| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.6 | Very low | 29.5 | Very low | 242 Ų | 242 | 148.7 Ų | 148.7 | 100% | 1.192 | 82% | 0.821 | S | S | * | * | 0 | 129.3 | 0 | -61.1 | 163.1 | 78.1 | 0 | 0 | 106.3 | |||||
| 2 | S | 29.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | cis | -160.3 | 124.6 | -1 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3 | S | 28.3 | Very low | 29.3 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | 70.2 | 156.3 | 143.1 | -49.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 4 | Y | 33.6 | Very low | 29.1 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | 81.6 | 137.5 | 169.3 | -58.6 | -74.4 | 0 | 0 | 0 | 118.7 | ||||
| 5 | S | 29.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | -179.3 | 131.2 | -67.2 | -86.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 6 | S | 29.3 | Very low | 29.2 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 70 | 155.3 | 157.1 | -64.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 7 | P | 34 | Very low | 29.3 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -124.5 | 169.1 | -150.5 | 41.6 | -28 | 0 | 0 | 0 | 115.7 | ||||
| 8 | R | 28.7 | Very low | 29.2 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -144.1 | 116.6 | 157 | -71.5 | -166.8 | 174 | -172.9 | -3.5 | 111.9 | ||||
| 9 | T | 26.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 33.8 | 115.3 | 146.5 | 56.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 10 | P | 29.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -109 | 120.1 | 143.2 | 33.5 | -22.5 | 0 | 0 | 0 | 110.9 | ||||
| 11 | N | 27.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -94.3 | 154.3 | 141.8 | -89.3 | 16.3 | 0 | 0 | 0 | 106.6 | ||||
| 12 | D | 26.9 | Very low | 29.1 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 69.7 | 134.9 | 169 | -48.3 | -45.7 | 0 | 0 | 0 | 117.7 | ||
| 13 | A | 29.6 | Very low | 29.2 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | 64.1 | 59.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | S15 | A13-S15 PolarHBondContact O-N 3.23Š| ||
| 14 | D | 26.6 | Very low | 29.2 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 96% | 0.963 | 74% | 0.735 | S | S | * | * | trans | -72.4 | 78 | 150.4 | -91.8 | -30.2 | 0 | 0 | 0 | 110.2 | ||||
| 15 | S | 28.9 | Very low | 29.4 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | -90.4 | 113.1 | 162.8 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | A13 M17 | A13-S15 PolarHBondContact O-N 3.23Å; S15-M17 PolarHBondContact O-N 3.14Å; S15-M17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | D | 30.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -51.7 | 119.7 | 174.8 | -99.9 | -30 | 0 | 0 | 0 | 109.2 | D18 | D16-D18 PolarHBondContact O-N 2.97Š| ||
| 17 | M | 30.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | trans | -70.2 | 117 | -171 | -79.9 | -153 | -58 | 0 | 0 | 112.4 | S15 F19 | S15-M17 PolarHBondContact O-N 3.14Å; S15-M17 VanDerWaalsContact O-N 3.14Å; M17-F19 VanDerWaalsContact C-N 3.34Å; M17-F19 HydrophobicContact CB-CD2 4.32Å; M17-F19 HydrophobicContact CB-CE2 4.28Å; M17-F19 HydrophobicContact CE-CE2 3.91Å; M17-F19 HydrophobicContact CE-CZ 3.92Å; M17-F19 WeakPolarHBondContact O-CD2 3.4Å; M17-F19 PolarHBondContact O-N 3.47Å | ||
| 18 | D | 27.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 121 Ų | 121 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | trans | -65.6 | 86.9 | 169.4 | -125.6 | -41.3 | 0 | 0 | 0 | 110.7 | D16 S20 I21 | D16-D18 PolarHBondContact O-N 2.97Å; D18-S20 PolarHBondContact O-N 3.15Å; D18-S20 PolarHBondContact OD1-OG 3.29Å; D18-I21 HydrophobicContact CB-CD1 4.33Å; D18-I21 HydrophobicContact CB-CG1 4.38Å; D18-I21 PolarHBondContact O-N 3.02Å | ||
| 19 | F | 29.6 | Very low | 32.3 | Very low | 172 Ų | 172 | 115.4 Ų | 115.4 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 18 | 173.4 | -89.6 | -82 | 0 | 0 | 0 | 113.9 | M17 | M17-F19 VanDerWaalsContact C-N 3.34Å; M17-F19 HydrophobicContact CB-CD2 4.32Å; M17-F19 HydrophobicContact CB-CE2 4.28Å; M17-F19 HydrophobicContact CE-CE2 3.91Å; M17-F19 HydrophobicContact CE-CZ 3.92Å; M17-F19 WeakPolarHBondContact O-CD2 3.4Å; M17-F19 PolarHBondContact O-N 3.47Å |
| 20 | S | 29.7 | Very low | 34 | Very low | 73 Ų | 73 | 109.3 Ų | 109.3 | 51% | 0.51 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | -23.6 | 172 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | D18 Y22 | D18-S20 PolarHBondContact O-N 3.15Å; D18-S20 PolarHBondContact OD1-OG 3.29Å; S20-Y22 PolarHBondContact O-N 3.15Å |
| 21 | I | 27.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 65% | 0.646 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 118.8 | -178.4 | -49.3 | 176.5 | 0 | 0 | 0 | 109.4 | D18 | D18-I21 HydrophobicContact CB-CD1 4.33Å; D18-I21 HydrophobicContact CB-CG1 4.38Å; D18-I21 PolarHBondContact O-N 3.02Å |
| 22 | Y | 27.4 | Very low | 37.1 | Very low | 228 Ų | 228 | 102.1 Ų | 102.1 | 89% | 0.894 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.6 | 37.3 | -171.9 | -66.1 | -80.1 | 0 | 0 | 0 | 117.9 | S20 | S20-Y22 PolarHBondContact O-N 3.15Š|
| 23 | S | 30.6 | Very low | 38.3 | Very low | 62 Ų | 62 | 99.6 Ų | 99.6 | 43% | 0.434 | 55% | 0.552 | S | S | . | * | trans | -83.8 | 123.8 | 143.3 | -73.8 | 0 | 0 | 0 | 0 | 109.8 | S25 | S23-S25 PolarHBondContact O-N 3Š| ||
| 24 | P | 29.9 | Very low | 39.2 | Very low | 78 Ų | 78 | 101.8 Ų | 101.8 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 35.3 | -179.5 | 33.5 | -37.2 | 0 | 0 | 0 | 113.3 | R499 | P24-R499 PolarHBondContact O-NH1 3.49Š|
| 25 | S | 37.1 | Very low | 40.2 | Very low | 41 Ų | 41 | 96.8 Ų | 96.8 | 29% | 0.287 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -14.4 | 176.8 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | S23 E27 E531 | S23-S25 PolarHBondContact O-N 3Å; S25-E27 PolarHBondContact O-N 3.46Å; S25-E531 WeakPolarHBondContact CB-OE1 3.37Å; S25-E531 PolarHBondContact OG-OE1 3.4Å |
| 26 | S | 35.7 | Very low | 40.7 | Very low | 119 Ų | 119 | 94.5 Ų | 94.5 | 83% | 0.832 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 37.5 | 173 | 68 | 0 | 0 | 0 | 0 | 112.8 | ||
| 27 | E | 43.8 | Very low | 40.8 | Very low | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 16.5 | -173.5 | -144.6 | -163.8 | -152.9 | 0 | 0 | 111.3 | S25 R494 R499 | S25-E27 PolarHBondContact O-N 3.46Å; E27-R494 VanDerWaalsContact CD-CZ 3.4Å; E27-R494 IonicContact OE1-CZ 2.87Å; E27-R494 IonicContact OE1-NE 2.74Å; E27-R494 IonicContact OE1-NH2 2.71Å; E27-R494 PolarHBondContact OE1-NH2 3.08Å; E27-R494 IonicContact OE2-CZ 2.71Å; E27-R494 IonicContact OE2-NE 3.66Å; E27-R494 PolarHBondContact OE2-NE 2.97Å; E27-R494 IonicContact OE2-NH2 2.72Å; E27-R499 IonicContact OE2-CZ 3.27Å; E27-R499 IonicContact OE2-NH1 3.42Å; E27-R499 PolarHBondContact OE2-NH1 3.3Å; E27-R499 IonicContact OE2-NH2 3.63Å; E27-R499 PolarHBondContact OE2-NH2 3.42Å |
| 28 | F | 49 | Very low | 40.9 | Very low | 20 Ų | 20 | 92.1 Ų | 92.1 | 9% | 0.088 | 48% | 0.48 | C | S | . | . | trans | -98.6 | 103.2 | 174.5 | -146.4 | -89.4 | 0 | 0 | 0 | 107.1 | L30 T491 L492 F495 P532 L535 | F28-L30 HydrophobicContact CD1-CB 4.31Å; F28-L30 HydrophobicContact CD1-CD1 4.4Å; F28-L30 HydrophobicContact CE1-CD1 4.01Å; F28-L30 PolarHBondContact O-N 3.26Å; F28-T491 HydrophobicContact CB-CG2 4.05Å; F28-T491 HydrophobicContact CD1-CG2 3.56Å; F28-T491 HydrophobicContact CD2-CG2 3.42Å; F28-T491 VanDerWaalsContact CD2-CG2 3.42Å; F28-T491 HydrophobicContact CE1-CG2 3.77Å; F28-T491 HydrophobicContact CE2-CG2 3.61Å; F28-T491 WeakPolarHBondContact CE2-O 3.29Å; F28-T491 HydrophobicContact CG-CG2 3.38Å; F28-T491 HydrophobicContact CZ-CG2 3.78Å; F28-L492 HydrophobicContact CZ-CD2 4.43Å; F28-F495 HydrophobicContact CD2-CB 3.91Å; F28-F495 HydrophobicContact CD2-CD1 4.45Å; F28-F495 HydrophobicContact CD2-CD2 4.47Å; F28-F495 HydrophobicContact CD2-CG 4.05Å; F28-F495 HydrophobicContact CE2-CB 3.67Å; F28-F495 HydrophobicContact CE2-CD1 4.19Å; F28-F495 HydrophobicContact CE2-CG 4.03Å; F28-P532 HydrophobicContact CB-CB 4.41Å; F28-P532 HydrophobicContact CD1-CB 3.94Å; F28-P532 HydrophobicContact CD2-CB 3.25Å; F28-P532 HydrophobicContact CD2-CG 4.02Å; F28-P532 HydrophobicContact CE1-CB 3.94Å; F28-P532 HydrophobicContact CE1-CG 4.12Å; F28-P532 HydrophobicContact CE2-CB 3.28Å; F28-P532 HydrophobicContact CE2-CG 3.48Å; F28-P532 VanDerWaalsContact CE2-CG 3.48Å; F28-P532 HydrophobicContact CG-CB 3.61Å; F28-P532 HydrophobicContact CZ-CB 3.64Å; F28-P532 HydrophobicContact CZ-CG 3.54Å; F28-L535 HydrophobicContact CE1-CB 4.44Å | ||
| 29 | D | 53.7 | Low | 41.1 | Very low | 119 Ų | 119 | 91.9 Ų | 91.9 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -74.7 | 36.5 | -164.1 | -151.9 | 40.4 | 0 | 0 | 0 | 113.8 | ||
| 30 | L | 61.7 | Low | 41.1 | Very low | 3 Ų | 3 | 86.6 Ų | 86.6 | 2% | 0.016 | 47% | 0.468 | C | S | . | . | trans | -128.6 | 72.6 | -177.2 | -66 | -179.3 | 0 | 0 | 0 | 110.4 | F28 F32 G112 L484 K487 L488 G534 | F28-L30 HydrophobicContact CD1-CB 4.31Å; F28-L30 HydrophobicContact CD1-CD1 4.4Å; F28-L30 HydrophobicContact CE1-CD1 4.01Å; F28-L30 PolarHBondContact O-N 3.26Å; L30-F32 HydrophobicContact CB-CD2 3.96Å; L30-F32 HydrophobicContact CB-CE2 3.85Å; L30-F32 HydrophobicContact CD1-CE2 4.18Å; L30-F32 HydrophobicContact CD2-CE2 4.34Å; L30-F32 HydrophobicContact CG-CE2 4.36Å; L30-F32 PolarHBondContact O-N 2.65Å; L30-G112 VanDerWaalsContact CA-O 3.27Å; L30-G112 WeakPolarHBondContact CA-O 3.25Å; L30-G112 WeakPolarHBondContact CD2-O 3.24Å; L30-L484 HydrophobicContact CD2-CD1 4.35Å; L30-K487 HydrophobicContact CD2-CB 4.32Å; L30-L488 HydrophobicContact CD1-CD2 3.67Å; L30-L488 HydrophobicContact CD1-CG 4.28Å; L30-G534 WeakPolarHBondContact O-CA 3.37Å | ||
| 31 | D | 60.2 | Low | 41 | Very low | 104 Ų | 104 | 86 Ų | 86 | 56% | 0.556 | 47% | 0.467 | S | S | * | . | trans | -76.4 | 70.5 | -179.4 | -88.2 | -31.5 | 0 | 0 | 0 | 112.2 | T33 | D31-T33 PolarHBondContact O-N 3.37Š| ||
| 32 | F | 62.2 | Low | 41 | Very low | 7 Ų | 7 | 87.2 Ų | 87.2 | 3% | 0.031 | 47% | 0.465 | C | S | . | . | trans | -75.4 | 31.6 | 170.2 | -72 | -57.7 | 0 | 0 | 0 | 113.2 | L30 F34 C108 L109 L484 G534 A537 L538 F541 | L30-F32 HydrophobicContact CB-CD2 3.96Å; L30-F32 HydrophobicContact CB-CE2 3.85Å; L30-F32 HydrophobicContact CD1-CE2 4.18Å; L30-F32 HydrophobicContact CD2-CE2 4.34Å; L30-F32 HydrophobicContact CG-CE2 4.36Å; L30-F32 PolarHBondContact O-N 2.65Å; F32-F34 PolarHBondContact O-N 2.92Å; F32-F34 VanDerWaalsContact O-N 3.1Å; F32-C108 HydrophobicContact CD1-CB 4.12Å; F32-C108 HydrophobicContact CE1-CB 4.11Å; F32-L109 HydrophobicContact CE1-CD2 4.26Å; F32-L109 HydrophobicContact CZ-CD2 4.41Å; F32-L484 HydrophobicContact CZ-CD1 4.07Å; F32-G534 VanDerWaalsContact CD2-O 3.31Å; F32-G534 WeakPolarHBondContact CD2-O 3.48Å; F32-A537 HydrophobicContact CB-CB 3.68Å; F32-L538 HydrophobicContact CD2-CB 4.43Å; F32-L538 HydrophobicContact CE2-CB 4.17Å; F32-L538 HydrophobicContact CZ-CD1 4.46Å; F32-F541 HydrophobicContact CB-CE2 3.86Å; F32-F541 HydrophobicContact CD1-CD2 4.32Å; F32-F541 AromaticContact CD1-CE2 3.79Å; F32-F541 HydrophobicContact CD1-CE2 3.79Å; F32-F541 HydrophobicContact CG-CE2 4.04Å | ||
| 33 | T | 53.1 | Low | 41.2 | Very low | 97 Ų | 97 | 81.7 Ų | 81.7 | 60% | 0.595 | 45% | 0.451 | S | S | * | . | trans | -68.7 | 111.5 | -172.2 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | D31 R35 W104 | D31-T33 PolarHBondContact O-N 3.37Å; T33-R35 PolarHBondContact O-N 2.64Å; T33-W104 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 34 | F | 46.8 | Very low | 41.2 | Very low | 138 Ų | 138 | 84.4 Ų | 84.4 | 61% | 0.605 | 45% | 0.454 | S | S | * | . | trans | -62.6 | 125.2 | -167.3 | -165.1 | -138.4 | 0 | 0 | 0 | 113.4 | F32 S36 W104 F541 | F32-F34 PolarHBondContact O-N 2.92Å; F32-F34 VanDerWaalsContact O-N 3.1Å; F34-S36 WeakPolarHBondContact CD1-OG 3.41Å; F34-S36 WeakPolarHBondContact CE1-OG 3.26Å; F34-S36 VanDerWaalsContact CE2-OG 3.26Å; F34-S36 WeakPolarHBondContact CE2-OG 3.46Å; F34-S36 WeakPolarHBondContact CZ-OG 3.33Å; F34-S36 PolarHBondContact O-N 2.96Å; F34-S36 VanDerWaalsContact O-N 3.15Å; F34-W104 HydrophobicContact CD2-CZ3 4.42Å; F34-F541 AromaticContact CD2-CE1 3.89Å; F34-F541 HydrophobicContact CD2-CE1 3.89Å; F34-F541 HydrophobicContact CD2-CZ 4.26Å; F34-F541 HydrophobicContact CE2-CE1 4.02Å | ||
| 35 | R | 48 | Very low | 41.3 | Very low | 76 Ų | 76 | 88.1 Ų | 88.1 | 29% | 0.287 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -66.2 | -16.3 | -175.4 | -144.1 | -179.6 | -157 | -143.7 | 5 | 114 | T33 L37 K38 E121 | T33-R35 PolarHBondContact O-N 2.64Å; R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 PolarHBondContact O-N 3.22Å; R35-K38 PolarHBondContact O-N 2.87Å; R35-E121 IonicContact CZ-OE2 3.26Å; R35-E121 IonicContact NH2-OE2 3.12Å; R35-E121 PolarHBondContact NH2-OE2 2.83Å |
| 36 | S | 40.3 | Very low | 41.2 | Very low | 47 Ų | 47 | 91.4 Ų | 91.4 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -74.3 | 6.3 | -157.7 | -47.3 | 0 | 0 | 0 | 0 | 117.6 | F34 | F34-S36 WeakPolarHBondContact CD1-OG 3.41Å; F34-S36 WeakPolarHBondContact CE1-OG 3.26Å; F34-S36 VanDerWaalsContact CE2-OG 3.26Å; F34-S36 WeakPolarHBondContact CE2-OG 3.46Å; F34-S36 WeakPolarHBondContact CZ-OG 3.33Å; F34-S36 PolarHBondContact O-N 2.96Å; F34-S36 VanDerWaalsContact O-N 3.15Å |
| 37 | L | 32.3 | Very low | 41.2 | Very low | 104 Ų | 104 | 89.8 Ų | 89.8 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -81.6 | -31.9 | 160.8 | -120.5 | 70 | 0 | 0 | 0 | 111.7 | R35 K39 G40 | R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 PolarHBondContact O-N 3.22Å; L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 3.19Å; L37-G40 PolarHBondContact O-N 3.45Å |
| 38 | K | 32.2 | Very low | 40.9 | Very low | 127 Ų | 127 | 91.6 Ų | 91.6 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -66.4 | -29.9 | -174.6 | -70.2 | -175.5 | 175.6 | 179.6 | 0 | 113.8 | R35 G40 A41 Y42 | R35-K38 PolarHBondContact O-N 2.87Å; K38-G40 PolarHBondContact O-N 2.91Å; K38-G40 VanDerWaalsContact O-N 3.07Å; K38-A41 PolarHBondContact O-N 3.41Å; K38-Y42 PolarHBondContact O-N 3.42Å |
| 39 | K | 33.2 | Very low | 40 | Very low | 110 Ų | 110 | 97 Ų | 97 | 48% | 0.478 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -66.4 | -1.6 | 176.8 | -87.1 | 179.6 | 173.5 | 170.8 | 0 | 114.4 | L37 D99 D101 | L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 3.19Å; K39-D99 IonicContact NZ-OD1 2.66Å; K39-D101 IonicContact NZ-OD1 2.73Å; K39-D101 PolarHBondContact NZ-OD1 3.25Å; K39-D101 IonicContact NZ-OD2 3.99Å; K39-D101 PolarHBondContact NZ-OD2 3.38Å |
| 40 | G | 29 | Very low | 39.2 | Very low | 61 Ų | 61 | 100.1 Ų | 100.1 | 63% | 0.629 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -86.1 | -23.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L37 K38 | L37-G40 PolarHBondContact O-N 3.45Å; K38-G40 PolarHBondContact O-N 2.91Å; K38-G40 VanDerWaalsContact O-N 3.07Å |
| 41 | A | 28.2 | Very low | 38 | Very low | 60 Ų | 60 | 105.9 Ų | 105.9 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -11.7 | -169 | 0 | 0 | 0 | 0 | 0 | 115.4 | K38 | K38-A41 PolarHBondContact O-N 3.41Š|
| 42 | Y | 26.9 | Very low | 36.9 | Very low | 153 Ų | 153 | 108 Ų | 108 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -122.1 | 141.4 | 174.1 | -78.8 | -98.2 | 0 | 0 | 0 | 110.2 | K38 K44 | K38-Y42 PolarHBondContact O-N 3.42Å; Y42-K44 VanDerWaalsContact C-N 3.29Å; Y42-K44 PolarHBondContact O-N 3.43Å; Y42-K44 VanDerWaalsContact O-N 3.08Å |
| 43 | N | 30.6 | Very low | 35.8 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 60% | 0.599 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 68.7 | -18.8 | 174.2 | -54.9 | 3.9 | 0 | 0 | 0 | 118.4 | E45 E46 D47 | N43-E45 PolarHBondContact O-N 2.91Å; N43-E46 PolarHBondContact O-N 3.33Å; N43-D47 PolarHBondContact O-N 3.43Å |
| 44 | K | 32.2 | Very low | 35.3 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.1 | -29.6 | 176.6 | -125.2 | -178 | -177.2 | -173.3 | 0 | 112.6 | Y42 L48 E1031 | Y42-K44 VanDerWaalsContact C-N 3.29Å; Y42-K44 PolarHBondContact O-N 3.43Å; Y42-K44 VanDerWaalsContact O-N 3.08Å; K44-L48 WeakPolarHBondContact O-CB 3.27Å; K44-L48 WeakPolarHBondContact O-CD1 3.41Å; K44-L48 WeakPolarHBondContact O-CG 3.48Å; K44-L48 PolarHBondContact O-N 3.02Å; K44-E1031 IonicContact NZ-OE1 3.19Å; K44-E1031 PolarHBondContact NZ-OE1 3.12Å |
| 45 | E | 30.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.5 | -34.5 | 171.2 | -66.2 | -168.5 | 147 | 0 | 0 | 113.5 | N43 N49 | N43-E45 PolarHBondContact O-N 2.91Å; E45-N49 WeakPolarHBondContact O-CB 3.35Å; E45-N49 PolarHBondContact O-N 3.43Å; E45-N49 PolarHBondContact O-ND2 3.38Å |
| 46 | E | 34.6 | Very low | 37.3 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.6 | -38 | 172 | -76.5 | -147 | 176.4 | 0 | 0 | 111.5 | N43 N49 R50 | N43-E46 PolarHBondContact O-N 3.33Å; E46-N49 CarbonylContact O-C 3.56Å; E46-N49 PolarHBondContact O-N 2.82Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 3.35Å; E46-R50 IonicContact OE2-CZ 3.68Å; E46-R50 IonicContact OE2-NE 3.99Å; E46-R50 IonicContact OE2-NH2 3.43Å; E46-R50 PolarHBondContact OE2-NH2 3.38Å; E46-R50 VanDerWaalsContact OE2-NH2 3.09Å |
| 47 | D | 36.8 | Very low | 39.3 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.4 | -32 | 175.1 | -85.1 | -23.3 | 0 | 0 | 0 | 112.7 | N43 R50 K51 | N43-D47 PolarHBondContact O-N 3.43Å; D47-R50 PolarHBondContact O-N 3.01Å; D47-K51 VanDerWaalsContact O-CB 3.24Å; D47-K51 WeakPolarHBondContact O-CB 2.98Å; D47-K51 VanDerWaalsContact O-CG 3.24Å; D47-K51 WeakPolarHBondContact O-CG 3.23Å; D47-K51 PolarHBondContact O-N 2.75Å |
| 48 | L | 36.5 | Very low | 42 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.5 | -35.8 | 169.9 | -75.9 | 166.7 | 0 | 0 | 0 | 111.8 | K44 | K44-L48 WeakPolarHBondContact O-CB 3.27Å; K44-L48 WeakPolarHBondContact O-CD1 3.41Å; K44-L48 WeakPolarHBondContact O-CG 3.48Å; K44-L48 PolarHBondContact O-N 3.02Å |
| 49 | N | 30.6 | Very low | 44.8 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.1 | -21.9 | 174.4 | -77.2 | -66.3 | 0 | 0 | 0 | 113.8 | E45 E46 | E45-N49 WeakPolarHBondContact O-CB 3.35Å; E45-N49 PolarHBondContact O-N 3.43Å; E45-N49 PolarHBondContact O-ND2 3.38Å; E46-N49 CarbonylContact O-C 3.56Å; E46-N49 PolarHBondContact O-N 2.82Å |
| 50 | R | 37.8 | Very low | 47.6 | Very low | 184 Ų | 184 | 117.7 Ų | 117.7 | 69% | 0.694 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -86.9 | -28.7 | 172.4 | -72.5 | 179.1 | -170.1 | -159.8 | 10.5 | 112.9 | E46 D47 H52 | E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 3.35Å; E46-R50 IonicContact OE2-CZ 3.68Å; E46-R50 IonicContact OE2-NE 3.99Å; E46-R50 IonicContact OE2-NH2 3.43Å; E46-R50 PolarHBondContact OE2-NH2 3.38Å; E46-R50 VanDerWaalsContact OE2-NH2 3.09Å; D47-R50 PolarHBondContact O-N 3.01Å; R50-H52 VanDerWaalsContact C-N 3.25Å; R50-H52 PolarHBondContact O-N 3.48Å |
| 51 | K | 36.3 | Very low | 50.5 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | trans | -76.8 | 76.2 | 169.8 | -72.9 | 174.6 | -178.1 | 174.9 | 0 | 110.7 | D47 F53 | D47-K51 VanDerWaalsContact O-CB 3.24Å; D47-K51 WeakPolarHBondContact O-CB 2.98Å; D47-K51 VanDerWaalsContact O-CG 3.24Å; D47-K51 WeakPolarHBondContact O-CG 3.23Å; D47-K51 PolarHBondContact O-N 2.75Å; K51-F53 HydrophobicContact CB-CD2 3.87Å; K51-F53 HydrophobicContact CB-CE2 3.72Å; K51-F53 HydrophobicContact CD-CE2 4Å; K51-F53 HydrophobicContact CD-CZ 4.23Å; K51-F53 HydrophobicContact CG-CE2 4.4Å; K51-F53 WeakPolarHBondContact O-CD2 3.36Å; K51-F53 PolarHBondContact O-N 3.24Å | ||
| 52 | H | 36.3 | Very low | 53.5 | Low | 148 Ų | 148 | 117.7 Ų | 117.7 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | trans | -59.4 | 90.8 | 156.1 | -94 | -63.1 | 0 | 0 | 0 | 109.3 | R50 N54 | R50-H52 VanDerWaalsContact C-N 3.25Å; R50-H52 PolarHBondContact O-N 3.48Å; H52-N54 PolarHBondContact ND1-ND2 3.24Å; H52-N54 PolarHBondContact O-N 3.27Å | ||
| 53 | F | 38.7 | Very low | 56.6 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 74% | 0.737 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 34.4 | 172.5 | -84.2 | -80.5 | 0 | 0 | 0 | 112.8 | K51 | K51-F53 HydrophobicContact CB-CD2 3.87Å; K51-F53 HydrophobicContact CB-CE2 3.72Å; K51-F53 HydrophobicContact CD-CE2 4Å; K51-F53 HydrophobicContact CD-CZ 4.23Å; K51-F53 HydrophobicContact CG-CE2 4.4Å; K51-F53 WeakPolarHBondContact O-CD2 3.36Å; K51-F53 PolarHBondContact O-N 3.24Å |
| 54 | N | 43.5 | Very low | 59.5 | Low | 132 Ų | 132 | 108.7 Ų | 108.7 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -1.1 | -168.2 | -68.7 | 4.9 | 0 | 0 | 0 | 113.9 | H52 | H52-N54 PolarHBondContact ND1-ND2 3.24Å; H52-N54 PolarHBondContact O-N 3.27Å |
| 55 | S | 58.1 | Low | 62.4 | Low | 96 Ų | 96 | 106.1 Ų | 106.1 | 67% | 0.671 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -157.7 | 140.1 | 165.2 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 56 | P | 77.7 | Confident | 65.3 | Low | 121 Ų | 121 | 100 Ų | 100 | 79% | 0.786 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150.8 | 166.7 | 29.3 | -34.6 | 0 | 0 | 0 | 110.6 | ||
| 57 | E | 83.2 | Confident | 68 | Low | 95 Ų | 95 | 96.9 Ų | 96.9 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 153.1 | 170.5 | -66.8 | -173.7 | 152 | 0 | 0 | 110.9 | V61 L62 K65 | E57-V61 HydrophobicContact CB-CG1 4.44Å; E57-L62 HydrophobicContact CB-CD2 4.09Å; E57-L62 HydrophobicContact CB-CG 4.05Å; E57-L62 WeakPolarHBondContact OE2-CD2 3.38Å; E57-K65 IonicContact OE1-NZ 3.39Å; E57-K65 PolarHBondContact OE1-NZ 2.79Å; E57-K65 IonicContact OE2-NZ 3.96Å; E57-K65 PolarHBondContact OE2-NZ 3.48Å |
| 58 | S | 89.7 | Confident | 70.6 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 145.8 | 177.4 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | L60 V61 L62 | S58-L60 PolarHBondContact O-N 2.96Å; S58-V61 PolarHBondContact O-N 3.15Å; S58-V61 PolarHBondContact OG-N 3.29Å; S58-L62 PolarHBondContact O-N 3.45Å |
| 59 | L | 91.2 | Very high | 73.1 | Confident | 136 Ų | 136 | 90.8 Ų | 90.8 | 71% | 0.712 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -54 | -30.9 | 176.6 | -178.3 | 61.5 | 0 | 0 | 0 | 112 | T63 | L59-T63 VanDerWaalsContact O-CB 3.23Å; L59-T63 WeakPolarHBondContact O-CB 3.36Å; L59-T63 PolarHBondContact O-N 2.99Å; L59-T63 PolarHBondContact O-OG1 2.97Å |
| 60 | L | 91.1 | Very high | 75.8 | Confident | 96 Ų | 96 | 90.1 Ų | 90.1 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.2 | -177.5 | 154.2 | 0 | 0 | 0 | 112.3 | S58 A64 L87 L90 | S58-L60 PolarHBondContact O-N 2.96Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.25Å; L60-L87 HydrophobicContact CD1-CD2 3.99Å; L60-L87 HydrophobicContact CD2-CD2 3.91Å; L60-L87 HydrophobicContact CG-CD2 3.95Å; L60-L90 HydrophobicContact CD2-CD2 3.4Å; L60-L90 VanDerWaalsContact CD2-CD2 3.4Å |
| 61 | V | 90.9 | Very high | 78.1 | Confident | 33 Ų | 33 | 86.7 Ų | 86.7 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | E57 S58 T63 A64 K65 L90 | E57-V61 HydrophobicContact CB-CG1 4.44Å; S58-V61 PolarHBondContact O-N 3.15Å; S58-V61 PolarHBondContact OG-N 3.29Å; V61-T63 VanDerWaalsContact C-N 3.32Å; V61-T63 PolarHBondContact O-N 2.82Å; V61-A64 PolarHBondContact O-N 3.44Å; V61-K65 HydrophobicContact CG1-CD 4.3Å; V61-K65 WeakPolarHBondContact O-CG 3.26Å; V61-K65 PolarHBondContact O-N 3.08Å; V61-L90 HydrophobicContact CG2-CD2 4.37Å |
| 62 | L | 90.7 | Very high | 80.7 | Confident | 88 Ų | 88 | 81.4 Ų | 81.4 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.3 | -66.2 | 172.5 | 0 | 0 | 0 | 111.8 | E57 S58 G66 | E57-L62 HydrophobicContact CB-CD2 4.09Å; E57-L62 HydrophobicContact CB-CG 4.05Å; E57-L62 WeakPolarHBondContact OE2-CD2 3.38Å; S58-L62 PolarHBondContact O-N 3.45Å; L62-G66 PolarHBondContact O-N 2.89Å |
| 63 | T | 91.6 | Very high | 83.1 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 44% | 0.436 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | L59 V61 K65 G66 I67 | L59-T63 VanDerWaalsContact O-CB 3.23Å; L59-T63 WeakPolarHBondContact O-CB 3.36Å; L59-T63 PolarHBondContact O-N 2.99Å; L59-T63 PolarHBondContact O-OG1 2.97Å; V61-T63 VanDerWaalsContact C-N 3.32Å; V61-T63 PolarHBondContact O-N 2.82Å; T63-K65 PolarHBondContact O-N 3.01Å; T63-G66 PolarHBondContact O-N 3.49Å; T63-I67 HydrophobicContact CG2-CD1 3.95Å; T63-I67 HydrophobicContact CG2-CG1 4.48Å; T63-I67 WeakPolarHBondContact O-CG1 3.45Å; T63-I67 PolarHBondContact O-N 2.93Å |
| 64 | A | 92.1 | Very high | 85.5 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L60 V61 I67 A68 L90 I91 | L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.25Å; V61-A64 PolarHBondContact O-N 3.44Å; A64-I67 PolarHBondContact O-N 3.24Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 2.76Å; A64-L90 HydrophobicContact CB-CB 4.47Å; A64-L90 HydrophobicContact CB-CD2 3.65Å; A64-L90 HydrophobicContact CB-CG 3.7Å; A64-I91 HydrophobicContact CB-CG1 4.21Å |
| 65 | K | 92.3 | Very high | 87.5 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 170.8 | -72.8 | 177.5 | -179.7 | -179.6 | 0 | 112.2 | E57 V61 T63 A68 L69 H94 | E57-K65 IonicContact OE1-NZ 3.39Å; E57-K65 PolarHBondContact OE1-NZ 2.79Å; E57-K65 IonicContact OE2-NZ 3.96Å; E57-K65 PolarHBondContact OE2-NZ 3.48Å; V61-K65 HydrophobicContact CG1-CD 4.3Å; V61-K65 WeakPolarHBondContact O-CG 3.26Å; V61-K65 PolarHBondContact O-N 3.08Å; T63-K65 PolarHBondContact O-N 3.01Å; K65-A68 PolarHBondContact O-N 3.3Å; K65-L69 WeakPolarHBondContact O-CB 3.28Å; K65-L69 PolarHBondContact O-N 2.89Å; K65-L69 VanDerWaalsContact O-N 3.13Å; K65-H94 VanDerWaalsContact CE-CE1 3.46Å; K65-H94 WeakPolarHBondContact CE-CE1 3.21Å; K65-H94 HydrophobicContact CG-CB 4.08Å |
| 66 | G | 91.4 | Very high | 88.8 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L62 T63 L69 H70 | L62-G66 PolarHBondContact O-N 2.89Å; T63-G66 PolarHBondContact O-N 3.49Å; G66-L69 PolarHBondContact O-N 3.23Å; G66-H70 PolarHBondContact O-N 3.36Å; G66-H70 PolarHBondContact O-ND1 3.39Å |
| 67 | I | 91.8 | Very high | 89 | Confident | 45 Ų | 45 | 61 Ų | 61 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -51.6 | 175.5 | -66.8 | 165.9 | 0 | 0 | 0 | 110.5 | T63 A64 L69 H70 F71 V76 I91 | T63-I67 HydrophobicContact CG2-CD1 3.95Å; T63-I67 HydrophobicContact CG2-CG1 4.48Å; T63-I67 WeakPolarHBondContact O-CG1 3.45Å; T63-I67 PolarHBondContact O-N 2.93Å; A64-I67 PolarHBondContact O-N 3.24Å; I67-L69 PolarHBondContact O-N 3.04Å; I67-H70 PolarHBondContact O-N 2.9Å; I67-H70 VanDerWaalsContact O-N 3.16Å; I67-F71 PolarHBondContact O-N 3.11Å; I67-V76 HydrophobicContact CG2-CG2 3.75Å; I67-I91 HydrophobicContact CD1-CD1 4.36Å; I67-I91 HydrophobicContact CG2-CD1 4.06Å; I67-I91 HydrophobicContact CG2-CG1 4.28Å; I67-I91 HydrophobicContact CG2-CG2 4.06Å |
| 68 | A | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -11.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A64 K65 I91 H94 S95 R242 | A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 2.76Å; K65-A68 PolarHBondContact O-N 3.3Å; A68-I91 HydrophobicContact CB-CG2 4.17Å; A68-I91 WeakPolarHBondContact CB-O 3.49Å; A68-H94 HydrophobicContact CB-CB 3.8Å; A68-S95 WeakPolarHBondContact CB-OG 3.45Å; A68-R242 WeakPolarHBondContact O-CA 3.43Å |
| 69 | L | 88.6 | Confident | 88.6 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -99.9 | -32.6 | 175.7 | 178.1 | 58.9 | 0 | 0 | 0 | 112.9 | K65 G66 I67 Q243 | K65-L69 WeakPolarHBondContact O-CB 3.28Å; K65-L69 PolarHBondContact O-N 2.89Å; K65-L69 VanDerWaalsContact O-N 3.13Å; G66-L69 PolarHBondContact O-N 3.23Å; I67-L69 PolarHBondContact O-N 3.04Å; L69-Q243 HydrophobicContact CD1-CB 4.47Å; L69-Q243 HydrophobicContact CD1-CG 4.4Å |
| 70 | H | 86.5 | Confident | 88 | Confident | 122 Ų | 122 | 59.3 Ų | 59.3 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -109.7 | -33.3 | -167.9 | -60.5 | 91.4 | 0 | 0 | 0 | 114.7 | G66 I67 | G66-H70 PolarHBondContact O-N 3.36Å; G66-H70 PolarHBondContact O-ND1 3.39Å; I67-H70 PolarHBondContact O-N 2.9Å; I67-H70 VanDerWaalsContact O-N 3.16Å |
| 71 | F | 88.1 | Confident | 87.6 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -112.6 | 134.8 | -170 | -59.6 | -65.7 | 0 | 0 | 0 | 112.4 | I67 V75 | I67-F71 PolarHBondContact O-N 3.11Å; F71-V75 HydrophobicContact CB-CB 4.28Å; F71-V75 HydrophobicContact CB-CG1 4.42Å; F71-V75 HydrophobicContact CB-CG2 4.42Å |
| 72 | P | 89 | Confident | 87.1 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | trans | -63.1 | 148.6 | 167.2 | 24.6 | -29.2 | 0 | 0 | 0 | 110.4 | E74 V75 G469 L471 | P72-E74 PolarHBondContact O-N 3.14Å; P72-V75 HydrophobicContact CG-CG2 4.04Å; P72-V75 WeakPolarHBondContact O-CB 3.4Å; P72-V75 PolarHBondContact O-N 3.06Å; P72-G469 WeakPolarHBondContact CB-O 3.28Å; P72-L471 HydrophobicContact CG-CD2 4.26Å | ||
| 73 | F | 88.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.8 | -170.6 | -168.1 | -109.2 | 0 | 0 | 0 | 113.7 | V75 V76 E77 Q88 I91 F137 P408 V467 | F73-V75 PolarHBondContact O-N 3.44Å; F73-V75 VanDerWaalsContact O-N 3.16Å; F73-V76 HydrophobicContact CD2-CB 3.94Å; F73-V76 HydrophobicContact CD2-CG1 4.4Å; F73-V76 HydrophobicContact CD2-CG2 4.02Å; F73-V76 HydrophobicContact CE2-CB 3.99Å; F73-V76 HydrophobicContact CE2-CG1 3.97Å; F73-V76 HydrophobicContact CE2-CG2 4.39Å; F73-V76 HydrophobicContact CZ-CG1 4.5Å; F73-V76 WeakPolarHBondContact O-CA 3.17Å; F73-V76 VanDerWaalsContact O-CB 3.29Å; F73-V76 WeakPolarHBondContact O-CB 3.48Å; F73-V76 PolarHBondContact O-N 3.02Å; F73-E77 HydrophobicContact CD1-CG 3.65Å; F73-E77 HydrophobicContact CE1-CG 3.47Å; F73-E77 VanDerWaalsContact CE1-CG 3.47Å; F73-E77 WeakPolarHBondContact CE1-OE1 3.37Å; F73-E77 HydrophobicContact CZ-CG 4.33Å; F73-E77 PolarHBondContact O-N 2.85Å; F73-Q88 HydrophobicContact CE2-CB 4.43Å; F73-Q88 HydrophobicContact CZ-CB 3.97Å; F73-Q88 HydrophobicContact CZ-CG 3.98Å; F73-I91 HydrophobicContact CD2-CG2 4.17Å; F73-I91 HydrophobicContact CE2-CG2 4.34Å; F73-F137 HydrophobicContact CB-CD2 4.46Å; F73-F137 HydrophobicContact CB-CE1 4.32Å; F73-F137 HydrophobicContact CB-CE2 3.71Å; F73-F137 HydrophobicContact CB-CZ 3.63Å; F73-F137 AromaticContact CD1-CE2 3.8Å; F73-F137 HydrophobicContact CD1-CE2 3.8Å; F73-F137 HydrophobicContact CD1-CZ 4.46Å; F73-F137 AromaticContact CD2-CE2 3.45Å; F73-F137 HydrophobicContact CD2-CE2 3.45Å; F73-F137 VanDerWaalsContact CD2-CE2 3.45Å; F73-F137 AromaticContact CD2-CZ 3.39Å; F73-F137 HydrophobicContact CD2-CZ 3.39Å; F73-F137 HydrophobicContact CE1-CE2 4.25Å; F73-F137 AromaticContact CE2-CE2 3.94Å; F73-F137 HydrophobicContact CE2-CE2 3.94Å; F73-F137 HydrophobicContact CE2-CZ 4.13Å; F73-F137 HydrophobicContact CG-CD2 4.34Å; F73-F137 AromaticContact CG-CE2 3.36Å; F73-F137 HydrophobicContact CG-CE2 3.36Å; F73-F137 AromaticContact CG-CZ 3.58Å; F73-F137 HydrophobicContact CG-CZ 3.58Å; F73-F137 HydrophobicContact CZ-CE2 4.31Å; F73-P408 HydrophobicContact CE1-CG 4Å; F73-P408 HydrophobicContact CZ-CG 4.48Å; F73-V467 HydrophobicContact CD1-CG1 4.23Å |
| 74 | E | 87.3 | Confident | 86.5 | Confident | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.8 | -28.4 | 172.3 | -172.5 | 179.8 | 176.4 | 0 | 0 | 112.7 | P72 V76 E77 S78 A470 L471 | P72-E74 PolarHBondContact O-N 3.14Å; E74-V76 VanDerWaalsContact C-N 3.25Å; E74-V76 PolarHBondContact O-N 3.3Å; E74-E77 PolarHBondContact O-N 2.8Å; E74-S78 VanDerWaalsContact O-CB 3.25Å; E74-S78 WeakPolarHBondContact O-CB 3.21Å; E74-S78 PolarHBondContact O-N 3.18Å; E74-S78 PolarHBondContact O-OG 2.99Å; E74-A470 WeakPolarHBondContact OE2-CA 3.34Å; E74-A470 WeakPolarHBondContact OE2-CB 3.22Å; E74-L471 HydrophobicContact CB-CG 4.21Å; E74-L471 HydrophobicContact CG-CD1 4.02Å; E74-L471 HydrophobicContact CG-CG 4.08Å; E74-L471 WeakPolarHBondContact OE2-CB 3.4Å; E74-L471 PolarHBondContact OE2-N 3.38Å |
| 75 | V | 86.1 | Confident | 86.2 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -30.9 | 171.9 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | F71 P72 F73 L471 | F71-V75 HydrophobicContact CB-CB 4.28Å; F71-V75 HydrophobicContact CB-CG1 4.42Å; F71-V75 HydrophobicContact CB-CG2 4.42Å; P72-V75 HydrophobicContact CG-CG2 4.04Å; P72-V75 WeakPolarHBondContact O-CB 3.4Å; P72-V75 PolarHBondContact O-N 3.06Å; F73-V75 PolarHBondContact O-N 3.44Å; F73-V75 VanDerWaalsContact O-N 3.16Å; V75-L471 HydrophobicContact CG2-CD2 3.63Å |
| 76 | V | 86 | Confident | 86 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81.1 | -38.4 | 179.1 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | I67 F73 E74 S79 V83 I91 | I67-V76 HydrophobicContact CG2-CG2 3.75Å; F73-V76 HydrophobicContact CD2-CB 3.94Å; F73-V76 HydrophobicContact CD2-CG1 4.4Å; F73-V76 HydrophobicContact CD2-CG2 4.02Å; F73-V76 HydrophobicContact CE2-CB 3.99Å; F73-V76 HydrophobicContact CE2-CG1 3.97Å; F73-V76 HydrophobicContact CE2-CG2 4.39Å; F73-V76 HydrophobicContact CZ-CG1 4.5Å; F73-V76 WeakPolarHBondContact O-CA 3.17Å; F73-V76 VanDerWaalsContact O-CB 3.29Å; F73-V76 WeakPolarHBondContact O-CB 3.48Å; F73-V76 PolarHBondContact O-N 3.02Å; E74-V76 VanDerWaalsContact C-N 3.25Å; E74-V76 PolarHBondContact O-N 3.3Å; V76-S79 WeakPolarHBondContact O-CB 3.45Å; V76-V83 HydrophobicContact CG1-CB 4.23Å; V76-V83 HydrophobicContact CG1-CG1 4.06Å; V76-V83 HydrophobicContact CG1-CG2 3.88Å; V76-I91 HydrophobicContact CG1-CD1 3.93Å; V76-I91 HydrophobicContact CG2-CD1 4.31Å |
| 77 | E | 81.8 | Confident | 85.9 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.8 | -36.7 | 176.1 | -64 | -168.2 | 137.8 | 0 | 0 | 113.1 | F73 E74 S79 V467 | F73-E77 HydrophobicContact CD1-CG 3.65Å; F73-E77 HydrophobicContact CE1-CG 3.47Å; F73-E77 VanDerWaalsContact CE1-CG 3.47Å; F73-E77 WeakPolarHBondContact CE1-OE1 3.37Å; F73-E77 HydrophobicContact CZ-CG 4.33Å; F73-E77 PolarHBondContact O-N 2.85Å; E74-E77 PolarHBondContact O-N 2.8Å; E77-S79 PolarHBondContact O-N 2.82Å; E77-V467 VanDerWaalsContact OE1-CG2 3.32Å; E77-V467 WeakPolarHBondContact OE1-CG2 3.03Å |
| 78 | S | 82.5 | Confident | 85.8 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 2.8 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | E74 | E74-S78 VanDerWaalsContact O-CB 3.25Å; E74-S78 WeakPolarHBondContact O-CB 3.21Å; E74-S78 PolarHBondContact O-N 3.18Å; E74-S78 PolarHBondContact O-OG 2.99Å |
| 79 | S | 82 | Confident | 85.8 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | trans | -56 | 133.4 | 172.7 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | V76 E77 V81 | V76-S79 WeakPolarHBondContact O-CB 3.45Å; E77-S79 PolarHBondContact O-N 2.82Å; S79-V81 WeakPolarHBondContact CB-O 3.4Å; S79-V81 PolarHBondContact O-N 3.12Å; S79-V81 VanDerWaalsContact O-N 3.12Å; S79-V81 PolarHBondContact OG-N 2.67Å; S79-V81 VanDerWaalsContact OG-N 3.11Å; S79-V81 PolarHBondContact OG-O 2.92Å | ||
| 80 | P | 79.2 | Confident | 86 | Confident | 137 Ų | 137 | 68.2 Ų | 68.2 | 89% | 0.89 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -68.8 | -7.5 | 173.5 | 30.8 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 81 | V | 82 | Confident | 86.3 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 62% | 0.624 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -111.9 | 122.6 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | S79 V83 | S79-V81 WeakPolarHBondContact CB-O 3.4Å; S79-V81 PolarHBondContact O-N 3.12Å; S79-V81 VanDerWaalsContact O-N 3.12Å; S79-V81 PolarHBondContact OG-N 2.67Å; S79-V81 VanDerWaalsContact OG-N 3.11Å; S79-V81 PolarHBondContact OG-O 2.92Å; V81-V83 PolarHBondContact O-N 2.97Å; V81-V83 VanDerWaalsContact O-N 3.11Å |
| 82 | T | 80 | Confident | 86.5 | Confident | 134 Ų | 134 | 57.5 Ų | 57.5 | 82% | 0.822 | 32% | 0.324 | S | S | * | . | trans | -58.9 | 112 | 177 | 52.2 | 0 | 0 | 0 | 0 | 111 | P84 | T82-P84 WeakPolarHBondContact O-CD 3.37Š| ||
| 83 | V | 83 | Confident | 86.7 | Confident | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | trans | -78.4 | 120.4 | -176.5 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | V76 V81 L87 Q88 | V76-V83 HydrophobicContact CG1-CB 4.23Å; V76-V83 HydrophobicContact CG1-CG1 4.06Å; V76-V83 HydrophobicContact CG1-CG2 3.88Å; V81-V83 PolarHBondContact O-N 2.97Å; V81-V83 VanDerWaalsContact O-N 3.11Å; V83-L87 HydrophobicContact CG1-CB 3.81Å; V83-L87 HydrophobicContact CG1-CD1 4.4Å; V83-Q88 HydrophobicContact CB-CG 4.45Å; V83-Q88 HydrophobicContact CG1-CG 4.1Å; V83-Q88 PolarHBondContact O-NE2 3.01Å | ||
| 84 | P | 86.9 | Confident | 86.9 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | trans | -56.1 | 145.9 | -179.8 | -27.9 | 35.5 | 0 | 0 | 0 | 113.9 | T82 E86 L87 Q88 | T82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-E86 PolarHBondContact O-N 3.21Å; P84-E86 VanDerWaalsContact O-N 3.16Å; P84-L87 WeakPolarHBondContact O-CB 3.44Å; P84-L87 PolarHBondContact O-N 3.21Å; P84-Q88 PolarHBondContact O-N 3.48Å; P84-Q88 VanDerWaalsContact O-N 3.11Å | ||
| 85 | E | 86.2 | Confident | 87.2 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.4 | -35.3 | -176.3 | -160.7 | -169.5 | 145.5 | 0 | 0 | 112.3 | L87 Q88 R89 A407 E411 K415 | E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 3.33Å; E85-Q88 PolarHBondContact O-N 2.87Å; E85-R89 HydrophobicContact CG-CG 4.42Å; E85-R89 WeakPolarHBondContact O-CB 3.33Å; E85-R89 VanDerWaalsContact O-CG 3.27Å; E85-R89 WeakPolarHBondContact O-CG 3.43Å; E85-R89 PolarHBondContact O-N 3.2Å; E85-R89 IonicContact OE1-CZ 3.25Å; E85-R89 IonicContact OE1-NE 2.68Å; E85-R89 PolarHBondContact OE1-NE 3.37Å; E85-R89 IonicContact OE1-NH2 2.74Å; E85-R89 PolarHBondContact OE1-NH2 2.92Å; E85-R89 IonicContact OE2-NH2 2.66Å; E85-R89 PolarHBondContact OE2-NH2 2.9Å; E85-A407 HydrophobicContact CG-CB 3.46Å; E85-A407 VanDerWaalsContact CG-CB 3.46Å; E85-A407 VanDerWaalsContact OE1-CB 3.28Å; E85-A407 WeakPolarHBondContact OE1-CB 3.31Å; E85-E411 HydrophobicContact CG-CG 4.02Å; E85-K415 IonicContact OE2-NZ 2.75Å; E85-K415 PolarHBondContact OE2-NZ 3.14Å |
| 86 | E | 88.3 | Confident | 87.6 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.5 | -37.1 | 174.4 | -73.1 | 60.7 | -133.8 | 0 | 0 | 112.8 | P84 R89 L90 | P84-E86 PolarHBondContact O-N 3.21Å; P84-E86 VanDerWaalsContact O-N 3.16Å; E86-R89 IonicContact OE1-CZ 3.77Å; E86-R89 IonicContact OE1-NH1 2.82Å; E86-R89 PolarHBondContact OE1-NH1 2.94Å; E86-R89 IonicContact OE1-NH2 3.88Å; E86-L90 WeakPolarHBondContact O-CB 3.09Å; E86-L90 PolarHBondContact O-N 3.01Å; E86-L90 VanDerWaalsContact O-N 3.13Å |
| 87 | L | 89.8 | Confident | 87.9 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 32% | 0.319 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.9 | -39 | 175.7 | -64.5 | -173.1 | 0 | 0 | 0 | 111.7 | L60 V83 P84 E85 R89 L90 I91 | L60-L87 HydrophobicContact CD1-CD2 3.99Å; L60-L87 HydrophobicContact CD2-CD2 3.91Å; L60-L87 HydrophobicContact CG-CD2 3.95Å; V83-L87 HydrophobicContact CG1-CB 3.81Å; V83-L87 HydrophobicContact CG1-CD1 4.4Å; P84-L87 WeakPolarHBondContact O-CB 3.44Å; P84-L87 PolarHBondContact O-N 3.21Å; E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 3.33Å; L87-R89 PolarHBondContact O-N 3.06Å; L87-L90 PolarHBondContact O-N 3.32Å; L87-L90 VanDerWaalsContact O-N 3.16Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.07Å |
| 88 | Q | 89.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 174.3 | -60.4 | -176.3 | 25.2 | 0 | 0 | 111.1 | F73 V83 P84 E85 L90 I91 A92 | F73-Q88 HydrophobicContact CE2-CB 4.43Å; F73-Q88 HydrophobicContact CZ-CB 3.97Å; F73-Q88 HydrophobicContact CZ-CG 3.98Å; V83-Q88 HydrophobicContact CB-CG 4.45Å; V83-Q88 HydrophobicContact CG1-CG 4.1Å; V83-Q88 PolarHBondContact O-NE2 3.01Å; P84-Q88 PolarHBondContact O-N 3.48Å; P84-Q88 VanDerWaalsContact O-N 3.11Å; E85-Q88 PolarHBondContact O-N 2.87Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.45Å; Q88-I91 PolarHBondContact O-N 2.9Å; Q88-A92 WeakPolarHBondContact O-CB 3.36Å; Q88-A92 PolarHBondContact O-N 3.48Å |
| 89 | R | 90.9 | Very high | 88.5 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 29% | 0.291 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | 173.9 | -68.9 | 174.3 | -164.1 | 148.2 | -1.6 | 111.7 | E85 E86 L87 F93 L405 A407 | E85-R89 HydrophobicContact CG-CG 4.42Å; E85-R89 WeakPolarHBondContact O-CB 3.33Å; E85-R89 VanDerWaalsContact O-CG 3.27Å; E85-R89 WeakPolarHBondContact O-CG 3.43Å; E85-R89 PolarHBondContact O-N 3.2Å; E85-R89 IonicContact OE1-CZ 3.25Å; E85-R89 IonicContact OE1-NE 2.68Å; E85-R89 PolarHBondContact OE1-NE 3.37Å; E85-R89 IonicContact OE1-NH2 2.74Å; E85-R89 PolarHBondContact OE1-NH2 2.92Å; E85-R89 IonicContact OE2-NH2 2.66Å; E85-R89 PolarHBondContact OE2-NH2 2.9Å; E86-R89 IonicContact OE1-CZ 3.77Å; E86-R89 IonicContact OE1-NH1 2.82Å; E86-R89 PolarHBondContact OE1-NH1 2.94Å; E86-R89 IonicContact OE1-NH2 3.88Å; L87-R89 PolarHBondContact O-N 3.06Å; R89-F93 VanDerWaalsContact O-CB 3.29Å; R89-F93 WeakPolarHBondContact O-CB 3.18Å; R89-F93 PolarHBondContact O-N 3.44Å; R89-L405 HydrophobicContact CB-CD2 4.16Å; R89-A407 HydrophobicContact CG-CB 4.14Å |
| 90 | L | 91.9 | Very high | 88.9 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 179.9 | -174.8 | 64.3 | 0 | 0 | 0 | 112.8 | L60 V61 A64 E86 L87 Q88 F93 H94 | L60-L90 HydrophobicContact CD2-CD2 3.4Å; L60-L90 VanDerWaalsContact CD2-CD2 3.4Å; V61-L90 HydrophobicContact CG2-CD2 4.37Å; A64-L90 HydrophobicContact CB-CB 4.47Å; A64-L90 HydrophobicContact CB-CD2 3.65Å; A64-L90 HydrophobicContact CB-CG 3.7Å; E86-L90 WeakPolarHBondContact O-CB 3.09Å; E86-L90 PolarHBondContact O-N 3.01Å; E86-L90 VanDerWaalsContact O-N 3.13Å; L87-L90 PolarHBondContact O-N 3.32Å; L87-L90 VanDerWaalsContact O-N 3.16Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.45Å; L90-F93 PolarHBondContact O-N 2.96Å; L90-H94 PolarHBondContact O-CD2 3.24Å; L90-H94 PolarHBondContact O-N 2.99Å; L90-H94 VanDerWaalsContact O-N 3.14Å |
| 91 | I | 92.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 173 | -66.9 | 162 | 0 | 0 | 0 | 109.3 | A64 I67 A68 F73 V76 L87 Q88 F93 H94 S95 F137 | A64-I91 HydrophobicContact CB-CG1 4.21Å; I67-I91 HydrophobicContact CD1-CD1 4.36Å; I67-I91 HydrophobicContact CG2-CD1 4.06Å; I67-I91 HydrophobicContact CG2-CG1 4.28Å; I67-I91 HydrophobicContact CG2-CG2 4.06Å; A68-I91 HydrophobicContact CB-CG2 4.17Å; A68-I91 WeakPolarHBondContact CB-O 3.49Å; F73-I91 HydrophobicContact CD2-CG2 4.17Å; F73-I91 HydrophobicContact CE2-CG2 4.34Å; V76-I91 HydrophobicContact CG1-CD1 3.93Å; V76-I91 HydrophobicContact CG2-CD1 4.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.07Å; Q88-I91 PolarHBondContact O-N 2.9Å; I91-F93 VanDerWaalsContact C-N 3.25Å; I91-F93 PolarHBondContact O-N 3.41Å; I91-H94 CarbonylContact O-C 3.58Å; I91-H94 PolarHBondContact O-N 3.24Å; I91-H94 VanDerWaalsContact O-N 3.13Å; I91-S95 WeakPolarHBondContact O-CB 3.29Å; I91-S95 PolarHBondContact O-N 2.94Å; I91-S95 PolarHBondContact O-OG 3.48Å; I91-F137 HydrophobicContact CG2-CZ 4.38Å |
| 92 | A | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -32 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q88 Q134 F137 | Q88-A92 WeakPolarHBondContact O-CB 3.36Å; Q88-A92 PolarHBondContact O-N 3.48Å; A92-Q134 PolarHBondContact O-NE2 2.67Å; A92-F137 HydrophobicContact CB-CD2 4.42Å; A92-F137 HydrophobicContact CB-CE2 4.01Å; A92-F137 HydrophobicContact CB-CZ 4.18Å |
| 93 | F | 93.4 | Very high | 90.2 | Very high | 67 Ų | 67 | 39 Ų | 39 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67 | -40.1 | 174.6 | 179.2 | -95.9 | 0 | 0 | 0 | 112.8 | R89 L90 I91 R396 P400 L405 | R89-F93 VanDerWaalsContact O-CB 3.29Å; R89-F93 WeakPolarHBondContact O-CB 3.18Å; R89-F93 PolarHBondContact O-N 3.44Å; L90-F93 PolarHBondContact O-N 2.96Å; I91-F93 VanDerWaalsContact C-N 3.25Å; I91-F93 PolarHBondContact O-N 3.41Å; F93-R396 PolarHBondContact O-NH2 3.32Å; F93-P400 HydrophobicContact CE2-CB 3.87Å; F93-P400 HydrophobicContact CZ-CB 3.98Å; F93-L405 HydrophobicContact CB-CD2 4.08Å; F93-L405 HydrophobicContact CD2-CD2 4.25Å |
| 94 | H | 92.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 13% | 0.125 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -87.8 | -5.3 | 179.5 | -70.9 | -51.1 | 0 | 0 | 0 | 114.7 | K65 A68 L90 I91 Q243 | K65-H94 VanDerWaalsContact CE-CE1 3.46Å; K65-H94 WeakPolarHBondContact CE-CE1 3.21Å; K65-H94 HydrophobicContact CG-CB 4.08Å; A68-H94 HydrophobicContact CB-CB 3.8Å; L90-H94 PolarHBondContact O-CD2 3.24Å; L90-H94 PolarHBondContact O-N 2.99Å; L90-H94 VanDerWaalsContact O-N 3.14Å; I91-H94 CarbonylContact O-C 3.58Å; I91-H94 PolarHBondContact O-N 3.24Å; I91-H94 VanDerWaalsContact O-N 3.13Å; H94-Q243 WeakPolarHBondContact O-CG 3.08Å; H94-Q243 PolarHBondContact O-NE2 2.89Å |
| 95 | S | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -10.9 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | A68 I91 F137 F240 Q243 | A68-S95 WeakPolarHBondContact CB-OG 3.45Å; I91-S95 WeakPolarHBondContact O-CB 3.29Å; I91-S95 PolarHBondContact O-N 2.94Å; I91-S95 PolarHBondContact O-OG 3.48Å; S95-F137 WeakPolarHBondContact OG-CE1 3.41Å; S95-F240 WeakPolarHBondContact O-CD2 3.44Å; S95-Q243 WeakPolarHBondContact O-CA 3.25Å; S95-Q243 PolarHBondContact O-N 3.32Å |
| 96 | F | 94.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -83.1 | 137.7 | 173.9 | -170.1 | -87.4 | 0 | 0 | 0 | 110.4 | L139 F240 I245 C393 R396 I397 | F96-L139 HydrophobicContact CD2-CD2 4.28Å; F96-L139 HydrophobicContact CE2-CD2 3.53Å; F96-L139 HydrophobicContact CZ-CD2 3.98Å; F96-F240 HydrophobicContact CB-CD2 3.99Å; F96-F240 HydrophobicContact CB-CE2 3.98Å; F96-F240 HydrophobicContact CB-CG 4.46Å; F96-F240 HydrophobicContact CB-CZ 4.45Å; F96-F240 HydrophobicContact CD2-CB 4.37Å; F96-F240 AromaticContact CD2-CD1 3.55Å; F96-F240 HydrophobicContact CD2-CD1 3.55Å; F96-F240 HydrophobicContact CD2-CD2 4.08Å; F96-F240 AromaticContact CD2-CE1 3.81Å; F96-F240 HydrophobicContact CD2-CE1 3.81Å; F96-F240 HydrophobicContact CD2-CE2 4.3Å; F96-F240 AromaticContact CD2-CG 3.71Å; F96-F240 HydrophobicContact CD2-CG 3.71Å; F96-F240 HydrophobicContact CD2-CZ 4.19Å; F96-F240 HydrophobicContact CE2-CD1 4.08Å; F96-F240 HydrophobicContact CE2-CG 4.46Å; F96-I245 HydrophobicContact CE2-CD1 4.38Å; F96-I245 HydrophobicContact CZ-CD1 4.27Å; F96-C393 HydrophobicContact CZ-CB 4.48Å; F96-R396 HydrophobicContact CD1-CB 4.42Å; F96-R396 HydrophobicContact CD1-CG 3.53Å; F96-R396 HydrophobicContact CD2-CG 4.08Å; F96-R396 HydrophobicContact CE1-CB 3.9Å; F96-R396 HydrophobicContact CE1-CG 3.5Å; F96-R396 VanDerWaalsContact CE1-CG 3.5Å; F96-R396 HydrophobicContact CE2-CG 4.05Å; F96-R396 HydrophobicContact CG-CG 3.86Å; F96-R396 HydrophobicContact CZ-CB 3.99Å; F96-R396 HydrophobicContact CZ-CG 3.77Å; F96-I397 HydrophobicContact CE1-CG1 3.95Å |
| 97 | P | 92.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | trans | -58.8 | 141.2 | 179 | 19.6 | -31.2 | 0 | 0 | 0 | 113.7 | Q243 I245 W477 | P97-Q243 WeakPolarHBondContact CB-O 3.34Å; P97-I245 HydrophobicContact CG-CD1 4.39Å; P97-I245 HydrophobicContact CG-CG1 3.92Å; P97-W477 HydrophobicContact CB-CH2 3.55Å; P97-W477 HydrophobicContact CB-CZ2 4.23Å; P97-W477 HydrophobicContact CB-CZ3 4.38Å; P97-W477 HydrophobicContact CG-CH2 3.68Å; P97-W477 HydrophobicContact CG-CZ3 4.02Å | ||
| 98 | T | 88.9 | Confident | 90.7 | Very high | 104 Ų | 104 | 24.9 Ų | 24.9 | 64% | 0.638 | 12% | 0.124 | S | C | * | . | trans | -108.7 | -13.4 | -178.2 | 55.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 99 | D | 88.2 | Confident | 90.5 | Very high | 56 Ų | 56 | 24 Ų | 24 | 30% | 0.299 | 12% | 0.12 | S | C | . | . | trans | -89.8 | 135.8 | 176.9 | -161.2 | -6 | 0 | 0 | 0 | 111.1 | K39 D101 | K39-D99 IonicContact NZ-OD1 2.66Å; D99-D101 PolarHBondContact OD1-N 2.62Å | ||
| 100 | E | 91.5 | Very high | 90.2 | Very high | 38 Ų | 38 | 20.4 Ų | 20.4 | 18% | 0.178 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -80.7 | -22.3 | 173.5 | -61.5 | -173.8 | 179.7 | 0 | 0 | 111.9 | D102 I103 W104 L394 I397 R398 | E100-D102 VanDerWaalsContact C-N 3.31Å; E100-D102 PolarHBondContact O-N 3.01Å; E100-I103 PolarHBondContact O-N 2.95Å; E100-W104 WeakPolarHBondContact O-CB 3.22Å; E100-W104 PolarHBondContact O-N 3.25Å; E100-L394 HydrophobicContact CB-CD2 4.47Å; E100-L394 HydrophobicContact CG-CD2 4.02Å; E100-I397 HydrophobicContact CG-CD1 4.2Å; E100-I397 HydrophobicContact CG-CG2 3.98Å; E100-R398 WeakPolarHBondContact OE1-CD 3.41Å; E100-R398 WeakPolarHBondContact OE1-CG 3.48Å; E100-R398 IonicContact OE1-CZ 3.74Å; E100-R398 IonicContact OE1-NE 3.73Å; E100-R398 PolarHBondContact OE1-NE 2.88Å; E100-R398 IonicContact OE1-NH2 3.32Å; E100-R398 IonicContact OE2-CZ 3.97Å; E100-R398 IonicContact OE2-NE 2.67Å; E100-R398 PolarHBondContact OE2-NE 2.92Å; E100-R398 IonicContact OE2-NH2 2.67Å; E100-R398 PolarHBondContact OE2-NH2 2.71Å |
| 101 | D | 88.1 | Confident | 89.6 | Confident | 34 Ų | 34 | 18.7 Ų | 18.7 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.6 | -31 | -179.6 | -68.6 | 6.8 | 0 | 0 | 0 | 111.5 | K39 D99 L105 | K39-D101 IonicContact NZ-OD1 2.73Å; K39-D101 PolarHBondContact NZ-OD1 3.25Å; K39-D101 IonicContact NZ-OD2 3.99Å; K39-D101 PolarHBondContact NZ-OD2 3.38Å; D99-D101 PolarHBondContact OD1-N 2.62Å; D101-L105 WeakPolarHBondContact O-CB 3.5Å; D101-L105 PolarHBondContact O-N 3.16Å |
| 102 | D | 88.3 | Confident | 88.7 | Confident | 28 Ų | 28 | 18.4 Ų | 18.4 | 15% | 0.15 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71 | -40.1 | 172.6 | -71.6 | -34.6 | 0 | 0 | 0 | 111.7 | E100 W104 L105 Y106 W477 R548 | E100-D102 VanDerWaalsContact C-N 3.31Å; E100-D102 PolarHBondContact O-N 3.01Å; D102-W104 VanDerWaalsContact C-N 3.31Å; D102-W104 PolarHBondContact O-N 3.38Å; D102-L105 PolarHBondContact O-N 3.14Å; D102-Y106 PolarHBondContact O-N 3.31Å; D102-W477 HydrophobicContact CB-CH2 3.8Å; D102-W477 HydrophobicContact CB-CZ2 3.58Å; D102-R548 IonicContact OD1-CZ 3.09Å; D102-R548 IonicContact OD1-NH1 3.83Å; D102-R548 PolarHBondContact OD1-NH1 3.28Å; D102-R548 IonicContact OD2-NH1 3.86Å |
| 103 | I | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 173.9 | -58.2 | -59.9 | 0 | 0 | 0 | 110.5 | E100 S107 F117 I245 W385 V390 C393 I397 W477 | E100-I103 PolarHBondContact O-N 2.95Å; I103-S107 WeakPolarHBondContact O-CB 3.17Å; I103-S107 PolarHBondContact O-N 3.48Å; I103-S107 PolarHBondContact O-OG 3.1Å; I103-F117 HydrophobicContact CB-CE2 4.46Å; I103-F117 HydrophobicContact CG2-CD2 4.33Å; I103-F117 HydrophobicContact CG2-CE2 4.11Å; I103-I245 HydrophobicContact CD1-CD1 3.96Å; I103-W385 HydrophobicContact CD1-CH2 3.98Å; I103-W385 HydrophobicContact CD1-CZ3 3.87Å; I103-W385 HydrophobicContact CG2-CZ3 4.21Å; I103-V390 HydrophobicContact CG2-CG1 3.99Å; I103-V390 HydrophobicContact CG2-CG2 4.47Å; I103-C393 HydrophobicContact CD1-CB 3.97Å; I103-C393 HydrophobicContact CG1-CB 4.31Å; I103-C393 HydrophobicContact CG2-CB 4.12Å; I103-I397 HydrophobicContact CG1-CD1 3.87Å; I103-W477 HydrophobicContact CD1-CH2 4.31Å; I103-W477 HydrophobicContact CD1-CZ3 4.12Å |
| 104 | W | 91.1 | Very high | 87.5 | Confident | 13 Ų | 13 | 17 Ų | 17 | 5% | 0.049 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 172.4 | 178.9 | 84.5 | 0 | 0 | 0 | 111.7 | T33 F34 E100 D102 S107 C108 F117 F541 | T33-W104 WeakPolarHBondContact O-CZ2 3.46Å; F34-W104 HydrophobicContact CD2-CZ3 4.42Å; E100-W104 WeakPolarHBondContact O-CB 3.22Å; E100-W104 PolarHBondContact O-N 3.25Å; D102-W104 VanDerWaalsContact C-N 3.31Å; D102-W104 PolarHBondContact O-N 3.38Å; W104-S107 PolarHBondContact O-OG 3.45Å; W104-C108 VanDerWaalsContact O-CB 3.26Å; W104-C108 WeakPolarHBondContact O-CB 3.31Å; W104-C108 PolarHBondContact O-N 2.94Å; W104-C108 PolarHBondContact O-SG 3Å; W104-F117 VanDerWaalsContact CA-CD2 3.46Å; W104-F117 HydrophobicContact CB-CD2 3.76Å; W104-F117 HydrophobicContact CB-CE2 3.72Å; W104-F117 HydrophobicContact CB-CG 4.29Å; W104-F117 HydrophobicContact CB-CZ 4.26Å; W104-F117 AromaticContact CD1-CD1 3.75Å; W104-F117 AromaticContact CD1-CG 3.66Å; W104-F117 HydrophobicContact CG-CD2 4.32Å; W104-F117 HydrophobicContact CG-CG 4.37Å; W104-F541 AromaticContact CH2-CZ 3.88Å; W104-F541 HydrophobicContact CH2-CZ 3.88Å; W104-F541 HydrophobicContact CZ3-CE1 4.17Å; W104-F541 AromaticContact CZ3-CZ 3.65Å; W104-F541 HydrophobicContact CZ3-CZ 3.65Å |
| 105 | L | 88.1 | Confident | 87.1 | Confident | 9 Ų | 9 | 21 Ų | 21 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.2 | -51 | 179.1 | 177.6 | 59.9 | 0 | 0 | 0 | 111.7 | D101 D102 C108 L109 F541 M545 | D101-L105 WeakPolarHBondContact O-CB 3.5Å; D101-L105 PolarHBondContact O-N 3.16Å; D102-L105 PolarHBondContact O-N 3.14Å; L105-C108 PolarHBondContact O-N 3.33Å; L105-L109 HydrophobicContact CD1-CD1 3.88Å; L105-L109 HydrophobicContact CD1-CG 4.04Å; L105-L109 HydrophobicContact CG-CD1 3.87Å; L105-L109 HydrophobicContact CG-CG 4.44Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.31Å; L105-L109 PolarHBondContact O-N 3.06Å; L105-F541 HydrophobicContact CD1-CB 4.16Å; L105-F541 HydrophobicContact CD1-CD1 3.74Å; L105-F541 HydrophobicContact CD1-CD2 3.78Å; L105-F541 HydrophobicContact CD1-CE1 4.03Å; L105-F541 HydrophobicContact CD1-CE2 4.03Å; L105-F541 HydrophobicContact CD1-CG 3.64Å; L105-F541 HydrophobicContact CD1-CZ 4.18Å; L105-M545 HydrophobicContact CD2-CG 4.32Å; L105-M545 HydrophobicContact CD2-SD 4.47Å |
| 106 | Y | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72 | -32.2 | -175.5 | -87.5 | -78.3 | 0 | 0 | 0 | 114.1 | D102 L109 S110 W385 W477 F479 M545 D550 N552 | D102-Y106 PolarHBondContact O-N 3.31Å; Y106-L109 HydrophobicContact CD1-CD1 4.42Å; Y106-L109 HydrophobicContact CE1-CD1 4.4Å; Y106-S110 WeakPolarHBondContact O-CB 3.31Å; Y106-S110 PolarHBondContact O-N 3.29Å; Y106-S110 PolarHBondContact O-OG 3.28Å; Y106-W385 HydrophobicContact CG-CZ2 4.19Å; Y106-W477 HydrophobicContact CD1-CB 4.06Å; Y106-W477 HydrophobicContact CD2-CB 4.08Å; Y106-W477 AromaticContact CD2-CD2 3.88Å; Y106-W477 HydrophobicContact CD2-CD2 3.88Å; Y106-W477 HydrophobicContact CD2-CE3 4.22Å; Y106-W477 AromaticContact CD2-CG 3.86Å; Y106-W477 HydrophobicContact CD2-CG 3.86Å; Y106-W477 HydrophobicContact CE1-CB 3.58Å; Y106-W477 HydrophobicContact CE1-CG 4.28Å; Y106-W477 HydrophobicContact CE2-CB 3.59Å; Y106-W477 AromaticContact CE2-CD1 3.38Å; Y106-W477 AromaticContact CE2-CD2 3.79Å; Y106-W477 HydrophobicContact CE2-CD2 3.79Å; Y106-W477 AromaticContact CE2-CG 3.33Å; Y106-W477 HydrophobicContact CE2-CG 3.33Å; Y106-W477 AromaticContact CE2-NE1 3.81Å; Y106-W477 HydrophobicContact CG-CB 4.3Å; Y106-W477 AromaticContact CZ-CD1 3.7Å; Y106-W477 AromaticContact CZ-CG 3.58Å; Y106-F479 HydrophobicContact CD1-CB 4.2Å; Y106-F479 HydrophobicContact CE1-CB 3.98Å; Y106-F479 HydrophobicContact CE1-CG 4.47Å; Y106-M545 HydrophobicContact CE1-CE 4.46Å; Y106-M545 WeakPolarHBondContact OH-CE 3.42Å; Y106-D550 VanDerWaalsContact OH-CG 3.22Å; Y106-D550 PolarHBondContact OH-OD1 3.26Å; Y106-D550 PolarHBondContact OH-OD2 2.93Å; Y106-N552 WeakPolarHBondContact OH-CB 3.4Å; Y106-N552 PolarHBondContact OH-ND2 3.17Å |
| 107 | S | 89.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.6 | -40 | 169.1 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | I103 W104 S111 | I103-S107 WeakPolarHBondContact O-CB 3.17Å; I103-S107 PolarHBondContact O-N 3.48Å; I103-S107 PolarHBondContact O-OG 3.1Å; W104-S107 PolarHBondContact O-OG 3.45Å; S107-S111 VanDerWaalsContact O-CB 3.28Å; S107-S111 WeakPolarHBondContact O-CB 3.26Å; S107-S111 PolarHBondContact O-N 3.42Å; S107-S111 VanDerWaalsContact O-N 3.13Å; S107-S111 PolarHBondContact O-OG 2.99Å |
| 108 | C | 86.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 171.6 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | F32 W104 L105 G112 G113 | F32-C108 HydrophobicContact CD1-CB 4.12Å; F32-C108 HydrophobicContact CE1-CB 4.11Å; W104-C108 VanDerWaalsContact O-CB 3.26Å; W104-C108 WeakPolarHBondContact O-CB 3.31Å; W104-C108 PolarHBondContact O-N 2.94Å; W104-C108 PolarHBondContact O-SG 3Å; L105-C108 PolarHBondContact O-N 3.33Å; C108-G112 CarbonylContact O-C 3.44Å; C108-G112 WeakPolarHBondContact O-CA 3.25Å; C108-G112 PolarHBondContact O-N 3.22Å; C108-G113 PolarHBondContact O-N 3.02Å |
| 109 | L | 86.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 179.8 | -74.1 | 168.8 | 0 | 0 | 0 | 111.7 | F32 L105 Y106 S111 F479 L484 L538 M545 L556 | F32-L109 HydrophobicContact CE1-CD2 4.26Å; F32-L109 HydrophobicContact CZ-CD2 4.41Å; L105-L109 HydrophobicContact CD1-CD1 3.88Å; L105-L109 HydrophobicContact CD1-CG 4.04Å; L105-L109 HydrophobicContact CG-CD1 3.87Å; L105-L109 HydrophobicContact CG-CG 4.44Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.31Å; L105-L109 PolarHBondContact O-N 3.06Å; Y106-L109 HydrophobicContact CD1-CD1 4.42Å; Y106-L109 HydrophobicContact CE1-CD1 4.4Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 2.95Å; L109-F479 HydrophobicContact CB-CD2 4.25Å; L109-F479 HydrophobicContact CB-CE2 3.8Å; L109-L484 HydrophobicContact CD2-CD2 4.32Å; L109-L484 WeakPolarHBondContact O-CB 3.27Å; L109-L538 HydrophobicContact CD2-CD1 3.48Å; L109-L538 VanDerWaalsContact CD2-CD1 3.48Å; L109-M545 HydrophobicContact CD1-CE 4.3Å; L109-M545 HydrophobicContact CD1-SD 4.16Å; L109-L556 HydrophobicContact CD1-CD1 4Å; L109-L556 HydrophobicContact CD2-CD1 4.03Å; L109-L556 HydrophobicContact CD2-CD2 4.25Å |
| 110 | S | 83.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.3 | -27.2 | -176.5 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | Y106 | Y106-S110 WeakPolarHBondContact O-CB 3.31Å; Y106-S110 PolarHBondContact O-N 3.29Å; Y106-S110 PolarHBondContact O-OG 3.28Å |
| 111 | S | 78.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -108 | -16.7 | -175.5 | 72.9 | 0 | 0 | 0 | 0 | 114 | S107 L109 G113 E116 K487 | S107-S111 VanDerWaalsContact O-CB 3.28Å; S107-S111 WeakPolarHBondContact O-CB 3.26Å; S107-S111 PolarHBondContact O-N 3.42Å; S107-S111 VanDerWaalsContact O-N 3.13Å; S107-S111 PolarHBondContact O-OG 2.99Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 2.95Å; S111-G113 PolarHBondContact OG-N 3.13Å; S111-G113 PolarHBondContact OG-O 3.43Å; S111-E116 VanDerWaalsContact CB-CG 3.49Å; S111-K487 PolarHBondContact O-NZ 3.36Å |
| 112 | G | 73.9 | Confident | 87 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 88.1 | -2.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L30 C108 | L30-G112 VanDerWaalsContact CA-O 3.27Å; L30-G112 WeakPolarHBondContact CA-O 3.25Å; L30-G112 WeakPolarHBondContact CD2-O 3.24Å; C108-G112 CarbonylContact O-C 3.44Å; C108-G112 WeakPolarHBondContact O-CA 3.25Å; C108-G112 PolarHBondContact O-N 3.22Å |
| 113 | G | 76.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 20.4 Ų | 20.4 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -172.6 | 179.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C108 S111 Y115 | C108-G113 PolarHBondContact O-N 3.02Å; S111-G113 PolarHBondContact OG-N 3.13Å; S111-G113 PolarHBondContact OG-O 3.43Å; G113-Y115 PolarHBondContact O-N 2.85Å; G113-Y115 VanDerWaalsContact O-N 3.12Å |
| 114 | S | 84.3 | Confident | 87.2 | Confident | 29 Ų | 29 | 22.7 Ų | 22.7 | 20% | 0.203 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6.8 | -172.8 | 67.6 | 0 | 0 | 0 | 0 | 115.6 | E116 F117 D118 | S114-E116 PolarHBondContact O-N 2.88Å; S114-F117 CarbonylContact O-C 3.4Å; S114-F117 WeakPolarHBondContact O-CA 3.19Å; S114-F117 WeakPolarHBondContact O-CB 3.39Å; S114-F117 PolarHBondContact O-N 3.37Å; S114-D118 WeakPolarHBondContact CB-OD2 3.36Å; S114-D118 PolarHBondContact O-N 3.32Å; S114-D118 PolarHBondContact OG-OD2 3.2Å |
| 115 | Y | 84.9 | Confident | 87.2 | Confident | 110 Ų | 110 | 24.7 Ų | 24.7 | 43% | 0.431 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.8 | -37.9 | -165.4 | 81.6 | -91.5 | 0 | 0 | 0 | 114.5 | G113 F117 Q119 | G113-Y115 PolarHBondContact O-N 2.85Å; G113-Y115 VanDerWaalsContact O-N 3.12Å; Y115-F117 VanDerWaalsContact C-N 3.29Å; Y115-F117 PolarHBondContact O-N 3Å; Y115-Q119 VanDerWaalsContact O-CB 3.3Å; Y115-Q119 WeakPolarHBondContact O-CB 3.29Å; Y115-Q119 PolarHBondContact O-N 2.98Å |
| 116 | E | 87.5 | Confident | 87.3 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 174 | -64.7 | -69.1 | 173.6 | 0 | 0 | 111 | S111 S114 G120 C386 S387 | S111-E116 VanDerWaalsContact CB-CG 3.49Å; S114-E116 PolarHBondContact O-N 2.88Å; E116-G120 PolarHBondContact O-N 3.38Å; E116-C386 WeakPolarHBondContact OE2-CA 3.44Å; E116-S387 VanDerWaalsContact O-CA 3.31Å; E116-S387 WeakPolarHBondContact O-CA 3.3Å; E116-S387 VanDerWaalsContact O-CB 3.27Å; E116-S387 WeakPolarHBondContact O-CB 3.37Å; E116-S387 PolarHBondContact OE2-N 2.96Å |
| 117 | F | 90.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.3 | -48.2 | 177.3 | -173.5 | -83 | 0 | 0 | 0 | 111.7 | I103 W104 S114 Y115 Q119 G120 E121 V390 L394 | I103-F117 HydrophobicContact CB-CE2 4.46Å; I103-F117 HydrophobicContact CG2-CD2 4.33Å; I103-F117 HydrophobicContact CG2-CE2 4.11Å; W104-F117 VanDerWaalsContact CA-CD2 3.46Å; W104-F117 HydrophobicContact CB-CD2 3.76Å; W104-F117 HydrophobicContact CB-CE2 3.72Å; W104-F117 HydrophobicContact CB-CG 4.29Å; W104-F117 HydrophobicContact CB-CZ 4.26Å; W104-F117 AromaticContact CD1-CD1 3.75Å; W104-F117 AromaticContact CD1-CG 3.66Å; W104-F117 HydrophobicContact CG-CD2 4.32Å; W104-F117 HydrophobicContact CG-CG 4.37Å; S114-F117 CarbonylContact O-C 3.4Å; S114-F117 WeakPolarHBondContact O-CA 3.19Å; S114-F117 WeakPolarHBondContact O-CB 3.39Å; S114-F117 PolarHBondContact O-N 3.37Å; Y115-F117 VanDerWaalsContact C-N 3.29Å; Y115-F117 PolarHBondContact O-N 3Å; F117-Q119 VanDerWaalsContact C-N 3.3Å; F117-Q119 PolarHBondContact O-N 3.35Å; F117-G120 CarbonylContact O-C 3.3Å; F117-G120 WeakPolarHBondContact O-CA 3.25Å; F117-G120 PolarHBondContact O-N 3.18Å; F117-E121 HydrophobicContact CE1-CB 4.43Å; F117-E121 WeakPolarHBondContact O-CB 3.34Å; F117-E121 PolarHBondContact O-N 3.31Å; F117-V390 HydrophobicContact CD2-CG1 3.67Å; F117-V390 HydrophobicContact CE2-CG1 4.1Å; F117-V390 HydrophobicContact CG-CG1 4.24Å; F117-L394 HydrophobicContact CE2-CD2 4.22Å; F117-L394 HydrophobicContact CZ-CD1 4.33Å; F117-L394 HydrophobicContact CZ-CD2 4.15Å |
| 118 | D | 90.5 | Very high | 87.4 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.5 | -37 | -178.7 | -62.8 | -44.4 | 0 | 0 | 0 | 110.9 | S114 A122 | S114-D118 WeakPolarHBondContact CB-OD2 3.36Å; S114-D118 PolarHBondContact O-N 3.32Å; S114-D118 PolarHBondContact OG-OD2 3.2Å; D118-A122 PolarHBondContact O-N 3.06Å; D118-A122 VanDerWaalsContact O-N 3.11Å |
| 119 | Q | 89.6 | Confident | 87.7 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 33% | 0.327 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.3 | -36.7 | 170.6 | -172.1 | -179.8 | 54.9 | 0 | 0 | 112.3 | Y115 F117 A122 L123 S387 | Y115-Q119 VanDerWaalsContact O-CB 3.3Å; Y115-Q119 WeakPolarHBondContact O-CB 3.29Å; Y115-Q119 PolarHBondContact O-N 2.98Å; F117-Q119 VanDerWaalsContact C-N 3.3Å; F117-Q119 PolarHBondContact O-N 3.35Å; Q119-A122 PolarHBondContact O-N 3.4Å; Q119-L123 HydrophobicContact CG-CD1 4.47Å; Q119-L123 WeakPolarHBondContact O-CG 3.11Å; Q119-L123 PolarHBondContact O-N 3.46Å; Q119-S387 VanDerWaalsContact OE1-CB 3.28Å; Q119-S387 PolarHBondContact OE1-OG 3.44Å |
| 120 | G | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E116 F117 L123 W124 S387 A391 | E116-G120 PolarHBondContact O-N 3.38Å; F117-G120 CarbonylContact O-C 3.3Å; F117-G120 WeakPolarHBondContact O-CA 3.25Å; F117-G120 PolarHBondContact O-N 3.18Å; G120-L123 PolarHBondContact O-N 2.7Å; G120-W124 WeakPolarHBondContact O-CB 3.4Å; G120-W124 PolarHBondContact O-N 3.26Å; G120-S387 VanDerWaalsContact CA-O 3.31Å; G120-S387 WeakPolarHBondContact CA-O 3.33Å; G120-A391 WeakPolarHBondContact O-CB 3.35Å |
| 121 | E | 92.3 | Very high | 88.2 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 172 | 175 | 144.3 | -120.3 | 0 | 0 | 111.2 | R35 F117 W124 A125 L394 R398 | R35-E121 IonicContact CZ-OE2 3.26Å; R35-E121 IonicContact NH2-OE2 3.12Å; R35-E121 PolarHBondContact NH2-OE2 2.83Å; F117-E121 HydrophobicContact CE1-CB 4.43Å; F117-E121 WeakPolarHBondContact O-CB 3.34Å; F117-E121 PolarHBondContact O-N 3.31Å; E121-W124 PolarHBondContact O-N 2.88Å; E121-A125 WeakPolarHBondContact O-CB 3.45Å; E121-A125 PolarHBondContact O-N 3.41Å; E121-L394 HydrophobicContact CB-CD1 4.08Å; E121-R398 IonicContact OE1-CZ 2.73Å; E121-R398 IonicContact OE1-NH1 2.61Å; E121-R398 PolarHBondContact OE1-NH1 3.37Å; E121-R398 IonicContact OE1-NH2 3.4Å; E121-R398 PolarHBondContact OE1-NH2 3.02Å |
| 122 | A | 92 | Very high | 88.9 | Confident | 36 Ų | 36 | 48 Ų | 48 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D118 Q119 W124 A125 D126 | D118-A122 PolarHBondContact O-N 3.06Å; D118-A122 VanDerWaalsContact O-N 3.11Å; Q119-A122 PolarHBondContact O-N 3.4Å; A122-W124 PolarHBondContact O-N 2.9Å; A122-A125 PolarHBondContact O-N 2.76Å; A122-D126 PolarHBondContact O-N 3.39Å |
| 123 | L | 92 | Very high | 89.9 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -33.6 | 176.5 | -72.7 | 171.2 | 0 | 0 | 0 | 112.5 | Q119 G120 A128 V143 A391 | Q119-L123 HydrophobicContact CG-CD1 4.47Å; Q119-L123 WeakPolarHBondContact O-CG 3.11Å; Q119-L123 PolarHBondContact O-N 3.46Å; G120-L123 PolarHBondContact O-N 2.7Å; L123-A128 HydrophobicContact CB-CB 4.49Å; L123-A128 HydrophobicContact CD2-CB 4.2Å; L123-A128 WeakPolarHBondContact O-CB 3.38Å; L123-A128 PolarHBondContact O-N 3.28Å; L123-V143 HydrophobicContact CD1-CG1 4.47Å; L123-A391 HydrophobicContact CB-CB 3.84Å |
| 124 | W | 92.2 | Very high | 90.7 | Very high | 49 Ų | 49 | 49 Ų | 49 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.2 | -45 | 171.8 | 173.9 | 89.2 | 0 | 0 | 0 | 112.2 | G120 E121 A122 D126 K127 A391 L394 R398 Q399 | G120-W124 WeakPolarHBondContact O-CB 3.4Å; G120-W124 PolarHBondContact O-N 3.26Å; E121-W124 PolarHBondContact O-N 2.88Å; A122-W124 PolarHBondContact O-N 2.9Å; W124-D126 PolarHBondContact O-N 3.22Å; W124-K127 WeakPolarHBondContact O-CA 3.39Å; W124-K127 PolarHBondContact O-N 2.88Å; W124-A391 HydrophobicContact CB-CB 4.5Å; W124-L394 HydrophobicContact CB-CB 4.33Å; W124-L394 HydrophobicContact CG-CB 4.05Å; W124-L394 PolarHBondContact NE1-O 3.46Å; W124-R398 VanDerWaalsContact CE2-CD 3.47Å; W124-R398 VanDerWaalsContact CE3-NH1 3.25Å; W124-R398 HydrophobicContact CH2-CB 4.5Å; W124-R398 HydrophobicContact CZ2-CB 3.62Å; W124-R398 HydrophobicContact CZ2-CG 4.06Å; W124-R398 VanDerWaalsContact CZ3-NH1 3.25Å; W124-Q399 HydrophobicContact CZ2-CG 4.46Å |
| 125 | A | 91 | Very high | 91.2 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -40.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | E121 A122 K127 | E121-A125 WeakPolarHBondContact O-CB 3.45Å; E121-A125 PolarHBondContact O-N 3.41Å; A122-A125 PolarHBondContact O-N 2.76Å; A125-K127 PolarHBondContact O-N 2.8Å; A125-K127 VanDerWaalsContact O-N 3.12Å |
| 126 | D | 90.4 | Very high | 91.5 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 56% | 0.556 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -3.6 | 172.4 | -75.1 | -13.4 | 0 | 0 | 0 | 113.2 | A122 W124 A128 | A122-D126 PolarHBondContact O-N 3.39Å; W124-D126 PolarHBondContact O-N 3.22Å; D126-A128 PolarHBondContact O-N 2.91Å |
| 127 | K | 90.1 | Very high | 91.8 | Very high | 151 Ų | 151 | 43.9 Ų | 43.9 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 33.5 | -176.9 | -55 | 149.9 | -169.2 | 160.6 | 0 | 111.4 | W124 A125 V129 K130 | W124-K127 WeakPolarHBondContact O-CA 3.39Å; W124-K127 PolarHBondContact O-N 2.88Å; A125-K127 PolarHBondContact O-N 2.8Å; A125-K127 VanDerWaalsContact O-N 3.12Å; K127-V129 VanDerWaalsContact C-N 3.29Å; K127-V129 PolarHBondContact O-N 2.94Å; K127-K130 WeakPolarHBondContact O-CE 3.31Å; K127-K130 PolarHBondContact O-NZ 3.4Å |
| 128 | A | 91.1 | Very high | 92 | Very high | 9 Ų | 9 | 46 Ų | 46 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | trans | -73.2 | -23.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L123 D126 K130 V143 L144 | L123-A128 HydrophobicContact CB-CB 4.49Å; L123-A128 HydrophobicContact CD2-CB 4.2Å; L123-A128 WeakPolarHBondContact O-CB 3.38Å; L123-A128 PolarHBondContact O-N 3.28Å; D126-A128 PolarHBondContact O-N 2.91Å; A128-K130 PolarHBondContact O-N 3.49Å; A128-V143 HydrophobicContact CB-CG1 4.48Å; A128-L144 VanDerWaalsContact CB-O 3.31Å; A128-L144 WeakPolarHBondContact CB-O 3.36Å; A128-L144 PolarHBondContact O-N 2.71Å | ||
| 129 | V | 92.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 120 | 170.7 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | K127 C132 A141 V143 A391 M395 | K127-V129 VanDerWaalsContact C-N 3.29Å; K127-V129 PolarHBondContact O-N 2.94Å; V129-C132 HydrophobicContact CG1-CB 4.49Å; V129-A141 HydrophobicContact CG1-CB 3.9Å; V129-V143 HydrophobicContact CG1-CG2 4.44Å; V129-V143 HydrophobicContact CG2-CG1 4.24Å; V129-V143 HydrophobicContact CG2-CG2 4.14Å; V129-A391 HydrophobicContact CG2-CB 3.71Å; V129-M395 HydrophobicContact CB-CE 3.91Å; V129-M395 HydrophobicContact CG1-CB 4.23Å; V129-M395 HydrophobicContact CG1-CE 4.4Å; V129-M395 HydrophobicContact CG1-CG 4.26Å |
| 130 | K | 91.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 168.6 | 174.6 | -47.3 | -57 | 179.4 | -166.3 | 0 | 110.2 | K127 A128 C132 T142 L144 | K127-K130 WeakPolarHBondContact O-CE 3.31Å; K127-K130 PolarHBondContact O-NZ 3.4Å; A128-K130 PolarHBondContact O-N 3.49Å; K130-C132 PolarHBondContact O-N 2.95Å; K130-T142 WeakPolarHBondContact CA-O 3.3Å; K130-T142 WeakPolarHBondContact CB-O 3.25Å; K130-T142 PolarHBondContact N-O 3.03Å; K130-T142 PolarHBondContact O-N 2.92Å; K130-L144 HydrophobicContact CG-CD1 4.02Å; K130-L144 HydrophobicContact CG-CG 4.11Å |
| 131 | E | 89.4 | Confident | 92.7 | Very high | 127 Ų | 127 | 40.9 Ų | 40.9 | 59% | 0.593 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 54.3 | 31.5 | 167.6 | -54.8 | -177 | 131.4 | 0 | 0 | 114.7 | V133 T142 | E131-V133 PolarHBondContact O-N 3.34Å; E131-T142 VanDerWaalsContact OE2-CB 3.29Å; E131-T142 WeakPolarHBondContact OE2-CB 3.46Å; E131-T142 PolarHBondContact OE2-OG1 2.72Å |
| 132 | C | 93.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 10% | 0.101 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.5 | -177.4 | -161.9 | 0 | 0 | 0 | 0 | 111 | V129 K130 S140 A141 M395 V403 L404 | V129-C132 HydrophobicContact CG1-CB 4.49Å; K130-C132 PolarHBondContact O-N 2.95Å; C132-S140 WeakPolarHBondContact CA-O 3.45Å; C132-A141 HydrophobicContact CB-CB 4.17Å; C132-M395 HydrophobicContact CB-CG 4.43Å; C132-V403 HydrophobicContact CB-CG2 4.27Å; C132-L404 PolarHBondContact O-N 3.18Å |
| 133 | V | 94 | Very high | 92.8 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 131.4 | -174.3 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | E131 I135 S140 L404 | E131-V133 PolarHBondContact O-N 3.34Å; V133-I135 HydrophobicContact CG1-CD1 4.35Å; V133-I135 HydrophobicContact CG1-CG1 3.89Å; V133-S140 PolarHBondContact N-O 3.12Å; V133-S140 PolarHBondContact O-N 3.2Å; V133-S140 PolarHBondContact O-OG 3.38Å; V133-L404 WeakPolarHBondContact CA-O 3.28Å; V133-L404 HydrophobicContact CG1-CD2 4.34Å; V133-L404 WeakPolarHBondContact CG1-O 3.45Å; V133-L404 HydrophobicContact CG2-CB 4.36Å |
| 134 | Q | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.2 | 169.9 | -174.2 | -177.1 | -31.2 | 0 | 0 | 109 | A92 G136 H138 L139 F240 V403 L404 L405 R406 | A92-Q134 PolarHBondContact O-NE2 2.67Å; Q134-G136 WeakPolarHBondContact CG-O 3.3Å; Q134-G136 PolarHBondContact NE2-O 3.06Å; Q134-H138 CarbonylContact C-O 3.4Å; Q134-H138 WeakPolarHBondContact CA-O 3.46Å; Q134-L139 HydrophobicContact CB-CD1 4.02Å; Q134-F240 HydrophobicContact CG-CE1 4.38Å; Q134-F240 HydrophobicContact CG-CZ 3.95Å; Q134-V403 HydrophobicContact CB-CG1 3.98Å; Q134-L404 PolarHBondContact N-O 2.9Å; Q134-L404 VanDerWaalsContact O-O 3.11Å; Q134-L405 HydrophobicContact CB-CD1 3.94Å; Q134-L405 VanDerWaalsContact CD-CD1 3.43Å; Q134-L405 HydrophobicContact CG-CD1 3.75Å; Q134-L405 CarbonylContact O-C 3.51Å; Q134-L405 WeakPolarHBondContact O-CA 3.46Å; Q134-R406 PolarHBondContact O-N 3.13Å |
| 135 | I | 93.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 38 Ų | 38 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 109 | 172.4 | -54.3 | -177.1 | 0 | 0 | 0 | 106 | V133 F137 H138 R406 A407 T466 | V133-I135 HydrophobicContact CG1-CD1 4.35Å; V133-I135 HydrophobicContact CG1-CG1 3.89Å; I135-F137 PolarHBondContact O-N 2.88Å; I135-F137 VanDerWaalsContact O-N 3.09Å; I135-H138 PolarHBondContact N-O 3.04Å; I135-H138 PolarHBondContact O-N 3.11Å; I135-R406 HydrophobicContact CG1-CB 4.47Å; I135-R406 HydrophobicContact CG2-CB 4.44Å; I135-A407 VanDerWaalsContact CG2-O 3.31Å; I135-A407 WeakPolarHBondContact CG2-O 3.41Å; I135-T466 HydrophobicContact CB-CG2 4.28Å; I135-T466 HydrophobicContact CG2-CG2 3.99Å; I135-T466 WeakPolarHBondContact O-CB 3.28Å |
| 136 | G | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -117.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q134 R406 A407 T466 | Q134-G136 WeakPolarHBondContact CG-O 3.3Å; Q134-G136 PolarHBondContact NE2-O 3.06Å; G136-R406 PolarHBondContact N-O 3.32Å; G136-A407 PolarHBondContact N-O 3.14Å; G136-T466 WeakPolarHBondContact CA-O 3.17Å |
| 137 | F | 93.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 11.6 | -176.3 | -66.5 | -99.1 | 0 | 0 | 0 | 113.7 | F73 I91 A92 S95 I135 T239 F240 T466 G468 | F73-F137 HydrophobicContact CB-CD2 4.46Å; F73-F137 HydrophobicContact CB-CE1 4.32Å; F73-F137 HydrophobicContact CB-CE2 3.71Å; F73-F137 HydrophobicContact CB-CZ 3.63Å; F73-F137 AromaticContact CD1-CE2 3.8Å; F73-F137 HydrophobicContact CD1-CE2 3.8Å; F73-F137 HydrophobicContact CD1-CZ 4.46Å; F73-F137 AromaticContact CD2-CE2 3.45Å; F73-F137 HydrophobicContact CD2-CE2 3.45Å; F73-F137 VanDerWaalsContact CD2-CE2 3.45Å; F73-F137 AromaticContact CD2-CZ 3.39Å; F73-F137 HydrophobicContact CD2-CZ 3.39Å; F73-F137 HydrophobicContact CE1-CE2 4.25Å; F73-F137 AromaticContact CE2-CE2 3.94Å; F73-F137 HydrophobicContact CE2-CE2 3.94Å; F73-F137 HydrophobicContact CE2-CZ 4.13Å; F73-F137 HydrophobicContact CG-CD2 4.34Å; F73-F137 AromaticContact CG-CE2 3.36Å; F73-F137 HydrophobicContact CG-CE2 3.36Å; F73-F137 AromaticContact CG-CZ 3.58Å; F73-F137 HydrophobicContact CG-CZ 3.58Å; F73-F137 HydrophobicContact CZ-CE2 4.31Å; I91-F137 HydrophobicContact CG2-CZ 4.38Å; A92-F137 HydrophobicContact CB-CD2 4.42Å; A92-F137 HydrophobicContact CB-CE2 4.01Å; A92-F137 HydrophobicContact CB-CZ 4.18Å; S95-F137 WeakPolarHBondContact OG-CE1 3.41Å; I135-F137 PolarHBondContact O-N 2.88Å; I135-F137 VanDerWaalsContact O-N 3.09Å; F137-T239 WeakPolarHBondContact O-CA 3.2Å; F137-F240 VanDerWaalsContact C-CZ 3.5Å; F137-F240 HydrophobicContact CB-CE2 4.49Å; F137-F240 HydrophobicContact CD1-CD2 4.45Å; F137-F240 HydrophobicContact CD1-CE2 4.27Å; F137-F240 WeakPolarHBondContact CD1-O 3.3Å; F137-F240 VanDerWaalsContact O-CD1 3.25Å; F137-F240 WeakPolarHBondContact O-CD1 3.46Å; F137-F240 WeakPolarHBondContact O-CE1 3.43Å; F137-F240 PolarHBondContact O-N 2.77Å; F137-F240 VanDerWaalsContact O-N 3.1Å; F137-T466 PolarHBondContact N-O 3.18Å; F137-G468 VanDerWaalsContact CD2-N 3.35Å; F137-G468 VanDerWaalsContact CG-CA 3.43Å |
| 138 | H | 94.3 | Very high | 86.1 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 21% | 0.208 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129 | 178.2 | -173.8 | -73.9 | 0 | 0 | 0 | 111.4 | Q134 I135 L238 T466 | Q134-H138 CarbonylContact C-O 3.4Å; Q134-H138 WeakPolarHBondContact CA-O 3.46Å; I135-H138 PolarHBondContact N-O 3.04Å; I135-H138 PolarHBondContact O-N 3.11Å; H138-L238 CarbonylContact C-O 3.58Å; H138-L238 WeakPolarHBondContact CA-O 3.28Å; H138-T466 HydrophobicContact CB-CG2 3.98Å |
| 139 | L | 95.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.4 | 177.9 | 178.5 | 70.3 | 0 | 0 | 0 | 109.9 | F96 Q134 S237 L238 F240 T392 R396 V403 | F96-L139 HydrophobicContact CD2-CD2 4.28Å; F96-L139 HydrophobicContact CE2-CD2 3.53Å; F96-L139 HydrophobicContact CZ-CD2 3.98Å; Q134-L139 HydrophobicContact CB-CD1 4.02Å; L139-S237 WeakPolarHBondContact O-CA 3.37Å; L139-L238 HydrophobicContact CB-CB 4.3Å; L139-L238 HydrophobicContact CD2-CD1 3.98Å; L139-L238 HydrophobicContact CG-CD1 4.47Å; L139-L238 PolarHBondContact N-O 2.92Å; L139-L238 PolarHBondContact O-N 3.38Å; L139-F240 HydrophobicContact CB-CD1 4.47Å; L139-F240 HydrophobicContact CB-CE1 3.95Å; L139-T392 HydrophobicContact CD2-CG2 4.26Å; L139-T392 HydrophobicContact CG-CG2 4.44Å; L139-R396 HydrophobicContact CD2-CB 3.83Å; L139-R396 HydrophobicContact CD2-CG 3.95Å; L139-V403 HydrophobicContact CD1-CG1 3.71Å |
| 140 | S | 95.1 | Very high | 80.4 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.6 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | C132 V133 V236 | C132-S140 WeakPolarHBondContact CA-O 3.45Å; V133-S140 PolarHBondContact N-O 3.12Å; V133-S140 PolarHBondContact O-N 3.2Å; V133-S140 PolarHBondContact O-OG 3.38Å; S140-V236 WeakPolarHBondContact CA-O 3.38Å |
| 141 | A | 95.3 | Very high | 77.5 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 163.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V129 C132 V236 T392 | V129-A141 HydrophobicContact CG1-CB 3.9Å; C132-A141 HydrophobicContact CB-CB 4.17Å; A141-V236 PolarHBondContact N-O 3.16Å; A141-V236 VanDerWaalsContact N-O 3.14Å; A141-V236 PolarHBondContact O-N 3.21Å; A141-T392 HydrophobicContact CB-CG2 3.67Å |
| 142 | T | 93.8 | Very high | 74.6 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.5 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | K130 E131 A233 H234 | K130-T142 WeakPolarHBondContact CA-O 3.3Å; K130-T142 WeakPolarHBondContact CB-O 3.25Å; K130-T142 PolarHBondContact N-O 3.03Å; K130-T142 PolarHBondContact O-N 2.92Å; E131-T142 VanDerWaalsContact OE2-CB 3.29Å; E131-T142 WeakPolarHBondContact OE2-CB 3.46Å; E131-T142 PolarHBondContact OE2-OG1 2.72Å; T142-A233 HydrophobicContact CG2-CB 3.99Å; T142-H234 CarbonylContact C-O 3.5Å |
| 143 | V | 92.6 | Very high | 71.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114 | 179.9 | -167.3 | 0 | 0 | 0 | 0 | 109.8 | L123 A128 V129 H234 V236 H388 | L123-V143 HydrophobicContact CD1-CG1 4.47Å; A128-V143 HydrophobicContact CB-CG1 4.48Å; V129-V143 HydrophobicContact CG1-CG2 4.44Å; V129-V143 HydrophobicContact CG2-CG1 4.24Å; V129-V143 HydrophobicContact CG2-CG2 4.14Å; V143-H234 PolarHBondContact N-O 3.24Å; V143-H234 PolarHBondContact O-N 3.2Å; V143-V236 HydrophobicContact CG2-CG2 3.95Å; V143-H388 HydrophobicContact CB-CB 4.21Å; V143-H388 HydrophobicContact CG1-CB 4.49Å; V143-H388 HydrophobicContact CG2-CB 4.14Å |
| 144 | L | 89.9 | Confident | 68.6 | Low | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 142.6 | 172.4 | -55.4 | 179.9 | 0 | 0 | 0 | 109.3 | A128 K130 A233 | A128-L144 VanDerWaalsContact CB-O 3.31Å; A128-L144 WeakPolarHBondContact CB-O 3.36Å; A128-L144 PolarHBondContact O-N 2.71Å; K130-L144 HydrophobicContact CG-CD1 4.02Å; K130-L144 HydrophobicContact CG-CG 4.11Å; L144-A233 HydrophobicContact CD2-CB 3.67Å |
| 145 | T | 80.1 | Confident | 65.6 | Low | 33 Ų | 33 | 63.7 Ų | 63.7 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | trans | -119.6 | 115.6 | 172.7 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | P232 H234 H388 | T145-P232 PolarHBondContact N-O 3.43Å; T145-P232 WeakPolarHBondContact O-CD 3.36Å; T145-P232 WeakPolarHBondContact O-CG 3.15Å; T145-H234 PolarHBondContact OG1-CD2 3.04Å; T145-H388 PolarHBondContact OG1-NE2 3.3Å | ||
| 146 | S | 60.2 | Low | 62.7 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | trans | -70 | 137.2 | 173.3 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | H148 | S146-H148 PolarHBondContact O-N 3.26Š| ||
| 147 | L | 47.5 | Very low | 59.8 | Low | 149 Ų | 149 | 70.2 Ų | 70.2 | 78% | 0.78 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 49.9 | -176.4 | -124.2 | 167.5 | 0 | 0 | 0 | 112.3 | ||
| 148 | H | 37.2 | Very low | 56.8 | Low | 177 Ų | 177 | 75.6 Ų | 75.6 | 82% | 0.819 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.4 | 18.7 | -169.9 | -124 | -71.2 | 0 | 0 | 0 | 117.2 | S146 | S146-H148 PolarHBondContact O-N 3.26Š|
| 149 | I | 36 | Very low | 53.8 | Low | 103 Ų | 103 | 79.3 Ų | 79.3 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | trans | -120.2 | 78.2 | 168.5 | -48.1 | 179.8 | 0 | 0 | 0 | 110.3 | ||||
| 150 | A | 28.8 | Very low | 50.7 | Low | 82 Ų | 82 | 86.7 Ų | 86.7 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -113.5 | 141 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | A152 | A150-A152 PolarHBondContact O-N 3.48Š|
| 151 | P | 30.7 | Very low | 47.7 | Very low | 127 Ų | 127 | 92.8 Ų | 92.8 | 83% | 0.825 | 54% | 0.537 | S | S | * | . | trans | -64 | 113.8 | 176.3 | 26.4 | -33 | 0 | 0 | 0 | 109.1 | F153 | P151-F153 PolarHBondContact O-N 3.16Š| ||
| 152 | A | 28.2 | Very low | 44.6 | Very low | 88 Ų | 88 | 99.5 Ų | 99.5 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -67.1 | 99.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A150 V154 | A150-A152 PolarHBondContact O-N 3.48Å; A152-V154 VanDerWaalsContact C-N 3.31Å; A152-V154 PolarHBondContact O-N 3.1Å | ||
| 153 | F | 27.9 | Very low | 41.6 | Very low | 130 Ų | 130 | 101.4 Ų | 101.4 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | trans | -68.7 | 90.1 | 170.1 | -168.7 | -79.2 | 0 | 0 | 0 | 108.6 | P151 P155 W357 | P151-F153 PolarHBondContact O-N 3.16Å; F153-P155 VanDerWaalsContact O-CD 3.24Å; F153-P155 WeakPolarHBondContact O-CD 3.37Å; F153-W357 HydrophobicContact CD2-CZ2 4.1Å; F153-W357 AromaticContact CE2-CD2 3.7Å; F153-W357 HydrophobicContact CE2-CD2 3.7Å; F153-W357 AromaticContact CE2-CE2 3.37Å; F153-W357 HydrophobicContact CE2-CE3 4.02Å; F153-W357 HydrophobicContact CE2-CG 4.35Å; F153-W357 AromaticContact CE2-CH2 3.83Å; F153-W357 HydrophobicContact CE2-CH2 3.83Å; F153-W357 AromaticContact CE2-CZ2 3.47Å; F153-W357 HydrophobicContact CE2-CZ2 3.47Å; F153-W357 VanDerWaalsContact CE2-CZ2 3.47Å; F153-W357 HydrophobicContact CE2-CZ3 4.07Å; F153-W357 AromaticContact CE2-NE1 3.77Å; F153-W357 AromaticContact CZ-CD1 3.99Å; F153-W357 AromaticContact CZ-CD2 3.75Å; F153-W357 HydrophobicContact CZ-CD2 3.75Å; F153-W357 AromaticContact CZ-CE2 3.79Å; F153-W357 HydrophobicContact CZ-CE3 4.23Å; F153-W357 AromaticContact CZ-CG 3.96Å; F153-W357 HydrophobicContact CZ-CG 3.96Å; F153-W357 HydrophobicContact CZ-CZ2 4.34Å; F153-W357 AromaticContact CZ-NE1 3.89Å | ||
| 154 | V | 32.3 | Very low | 38.7 | Very low | 116 Ų | 116 | 107.3 Ų | 107.3 | 70% | 0.703 | 63% | 0.632 | S | S | * | * | trans | -75.7 | 113.2 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | A152 | A152-V154 VanDerWaalsContact C-N 3.31Å; A152-V154 PolarHBondContact O-N 3.1Å | ||
| 155 | P | 32.8 | Very low | 35.9 | Very low | 92 Ų | 92 | 112 Ų | 112 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | trans | -71.2 | 139.4 | 174.3 | 30.9 | -34 | 0 | 0 | 0 | 109.9 | F153 A157 | F153-P155 VanDerWaalsContact O-CD 3.24Å; F153-P155 WeakPolarHBondContact O-CD 3.37Å; P155-A157 PolarHBondContact O-N 3Å; P155-A157 VanDerWaalsContact O-N 3.09Å | ||
| 156 | P | 32.2 | Very low | 33.6 | Very low | 73 Ų | 73 | 116 Ų | 116 | 47% | 0.474 | 68% | 0.678 | S | S | . | * | trans | -72 | 105.7 | 177.5 | 28.5 | -32.9 | 0 | 0 | 0 | 110.6 | N158 | P156-N158 PolarHBondContact O-N 3.25Š| ||
| 157 | A | 31.2 | Very low | 32.4 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | trans | -75.4 | 100.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | P155 | P155-A157 PolarHBondContact O-N 3Å; P155-A157 VanDerWaalsContact O-N 3.09Å | ||
| 158 | N | 31.8 | Very low | 31.9 | Very low | 117 Ų | 117 | 118 Ų | 118 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | trans | -93.9 | 126.4 | 177 | -73 | -12.2 | 0 | 0 | 0 | 111 | P156 | P156-N158 PolarHBondContact O-N 3.25Š| ||
| 159 | N | 31.4 | Very low | 31.7 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | 68 | 149 | 151.3 | -60.2 | 32.9 | 0 | 0 | 0 | 116.9 | ||||
| 160 | E | 30.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | cis | -159.3 | 178.7 | -13.8 | -116 | 158.3 | 162.6 | 0 | 0 | 107.4 | ||||
| 161 | E | 31 | Very low | 31.9 | Very low | 163 Ų | 163 | 121 Ų | 121 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | 56 | 115 | 160 | -79.6 | -170.2 | -138.8 | 0 | 0 | 118.1 | ||||
| 162 | N | 31 | Very low | 32.2 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | cis | -175.4 | 173.9 | 42.3 | -100.8 | -48.2 | 0 | 0 | 0 | 110.4 | ||||
| 163 | G | 31 | Very low | 32.2 | Very low | 61 Ų | 61 | 121.2 Ų | 121.2 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | trans | 103.3 | 45 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 164 | T | 31.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | 47.6 | 133.6 | 135.2 | 57.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 165 | N | 30.8 | Very low | 32.2 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | 90.1 | 108.2 | 136.6 | -68.6 | 2.6 | 0 | 0 | 0 | 122.1 | ||||
| 166 | N | 32.4 | Very low | 32.1 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | 95.8 | 104.4 | 116.7 | -66.8 | 2.3 | 0 | 0 | 0 | 121.6 | |||||
| 167 | N | 34.5 | Very low | 32 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | 99.1 | 126.5 | 115 | -67.8 | -0.2 | 0 | 0 | 0 | 121.3 | |||||
| 168 | N | 36.2 | Very low | 31.8 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | 86.8 | 95 | 140.5 | -61.8 | -5.1 | 0 | 0 | 0 | 121.3 | ||||
| 169 | N | 33.5 | Very low | 31.8 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | 78.6 | 131.1 | 115.4 | -59.3 | -7.9 | 0 | 0 | 0 | 121.9 | |||||
| 170 | N | 35.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 79.9 | 96.3 | 147 | -57.5 | -12.3 | 0 | 0 | 0 | 120.3 | ||||
| 171 | N | 32.9 | Very low | 31.5 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | 33.9 | 148.2 | 120.5 | -73.1 | -3.6 | 0 | 0 | 0 | 121.9 | |||||
| 172 | P | 36.7 | Very low | 31.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -143.6 | -179.5 | -33.7 | 40.2 | -22.6 | 0 | 0 | 0 | 114.7 | ||||
| 173 | S | 28.8 | Very low | 31.3 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 81.9 | 151 | 154.8 | 81.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 174 | S | 31.1 | Very low | 31.2 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | 78.3 | 93.7 | 160.9 | -171.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 175 | I | 28.5 | Very low | 31.4 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | 63.2 | 111.1 | 133.2 | -55.2 | 168 | 0 | 0 | 0 | 118.3 | ||||
| 176 | G | 31.7 | Very low | 31.4 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | -147 | 111.4 | 161 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 177 | H | 30.7 | Very low | 31.3 | Very low | 177 Ų | 177 | 137 Ų | 137 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | trans | -75.8 | 143.2 | 175.3 | -102.9 | 33.5 | 0 | 0 | 0 | 111.5 | ||||
| 178 | F | 27.1 | Very low | 31 | Very low | 204 Ų | 204 | 138 Ų | 138 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -138 | 94.8 | 160.1 | -113.6 | -83.3 | 0 | 0 | 0 | 113.1 | ||||
| 179 | I | 30.6 | Very low | 30.7 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | 5.3 | 131.2 | 154.1 | -53.4 | 177.5 | 0 | 0 | 0 | 118.2 | ||||
| 180 | P | 28 | Very low | 30.7 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | -82.5 | 163.9 | 176.5 | 36.1 | -37.3 | 0 | 0 | 0 | 114 | ||||
| 181 | Y | 28.6 | Very low | 30.4 | Very low | 235 Ų | 235 | 142 Ų | 142 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 132.3 | 167.1 | -99.9 | -89.9 | 0 | 0 | 0 | 111.8 | ||||
| 182 | V | 27.4 | Very low | 30.2 | Very low | 108 Ų | 108 | 147 Ų | 147 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | trans | -105.1 | 135.4 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | N184 | V182-N184 HydrophobicContact CG1-CB 4.26Š| ||
| 183 | I | 31.3 | Very low | 30 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -124.9 | 109 | 156.1 | -59.7 | -178.8 | 0 | 0 | 0 | 106.7 | ||||
| 184 | N | 28.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 153.6 | -177.6 | -141 | 28 | 0 | 0 | 0 | 110.2 | V182 | V182-N184 HydrophobicContact CG1-CB 4.26Š| ||
| 185 | P | 35.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 173.4 | -172.8 | 35.9 | -36 | 0 | 0 | 0 | 112.7 | ||||
| 186 | N | 29.2 | Very low | 30.4 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -131.9 | 128.5 | 168.2 | -159.4 | 30.8 | 0 | 0 | 0 | 109.9 | ||||
| 187 | P | 32.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 152 Ų | 152 | 59% | 0.591 | 79% | 0.788 | S | S | * | * | trans | -98.9 | 178.9 | -174.5 | 38.8 | -36.4 | 0 | 0 | 0 | 114 | ||||
| 188 | N | 26.5 | Very low | 30.4 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 81.9 | 99.5 | 163.8 | -53.8 | -31.3 | 0 | 0 | 0 | 118.7 | ||||
| 189 | D | 31.4 | Very low | 30.7 | Very low | 161 Ų | 161 | 147 Ų | 147 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -169.4 | 139.5 | 143.4 | -105.7 | -21.8 | 0 | 0 | 0 | 107.1 | ||||
| 190 | T | 33 | Very low | 30.8 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | cis | -143.6 | 146.7 | -3.1 | 33.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 191 | Q | 29.3 | Very low | 31 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | trans | -140.2 | 136.4 | 149 | -82.7 | -158.2 | -1.3 | 0 | 0 | 109.6 | ||||
| 192 | R | 28.3 | Very low | 31.2 | Very low | 256 Ų | 256 | 141.7 Ų | 141.7 | 97% | 0.966 | 78% | 0.778 | S | S | * | * | trans | -145.1 | 101.5 | -177.9 | -176 | -173.6 | -175.3 | -159.8 | 2.1 | 110.4 | ||||
| 193 | G | 31.8 | Very low | 31.5 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 173.4 | 70.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 194 | Q | 34.2 | Very low | 31.7 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | 63.1 | 142.7 | 151.8 | -60.2 | 168.2 | -2.1 | 0 | 0 | 117.8 | ||||
| 195 | S | 32.6 | Very low | 32 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | -168.2 | 152.7 | -12.2 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 196 | N | 30.6 | Very low | 31.9 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 81 | 121.1 | 146.4 | -69.6 | 2.1 | 0 | 0 | 0 | 122.9 | ||||
| 197 | F | 30.4 | Very low | 32.1 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | 90.2 | 102.4 | 139.4 | -83.6 | -115.9 | 0 | 0 | 0 | 122.9 | ||||
| 198 | E | 33 | Very low | 32.3 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | 64.8 | 151.4 | 126 | -63.9 | -173.6 | 160.7 | 0 | 0 | 123.3 | |||||
| 199 | N | 32.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | cis | -169.2 | 164 | -34.2 | -155.9 | -7.6 | 0 | 0 | 0 | 110.8 | ||||
| 200 | F | 32.3 | Very low | 32.5 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | 64.9 | 152.7 | 172 | -56.8 | -77.3 | 0 | 0 | 0 | 118.4 | ||||
| 201 | G | 33.2 | Very low | 32.6 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -170.1 | 156.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 202 | A | 32 | Very low | 32.7 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -101.1 | 169 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 203 | A | 34.7 | Very low | 33.1 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -167.2 | 161.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 204 | N | 34.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -115.6 | -160.9 | -165.6 | -48.2 | -17.2 | 0 | 0 | 0 | 112.3 | ||||
| 205 | E | 34.8 | Very low | 33.1 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -163.7 | 127.6 | 7.7 | -144.5 | 154.6 | -73.1 | 0 | 0 | 114 | ||||
| 206 | N | 33.1 | Very low | 33 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 46.4 | 160.7 | 135.9 | -65.7 | -30.5 | 0 | 0 | 0 | 126.6 | ||||
| 207 | T | 34.5 | Very low | 33.2 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | 71.5 | 144.6 | 151.9 | 37 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 208 | V | 35.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | -166.5 | 158.2 | -15.1 | 86.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 209 | N | 33 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | trans | 59.3 | 127.3 | 154.6 | -66 | -21.2 | 0 | 0 | 0 | 126.4 | ||||
| 210 | N | 29.9 | Very low | 33.1 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 31.6 | 136.9 | 130.7 | -55.2 | -16.3 | 0 | 0 | 0 | 121.6 | ||||
| 211 | T | 35.6 | Very low | 32.9 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | -168.2 | 155.1 | 64.9 | 35.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 212 | N | 31.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 13.6 | 125.9 | 150.5 | -50.5 | -7.2 | 0 | 0 | 0 | 121.5 | ||||
| 213 | N | 35.5 | Very low | 32.4 | Very low | 154 Ų | 154 | 152.7 Ų | 152.7 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | 173.8 | 161.4 | 94.4 | -99.4 | -43.5 | 0 | 0 | 0 | 115.7 | |||||
| 214 | N | 31.4 | Very low | 32.1 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -61.6 | 145.4 | -175.6 | -65.2 | -41.4 | 0 | 0 | 0 | 115.8 | ||||
| 215 | G | 34.5 | Very low | 32 | Very low | 75 Ų | 75 | 152.9 Ų | 152.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -167.1 | 90.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 216 | N | 30.9 | Very low | 31.8 | Very low | 155 Ų | 155 | 153.2 Ų | 153.2 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -65.4 | 135 | 175.9 | -74.3 | -30.7 | 0 | 0 | 0 | 111.5 | ||||
| 217 | N | 35.7 | Very low | 32.1 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | -172.2 | 133 | 127.4 | -98 | -42 | 0 | 0 | 0 | 114.9 | |||||
| 218 | N | 30.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -46 | 135.4 | -178.9 | -60.2 | -56.5 | 0 | 0 | 0 | 117.2 | ||||
| 219 | R | 32.7 | Very low | 32.3 | Very low | 247 Ų | 247 | 153.3 Ų | 153.3 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -162.6 | 90 | 140.9 | -109 | 161.3 | -159.2 | -143.1 | 3.5 | 115.6 | ||||
| 220 | L | 29.4 | Very low | 33.2 | Very low | 141 Ų | 141 | 154 Ų | 154 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 41.8 | 113.9 | 140.6 | -96.1 | 68.4 | 0 | 0 | 0 | 122.8 | ||||
| 221 | R | 27.5 | Very low | 34.7 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | 90.3 | 121 | 133.7 | -58.5 | -170.5 | -175.4 | -148.2 | -2.8 | 122 | ||||
| 222 | K | 27.9 | Very low | 36.6 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | 59.3 | 94.4 | 146.4 | -71 | -169.4 | 170.6 | -171.3 | 0 | 118.7 | ||||
| 223 | R | 27.6 | Very low | 39.1 | Very low | 252 Ų | 252 | 146 Ų | 146 | 95% | 0.951 | 75% | 0.751 | S | S | * | * | trans | -122 | 162.6 | 138.5 | -83.1 | -171.8 | 169 | -168.9 | -3.9 | 109.5 | ||||
| 224 | G | 27.8 | Very low | 41.7 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 167.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 225 | I | 32.5 | Very low | 44.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 120.3 | 172.4 | -61.4 | 170.8 | 0 | 0 | 0 | 107.6 | ||
| 226 | N | 30.9 | Very low | 47.4 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 140.5 | 164.1 | -75.4 | -26.7 | 0 | 0 | 0 | 108.9 | ||
| 227 | I | 39 | Very low | 50.4 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 57% | 0.574 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 132.3 | 174.6 | -57.9 | 173.6 | 0 | 0 | 0 | 107.8 | ||
| 228 | E | 34.2 | Very low | 53.1 | Low | 155 Ų | 155 | 124.1 Ų | 124.1 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 149.7 | 173.2 | -75.8 | -178.8 | 129.8 | 0 | 0 | 111.3 | D230 | E228-D230 PolarHBondContact O-N 3.13Š|
| 229 | P | 39.5 | Very low | 56.1 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -17.5 | -153.2 | -19.6 | 35 | 0 | 0 | 0 | 116.7 | ||
| 230 | D | 52.7 | Low | 59 | Low | 142 Ų | 142 | 107.2 Ų | 107.2 | 76% | 0.759 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 15.2 | -153.6 | -59.8 | -35.8 | 0 | 0 | 0 | 115.8 | E228 | E228-D230 PolarHBondContact O-N 3.13Š|
| 231 | Y | 60.5 | Low | 62 | Low | 126 Ų | 126 | 100.7 Ų | 100.7 | 49% | 0.494 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -105.3 | 126.4 | 177.4 | -67 | -82.8 | 0 | 0 | 0 | 112.3 | A233 | Y231-A233 PolarHBondContact O-N 3.44Š|
| 232 | P | 76.7 | Confident | 65 | Low | 55 Ų | 55 | 92 Ų | 92 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | trans | -62.4 | 120.1 | 172.5 | 24 | -31.6 | 0 | 0 | 0 | 110.6 | T145 | T145-P232 PolarHBondContact N-O 3.43Å; T145-P232 WeakPolarHBondContact O-CD 3.36Å; T145-P232 WeakPolarHBondContact O-CG 3.15Å | ||
| 233 | A | 83.5 | Confident | 68 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 107.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T142 L144 Y231 | T142-A233 HydrophobicContact CG2-CB 3.99Å; L144-A233 HydrophobicContact CD2-CB 3.67Å; Y231-A233 PolarHBondContact O-N 3.44Å |
| 234 | H | 89.7 | Confident | 71.1 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 19% | 0.185 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.2 | 179.9 | -63.9 | -79.6 | 0 | 0 | 0 | 110.9 | T142 V143 T145 T251 H388 | T142-H234 CarbonylContact C-O 3.5Å; V143-H234 PolarHBondContact N-O 3.24Å; V143-H234 PolarHBondContact O-N 3.2Å; T145-H234 PolarHBondContact OG1-CD2 3.04Å; H234-T251 VanDerWaalsContact CA-OG1 3.26Å; H234-T251 WeakPolarHBondContact CA-OG1 3.37Å; H234-H388 AromaticContact CD2-CE1 3.38Å; H234-H388 PolarHBondContact CD2-CE1 3.31Å; H234-H388 AromaticContact CD2-NE2 3.31Å; H234-H388 PolarHBondContact CD2-NE2 3.46Å; H234-H388 VanDerWaalsContact CD2-NE2 3.31Å; H234-H388 AromaticContact CG-CE1 3.64Å; H234-H388 AromaticContact CG-ND1 3.93Å; H234-H388 AromaticContact CG-NE2 3.87Å; H234-H388 AromaticContact NE2-CE1 3.79Å; H234-H388 AromaticContact NE2-NE2 3.97Å |
| 235 | R | 91.6 | Very high | 74.2 | Confident | 169 Ų | 169 | 72.2 Ų | 72.2 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.4 | 172.5 | -60.1 | 179.3 | -179.6 | -146.1 | -7.4 | 109.6 | C250 T251 | R235-C250 WeakPolarHBondContact O-CA 3.17Å; R235-T251 HydrophobicContact CB-CG2 3.94Å; R235-T251 PolarHBondContact N-OG1 3.09Å; R235-T251 PolarHBondContact O-N 3.06Å; R235-T251 PolarHBondContact O-OG1 3.38Å |
| 236 | V | 94.2 | Very high | 76.9 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.1 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | S140 A141 V143 L238 S249 C250 H388 V389 T392 | S140-V236 WeakPolarHBondContact CA-O 3.38Å; A141-V236 PolarHBondContact N-O 3.16Å; A141-V236 VanDerWaalsContact N-O 3.14Å; A141-V236 PolarHBondContact O-N 3.21Å; V143-V236 HydrophobicContact CG2-CG2 3.95Å; V236-L238 HydrophobicContact CG1-CD1 4.19Å; V236-L238 HydrophobicContact CG1-CD2 4.13Å; V236-L238 HydrophobicContact CG1-CG 3.94Å; V236-S249 WeakPolarHBondContact CA-O 3.24Å; V236-C250 HydrophobicContact CG2-CB 4.28Å; V236-H388 HydrophobicContact CG2-CB 3.78Å; V236-V389 HydrophobicContact CG1-CG2 4.03Å; V236-T392 HydrophobicContact CG1-CG2 4.09Å |
| 237 | S | 93.3 | Very high | 79.7 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.8 | 169.3 | -72.4 | 0 | 0 | 0 | 0 | 110.7 | L139 S249 | L139-S237 WeakPolarHBondContact O-CA 3.37Å; S237-S249 PolarHBondContact N-O 3.38Å; S237-S249 PolarHBondContact O-N 2.89Å; S237-S249 PolarHBondContact O-OG 3.03Å |
| 238 | L | 93.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.5 | -170.2 | -55.1 | 169.2 | 0 | 0 | 0 | 108.6 | H138 L139 V236 I245 S247 C248 V389 T392 | H138-L238 CarbonylContact C-O 3.58Å; H138-L238 WeakPolarHBondContact CA-O 3.28Å; L139-L238 HydrophobicContact CB-CB 4.3Å; L139-L238 HydrophobicContact CD2-CD1 3.98Å; L139-L238 HydrophobicContact CG-CD1 4.47Å; L139-L238 PolarHBondContact N-O 2.92Å; L139-L238 PolarHBondContact O-N 3.38Å; V236-L238 HydrophobicContact CG1-CD1 4.19Å; V236-L238 HydrophobicContact CG1-CD2 4.13Å; V236-L238 HydrophobicContact CG1-CG 3.94Å; L238-I245 HydrophobicContact CD2-CG2 4.41Å; L238-S247 WeakPolarHBondContact CA-O 3.31Å; L238-C248 HydrophobicContact CD2-CB 3.34Å; L238-V389 HydrophobicContact CD2-CG1 3.83Å; L238-V389 HydrophobicContact CD2-CG2 4.19Å; L238-T392 HydrophobicContact CD1-CG2 3.85Å |
| 239 | T | 93.4 | Very high | 84.9 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151.4 | 164.4 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | F137 I245 T246 S247 | F137-T239 WeakPolarHBondContact O-CA 3.2Å; T239-I245 CarbonylContact O-C 3.42Å; T239-I245 WeakPolarHBondContact O-CA 3.47Å; T239-I245 WeakPolarHBondContact O-CG2 3.44Å; T239-T246 WeakPolarHBondContact CB-OG1 3.33Å; T239-T246 PolarHBondContact O-N 3.44Å; T239-T246 PolarHBondContact O-OG1 3.43Å; T239-T246 PolarHBondContact OG1-OG1 2.79Å; T239-S247 PolarHBondContact N-O 2.95Å; T239-S247 PolarHBondContact O-N 3.38Å; T239-S247 WeakPolarHBondContact OG1-CB 3.41Å; T239-S247 PolarHBondContact OG1-N 3.24Å; T239-S247 VanDerWaalsContact OG1-N 3.09Å; T239-S247 PolarHBondContact OG1-OG 2.67Å |
| 240 | F | 94 | Very high | 87.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 148.5 | 178.4 | 53.9 | -86.2 | 0 | 0 | 0 | 111 | S95 F96 Q134 F137 L139 R244 I245 T246 | S95-F240 WeakPolarHBondContact O-CD2 3.44Å; F96-F240 HydrophobicContact CB-CD2 3.99Å; F96-F240 HydrophobicContact CB-CE2 3.98Å; F96-F240 HydrophobicContact CB-CG 4.46Å; F96-F240 HydrophobicContact CB-CZ 4.45Å; F96-F240 HydrophobicContact CD2-CB 4.37Å; F96-F240 AromaticContact CD2-CD1 3.55Å; F96-F240 HydrophobicContact CD2-CD1 3.55Å; F96-F240 HydrophobicContact CD2-CD2 4.08Å; F96-F240 AromaticContact CD2-CE1 3.81Å; F96-F240 HydrophobicContact CD2-CE1 3.81Å; F96-F240 HydrophobicContact CD2-CE2 4.3Å; F96-F240 AromaticContact CD2-CG 3.71Å; F96-F240 HydrophobicContact CD2-CG 3.71Å; F96-F240 HydrophobicContact CD2-CZ 4.19Å; F96-F240 HydrophobicContact CE2-CD1 4.08Å; F96-F240 HydrophobicContact CE2-CG 4.46Å; Q134-F240 HydrophobicContact CG-CE1 4.38Å; Q134-F240 HydrophobicContact CG-CZ 3.95Å; F137-F240 VanDerWaalsContact C-CZ 3.5Å; F137-F240 HydrophobicContact CB-CE2 4.49Å; F137-F240 HydrophobicContact CD1-CD2 4.45Å; F137-F240 HydrophobicContact CD1-CE2 4.27Å; F137-F240 WeakPolarHBondContact CD1-O 3.3Å; F137-F240 VanDerWaalsContact O-CD1 3.25Å; F137-F240 WeakPolarHBondContact O-CD1 3.46Å; F137-F240 WeakPolarHBondContact O-CE1 3.43Å; F137-F240 PolarHBondContact O-N 2.77Å; F137-F240 VanDerWaalsContact O-N 3.1Å; L139-F240 HydrophobicContact CB-CD1 4.47Å; L139-F240 HydrophobicContact CB-CE1 3.95Å; F240-R244 CarbonylContact C-O 3.52Å; F240-R244 WeakPolarHBondContact CA-O 3.48Å; F240-R244 VanDerWaalsContact CB-O 3.23Å; F240-R244 WeakPolarHBondContact CB-O 3.47Å; F240-I245 HydrophobicContact CB-CG1 4.49Å; F240-T246 PolarHBondContact N-OG1 2.95Å |
| 241 | D | 91.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.4 | 176 | -179.7 | 35.6 | 0 | 0 | 0 | 109.5 | Q243 R244 T246 | D241-Q243 PolarHBondContact O-N 3.49Å; D241-Q243 VanDerWaalsContact O-N 3.08Å; D241-R244 PolarHBondContact N-O 2.77Å; D241-R244 PolarHBondContact O-N 3.45Å; D241-T246 HydrophobicContact CB-CG2 3.93Å |
| 242 | R | 90.8 | Very high | 90.3 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.2 | 51.2 | 178 | -72.7 | 166.1 | -77.8 | 167.5 | -0.9 | 113.5 | A68 R244 D473 A475 | A68-R242 WeakPolarHBondContact O-CA 3.43Å; R242-R244 VanDerWaalsContact C-N 3.34Å; R242-R244 PolarHBondContact O-N 3Å; R242-R244 PolarHBondContact O-NH1 3.28Å; R242-D473 PolarHBondContact NH1-O 3Å; R242-D473 PolarHBondContact NH2-O 3.34Å; R242-A475 HydrophobicContact CB-CB 3.84Å |
| 243 | Q | 91.8 | Very high | 90.1 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 29.6 | 180 | -60.7 | -174.7 | -5.9 | 0 | 0 | 115.9 | L69 H94 S95 P97 D241 | L69-Q243 HydrophobicContact CD1-CB 4.47Å; L69-Q243 HydrophobicContact CD1-CG 4.4Å; H94-Q243 WeakPolarHBondContact O-CG 3.08Å; H94-Q243 PolarHBondContact O-NE2 2.89Å; S95-Q243 WeakPolarHBondContact O-CA 3.25Å; S95-Q243 PolarHBondContact O-N 3.32Å; P97-Q243 WeakPolarHBondContact CB-O 3.34Å; D241-Q243 PolarHBondContact O-N 3.49Å; D241-Q243 VanDerWaalsContact O-N 3.08Å |
| 244 | R | 90.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.2 | 176.7 | -58.5 | 171.3 | 176.9 | 84.7 | -13.9 | 110.1 | F240 D241 R242 T246 A475 W477 | F240-R244 CarbonylContact C-O 3.52Å; F240-R244 WeakPolarHBondContact CA-O 3.48Å; F240-R244 VanDerWaalsContact CB-O 3.23Å; F240-R244 WeakPolarHBondContact CB-O 3.47Å; D241-R244 PolarHBondContact N-O 2.77Å; D241-R244 PolarHBondContact O-N 3.45Å; R242-R244 VanDerWaalsContact C-N 3.34Å; R242-R244 PolarHBondContact O-N 3Å; R242-R244 PolarHBondContact O-NH1 3.28Å; R244-T246 PolarHBondContact O-N 3.28Å; R244-A475 WeakPolarHBondContact CD-O 3.22Å; R244-A475 PolarHBondContact NE-O 2.88Å; R244-W477 HydrophobicContact CB-CD2 3.94Å; R244-W477 HydrophobicContact CB-CE3 4.45Å; R244-W477 HydrophobicContact CB-CG 4.11Å; R244-W477 HydrophobicContact CG-CD2 4.27Å; R244-W477 HydrophobicContact CG-CG 4.31Å; R244-W477 HydrophobicContact CG-CZ2 4.45Å |
| 245 | I | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 113.6 | 171.9 | -62.3 | -178.4 | 0 | 0 | 0 | 108 | F96 P97 I103 L238 T239 F240 S247 C248 W385 C393 W477 C478 | F96-I245 HydrophobicContact CE2-CD1 4.38Å; F96-I245 HydrophobicContact CZ-CD1 4.27Å; P97-I245 HydrophobicContact CG-CD1 4.39Å; P97-I245 HydrophobicContact CG-CG1 3.92Å; I103-I245 HydrophobicContact CD1-CD1 3.96Å; L238-I245 HydrophobicContact CD2-CG2 4.41Å; T239-I245 CarbonylContact O-C 3.42Å; T239-I245 WeakPolarHBondContact O-CA 3.47Å; T239-I245 WeakPolarHBondContact O-CG2 3.44Å; F240-I245 HydrophobicContact CB-CG1 4.49Å; I245-S247 WeakPolarHBondContact CG2-O 3.42Å; I245-C248 HydrophobicContact CG2-CB 4.43Å; I245-W385 HydrophobicContact CB-CH2 4.25Å; I245-W385 HydrophobicContact CB-CZ2 4.36Å; I245-W385 HydrophobicContact CD1-CH2 3.89Å; I245-W385 HydrophobicContact CD1-CZ3 4.32Å; I245-W385 HydrophobicContact CG1-CH2 4.47Å; I245-C393 WeakPolarHBondContact CD1-SG 3.4Å; I245-W477 HydrophobicContact CB-CE3 3.95Å; I245-W477 HydrophobicContact CB-CZ3 3.96Å; I245-W477 HydrophobicContact CD1-CZ3 4.36Å; I245-W477 HydrophobicContact CG1-CE3 4.38Å; I245-W477 HydrophobicContact CG1-CZ3 3.87Å; I245-W477 VanDerWaalsContact N-CE3 3.25Å; I245-W477 CarbonylContact O-C 3.55Å; I245-W477 VanDerWaalsContact O-CA 3.3Å; I245-W477 WeakPolarHBondContact O-CA 3.46Å; I245-C478 PolarHBondContact O-N 2.93Å; I245-C478 PolarHBondContact O-SG 3.42Å; I245-C478 VanDerWaalsContact O-SG 3.32Å |
| 246 | T | 90.4 | Very high | 84.6 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -22.6 | -172.9 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | T239 F240 D241 R244 C478 | T239-T246 WeakPolarHBondContact CB-OG1 3.33Å; T239-T246 PolarHBondContact O-N 3.44Å; T239-T246 PolarHBondContact O-OG1 3.43Å; T239-T246 PolarHBondContact OG1-OG1 2.79Å; F240-T246 PolarHBondContact N-OG1 2.95Å; D241-T246 HydrophobicContact CB-CG2 3.93Å; R244-T246 PolarHBondContact O-N 3.28Å; T246-C478 WeakPolarHBondContact O-CB 3.38Å |
| 247 | S | 89.9 | Confident | 81.8 | Confident | 52 Ų | 52 | 43 Ų | 43 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 151.3 | 167 | 77.3 | 0 | 0 | 0 | 0 | 111 | L238 T239 I245 | L238-S247 WeakPolarHBondContact CA-O 3.31Å; T239-S247 PolarHBondContact N-O 2.95Å; T239-S247 PolarHBondContact O-N 3.38Å; T239-S247 WeakPolarHBondContact OG1-CB 3.41Å; T239-S247 PolarHBondContact OG1-N 3.24Å; T239-S247 VanDerWaalsContact OG1-N 3.09Å; T239-S247 PolarHBondContact OG1-OG 2.67Å; I245-S247 WeakPolarHBondContact CG2-O 3.42Å |
| 248 | C | 91.3 | Very high | 78.9 | Confident | 17 Ų | 17 | 50 Ų | 50 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.2 | 172.4 | 59.9 | 0 | 0 | 0 | 0 | 111 | L238 I245 T384 V389 C478 | L238-C248 HydrophobicContact CD2-CB 3.34Å; I245-C248 HydrophobicContact CG2-CB 4.43Å; C248-T384 PolarHBondContact SG-O 3.47Å; C248-T384 VanDerWaalsContact SG-O 3.4Å; C248-V389 HydrophobicContact CB-CG1 4.16Å; C248-V389 HydrophobicContact CB-CG2 4.29Å; C248-C478 PolarHBondContact SG-SG 3.14Å |
| 249 | S | 89.8 | Confident | 75.8 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 143 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | V236 S237 | V236-S249 WeakPolarHBondContact CA-O 3.24Å; S237-S249 PolarHBondContact N-O 3.38Å; S237-S249 PolarHBondContact O-N 2.89Å; S237-S249 PolarHBondContact O-OG 3.03Å |
| 250 | C | 91.9 | Very high | 72.8 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139.6 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | R235 V236 C252 T253 C386 V389 | R235-C250 WeakPolarHBondContact O-CA 3.17Å; V236-C250 HydrophobicContact CG2-CB 4.28Å; C250-C252 PolarHBondContact O-N 2.98Å; C250-C252 PolarHBondContact SG-SG 3.47Å; C250-T253 PolarHBondContact O-N 2.97Å; C250-T253 PolarHBondContact O-OG1 2.71Å; C250-C386 VanDerWaalsContact CB-SG 3.59Å; C250-V389 HydrophobicContact CB-CG2 4.18Å |
| 251 | T | 89 | Confident | 69.8 | Low | 66 Ų | 66 | 66.7 Ų | 66.7 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -2.3 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | H234 R235 | H234-T251 VanDerWaalsContact CA-OG1 3.26Å; H234-T251 WeakPolarHBondContact CA-OG1 3.37Å; R235-T251 HydrophobicContact CB-CG2 3.94Å; R235-T251 PolarHBondContact N-OG1 3.09Å; R235-T251 PolarHBondContact O-N 3.06Å; R235-T251 PolarHBondContact O-OG1 3.38Å |
| 252 | C | 85.5 | Confident | 66.9 | Low | 38 Ų | 38 | 70.3 Ų | 70.3 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18.4 | 169.5 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | C250 C386 H388 | C250-C252 PolarHBondContact O-N 2.98Å; C250-C252 PolarHBondContact SG-SG 3.47Å; C252-C386 PolarHBondContact SG-SG 3.42Å; C252-H388 PolarHBondContact SG-ND1 2.88Å |
| 253 | T | 73 | Confident | 64 | Low | 24 Ų | 24 | 74.2 Ų | 74.2 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -13.2 | 176.3 | 62 | 0 | 0 | 0 | 0 | 112.8 | C250 G255 | C250-T253 PolarHBondContact O-N 2.97Å; C250-T253 PolarHBondContact O-OG1 2.71Å; T253-G255 PolarHBondContact O-N 3.25Å |
| 254 | F | 58.1 | Low | 60.9 | Low | 126 Ų | 126 | 79.9 Ų | 79.9 | 55% | 0.553 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 22.3 | -172.7 | -102.7 | -83.5 | 0 | 0 | 0 | 116.3 | E257 | F254-E257 WeakPolarHBondContact CE1-OE2 3.49Š|
| 255 | G | 48.7 | Very low | 57.8 | Low | 76 Ų | 76 | 82.2 Ų | 82.2 | 78% | 0.784 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 0.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T253 | T253-G255 PolarHBondContact O-N 3.25Š|
| 256 | L | 41.9 | Very low | 54.6 | Low | 65 Ų | 65 | 88.7 Ų | 88.7 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -129.2 | -15.2 | -168.9 | -83.8 | 163.2 | 0 | 0 | 0 | 116.5 | E258 R259 C260 P381 | L256-E258 PolarHBondContact O-N 3.05Å; L256-R259 WeakPolarHBondContact O-CA 3.39Å; L256-R259 WeakPolarHBondContact O-CB 3.37Å; L256-R259 PolarHBondContact O-N 2.94Å; L256-C260 PolarHBondContact O-N 3.49Å; L256-C260 VanDerWaalsContact O-N 3.13Å; L256-P381 HydrophobicContact CD1-CB 3.98Å |
| 257 | E | 36.4 | Very low | 51.5 | Low | 105 Ų | 105 | 90.8 Ų | 90.8 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | -172.2 | -65.4 | -174 | 160.7 | 0 | 0 | 113.7 | F254 R259 C260 T261 | F254-E257 WeakPolarHBondContact CE1-OE2 3.49Å; E257-R259 PolarHBondContact O-N 3.42Å; E257-R259 VanDerWaalsContact O-N 3.14Å; E257-C260 PolarHBondContact O-N 3.26Å; E257-T261 WeakPolarHBondContact O-CG2 3.44Å; E257-T261 PolarHBondContact O-N 3.38Å; E257-T261 PolarHBondContact O-OG1 2.9Å |
| 258 | E | 31.6 | Very low | 48.5 | Very low | 185 Ų | 185 | 95.2 Ų | 95.2 | 86% | 0.864 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -14.4 | 172.6 | -70 | -169.7 | 141.8 | 0 | 0 | 113.6 | L256 | L256-E258 PolarHBondContact O-N 3.05Å |
| 259 | R | 29.4 | Very low | 45.5 | Very low | 194 Ų | 194 | 105 Ų | 105 | 73% | 0.732 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -104.9 | -27.7 | -178.1 | -157.7 | 169 | -167.8 | 159.1 | 4.8 | 113.6 | L256 E257 | L256-R259 WeakPolarHBondContact O-CA 3.39Å; L256-R259 WeakPolarHBondContact O-CB 3.37Å; L256-R259 PolarHBondContact O-N 2.94Å; E257-R259 PolarHBondContact O-N 3.42Å; E257-R259 VanDerWaalsContact O-N 3.14Å |
| 260 | C | 30.1 | Very low | 42.6 | Very low | 92 Ų | 92 | 105.7 Ų | 105.7 | 62% | 0.622 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.2 | -35.1 | 174 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | L256 E257 A262 | L256-C260 PolarHBondContact O-N 3.49Å; L256-C260 VanDerWaalsContact O-N 3.13Å; E257-C260 PolarHBondContact O-N 3.26Å; C260-A262 VanDerWaalsContact C-N 3.29Å; C260-A262 PolarHBondContact O-N 3.41Å |
| 261 | T | 32.1 | Very low | 39.7 | Very low | 100 Ų | 100 | 112.6 Ų | 112.6 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -70 | -22.7 | 177.7 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | E257 V263 | E257-T261 WeakPolarHBondContact O-CG2 3.44Å; E257-T261 PolarHBondContact O-N 3.38Å; E257-T261 PolarHBondContact O-OG1 2.9Å; T261-V263 PolarHBondContact O-N 2.91Å; T261-V263 VanDerWaalsContact O-N 3.1Å |
| 262 | A | 29 | Very low | 36.9 | Very low | 79 Ų | 79 | 116 Ų | 116 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -75.7 | 9.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | C260 | C260-A262 VanDerWaalsContact C-N 3.29Å; C260-A262 PolarHBondContact O-N 3.41Å |
| 263 | V | 30.5 | Very low | 34.3 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -110.6 | -12.9 | -177.9 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | T261 | T261-V263 PolarHBondContact O-N 2.91Å; T261-V263 VanDerWaalsContact O-N 3.1Å |
| 264 | E | 26.6 | Very low | 32.4 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -77.7 | 140.5 | 170.2 | -62.9 | -161.6 | 143.6 | 0 | 0 | 111 | P266 | E264-P266 WeakPolarHBondContact O-CD 3.46Š|
| 265 | S | 24.7 | Very low | 30.9 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -75 | 121.4 | -161.1 | -65.7 | 0 | 0 | 0 | 0 | 113 | S267 | S265-S267 PolarHBondContact O-N 3.48Š| ||
| 266 | P | 25.7 | Very low | 30 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | trans | -71.1 | 105.7 | 173 | 29.1 | -33.1 | 0 | 0 | 0 | 109.6 | E264 | E264-P266 WeakPolarHBondContact O-CD 3.46Š| ||
| 267 | S | 27.1 | Very low | 29.3 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | -109.9 | 140.9 | 169.9 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | S265 | S265-S267 PolarHBondContact O-N 3.48Š| ||
| 268 | N | 26.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 57.3 | 89.7 | 172.1 | -53.7 | -33.3 | 0 | 0 | 0 | 117 | ||||
| 269 | F | 29.1 | Very low | 29 | Very low | 223 Ų | 223 | 132.9 Ų | 132.9 | 98% | 0.978 | 76% | 0.756 | S | S | * | * | -147 | 150.3 | 114.5 | -103.7 | -74.5 | 0 | 0 | 0 | 108.9 | |||||
| 270 | G | 28.9 | Very low | 29 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | -106.5 | -164 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 271 | D | 29.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 79.7 | 100.4 | 155.1 | -71.4 | 14.5 | 0 | 0 | 0 | 120.6 | ||||
| 272 | N | 29.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 102.5 | 139.5 | 131.3 | -65.3 | -43.1 | 0 | 0 | 0 | 122 | ||||
| 273 | I | 31.7 | Very low | 28.7 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 72.9 | 94.2 | 159.6 | -61.7 | 150 | 0 | 0 | 0 | 115.2 | ||||
| 274 | I | 32.3 | Very low | 28.3 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | 99.9 | 113.7 | 61 | -76.7 | 162 | 0 | 0 | 0 | 112.6 | |||||
| 275 | N | 27.2 | Very low | 28.4 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | 59.1 | 156.3 | 158.8 | -59 | -4 | 0 | 0 | 0 | 118 | ||||
| 276 | L | 30.3 | Very low | 28.5 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | cis | -147.5 | 159.2 | 20.2 | -172.2 | 64.2 | 0 | 0 | 0 | 111.9 | ||||
| 277 | D | 26.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 149.8 | -176.5 | -55.2 | -87.4 | 0 | 0 | 0 | 116.5 | ||||
| 278 | S | 32.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -163.5 | 135.3 | 131.1 | 14.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 279 | T | 28.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -110 | 126.1 | -171.8 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 280 | E | 30.8 | Very low | 30.7 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -130.2 | 153.4 | 158.4 | -72.4 | -153.6 | 147.2 | 0 | 0 | 111.5 | ||||
| 281 | N | 25.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 134 Ų | 134 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | trans | -87.5 | 130.8 | -167.1 | -62.5 | -81.2 | 0 | 0 | 0 | 112.3 | ||||
| 282 | V | 30.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | trans | -122.1 | 134.8 | 165.5 | -178.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 283 | S | 27.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 139 | -172.9 | 47.6 | 0 | 0 | 0 | 0 | 115.1 | S285 | S283-S285 PolarHBondContact O-N 3.27Š|
| 284 | N | 24 | Very low | 32.6 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.6 | 168.6 | -69.5 | -33.7 | 0 | 0 | 0 | 111.7 | ||
| 285 | S | 27.1 | Very low | 32.9 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 145.9 | 158.4 | 60.6 | 0 | 0 | 0 | 0 | 110 | S283 K287 | S283-S285 PolarHBondContact O-N 3.27Å; S285-K287 PolarHBondContact O-N 2.91Å |
| 286 | I | 28 | Very low | 33.6 | Very low | 177 Ų | 177 | 117.9 Ų | 117.9 | 91% | 0.908 | 66% | 0.661 | S | S | * | * | trans | -79.8 | 113.4 | -179.1 | -61.9 | 170.5 | 0 | 0 | 0 | 108.2 | ||||
| 287 | K | 28 | Very low | 34 | Very low | 191 Ų | 191 | 115.9 Ų | 115.9 | 83% | 0.83 | 66% | 0.656 | S | S | * | * | trans | -67.2 | 144.7 | 170.6 | -72.4 | -170.4 | 174.9 | -173.4 | 0 | 110.3 | S285 | S285-K287 PolarHBondContact O-N 2.91Š| ||
| 288 | S | 33.1 | Very low | 34 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 78% | 0.776 | 64% | 0.642 | S | S | * | * | trans | -70.9 | 136.2 | -175.1 | 33.4 | 0 | 0 | 0 | 0 | 113.2 | S290 | S288-S290 VanDerWaalsContact C-N 3.32Å; S288-S290 PolarHBondContact O-N 2.7Å | ||
| 289 | N | 42.1 | Very low | 33.8 | Very low | 109 Ų | 109 | 112.3 Ų | 112.3 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | trans | -75.6 | 78.1 | 169.6 | -73.8 | -15.9 | 0 | 0 | 0 | 110.3 | ||||
| 290 | S | 50.7 | Low | 33.7 | Very low | 65 Ų | 65 | 113 Ų | 113 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | trans | -97.2 | 147.9 | 170.8 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | S288 A292 D566 | S288-S290 VanDerWaalsContact C-N 3.32Å; S288-S290 PolarHBondContact O-N 2.7Å; S290-A292 PolarHBondContact O-N 3.46Å; S290-D566 PolarHBondContact OG-OD1 3.1Å | ||
| 291 | F | 46.8 | Very low | 33.4 | Very low | 22 Ų | 22 | 108.8 Ų | 108.8 | 10% | 0.096 | 62% | 0.623 | C | S | . | * | trans | -71 | 114.7 | 175.6 | -172 | -81.6 | 0 | 0 | 0 | 110.6 | Y293 R562 D566 A666 F667 F670 | F291-Y293 PolarHBondContact O-N 3.13Å; F291-R562 HydrophobicContact CB-CG 3.82Å; F291-R562 HydrophobicContact CD1-CG 4.04Å; F291-R562 HydrophobicContact CG-CG 4.14Å; F291-D566 PolarHBondContact N-OD1 3.29Å; F291-A666 HydrophobicContact CE2-CB 4.27Å; F291-A666 HydrophobicContact CZ-CB 4.15Å; F291-F667 AromaticContact CE1-CE1 3.99Å; F291-F667 HydrophobicContact CE1-CE1 3.99Å; F291-F667 AromaticContact CE2-CD1 3.95Å; F291-F667 HydrophobicContact CE2-CD1 3.95Å; F291-F667 HydrophobicContact CE2-CE1 4.14Å; F291-F667 AromaticContact CZ-CD1 3.89Å; F291-F667 HydrophobicContact CZ-CD1 3.89Å; F291-F667 AromaticContact CZ-CE1 3.66Å; F291-F667 HydrophobicContact CZ-CE1 3.66Å; F291-F670 HydrophobicContact CB-CE2 4.4Å; F291-F670 HydrophobicContact CB-CZ 4.26Å; F291-F670 HydrophobicContact CD2-CB 4.37Å; F291-F670 HydrophobicContact CD2-CD1 4.39Å; F291-F670 AromaticContact CD2-CD2 3.84Å; F291-F670 HydrophobicContact CD2-CD2 3.84Å; F291-F670 HydrophobicContact CD2-CE2 4.16Å; F291-F670 AromaticContact CD2-CG 3.96Å; F291-F670 HydrophobicContact CD2-CG 3.96Å; F291-F670 HydrophobicContact CE2-CB 4.45Å | ||
| 292 | A | 36.8 | Very low | 33.4 | Very low | 65 Ų | 65 | 108.5 Ų | 108.5 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | trans | -68.2 | 129 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | S290 W307 | S290-A292 PolarHBondContact O-N 3.46Å; A292-W307 HydrophobicContact CB-CZ3 4.37Å | ||
| 293 | Y | 38.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 104.7 Ų | 104.7 | 47% | 0.467 | 60% | 0.601 | S | S | . | * | trans | -97.6 | 150.5 | -173.8 | -179 | -115 | 0 | 0 | 0 | 112.7 | F291 P295 | F291-Y293 PolarHBondContact O-N 3.13Å; Y293-P295 HydrophobicContact CE1-CB 4.3Å; Y293-P295 HydrophobicContact CE1-CG 3.86Å | ||
| 294 | Q | 37 | Very low | 33.1 | Very low | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | trans | -138.2 | 134.3 | 159.8 | -80.4 | -178.8 | -44.7 | 0 | 0 | 107.3 | R663 | Q294-R663 PolarHBondContact O-NH2 3.06Š| ||
| 295 | P | 39.9 | Very low | 33.3 | Very low | 60 Ų | 60 | 101.3 Ų | 101.3 | 39% | 0.39 | 60% | 0.599 | S | S | . | * | trans | -60.5 | 137.6 | 175.5 | -21.4 | 31.9 | 0 | 0 | 0 | 112.1 | Y293 T297 A298 | Y293-P295 HydrophobicContact CE1-CB 4.3Å; Y293-P295 HydrophobicContact CE1-CG 3.86Å; P295-T297 VanDerWaalsContact CB-OG1 3.29Å; P295-T297 WeakPolarHBondContact CB-OG1 3.29Å; P295-T297 PolarHBondContact O-N 3.35Å; P295-A298 WeakPolarHBondContact O-CB 3.41Å; P295-A298 PolarHBondContact O-N 2.76Å | ||
| 296 | M | 41.9 | Very low | 33.2 | Very low | 21 Ų | 21 | 102.6 Ų | 102.6 | 10% | 0.103 | 60% | 0.597 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -27.4 | 170.9 | -77 | -154 | -179.6 | 0 | 0 | 112.5 | A298 L656 K659 I660 R663 | M296-A298 PolarHBondContact O-N 2.97Å; M296-L656 HydrophobicContact SD-CD1 4.05Å; M296-K659 PolarHBondContact O-NZ 2.91Å; M296-I660 HydrophobicContact CE-CG1 4Å; M296-R663 HydrophobicContact CE-CB 4.49Å; M296-R663 HydrophobicContact CE-CG 3.86Å |
| 297 | T | 39.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 99.3 Ų | 99.3 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -7.4 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 114.6 | P295 T299 | P295-T297 VanDerWaalsContact CB-OG1 3.29Å; P295-T297 WeakPolarHBondContact CB-OG1 3.29Å; P295-T297 PolarHBondContact O-N 3.35Å; T297-T299 PolarHBondContact O-N 3.29Å; T297-T299 VanDerWaalsContact O-N 3.09Å |
| 298 | A | 26.6 | Very low | 33 | Very low | 53 Ų | 53 | 98.1 Ų | 98.1 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | trans | -65 | 110.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P295 M296 E300 | P295-A298 WeakPolarHBondContact O-CB 3.41Å; P295-A298 PolarHBondContact O-N 2.76Å; M296-A298 PolarHBondContact O-N 2.97Å; A298-E300 VanDerWaalsContact C-N 3.31Å; A298-E300 PolarHBondContact O-N 2.75Å | ||
| 299 | T | 28.7 | Very low | 32.6 | Very low | 133 Ų | 133 | 99.7 Ų | 99.7 | 82% | 0.816 | 56% | 0.564 | S | S | * | * | trans | -91.1 | 50.1 | -179.8 | 41.2 | 0 | 0 | 0 | 0 | 112.4 | T297 P301 | T297-T299 PolarHBondContact O-N 3.29Å; T297-T299 VanDerWaalsContact O-N 3.09Å; T299-P301 WeakPolarHBondContact O-CD 3.41Å | ||
| 300 | E | 24.1 | Very low | 31.7 | Very low | 146 Ų | 146 | 98.6 Ų | 98.6 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | trans | -96.9 | 97 | 163.6 | -78.6 | -148.9 | 164.6 | 0 | 0 | 111.5 | A298 S303 | A298-E300 VanDerWaalsContact C-N 3.31Å; A298-E300 PolarHBondContact O-N 2.75Å; E300-S303 WeakPolarHBondContact OE2-CB 3.41Å; E300-S303 PolarHBondContact OE2-OG 3.42Å | ||
| 301 | P | 25.4 | Very low | 30.6 | Very low | 102 Ų | 102 | 99 Ų | 99 | 66% | 0.662 | 59% | 0.586 | S | S | * | * | trans | -73 | 140.1 | 152.1 | 31.7 | -31.1 | 0 | 0 | 0 | 109.6 | T299 | T299-P301 WeakPolarHBondContact O-CD 3.41Š| ||
| 302 | N | 25.7 | Very low | 29.5 | Very low | 164 Ų | 164 | 109.8 Ų | 109.8 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 88.9 | 20.2 | 169.3 | -44 | -51.3 | 0 | 0 | 0 | 119.7 | ||
| 303 | S | 25.2 | Very low | 29.1 | Very low | 59 Ų | 59 | 114.1 Ų | 114.1 | 41% | 0.413 | 64% | 0.64 | S | S | . | * | trans | -110.2 | 83.1 | 165.5 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | E300 T305 | E300-S303 WeakPolarHBondContact OE2-CB 3.41Å; E300-S303 PolarHBondContact OE2-OG 3.42Å; S303-T305 PolarHBondContact O-N 3.37Å; S303-T305 PolarHBondContact O-OG1 2.87Å | ||
| 304 | G | 25.7 | Very low | 28.3 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 90% | 0.897 | 66% | 0.659 | S | S | * | * | trans | -70.1 | 51.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L306 | G304-L306 PolarHBondContact O-N 2.73Š| ||
| 305 | T | 29 | Very low | 27.8 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | trans | -89.9 | 93.9 | -167.8 | -39.8 | 0 | 0 | 0 | 0 | 111.1 | S303 | S303-T305 PolarHBondContact O-N 3.37Å; S303-T305 PolarHBondContact O-OG1 2.87Å | ||
| 306 | L | 24.7 | Very low | 27.1 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | trans | -31.4 | 129.4 | 175 | -176.3 | 74.9 | 0 | 0 | 0 | 114.6 | G304 Q308 | G304-L306 PolarHBondContact O-N 2.73Å; L306-Q308 HydrophobicContact CD2-CB 4.37Å; L306-Q308 PolarHBondContact O-N 2.85Å | ||
| 307 | W | 27 | Very low | 26.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 41% | 0.409 | 73% | 0.725 | S | S | . | * | trans | -67.6 | 77.7 | 166.6 | -77.8 | 87.4 | 0 | 0 | 0 | 110.7 | A292 F309 H662 | A292-W307 HydrophobicContact CB-CZ3 4.37Å; W307-F309 PolarHBondContact O-N 3.1Å; W307-H662 AromaticContact CD1-CE1 3.8Å; W307-H662 AromaticContact NE1-CE1 3.73Å | ||
| 308 | Q | 23.7 | Very low | 25.9 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | trans | -74.3 | 90.2 | -175 | -166.3 | 171.7 | 89.5 | 0 | 0 | 110.4 | L306 G310 | L306-Q308 HydrophobicContact CD2-CB 4.37Å; L306-Q308 PolarHBondContact O-N 2.85Å; Q308-G310 PolarHBondContact O-N 3.45Å | ||
| 309 | F | 26.7 | Very low | 25.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -53.2 | 106.1 | 176.8 | -81.3 | -83.3 | 0 | 0 | 0 | 111.2 | W307 A311 | W307-F309 PolarHBondContact O-N 3.1Å; F309-A311 PolarHBondContact O-N 2.88Å | ||
| 310 | G | 23 | Very low | 25.8 | Very low | 86 Ų | 86 | 136 Ų | 136 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -71 | 60 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q308 | Q308-G310 PolarHBondContact O-N 3.45Š| ||
| 311 | A | 27 | Very low | 26 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | trans | -113.1 | 61.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F309 N313 | F309-A311 PolarHBondContact O-N 2.88Å; A311-N313 PolarHBondContact O-N 2.88Å | ||
| 312 | R | 23.4 | Very low | 26.1 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | trans | -70.3 | 73.8 | 174.3 | -84.3 | -172.2 | 170.5 | 177.9 | -1.4 | 112.1 | ||||
| 313 | N | 27.5 | Very low | 26.3 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -79.1 | 165.6 | 156.2 | -95.8 | -32.9 | 0 | 0 | 0 | 110.7 | A311 | A311-N313 PolarHBondContact O-N 2.88Š| ||
| 314 | R | 23.8 | Very low | 26.3 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -87.1 | 172.3 | -158.2 | -66.8 | 179 | 171.2 | -173 | -3.3 | 114.8 | ||||
| 315 | S | 25.3 | Very low | 26.5 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 82.8 | 149.3 | 172.5 | 85.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 316 | I | 26.1 | Very low | 26.3 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -129.5 | 146.7 | 8.5 | -81.4 | -177.7 | 0 | 0 | 0 | 111.2 | ||||
| 317 | F | 25 | Very low | 26.4 | Very low | 191 Ų | 191 | 151 Ų | 151 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | 7 | 131.6 | 159.2 | -67.3 | -117.4 | 0 | 0 | 0 | 120.8 | ||||
| 318 | T | 29.2 | Very low | 26.2 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | -166.5 | 155.9 | 105.9 | 17.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 319 | N | 25.8 | Very low | 26.4 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -5 | 143.7 | 168 | -56.4 | -20.1 | 0 | 0 | 0 | 119.2 | ||||
| 320 | S | 28.2 | Very low | 26.4 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | cis | -162.4 | 151.9 | 32.6 | 52.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 321 | H | 27.6 | Very low | 26.6 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | 43.3 | 105.5 | 143.6 | -70 | -65.8 | 0 | 0 | 0 | 118.9 | ||||
| 322 | I | 29.5 | Very low | 26.5 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | -174.8 | 143.3 | 78.9 | -96.2 | 147.8 | 0 | 0 | 0 | 111.7 | |||||
| 323 | N | 28.5 | Very low | 26.5 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 19.2 | 149.3 | 155.7 | -53.8 | -17 | 0 | 0 | 0 | 123 | ||||
| 324 | S | 25.5 | Very low | 26.5 | Very low | 90 Ų | 90 | 151.6 Ų | 151.6 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 177 | 162.8 | -23.1 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 325 | R | 29 | Very low | 26.5 | Very low | 226 Ų | 226 | 149.4 Ų | 149.4 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 73.3 | 114.1 | 175.5 | -49.9 | 176.3 | -177.3 | -157.8 | -2.7 | 113.4 | ||||
| 326 | Q | 24.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | 64.8 | 113.9 | 49.4 | -61.5 | -173.8 | -40 | 0 | 0 | 115.4 | ||||
| 327 | M | 26.9 | Very low | 26.7 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | -163.3 | 167.9 | 113 | -102.9 | -62.5 | 112.7 | 0 | 0 | 110.7 | |||||
| 328 | S | 23.2 | Very low | 26.9 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -146.9 | 146.7 | -166.7 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 329 | G | 28.8 | Very low | 26.6 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 177.8 | 118.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 330 | Q | 25.6 | Very low | 26.6 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | 85 | 146.3 | 66.8 | -83.9 | -152 | 3.2 | 0 | 0 | 114.7 | |||||
| 331 | L | 27.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | 83.9 | 144.9 | 178.7 | -52.9 | 167.2 | 0 | 0 | 0 | 116.3 | ||||
| 332 | N | 24.8 | Very low | 26.3 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | cis | 166.5 | 132 | -41.6 | -114 | -3.8 | 0 | 0 | 0 | 106.7 | ||||
| 333 | N | 24.7 | Very low | 26.2 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 65% | 0.652 | 79% | 0.792 | S | S | * | * | trans | 63.7 | 147.6 | 161.9 | -44.5 | -30.3 | 0 | 0 | 0 | 116 | ||||
| 334 | Y | 26.8 | Very low | 26.1 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | cis | -150.4 | 154.3 | 30.4 | -96.5 | -87.7 | 0 | 0 | 0 | 112.8 | ||||
| 335 | F | 24.2 | Very low | 26.2 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | trans | -98 | 160.3 | 155.4 | -91 | -86.1 | 0 | 0 | 0 | 110 | ||||
| 336 | P | 30.4 | Very low | 26 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -146.7 | 161.2 | 111.3 | 37.4 | -22.3 | 0 | 0 | 0 | 116.6 | |||||
| 337 | N | 24 | Very low | 26.2 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -93.3 | 156.8 | 169.9 | -81.2 | -26.6 | 0 | 0 | 0 | 112.4 | ||||
| 338 | S | 29.4 | Very low | 26.1 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -157 | 129.1 | 156 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 339 | N | 24.4 | Very low | 26.3 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -96.5 | 146.4 | 171.5 | -66.5 | -22.3 | 0 | 0 | 0 | 111.7 | ||||
| 340 | C | 25.7 | Very low | 26.2 | Very low | 126 Ų | 126 | 150 Ų | 150 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -156.9 | 156.3 | 157.6 | 40.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 341 | L | 23.2 | Very low | 26.6 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -115.5 | 151.2 | -169.3 | -76.2 | 78.8 | 0 | 0 | 0 | 113.9 | ||||
| 342 | S | 25 | Very low | 26.6 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 58.2 | 134.7 | 139 | 69.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 343 | K | 28.4 | Very low | 26.7 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | -165.2 | 153.6 | 121 | -107.4 | 166 | -174.9 | 177.4 | 0 | 112.7 | |||||
| 344 | N | 24.7 | Very low | 27 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -89.2 | 161.1 | -178.2 | -49.4 | -1.4 | 0 | 0 | 0 | 111.7 | ||||
| 345 | S | 28.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | -156.9 | 166.6 | 129 | -142.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 346 | Y | 24.4 | Very low | 27.1 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -109.5 | 153.6 | -167.4 | -73.2 | -106.6 | 0 | 0 | 0 | 113.9 | ||||
| 347 | N | 28.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | 168.4 | 119.6 | 119.5 | -82.3 | -11.9 | 0 | 0 | 0 | 109.1 | |||||
| 348 | Q | 25.9 | Very low | 27 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 67.6 | 93.5 | 78.5 | -73.7 | -165.4 | 2 | 0 | 0 | 115.4 | |||||
| 349 | T | 27.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 95% | 0.945 | 78% | 0.783 | S | S | * | * | -161.3 | 170.8 | 128.2 | 31.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 350 | S | 25.6 | Very low | 27.1 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -162.5 | 167.9 | -163.6 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 351 | P | 35.3 | Very low | 27.2 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | cis | -128.4 | -162.3 | -46.5 | 35.2 | -17.6 | 0 | 0 | 0 | 112.1 | ||||
| 352 | N | 26.6 | Very low | 27.4 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 102.3 | 152.8 | 156 | -60.6 | -31.4 | 0 | 0 | 0 | 119.9 | ||||
| 353 | S | 27.2 | Very low | 27.7 | Very low | 97 Ų | 97 | 153.1 Ų | 153.1 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | 87.1 | 108.8 | 165.3 | -129.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 354 | R | 30.2 | Very low | 27.8 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | 73.2 | 98 | 141.4 | -62.5 | 168.3 | -166.9 | -119.7 | -1.9 | 120.7 | ||||
| 355 | R | 26.3 | Very low | 27.8 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | 29.4 | 135.4 | 129.1 | -62.3 | -175.6 | 178.1 | -168.3 | -1 | 120.5 | |||||
| 356 | S | 26.5 | Very low | 27.8 | Very low | 82 Ų | 82 | 151.9 Ų | 151.9 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | trans | 106.1 | 125 | 140.8 | -138.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 357 | W | 26 | Very low | 28 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 150.4 | 171.6 | -64.9 | 94.4 | 0 | 0 | 0 | 120.2 | F153 | F153-W357 HydrophobicContact CD2-CZ2 4.1Å; F153-W357 AromaticContact CE2-CD2 3.7Å; F153-W357 HydrophobicContact CE2-CD2 3.7Å; F153-W357 AromaticContact CE2-CE2 3.37Å; F153-W357 HydrophobicContact CE2-CE3 4.02Å; F153-W357 HydrophobicContact CE2-CG 4.35Å; F153-W357 AromaticContact CE2-CH2 3.83Å; F153-W357 HydrophobicContact CE2-CH2 3.83Å; F153-W357 AromaticContact CE2-CZ2 3.47Å; F153-W357 HydrophobicContact CE2-CZ2 3.47Å; F153-W357 VanDerWaalsContact CE2-CZ2 3.47Å; F153-W357 HydrophobicContact CE2-CZ3 4.07Å; F153-W357 AromaticContact CE2-NE1 3.77Å; F153-W357 AromaticContact CZ-CD1 3.99Å; F153-W357 AromaticContact CZ-CD2 3.75Å; F153-W357 HydrophobicContact CZ-CD2 3.75Å; F153-W357 AromaticContact CZ-CE2 3.79Å; F153-W357 HydrophobicContact CZ-CE3 4.23Å; F153-W357 AromaticContact CZ-CG 3.96Å; F153-W357 HydrophobicContact CZ-CG 3.96Å; F153-W357 HydrophobicContact CZ-CZ2 4.34Å; F153-W357 AromaticContact CZ-NE1 3.89Å | ||
| 358 | L | 26.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 152 Ų | 152 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 80.2 | 70.9 | 171.2 | -55.4 | 178.5 | 0 | 0 | 0 | 119.9 | ||||
| 359 | F | 26.7 | Very low | 28.1 | Very low | 188 Ų | 188 | 151 Ų | 151 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -158.2 | 128.1 | 145.5 | -129.8 | -105.4 | 0 | 0 | 0 | 107 | ||||
| 360 | N | 29.7 | Very low | 28.1 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 58% | 0.578 | 76% | 0.764 | S | S | * | * | cis | -124.8 | 125.4 | 15.3 | -65 | -107.2 | 0 | 0 | 0 | 111.9 | ||||
| 361 | Q | 27.6 | Very low | 28.1 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -101.3 | 172.7 | 133.3 | -74.4 | -174.2 | -10.5 | 0 | 0 | 107.6 | ||||
| 362 | H | 27.6 | Very low | 27.7 | Very low | 170 Ų | 170 | 159.2 Ų | 159.2 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | 78.8 | 37.5 | 178.5 | -64.5 | -78.8 | 0 | 0 | 0 | 119 | ||||
| 363 | I | 30.7 | Very low | 27.8 | Very low | 134 Ų | 134 | 159.8 Ų | 159.8 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -137.6 | 115.9 | 156.3 | -64.2 | -176.6 | 0 | 0 | 0 | 106.9 | ||
| 364 | V | 30 | Very low | 27.7 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | cis | -125.1 | 146.6 | -4.3 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 365 | N | 25.9 | Very low | 27.5 | Very low | 138 Ų | 138 | 157.9 Ų | 157.9 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -102.8 | 88.4 | 175.6 | -171.9 | 5.5 | 0 | 0 | 0 | 111.9 | ||||
| 366 | Q | 27.5 | Very low | 27.4 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -168.1 | 91.5 | 165.9 | -121.7 | 167.1 | 77.8 | 0 | 0 | 112.7 | ||||
| 367 | N | 29 | Very low | 27.4 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -177.8 | 81.3 | 147.7 | -96 | -21.2 | 0 | 0 | 0 | 109.3 | ||||
| 368 | N | 26.6 | Very low | 27.3 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -71 | 133.8 | 169.7 | -83.5 | -30 | 0 | 0 | 0 | 110.2 | ||||
| 369 | I | 30.8 | Very low | 27.8 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | 174.1 | 131.3 | 124.1 | -90 | 154.9 | 0 | 0 | 0 | 109.9 | |||||
| 370 | R | 27.9 | Very low | 28.4 | Very low | 223 Ų | 223 | 150 Ų | 150 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | 64.2 | 86.3 | 168 | -73.7 | 166.3 | -179 | 169.3 | -1.8 | 118.1 | ||||
| 371 | N | 25.1 | Very low | 29.3 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | 29.2 | 115.1 | 116.2 | -49.7 | 12.3 | 0 | 0 | 0 | 118.1 | |||||
| 372 | D | 27.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | -150.5 | 157.2 | 117.1 | -106.7 | -32.7 | 0 | 0 | 0 | 109.6 | |||||
| 373 | L | 28.1 | Very low | 32.6 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | trans | -85.7 | 126.9 | -171.6 | -65.9 | 97.8 | 0 | 0 | 0 | 112.5 | ||||
| 374 | M | 25.7 | Very low | 35.1 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -110.5 | 131.4 | 166.5 | -83.7 | -81.8 | 101.2 | 0 | 0 | 110.3 | ||||
| 375 | P | 24.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | trans | -79.1 | 142.6 | -174.5 | 31.6 | -34.9 | 0 | 0 | 0 | 112.4 | N377 | P375-N377 VanDerWaalsContact C-N 3.3Å; P375-N377 PolarHBondContact O-N 3.23Å | ||
| 376 | T | 25.3 | Very low | 41 | Very low | 140 Ų | 140 | 118.1 Ų | 118.1 | 86% | 0.859 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -76.8 | 76.2 | 173.2 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 377 | N | 25 | Very low | 44.1 | Very low | 151 Ų | 151 | 110.1 Ų | 110.1 | 81% | 0.807 | 60% | 0.599 | S | S | * | * | trans | -153.7 | 68.5 | 166.1 | -99.8 | -18.7 | 0 | 0 | 0 | 109.4 | P375 Q379 | P375-N377 VanDerWaalsContact C-N 3.3Å; P375-N377 PolarHBondContact O-N 3.23Å; N377-Q379 PolarHBondContact O-N 3.24Å; N377-Q379 VanDerWaalsContact O-N 3.08Å | ||
| 378 | G | 25.3 | Very low | 47.2 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | trans | -79.7 | 82 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 379 | Q | 36.9 | Very low | 50.4 | Low | 190 Ų | 190 | 95.4 Ų | 95.4 | 89% | 0.888 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 123.9 | 162.9 | -70.9 | -176.9 | -50.4 | 0 | 0 | 109.1 | N377 | N377-Q379 PolarHBondContact O-N 3.24Å; N377-Q379 VanDerWaalsContact O-N 3.08Å |
| 380 | N | 39.9 | Very low | 53.4 | Low | 126 Ų | 126 | 88.4 Ų | 88.4 | 67% | 0.674 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 150.2 | 172.4 | -70 | -36.1 | 0 | 0 | 0 | 110.1 | T382 | N380-T382 PolarHBondContact O-N 3.39Š|
| 381 | P | 48.6 | Very low | 56.6 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 47% | 0.474 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 124.5 | 172.5 | 26.3 | -34 | 0 | 0 | 0 | 109.9 | L256 V483 | L256-P381 HydrophobicContact CD1-CB 3.98Å; P381-V483 HydrophobicContact CB-CG2 4.41Å; P381-V483 HydrophobicContact CG-CG2 4.4Å |
| 382 | T | 57.3 | Low | 60 | Low | 56 Ų | 56 | 70.6 Ų | 70.6 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 122.1 | 175.2 | 37.7 | 0 | 0 | 0 | 0 | 109.4 | N380 | N380-T382 PolarHBondContact O-N 3.39Š|
| 383 | G | 67.2 | Low | 63.2 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 166.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | W385 | G383-W385 PolarHBondContact O-N 3.41Š|
| 384 | T | 82.6 | Confident | 66.4 | Low | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -57.6 | -31.4 | -179 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | C248 C386 D480 | C248-T384 PolarHBondContact SG-O 3.47Å; C248-T384 VanDerWaalsContact SG-O 3.4Å; T384-C386 PolarHBondContact O-N 2.91Å; T384-D480 HydrophobicContact CG2-CB 3.99Å |
| 385 | W | 89.1 | Confident | 69.7 | Low | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -93.2 | 75.7 | 176.2 | -68.8 | 79.1 | 0 | 0 | 0 | 113.2 | I103 Y106 I245 G383 V389 W477 C478 | I103-W385 HydrophobicContact CD1-CH2 3.98Å; I103-W385 HydrophobicContact CD1-CZ3 3.87Å; I103-W385 HydrophobicContact CG2-CZ3 4.21Å; Y106-W385 HydrophobicContact CG-CZ2 4.19Å; I245-W385 HydrophobicContact CB-CH2 4.25Å; I245-W385 HydrophobicContact CB-CZ2 4.36Å; I245-W385 HydrophobicContact CD1-CH2 3.89Å; I245-W385 HydrophobicContact CD1-CZ3 4.32Å; I245-W385 HydrophobicContact CG1-CH2 4.47Å; G383-W385 PolarHBondContact O-N 3.41Å; W385-V389 HydrophobicContact CD2-CG1 4.39Å; W385-V389 HydrophobicContact CE3-CG1 3.93Å; W385-V389 HydrophobicContact CZ3-CG1 4.43Å; W385-W477 HydrophobicContact CH2-CE3 4.02Å; W385-W477 AromaticContact CH2-CZ3 3.91Å; W385-W477 HydrophobicContact CH2-CZ3 3.91Å; W385-W477 HydrophobicContact CZ2-CE3 4.03Å; W385-W477 HydrophobicContact CZ2-CZ3 4.39Å; W385-C478 PolarHBondContact NE1-O 2.93Å |
| 386 | C | 91.2 | Very high | 73 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | trans | -79 | 165.3 | 170.6 | 69 | 0 | 0 | 0 | 0 | 113 | E116 C250 C252 T384 H388 V389 V390 | E116-C386 WeakPolarHBondContact OE2-CA 3.44Å; C250-C386 VanDerWaalsContact CB-SG 3.59Å; C252-C386 PolarHBondContact SG-SG 3.42Å; T384-C386 PolarHBondContact O-N 2.91Å; C386-H388 PolarHBondContact O-N 2.92Å; C386-H388 VanDerWaalsContact O-N 3.16Å; C386-V389 WeakPolarHBondContact O-CA 3.16Å; C386-V389 WeakPolarHBondContact O-CB 3.02Å; C386-V389 PolarHBondContact O-N 3.2Å; C386-V390 PolarHBondContact O-N 3.41Å | ||
| 387 | S | 92.5 | Very high | 76.3 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.9 | -29.2 | 175.5 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | E116 Q119 G120 V390 A391 | E116-S387 VanDerWaalsContact O-CA 3.31Å; E116-S387 WeakPolarHBondContact O-CA 3.3Å; E116-S387 VanDerWaalsContact O-CB 3.27Å; E116-S387 WeakPolarHBondContact O-CB 3.37Å; E116-S387 PolarHBondContact OE2-N 2.96Å; Q119-S387 VanDerWaalsContact OE1-CB 3.28Å; Q119-S387 PolarHBondContact OE1-OG 3.44Å; G120-S387 VanDerWaalsContact CA-O 3.31Å; G120-S387 WeakPolarHBondContact CA-O 3.33Å; S387-V390 PolarHBondContact O-N 3.48Å; S387-A391 VanDerWaalsContact O-CB 3.29Å; S387-A391 WeakPolarHBondContact O-CB 3.35Å; S387-A391 PolarHBondContact O-N 3.41Å |
| 388 | H | 93.9 | Very high | 79.6 | Confident | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.6 | -38.2 | 172.6 | -49 | 116.1 | 0 | 0 | 0 | 112.7 | V143 T145 H234 V236 C252 C386 T392 | V143-H388 HydrophobicContact CB-CB 4.21Å; V143-H388 HydrophobicContact CG1-CB 4.49Å; V143-H388 HydrophobicContact CG2-CB 4.14Å; T145-H388 PolarHBondContact OG1-NE2 3.3Å; H234-H388 AromaticContact CD2-CE1 3.38Å; H234-H388 PolarHBondContact CD2-CE1 3.31Å; H234-H388 AromaticContact CD2-NE2 3.31Å; H234-H388 PolarHBondContact CD2-NE2 3.46Å; H234-H388 VanDerWaalsContact CD2-NE2 3.31Å; H234-H388 AromaticContact CG-CE1 3.64Å; H234-H388 AromaticContact CG-ND1 3.93Å; H234-H388 AromaticContact CG-NE2 3.87Å; H234-H388 AromaticContact NE2-CE1 3.79Å; H234-H388 AromaticContact NE2-NE2 3.97Å; V236-H388 HydrophobicContact CG2-CB 3.78Å; C252-H388 PolarHBondContact SG-ND1 2.88Å; C386-H388 PolarHBondContact O-N 2.92Å; C386-H388 VanDerWaalsContact O-N 3.16Å; H388-T392 WeakPolarHBondContact O-CB 3.38Å; H388-T392 PolarHBondContact O-N 3.36Å; H388-T392 VanDerWaalsContact O-N 3.15Å; H388-T392 PolarHBondContact O-OG1 3.11Å |
| 389 | V | 94.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -49.3 | 172.8 | 161.9 | 0 | 0 | 0 | 0 | 109.5 | V236 L238 C248 C250 W385 C386 A391 T392 C393 | V236-V389 HydrophobicContact CG1-CG2 4.03Å; L238-V389 HydrophobicContact CD2-CG1 3.83Å; L238-V389 HydrophobicContact CD2-CG2 4.19Å; C248-V389 HydrophobicContact CB-CG1 4.16Å; C248-V389 HydrophobicContact CB-CG2 4.29Å; C250-V389 HydrophobicContact CB-CG2 4.18Å; W385-V389 HydrophobicContact CD2-CG1 4.39Å; W385-V389 HydrophobicContact CE3-CG1 3.93Å; W385-V389 HydrophobicContact CZ3-CG1 4.43Å; C386-V389 WeakPolarHBondContact O-CA 3.16Å; C386-V389 WeakPolarHBondContact O-CB 3.02Å; C386-V389 PolarHBondContact O-N 3.2Å; V389-A391 PolarHBondContact O-N 3.21Å; V389-T392 WeakPolarHBondContact O-CB 3.38Å; V389-T392 PolarHBondContact O-N 3.44Å; V389-C393 PolarHBondContact O-N 3.21Å; V389-C393 PolarHBondContact O-SG 2.85Å |
| 390 | V | 94.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 178.4 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | I103 F117 C386 S387 T392 C393 L394 | I103-V390 HydrophobicContact CG2-CG1 3.99Å; I103-V390 HydrophobicContact CG2-CG2 4.47Å; F117-V390 HydrophobicContact CD2-CG1 3.67Å; F117-V390 HydrophobicContact CE2-CG1 4.1Å; F117-V390 HydrophobicContact CG-CG1 4.24Å; C386-V390 PolarHBondContact O-N 3.41Å; S387-V390 PolarHBondContact O-N 3.48Å; V390-T392 PolarHBondContact O-N 3.14Å; V390-C393 WeakPolarHBondContact O-CB 3.44Å; V390-C393 PolarHBondContact O-N 3.34Å; V390-C393 VanDerWaalsContact O-N 3.08Å; V390-L394 HydrophobicContact CG1-CD1 3.84Å; V390-L394 HydrophobicContact CG1-CG 4.05Å; V390-L394 WeakPolarHBondContact O-CG 3.47Å; V390-L394 PolarHBondContact O-N 2.71Å |
| 391 | A | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.7 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G120 L123 W124 V129 S387 V389 M395 | G120-A391 WeakPolarHBondContact O-CB 3.35Å; L123-A391 HydrophobicContact CB-CB 3.84Å; W124-A391 HydrophobicContact CB-CB 4.5Å; V129-A391 HydrophobicContact CG2-CB 3.71Å; S387-A391 VanDerWaalsContact O-CB 3.29Å; S387-A391 WeakPolarHBondContact O-CB 3.35Å; S387-A391 PolarHBondContact O-N 3.41Å; V389-A391 PolarHBondContact O-N 3.21Å; A391-M395 WeakPolarHBondContact O-CB 3.18Å; A391-M395 PolarHBondContact O-N 2.91Å |
| 392 | T | 95.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | L139 A141 V236 L238 H388 V389 V390 M395 R396 | L139-T392 HydrophobicContact CD2-CG2 4.26Å; L139-T392 HydrophobicContact CG-CG2 4.44Å; A141-T392 HydrophobicContact CB-CG2 3.67Å; V236-T392 HydrophobicContact CG1-CG2 4.09Å; L238-T392 HydrophobicContact CD1-CG2 3.85Å; H388-T392 WeakPolarHBondContact O-CB 3.38Å; H388-T392 PolarHBondContact O-N 3.36Å; H388-T392 VanDerWaalsContact O-N 3.15Å; H388-T392 PolarHBondContact O-OG1 3.11Å; V389-T392 WeakPolarHBondContact O-CB 3.38Å; V389-T392 PolarHBondContact O-N 3.44Å; V390-T392 PolarHBondContact O-N 3.14Å; T392-M395 PolarHBondContact O-N 3.07Å; T392-R396 PolarHBondContact O-N 3.05Å |
| 393 | C | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | F96 I103 I245 V389 V390 M395 R396 I397 | F96-C393 HydrophobicContact CZ-CB 4.48Å; I103-C393 HydrophobicContact CD1-CB 3.97Å; I103-C393 HydrophobicContact CG1-CB 4.31Å; I103-C393 HydrophobicContact CG2-CB 4.12Å; I245-C393 WeakPolarHBondContact CD1-SG 3.4Å; V389-C393 PolarHBondContact O-N 3.21Å; V389-C393 PolarHBondContact O-SG 2.85Å; V390-C393 WeakPolarHBondContact O-CB 3.44Å; V390-C393 PolarHBondContact O-N 3.34Å; V390-C393 VanDerWaalsContact O-N 3.08Å; C393-M395 VanDerWaalsContact C-N 3.27Å; C393-M395 PolarHBondContact O-N 2.66Å; C393-R396 PolarHBondContact O-N 2.82Å; C393-I397 WeakPolarHBondContact O-CG1 3.31Å; C393-I397 PolarHBondContact O-N 2.97Å |
| 394 | L | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -33.1 | 177.3 | -66.5 | 178.9 | 0 | 0 | 0 | 112.3 | E100 F117 E121 W124 V390 R398 | E100-L394 HydrophobicContact CB-CD2 4.47Å; E100-L394 HydrophobicContact CG-CD2 4.02Å; F117-L394 HydrophobicContact CE2-CD2 4.22Å; F117-L394 HydrophobicContact CZ-CD1 4.33Å; F117-L394 HydrophobicContact CZ-CD2 4.15Å; E121-L394 HydrophobicContact CB-CD1 4.08Å; W124-L394 HydrophobicContact CB-CB 4.33Å; W124-L394 HydrophobicContact CG-CB 4.05Å; W124-L394 PolarHBondContact NE1-O 3.46Å; V390-L394 HydrophobicContact CG1-CD1 3.84Å; V390-L394 HydrophobicContact CG1-CG 4.05Å; V390-L394 WeakPolarHBondContact O-CG 3.47Å; V390-L394 PolarHBondContact O-N 2.71Å; L394-R398 WeakPolarHBondContact O-CB 3.48Å; L394-R398 VanDerWaalsContact O-CG 3.31Å; L394-R398 WeakPolarHBondContact O-CG 3.46Å; L394-R398 PolarHBondContact O-N 3.29Å |
| 395 | M | 94 | Very high | 91.1 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 170.8 | 179.8 | 63.2 | 75 | 0 | 0 | 111.5 | V129 C132 A391 T392 C393 Q399 | V129-M395 HydrophobicContact CB-CE 3.91Å; V129-M395 HydrophobicContact CG1-CB 4.23Å; V129-M395 HydrophobicContact CG1-CE 4.4Å; V129-M395 HydrophobicContact CG1-CG 4.26Å; C132-M395 HydrophobicContact CB-CG 4.43Å; A391-M395 WeakPolarHBondContact O-CB 3.18Å; A391-M395 PolarHBondContact O-N 2.91Å; T392-M395 PolarHBondContact O-N 3.07Å; C393-M395 VanDerWaalsContact C-N 3.27Å; C393-M395 PolarHBondContact O-N 2.66Å; M395-Q399 CarbonylContact O-C 3.55Å; M395-Q399 WeakPolarHBondContact O-CA 3.45Å; M395-Q399 PolarHBondContact O-N 3.31Å; M395-Q399 HydrophobicContact SD-CB 4.09Å |
| 396 | R | 94.7 | Very high | 90.9 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.8 | -30 | -177.9 | 178.9 | 58.7 | -179.4 | 73.3 | 6.2 | 114.1 | F93 F96 L139 T392 C393 V403 | F93-R396 PolarHBondContact O-NH2 3.32Å; F96-R396 HydrophobicContact CD1-CB 4.42Å; F96-R396 HydrophobicContact CD1-CG 3.53Å; F96-R396 HydrophobicContact CD2-CG 4.08Å; F96-R396 HydrophobicContact CE1-CB 3.9Å; F96-R396 HydrophobicContact CE1-CG 3.5Å; F96-R396 VanDerWaalsContact CE1-CG 3.5Å; F96-R396 HydrophobicContact CE2-CG 4.05Å; F96-R396 HydrophobicContact CG-CG 3.86Å; F96-R396 HydrophobicContact CZ-CB 3.99Å; F96-R396 HydrophobicContact CZ-CG 3.77Å; L139-R396 HydrophobicContact CD2-CB 3.83Å; L139-R396 HydrophobicContact CD2-CG 3.95Å; T392-R396 PolarHBondContact O-N 3.05Å; C393-R396 PolarHBondContact O-N 2.82Å; R396-V403 HydrophobicContact CB-CG2 4.4Å |
| 397 | I | 93.9 | Very high | 90.5 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.2 | -54.6 | 174.5 | -62.9 | 174.4 | 0 | 0 | 0 | 110.5 | F96 E100 I103 C393 | F96-I397 HydrophobicContact CE1-CG1 3.95Å; E100-I397 HydrophobicContact CG-CD1 4.2Å; E100-I397 HydrophobicContact CG-CG2 3.98Å; I103-I397 HydrophobicContact CG1-CD1 3.87Å; C393-I397 WeakPolarHBondContact O-CG1 3.31Å; C393-I397 PolarHBondContact O-N 2.97Å |
| 398 | R | 94.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78.5 | -24.9 | -170.2 | -61.1 | 176.7 | 174.8 | -176.6 | -2.4 | 114 | E100 E121 W124 L394 | E100-R398 WeakPolarHBondContact OE1-CD 3.41Å; E100-R398 WeakPolarHBondContact OE1-CG 3.48Å; E100-R398 IonicContact OE1-CZ 3.74Å; E100-R398 IonicContact OE1-NE 3.73Å; E100-R398 PolarHBondContact OE1-NE 2.88Å; E100-R398 IonicContact OE1-NH2 3.32Å; E100-R398 IonicContact OE2-CZ 3.97Å; E100-R398 IonicContact OE2-NE 2.67Å; E100-R398 PolarHBondContact OE2-NE 2.92Å; E100-R398 IonicContact OE2-NH2 2.67Å; E100-R398 PolarHBondContact OE2-NH2 2.71Å; E121-R398 IonicContact OE1-CZ 2.73Å; E121-R398 IonicContact OE1-NH1 2.61Å; E121-R398 PolarHBondContact OE1-NH1 3.37Å; E121-R398 IonicContact OE1-NH2 3.4Å; E121-R398 PolarHBondContact OE1-NH2 3.02Å; W124-R398 VanDerWaalsContact CE2-CD 3.47Å; W124-R398 VanDerWaalsContact CE3-NH1 3.25Å; W124-R398 HydrophobicContact CH2-CB 4.5Å; W124-R398 HydrophobicContact CZ2-CB 3.62Å; W124-R398 HydrophobicContact CZ2-CG 4.06Å; W124-R398 VanDerWaalsContact CZ3-NH1 3.25Å; L394-R398 WeakPolarHBondContact O-CB 3.48Å; L394-R398 VanDerWaalsContact O-CG 3.31Å; L394-R398 WeakPolarHBondContact O-CG 3.46Å; L394-R398 PolarHBondContact O-N 3.29Å |
| 399 | Q | 90.7 | Very high | 89.5 | Confident | 55 Ų | 55 | 49 Ų | 49 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | trans | -141 | 56.7 | -173.4 | -60.1 | -176.6 | 8.7 | 0 | 0 | 112.2 | W124 M395 D401 K402 | W124-Q399 HydrophobicContact CZ2-CG 4.46Å; M395-Q399 CarbonylContact O-C 3.55Å; M395-Q399 WeakPolarHBondContact O-CA 3.45Å; M395-Q399 PolarHBondContact O-N 3.31Å; M395-Q399 HydrophobicContact SD-CB 4.09Å; Q399-D401 VanDerWaalsContact C-N 3.3Å; Q399-D401 PolarHBondContact O-N 2.95Å; Q399-K402 HydrophobicContact CB-CD 4.15Å; Q399-K402 HydrophobicContact CB-CG 4.38Å; Q399-K402 PolarHBondContact O-N 3.4Å; Q399-K402 VanDerWaalsContact O-N 3.11Å; Q399-K402 VanDerWaalsContact OE1-CE 3.3Å | ||
| 400 | P | 90.9 | Very high | 88.9 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -55.7 | -39.8 | -173.8 | 22.6 | -34.1 | 0 | 0 | 0 | 113.4 | F93 K402 V403 | F93-P400 HydrophobicContact CE2-CB 3.87Å; F93-P400 HydrophobicContact CZ-CB 3.98Å; P400-K402 PolarHBondContact O-N 2.99Å; P400-V403 PolarHBondContact O-N 2.93Å |
| 401 | D | 84.7 | Confident | 88.5 | Confident | 160.5 Ų | 160.5 | 54.2 Ų | 54.2 | 86% | 0.858 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -63.9 | -13.5 | -176.9 | -47.3 | -47.3 | 0 | 0 | 0 | 114.4 | Q399 | Q399-D401 VanDerWaalsContact C-N 3.3Å; Q399-D401 PolarHBondContact O-N 2.95Å |
| 402 | K | 85 | Confident | 88.1 | Confident | 147.5 Ų | 147.5 | 56.5 Ų | 56.5 | 64% | 0.641 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -92.7 | -11.3 | 177 | -62.8 | -169.7 | -171.3 | 171.6 | 0 | 113.6 | Q399 P400 | Q399-K402 HydrophobicContact CB-CD 4.15Å; Q399-K402 HydrophobicContact CB-CG 4.38Å; Q399-K402 PolarHBondContact O-N 3.4Å; Q399-K402 VanDerWaalsContact O-N 3.11Å; Q399-K402 VanDerWaalsContact OE1-CE 3.3Å; P400-K402 PolarHBondContact O-N 2.99Å |
| 403 | V | 82.6 | Confident | 87.7 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -93 | 113.1 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | C132 Q134 L139 R396 P400 L405 | C132-V403 HydrophobicContact CB-CG2 4.27Å; Q134-V403 HydrophobicContact CB-CG1 3.98Å; L139-V403 HydrophobicContact CD1-CG1 3.71Å; R396-V403 HydrophobicContact CB-CG2 4.4Å; P400-V403 PolarHBondContact O-N 2.93Å; V403-L405 PolarHBondContact O-N 2.81Å; V403-L405 VanDerWaalsContact O-N 3.15Å |
| 404 | L | 83.7 | Confident | 87.1 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 59% | 0.586 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 107.6 | 179.1 | -120.6 | 163 | 0 | 0 | 0 | 110.3 | C132 V133 Q134 R406 | C132-L404 PolarHBondContact O-N 3.18Å; V133-L404 WeakPolarHBondContact CA-O 3.28Å; V133-L404 HydrophobicContact CG1-CD2 4.34Å; V133-L404 WeakPolarHBondContact CG1-O 3.45Å; V133-L404 HydrophobicContact CG2-CB 4.36Å; Q134-L404 PolarHBondContact N-O 2.9Å; Q134-L404 VanDerWaalsContact O-O 3.11Å; L404-R406 HydrophobicContact CD2-CG 3.9Å |
| 405 | L | 82.8 | Confident | 86.6 | Confident | 93.5 Ų | 93.5 | 69.1 Ų | 69.1 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.8 | 173.1 | -120.5 | 118.9 | 0 | 0 | 0 | 110.8 | R89 F93 Q134 V403 | R89-L405 HydrophobicContact CB-CD2 4.16Å; F93-L405 HydrophobicContact CB-CD2 4.08Å; F93-L405 HydrophobicContact CD2-CD2 4.25Å; Q134-L405 HydrophobicContact CB-CD1 3.94Å; Q134-L405 VanDerWaalsContact CD-CD1 3.43Å; Q134-L405 HydrophobicContact CG-CD1 3.75Å; Q134-L405 CarbonylContact O-C 3.51Å; Q134-L405 WeakPolarHBondContact O-CA 3.46Å; V403-L405 PolarHBondContact O-N 2.81Å; V403-L405 VanDerWaalsContact O-N 3.15Å |
| 406 | R | 84 | Confident | 86.4 | Confident | 158.5 Ų | 158.5 | 71.6 Ų | 71.6 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.5 | 170.4 | -62.3 | -172.4 | 178.6 | 93.5 | -0.3 | 109.6 | Q134 I135 G136 L404 | Q134-R406 PolarHBondContact O-N 3.13Å; I135-R406 HydrophobicContact CG1-CB 4.47Å; I135-R406 HydrophobicContact CG2-CB 4.44Å; G136-R406 PolarHBondContact N-O 3.32Å; L404-R406 HydrophobicContact CD2-CG 3.9Å |
| 407 | A | 82.8 | Confident | 86.1 | Confident | 20.5 Ų | 20.5 | 73.1 Ų | 73.1 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | trans | -63.9 | 167.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E85 R89 I135 G136 E411 | E85-A407 HydrophobicContact CG-CB 3.46Å; E85-A407 VanDerWaalsContact CG-CB 3.46Å; E85-A407 VanDerWaalsContact OE1-CB 3.28Å; E85-A407 WeakPolarHBondContact OE1-CB 3.31Å; R89-A407 HydrophobicContact CG-CB 4.14Å; I135-A407 VanDerWaalsContact CG2-O 3.31Å; I135-A407 WeakPolarHBondContact CG2-O 3.41Å; G136-A407 PolarHBondContact N-O 3.14Å; A407-E411 HydrophobicContact CB-CB 4.39Å; A407-E411 HydrophobicContact CB-CG 4.17Å | ||
| 408 | P | 80.2 | Confident | 85.9 | Confident | 16.5 Ų | 16.5 | 81.4 Ų | 81.4 | 11% | 0.107 | 41% | 0.408 | C | S | . | . | trans | -52.2 | 154 | 168.6 | -25.7 | 36 | 0 | 0 | 0 | 112.3 | F73 S410 E411 S412 D464 T466 V467 | F73-P408 HydrophobicContact CE1-CG 4Å; F73-P408 HydrophobicContact CZ-CG 4.48Å; P408-S410 VanDerWaalsContact C-N 3.32Å; P408-S410 PolarHBondContact O-N 3.3Å; P408-E411 PolarHBondContact O-N 3.21Å; P408-S412 PolarHBondContact O-N 2.93Å; P408-S412 PolarHBondContact O-OG 2.98Å; P408-D464 WeakPolarHBondContact CB-OD2 3.39Å; P408-T466 WeakPolarHBondContact CA-OG1 3.36Å; P408-V467 HydrophobicContact CB-CB 4.4Å; P408-V467 HydrophobicContact CB-CG2 3.71Å; P408-V467 HydrophobicContact CG-CB 4.47Å; P408-V467 HydrophobicContact CG-CG2 4.1Å | ||
| 409 | I | 85.3 | Confident | 85.8 | Confident | 73.5 Ų | 73.5 | 83.6 Ų | 83.6 | 38% | 0.377 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -71.6 | -29.7 | -175.9 | -155.1 | 172.1 | 0 | 0 | 0 | 111.2 | E411 S412 L413 D464 T466 | I409-E411 VanDerWaalsContact C-N 3.32Å; I409-E411 PolarHBondContact O-N 3.15Å; I409-S412 CarbonylContact O-C 3.51Å; I409-S412 WeakPolarHBondContact O-CA 3.5Å; I409-S412 WeakPolarHBondContact O-CB 3.37Å; I409-S412 PolarHBondContact O-N 3.01Å; I409-S412 VanDerWaalsContact O-N 3.13Å; I409-L413 HydrophobicContact CG1-CD1 4.3Å; I409-L413 HydrophobicContact CG1-CG 4.33Å; I409-L413 HydrophobicContact CG2-CD1 4.44Å; I409-L413 WeakPolarHBondContact O-CB 3.47Å; I409-L413 VanDerWaalsContact O-CG 3.25Å; I409-L413 WeakPolarHBondContact O-CG 3.36Å; I409-L413 PolarHBondContact O-N 3.35Å; I409-D464 WeakPolarHBondContact CG2-OD1 3.33Å; I409-D464 PolarHBondContact N-OD2 2.83Å; I409-T466 HydrophobicContact CG2-CG2 4.43Å; I409-T466 PolarHBondContact N-OG1 3.2Å |
| 410 | S | 82.8 | Confident | 85.9 | Confident | 45 Ų | 45 | 84 Ų | 84 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -53.4 | -50.2 | 169.2 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | P408 S412 L413 S414 D464 | P408-S410 VanDerWaalsContact C-N 3.32Å; P408-S410 PolarHBondContact O-N 3.3Å; S410-S412 PolarHBondContact O-N 3.07Å; S410-L413 PolarHBondContact O-N 2.91Å; S410-L413 VanDerWaalsContact O-N 3.14Å; S410-S414 WeakPolarHBondContact O-CB 3.47Å; S410-S414 PolarHBondContact O-N 3.05Å; S410-S414 PolarHBondContact O-OG 3.33Å; S410-D464 VanDerWaalsContact CB-OD2 3.25Å; S410-D464 WeakPolarHBondContact CB-OD2 3.19Å; S410-D464 PolarHBondContact N-OD2 3.31Å; S410-D464 PolarHBondContact OG-OD2 3.15Å |
| 411 | E | 84.6 | Confident | 85.9 | Confident | 64.5 Ų | 64.5 | 86.2 Ų | 86.2 | 30% | 0.301 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70 | -17.6 | 177.6 | -169.7 | 131.4 | 160.9 | 0 | 0 | 112.9 | E85 A407 P408 I409 S414 K415 | E85-E411 HydrophobicContact CG-CG 4.02Å; A407-E411 HydrophobicContact CB-CB 4.39Å; A407-E411 HydrophobicContact CB-CG 4.17Å; P408-E411 PolarHBondContact O-N 3.21Å; I409-E411 VanDerWaalsContact C-N 3.32Å; I409-E411 PolarHBondContact O-N 3.15Å; E411-S414 WeakPolarHBondContact CA-OG 3.21Å; E411-S414 PolarHBondContact O-OG 2.96Å; E411-S414 PolarHBondContact OE2-OG 3.32Å; E411-K415 VanDerWaalsContact O-CD 3.26Å; E411-K415 WeakPolarHBondContact O-CD 3.31Å; E411-K415 VanDerWaalsContact O-CE 3.29Å; E411-K415 WeakPolarHBondContact O-CE 3.34Å; E411-K415 VanDerWaalsContact O-CG 3.31Å; E411-K415 WeakPolarHBondContact O-CG 3.47Å; E411-K415 PolarHBondContact O-NZ 3.05Å; E411-K415 WeakPolarHBondContact OE1-CE 3.46Å; E411-K415 IonicContact OE1-NZ 2.97Å; E411-K415 PolarHBondContact OE1-NZ 2.97Å; E411-K415 IonicContact OE2-NZ 2.86Å |
| 412 | S | 86.3 | Confident | 86.2 | Confident | 48 Ų | 48 | 84 Ų | 84 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -85.6 | -35.1 | 171.1 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | P408 I409 S410 | P408-S412 PolarHBondContact O-N 2.93Å; P408-S412 PolarHBondContact O-OG 2.98Å; I409-S412 CarbonylContact O-C 3.51Å; I409-S412 WeakPolarHBondContact O-CA 3.5Å; I409-S412 WeakPolarHBondContact O-CB 3.37Å; I409-S412 PolarHBondContact O-N 3.01Å; I409-S412 VanDerWaalsContact O-N 3.13Å; S410-S412 PolarHBondContact O-N 3.07Å |
| 413 | L | 86.7 | Confident | 86.5 | Confident | 54.5 Ų | 54.5 | 81.7 Ų | 81.7 | 29% | 0.285 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -77.2 | -35.5 | 179.1 | -68.6 | 167.7 | 0 | 0 | 0 | 111.9 | I409 S410 K415 L416 L421 F424 | I409-L413 HydrophobicContact CG1-CD1 4.3Å; I409-L413 HydrophobicContact CG1-CG 4.33Å; I409-L413 HydrophobicContact CG2-CD1 4.44Å; I409-L413 WeakPolarHBondContact O-CB 3.47Å; I409-L413 VanDerWaalsContact O-CG 3.25Å; I409-L413 WeakPolarHBondContact O-CG 3.36Å; I409-L413 PolarHBondContact O-N 3.35Å; S410-L413 PolarHBondContact O-N 2.91Å; S410-L413 VanDerWaalsContact O-N 3.14Å; L413-K415 PolarHBondContact O-N 3Å; L413-L416 HydrophobicContact CD2-CD1 4.1Å; L413-L416 PolarHBondContact O-N 2.98Å; L413-L416 VanDerWaalsContact O-N 3.12Å; L413-L421 HydrophobicContact CB-CD1 4.34Å; L413-L421 HydrophobicContact CD2-CD1 3.73Å; L413-F424 HydrophobicContact CD2-CD1 3.81Å; L413-F424 HydrophobicContact CD2-CE1 3.64Å; L413-F424 HydrophobicContact CD2-CE2 4.49Å; L413-F424 HydrophobicContact CD2-CG 4.24Å; L413-F424 HydrophobicContact CD2-CZ 4.1Å |
| 414 | S | 83.6 | Confident | 86.9 | Confident | 85.5 Ų | 85.5 | 84 Ų | 84 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.4 | 176 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | S410 E411 | S410-S414 WeakPolarHBondContact O-CB 3.47Å; S410-S414 PolarHBondContact O-N 3.05Å; S410-S414 PolarHBondContact O-OG 3.33Å; E411-S414 WeakPolarHBondContact CA-OG 3.21Å; E411-S414 PolarHBondContact O-OG 2.96Å; E411-S414 PolarHBondContact OE2-OG 3.32Å |
| 415 | K | 85.5 | Confident | 87.1 | Confident | 125 Ų | 125 | 80.8 Ų | 80.8 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8 | 177.4 | -65.2 | 178.3 | -176.3 | 135.6 | 0 | 114 | E85 E411 L413 | E85-K415 IonicContact OE2-NZ 2.75Å; E85-K415 PolarHBondContact OE2-NZ 3.14Å; E411-K415 VanDerWaalsContact O-CD 3.26Å; E411-K415 WeakPolarHBondContact O-CD 3.31Å; E411-K415 VanDerWaalsContact O-CE 3.29Å; E411-K415 WeakPolarHBondContact O-CE 3.34Å; E411-K415 VanDerWaalsContact O-CG 3.31Å; E411-K415 WeakPolarHBondContact O-CG 3.47Å; E411-K415 PolarHBondContact O-NZ 3.05Å; E411-K415 WeakPolarHBondContact OE1-CE 3.46Å; E411-K415 IonicContact OE1-NZ 2.97Å; E411-K415 PolarHBondContact OE1-NZ 2.97Å; E411-K415 IonicContact OE2-NZ 2.86Å; L413-K415 PolarHBondContact O-N 3Å |
| 416 | L | 88.2 | Confident | 87.4 | Confident | 68 Ų | 68 | 81.5 Ų | 81.5 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -85.5 | 143.4 | -179.6 | -62.2 | 179.8 | 0 | 0 | 0 | 111.5 | L413 D420 L421 F424 | L413-L416 HydrophobicContact CD2-CD1 4.1Å; L413-L416 PolarHBondContact O-N 2.98Å; L413-L416 VanDerWaalsContact O-N 3.12Å; L416-D420 HydrophobicContact CB-CB 4.26Å; L416-D420 HydrophobicContact CD2-CB 4.28Å; L416-L421 HydrophobicContact CB-CB 4.44Å; L416-L421 HydrophobicContact CD1-CD1 4.28Å; L416-F424 HydrophobicContact CD1-CB 4.23Å; L416-F424 HydrophobicContact CD1-CG 4.47Å |
| 417 | S | 90 | Very high | 87.6 | Confident | 45.5 Ų | 45.5 | 78 Ų | 78 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | trans | -64.1 | 163.1 | 165.4 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | E419 D420 L421 | S417-E419 PolarHBondContact O-N 3.1Å; S417-D420 PolarHBondContact O-N 3.21Å; S417-D420 VanDerWaalsContact O-N 3.11Å; S417-D420 WeakPolarHBondContact OG-CB 3.27Å; S417-D420 PolarHBondContact OG-N 3.21Å; S417-D420 PolarHBondContact OG-OD2 2.93Å; S417-L421 WeakPolarHBondContact O-CB 3.36Å; S417-L421 PolarHBondContact O-N 3.21Å | ||
| 418 | R | 89.5 | Confident | 87.8 | Confident | 206 Ų | 206 | 80.1 Ų | 80.1 | 78% | 0.777 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.3 | -38.3 | 175.7 | -176.3 | -179.2 | -179.9 | -179.6 | 0.8 | 111.3 | Q422 | R418-Q422 WeakPolarHBondContact O-CB 3.42Å; R418-Q422 PolarHBondContact O-N 3.31Å |
| 419 | E | 91.9 | Very high | 88 | Confident | 112.5 Ų | 112.5 | 82.5 Ų | 82.5 | 53% | 0.526 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 177.9 | -63.8 | 65.2 | -145.2 | 0 | 0 | 111 | S417 Q422 K423 | S417-E419 PolarHBondContact O-N 3.1Å; E419-Q422 PolarHBondContact O-N 3.45Å; E419-K423 WeakPolarHBondContact O-CE 3.25Å; E419-K423 VanDerWaalsContact O-CG 3.26Å; E419-K423 WeakPolarHBondContact O-CG 3.34Å; E419-K423 PolarHBondContact O-N 3.21Å |
| 420 | D | 92.5 | Very high | 88 | Confident | 63.5 Ų | 63.5 | 83.4 Ų | 83.4 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -76.6 | -31.2 | 177.9 | -62.4 | -44.3 | 0 | 0 | 0 | 112.5 | L416 S417 K423 F424 | L416-D420 HydrophobicContact CB-CB 4.26Å; L416-D420 HydrophobicContact CD2-CB 4.28Å; S417-D420 PolarHBondContact O-N 3.21Å; S417-D420 VanDerWaalsContact O-N 3.11Å; S417-D420 WeakPolarHBondContact OG-CB 3.27Å; S417-D420 PolarHBondContact OG-N 3.21Å; S417-D420 PolarHBondContact OG-OD2 2.93Å; D420-K423 PolarHBondContact O-N 2.95Å; D420-K423 IonicContact OD1-NZ 3.12Å; D420-K423 PolarHBondContact OD1-NZ 3.28Å; D420-F424 VanDerWaalsContact O-CB 3.26Å; D420-F424 WeakPolarHBondContact O-CB 3.21Å; D420-F424 PolarHBondContact O-N 3.37Å |
| 421 | L | 90.9 | Very high | 87.9 | Confident | 79.5 Ų | 79.5 | 88.5 Ų | 88.5 | 42% | 0.416 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 169.9 | -170.5 | 69.1 | 0 | 0 | 0 | 111.2 | L413 L416 S417 F424 A425 | L413-L421 HydrophobicContact CB-CD1 4.34Å; L413-L421 HydrophobicContact CD2-CD1 3.73Å; L416-L421 HydrophobicContact CB-CB 4.44Å; L416-L421 HydrophobicContact CD1-CD1 4.28Å; S417-L421 WeakPolarHBondContact O-CB 3.36Å; S417-L421 PolarHBondContact O-N 3.21Å; L421-F424 HydrophobicContact CD1-CD1 4.4Å; L421-F424 WeakPolarHBondContact O-CB 3.36Å; L421-F424 PolarHBondContact O-N 3.05Å; L421-A425 PolarHBondContact O-N 3.37Å |
| 422 | Q | 90.9 | Very high | 87.5 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 171.9 | -179 | 177.2 | -14 | 0 | 0 | 111.5 | R418 E419 F424 A425 Q426 | R418-Q422 WeakPolarHBondContact O-CB 3.42Å; R418-Q422 PolarHBondContact O-N 3.31Å; E419-Q422 PolarHBondContact O-N 3.45Å; Q422-F424 VanDerWaalsContact C-N 3.29Å; Q422-F424 PolarHBondContact O-N 3.08Å; Q422-A425 PolarHBondContact O-N 3.05Å; Q422-Q426 WeakPolarHBondContact O-CB 3.3Å; Q422-Q426 VanDerWaalsContact O-CG 3.31Å; Q422-Q426 WeakPolarHBondContact O-CG 3.46Å; Q422-Q426 PolarHBondContact O-N 3.42Å |
| 423 | K | 91.5 | Very high | 86.9 | Confident | 100 Ų | 100 | 87.5 Ų | 87.5 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 173.2 | -69.4 | 166.6 | -148.6 | 159.8 | 0 | 111.5 | E419 D420 Q426 N427 | E419-K423 WeakPolarHBondContact O-CE 3.25Å; E419-K423 VanDerWaalsContact O-CG 3.26Å; E419-K423 WeakPolarHBondContact O-CG 3.34Å; E419-K423 PolarHBondContact O-N 3.21Å; D420-K423 PolarHBondContact O-N 2.95Å; D420-K423 IonicContact OD1-NZ 3.12Å; D420-K423 PolarHBondContact OD1-NZ 3.28Å; K423-Q426 PolarHBondContact O-N 2.85Å; K423-N427 VanDerWaalsContact O-CB 3.27Å; K423-N427 WeakPolarHBondContact O-CB 3.35Å; K423-N427 PolarHBondContact O-N 2.99Å; K423-N427 PolarHBondContact O-ND2 3.12Å |
| 424 | F | 90.8 | Very high | 86.2 | Confident | 77.5 Ų | 77.5 | 88.5 Ų | 88.5 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 176.4 | 171.8 | -98.7 | 0 | 0 | 0 | 110.5 | L413 L416 D420 L421 Q422 Q426 N427 L428 | L413-F424 HydrophobicContact CD2-CD1 3.81Å; L413-F424 HydrophobicContact CD2-CE1 3.64Å; L413-F424 HydrophobicContact CD2-CE2 4.49Å; L413-F424 HydrophobicContact CD2-CG 4.24Å; L413-F424 HydrophobicContact CD2-CZ 4.1Å; L416-F424 HydrophobicContact CD1-CB 4.23Å; L416-F424 HydrophobicContact CD1-CG 4.47Å; D420-F424 VanDerWaalsContact O-CB 3.26Å; D420-F424 WeakPolarHBondContact O-CB 3.21Å; D420-F424 PolarHBondContact O-N 3.37Å; L421-F424 HydrophobicContact CD1-CD1 4.4Å; L421-F424 WeakPolarHBondContact O-CB 3.36Å; L421-F424 PolarHBondContact O-N 3.05Å; Q422-F424 VanDerWaalsContact C-N 3.29Å; Q422-F424 PolarHBondContact O-N 3.08Å; F424-Q426 PolarHBondContact O-N 3.2Å; F424-N427 PolarHBondContact O-N 3.23Å; F424-L428 HydrophobicContact CE1-CD2 4.23Å; F424-L428 HydrophobicContact CZ-CD1 4.36Å; F424-L428 HydrophobicContact CZ-CD2 4.4Å; F424-L428 VanDerWaalsContact O-CB 3.27Å; F424-L428 WeakPolarHBondContact O-CB 3.46Å; F424-L428 PolarHBondContact O-N 3.18Å |
| 425 | A | 88.9 | Confident | 85.8 | Confident | 44.5 Ų | 44.5 | 95.7 Ų | 95.7 | 37% | 0.368 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L421 Q422 L428 I429 | L421-A425 PolarHBondContact O-N 3.37Å; Q422-A425 PolarHBondContact O-N 3.05Å; A425-L428 PolarHBondContact O-N 3.17Å; A425-I429 WeakPolarHBondContact O-CG1 3.31Å; A425-I429 PolarHBondContact O-N 3.28Å |
| 426 | Q | 88.6 | Confident | 85.3 | Confident | 109.5 Ų | 109.5 | 97.2 Ų | 97.2 | 51% | 0.512 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 176.2 | -72.6 | 172.8 | -19.5 | 0 | 0 | 112.3 | Q422 K423 F424 L428 I429 C430 | Q422-Q426 WeakPolarHBondContact O-CB 3.3Å; Q422-Q426 VanDerWaalsContact O-CG 3.31Å; Q422-Q426 WeakPolarHBondContact O-CG 3.46Å; Q422-Q426 PolarHBondContact O-N 3.42Å; K423-Q426 PolarHBondContact O-N 2.85Å; F424-Q426 PolarHBondContact O-N 3.2Å; Q426-L428 VanDerWaalsContact C-N 3.33Å; Q426-L428 PolarHBondContact O-N 3.48Å; Q426-I429 PolarHBondContact O-N 3.02Å; Q426-C430 WeakPolarHBondContact O-CB 3.36Å; Q426-C430 PolarHBondContact O-N 3.05Å |
| 427 | N | 88 | Confident | 85 | Confident | 84.5 Ų | 84.5 | 95.5 Ų | 95.5 | 45% | 0.452 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | 176.9 | -78.5 | -60.2 | 0 | 0 | 0 | 112.2 | K423 F424 C430 H431 | K423-N427 VanDerWaalsContact O-CB 3.27Å; K423-N427 WeakPolarHBondContact O-CB 3.35Å; K423-N427 PolarHBondContact O-N 2.99Å; K423-N427 PolarHBondContact O-ND2 3.12Å; F424-N427 PolarHBondContact O-N 3.23Å; N427-C430 PolarHBondContact O-N 3.14Å; N427-H431 WeakPolarHBondContact O-CB 3.46Å; N427-H431 PolarHBondContact O-CD2 2.91Å; N427-H431 VanDerWaalsContact O-CD2 3.25Å; N427-H431 PolarHBondContact O-N 3.13Å |
| 428 | L | 86.5 | Confident | 84.6 | Confident | 64.5 Ų | 64.5 | 97.1 Ų | 97.1 | 34% | 0.338 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 175.9 | -168.2 | 73.2 | 0 | 0 | 0 | 110.8 | F424 A425 Q426 C430 H431 V432 I437 | F424-L428 HydrophobicContact CE1-CD2 4.23Å; F424-L428 HydrophobicContact CZ-CD1 4.36Å; F424-L428 HydrophobicContact CZ-CD2 4.4Å; F424-L428 VanDerWaalsContact O-CB 3.27Å; F424-L428 WeakPolarHBondContact O-CB 3.46Å; F424-L428 PolarHBondContact O-N 3.18Å; A425-L428 PolarHBondContact O-N 3.17Å; Q426-L428 VanDerWaalsContact C-N 3.33Å; Q426-L428 PolarHBondContact O-N 3.48Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-C430 PolarHBondContact O-N 3.21Å; L428-H431 PolarHBondContact O-N 2.92Å; L428-V432 HydrophobicContact CD1-CG2 3.64Å; L428-V432 HydrophobicContact CG-CG2 4.02Å; L428-V432 VanDerWaalsContact O-CB 3.24Å; L428-V432 WeakPolarHBondContact O-CB 3.37Å; L428-V432 VanDerWaalsContact O-CG2 3.29Å; L428-V432 WeakPolarHBondContact O-CG2 3.44Å; L428-V432 PolarHBondContact O-N 3.37Å; L428-I437 HydrophobicContact CD2-CD1 3.63Å; L428-I437 HydrophobicContact CG-CD1 3.69Å |
| 429 | I | 84.5 | Confident | 84.4 | Confident | 66.5 Ų | 66.5 | 91 Ų | 91 | 34% | 0.341 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.4 | -67 | 165.7 | 0 | 0 | 0 | 111.1 | A425 Q426 I437 L438 | A425-I429 WeakPolarHBondContact O-CG1 3.31Å; A425-I429 PolarHBondContact O-N 3.28Å; Q426-I429 PolarHBondContact O-N 3.02Å; I429-I437 HydrophobicContact CG1-CG2 4.39Å; I429-L438 HydrophobicContact CG2-CD2 3.98Å |
| 430 | C | 85.3 | Confident | 83.9 | Confident | 92.5 Ų | 92.5 | 88 Ų | 88 | 63% | 0.625 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -48.9 | 178.5 | -169.1 | 0 | 0 | 0 | 0 | 112.8 | Q426 N427 L428 | Q426-C430 WeakPolarHBondContact O-CB 3.36Å; Q426-C430 PolarHBondContact O-N 3.05Å; N427-C430 PolarHBondContact O-N 3.14Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-C430 PolarHBondContact O-N 3.21Å |
| 431 | H | 80.9 | Confident | 83.6 | Confident | 152 Ų | 152 | 86.1 Ų | 86.1 | 70% | 0.704 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -88.8 | -32.3 | -170.7 | -73.3 | -63.4 | 0 | 0 | 0 | 115.2 | N427 L428 G433 | N427-H431 WeakPolarHBondContact O-CB 3.46Å; N427-H431 PolarHBondContact O-CD2 2.91Å; N427-H431 VanDerWaalsContact O-CD2 3.25Å; N427-H431 PolarHBondContact O-N 3.13Å; L428-H431 PolarHBondContact O-N 2.92Å; H431-G433 PolarHBondContact O-N 2.92Å |
| 432 | V | 77.3 | Confident | 83.4 | Confident | 68.5 Ų | 68.5 | 86.9 Ų | 86.9 | 42% | 0.415 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.9 | -20.7 | 177.1 | 179 | 0 | 0 | 0 | 0 | 111.2 | L428 K436 I437 | L428-V432 HydrophobicContact CD1-CG2 3.64Å; L428-V432 HydrophobicContact CG-CG2 4.02Å; L428-V432 VanDerWaalsContact O-CB 3.24Å; L428-V432 WeakPolarHBondContact O-CB 3.37Å; L428-V432 VanDerWaalsContact O-CG2 3.29Å; L428-V432 WeakPolarHBondContact O-CG2 3.44Å; L428-V432 PolarHBondContact O-N 3.37Å; V432-K436 HydrophobicContact CG1-CB 4.22Å; V432-I437 HydrophobicContact CB-CG2 4.39Å; V432-I437 HydrophobicContact CG1-CB 4.32Å; V432-I437 HydrophobicContact CG1-CG2 4.49Å |
| 433 | G | 72.2 | Confident | 83.1 | Confident | 23 Ų | 23 | 86.6 Ų | 86.6 | 24% | 0.237 | 45% | 0.454 | C | S | . | . | trans | 90.1 | 135.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | H431 R435 K436 | H431-G433 PolarHBondContact O-N 2.92Å; G433-R435 VanDerWaalsContact C-N 3.26Å; G433-R435 PolarHBondContact O-N 3.05Å; G433-R435 VanDerWaalsContact O-N 3.12Å; G433-K436 PolarHBondContact O-N 3.41Å; G433-K436 VanDerWaalsContact O-N 3.09Å | ||
| 434 | P | 72.9 | Confident | 82.7 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.9 | -35.3 | -168.6 | 19.3 | -32.2 | 0 | 0 | 0 | 113.5 | K436 I437 L438 | P434-K436 VanDerWaalsContact C-N 3.28Å; P434-K436 PolarHBondContact O-N 3.11Å; P434-I437 PolarHBondContact O-N 3.32Å; P434-L438 HydrophobicContact CB-CD1 3.43Å; P434-L438 VanDerWaalsContact CB-CD1 3.43Å; P434-L438 HydrophobicContact CB-CG 3.83Å; P434-L438 VanDerWaalsContact O-CB 3.26Å; P434-L438 WeakPolarHBondContact O-CB 3.43Å; P434-L438 WeakPolarHBondContact O-CG 3.32Å; P434-L438 PolarHBondContact O-N 3.21Å |
| 435 | R | 74.2 | Confident | 82.5 | Confident | 237.5 Ų | 237.5 | 86.2 Ų | 86.2 | 90% | 0.896 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.8 | -31 | -179.2 | -69.5 | -171.9 | 177.1 | -159.7 | -0.6 | 114.3 | G433 | G433-R435 VanDerWaalsContact C-N 3.26Å; G433-R435 PolarHBondContact O-N 3.05Å; G433-R435 VanDerWaalsContact O-N 3.12Å |
| 436 | K | 75.6 | Confident | 82.4 | Confident | 156 Ų | 156 | 87.9 Ų | 87.9 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -90.5 | -36.3 | -177 | -68.3 | -170.3 | 176.3 | -170.3 | 0 | 112.8 | V432 G433 P434 | V432-K436 HydrophobicContact CG1-CB 4.22Å; G433-K436 PolarHBondContact O-N 3.41Å; G433-K436 VanDerWaalsContact O-N 3.09Å; P434-K436 VanDerWaalsContact C-N 3.28Å; P434-K436 PolarHBondContact O-N 3.11Å |
| 437 | I | 82.1 | Confident | 82.1 | Confident | 33 Ų | 33 | 86.6 Ų | 86.6 | 17% | 0.169 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -110.2 | -27.5 | -168.3 | -161.6 | 167.4 | 0 | 0 | 0 | 114.6 | L428 I429 V432 P434 A440 A441 | L428-I437 HydrophobicContact CD2-CD1 3.63Å; L428-I437 HydrophobicContact CG-CD1 3.69Å; I429-I437 HydrophobicContact CG1-CG2 4.39Å; V432-I437 HydrophobicContact CB-CG2 4.39Å; V432-I437 HydrophobicContact CG1-CB 4.32Å; V432-I437 HydrophobicContact CG1-CG2 4.49Å; P434-I437 PolarHBondContact O-N 3.32Å; I437-A440 PolarHBondContact O-N 2.76Å; I437-A441 HydrophobicContact CG1-CB 4.47Å; I437-A441 WeakPolarHBondContact O-CB 3.44Å; I437-A441 PolarHBondContact O-N 2.96Å |
| 438 | L | 82 | Confident | 81.9 | Confident | 78.5 Ų | 78.5 | 86.1 Ų | 86.1 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | -179.7 | -73.8 | -178.1 | 0 | 0 | 0 | 113.9 | I429 P434 A440 A441 Q442 | I429-L438 HydrophobicContact CG2-CD2 3.98Å; P434-L438 HydrophobicContact CB-CD1 3.43Å; P434-L438 VanDerWaalsContact CB-CD1 3.43Å; P434-L438 HydrophobicContact CB-CG 3.83Å; P434-L438 VanDerWaalsContact O-CB 3.26Å; P434-L438 WeakPolarHBondContact O-CB 3.43Å; P434-L438 WeakPolarHBondContact O-CG 3.32Å; P434-L438 PolarHBondContact O-N 3.21Å; L438-A440 VanDerWaalsContact C-N 3.34Å; L438-A440 PolarHBondContact O-N 3.17Å; L438-A441 PolarHBondContact O-N 3.28Å; L438-Q442 WeakPolarHBondContact O-CB 3.13Å; L438-Q442 PolarHBondContact O-N 3.37Å |
| 439 | P | 84.5 | Confident | 81.8 | Confident | 78.5 Ų | 78.5 | 89.3 Ų | 89.3 | 51% | 0.51 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 179.8 | -24.5 | 35.2 | 0 | 0 | 0 | 112.2 | L443 | P439-L443 WeakPolarHBondContact O-CB 3.4Å; P439-L443 WeakPolarHBondContact O-CD1 3.1Å; P439-L443 VanDerWaalsContact O-CG 3.26Å; P439-L443 WeakPolarHBondContact O-CG 3.35Å; P439-L443 PolarHBondContact O-N 3.31Å; P439-L443 VanDerWaalsContact O-N 3.09Å |
| 440 | A | 82.2 | Confident | 81.6 | Confident | 50.5 Ų | 50.5 | 88.1 Ų | 88.1 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I437 L438 Q442 L443 I444 | I437-A440 PolarHBondContact O-N 2.76Å; L438-A440 VanDerWaalsContact C-N 3.34Å; L438-A440 PolarHBondContact O-N 3.17Å; A440-Q442 VanDerWaalsContact C-N 3.35Å; A440-Q442 PolarHBondContact O-N 3.36Å; A440-L443 PolarHBondContact O-N 3.48Å; A440-I444 WeakPolarHBondContact O-CD1 3.37Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.31Å; A440-I444 PolarHBondContact O-N 3.13Å |
| 441 | A | 86.3 | Confident | 80.9 | Confident | 22 Ų | 22 | 88.6 Ų | 88.6 | 18% | 0.182 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I437 L438 I444 L445 | I437-A441 HydrophobicContact CG1-CB 4.47Å; I437-A441 WeakPolarHBondContact O-CB 3.44Å; I437-A441 PolarHBondContact O-N 2.96Å; L438-A441 PolarHBondContact O-N 3.28Å; A441-I444 PolarHBondContact O-N 3.03Å; A441-L445 WeakPolarHBondContact O-CB 3.44Å; A441-L445 VanDerWaalsContact O-CG 3.25Å; A441-L445 WeakPolarHBondContact O-CG 3.27Å; A441-L445 PolarHBondContact O-N 3.16Å |
| 442 | Q | 85.7 | Confident | 80.5 | Confident | 97.5 Ų | 97.5 | 86.4 Ų | 86.4 | 46% | 0.456 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 175.5 | -169.2 | 64.8 | 46 | 0 | 0 | 110.8 | L438 A440 I444 L445 D446 | L438-Q442 WeakPolarHBondContact O-CB 3.13Å; L438-Q442 PolarHBondContact O-N 3.37Å; A440-Q442 VanDerWaalsContact C-N 3.35Å; A440-Q442 PolarHBondContact O-N 3.36Å; Q442-I444 VanDerWaalsContact C-N 3.28Å; Q442-I444 PolarHBondContact O-N 3.1Å; Q442-L445 PolarHBondContact O-N 3.11Å; Q442-L445 VanDerWaalsContact O-N 3.15Å; Q442-D446 PolarHBondContact NE2-OD1 3.27Å; Q442-D446 WeakPolarHBondContact O-CB 3.39Å; Q442-D446 PolarHBondContact O-N 2.96Å |
| 443 | L | 85.1 | Confident | 80 | Confident | 106.5 Ų | 106.5 | 89.3 Ų | 89.3 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -37 | 175.6 | -74.8 | 169.1 | 0 | 0 | 0 | 113 | P439 A440 Q447 | P439-L443 WeakPolarHBondContact O-CB 3.4Å; P439-L443 WeakPolarHBondContact O-CD1 3.1Å; P439-L443 VanDerWaalsContact O-CG 3.26Å; P439-L443 WeakPolarHBondContact O-CG 3.35Å; P439-L443 PolarHBondContact O-N 3.31Å; P439-L443 VanDerWaalsContact O-N 3.09Å; A440-L443 PolarHBondContact O-N 3.48Å; L443-Q447 WeakPolarHBondContact O-CB 3.28Å; L443-Q447 VanDerWaalsContact O-CG 3.24Å; L443-Q447 WeakPolarHBondContact O-CG 3.38Å; L443-Q447 PolarHBondContact O-N 3.02Å; L443-Q447 PolarHBondContact O-NE2 3.13Å; L443-Q447 VanDerWaalsContact O-NE2 3.15Å |
| 444 | I | 84 | Confident | 79.7 | Confident | 85 Ų | 85 | 89.4 Ų | 89.4 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.1 | -41.8 | 175.4 | -67.4 | 163.4 | 0 | 0 | 0 | 110.8 | A440 A441 Q442 Q447 L448 | A440-I444 WeakPolarHBondContact O-CD1 3.37Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.31Å; A440-I444 PolarHBondContact O-N 3.13Å; A441-I444 PolarHBondContact O-N 3.03Å; Q442-I444 VanDerWaalsContact C-N 3.28Å; Q442-I444 PolarHBondContact O-N 3.1Å; I444-Q447 PolarHBondContact O-N 2.88Å; I444-L448 HydrophobicContact CG2-CD1 3.9Å; I444-L448 HydrophobicContact CG2-CG 4.48Å; I444-L448 WeakPolarHBondContact O-CB 3.45Å; I444-L448 WeakPolarHBondContact O-CG 3.38Å; I444-L448 PolarHBondContact O-N 2.88Å |
| 445 | L | 85.8 | Confident | 79.4 | Confident | 84.5 Ų | 84.5 | 91 Ų | 91 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 176.7 | -76 | 167.9 | 0 | 0 | 0 | 112 | A441 Q442 Q447 L448 L449 | A441-L445 WeakPolarHBondContact O-CB 3.44Å; A441-L445 VanDerWaalsContact O-CG 3.25Å; A441-L445 WeakPolarHBondContact O-CG 3.27Å; A441-L445 PolarHBondContact O-N 3.16Å; Q442-L445 PolarHBondContact O-N 3.11Å; Q442-L445 VanDerWaalsContact O-N 3.15Å; L445-Q447 VanDerWaalsContact C-N 3.27Å; L445-Q447 PolarHBondContact O-N 3.19Å; L445-L448 CarbonylContact O-C 3.51Å; L445-L448 PolarHBondContact O-N 3.42Å; L445-L448 VanDerWaalsContact O-N 3.11Å; L445-L449 VanDerWaalsContact O-CB 3.27Å; L445-L449 WeakPolarHBondContact O-CB 3.33Å; L445-L449 WeakPolarHBondContact O-CG 3.25Å; L445-L449 PolarHBondContact O-N 3.39Å |
| 446 | D | 86.6 | Confident | 79.3 | Confident | 80 Ų | 80 | 82.6 Ų | 82.6 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 177.4 | -67.5 | -20.4 | 0 | 0 | 0 | 110.6 | Q442 L449 A450 | Q442-D446 PolarHBondContact NE2-OD1 3.27Å; Q442-D446 WeakPolarHBondContact O-CB 3.39Å; Q442-D446 PolarHBondContact O-N 2.96Å; D446-L449 PolarHBondContact O-N 2.76Å; D446-A450 VanDerWaalsContact O-CB 3.3Å; D446-A450 WeakPolarHBondContact O-CB 3.42Å; D446-A450 PolarHBondContact O-N 2.84Å |
| 447 | Q | 83.3 | Confident | 79 | Confident | 82.5 Ų | 82.5 | 79.1 Ų | 79.1 | 39% | 0.386 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 172.5 | -76.2 | 176.4 | 69.5 | 0 | 0 | 112.4 | L443 I444 L445 L449 A450 N454 I456 | L443-Q447 WeakPolarHBondContact O-CB 3.28Å; L443-Q447 VanDerWaalsContact O-CG 3.24Å; L443-Q447 WeakPolarHBondContact O-CG 3.38Å; L443-Q447 PolarHBondContact O-N 3.02Å; L443-Q447 PolarHBondContact O-NE2 3.13Å; L443-Q447 VanDerWaalsContact O-NE2 3.15Å; I444-Q447 PolarHBondContact O-N 2.88Å; L445-Q447 VanDerWaalsContact C-N 3.27Å; L445-Q447 PolarHBondContact O-N 3.19Å; Q447-L449 VanDerWaalsContact C-N 3.3Å; Q447-L449 PolarHBondContact O-N 3.33Å; Q447-A450 PolarHBondContact O-N 3.1Å; Q447-N454 VanDerWaalsContact C-ND2 3.27Å; Q447-N454 PolarHBondContact O-ND2 3.47Å; Q447-I456 HydrophobicContact CB-CD1 4.37Å; Q447-I456 VanDerWaalsContact OE1-CD1 3.3Å |
| 448 | L | 82.7 | Confident | 78.4 | Confident | 74.5 Ų | 74.5 | 83.3 Ų | 83.3 | 39% | 0.39 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.7 | -21.2 | 177.6 | -75 | 172.3 | 0 | 0 | 0 | 113.6 | I444 L445 I456 K457 | I444-L448 HydrophobicContact CG2-CD1 3.9Å; I444-L448 HydrophobicContact CG2-CG 4.48Å; I444-L448 WeakPolarHBondContact O-CB 3.45Å; I444-L448 WeakPolarHBondContact O-CG 3.38Å; I444-L448 PolarHBondContact O-N 2.88Å; L445-L448 CarbonylContact O-C 3.51Å; L445-L448 PolarHBondContact O-N 3.42Å; L445-L448 VanDerWaalsContact O-N 3.11Å; L448-I456 HydrophobicContact CD2-CB 4.5Å; L448-I456 HydrophobicContact CD2-CG2 3.8Å; L448-I456 HydrophobicContact CG-CG2 4.26Å; L448-K457 HydrophobicContact CD2-CG 4.3Å; L448-K457 WeakPolarHBondContact O-CE 3.29Å; L448-K457 PolarHBondContact O-NZ 3.27Å |
| 449 | L | 84.2 | Confident | 77.9 | Confident | 131 Ų | 131 | 82.3 Ų | 82.3 | 69% | 0.686 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -96.6 | -25.4 | 179.3 | -67.1 | 171.8 | 0 | 0 | 0 | 113.2 | L445 D446 Q447 A451 | L445-L449 VanDerWaalsContact O-CB 3.27Å; L445-L449 WeakPolarHBondContact O-CB 3.33Å; L445-L449 WeakPolarHBondContact O-CG 3.25Å; L445-L449 PolarHBondContact O-N 3.39Å; D446-L449 PolarHBondContact O-N 2.76Å; Q447-L449 VanDerWaalsContact C-N 3.3Å; Q447-L449 PolarHBondContact O-N 3.33Å; L449-A451 PolarHBondContact O-N 3.24Å |
| 450 | A | 81 | Confident | 77 | Confident | 42.5 Ų | 42.5 | 84.4 Ų | 84.4 | 35% | 0.351 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -52.9 | 134.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D446 Q447 T452 K457 | D446-A450 VanDerWaalsContact O-CB 3.3Å; D446-A450 WeakPolarHBondContact O-CB 3.42Å; D446-A450 PolarHBondContact O-N 2.84Å; Q447-A450 PolarHBondContact O-N 3.1Å; A450-T452 PolarHBondContact O-N 3.23Å; A450-T452 VanDerWaalsContact O-N 3.13Å; A450-K457 PolarHBondContact O-NZ 2.99Å |
| 451 | A | 70.2 | Confident | 76.3 | Confident | 101.5 Ų | 101.5 | 84.3 Ų | 84.3 | 84% | 0.839 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -63.6 | -23.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L449 | L449-A451 PolarHBondContact O-N 3.24Š|
| 452 | T | 71.7 | Confident | 75.6 | Confident | 107 Ų | 107 | 87.5 Ų | 87.5 | 66% | 0.656 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -70.7 | 139 | 178.6 | -46 | 0 | 0 | 0 | 0 | 111.8 | A450 N454 | A450-T452 PolarHBondContact O-N 3.23Å; A450-T452 VanDerWaalsContact O-N 3.13Å; T452-N454 PolarHBondContact O-N 3.23Å; T452-N454 VanDerWaalsContact O-N 3.15Å |
| 453 | N | 66.9 | Low | 74.9 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 68% | 0.684 | 55% | 0.547 | S | S | * | . | trans | -64.3 | 115.4 | 166.9 | -73.1 | -14.6 | 0 | 0 | 0 | 109.7 | ||||
| 454 | N | 67.2 | Low | 74.4 | Confident | 25.5 Ų | 25.5 | 85.1 Ų | 85.1 | 14% | 0.136 | 53% | 0.528 | C | S | . | . | trans | -117.8 | 160.8 | 176.2 | 63.9 | -6.9 | 0 | 0 | 0 | 110 | Q447 T452 I456 K457 N458 | Q447-N454 VanDerWaalsContact C-ND2 3.27Å; Q447-N454 PolarHBondContact O-ND2 3.47Å; T452-N454 PolarHBondContact O-N 3.23Å; T452-N454 VanDerWaalsContact O-N 3.15Å; N454-I456 PolarHBondContact O-N 3.2Å; N454-I456 VanDerWaalsContact O-N 3.14Å; N454-K457 PolarHBondContact O-N 3.39Å; N454-K457 VanDerWaalsContact OD1-CB 3.28Å; N454-K457 WeakPolarHBondContact OD1-CB 3.46Å; N454-K457 WeakPolarHBondContact OD1-CD 3.17Å; N454-K457 VanDerWaalsContact OD1-CG 3.27Å; N454-K457 WeakPolarHBondContact OD1-CG 3.39Å; N454-K457 PolarHBondContact OD1-N 3.18Å; N454-N458 PolarHBondContact O-N 3.31Å | ||
| 455 | P | 66.7 | Low | 73.8 | Confident | 110 Ų | 110 | 86.1 Ų | 86.1 | 71% | 0.714 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.5 | -33.2 | -177 | 19.6 | -32.8 | 0 | 0 | 0 | 113.2 | K457 N458 S459 | P455-K457 VanDerWaalsContact C-N 3.33Å; P455-K457 PolarHBondContact O-N 3.35Å; P455-N458 CarbonylContact O-C 3.59Å; P455-N458 PolarHBondContact O-N 3.01Å; P455-N458 VanDerWaalsContact O-N 3.12Å; P455-S459 VanDerWaalsContact O-CB 3.28Å; P455-S459 WeakPolarHBondContact O-CB 3.34Å; P455-S459 PolarHBondContact O-N 2.86Å; P455-S459 PolarHBondContact O-OG 3.24Å |
| 456 | I | 70.7 | Confident | 73.5 | Confident | 59.5 Ų | 59.5 | 83.6 Ų | 83.6 | 31% | 0.305 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | -179.4 | -51.5 | -172.9 | 0 | 0 | 0 | 112.1 | Q447 L448 N454 N458 S459 | Q447-I456 HydrophobicContact CB-CD1 4.37Å; Q447-I456 VanDerWaalsContact OE1-CD1 3.3Å; L448-I456 HydrophobicContact CD2-CB 4.5Å; L448-I456 HydrophobicContact CD2-CG2 3.8Å; L448-I456 HydrophobicContact CG-CG2 4.26Å; N454-I456 PolarHBondContact O-N 3.2Å; N454-I456 VanDerWaalsContact O-N 3.14Å; I456-N458 VanDerWaalsContact C-N 3.28Å; I456-N458 PolarHBondContact O-N 3.45Å; I456-S459 PolarHBondContact O-N 3.49Å; I456-S459 PolarHBondContact O-OG 2.72Å |
| 457 | K | 70 | Confident | 72.8 | Confident | 82.5 Ų | 82.5 | 82.4 Ų | 82.4 | 36% | 0.359 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -29.4 | 175.6 | -84.7 | 179.9 | 173.6 | -175.1 | 0 | 113.9 | L448 A450 N454 P455 | L448-K457 HydrophobicContact CD2-CG 4.3Å; L448-K457 WeakPolarHBondContact O-CE 3.29Å; L448-K457 PolarHBondContact O-NZ 3.27Å; A450-K457 PolarHBondContact O-NZ 2.99Å; N454-K457 PolarHBondContact O-N 3.39Å; N454-K457 VanDerWaalsContact OD1-CB 3.28Å; N454-K457 WeakPolarHBondContact OD1-CB 3.46Å; N454-K457 WeakPolarHBondContact OD1-CD 3.17Å; N454-K457 VanDerWaalsContact OD1-CG 3.27Å; N454-K457 WeakPolarHBondContact OD1-CG 3.39Å; N454-K457 PolarHBondContact OD1-N 3.18Å; P455-K457 VanDerWaalsContact C-N 3.33Å; P455-K457 PolarHBondContact O-N 3.35Å |
| 458 | N | 69.2 | Low | 72.2 | Confident | 122.5 Ų | 122.5 | 79.6 Ų | 79.6 | 66% | 0.655 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -99.1 | -12.5 | -175.9 | -67.6 | -0.3 | 0 | 0 | 0 | 112.7 | N454 P455 I456 | N454-N458 PolarHBondContact O-N 3.31Å; P455-N458 CarbonylContact O-C 3.59Å; P455-N458 PolarHBondContact O-N 3.01Å; P455-N458 VanDerWaalsContact O-N 3.12Å; I456-N458 VanDerWaalsContact C-N 3.28Å; I456-N458 PolarHBondContact O-N 3.45Å |
| 459 | S | 71 | Confident | 71.5 | Confident | 56.5 Ų | 56.5 | 77.4 Ų | 77.4 | 40% | 0.395 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -76.2 | 143.1 | 173.3 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | P455 I456 G461 | P455-S459 VanDerWaalsContact O-CB 3.28Å; P455-S459 WeakPolarHBondContact O-CB 3.34Å; P455-S459 PolarHBondContact O-N 2.86Å; P455-S459 PolarHBondContact O-OG 3.24Å; I456-S459 PolarHBondContact O-N 3.49Å; I456-S459 PolarHBondContact O-OG 2.72Å; S459-G461 WeakPolarHBondContact CB-O 3.38Å; S459-G461 PolarHBondContact O-N 3.37Å; S459-G461 VanDerWaalsContact O-N 3.15Å; S459-G461 PolarHBondContact OG-O 2.92Å |
| 460 | A | 65.8 | Low | 70.8 | Confident | 122.5 Ų | 122.5 | 73.6 Ų | 73.6 | 100% | 1.012 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -70.4 | -3.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 461 | G | 68.3 | Low | 69.8 | Low | 48.5 Ų | 48.5 | 77.7 Ų | 77.7 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | trans | 160.7 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S459 | S459-G461 WeakPolarHBondContact CB-O 3.38Å; S459-G461 PolarHBondContact O-N 3.37Å; S459-G461 VanDerWaalsContact O-N 3.15Å; S459-G461 PolarHBondContact OG-O 2.92Å | ||
| 462 | A | 71.9 | Confident | 69.5 | Low | 90.5 Ų | 90.5 | 76.6 Ų | 76.6 | 75% | 0.748 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 149.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | D464 | A462-D464 PolarHBondContact O-N 2.92Š|
| 463 | P | 70.5 | Confident | 69 | Low | 125 Ų | 125 | 76.2 Ų | 76.2 | 81% | 0.812 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 138 | 174.4 | 27 | -34.5 | 0 | 0 | 0 | 110.7 | P465 | P463-P465 WeakPolarHBondContact O-CD 3.35Š|
| 464 | D | 74 | Confident | 68.6 | Low | 28 Ų | 28 | 73.8 Ų | 73.8 | 15% | 0.15 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 116.4 | -179.4 | 177.9 | -2.6 | 0 | 0 | 0 | 110.8 | P408 I409 S410 A462 T466 V467 | P408-D464 WeakPolarHBondContact CB-OD2 3.39Å; I409-D464 WeakPolarHBondContact CG2-OD1 3.33Å; I409-D464 PolarHBondContact N-OD2 2.83Å; S410-D464 VanDerWaalsContact CB-OD2 3.25Å; S410-D464 WeakPolarHBondContact CB-OD2 3.19Å; S410-D464 PolarHBondContact N-OD2 3.31Å; S410-D464 PolarHBondContact OG-OD2 3.15Å; A462-D464 PolarHBondContact O-N 2.92Å; D464-T466 VanDerWaalsContact CG-OG1 3.22Å; D464-T466 PolarHBondContact O-N 3.03Å; D464-T466 VanDerWaalsContact O-N 3.08Å; D464-T466 WeakPolarHBondContact OD1-CA 3.46Å; D464-T466 WeakPolarHBondContact OD1-CB 3.45Å; D464-T466 PolarHBondContact OD1-N 3.26Å; D464-T466 PolarHBondContact OD1-OG1 3.23Å; D464-T466 PolarHBondContact OD2-OG1 3.11Å; D464-T466 VanDerWaalsContact OD2-OG1 3.1Å; D464-V467 HydrophobicContact CB-CB 4.27Å; D464-V467 HydrophobicContact CB-CG2 3.76Å; D464-V467 WeakPolarHBondContact O-CB 3.5Å; D464-V467 PolarHBondContact O-N 2.94Å; D464-V467 VanDerWaalsContact O-N 3.15Å |
| 465 | P | 73 | Confident | 68.3 | Low | 105 Ų | 105 | 75.1 Ų | 75.1 | 68% | 0.682 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -3.6 | 178.8 | 31.2 | -37.2 | 0 | 0 | 0 | 114.1 | P463 | P463-P465 WeakPolarHBondContact O-CD 3.35Š|
| 466 | T | 78.1 | Confident | 68.3 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 20% | 0.202 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -7.5 | 176.5 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | I135 G136 F137 H138 P408 I409 D464 | I135-T466 HydrophobicContact CB-CG2 4.28Å; I135-T466 HydrophobicContact CG2-CG2 3.99Å; I135-T466 WeakPolarHBondContact O-CB 3.28Å; G136-T466 WeakPolarHBondContact CA-O 3.17Å; F137-T466 PolarHBondContact N-O 3.18Å; H138-T466 HydrophobicContact CB-CG2 3.98Å; P408-T466 WeakPolarHBondContact CA-OG1 3.36Å; I409-T466 HydrophobicContact CG2-CG2 4.43Å; I409-T466 PolarHBondContact N-OG1 3.2Å; D464-T466 VanDerWaalsContact CG-OG1 3.22Å; D464-T466 PolarHBondContact O-N 3.03Å; D464-T466 VanDerWaalsContact O-N 3.08Å; D464-T466 WeakPolarHBondContact OD1-CA 3.46Å; D464-T466 WeakPolarHBondContact OD1-CB 3.45Å; D464-T466 PolarHBondContact OD1-N 3.26Å; D464-T466 PolarHBondContact OD1-OG1 3.23Å; D464-T466 PolarHBondContact OD2-OG1 3.11Å; D464-T466 VanDerWaalsContact OD2-OG1 3.1Å |
| 467 | V | 71.4 | Confident | 68.4 | Low | 54.5 Ų | 54.5 | 74.7 Ų | 74.7 | 33% | 0.33 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -71.3 | -120.4 | 166.1 | 165.4 | 0 | 0 | 0 | 0 | 110.1 | F73 E77 P408 D464 | F73-V467 HydrophobicContact CD1-CG1 4.23Å; E77-V467 VanDerWaalsContact OE1-CG2 3.32Å; E77-V467 WeakPolarHBondContact OE1-CG2 3.03Å; P408-V467 HydrophobicContact CB-CB 4.4Å; P408-V467 HydrophobicContact CB-CG2 3.71Å; P408-V467 HydrophobicContact CG-CB 4.47Å; P408-V467 HydrophobicContact CG-CG2 4.1Å; D464-V467 HydrophobicContact CB-CB 4.27Å; D464-V467 HydrophobicContact CB-CG2 3.76Å; D464-V467 WeakPolarHBondContact O-CB 3.5Å; D464-V467 PolarHBondContact O-N 2.94Å; D464-V467 VanDerWaalsContact O-N 3.15Å |
| 468 | G | 72.4 | Confident | 68.5 | Low | 24.5 Ų | 24.5 | 74.2 Ų | 74.2 | 25% | 0.253 | 52% | 0.517 | S | S | . | . | trans | 4.5 | -166.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F137 | F137-G468 VanDerWaalsContact CD2-N 3.35Å; F137-G468 VanDerWaalsContact CG-CA 3.43Å | ||
| 469 | G | 68 | Low | 68.9 | Low | 28 Ų | 28 | 71.1 Ų | 71.1 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | trans | -68.5 | 150.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P72 | P72-G469 WeakPolarHBondContact CB-O 3.28Š| ||
| 470 | A | 67.9 | Low | 69 | Low | 51 Ų | 51 | 72.5 Ų | 72.5 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | trans | -80.9 | 168.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | E74 G472 D473 | E74-A470 WeakPolarHBondContact OE2-CA 3.34Å; E74-A470 WeakPolarHBondContact OE2-CB 3.22Å; A470-G472 PolarHBondContact O-N 3.24Å; A470-D473 WeakPolarHBondContact CB-OD2 3.32Å; A470-D473 PolarHBondContact N-OD2 3.13Å; A470-D473 PolarHBondContact O-N 2.95Å; A470-D473 VanDerWaalsContact O-N 3.1Å | ||
| 471 | L | 61.2 | Low | 69.6 | Low | 128 Ų | 128 | 67.4 Ų | 67.4 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 99.5 | 173.1 | -94.3 | 168.2 | 0 | 0 | 0 | 111 | P72 E74 V75 | P72-L471 HydrophobicContact CG-CD2 4.26Å; E74-L471 HydrophobicContact CB-CG 4.21Å; E74-L471 HydrophobicContact CG-CD1 4.02Å; E74-L471 HydrophobicContact CG-CG 4.08Å; E74-L471 WeakPolarHBondContact OE2-CB 3.4Å; E74-L471 PolarHBondContact OE2-N 3.38Å; V75-L471 HydrophobicContact CG2-CD2 3.63Å |
| 472 | G | 63.2 | Low | 70.1 | Confident | 79.5 Ų | 79.5 | 67 Ų | 67 | 82% | 0.82 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117 | -11.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A470 A474 | A470-G472 PolarHBondContact O-N 3.24Å; G472-A474 PolarHBondContact O-N 3.2Å |
| 473 | D | 62 | Low | 70.5 | Confident | 98.5 Ų | 98.5 | 64.6 Ų | 64.6 | 53% | 0.527 | 43% | 0.432 | S | S | . | . | trans | -65.7 | 129.8 | 174.3 | -75.1 | -15.5 | 0 | 0 | 0 | 110.6 | R242 A470 A475 | R242-D473 PolarHBondContact NH1-O 3Å; R242-D473 PolarHBondContact NH2-O 3.34Å; A470-D473 WeakPolarHBondContact CB-OD2 3.32Å; A470-D473 PolarHBondContact N-OD2 3.13Å; A470-D473 PolarHBondContact O-N 2.95Å; A470-D473 VanDerWaalsContact O-N 3.1Å; D473-A475 PolarHBondContact O-N 3.36Å | ||
| 474 | A | 57.5 | Low | 71.2 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 63% | 0.628 | 40% | 0.399 | S | S | * | . | trans | -72.7 | 121.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G472 A476 | G472-A474 PolarHBondContact O-N 3.2Å; A474-A476 VanDerWaalsContact C-N 3.31Å; A474-A476 PolarHBondContact O-N 3.15Å | ||
| 475 | A | 62.5 | Low | 71.8 | Confident | 53.5 Ų | 53.5 | 60 Ų | 60 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | trans | -68.1 | 89.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | R242 R244 D473 W477 | R242-A475 HydrophobicContact CB-CB 3.84Å; R244-A475 WeakPolarHBondContact CD-O 3.22Å; R244-A475 PolarHBondContact NE-O 2.88Å; D473-A475 PolarHBondContact O-N 3.36Å; A475-W477 PolarHBondContact O-N 3.42Å | ||
| 476 | A | 65.7 | Low | 72.3 | Confident | 50.5 Ų | 50.5 | 59 Ų | 59 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | trans | -92.1 | 137.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A474 C478 | A474-A476 VanDerWaalsContact C-N 3.31Å; A474-A476 PolarHBondContact O-N 3.15Å; A476-C478 PolarHBondContact O-N 2.98Å; A476-C478 VanDerWaalsContact O-N 3.14Å | ||
| 477 | W | 73.2 | Confident | 72.6 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | trans | -74.5 | 116.8 | 169.6 | -73.9 | 87.2 | 0 | 0 | 0 | 110.1 | P97 D102 I103 Y106 R244 I245 W385 A475 F479 D550 N552 | P97-W477 HydrophobicContact CB-CH2 3.55Å; P97-W477 HydrophobicContact CB-CZ2 4.23Å; P97-W477 HydrophobicContact CB-CZ3 4.38Å; P97-W477 HydrophobicContact CG-CH2 3.68Å; P97-W477 HydrophobicContact CG-CZ3 4.02Å; D102-W477 HydrophobicContact CB-CH2 3.8Å; D102-W477 HydrophobicContact CB-CZ2 3.58Å; I103-W477 HydrophobicContact CD1-CH2 4.31Å; I103-W477 HydrophobicContact CD1-CZ3 4.12Å; Y106-W477 HydrophobicContact CD1-CB 4.06Å; Y106-W477 HydrophobicContact CD2-CB 4.08Å; Y106-W477 AromaticContact CD2-CD2 3.88Å; Y106-W477 HydrophobicContact CD2-CD2 3.88Å; Y106-W477 HydrophobicContact CD2-CE3 4.22Å; Y106-W477 AromaticContact CD2-CG 3.86Å; Y106-W477 HydrophobicContact CD2-CG 3.86Å; Y106-W477 HydrophobicContact CE1-CB 3.58Å; Y106-W477 HydrophobicContact CE1-CG 4.28Å; Y106-W477 HydrophobicContact CE2-CB 3.59Å; Y106-W477 AromaticContact CE2-CD1 3.38Å; Y106-W477 AromaticContact CE2-CD2 3.79Å; Y106-W477 HydrophobicContact CE2-CD2 3.79Å; Y106-W477 AromaticContact CE2-CG 3.33Å; Y106-W477 HydrophobicContact CE2-CG 3.33Å; Y106-W477 AromaticContact CE2-NE1 3.81Å; Y106-W477 HydrophobicContact CG-CB 4.3Å; Y106-W477 AromaticContact CZ-CD1 3.7Å; Y106-W477 AromaticContact CZ-CG 3.58Å; R244-W477 HydrophobicContact CB-CD2 3.94Å; R244-W477 HydrophobicContact CB-CE3 4.45Å; R244-W477 HydrophobicContact CB-CG 4.11Å; R244-W477 HydrophobicContact CG-CD2 4.27Å; R244-W477 HydrophobicContact CG-CG 4.31Å; R244-W477 HydrophobicContact CG-CZ2 4.45Å; I245-W477 HydrophobicContact CB-CE3 3.95Å; I245-W477 HydrophobicContact CB-CZ3 3.96Å; I245-W477 HydrophobicContact CD1-CZ3 4.36Å; I245-W477 HydrophobicContact CG1-CE3 4.38Å; I245-W477 HydrophobicContact CG1-CZ3 3.87Å; I245-W477 VanDerWaalsContact N-CE3 3.25Å; I245-W477 CarbonylContact O-C 3.55Å; I245-W477 VanDerWaalsContact O-CA 3.3Å; I245-W477 WeakPolarHBondContact O-CA 3.46Å; W385-W477 HydrophobicContact CH2-CE3 4.02Å; W385-W477 AromaticContact CH2-CZ3 3.91Å; W385-W477 HydrophobicContact CH2-CZ3 3.91Å; W385-W477 HydrophobicContact CZ2-CE3 4.03Å; W385-W477 HydrophobicContact CZ2-CZ3 4.39Å; A475-W477 PolarHBondContact O-N 3.42Å; W477-F479 PolarHBondContact O-N 3.01Å; W477-D550 VanDerWaalsContact CD1-OD2 3.29Å; W477-N552 PolarHBondContact O-ND2 3.14Å | ||
| 478 | C | 72 | Confident | 73.4 | Confident | 72.5 Ų | 72.5 | 59.7 Ų | 59.7 | 49% | 0.49 | 38% | 0.382 | S | S | . | . | trans | -69.6 | 124.3 | 171.7 | -2.3 | 0 | 0 | 0 | 0 | 110.6 | I245 T246 C248 W385 A476 | I245-C478 PolarHBondContact O-N 2.93Å; I245-C478 PolarHBondContact O-SG 3.42Å; I245-C478 VanDerWaalsContact O-SG 3.32Å; T246-C478 WeakPolarHBondContact O-CB 3.38Å; C248-C478 PolarHBondContact SG-SG 3.14Å; W385-C478 PolarHBondContact NE1-O 2.93Å; A476-C478 PolarHBondContact O-N 2.98Å; A476-C478 VanDerWaalsContact O-N 3.14Å | ||
| 479 | F | 76.4 | Confident | 74.1 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 25% | 0.254 | 38% | 0.377 | S | S | . | . | trans | -128.1 | 137.9 | 172.3 | 116.8 | -104.3 | 0 | 0 | 0 | 109.7 | Y106 L109 W477 G481 L484 L555 L556 I559 | Y106-F479 HydrophobicContact CD1-CB 4.2Å; Y106-F479 HydrophobicContact CE1-CB 3.98Å; Y106-F479 HydrophobicContact CE1-CG 4.47Å; L109-F479 HydrophobicContact CB-CD2 4.25Å; L109-F479 HydrophobicContact CB-CE2 3.8Å; W477-F479 PolarHBondContact O-N 3.01Å; F479-G481 PolarHBondContact O-N 3.3Å; F479-G481 VanDerWaalsContact O-N 3.13Å; F479-L484 HydrophobicContact CD2-CD2 4.08Å; F479-L484 HydrophobicContact CE2-CD2 4.37Å; F479-L484 HydrophobicContact CZ-CB 4.32Å; F479-L484 HydrophobicContact CZ-CD2 3.87Å; F479-L555 HydrophobicContact CZ-CB 4.5Å; F479-L556 HydrophobicContact CD1-CD2 4.23Å; F479-L556 HydrophobicContact CD1-CG 4.46Å; F479-L556 HydrophobicContact CD2-CD2 4.2Å; F479-L556 HydrophobicContact CE1-CD2 3.57Å; F479-L556 VanDerWaalsContact CE1-CD2 3.49Å; F479-L556 HydrophobicContact CE1-CG 3.98Å; F479-L556 HydrophobicContact CE2-CD2 3.91Å; F479-L556 HydrophobicContact CG-CD2 4.25Å; F479-L556 HydrophobicContact CZ-CD2 3.56Å; F479-L556 HydrophobicContact CZ-CG 4.05Å; F479-I559 HydrophobicContact CE1-CD1 4.25Å; F479-I559 HydrophobicContact CE2-CD1 3.4Å; F479-I559 HydrophobicContact CZ-CD1 3.76Å | ||
| 480 | D | 74 | Confident | 74.9 | Confident | 84.5 Ų | 84.5 | 62.8 Ų | 62.8 | 45% | 0.452 | 39% | 0.386 | S | S | . | . | trans | -87 | 107.9 | 169.1 | 178.5 | -2.7 | 0 | 0 | 0 | 109.1 | T384 G482 V483 L484 | T384-D480 HydrophobicContact CG2-CB 3.99Å; D480-G482 VanDerWaalsContact C-N 3.3Å; D480-G482 PolarHBondContact O-N 3.41Å; D480-G482 WeakPolarHBondContact OD1-CA 3.2Å; D480-G482 PolarHBondContact OD1-N 3.2Å; D480-V483 HydrophobicContact CB-CB 4.04Å; D480-V483 HydrophobicContact CB-CG2 4.28Å; D480-V483 PolarHBondContact O-N 3.04Å; D480-V483 PolarHBondContact OD1-N 3.37Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.34Å; D480-L484 WeakPolarHBondContact O-CB 3.4Å; D480-L484 PolarHBondContact O-N 3.13Å | ||
| 481 | G | 78.1 | Confident | 75.6 | Confident | 16.5 Ų | 16.5 | 62.2 Ų | 62.2 | 17% | 0.17 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -30.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F479 V483 L484 E485 | F479-G481 PolarHBondContact O-N 3.3Å; F479-G481 VanDerWaalsContact O-N 3.13Å; G481-V483 PolarHBondContact O-N 2.81Å; G481-L484 PolarHBondContact O-N 2.89Å; G481-E485 VanDerWaalsContact O-CB 3.29Å; G481-E485 WeakPolarHBondContact O-CB 3.27Å; G481-E485 WeakPolarHBondContact O-CG 3.4Å; G481-E485 PolarHBondContact O-N 3.1Å |
| 482 | G | 79.4 | Confident | 76.8 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D480 E485 E486 | D480-G482 VanDerWaalsContact C-N 3.3Å; D480-G482 PolarHBondContact O-N 3.41Å; D480-G482 WeakPolarHBondContact OD1-CA 3.2Å; D480-G482 PolarHBondContact OD1-N 3.2Å; G482-E485 PolarHBondContact O-N 3.47Å; G482-E486 PolarHBondContact O-N 2.85Å |
| 483 | V | 80.4 | Confident | 77.8 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 24% | 0.242 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 177.1 | 175 | 0 | 0 | 0 | 0 | 111.6 | P381 D480 G481 E485 K487 | P381-V483 HydrophobicContact CB-CG2 4.41Å; P381-V483 HydrophobicContact CG-CG2 4.4Å; D480-V483 HydrophobicContact CB-CB 4.04Å; D480-V483 HydrophobicContact CB-CG2 4.28Å; D480-V483 PolarHBondContact O-N 3.04Å; D480-V483 PolarHBondContact OD1-N 3.37Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.34Å; G481-V483 PolarHBondContact O-N 2.81Å; V483-E485 VanDerWaalsContact C-N 3.33Å; V483-K487 HydrophobicContact CG1-CD 4.08Å; V483-K487 WeakPolarHBondContact O-CB 3.23Å; V483-K487 WeakPolarHBondContact O-CD 3.3Å; V483-K487 VanDerWaalsContact O-CG 3.28Å; V483-K487 WeakPolarHBondContact O-CG 3.3Å; V483-K487 PolarHBondContact O-N 3.18Å |
| 484 | L | 84.7 | Confident | 78.8 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.3 | 179.3 | 61.1 | 0 | 0 | 0 | 111.2 | L30 F32 L109 F479 D480 G481 E486 K487 L488 L538 L556 I559 | L30-L484 HydrophobicContact CD2-CD1 4.35Å; F32-L484 HydrophobicContact CZ-CD1 4.07Å; L109-L484 HydrophobicContact CD2-CD2 4.32Å; L109-L484 WeakPolarHBondContact O-CB 3.27Å; F479-L484 HydrophobicContact CD2-CD2 4.08Å; F479-L484 HydrophobicContact CE2-CD2 4.37Å; F479-L484 HydrophobicContact CZ-CB 4.32Å; F479-L484 HydrophobicContact CZ-CD2 3.87Å; D480-L484 WeakPolarHBondContact O-CB 3.4Å; D480-L484 PolarHBondContact O-N 3.13Å; G481-L484 PolarHBondContact O-N 2.89Å; L484-E486 PolarHBondContact O-N 3.26Å; L484-K487 PolarHBondContact O-N 3.16Å; L484-L488 HydrophobicContact CD1-CD1 4.2Å; L484-L488 HydrophobicContact CD1-CG 4.21Å; L484-L488 HydrophobicContact CD2-CD1 4.47Å; L484-L488 HydrophobicContact CG-CD1 3.92Å; L484-L488 HydrophobicContact CG-CG 4.37Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 VanDerWaalsContact O-CG 3.3Å; L484-L488 WeakPolarHBondContact O-CG 3.43Å; L484-L488 PolarHBondContact O-N 3.3Å; L484-L538 HydrophobicContact CD2-CD2 4.41Å; L484-L556 HydrophobicContact CD2-CD2 3.47Å; L484-L556 VanDerWaalsContact CD2-CD2 3.4Å; L484-I559 HydrophobicContact CD2-CG2 4.2Å; L484-I559 HydrophobicContact CG-CG2 4.41Å |
| 485 | E | 86.8 | Confident | 79.9 | Confident | 36.5 Ų | 36.5 | 59.3 Ų | 59.3 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 179.1 | -130.2 | -178.1 | 140.9 | 0 | 0 | 112.2 | G481 G482 V483 K487 L488 R489 I559 R562 | G481-E485 VanDerWaalsContact O-CB 3.29Å; G481-E485 WeakPolarHBondContact O-CB 3.27Å; G481-E485 WeakPolarHBondContact O-CG 3.4Å; G481-E485 PolarHBondContact O-N 3.1Å; G482-E485 PolarHBondContact O-N 3.47Å; V483-E485 VanDerWaalsContact C-N 3.33Å; E485-K487 PolarHBondContact O-N 3.47Å; E485-L488 WeakPolarHBondContact O-CB 3.19Å; E485-L488 PolarHBondContact O-N 3.19Å; E485-R489 WeakPolarHBondContact O-CG 3.43Å; E485-R489 PolarHBondContact O-N 3.02Å; E485-R489 IonicContact OE1-CZ 2.65Å; E485-R489 VanDerWaalsContact OE1-CZ 3.31Å; E485-R489 IonicContact OE1-NH1 2.69Å; E485-R489 PolarHBondContact OE1-NH1 3.41Å; E485-R489 VanDerWaalsContact OE1-NH1 3.14Å; E485-R489 IonicContact OE1-NH2 3.18Å; E485-R489 PolarHBondContact OE1-NH2 3.33Å; E485-R489 IonicContact OE2-CZ 3.5Å; E485-R489 IonicContact OE2-NH1 3.97Å; E485-R489 PolarHBondContact OE2-NH1 2.9Å; E485-R489 IonicContact OE2-NH2 3.7Å; E485-R489 PolarHBondContact OE2-NH2 2.73Å; E485-I559 HydrophobicContact CB-CG2 3.79Å; E485-I559 HydrophobicContact CG-CG2 3.87Å; E485-R562 IonicContact OE1-CZ 3.35Å; E485-R562 IonicContact OE1-NE 2.7Å; E485-R562 PolarHBondContact OE1-NE 3.41Å; E485-R562 IonicContact OE1-NH2 3.08Å; E485-R562 PolarHBondContact OE1-NH2 3.01Å; E485-R562 IonicContact OE2-CZ 3.6Å; E485-R562 IonicContact OE2-NE 3.2Å; E485-R562 IonicContact OE2-NH2 3.45Å; E485-R562 PolarHBondContact OE2-NH2 3.19Å |
| 486 | E | 84.3 | Confident | 80.8 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | -179.6 | -169.6 | 54.5 | -150.3 | 0 | 0 | 111.8 | G482 L484 L488 R489 V490 R493 | G482-E486 PolarHBondContact O-N 2.85Å; L484-E486 PolarHBondContact O-N 3.26Å; E486-L488 VanDerWaalsContact C-N 3.31Å; E486-L488 PolarHBondContact O-N 3.36Å; E486-R489 PolarHBondContact O-N 3.28Å; E486-R489 WeakPolarHBondContact OE2-CD 3.17Å; E486-R489 IonicContact OE2-CZ 3.84Å; E486-R489 IonicContact OE2-NE 2.7Å; E486-R489 IonicContact OE2-NH1 3.21Å; E486-R489 PolarHBondContact OE2-NH1 3.47Å; E486-V490 WeakPolarHBondContact O-CB 3.36Å; E486-V490 VanDerWaalsContact O-CG2 3.3Å; E486-V490 WeakPolarHBondContact O-CG2 3.19Å; E486-V490 PolarHBondContact O-N 3.2Å; E486-V490 WeakPolarHBondContact OE1-CG2 3.47Å; E486-R493 IonicContact OE1-NH1 2.79Å |
| 487 | K | 84.5 | Confident | 81.1 | Confident | 93 Ų | 93 | 57.7 Ų | 57.7 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 171.7 | -73.6 | -179.7 | 179.6 | -175.1 | 0 | 111.8 | L30 S111 V483 L484 E485 T491 | L30-K487 HydrophobicContact CD2-CB 4.32Å; S111-K487 PolarHBondContact O-NZ 3.36Å; V483-K487 HydrophobicContact CG1-CD 4.08Å; V483-K487 WeakPolarHBondContact O-CB 3.23Å; V483-K487 WeakPolarHBondContact O-CD 3.3Å; V483-K487 VanDerWaalsContact O-CG 3.28Å; V483-K487 WeakPolarHBondContact O-CG 3.3Å; V483-K487 PolarHBondContact O-N 3.18Å; L484-K487 PolarHBondContact O-N 3.16Å; E485-K487 PolarHBondContact O-N 3.47Å; K487-T491 VanDerWaalsContact O-CB 3.29Å; K487-T491 WeakPolarHBondContact O-CB 3.48Å; K487-T491 PolarHBondContact O-N 3.36Å; K487-T491 PolarHBondContact O-OG1 3.17Å |
| 488 | L | 87.5 | Confident | 80.6 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | 174.5 | -75.5 | 170.2 | 0 | 0 | 0 | 111.4 | L30 L484 E485 E486 V490 T491 L492 L535 L538 I559 V560 C563 | L30-L488 HydrophobicContact CD1-CD2 3.67Å; L30-L488 HydrophobicContact CD1-CG 4.28Å; L484-L488 HydrophobicContact CD1-CD1 4.2Å; L484-L488 HydrophobicContact CD1-CG 4.21Å; L484-L488 HydrophobicContact CD2-CD1 4.47Å; L484-L488 HydrophobicContact CG-CD1 3.92Å; L484-L488 HydrophobicContact CG-CG 4.37Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 VanDerWaalsContact O-CG 3.3Å; L484-L488 WeakPolarHBondContact O-CG 3.43Å; L484-L488 PolarHBondContact O-N 3.3Å; E485-L488 WeakPolarHBondContact O-CB 3.19Å; E485-L488 PolarHBondContact O-N 3.19Å; E486-L488 VanDerWaalsContact C-N 3.31Å; E486-L488 PolarHBondContact O-N 3.36Å; L488-V490 PolarHBondContact O-N 2.93Å; L488-T491 PolarHBondContact O-N 2.71Å; L488-L492 VanDerWaalsContact O-CB 3.26Å; L488-L492 WeakPolarHBondContact O-CB 3.38Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.43Å; L488-L492 PolarHBondContact O-N 3.12Å; L488-L535 HydrophobicContact CD2-CD1 4.09Å; L488-L538 HydrophobicContact CD1-CD2 4.2Å; L488-L538 HydrophobicContact CD2-CD2 4.07Å; L488-I559 HydrophobicContact CD1-CG2 4.09Å; L488-V560 HydrophobicContact CD1-CG2 3.97Å; L488-C563 HydrophobicContact CB-CB 4.26Å |
| 489 | R | 87.2 | Confident | 79.9 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 15% | 0.151 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 176.8 | -70.6 | -169.2 | -168.5 | 96.5 | 5.1 | 112 | E485 E486 T491 L492 R493 R562 C563 D566 | E485-R489 WeakPolarHBondContact O-CG 3.43Å; E485-R489 PolarHBondContact O-N 3.02Å; E485-R489 IonicContact OE1-CZ 2.65Å; E485-R489 VanDerWaalsContact OE1-CZ 3.31Å; E485-R489 IonicContact OE1-NH1 2.69Å; E485-R489 PolarHBondContact OE1-NH1 3.41Å; E485-R489 VanDerWaalsContact OE1-NH1 3.14Å; E485-R489 IonicContact OE1-NH2 3.18Å; E485-R489 PolarHBondContact OE1-NH2 3.33Å; E485-R489 IonicContact OE2-CZ 3.5Å; E485-R489 IonicContact OE2-NH1 3.97Å; E485-R489 PolarHBondContact OE2-NH1 2.9Å; E485-R489 IonicContact OE2-NH2 3.7Å; E485-R489 PolarHBondContact OE2-NH2 2.73Å; E486-R489 PolarHBondContact O-N 3.28Å; E486-R489 WeakPolarHBondContact OE2-CD 3.17Å; E486-R489 IonicContact OE2-CZ 3.84Å; E486-R489 IonicContact OE2-NE 2.7Å; E486-R489 IonicContact OE2-NH1 3.21Å; E486-R489 PolarHBondContact OE2-NH1 3.47Å; R489-T491 VanDerWaalsContact C-N 3.34Å; R489-T491 PolarHBondContact O-N 2.95Å; R489-L492 PolarHBondContact O-N 3.01Å; R489-R493 VanDerWaalsContact O-CB 3.3Å; R489-R493 WeakPolarHBondContact O-CB 3.41Å; R489-R493 WeakPolarHBondContact O-CD 3.23Å; R489-R493 VanDerWaalsContact O-CG 3.23Å; R489-R493 WeakPolarHBondContact O-CG 3.38Å; R489-R493 PolarHBondContact O-N 3.14Å; R489-R493 VanDerWaalsContact O-N 3.13Å; R489-R562 VanDerWaalsContact NH2-CZ 3.3Å; R489-C563 HydrophobicContact CG-CB 4.4Å; R489-C563 VanDerWaalsContact CG-SG 3.56Å; R489-D566 IonicContact NE-OD2 2.97Å; R489-D566 PolarHBondContact NE-OD2 2.98Å; R489-D566 IonicContact NH2-OD2 3.32Å |
| 490 | V | 84.8 | Confident | 78.7 | Confident | 77.5 Ų | 77.5 | 63.1 Ų | 63.1 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | E486 L488 R493 R494 | E486-V490 WeakPolarHBondContact O-CB 3.36Å; E486-V490 VanDerWaalsContact O-CG2 3.3Å; E486-V490 WeakPolarHBondContact O-CG2 3.19Å; E486-V490 PolarHBondContact O-N 3.2Å; E486-V490 WeakPolarHBondContact OE1-CG2 3.47Å; L488-V490 PolarHBondContact O-N 2.93Å; V490-R493 PolarHBondContact O-N 3.38Å; V490-R494 WeakPolarHBondContact O-CB 3.26Å; V490-R494 PolarHBondContact O-N 3.4Å |
| 491 | T | 82.6 | Confident | 77.6 | Confident | 38.5 Ų | 38.5 | 64.2 Ų | 64.2 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72 | -41.9 | -176.7 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | F28 K487 L488 R489 R494 F495 | F28-T491 HydrophobicContact CB-CG2 4.05Å; F28-T491 HydrophobicContact CD1-CG2 3.56Å; F28-T491 HydrophobicContact CD2-CG2 3.42Å; F28-T491 VanDerWaalsContact CD2-CG2 3.42Å; F28-T491 HydrophobicContact CE1-CG2 3.77Å; F28-T491 HydrophobicContact CE2-CG2 3.61Å; F28-T491 WeakPolarHBondContact CE2-O 3.29Å; F28-T491 HydrophobicContact CG-CG2 3.38Å; F28-T491 HydrophobicContact CZ-CG2 3.78Å; K487-T491 VanDerWaalsContact O-CB 3.29Å; K487-T491 WeakPolarHBondContact O-CB 3.48Å; K487-T491 PolarHBondContact O-N 3.36Å; K487-T491 PolarHBondContact O-OG1 3.17Å; L488-T491 PolarHBondContact O-N 2.71Å; R489-T491 VanDerWaalsContact C-N 3.34Å; R489-T491 PolarHBondContact O-N 2.95Å; T491-R494 PolarHBondContact O-N 3.21Å; T491-F495 WeakPolarHBondContact O-CB 3.34Å; T491-F495 PolarHBondContact O-N 3.14Å |
| 492 | L | 86 | Confident | 76.1 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 173.2 | -75 | 168.1 | 0 | 0 | 0 | 111.3 | F28 L488 R489 R494 F495 W496 L535 C563 I564 M567 | F28-L492 HydrophobicContact CZ-CD2 4.43Å; L488-L492 VanDerWaalsContact O-CB 3.26Å; L488-L492 WeakPolarHBondContact O-CB 3.38Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.43Å; L488-L492 PolarHBondContact O-N 3.12Å; R489-L492 PolarHBondContact O-N 3.01Å; L492-R494 PolarHBondContact O-N 3.06Å; L492-F495 PolarHBondContact O-N 3Å; L492-W496 PolarHBondContact O-N 3.24Å; L492-L535 HydrophobicContact CD2-CD2 3.86Å; L492-C563 HydrophobicContact CD1-CB 4.05Å; L492-I564 HydrophobicContact CD1-CG1 3.76Å; L492-I564 HydrophobicContact CD2-CG1 4.23Å; L492-M567 HydrophobicContact CB-CG 4.48Å |
| 493 | R | 84.4 | Confident | 74.5 | Confident | 126.5 Ų | 126.5 | 75.6 Ų | 75.6 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.5 | -71.4 | 171.3 | -175.8 | 157.8 | 2.9 | 111.9 | E486 R489 V490 F495 W496 A497 M567 | E486-R493 IonicContact OE1-NH1 2.79Å; R489-R493 VanDerWaalsContact O-CB 3.3Å; R489-R493 WeakPolarHBondContact O-CB 3.41Å; R489-R493 WeakPolarHBondContact O-CD 3.23Å; R489-R493 VanDerWaalsContact O-CG 3.23Å; R489-R493 WeakPolarHBondContact O-CG 3.38Å; R489-R493 PolarHBondContact O-N 3.14Å; R489-R493 VanDerWaalsContact O-N 3.13Å; V490-R493 PolarHBondContact O-N 3.38Å; R493-F495 VanDerWaalsContact C-N 3.27Å; R493-F495 PolarHBondContact O-N 2.88Å; R493-W496 PolarHBondContact O-N 3.49Å; R493-A497 VanDerWaalsContact O-CB 3.3Å; R493-A497 WeakPolarHBondContact O-CB 3.27Å; R493-A497 PolarHBondContact O-N 3.23Å; R493-M567 HydrophobicContact CG-CE 3.91Å; R493-M567 HydrophobicContact CG-SD 3.77Å |
| 494 | R | 82.3 | Confident | 73 | Confident | 154.5 Ų | 154.5 | 77.7 Ų | 77.7 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 178.1 | -175.2 | -179.1 | -175.5 | 163.6 | 3.2 | 113.2 | E27 V490 T491 L492 R499 | E27-R494 VanDerWaalsContact CD-CZ 3.4Å; E27-R494 IonicContact OE1-CZ 2.87Å; E27-R494 IonicContact OE1-NE 2.74Å; E27-R494 IonicContact OE1-NH2 2.71Å; E27-R494 PolarHBondContact OE1-NH2 3.08Å; E27-R494 IonicContact OE2-CZ 2.71Å; E27-R494 IonicContact OE2-NE 3.66Å; E27-R494 PolarHBondContact OE2-NE 2.97Å; E27-R494 IonicContact OE2-NH2 2.72Å; V490-R494 WeakPolarHBondContact O-CB 3.26Å; V490-R494 PolarHBondContact O-N 3.4Å; T491-R494 PolarHBondContact O-N 3.21Å; L492-R494 PolarHBondContact O-N 3.06Å; R494-R499 PolarHBondContact O-NH2 3.1Å |
| 495 | F | 81.5 | Confident | 70.9 | Confident | 36.5 Ų | 36.5 | 81.5 Ų | 81.5 | 16% | 0.16 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -83 | -41.2 | -179.3 | -167.1 | -135.1 | 0 | 0 | 0 | 112 | F28 T491 L492 R493 E531 P532 V598 | F28-F495 HydrophobicContact CD2-CB 3.91Å; F28-F495 HydrophobicContact CD2-CD1 4.45Å; F28-F495 HydrophobicContact CD2-CD2 4.47Å; F28-F495 HydrophobicContact CD2-CG 4.05Å; F28-F495 HydrophobicContact CE2-CB 3.67Å; F28-F495 HydrophobicContact CE2-CD1 4.19Å; F28-F495 HydrophobicContact CE2-CG 4.03Å; T491-F495 WeakPolarHBondContact O-CB 3.34Å; T491-F495 PolarHBondContact O-N 3.14Å; L492-F495 PolarHBondContact O-N 3Å; R493-F495 VanDerWaalsContact C-N 3.27Å; R493-F495 PolarHBondContact O-N 2.88Å; F495-E531 VanDerWaalsContact CE1-C 3.48Å; F495-E531 HydrophobicContact CE1-CB 3.93Å; F495-E531 HydrophobicContact CE2-CB 4.05Å; F495-E531 HydrophobicContact CZ-CB 3.44Å; F495-E531 HydrophobicContact CZ-CG 4.28Å; F495-P532 HydrophobicContact CD1-CB 3.66Å; F495-P532 HydrophobicContact CD1-CG 3.62Å; F495-P532 HydrophobicContact CE1-CB 3.83Å; F495-P532 VanDerWaalsContact CE1-CD 3.47Å; F495-P532 HydrophobicContact CE1-CG 3.92Å; F495-P532 VanDerWaalsContact CE1-N 3.33Å; F495-P532 HydrophobicContact CG-CB 4.17Å; F495-P532 HydrophobicContact CG-CG 4.36Å; F495-P532 HydrophobicContact CZ-CB 4.29Å; F495-V598 HydrophobicContact CE1-CG1 4.36Å |
| 496 | W | 80.7 | Confident | 69.2 | Low | 21.5 Ų | 21.5 | 86.2 Ų | 86.2 | 8% | 0.081 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -89.1 | -6.8 | 179 | -60 | 156.7 | 0 | 0 | 0 | 115.7 | L492 R493 V570 T595 V598 | L492-W496 PolarHBondContact O-N 3.24Å; R493-W496 PolarHBondContact O-N 3.49Å; W496-V570 HydrophobicContact CG-CG2 4.32Å; W496-V570 VanDerWaalsContact NE1-CG2 3.26Å; W496-T595 HydrophobicContact CD2-CG2 4.3Å; W496-T595 HydrophobicContact CE3-CG2 3.84Å; W496-T595 HydrophobicContact CZ3-CG2 3.78Å; W496-V598 HydrophobicContact CH2-CB 3.76Å; W496-V598 HydrophobicContact CH2-CG1 3.57Å; W496-V598 HydrophobicContact CZ2-CB 4.49Å; W496-V598 HydrophobicContact CZ2-CG1 4.13Å |
| 497 | A | 72.6 | Confident | 67.6 | Low | 49.5 Ų | 49.5 | 83.8 Ų | 83.8 | 41% | 0.409 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -56.2 | 132.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R493 R499 | R493-A497 VanDerWaalsContact O-CB 3.3Å; R493-A497 WeakPolarHBondContact O-CB 3.27Å; R493-A497 PolarHBondContact O-N 3.23Å; A497-R499 PolarHBondContact O-N 3.04Å |
| 498 | P | 61.7 | Low | 65.9 | Low | 133.5 Ų | 133.5 | 82.8 Ų | 82.8 | 87% | 0.867 | 44% | 0.441 | S | S | * | . | trans | -60 | 100 | 174 | -24.9 | 35 | 0 | 0 | 0 | 111.7 | ||||
| 499 | R | 57.3 | Low | 64 | Low | 116.5 Ų | 116.5 | 88.6 Ų | 88.6 | 44% | 0.44 | 47% | 0.471 | S | S | . | . | trans | -75.5 | 137.3 | 174.2 | -64.5 | -174.7 | -177 | -165.6 | -3.2 | 109.9 | P24 E27 R494 A497 V501 | P24-R499 PolarHBondContact O-NH1 3.49Å; E27-R499 IonicContact OE2-CZ 3.27Å; E27-R499 IonicContact OE2-NH1 3.42Å; E27-R499 PolarHBondContact OE2-NH1 3.3Å; E27-R499 IonicContact OE2-NH2 3.63Å; E27-R499 PolarHBondContact OE2-NH2 3.42Å; R494-R499 PolarHBondContact O-NH2 3.1Å; A497-R499 PolarHBondContact O-N 3.04Å; R499-V501 PolarHBondContact O-N 2.72Å | ||
| 500 | P | 51.2 | Low | 62.3 | Low | 104 Ų | 104 | 90.5 Ų | 90.5 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | trans | -56.2 | 139.2 | 172.7 | 0.4 | 0.1 | 0 | 0 | 0 | 110.9 | L502 | P500-L502 VanDerWaalsContact C-N 3.26Å; P500-L502 PolarHBondContact O-N 3.11Å | ||
| 501 | V | 52 | Low | 60.7 | Low | 107.5 Ų | 107.5 | 93.1 Ų | 93.1 | 65% | 0.652 | 50% | 0.496 | S | S | * | . | trans | -77.6 | 89.2 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 109 | R499 Y503 | R499-V501 PolarHBondContact O-N 2.72Å; V501-Y503 HydrophobicContact CG1-CD2 4.46Å; V501-Y503 PolarHBondContact O-N 2.79Å | ||
| 502 | L | 47.3 | Very low | 59.5 | Low | 120 Ų | 120 | 98.6 Ų | 98.6 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | trans | -72.6 | 116.8 | 163.4 | -67.9 | 174.8 | 0 | 0 | 0 | 108.6 | P500 S504 | P500-L502 VanDerWaalsContact C-N 3.26Å; P500-L502 PolarHBondContact O-N 3.11Å; L502-S504 PolarHBondContact O-N 3.15Å; L502-S504 VanDerWaalsContact O-N 3.14Å | ||
| 503 | Y | 45.5 | Very low | 58.7 | Low | 176 Ų | 176 | 100.4 Ų | 100.4 | 69% | 0.69 | 54% | 0.536 | S | S | * | . | trans | -74.4 | 85.4 | 167.2 | -111.9 | -88.4 | 0 | 0 | 0 | 108.3 | V501 L509 | V501-Y503 HydrophobicContact CG1-CD2 4.46Å; V501-Y503 PolarHBondContact O-N 2.79Å; Y503-L509 HydrophobicContact CD1-CD2 4.24Å; Y503-L509 HydrophobicContact CE1-CD2 4.03Å | ||
| 504 | S | 48.1 | Very low | 58.3 | Low | 83.5 Ų | 83.5 | 97.3 Ų | 97.3 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | trans | -92.2 | -26.3 | 179.9 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | L502 | L502-S504 PolarHBondContact O-N 3.15Å; L502-S504 VanDerWaalsContact O-N 3.14Å | ||
| 505 | D | 41 | Very low | 58 | Low | 100 Ų | 100 | 93.8 Ų | 93.8 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | trans | -93.4 | 111.6 | -177.4 | -76.7 | -54.3 | 0 | 0 | 0 | 112.7 | G507 S508 | D505-G507 PolarHBondContact O-N 3.14Å; D505-S508 PolarHBondContact O-N 3.12Å; D505-S508 VanDerWaalsContact O-N 3.1Å | ||
| 506 | I | 50.4 | Low | 57.7 | Low | 135.5 Ų | 135.5 | 96.5 Ų | 96.5 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -59.7 | -28.3 | 164.1 | -70.8 | 72.1 | 0 | 0 | 0 | 109.9 | S508 L509 S510 | I506-S508 VanDerWaalsContact C-N 3.28Å; I506-S508 PolarHBondContact O-N 3.37Å; I506-L509 WeakPolarHBondContact O-CB 3.2Å; I506-L509 PolarHBondContact O-N 3.14Å; I506-S510 PolarHBondContact O-N 3.4Å |
| 507 | G | 51.7 | Low | 57.7 | Low | 34 Ų | 34 | 96.3 Ų | 96.3 | 35% | 0.351 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -55.7 | -37.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D505 L509 S510 F511 | D505-G507 PolarHBondContact O-N 3.14Å; G507-L509 PolarHBondContact O-N 3.15Å; G507-L509 VanDerWaalsContact O-N 3.12Å; G507-S510 WeakPolarHBondContact CA-OG 3.23Å; G507-S510 PolarHBondContact O-N 3.21Å; G507-S510 VanDerWaalsContact O-N 3.1Å; G507-S510 PolarHBondContact O-OG 2.98Å; G507-S510 VanDerWaalsContact O-OG 3.08Å; G507-F511 VanDerWaalsContact O-CD2 3.3Å; G507-F511 WeakPolarHBondContact O-CD2 3.45Å; G507-F511 PolarHBondContact O-N 3.14Å |
| 508 | S | 49.1 | Very low | 58.1 | Low | 73 Ų | 73 | 97.1 Ų | 97.1 | 51% | 0.51 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -67.8 | -7.8 | 176 | -56.5 | 0 | 0 | 0 | 0 | 114 | D505 I506 | D505-S508 PolarHBondContact O-N 3.12Å; D505-S508 VanDerWaalsContact O-N 3.1Å; I506-S508 VanDerWaalsContact C-N 3.28Å; I506-S508 PolarHBondContact O-N 3.37Å |
| 509 | L | 47.4 | Very low | 59.1 | Low | 130.5 Ų | 130.5 | 91.5 Ų | 91.5 | 68% | 0.683 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -100 | -11.5 | 172.4 | -56.2 | 176.2 | 0 | 0 | 0 | 112.7 | Y503 I506 G507 | Y503-L509 HydrophobicContact CD1-CD2 4.24Å; Y503-L509 HydrophobicContact CE1-CD2 4.03Å; I506-L509 WeakPolarHBondContact O-CB 3.2Å; I506-L509 PolarHBondContact O-N 3.14Å; G507-L509 PolarHBondContact O-N 3.15Å; G507-L509 VanDerWaalsContact O-N 3.12Å |
| 510 | S | 51.9 | Low | 60.5 | Low | 79 Ų | 79 | 86 Ų | 86 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -16.5 | -178.4 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | I506 G507 | I506-S510 PolarHBondContact O-N 3.4Å; G507-S510 WeakPolarHBondContact CA-OG 3.23Å; G507-S510 PolarHBondContact O-N 3.21Å; G507-S510 VanDerWaalsContact O-N 3.1Å; G507-S510 PolarHBondContact O-OG 2.98Å; G507-S510 VanDerWaalsContact O-OG 3.08Å |
| 511 | F | 50.4 | Low | 62.1 | Low | 133 Ų | 133 | 84.2 Ų | 84.2 | 58% | 0.583 | 46% | 0.462 | S | S | * | . | trans | -100.4 | 119 | 178 | -76.3 | -80.5 | 0 | 0 | 0 | 111.8 | G507 S513 | G507-F511 VanDerWaalsContact O-CD2 3.3Å; G507-F511 WeakPolarHBondContact O-CD2 3.45Å; G507-F511 PolarHBondContact O-N 3.14Å; F511-S513 VanDerWaalsContact C-N 3.32Å; F511-S513 PolarHBondContact O-N 3.28Å | ||
| 512 | N | 57 | Low | 63.7 | Low | 152.5 Ų | 152.5 | 79.8 Ų | 79.8 | 82% | 0.816 | 44% | 0.436 | S | S | * | . | trans | -92.7 | 52.1 | 167.7 | -68.9 | -68 | 0 | 0 | 0 | 110.3 | ||||
| 513 | S | 68.8 | Low | 65.5 | Low | 41 Ų | 41 | 74.3 Ų | 74.3 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | trans | -65.4 | 138.1 | 174 | 18.1 | 0 | 0 | 0 | 0 | 110.4 | F511 T515 E518 | F511-S513 VanDerWaalsContact C-N 3.32Å; F511-S513 PolarHBondContact O-N 3.28Å; S513-T515 PolarHBondContact O-N 3.45Å; S513-E518 WeakPolarHBondContact CB-OE1 3.35Å; S513-E518 PolarHBondContact OG-OE1 3.13Å | ||
| 514 | P | 77 | Confident | 67.4 | Low | 61.5 Ų | 61.5 | 66.4 Ų | 66.4 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | trans | -59.7 | 139.7 | 166.7 | -19 | 30.4 | 0 | 0 | 0 | 109.8 | E516 V517 E518 | P514-E516 WeakPolarHBondContact CB-OE2 3.29Å; P514-E516 PolarHBondContact O-N 3.11Å; P514-E516 VanDerWaalsContact O-N 3.1Å; P514-V517 HydrophobicContact CB-CG2 4.09Å; P514-V517 HydrophobicContact CG-CG2 4.05Å; P514-V517 VanDerWaalsContact O-CB 3.3Å; P514-V517 WeakPolarHBondContact O-CB 3.38Å; P514-V517 PolarHBondContact O-N 3.02Å; P514-E518 PolarHBondContact O-N 3.21Å | ||
| 515 | T | 76.5 | Confident | 69.2 | Low | 81.5 Ų | 81.5 | 69 Ų | 69 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -26.8 | -175.3 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | S513 V517 E518 N519 | S513-T515 PolarHBondContact O-N 3.45Å; T515-V517 VanDerWaalsContact C-N 3.32Å; T515-V517 PolarHBondContact O-N 3.26Å; T515-E518 PolarHBondContact O-N 3.17Å; T515-N519 WeakPolarHBondContact O-CB 3.32Å; T515-N519 PolarHBondContact O-N 3.1Å; T515-N519 PolarHBondContact O-ND2 3.15Å |
| 516 | E | 75 | Confident | 71.3 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 174 | -56.4 | 93.5 | 167.3 | 0 | 0 | 112.9 | P514 N519 F520 T1307 | P514-E516 WeakPolarHBondContact CB-OE2 3.29Å; P514-E516 PolarHBondContact O-N 3.11Å; P514-E516 VanDerWaalsContact O-N 3.1Å; E516-N519 PolarHBondContact O-N 3.36Å; E516-F520 PolarHBondContact O-N 2.97Å; E516-T1307 HydrophobicContact CB-CG2 3.61Å; E516-T1307 HydrophobicContact CG-CG2 3.91Å |
| 517 | V | 80.9 | Confident | 72.8 | Confident | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | P514 T515 N519 F520 H521 E1311 | P514-V517 HydrophobicContact CB-CG2 4.09Å; P514-V517 HydrophobicContact CG-CG2 4.05Å; P514-V517 VanDerWaalsContact O-CB 3.3Å; P514-V517 WeakPolarHBondContact O-CB 3.38Å; P514-V517 PolarHBondContact O-N 3.02Å; T515-V517 VanDerWaalsContact C-N 3.32Å; T515-V517 PolarHBondContact O-N 3.26Å; V517-N519 VanDerWaalsContact C-N 3.33Å; V517-N519 PolarHBondContact O-N 3.09Å; V517-F520 PolarHBondContact O-N 2.94Å; V517-H521 PolarHBondContact O-CD2 2.97Å; V517-H521 VanDerWaalsContact O-CD2 3.29Å; V517-H521 PolarHBondContact O-N 3.38Å; V517-E1311 HydrophobicContact CG1-CG 4.36Å; V517-E1311 WeakPolarHBondContact CG1-OE1 3.28Å; V517-E1311 HydrophobicContact CG2-CG 4.47Å; V517-E1311 WeakPolarHBondContact CG2-OE2 3.41Å |
| 518 | E | 80.2 | Confident | 74.3 | Confident | 67.5 Ų | 67.5 | 62.4 Ų | 62.4 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.2 | -67.1 | 174.3 | -168.9 | 0 | 0 | 111.6 | S513 P514 T515 H521 C522 | S513-E518 WeakPolarHBondContact CB-OE1 3.35Å; S513-E518 PolarHBondContact OG-OE1 3.13Å; P514-E518 PolarHBondContact O-N 3.21Å; T515-E518 PolarHBondContact O-N 3.17Å; E518-H521 PolarHBondContact O-N 3.09Å; E518-C522 VanDerWaalsContact O-CB 3.3Å; E518-C522 WeakPolarHBondContact O-CB 3.45Å; E518-C522 PolarHBondContact O-N 3.32Å; E518-C522 PolarHBondContact O-SG 3.21Å |
| 519 | N | 83.2 | Confident | 75.6 | Confident | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.4 | -67.7 | -49.2 | 0 | 0 | 0 | 111.2 | T515 E516 V517 C522 I523 K593 Y1308 | T515-N519 WeakPolarHBondContact O-CB 3.32Å; T515-N519 PolarHBondContact O-N 3.1Å; T515-N519 PolarHBondContact O-ND2 3.15Å; E516-N519 PolarHBondContact O-N 3.36Å; V517-N519 VanDerWaalsContact C-N 3.33Å; V517-N519 PolarHBondContact O-N 3.09Å; N519-C522 PolarHBondContact O-N 2.83Å; N519-I523 WeakPolarHBondContact O-CG1 3.27Å; N519-I523 PolarHBondContact O-N 3.12Å; N519-K593 PolarHBondContact ND2-NZ 2.94Å; N519-K593 VanDerWaalsContact OD1-CD 3.25Å; N519-K593 WeakPolarHBondContact OD1-CD 3.46Å; N519-K593 PolarHBondContact OD1-NZ 2.99Å; N519-Y1308 HydrophobicContact CB-CE1 4.15Å; N519-Y1308 WeakPolarHBondContact CB-OH 3.37Å |
| 520 | F | 86 | Confident | 77.1 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -53.6 | 175.8 | 173.9 | -92.2 | 0 | 0 | 0 | 111.2 | E516 V517 C522 I523 L524 V1128 F1131 Y1308 E1311 | E516-F520 PolarHBondContact O-N 2.97Å; V517-F520 PolarHBondContact O-N 2.94Å; F520-C522 VanDerWaalsContact C-N 3.29Å; F520-C522 PolarHBondContact O-N 3Å; F520-I523 PolarHBondContact O-N 2.9Å; F520-L524 HydrophobicContact CE1-CD2 4.03Å; F520-L524 HydrophobicContact CZ-CD2 4.47Å; F520-L524 VanDerWaalsContact O-CB 3.29Å; F520-L524 WeakPolarHBondContact O-CB 3.28Å; F520-L524 PolarHBondContact O-N 3.15Å; F520-V1128 HydrophobicContact CD2-CG2 4.01Å; F520-V1128 HydrophobicContact CE2-CG2 3.99Å; F520-F1131 HydrophobicContact CZ-CD1 4.28Å; F520-F1131 HydrophobicContact CZ-CD2 4.49Å; F520-F1131 HydrophobicContact CZ-CE1 4.1Å; F520-F1131 HydrophobicContact CZ-CE2 4.34Å; F520-F1131 HydrophobicContact CZ-CG 4.46Å; F520-F1131 HydrophobicContact CZ-CZ 4.13Å; F520-Y1308 HydrophobicContact CB-CD1 3.8Å; F520-Y1308 HydrophobicContact CB-CE1 4.07Å; F520-Y1308 AromaticContact CD2-CD1 3.84Å; F520-Y1308 HydrophobicContact CD2-CD1 3.84Å; F520-Y1308 HydrophobicContact CD2-CG 4.4Å; F520-Y1308 WeakPolarHBondContact CE2-O 3.31Å; F520-Y1308 HydrophobicContact CG-CD1 4.32Å; F520-E1311 HydrophobicContact CB-CB 4.45Å; F520-E1311 HydrophobicContact CB-CG 4.19Å; F520-E1311 HydrophobicContact CD1-CB 4.42Å; F520-E1311 HydrophobicContact CD1-CG 3.91Å; F520-E1311 HydrophobicContact CD2-CB 4.29Å; F520-E1311 HydrophobicContact CE1-CG 4.49Å; F520-E1311 HydrophobicContact CG-CB 4.14Å; F520-E1311 HydrophobicContact CG-CG 4Å |
| 521 | H | 85.1 | Confident | 78.2 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.4 | -30.2 | 179.6 | -73.5 | -61 | 0 | 0 | 0 | 113.4 | V517 E518 R525 | V517-H521 PolarHBondContact O-CD2 2.97Å; V517-H521 VanDerWaalsContact O-CD2 3.29Å; V517-H521 PolarHBondContact O-N 3.38Å; E518-H521 PolarHBondContact O-N 3.09Å; H521-R525 VanDerWaalsContact O-CB 3.24Å; H521-R525 WeakPolarHBondContact O-CB 3.42Å; H521-R525 PolarHBondContact O-N 3.22Å |
| 522 | C | 84.4 | Confident | 79.7 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 10% | 0.095 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.9 | -33.2 | 178.1 | -68.1 | 0 | 0 | 0 | 0 | 113.2 | E518 N519 F520 S526 V590 | E518-C522 VanDerWaalsContact O-CB 3.3Å; E518-C522 WeakPolarHBondContact O-CB 3.45Å; E518-C522 PolarHBondContact O-N 3.32Å; E518-C522 PolarHBondContact O-SG 3.21Å; N519-C522 PolarHBondContact O-N 2.83Å; F520-C522 VanDerWaalsContact C-N 3.29Å; F520-C522 PolarHBondContact O-N 3Å; C522-S526 WeakPolarHBondContact O-CB 3.42Å; C522-S526 PolarHBondContact O-N 3.23Å; C522-V590 HydrophobicContact CB-CG1 3.75Å; C522-V590 WeakPolarHBondContact SG-CG1 3.35Å |
| 523 | I | 86 | Confident | 80.8 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 167 | -60.5 | 178.2 | 0 | 0 | 0 | 109.6 | N519 F520 R525 S526 Y527 F584 W601 P1124 L1125 V1128 Y1308 | N519-I523 WeakPolarHBondContact O-CG1 3.27Å; N519-I523 PolarHBondContact O-N 3.12Å; F520-I523 PolarHBondContact O-N 2.9Å; I523-R525 PolarHBondContact O-N 3.07Å; I523-S526 WeakPolarHBondContact O-CB 3.46Å; I523-S526 PolarHBondContact O-N 2.94Å; I523-S526 VanDerWaalsContact O-N 3.14Å; I523-S526 PolarHBondContact O-OG 3.01Å; I523-Y527 PolarHBondContact O-N 3.08Å; I523-Y527 VanDerWaalsContact O-N 3.11Å; I523-F584 HydrophobicContact CD1-CD2 4.49Å; I523-F584 HydrophobicContact CD1-CE2 3.9Å; I523-F584 HydrophobicContact CD1-CZ 4.31Å; I523-W601 HydrophobicContact CG2-CZ2 4.31Å; I523-P1124 HydrophobicContact CD1-CB 3.69Å; I523-L1125 HydrophobicContact CG2-CD2 3.87Å; I523-V1128 HydrophobicContact CB-CG2 4.23Å; I523-V1128 HydrophobicContact CG2-CB 3.95Å; I523-V1128 HydrophobicContact CG2-CG1 3.99Å; I523-V1128 HydrophobicContact CG2-CG2 3.92Å; I523-Y1308 HydrophobicContact CD1-CE1 3.83Å |
| 524 | L | 86.4 | Confident | 81.4 | Confident | 11.5 Ų | 11.5 | 50.7 Ų | 50.7 | 6% | 0.06 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 176.4 | -173.1 | 66.2 | 0 | 0 | 0 | 112.5 | F520 Y527 R528 V1128 F1131 V1132 | F520-L524 HydrophobicContact CE1-CD2 4.03Å; F520-L524 HydrophobicContact CZ-CD2 4.47Å; F520-L524 VanDerWaalsContact O-CB 3.29Å; F520-L524 WeakPolarHBondContact O-CB 3.28Å; F520-L524 PolarHBondContact O-N 3.15Å; L524-Y527 PolarHBondContact O-N 3.42Å; L524-R528 WeakPolarHBondContact O-CB 3.43Å; L524-R528 WeakPolarHBondContact O-CG 3.26Å; L524-R528 PolarHBondContact O-N 3.17Å; L524-R528 VanDerWaalsContact O-N 3.16Å; L524-V1128 HydrophobicContact CB-CG1 4.25Å; L524-V1128 HydrophobicContact CD1-CG1 3.89Å; L524-F1131 HydrophobicContact CD1-CD1 3.66Å; L524-F1131 HydrophobicContact CD1-CE1 3.68Å; L524-F1131 HydrophobicContact CD2-CE1 3.86Å; L524-F1131 HydrophobicContact CG-CE1 4.45Å; L524-V1132 HydrophobicContact CD1-CG2 3.52Å |
| 525 | R | 85 | Confident | 82 | Confident | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 173.9 | -173.1 | 178.5 | -73.7 | 125.5 | -6.1 | 111.4 | H521 I523 Y527 R528 A529 | H521-R525 VanDerWaalsContact O-CB 3.24Å; H521-R525 WeakPolarHBondContact O-CB 3.42Å; H521-R525 PolarHBondContact O-N 3.22Å; I523-R525 PolarHBondContact O-N 3.07Å; R525-Y527 VanDerWaalsContact C-N 3.26Å; R525-Y527 PolarHBondContact O-N 3.35Å; R525-R528 PolarHBondContact O-N 2.9Å; R525-A529 HydrophobicContact CG-CB 4.39Å; R525-A529 VanDerWaalsContact O-CB 3.24Å; R525-A529 WeakPolarHBondContact O-CB 3.47Å; R525-A529 PolarHBondContact O-N 2.95Å |
| 526 | S | 84.7 | Confident | 82.6 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -36.2 | 176.1 | 79.8 | 0 | 0 | 0 | 0 | 113.1 | C522 I523 C597 W601 | C522-S526 WeakPolarHBondContact O-CB 3.42Å; C522-S526 PolarHBondContact O-N 3.23Å; I523-S526 WeakPolarHBondContact O-CB 3.46Å; I523-S526 PolarHBondContact O-N 2.94Å; I523-S526 VanDerWaalsContact O-N 3.14Å; I523-S526 PolarHBondContact O-OG 3.01Å; S526-C597 WeakPolarHBondContact OG-CB 3.25Å; S526-W601 PolarHBondContact OG-NE1 3.29Å |
| 527 | Y | 83.3 | Confident | 83.2 | Confident | 42.5 Ų | 42.5 | 43.1 Ų | 43.1 | 17% | 0.167 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -78.5 | -32.5 | 179.1 | -166.4 | -85.3 | 0 | 0 | 0 | 112.6 | I523 L524 R525 N530 W601 K1129 V1132 | I523-Y527 PolarHBondContact O-N 3.08Å; I523-Y527 VanDerWaalsContact O-N 3.11Å; L524-Y527 PolarHBondContact O-N 3.42Å; R525-Y527 VanDerWaalsContact C-N 3.26Å; R525-Y527 PolarHBondContact O-N 3.35Å; Y527-N530 PolarHBondContact O-OD1 2.93Å; Y527-W601 AromaticContact CD2-CD2 3.67Å; Y527-W601 HydrophobicContact CD2-CD2 3.67Å; Y527-W601 AromaticContact CD2-CE2 3.55Å; Y527-W601 AromaticContact CD2-CE3 3.89Å; Y527-W601 HydrophobicContact CD2-CE3 3.96Å; Y527-W601 HydrophobicContact CD2-CG 4.17Å; Y527-W601 HydrophobicContact CD2-CH2 4.01Å; Y527-W601 AromaticContact CD2-CZ2 3.72Å; Y527-W601 HydrophobicContact CD2-CZ2 3.72Å; Y527-W601 HydrophobicContact CD2-CZ3 4.14Å; Y527-W601 AromaticContact CD2-NE1 3.98Å; Y527-W601 HydrophobicContact CE2-CD2 4.17Å; Y527-W601 AromaticContact CE2-CE3 3.99Å; Y527-W601 HydrophobicContact CE2-CE3 4.02Å; Y527-W601 HydrophobicContact CE2-CH2 4.34Å; Y527-W601 HydrophobicContact CE2-CZ2 4.43Å; Y527-W601 HydrophobicContact CE2-CZ3 4.13Å; Y527-K1129 HydrophobicContact CE2-CB 4.23Å; Y527-K1129 HydrophobicContact CE2-CD 4.17Å; Y527-K1129 HydrophobicContact CE2-CG 4.03Å; Y527-V1132 HydrophobicContact CD1-CB 4.04Å; Y527-V1132 HydrophobicContact CD1-CG1 3.75Å; Y527-V1132 HydrophobicContact CD1-CG2 3.94Å; Y527-V1132 HydrophobicContact CE1-CB 4.01Å; Y527-V1132 HydrophobicContact CE1-CG1 3.6Å; Y527-V1132 HydrophobicContact CE1-CG2 4.42Å; Y527-V1132 HydrophobicContact CG-CG2 4.47Å |
| 528 | R | 82.5 | Confident | 83.7 | Confident | 84.5 Ų | 84.5 | 43 Ų | 43 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -95.8 | -28.2 | -171.6 | -70.2 | 178 | 176.6 | -165.5 | -5.2 | 115.4 | L524 R525 N530 V1132 T1238 | L524-R528 WeakPolarHBondContact O-CB 3.43Å; L524-R528 WeakPolarHBondContact O-CG 3.26Å; L524-R528 PolarHBondContact O-N 3.17Å; L524-R528 VanDerWaalsContact O-N 3.16Å; R525-R528 PolarHBondContact O-N 2.9Å; R528-N530 PolarHBondContact O-N 3.04Å; R528-V1132 HydrophobicContact CG-CG2 4.4Å; R528-T1238 PolarHBondContact NH1-O 3.02Å; R528-T1238 PolarHBondContact NH2-O 3.08Å |
| 529 | A | 75.9 | Confident | 84.3 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -71.3 | -18.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R525 E531 R533 | R525-A529 HydrophobicContact CG-CB 4.39Å; R525-A529 VanDerWaalsContact O-CB 3.24Å; R525-A529 WeakPolarHBondContact O-CB 3.47Å; R525-A529 PolarHBondContact O-N 2.95Å; A529-E531 VanDerWaalsContact C-N 3.26Å; A529-E531 HydrophobicContact CB-CG 3.72Å; A529-E531 PolarHBondContact O-N 3.14Å; A529-R533 PolarHBondContact O-NH2 3.19Å |
| 530 | N | 78.5 | Confident | 84.6 | Confident | 70.5 Ų | 70.5 | 42.7 Ų | 42.7 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | trans | 47.7 | 49.3 | -174.9 | -66.6 | -2.5 | 0 | 0 | 0 | 111.2 | Y527 R528 P532 R533 W536 | Y527-N530 PolarHBondContact O-OD1 2.93Å; R528-N530 PolarHBondContact O-N 3.04Å; N530-P532 CarbonylContact O-C 3.34Å; N530-R533 WeakPolarHBondContact O-CA 3.38Å; N530-R533 PolarHBondContact O-N 3.23Å; N530-W536 HydrophobicContact CB-CB 4.13Å; N530-W536 HydrophobicContact CB-CD2 4.26Å; N530-W536 HydrophobicContact CB-CG 3.88Å | ||
| 531 | E | 74.9 | Confident | 84.7 | Confident | 50.5 Ų | 50.5 | 45.4 Ų | 45.4 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -89.1 | 143.6 | 175.3 | -55.6 | 179.3 | 134.2 | 0 | 0 | 109.7 | S25 F495 A529 W536 Q594 V598 | S25-E531 WeakPolarHBondContact CB-OE1 3.37Å; S25-E531 PolarHBondContact OG-OE1 3.4Å; F495-E531 VanDerWaalsContact CE1-C 3.48Å; F495-E531 HydrophobicContact CE1-CB 3.93Å; F495-E531 HydrophobicContact CE2-CB 4.05Å; F495-E531 HydrophobicContact CZ-CB 3.44Å; F495-E531 HydrophobicContact CZ-CG 4.28Å; A529-E531 VanDerWaalsContact C-N 3.26Å; A529-E531 HydrophobicContact CB-CG 3.72Å; A529-E531 PolarHBondContact O-N 3.14Å; E531-W536 PolarHBondContact O-NE1 3.17Å; E531-Q594 PolarHBondContact OE2-NE2 3.21Å; E531-V598 WeakPolarHBondContact O-CG1 3.36Å |
| 532 | P | 82.1 | Confident | 85.1 | Confident | 8.5 Ų | 8.5 | 42.2 Ų | 42.2 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | S | Bend | cis | -77.4 | 128 | -8.8 | 28.5 | -23 | 0 | 0 | 0 | 110.3 | F28 F495 N530 G534 L535 W536 | F28-P532 HydrophobicContact CB-CB 4.41Å; F28-P532 HydrophobicContact CD1-CB 3.94Å; F28-P532 HydrophobicContact CD2-CB 3.25Å; F28-P532 HydrophobicContact CD2-CG 4.02Å; F28-P532 HydrophobicContact CE1-CB 3.94Å; F28-P532 HydrophobicContact CE1-CG 4.12Å; F28-P532 HydrophobicContact CE2-CB 3.28Å; F28-P532 HydrophobicContact CE2-CG 3.48Å; F28-P532 VanDerWaalsContact CE2-CG 3.48Å; F28-P532 HydrophobicContact CG-CB 3.61Å; F28-P532 HydrophobicContact CZ-CB 3.64Å; F28-P532 HydrophobicContact CZ-CG 3.54Å; F495-P532 HydrophobicContact CD1-CB 3.66Å; F495-P532 HydrophobicContact CD1-CG 3.62Å; F495-P532 HydrophobicContact CE1-CB 3.83Å; F495-P532 VanDerWaalsContact CE1-CD 3.47Å; F495-P532 HydrophobicContact CE1-CG 3.92Å; F495-P532 VanDerWaalsContact CE1-N 3.33Å; F495-P532 HydrophobicContact CG-CB 4.17Å; F495-P532 HydrophobicContact CG-CG 4.36Å; F495-P532 HydrophobicContact CZ-CB 4.29Å; N530-P532 CarbonylContact O-C 3.34Å; P532-G534 PolarHBondContact O-N 3.28Å; P532-L535 HydrophobicContact CG-CB 3.86Å; P532-L535 HydrophobicContact CG-CD2 4.06Å; P532-L535 WeakPolarHBondContact O-CB 3.38Å; P532-L535 PolarHBondContact O-N 2.95Å; P532-W536 PolarHBondContact O-N 2.82Å |
| 533 | R | 80.5 | Confident | 85.4 | Confident | 178 Ų | 178 | 45.4 Ų | 45.4 | 67% | 0.672 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.1 | -36.5 | -165.9 | -173.4 | 166.6 | -69.3 | -117.1 | -6.6 | 114.9 | A529 N530 L535 W536 A537 | A529-R533 PolarHBondContact O-NH2 3.19Å; N530-R533 WeakPolarHBondContact O-CA 3.38Å; N530-R533 PolarHBondContact O-N 3.23Å; R533-L535 VanDerWaalsContact C-N 3.3Å; R533-L535 PolarHBondContact O-N 3.16Å; R533-W536 PolarHBondContact O-N 3.38Å; R533-A537 WeakPolarHBondContact O-CB 3.19Å; R533-A537 PolarHBondContact O-N 3.13Å |
| 534 | G | 82.1 | Confident | 85.4 | Confident | 32.5 Ų | 32.5 | 48.1 Ų | 48.1 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -34.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L30 F32 P532 A537 L538 | L30-G534 WeakPolarHBondContact O-CA 3.37Å; F32-G534 VanDerWaalsContact CD2-O 3.31Å; F32-G534 WeakPolarHBondContact CD2-O 3.48Å; P532-G534 PolarHBondContact O-N 3.28Å; G534-A537 PolarHBondContact O-N 3.43Å; G534-L538 WeakPolarHBondContact O-CB 3.24Å; G534-L538 PolarHBondContact O-N 3.14Å; G534-L538 VanDerWaalsContact O-N 3.1Å |
| 535 | L | 89.1 | Confident | 85.4 | Confident | 3.5 Ų | 3.5 | 48.4 Ų | 48.4 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.2 | -42.2 | 178.6 | -175.6 | 58.9 | 0 | 0 | 0 | 111.8 | F28 L488 L492 P532 R533 A537 L538 L539 V560 I564 L602 | F28-L535 HydrophobicContact CE1-CB 4.44Å; L488-L535 HydrophobicContact CD2-CD1 4.09Å; L492-L535 HydrophobicContact CD2-CD2 3.86Å; P532-L535 HydrophobicContact CG-CB 3.86Å; P532-L535 HydrophobicContact CG-CD2 4.06Å; P532-L535 WeakPolarHBondContact O-CB 3.38Å; P532-L535 PolarHBondContact O-N 2.95Å; R533-L535 VanDerWaalsContact C-N 3.3Å; R533-L535 PolarHBondContact O-N 3.16Å; L535-A537 VanDerWaalsContact C-N 3.3Å; L535-A537 PolarHBondContact O-N 3.15Å; L535-L538 HydrophobicContact CD1-CD2 4.43Å; L535-L538 CarbonylContact O-C 3.6Å; L535-L538 WeakPolarHBondContact O-CA 3.38Å; L535-L538 WeakPolarHBondContact O-CB 3.33Å; L535-L538 PolarHBondContact O-N 3.06Å; L535-L539 WeakPolarHBondContact O-CG 3.41Å; L535-L539 PolarHBondContact O-N 3.15Å; L535-V560 HydrophobicContact CD1-CG1 3.91Å; L535-V560 HydrophobicContact CD1-CG2 4.38Å; L535-I564 HydrophobicContact CD2-CD1 4.22Å; L535-L602 HydrophobicContact CD2-CD1 3.65Å; L535-L602 HydrophobicContact CD2-CD2 3.64Å; L535-L602 HydrophobicContact CD2-CG 4.28Å; L535-L602 HydrophobicContact CG-CD1 4.04Å |
| 536 | W | 88.2 | Confident | 85.6 | Confident | 44.5 Ų | 44.5 | 42.1 Ų | 42.1 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.5 | -73.7 | 95.1 | 0 | 0 | 0 | 112.3 | N530 E531 P532 R533 L538 L539 S540 W601 L602 E605 | N530-W536 HydrophobicContact CB-CB 4.13Å; N530-W536 HydrophobicContact CB-CD2 4.26Å; N530-W536 HydrophobicContact CB-CG 3.88Å; E531-W536 PolarHBondContact O-NE1 3.17Å; P532-W536 PolarHBondContact O-N 2.82Å; R533-W536 PolarHBondContact O-N 3.38Å; W536-L538 VanDerWaalsContact C-N 3.34Å; W536-L539 PolarHBondContact O-N 3.47Å; W536-S540 PolarHBondContact O-N 2.92Å; W536-W601 HydrophobicContact CH2-CB 4.46Å; W536-W601 HydrophobicContact CZ2-CB 4.39Å; W536-L602 HydrophobicContact CZ2-CB 4.42Å; W536-E605 HydrophobicContact CH2-CB 4.29Å; W536-E605 HydrophobicContact CH2-CG 3.97Å; W536-E605 HydrophobicContact CZ3-CB 4.17Å; W536-E605 HydrophobicContact CZ3-CG 3.83Å |
| 537 | A | 88.7 | Confident | 85.8 | Confident | 28.5 Ų | 28.5 | 46.2 Ų | 46.2 | 24% | 0.236 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F32 R533 G534 L535 L539 S540 F541 | F32-A537 HydrophobicContact CB-CB 3.68Å; R533-A537 WeakPolarHBondContact O-CB 3.19Å; R533-A537 PolarHBondContact O-N 3.13Å; G534-A537 PolarHBondContact O-N 3.43Å; L535-A537 VanDerWaalsContact C-N 3.3Å; L535-A537 PolarHBondContact O-N 3.15Å; A537-L539 PolarHBondContact O-N 3.49Å; A537-S540 CarbonylContact O-C 3.53Å; A537-S540 WeakPolarHBondContact O-CA 3.24Å; A537-S540 WeakPolarHBondContact O-CB 3.36Å; A537-S540 PolarHBondContact O-N 3.4Å; A537-S540 VanDerWaalsContact O-N 3.09Å; A537-F541 WeakPolarHBondContact O-CD2 3.48Å; A537-F541 WeakPolarHBondContact O-CG 3.16Å; A537-F541 PolarHBondContact O-N 3.03Å |
| 538 | L | 90.4 | Very high | 85.8 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 174.9 | -178.7 | 59.6 | 0 | 0 | 0 | 112.4 | F32 L109 L484 L488 G534 L535 W536 S540 F541 I542 V560 | F32-L538 HydrophobicContact CD2-CB 4.43Å; F32-L538 HydrophobicContact CE2-CB 4.17Å; F32-L538 HydrophobicContact CZ-CD1 4.46Å; L109-L538 HydrophobicContact CD2-CD1 3.48Å; L109-L538 VanDerWaalsContact CD2-CD1 3.48Å; L484-L538 HydrophobicContact CD2-CD2 4.41Å; L488-L538 HydrophobicContact CD1-CD2 4.2Å; L488-L538 HydrophobicContact CD2-CD2 4.07Å; G534-L538 WeakPolarHBondContact O-CB 3.24Å; G534-L538 PolarHBondContact O-N 3.14Å; G534-L538 VanDerWaalsContact O-N 3.1Å; L535-L538 HydrophobicContact CD1-CD2 4.43Å; L535-L538 CarbonylContact O-C 3.6Å; L535-L538 WeakPolarHBondContact O-CA 3.38Å; L535-L538 WeakPolarHBondContact O-CB 3.33Å; L535-L538 PolarHBondContact O-N 3.06Å; W536-L538 VanDerWaalsContact C-N 3.34Å; L538-S540 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.29Å; L538-F541 PolarHBondContact O-N 3.26Å; L538-I542 HydrophobicContact CG-CD1 4.27Å; L538-I542 WeakPolarHBondContact O-CG1 3.33Å; L538-I542 PolarHBondContact O-N 3.42Å; L538-V560 HydrophobicContact CD2-CG2 3.54Å; L538-V560 VanDerWaalsContact CD2-CG2 3.5Å; L538-V560 HydrophobicContact CG-CG2 4.26Å |
| 539 | L | 92.5 | Very high | 85.8 | Confident | 7.5 Ų | 7.5 | 50.9 Ų | 50.9 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 172.9 | -65.3 | -171.9 | 0 | 0 | 0 | 112.1 | L535 W536 A537 I542 R543 V560 L602 I606 L609 | L535-L539 WeakPolarHBondContact O-CG 3.41Å; L535-L539 PolarHBondContact O-N 3.15Å; W536-L539 PolarHBondContact O-N 3.47Å; A537-L539 PolarHBondContact O-N 3.49Å; L539-I542 HydrophobicContact CD2-CD1 4.2Å; L539-I542 PolarHBondContact O-N 2.94Å; L539-R543 PolarHBondContact O-N 3.21Å; L539-R543 VanDerWaalsContact O-N 3.1Å; L539-V560 HydrophobicContact CD2-CG1 4.08Å; L539-L602 HydrophobicContact CD1-CD1 3.86Å; L539-I606 HydrophobicContact CD1-CG1 4.19Å; L539-I606 HydrophobicContact CD2-CG1 4.15Å; L539-L609 HydrophobicContact CB-CD1 4.05Å; L539-L609 HydrophobicContact CD1-CD1 4.49Å; L539-L609 HydrophobicContact CD2-CD1 3.87Å; L539-L609 HydrophobicContact CG-CD1 4.36Å |
| 540 | S | 89.8 | Confident | 86.1 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 49% | 0.49 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 172.7 | -168.7 | 0 | 0 | 0 | 0 | 112.2 | W536 A537 L538 R543 D544 | W536-S540 PolarHBondContact O-N 2.92Å; A537-S540 CarbonylContact O-C 3.53Å; A537-S540 WeakPolarHBondContact O-CA 3.24Å; A537-S540 WeakPolarHBondContact O-CB 3.36Å; A537-S540 PolarHBondContact O-N 3.4Å; A537-S540 VanDerWaalsContact O-N 3.09Å; L538-S540 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.29Å; S540-R543 PolarHBondContact O-N 3.06Å; S540-D544 PolarHBondContact O-N 3.11Å; S540-D544 VanDerWaalsContact O-N 3.08Å |
| 541 | F | 89.2 | Confident | 86.1 | Confident | 56.5 Ų | 56.5 | 51.3 Ų | 51.3 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 174.1 | -71.7 | -48.8 | 0 | 0 | 0 | 111.8 | F32 F34 W104 L105 A537 L538 R543 D544 M545 K1049 | F32-F541 HydrophobicContact CB-CE2 3.86Å; F32-F541 HydrophobicContact CD1-CD2 4.32Å; F32-F541 AromaticContact CD1-CE2 3.79Å; F32-F541 HydrophobicContact CD1-CE2 3.79Å; F32-F541 HydrophobicContact CG-CE2 4.04Å; F34-F541 AromaticContact CD2-CE1 3.89Å; F34-F541 HydrophobicContact CD2-CE1 3.89Å; F34-F541 HydrophobicContact CD2-CZ 4.26Å; F34-F541 HydrophobicContact CE2-CE1 4.02Å; W104-F541 AromaticContact CH2-CZ 3.88Å; W104-F541 HydrophobicContact CH2-CZ 3.88Å; W104-F541 HydrophobicContact CZ3-CE1 4.17Å; W104-F541 AromaticContact CZ3-CZ 3.65Å; W104-F541 HydrophobicContact CZ3-CZ 3.65Å; L105-F541 HydrophobicContact CD1-CB 4.16Å; L105-F541 HydrophobicContact CD1-CD1 3.74Å; L105-F541 HydrophobicContact CD1-CD2 3.78Å; L105-F541 HydrophobicContact CD1-CE1 4.03Å; L105-F541 HydrophobicContact CD1-CE2 4.03Å; L105-F541 HydrophobicContact CD1-CG 3.64Å; L105-F541 HydrophobicContact CD1-CZ 4.18Å; A537-F541 WeakPolarHBondContact O-CD2 3.48Å; A537-F541 WeakPolarHBondContact O-CG 3.16Å; A537-F541 PolarHBondContact O-N 3.03Å; L538-F541 PolarHBondContact O-N 3.26Å; F541-R543 VanDerWaalsContact C-N 3.33Å; F541-R543 PolarHBondContact O-N 2.89Å; F541-D544 PolarHBondContact O-N 3.14Å; F541-M545 WeakPolarHBondContact O-CB 3.41Å; F541-M545 WeakPolarHBondContact O-CG 3.45Å; F541-M545 PolarHBondContact O-N 3.35Å; F541-K1049 HydrophobicContact CE1-CD 4.44Å |
| 542 | I | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -44.5 | 173.5 | -73 | 163.4 | 0 | 0 | 0 | 110.7 | L538 L539 D544 M545 M546 L556 L557 V560 L609 | L538-I542 HydrophobicContact CG-CD1 4.27Å; L538-I542 WeakPolarHBondContact O-CG1 3.33Å; L538-I542 PolarHBondContact O-N 3.42Å; L539-I542 HydrophobicContact CD2-CD1 4.2Å; L539-I542 PolarHBondContact O-N 2.94Å; I542-D544 PolarHBondContact O-N 2.99Å; I542-M545 PolarHBondContact O-N 3.19Å; I542-M546 HydrophobicContact CG2-SD 4.1Å; I542-M546 VanDerWaalsContact O-CG 3.25Å; I542-M546 WeakPolarHBondContact O-CG 3.36Å; I542-M546 PolarHBondContact O-N 3.13Å; I542-L556 HydrophobicContact CD1-CB 3.93Å; I542-L556 HydrophobicContact CG1-CB 3.81Å; I542-L556 HydrophobicContact CG1-CD1 4.44Å; I542-L557 HydrophobicContact CD1-CB 4.4Å; I542-L557 HydrophobicContact CG2-CB 4.22Å; I542-V560 HydrophobicContact CD1-CG2 4.38Å; I542-L609 HydrophobicContact CG2-CD1 4.44Å |
| 543 | R | 90.5 | Very high | 86.8 | Confident | 81.5 Ų | 81.5 | 49.6 Ų | 49.6 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.1 | -163.5 | -178.7 | -72.1 | -124.5 | 5.5 | 112.6 | L539 S540 F541 K547 E605 Q608 L609 | L539-R543 PolarHBondContact O-N 3.21Å; L539-R543 VanDerWaalsContact O-N 3.1Å; S540-R543 PolarHBondContact O-N 3.06Å; F541-R543 VanDerWaalsContact C-N 3.33Å; F541-R543 PolarHBondContact O-N 2.89Å; R543-K547 PolarHBondContact O-N 2.93Å; R543-K547 VanDerWaalsContact O-N 3.08Å; R543-E605 IonicContact CZ-OE2 3.77Å; R543-E605 IonicContact NH2-OE2 2.94Å; R543-E605 PolarHBondContact NH2-OE2 3.14Å; R543-Q608 VanDerWaalsContact NH2-OE1 3.11Å; R543-L609 HydrophobicContact CB-CD2 4.05Å; R543-L609 HydrophobicContact CG-CD2 4.2Å |
| 544 | D | 86.7 | Confident | 87.2 | Confident | 61.5 Ų | 61.5 | 42.5 Ų | 42.5 | 33% | 0.329 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.8 | -33.8 | 174.8 | -118.7 | 17.2 | 0 | 0 | 0 | 112.7 | S540 F541 I542 K547 R548 | S540-D544 PolarHBondContact O-N 3.11Å; S540-D544 VanDerWaalsContact O-N 3.08Å; F541-D544 PolarHBondContact O-N 3.14Å; I542-D544 PolarHBondContact O-N 2.99Å; D544-K547 CarbonylContact O-C 3.43Å; D544-K547 WeakPolarHBondContact O-CA 3.44Å; D544-K547 WeakPolarHBondContact O-CB 3.47Å; D544-K547 PolarHBondContact O-N 3.19Å; D544-K547 VanDerWaalsContact O-N 3.12Å; D544-R548 WeakPolarHBondContact O-CD 3.16Å; D544-R548 VanDerWaalsContact O-CG 3.25Å; D544-R548 WeakPolarHBondContact O-CG 3.37Å; D544-R548 PolarHBondContact O-N 3.18Å; D544-R548 VanDerWaalsContact O-N 3.12Å; D544-R548 IonicContact OD2-CZ 3.48Å; D544-R548 VanDerWaalsContact OD2-CZ 3.26Å; D544-R548 IonicContact OD2-NE 2.75Å; D544-R548 PolarHBondContact OD2-NE 3.25Å; D544-R548 IonicContact OD2-NH2 3.58Å; D544-R548 PolarHBondContact OD2-NH2 2.87Å |
| 545 | M | 87 | Confident | 87.5 | Confident | 16.5 Ų | 16.5 | 43.4 Ų | 43.4 | 8% | 0.081 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 174.8 | -72.2 | 170.9 | 81 | 0 | 0 | 111.1 | L105 Y106 L109 F541 I542 K547 R548 Q549 D550 N552 L556 | L105-M545 HydrophobicContact CD2-CG 4.32Å; L105-M545 HydrophobicContact CD2-SD 4.47Å; Y106-M545 HydrophobicContact CE1-CE 4.46Å; Y106-M545 WeakPolarHBondContact OH-CE 3.42Å; L109-M545 HydrophobicContact CD1-CE 4.3Å; L109-M545 HydrophobicContact CD1-SD 4.16Å; F541-M545 WeakPolarHBondContact O-CB 3.41Å; F541-M545 WeakPolarHBondContact O-CG 3.45Å; F541-M545 PolarHBondContact O-N 3.35Å; I542-M545 PolarHBondContact O-N 3.19Å; M545-K547 VanDerWaalsContact C-N 3.29Å; M545-K547 PolarHBondContact O-N 3.37Å; M545-R548 CarbonylContact O-C 3.55Å; M545-R548 WeakPolarHBondContact O-CA 3.22Å; M545-R548 PolarHBondContact O-N 3.26Å; M545-R548 VanDerWaalsContact O-N 3.11Å; M545-Q549 PolarHBondContact O-N 3.1Å; M545-Q549 VanDerWaalsContact O-N 3.15Å; M545-D550 HydrophobicContact CB-CB 4.1Å; M545-D550 VanDerWaalsContact CE-OD2 3.23Å; M545-D550 WeakPolarHBondContact CE-OD2 3.42Å; M545-D550 HydrophobicContact CG-CB 4.49Å; M545-D550 WeakPolarHBondContact O-CB 3.02Å; M545-D550 PolarHBondContact O-N 3.14Å; M545-N552 HydrophobicContact CE-CB 3.54Å; M545-N552 VanDerWaalsContact CE-CB 3.46Å; M545-L556 HydrophobicContact CE-CD1 3.72Å; M545-L556 HydrophobicContact SD-CD1 3.62Å; M545-L556 VanDerWaalsContact SD-CD1 3.56Å |
| 546 | M | 89.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -41.7 | 170.6 | -68.5 | 168.4 | 67.8 | 0 | 0 | 111.5 | I542 R548 Q549 L609 L612 A613 T842 | I542-M546 HydrophobicContact CG2-SD 4.1Å; I542-M546 VanDerWaalsContact O-CG 3.25Å; I542-M546 WeakPolarHBondContact O-CG 3.36Å; I542-M546 PolarHBondContact O-N 3.13Å; M546-R548 PolarHBondContact O-N 2.94Å; M546-Q549 PolarHBondContact O-N 2.93Å; M546-L609 HydrophobicContact SD-CD2 4.39Å; M546-L612 HydrophobicContact CE-CB 3.95Å; M546-A613 HydrophobicContact CE-CB 3.89Å; M546-T842 CarbonylContact C-O 3.42Å; M546-T842 HydrophobicContact CB-CG2 4.38Å; M546-T842 HydrophobicContact CE-CG2 3.91Å |
| 547 | K | 88.1 | Confident | 87.8 | Confident | 89 Ų | 89 | 41.5 Ų | 41.5 | 39% | 0.387 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.3 | -27 | 177.1 | -168.7 | -175.4 | 175 | -169.2 | 0 | 113.7 | R543 D544 M545 Q549 T842 G844 | R543-K547 PolarHBondContact O-N 2.93Å; R543-K547 VanDerWaalsContact O-N 3.08Å; D544-K547 CarbonylContact O-C 3.43Å; D544-K547 WeakPolarHBondContact O-CA 3.44Å; D544-K547 WeakPolarHBondContact O-CB 3.47Å; D544-K547 PolarHBondContact O-N 3.19Å; D544-K547 VanDerWaalsContact O-N 3.12Å; M545-K547 VanDerWaalsContact C-N 3.29Å; M545-K547 PolarHBondContact O-N 3.37Å; K547-Q549 VanDerWaalsContact C-N 3.35Å; K547-T842 WeakPolarHBondContact CA-O 3.34Å; K547-T842 WeakPolarHBondContact CB-O 3.31Å; K547-T842 PolarHBondContact N-O 2.85Å; K547-T842 VanDerWaalsContact N-O 3.13Å; K547-G844 VanDerWaalsContact O-CA 3.27Å; K547-G844 WeakPolarHBondContact O-CA 3.38Å |
| 548 | R | 83.7 | Confident | 87.9 | Confident | 146.5 Ų | 146.5 | 40.8 Ų | 40.8 | 55% | 0.553 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 2.6 | 171.9 | -66.7 | 172.1 | -167.9 | -127.6 | -1.8 | 113.2 | D102 D544 M545 M546 D550 | D102-R548 IonicContact OD1-CZ 3.09Å; D102-R548 IonicContact OD1-NH1 3.83Å; D102-R548 PolarHBondContact OD1-NH1 3.28Å; D102-R548 IonicContact OD2-NH1 3.86Å; D544-R548 WeakPolarHBondContact O-CD 3.16Å; D544-R548 VanDerWaalsContact O-CG 3.25Å; D544-R548 WeakPolarHBondContact O-CG 3.37Å; D544-R548 PolarHBondContact O-N 3.18Å; D544-R548 VanDerWaalsContact O-N 3.12Å; D544-R548 IonicContact OD2-CZ 3.48Å; D544-R548 VanDerWaalsContact OD2-CZ 3.26Å; D544-R548 IonicContact OD2-NE 2.75Å; D544-R548 PolarHBondContact OD2-NE 3.25Å; D544-R548 IonicContact OD2-NH2 3.58Å; D544-R548 PolarHBondContact OD2-NH2 2.87Å; M545-R548 CarbonylContact O-C 3.55Å; M545-R548 WeakPolarHBondContact O-CA 3.22Å; M545-R548 PolarHBondContact O-N 3.26Å; M545-R548 VanDerWaalsContact O-N 3.11Å; M546-R548 PolarHBondContact O-N 2.94Å; R548-D550 PolarHBondContact O-N 3.28Å |
| 549 | Q | 82 | Confident | 88 | Confident | 79 Ų | 79 | 41 Ų | 41 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 34.5 | -171.9 | -55 | 180 | -49.9 | 0 | 0 | 112.6 | M545 M546 K547 N551 E618 H843 Y845 | M545-Q549 PolarHBondContact O-N 3.1Å; M545-Q549 VanDerWaalsContact O-N 3.15Å; M546-Q549 PolarHBondContact O-N 2.93Å; K547-Q549 VanDerWaalsContact C-N 3.35Å; Q549-N551 PolarHBondContact O-N 3.5Å; Q549-E618 PolarHBondContact NE2-OE1 3.41Å; Q549-E618 PolarHBondContact NE2-OE2 3.33Å; Q549-E618 VanDerWaalsContact NE2-OE2 3.14Å; Q549-H843 WeakPolarHBondContact CG-O 3.39Å; Q549-H843 PolarHBondContact NE2-O 3.14Å; Q549-Y845 PolarHBondContact NE2-OH 2.95Å |
| 550 | D | 82.7 | Confident | 88 | Confident | 31.5 Ų | 31.5 | 40.7 Ų | 40.7 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | trans | -87.2 | 110.2 | 176.3 | -173.1 | -13.7 | 0 | 0 | 0 | 110.7 | Y106 W477 M545 R548 N552 G553 | Y106-D550 VanDerWaalsContact OH-CG 3.22Å; Y106-D550 PolarHBondContact OH-OD1 3.26Å; Y106-D550 PolarHBondContact OH-OD2 2.93Å; W477-D550 VanDerWaalsContact CD1-OD2 3.29Å; M545-D550 HydrophobicContact CB-CB 4.1Å; M545-D550 VanDerWaalsContact CE-OD2 3.23Å; M545-D550 WeakPolarHBondContact CE-OD2 3.42Å; M545-D550 HydrophobicContact CG-CB 4.49Å; M545-D550 WeakPolarHBondContact O-CB 3.02Å; M545-D550 PolarHBondContact O-N 3.14Å; R548-D550 PolarHBondContact O-N 3.28Å; D550-N552 PolarHBondContact O-N 2.92Å; D550-N552 VanDerWaalsContact O-N 3.09Å; D550-N552 VanDerWaalsContact OD1-CB 3.31Å; D550-N552 WeakPolarHBondContact OD1-CB 3.31Å; D550-N552 PolarHBondContact OD1-N 3.39Å; D550-N552 PolarHBondContact OD1-ND2 3.22Å; D550-G553 PolarHBondContact O-N 3.4Å | ||
| 551 | N | 78.7 | Confident | 88.2 | Confident | 71.5 Ų | 71.5 | 37.5 Ų | 37.5 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -28 | 179.7 | -64.1 | -54.1 | 0 | 0 | 0 | 113.8 | Q549 G553 V554 | Q549-N551 PolarHBondContact O-N 3.5Å; N551-G553 PolarHBondContact O-N 3.41Å; N551-V554 PolarHBondContact O-N 3.16Å |
| 552 | N | 84.3 | Confident | 88.3 | Confident | 22.5 Ų | 22.5 | 35.2 Ų | 35.2 | 12% | 0.12 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -21.5 | 178 | -67.9 | -50.5 | 0 | 0 | 0 | 112.7 | Y106 W477 M545 D550 V554 L555 L556 | Y106-N552 WeakPolarHBondContact OH-CB 3.4Å; Y106-N552 PolarHBondContact OH-ND2 3.17Å; W477-N552 PolarHBondContact O-ND2 3.14Å; M545-N552 HydrophobicContact CE-CB 3.54Å; M545-N552 VanDerWaalsContact CE-CB 3.46Å; D550-N552 PolarHBondContact O-N 2.92Å; D550-N552 VanDerWaalsContact O-N 3.09Å; D550-N552 VanDerWaalsContact OD1-CB 3.31Å; D550-N552 WeakPolarHBondContact OD1-CB 3.31Å; D550-N552 PolarHBondContact OD1-N 3.39Å; D550-N552 PolarHBondContact OD1-ND2 3.22Å; N552-V554 VanDerWaalsContact C-N 3.31Å; N552-V554 PolarHBondContact O-N 3.35Å; N552-L555 PolarHBondContact O-N 3.23Å; N552-L556 WeakPolarHBondContact O-CB 3.44Å; N552-L556 WeakPolarHBondContact O-CG 3.43Å; N552-L556 PolarHBondContact O-N 3.24Å |
| 553 | G | 87.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D550 N551 L557 | D550-G553 PolarHBondContact O-N 3.4Å; N551-G553 PolarHBondContact O-N 3.41Å; G553-L557 WeakPolarHBondContact O-CB 3.2Å; G553-L557 PolarHBondContact O-N 2.86Å; G553-L557 VanDerWaalsContact O-N 3.11Å |
| 554 | V | 89 | Confident | 88.2 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73.3 | -36.8 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | N551 N552 L557 E558 W610 A613 | N551-V554 PolarHBondContact O-N 3.16Å; N552-V554 VanDerWaalsContact C-N 3.31Å; N552-V554 PolarHBondContact O-N 3.35Å; V554-L557 WeakPolarHBondContact O-CB 3.44Å; V554-L557 PolarHBondContact O-N 2.9Å; V554-E558 PolarHBondContact O-N 3.02Å; V554-W610 HydrophobicContact CG1-CH2 4.31Å; V554-W610 HydrophobicContact CG1-CZ3 4.14Å; V554-A613 HydrophobicContact CG2-CB 4.39Å |
| 555 | L | 87 | Confident | 88.4 | Confident | 52 Ų | 52 | 28.9 Ų | 28.9 | 27% | 0.272 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.4 | -42 | 175.6 | -61.7 | 176.4 | 0 | 0 | 0 | 111.8 | F479 N552 L557 E558 I559 | F479-L555 HydrophobicContact CZ-CB 4.5Å; N552-L555 PolarHBondContact O-N 3.23Å; L555-L557 VanDerWaalsContact C-N 3.32Å; L555-L557 PolarHBondContact O-N 2.92Å; L555-E558 PolarHBondContact O-N 2.94Å; L555-I559 WeakPolarHBondContact O-CG1 3.45Å; L555-I559 PolarHBondContact O-N 3.21Å; L555-I559 VanDerWaalsContact O-N 3.1Å |
| 556 | L | 90.8 | Very high | 88.5 | Confident | 8.5 Ų | 8.5 | 29.4 Ų | 29.4 | 5% | 0.045 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 172.9 | -73.6 | 169.6 | 0 | 0 | 0 | 111.8 | L109 F479 L484 I542 M545 N552 I559 V560 | L109-L556 HydrophobicContact CD1-CD1 4Å; L109-L556 HydrophobicContact CD2-CD1 4.03Å; L109-L556 HydrophobicContact CD2-CD2 4.25Å; F479-L556 HydrophobicContact CD1-CD2 4.23Å; F479-L556 HydrophobicContact CD1-CG 4.46Å; F479-L556 HydrophobicContact CD2-CD2 4.2Å; F479-L556 HydrophobicContact CE1-CD2 3.57Å; F479-L556 VanDerWaalsContact CE1-CD2 3.49Å; F479-L556 HydrophobicContact CE1-CG 3.98Å; F479-L556 HydrophobicContact CE2-CD2 3.91Å; F479-L556 HydrophobicContact CG-CD2 4.25Å; F479-L556 HydrophobicContact CZ-CD2 3.56Å; F479-L556 HydrophobicContact CZ-CG 4.05Å; L484-L556 HydrophobicContact CD2-CD2 3.47Å; L484-L556 VanDerWaalsContact CD2-CD2 3.4Å; I542-L556 HydrophobicContact CD1-CB 3.93Å; I542-L556 HydrophobicContact CG1-CB 3.81Å; I542-L556 HydrophobicContact CG1-CD1 4.44Å; M545-L556 HydrophobicContact CE-CD1 3.72Å; M545-L556 HydrophobicContact SD-CD1 3.62Å; M545-L556 VanDerWaalsContact SD-CD1 3.56Å; N552-L556 WeakPolarHBondContact O-CB 3.44Å; N552-L556 WeakPolarHBondContact O-CG 3.43Å; N552-L556 PolarHBondContact O-N 3.24Å; L556-I559 PolarHBondContact O-N 3.37Å; L556-V560 WeakPolarHBondContact O-CB 3.36Å; L556-V560 WeakPolarHBondContact O-CG2 3.35Å; L556-V560 PolarHBondContact O-N 3Å |
| 557 | L | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 174.5 | -172.9 | 63.6 | 0 | 0 | 0 | 112 | I542 G553 V554 L555 V560 T561 I606 L609 W610 | I542-L557 HydrophobicContact CD1-CB 4.4Å; I542-L557 HydrophobicContact CG2-CB 4.22Å; G553-L557 WeakPolarHBondContact O-CB 3.2Å; G553-L557 PolarHBondContact O-N 2.86Å; G553-L557 VanDerWaalsContact O-N 3.11Å; V554-L557 WeakPolarHBondContact O-CB 3.44Å; V554-L557 PolarHBondContact O-N 2.9Å; L555-L557 VanDerWaalsContact C-N 3.32Å; L555-L557 PolarHBondContact O-N 2.92Å; L557-V560 PolarHBondContact O-N 3.07Å; L557-T561 VanDerWaalsContact O-CB 3.24Å; L557-T561 WeakPolarHBondContact O-CB 3.47Å; L557-T561 PolarHBondContact O-N 3.24Å; L557-T561 PolarHBondContact O-OG1 3.14Å; L557-I606 HydrophobicContact CD1-CG2 4.44Å; L557-L609 HydrophobicContact CD1-CB 3.96Å; L557-L609 HydrophobicContact CD1-CD1 4.17Å; L557-L609 HydrophobicContact CD2-CB 3.95Å; L557-W610 HydrophobicContact CB-CZ2 4.49Å; L557-W610 HydrophobicContact CD2-CB 4.47Å; L557-W610 HydrophobicContact CD2-CD2 3.68Å; L557-W610 HydrophobicContact CD2-CE3 4.14Å; L557-W610 HydrophobicContact CD2-CG 3.85Å; L557-W610 HydrophobicContact CD2-CZ2 4.28Å; L557-W610 HydrophobicContact CG-CD2 4.19Å; L557-W610 HydrophobicContact CG-CG 4.43Å; L557-W610 HydrophobicContact CG-CZ2 4.03Å |
| 558 | E | 91.6 | Very high | 88.3 | Confident | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.056 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 172.7 | -173 | 170.6 | -159 | 0 | 0 | 111.5 | V554 L555 T561 R562 W610 R663 F667 | V554-E558 PolarHBondContact O-N 3.02Å; L555-E558 PolarHBondContact O-N 2.94Å; E558-T561 PolarHBondContact O-N 3.17Å; E558-R562 WeakPolarHBondContact O-CB 3.32Å; E558-R562 PolarHBondContact O-N 3.05Å; E558-W610 HydrophobicContact CB-CH2 4.32Å; E558-W610 HydrophobicContact CB-CZ2 4.28Å; E558-R663 VanDerWaalsContact OE1-CD 3.26Å; E558-R663 WeakPolarHBondContact OE1-CD 3.45Å; E558-R663 IonicContact OE1-CZ 3.36Å; E558-R663 IonicContact OE1-NE 3.95Å; E558-R663 PolarHBondContact OE1-NE 3.23Å; E558-R663 IonicContact OE1-NH2 2.61Å; E558-F667 HydrophobicContact CG-CZ 4.21Å |
| 559 | I | 90.6 | Very high | 88.3 | Confident | 19 Ų | 19 | 24.8 Ų | 24.8 | 10% | 0.097 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 178 | -71.1 | 164.5 | 0 | 0 | 0 | 111.8 | F479 L484 E485 L488 L555 L556 R562 C563 | F479-I559 HydrophobicContact CE1-CD1 4.25Å; F479-I559 HydrophobicContact CE2-CD1 3.4Å; F479-I559 HydrophobicContact CZ-CD1 3.76Å; L484-I559 HydrophobicContact CD2-CG2 4.2Å; L484-I559 HydrophobicContact CG-CG2 4.41Å; E485-I559 HydrophobicContact CB-CG2 3.79Å; E485-I559 HydrophobicContact CG-CG2 3.87Å; L488-I559 HydrophobicContact CD1-CG2 4.09Å; L555-I559 WeakPolarHBondContact O-CG1 3.45Å; L555-I559 PolarHBondContact O-N 3.21Å; L555-I559 VanDerWaalsContact O-N 3.1Å; L556-I559 PolarHBondContact O-N 3.37Å; I559-R562 PolarHBondContact O-N 3.24Å; I559-R562 PolarHBondContact O-NH2 3.07Å; I559-C563 WeakPolarHBondContact O-CB 3.32Å; I559-C563 PolarHBondContact O-N 3.28Å; I559-C563 PolarHBondContact O-SG 3.3Å |
| 560 | V | 92.9 | Very high | 88.6 | Confident | 1.5 Ų | 1.5 | 21.1 Ų | 21.1 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 178 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | L488 L535 L538 L539 I542 L556 L557 R562 C563 I564 I606 | L488-V560 HydrophobicContact CD1-CG2 3.97Å; L535-V560 HydrophobicContact CD1-CG1 3.91Å; L535-V560 HydrophobicContact CD1-CG2 4.38Å; L538-V560 HydrophobicContact CD2-CG2 3.54Å; L538-V560 VanDerWaalsContact CD2-CG2 3.5Å; L538-V560 HydrophobicContact CG-CG2 4.26Å; L539-V560 HydrophobicContact CD2-CG1 4.08Å; I542-V560 HydrophobicContact CD1-CG2 4.38Å; L556-V560 WeakPolarHBondContact O-CB 3.36Å; L556-V560 WeakPolarHBondContact O-CG2 3.35Å; L556-V560 PolarHBondContact O-N 3Å; L557-V560 PolarHBondContact O-N 3.07Å; V560-R562 PolarHBondContact O-N 3.38Å; V560-C563 PolarHBondContact O-N 2.87Å; V560-I564 HydrophobicContact CG1-CD1 3.71Å; V560-I564 WeakPolarHBondContact O-CG1 3.35Å; V560-I564 PolarHBondContact O-N 3.31Å; V560-I564 VanDerWaalsContact O-N 3.11Å; V560-I606 HydrophobicContact CG1-CD1 4.15Å |
| 561 | T | 94.1 | Very high | 88.9 | Confident | 2.5 Ų | 2.5 | 19.7 Ų | 19.7 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | L557 E558 C563 I564 L565 I606 W610 F667 F726 | L557-T561 VanDerWaalsContact O-CB 3.24Å; L557-T561 WeakPolarHBondContact O-CB 3.47Å; L557-T561 PolarHBondContact O-N 3.24Å; L557-T561 PolarHBondContact O-OG1 3.14Å; E558-T561 PolarHBondContact O-N 3.17Å; T561-C563 PolarHBondContact O-N 3.35Å; T561-I564 PolarHBondContact O-N 3.33Å; T561-I564 VanDerWaalsContact O-N 3.16Å; T561-L565 HydrophobicContact CG2-CD1 3.9Å; T561-L565 HydrophobicContact CG2-CG 4.23Å; T561-L565 WeakPolarHBondContact O-CB 3.2Å; T561-L565 VanDerWaalsContact O-CG 3.3Å; T561-L565 WeakPolarHBondContact O-CG 3.42Å; T561-L565 PolarHBondContact O-N 3.15Å; T561-I606 HydrophobicContact CG2-CG2 4.41Å; T561-I606 WeakPolarHBondContact OG1-CG2 3.27Å; T561-W610 PolarHBondContact OG1-NE1 3.29Å; T561-F667 HydrophobicContact CG2-CD2 3.91Å; T561-F667 HydrophobicContact CG2-CE2 4.05Å; T561-F667 HydrophobicContact CG2-CG 4.25Å; T561-F667 HydrophobicContact CG2-CZ 4.44Å; T561-F726 HydrophobicContact CG2-CE1 4.06Å; T561-F726 HydrophobicContact CG2-CZ 3.81Å |
| 562 | R | 90.8 | Very high | 89.2 | Confident | 9 Ų | 9 | 18.4 Ų | 18.4 | 3% | 0.034 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 179.5 | -164.8 | -159.9 | 52.6 | 36.5 | 33.1 | 111.9 | F291 E485 R489 E558 I559 V560 I564 L565 D566 | F291-R562 HydrophobicContact CB-CG 3.82Å; F291-R562 HydrophobicContact CD1-CG 4.04Å; F291-R562 HydrophobicContact CG-CG 4.14Å; E485-R562 IonicContact OE1-CZ 3.35Å; E485-R562 IonicContact OE1-NE 2.7Å; E485-R562 PolarHBondContact OE1-NE 3.41Å; E485-R562 IonicContact OE1-NH2 3.08Å; E485-R562 PolarHBondContact OE1-NH2 3.01Å; E485-R562 IonicContact OE2-CZ 3.6Å; E485-R562 IonicContact OE2-NE 3.2Å; E485-R562 IonicContact OE2-NH2 3.45Å; E485-R562 PolarHBondContact OE2-NH2 3.19Å; R489-R562 VanDerWaalsContact NH2-CZ 3.3Å; E558-R562 WeakPolarHBondContact O-CB 3.32Å; E558-R562 PolarHBondContact O-N 3.05Å; I559-R562 PolarHBondContact O-N 3.24Å; I559-R562 PolarHBondContact O-NH2 3.07Å; V560-R562 PolarHBondContact O-N 3.38Å; R562-I564 VanDerWaalsContact C-N 3.32Å; R562-I564 PolarHBondContact O-N 2.95Å; R562-L565 PolarHBondContact O-N 3.01Å; R562-D566 IonicContact CZ-OD2 3.17Å; R562-D566 IonicContact NH1-OD1 3.04Å; R562-D566 IonicContact NH1-OD2 2.9Å; R562-D566 PolarHBondContact NH1-OD2 3.2Å; R562-D566 IonicContact NH2-OD2 3.26Å; R562-D566 VanDerWaalsContact O-CG 3.32Å; R562-D566 PolarHBondContact O-N 3.38Å |
| 563 | C | 91 | Very high | 89.3 | Confident | 0.5 Ų | 0.5 | 18.5 Ų | 18.5 | 0% | 0.003 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.9 | -26.9 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | L488 R489 L492 I559 V560 T561 | L488-C563 HydrophobicContact CB-CB 4.26Å; R489-C563 HydrophobicContact CG-CB 4.4Å; R489-C563 VanDerWaalsContact CG-SG 3.56Å; L492-C563 HydrophobicContact CD1-CB 4.05Å; I559-C563 WeakPolarHBondContact O-CB 3.32Å; I559-C563 PolarHBondContact O-N 3.28Å; I559-C563 PolarHBondContact O-SG 3.3Å; V560-C563 PolarHBondContact O-N 2.87Å; T561-C563 PolarHBondContact O-N 3.35Å |
| 564 | I | 91.5 | Very high | 89.4 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.036 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -86.2 | -37.9 | 176.8 | -70.6 | 164.5 | 0 | 0 | 0 | 111 | L492 L535 V560 T561 R562 D566 M567 V570 M571 L602 I606 | L492-I564 HydrophobicContact CD1-CG1 3.76Å; L492-I564 HydrophobicContact CD2-CG1 4.23Å; L535-I564 HydrophobicContact CD2-CD1 4.22Å; V560-I564 HydrophobicContact CG1-CD1 3.71Å; V560-I564 WeakPolarHBondContact O-CG1 3.35Å; V560-I564 PolarHBondContact O-N 3.31Å; V560-I564 VanDerWaalsContact O-N 3.11Å; T561-I564 PolarHBondContact O-N 3.33Å; T561-I564 VanDerWaalsContact O-N 3.16Å; R562-I564 VanDerWaalsContact C-N 3.32Å; R562-I564 PolarHBondContact O-N 2.95Å; I564-D566 VanDerWaalsContact C-N 3.28Å; I564-D566 PolarHBondContact O-N 3.38Å; I564-M567 WeakPolarHBondContact O-CB 3.4Å; I564-M567 PolarHBondContact O-N 3.04Å; I564-M567 VanDerWaalsContact O-N 3.09Å; I564-V570 HydrophobicContact CG2-CG1 4.09Å; I564-M571 HydrophobicContact CG2-CE 3.9Å; I564-L602 HydrophobicContact CD1-CD1 4.5Å; I564-L602 HydrophobicContact CD1-CD2 3.92Å; I564-L602 HydrophobicContact CD1-CG 4.22Å; I564-I606 HydrophobicContact CD1-CD1 3.28Å |
| 565 | L | 91.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.6 | -32.3 | 170.5 | -73.3 | 176.2 | 0 | 0 | 0 | 112.2 | T561 R562 M567 M571 F667 F670 A671 Q674 F726 | T561-L565 HydrophobicContact CG2-CD1 3.9Å; T561-L565 HydrophobicContact CG2-CG 4.23Å; T561-L565 WeakPolarHBondContact O-CB 3.2Å; T561-L565 VanDerWaalsContact O-CG 3.3Å; T561-L565 WeakPolarHBondContact O-CG 3.42Å; T561-L565 PolarHBondContact O-N 3.15Å; R562-L565 PolarHBondContact O-N 3.01Å; L565-M567 PolarHBondContact O-N 3.21Å; L565-M567 VanDerWaalsContact O-N 3.12Å; L565-M571 HydrophobicContact CD2-CE 4.31Å; L565-M571 HydrophobicContact CD2-SD 3.65Å; L565-M571 VanDerWaalsContact CD2-SD 3.56Å; L565-F667 HydrophobicContact CD1-CB 3.83Å; L565-F667 HydrophobicContact CD1-CD1 3.36Å; L565-F667 HydrophobicContact CD1-CE1 4.09Å; L565-F667 HydrophobicContact CD1-CG 3.72Å; L565-F670 HydrophobicContact CB-CD1 3.93Å; L565-F670 HydrophobicContact CB-CE1 4.03Å; L565-F670 HydrophobicContact CD1-CD1 4.33Å; L565-F670 HydrophobicContact CD2-CD1 4.41Å; L565-F670 HydrophobicContact CG-CD1 4.5Å; L565-F670 WeakPolarHBondContact O-CE1 3.21Å; L565-A671 HydrophobicContact CD2-CB 3.94Å; L565-Q674 PolarHBondContact O-NE2 3.35Å; L565-Q674 PolarHBondContact O-OE1 3.28Å; L565-F726 HydrophobicContact CD2-CE2 4.23Å |
| 566 | D | 87.9 | Confident | 89 | Confident | 26.5 Ų | 26.5 | 17 Ų | 17 | 14% | 0.142 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.9 | 173.6 | -72.7 | -33.1 | 0 | 0 | 0 | 113.2 | S290 F291 R489 R562 I564 | S290-D566 PolarHBondContact OG-OD1 3.1Å; F291-D566 PolarHBondContact N-OD1 3.29Å; R489-D566 IonicContact NE-OD2 2.97Å; R489-D566 PolarHBondContact NE-OD2 2.98Å; R489-D566 IonicContact NH2-OD2 3.32Å; R562-D566 IonicContact CZ-OD2 3.17Å; R562-D566 IonicContact NH1-OD1 3.04Å; R562-D566 IonicContact NH1-OD2 2.9Å; R562-D566 PolarHBondContact NH1-OD2 3.2Å; R562-D566 IonicContact NH2-OD2 3.26Å; R562-D566 VanDerWaalsContact O-CG 3.32Å; R562-D566 PolarHBondContact O-N 3.38Å; I564-D566 VanDerWaalsContact C-N 3.28Å; I564-D566 PolarHBondContact O-N 3.38Å |
| 567 | M | 86.9 | Confident | 88.6 | Confident | 19 Ų | 19 | 17.2 Ų | 17.2 | 9% | 0.094 | 9% | 0.086 | C | C | . | . | trans | -102.7 | 94.7 | -175.9 | -58.8 | -70.8 | 14.9 | 0 | 0 | 112.7 | L492 R493 I564 L565 E569 V570 M571 | L492-M567 HydrophobicContact CB-CG 4.48Å; R493-M567 HydrophobicContact CG-CE 3.91Å; R493-M567 HydrophobicContact CG-SD 3.77Å; I564-M567 WeakPolarHBondContact O-CB 3.4Å; I564-M567 PolarHBondContact O-N 3.04Å; I564-M567 VanDerWaalsContact O-N 3.09Å; L565-M567 PolarHBondContact O-N 3.21Å; L565-M567 VanDerWaalsContact O-N 3.12Å; M567-E569 VanDerWaalsContact C-N 3.3Å; M567-E569 PolarHBondContact O-N 3.42Å; M567-E569 VanDerWaalsContact O-N 3.14Å; M567-V570 HydrophobicContact CB-CB 4.1Å; M567-V570 HydrophobicContact CB-CG2 3.67Å; M567-V570 HydrophobicContact CG-CG2 4.47Å; M567-V570 WeakPolarHBondContact O-CB 3.45Å; M567-V570 PolarHBondContact O-N 3.25Å; M567-V570 VanDerWaalsContact O-N 3.14Å; M567-M571 PolarHBondContact O-N 3.19Å | ||
| 568 | N | 85.5 | Confident | 88.1 | Confident | 47.5 Ų | 47.5 | 19.5 Ų | 19.5 | 25% | 0.254 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -51.5 | -41.9 | -176.9 | -61.8 | -13.5 | 0 | 0 | 0 | 114.1 | V570 M571 F572 Q674 Q678 | N568-V570 VanDerWaalsContact C-N 3.32Å; N568-V570 PolarHBondContact O-N 3.1Å; N568-M571 PolarHBondContact O-N 3.15Å; N568-F572 WeakPolarHBondContact O-CB 3.24Å; N568-F572 PolarHBondContact O-N 3.11Å; N568-Q674 PolarHBondContact OD1-NE2 2.85Å; N568-Q674 PolarHBondContact OD1-OE1 3.27Å; N568-Q678 HydrophobicContact CB-CG 4.43Å |
| 569 | E | 84.4 | Confident | 87.6 | Confident | 81 Ų | 81 | 20.2 Ų | 20.2 | 38% | 0.379 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64.3 | -38.4 | -177.8 | -64.4 | 66.9 | -145.9 | 0 | 0 | 111.6 | M567 F572 W573 Q678 | M567-E569 VanDerWaalsContact C-N 3.3Å; M567-E569 PolarHBondContact O-N 3.42Å; M567-E569 VanDerWaalsContact O-N 3.14Å; E569-F572 PolarHBondContact O-N 2.83Å; E569-W573 HydrophobicContact CB-CH2 4.13Å; E569-W573 HydrophobicContact CB-CZ2 4.06Å; E569-W573 HydrophobicContact CB-CZ3 4.35Å; E569-W573 WeakPolarHBondContact O-CB 3.42Å; E569-W573 VanDerWaalsContact O-CD2 3.24Å; E569-W573 PolarHBondContact O-N 3.41Å; E569-Q678 PolarHBondContact OE1-NE2 3.35Å |
| 570 | V | 88.1 | Confident | 87 | Confident | 1.5 Ų | 1.5 | 22.5 Ų | 22.5 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -44.6 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | W496 I564 M567 N568 W573 W574 A599 | W496-V570 HydrophobicContact CG-CG2 4.32Å; W496-V570 VanDerWaalsContact NE1-CG2 3.26Å; I564-V570 HydrophobicContact CG2-CG1 4.09Å; M567-V570 HydrophobicContact CB-CB 4.1Å; M567-V570 HydrophobicContact CB-CG2 3.67Å; M567-V570 HydrophobicContact CG-CG2 4.47Å; M567-V570 WeakPolarHBondContact O-CB 3.45Å; M567-V570 PolarHBondContact O-N 3.25Å; M567-V570 VanDerWaalsContact O-N 3.14Å; N568-V570 VanDerWaalsContact C-N 3.32Å; N568-V570 PolarHBondContact O-N 3.1Å; V570-W573 PolarHBondContact O-N 2.98Å; V570-W574 VanDerWaalsContact O-CB 3.3Å; V570-W574 WeakPolarHBondContact O-CB 3.45Å; V570-W574 PolarHBondContact O-N 3.26Å; V570-A599 HydrophobicContact CG1-CB 3.96Å |
| 571 | M | 89.7 | Confident | 86.1 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 177.1 | -64.5 | -57.8 | 100.6 | 0 | 0 | 111.8 | I564 L565 M567 N568 W574 C575 A671 Q674 | I564-M571 HydrophobicContact CG2-CE 3.9Å; L565-M571 HydrophobicContact CD2-CE 4.31Å; L565-M571 HydrophobicContact CD2-SD 3.65Å; L565-M571 VanDerWaalsContact CD2-SD 3.56Å; M567-M571 PolarHBondContact O-N 3.19Å; N568-M571 PolarHBondContact O-N 3.15Å; M571-W574 HydrophobicContact CE-CE3 3.9Å; M571-W574 HydrophobicContact CE-CZ3 4.37Å; M571-W574 PolarHBondContact O-N 3.03Å; M571-W574 HydrophobicContact SD-CE3 3.92Å; M571-W574 HydrophobicContact SD-CZ3 4.22Å; M571-C575 WeakPolarHBondContact O-CB 3.25Å; M571-C575 PolarHBondContact O-N 3.08Å; M571-A671 HydrophobicContact SD-CB 3.73Å; M571-Q674 HydrophobicContact CB-CB 3.85Å; M571-Q674 HydrophobicContact CG-CB 4.01Å; M571-Q674 VanDerWaalsContact CG-OE1 3.29Å |
| 572 | F | 85.2 | Confident | 84.9 | Confident | 42.5 Ų | 42.5 | 26 Ų | 26 | 19% | 0.186 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.6 | 172.9 | -105.8 | 0 | 0 | 0 | 112.5 | N568 E569 T576 Q678 I679 | N568-F572 WeakPolarHBondContact O-CB 3.24Å; N568-F572 PolarHBondContact O-N 3.11Å; E569-F572 PolarHBondContact O-N 2.83Å; F572-T576 WeakPolarHBondContact CE2-OG1 3.42Å; F572-T576 VanDerWaalsContact O-CB 3.22Å; F572-T576 WeakPolarHBondContact O-CB 3.46Å; F572-T576 PolarHBondContact O-N 3.31Å; F572-T576 PolarHBondContact O-OG1 3.23Å; F572-Q678 HydrophobicContact CB-CB 3.77Å; F572-Q678 HydrophobicContact CB-CG 3.94Å; F572-Q678 HydrophobicContact CD1-CB 4.34Å; F572-Q678 HydrophobicContact CD2-CB 3.46Å; F572-Q678 VanDerWaalsContact CD2-CB 3.46Å; F572-Q678 HydrophobicContact CE2-CB 4.18Å; F572-Q678 HydrophobicContact CG-CB 3.63Å; F572-Q678 HydrophobicContact CG-CG 4.23Å; F572-I679 HydrophobicContact CD2-CG1 4.18Å; F572-I679 HydrophobicContact CE2-CG1 3.92Å |
| 573 | W | 85.8 | Confident | 83.8 | Confident | 26.5 Ų | 26.5 | 30.1 Ų | 30.1 | 10% | 0.1 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.2 | -62.6 | -24.6 | 0 | 0 | 0 | 112.1 | E569 V570 C575 T576 V577 T595 Q596 A599 | E569-W573 HydrophobicContact CB-CH2 4.13Å; E569-W573 HydrophobicContact CB-CZ2 4.06Å; E569-W573 HydrophobicContact CB-CZ3 4.35Å; E569-W573 WeakPolarHBondContact O-CB 3.42Å; E569-W573 VanDerWaalsContact O-CD2 3.24Å; E569-W573 PolarHBondContact O-N 3.41Å; V570-W573 PolarHBondContact O-N 2.98Å; W573-C575 PolarHBondContact O-N 2.81Å; W573-T576 PolarHBondContact O-N 3.24Å; W573-V577 VanDerWaalsContact O-CB 3.28Å; W573-V577 WeakPolarHBondContact O-CB 3.34Å; W573-V577 VanDerWaalsContact O-CG2 3.24Å; W573-V577 WeakPolarHBondContact O-CG2 3.11Å; W573-V577 PolarHBondContact O-N 2.87Å; W573-T595 HydrophobicContact CE3-CG2 4.36Å; W573-T595 HydrophobicContact CH2-CG2 3.83Å; W573-T595 HydrophobicContact CZ3-CG2 3.57Å; W573-Q596 HydrophobicContact CB-CB 4.48Å; W573-Q596 HydrophobicContact CB-CG 4.2Å; W573-Q596 HydrophobicContact CD2-CB 4.49Å; W573-Q596 HydrophobicContact CD2-CG 3.75Å; W573-Q596 HydrophobicContact CE3-CG 4.36Å; W573-Q596 HydrophobicContact CG-CB 4.39Å; W573-Q596 HydrophobicContact CG-CG 3.64Å; W573-A599 HydrophobicContact CB-CB 4.39Å; W573-A599 HydrophobicContact CE3-CB 3.99Å |
| 574 | W | 89.8 | Confident | 82.7 | Confident | 4.5 Ų | 4.5 | 31.2 Ų | 31.2 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -51.2 | 177.7 | -178.4 | 24.2 | 0 | 0 | 0 | 111.5 | V570 M571 Q578 C603 V607 A671 F723 F726 | V570-W574 VanDerWaalsContact O-CB 3.3Å; V570-W574 WeakPolarHBondContact O-CB 3.45Å; V570-W574 PolarHBondContact O-N 3.26Å; M571-W574 HydrophobicContact CE-CE3 3.9Å; M571-W574 HydrophobicContact CE-CZ3 4.37Å; M571-W574 PolarHBondContact O-N 3.03Å; M571-W574 HydrophobicContact SD-CE3 3.92Å; M571-W574 HydrophobicContact SD-CZ3 4.22Å; W574-Q578 VanDerWaalsContact NE1-OE1 3.11Å; W574-Q578 VanDerWaalsContact O-CB 3.24Å; W574-Q578 WeakPolarHBondContact O-CB 3.35Å; W574-Q578 PolarHBondContact O-N 2.93Å; W574-C603 HydrophobicContact CD2-CB 3.41Å; W574-C603 VanDerWaalsContact CD2-CB 3.42Å; W574-C603 VanDerWaalsContact CE2-CB 3.46Å; W574-C603 HydrophobicContact CE3-CB 3.72Å; W574-C603 HydrophobicContact CG-CB 3.83Å; W574-C603 HydrophobicContact CH2-CB 4.09Å; W574-C603 HydrophobicContact CZ2-CB 3.82Å; W574-C603 HydrophobicContact CZ3-CB 4.05Å; W574-V607 HydrophobicContact CH2-CG2 3.73Å; W574-V607 HydrophobicContact CZ2-CG2 3.77Å; W574-A671 HydrophobicContact CZ3-CB 4.4Å; W574-F723 AromaticContact CD2-CE2 3.8Å; W574-F723 HydrophobicContact CD2-CE2 3.8Å; W574-F723 AromaticContact CD2-CZ 3.76Å; W574-F723 HydrophobicContact CD2-CZ 3.76Å; W574-F723 AromaticContact CE2-CE2 3.81Å; W574-F723 AromaticContact CE2-CZ 3.87Å; W574-F723 HydrophobicContact CE3-CE2 4.28Å; W574-F723 AromaticContact CE3-CZ 3.78Å; W574-F723 HydrophobicContact CE3-CZ 3.78Å; W574-F723 HydrophobicContact CG-CE2 4.02Å; W574-F723 HydrophobicContact CG-CZ 4.41Å; W574-F723 HydrophobicContact CH2-CZ 4.09Å; W574-F723 HydrophobicContact CZ2-CE2 4.33Å; W574-F723 AromaticContact CZ2-CZ 3.95Å; W574-F723 HydrophobicContact CZ2-CZ 4.05Å; W574-F723 AromaticContact CZ3-CZ 3.94Å; W574-F723 HydrophobicContact CZ3-CZ 3.94Å; W574-F723 AromaticContact NE1-CE2 3.84Å; W574-F726 HydrophobicContact CH2-CD2 4.09Å; W574-F726 AromaticContact CH2-CE2 3.8Å; W574-F726 HydrophobicContact CH2-CE2 3.8Å; W574-F726 HydrophobicContact CH2-CZ 4.23Å; W574-F726 HydrophobicContact CZ3-CD2 4.49Å; W574-F726 AromaticContact CZ3-CE2 3.88Å; W574-F726 HydrophobicContact CZ3-CE2 3.88Å; W574-F726 HydrophobicContact CZ3-CZ 4.39Å |
| 575 | C | 86.1 | Confident | 81.2 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | M571 W573 V577 T579 A675 F723 | M571-C575 WeakPolarHBondContact O-CB 3.25Å; M571-C575 PolarHBondContact O-N 3.08Å; W573-C575 PolarHBondContact O-N 2.81Å; C575-V577 PolarHBondContact O-N 3.28Å; C575-T579 WeakPolarHBondContact O-CB 3.37Å; C575-T579 VanDerWaalsContact O-CG2 3.3Å; C575-T579 WeakPolarHBondContact O-CG2 3.39Å; C575-T579 PolarHBondContact O-N 2.98Å; C575-T579 PolarHBondContact O-OG1 3.04Å; C575-A675 HydrophobicContact CB-CB 3.58Å; C575-F723 HydrophobicContact CB-CD2 4.12Å; C575-F723 HydrophobicContact CB-CE2 4.18Å |
| 576 | T | 82.3 | Confident | 79.7 | Confident | 36.5 Ų | 36.5 | 40.4 Ų | 40.4 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | -177.6 | -59.1 | 0 | 0 | 0 | 0 | 112 | F572 W573 T579 N580 | F572-T576 WeakPolarHBondContact CE2-OG1 3.42Å; F572-T576 VanDerWaalsContact O-CB 3.22Å; F572-T576 WeakPolarHBondContact O-CB 3.46Å; F572-T576 PolarHBondContact O-N 3.31Å; F572-T576 PolarHBondContact O-OG1 3.23Å; W573-T576 PolarHBondContact O-N 3.24Å; T576-T579 PolarHBondContact O-OG1 3.09Å; T576-T579 VanDerWaalsContact O-OG1 3.12Å; T576-N580 WeakPolarHBondContact O-CB 3.4Å; T576-N580 PolarHBondContact O-N 3.08Å; T576-N580 VanDerWaalsContact O-N 3.12Å; T576-N580 PolarHBondContact O-ND2 3.38Å |
| 577 | V | 82.8 | Confident | 78.2 | Confident | 11.5 Ų | 11.5 | 43.3 Ų | 43.3 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75 | -38.1 | -176.1 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | W573 C575 N580 F584 V600 L1125 | W573-V577 VanDerWaalsContact O-CB 3.28Å; W573-V577 WeakPolarHBondContact O-CB 3.34Å; W573-V577 VanDerWaalsContact O-CG2 3.24Å; W573-V577 WeakPolarHBondContact O-CG2 3.11Å; W573-V577 PolarHBondContact O-N 2.87Å; C575-V577 PolarHBondContact O-N 3.28Å; V577-N580 CarbonylContact O-C 3.36Å; V577-N580 PolarHBondContact O-N 3.08Å; V577-F584 HydrophobicContact CG1-CE1 4.06Å; V577-F584 HydrophobicContact CG1-CZ 4.11Å; V577-F584 HydrophobicContact CG2-CE1 4.17Å; V577-V600 HydrophobicContact CB-CG2 3.77Å; V577-V600 HydrophobicContact CG1-CG2 3.82Å; V577-V600 HydrophobicContact CG2-CG2 4.37Å; V577-L1125 HydrophobicContact CG1-CD1 3.28Å; V577-L1125 HydrophobicContact CG1-CG 4.43Å |
| 578 | Q | 82.3 | Confident | 77.3 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.7 | -169 | 176.8 | 35.1 | 0 | 0 | 112.5 | W574 F723 S724 | W574-Q578 VanDerWaalsContact NE1-OE1 3.11Å; W574-Q578 VanDerWaalsContact O-CB 3.24Å; W574-Q578 WeakPolarHBondContact O-CB 3.35Å; W574-Q578 PolarHBondContact O-N 2.93Å; Q578-F723 HydrophobicContact CB-CD2 4.45Å; Q578-F723 VanDerWaalsContact OE1-CE2 3.23Å; Q578-S724 PolarHBondContact NE2-OG 3.02Å; Q578-S724 PolarHBondContact OE1-OG 2.67Å |
| 579 | T | 80.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 17% | 0.172 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.3 | -25.6 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | C575 T576 P581 L722 F723 | C575-T579 WeakPolarHBondContact O-CB 3.37Å; C575-T579 VanDerWaalsContact O-CG2 3.3Å; C575-T579 WeakPolarHBondContact O-CG2 3.39Å; C575-T579 PolarHBondContact O-N 2.98Å; C575-T579 PolarHBondContact O-OG1 3.04Å; T576-T579 PolarHBondContact O-OG1 3.09Å; T576-T579 VanDerWaalsContact O-OG1 3.12Å; T579-P581 VanDerWaalsContact O-CD 3.3Å; T579-P581 WeakPolarHBondContact O-CD 3.43Å; T579-L722 HydrophobicContact CG2-CB 4.24Å; T579-F723 HydrophobicContact CG2-CB 4.25Å |
| 580 | N | 77.4 | Confident | 76 | Confident | 66.5 Ų | 66.5 | 42.1 Ų | 42.1 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | trans | -121.9 | 58 | -178.8 | -67 | -88 | 0 | 0 | 0 | 113.2 | T576 V577 C582 H583 | T576-N580 WeakPolarHBondContact O-CB 3.4Å; T576-N580 PolarHBondContact O-N 3.08Å; T576-N580 VanDerWaalsContact O-N 3.12Å; T576-N580 PolarHBondContact O-ND2 3.38Å; V577-N580 CarbonylContact O-C 3.36Å; V577-N580 PolarHBondContact O-N 3.08Å; N580-C582 PolarHBondContact O-N 3.09Å; N580-H583 PolarHBondContact O-N 3.06Å | ||
| 581 | P | 73.6 | Confident | 75.2 | Confident | 34.5 Ų | 34.5 | 48.7 Ų | 48.7 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10.4 | -168.8 | 28.7 | -37.8 | 0 | 0 | 0 | 115 | T579 I1005 S1123 P1124 | T579-P581 VanDerWaalsContact O-CD 3.3Å; T579-P581 WeakPolarHBondContact O-CD 3.43Å; P581-I1005 HydrophobicContact CG-CD1 4.25Å; P581-S1123 WeakPolarHBondContact O-CA 3.45Å; P581-S1123 VanDerWaalsContact O-CB 3.24Å; P581-S1123 WeakPolarHBondContact O-CB 3.32Å; P581-S1123 PolarHBondContact O-OG 3.06Å; P581-P1124 WeakPolarHBondContact O-CD 3.23Å |
| 582 | C | 70.3 | Confident | 74.5 | Confident | 43.5 Ų | 43.5 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 0.2 | 177.8 | -64 | 0 | 0 | 0 | 0 | 114.2 | N580 C1122 | N580-C582 PolarHBondContact O-N 3.09Å; C582-C1122 PolarHBondContact SG-O 3.36Å; C582-C1122 VanDerWaalsContact SG-SG 3.67Å |
| 583 | H | 68.1 | Low | 74.1 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.44 | 27% | 0.271 | S | S | . | . | trans | -140.4 | 103 | -176.1 | -175 | 62.4 | 0 | 0 | 0 | 112.5 | N580 | N580-H583 PolarHBondContact O-N 3.06Š| ||
| 584 | F | 67.7 | Low | 73.8 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -82.1 | 138.2 | 156.6 | -74.3 | -85.2 | 0 | 0 | 0 | 108.9 | I523 V577 E586 K593 C597 P1124 L1125 | I523-F584 HydrophobicContact CD1-CD2 4.49Å; I523-F584 HydrophobicContact CD1-CE2 3.9Å; I523-F584 HydrophobicContact CD1-CZ 4.31Å; V577-F584 HydrophobicContact CG1-CE1 4.06Å; V577-F584 HydrophobicContact CG1-CZ 4.11Å; V577-F584 HydrophobicContact CG2-CE1 4.17Å; F584-E586 PolarHBondContact O-N 3.16Å; F584-K593 HydrophobicContact CB-CD 4.32Å; F584-K593 HydrophobicContact CD1-CG 4.4Å; F584-K593 HydrophobicContact CG-CD 4.45Å; F584-C597 VanDerWaalsContact CZ-SG 3.55Å; F584-P1124 HydrophobicContact CD2-CB 4.46Å; F584-P1124 HydrophobicContact CD2-CG 4.26Å; F584-P1124 HydrophobicContact CE2-CB 4.21Å; F584-P1124 HydrophobicContact CE2-CG 4.33Å; F584-L1125 HydrophobicContact CE2-CD1 4.24Å; F584-L1125 HydrophobicContact CE2-CG 4.2Å; F584-L1125 HydrophobicContact CZ-CD1 4.13Å; F584-L1125 HydrophobicContact CZ-CD2 4.1Å; F584-L1125 HydrophobicContact CZ-CG 4.04Å | ||
| 585 | P | 60.2 | Low | 73.4 | Confident | 23.5 Ų | 23.5 | 53 Ų | 53 | 15% | 0.153 | 28% | 0.281 | C | S | . | . | trans | -65.6 | 132.8 | 176.9 | -7 | 19.3 | 0 | 0 | 0 | 110.1 | S587 V588 M692 | P585-S587 PolarHBondContact O-N 2.96Å; P585-S587 VanDerWaalsContact O-N 3.17Å; P585-V588 HydrophobicContact CB-CG2 3.92Å; P585-V588 HydrophobicContact CG-CG2 3.86Å; P585-V588 PolarHBondContact O-N 3.19Å; P585-V588 VanDerWaalsContact O-N 3.15Å; P585-M692 HydrophobicContact CB-CE 4.28Å; P585-M692 HydrophobicContact CB-SD 4.2Å; P585-M692 HydrophobicContact CG-CE 4.12Å; P585-M692 HydrophobicContact CG-SD 4.19Å | ||
| 586 | E | 58.7 | Low | 73.4 | Confident | 178 Ų | 178 | 53.3 Ų | 53.3 | 83% | 0.832 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.1 | -175.1 | -67.1 | 176.8 | 174.9 | 0 | 0 | 112.8 | F584 V588 | F584-E586 PolarHBondContact O-N 3.16Å; E586-V588 VanDerWaalsContact C-N 3.3Å; E586-V588 PolarHBondContact O-N 3.23Å |
| 587 | S | 57.5 | Low | 73.5 | Confident | 88.5 Ų | 88.5 | 51.6 Ų | 51.6 | 62% | 0.619 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.8 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 115.2 | P585 | P585-S587 PolarHBondContact O-N 2.96Å; P585-S587 VanDerWaalsContact O-N 3.17Å |
| 588 | V | 66.4 | Low | 73.7 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -84.3 | 128.4 | -175.8 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | P585 E586 Q592 K593 | P585-V588 HydrophobicContact CB-CG2 3.92Å; P585-V588 HydrophobicContact CG-CG2 3.86Å; P585-V588 PolarHBondContact O-N 3.19Å; P585-V588 VanDerWaalsContact O-N 3.15Å; E586-V588 VanDerWaalsContact C-N 3.3Å; E586-V588 PolarHBondContact O-N 3.23Å; V588-Q592 HydrophobicContact CG1-CB 3.69Å; V588-Q592 HydrophobicContact CG1-CG 3.7Å; V588-K593 HydrophobicContact CB-CG 4.01Å; V588-K593 HydrophobicContact CG1-CG 3.68Å; V588-K593 WeakPolarHBondContact O-CE 3.4Å; V588-K593 PolarHBondContact O-NZ 2.95Å |
| 589 | S | 72.3 | Confident | 74 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | trans | -61.3 | 149.2 | 176.4 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | R591 Q592 K593 | S589-R591 VanDerWaalsContact C-N 3.3Å; S589-R591 PolarHBondContact O-N 3.08Å; S589-Q592 PolarHBondContact O-N 3.32Å; S589-Q592 VanDerWaalsContact OG-CB 3.31Å; S589-Q592 WeakPolarHBondContact OG-CB 3.35Å; S589-Q592 PolarHBondContact OG-N 3.39Å; S589-K593 PolarHBondContact O-N 3.37Å | ||
| 590 | V | 71.5 | Confident | 74.4 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.7 | -43 | -177.3 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | C522 Q592 K593 Q594 | C522-V590 HydrophobicContact CB-CG1 3.75Å; C522-V590 WeakPolarHBondContact SG-CG1 3.35Å; V590-Q592 PolarHBondContact O-N 3.37Å; V590-K593 PolarHBondContact O-N 3.46Å; V590-Q594 PolarHBondContact O-N 3.19Å; V590-Q594 VanDerWaalsContact O-N 3.07Å |
| 591 | R | 70.1 | Confident | 75 | Confident | 141.5 Ų | 141.5 | 45 Ų | 45 | 53% | 0.534 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 175.8 | -179.5 | 174 | -82.3 | -178.8 | -2.5 | 112.6 | S589 Q594 T595 | S589-R591 VanDerWaalsContact C-N 3.3Å; S589-R591 PolarHBondContact O-N 3.08Å; R591-Q594 WeakPolarHBondContact O-CB 3.38Å; R591-Q594 PolarHBondContact O-N 3.21Å; R591-T595 PolarHBondContact O-N 3.35Å; R591-T595 VanDerWaalsContact O-N 3.11Å; R591-T595 PolarHBondContact O-OG1 3.21Å |
| 592 | Q | 75.9 | Confident | 75.9 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.2 | -33.7 | 177.1 | -174 | 179.1 | 11 | 0 | 0 | 112 | V588 S589 V590 Q594 T595 Q596 | V588-Q592 HydrophobicContact CG1-CB 3.69Å; V588-Q592 HydrophobicContact CG1-CG 3.7Å; S589-Q592 PolarHBondContact O-N 3.32Å; S589-Q592 VanDerWaalsContact OG-CB 3.31Å; S589-Q592 WeakPolarHBondContact OG-CB 3.35Å; S589-Q592 PolarHBondContact OG-N 3.39Å; V590-Q592 PolarHBondContact O-N 3.37Å; Q592-Q594 VanDerWaalsContact C-N 3.33Å; Q592-T595 PolarHBondContact O-N 3.12Å; Q592-T595 PolarHBondContact O-OG1 3.34Å; Q592-Q596 WeakPolarHBondContact O-CB 3.36Å; Q592-Q596 VanDerWaalsContact O-CG 3.25Å; Q592-Q596 WeakPolarHBondContact O-CG 3.33Å; Q592-Q596 PolarHBondContact O-N 2.97Å |
| 593 | K | 76.9 | Confident | 77 | Confident | 19.5 Ų | 19.5 | 41.5 Ų | 41.5 | 9% | 0.085 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 168.9 | -67.2 | 178.4 | -173.9 | 161 | 0 | 111.3 | N519 F584 V588 S589 V590 T595 Q596 C597 | N519-K593 PolarHBondContact ND2-NZ 2.94Å; N519-K593 VanDerWaalsContact OD1-CD 3.25Å; N519-K593 WeakPolarHBondContact OD1-CD 3.46Å; N519-K593 PolarHBondContact OD1-NZ 2.99Å; F584-K593 HydrophobicContact CB-CD 4.32Å; F584-K593 HydrophobicContact CD1-CG 4.4Å; F584-K593 HydrophobicContact CG-CD 4.45Å; V588-K593 HydrophobicContact CB-CG 4.01Å; V588-K593 HydrophobicContact CG1-CG 3.68Å; V588-K593 WeakPolarHBondContact O-CE 3.4Å; V588-K593 PolarHBondContact O-NZ 2.95Å; S589-K593 PolarHBondContact O-N 3.37Å; V590-K593 PolarHBondContact O-N 3.46Å; K593-T595 PolarHBondContact O-N 3.18Å; K593-Q596 PolarHBondContact O-N 3.29Å; K593-C597 PolarHBondContact O-N 2.98Å; K593-C597 PolarHBondContact O-SG 3Å |
| 594 | Q | 80.1 | Confident | 78.1 | Confident | 28.5 Ų | 28.5 | 39.7 Ų | 39.7 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.7 | -51.3 | 174.5 | -175.4 | -177 | -19.1 | 0 | 0 | 110.8 | E531 V590 R591 Q592 Q596 C597 V598 | E531-Q594 PolarHBondContact OE2-NE2 3.21Å; V590-Q594 PolarHBondContact O-N 3.19Å; V590-Q594 VanDerWaalsContact O-N 3.07Å; R591-Q594 WeakPolarHBondContact O-CB 3.38Å; R591-Q594 PolarHBondContact O-N 3.21Å; Q592-Q594 VanDerWaalsContact C-N 3.33Å; Q594-Q596 PolarHBondContact O-N 3.16Å; Q594-C597 PolarHBondContact O-N 3.41Å; Q594-C597 VanDerWaalsContact O-N 3.13Å; Q594-V598 WeakPolarHBondContact O-CG2 3.32Å; Q594-V598 PolarHBondContact O-N 3.04Å |
| 595 | T | 81 | Confident | 79.3 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.7 | -1.7 | 0 | 0 | 0 | 0 | 113 | W496 W573 R591 Q592 K593 C597 V598 A599 | W496-T595 HydrophobicContact CD2-CG2 4.3Å; W496-T595 HydrophobicContact CE3-CG2 3.84Å; W496-T595 HydrophobicContact CZ3-CG2 3.78Å; W573-T595 HydrophobicContact CE3-CG2 4.36Å; W573-T595 HydrophobicContact CH2-CG2 3.83Å; W573-T595 HydrophobicContact CZ3-CG2 3.57Å; R591-T595 PolarHBondContact O-N 3.35Å; R591-T595 VanDerWaalsContact O-N 3.11Å; R591-T595 PolarHBondContact O-OG1 3.21Å; Q592-T595 PolarHBondContact O-N 3.12Å; Q592-T595 PolarHBondContact O-OG1 3.34Å; K593-T595 PolarHBondContact O-N 3.18Å; T595-C597 VanDerWaalsContact C-N 3.33Å; T595-C597 PolarHBondContact O-N 2.83Å; T595-V598 PolarHBondContact O-N 3.28Å; T595-A599 WeakPolarHBondContact O-CB 3.38Å; T595-A599 PolarHBondContact O-N 3.11Å |
| 596 | Q | 85.2 | Confident | 81 | Confident | 15.5 Ų | 15.5 | 39.9 Ų | 39.9 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.6 | -74.5 | 171.9 | -10.1 | 0 | 0 | 112.4 | W573 Q592 K593 Q594 A599 V600 | W573-Q596 HydrophobicContact CB-CB 4.48Å; W573-Q596 HydrophobicContact CB-CG 4.2Å; W573-Q596 HydrophobicContact CD2-CB 4.49Å; W573-Q596 HydrophobicContact CD2-CG 3.75Å; W573-Q596 HydrophobicContact CE3-CG 4.36Å; W573-Q596 HydrophobicContact CG-CB 4.39Å; W573-Q596 HydrophobicContact CG-CG 3.64Å; Q592-Q596 WeakPolarHBondContact O-CB 3.36Å; Q592-Q596 VanDerWaalsContact O-CG 3.25Å; Q592-Q596 WeakPolarHBondContact O-CG 3.33Å; Q592-Q596 PolarHBondContact O-N 2.97Å; K593-Q596 PolarHBondContact O-N 3.29Å; Q594-Q596 PolarHBondContact O-N 3.16Å; Q596-A599 WeakPolarHBondContact O-CB 3.49Å; Q596-A599 PolarHBondContact O-N 2.92Å; Q596-V600 WeakPolarHBondContact O-CG2 3.4Å; Q596-V600 PolarHBondContact O-N 3.37Å |
| 597 | C | 85.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.3 | -43.9 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | S526 F584 K593 Q594 T595 A599 V600 W601 L1125 | S526-C597 WeakPolarHBondContact OG-CB 3.25Å; F584-C597 VanDerWaalsContact CZ-SG 3.55Å; K593-C597 PolarHBondContact O-N 2.98Å; K593-C597 PolarHBondContact O-SG 3Å; Q594-C597 PolarHBondContact O-N 3.41Å; Q594-C597 VanDerWaalsContact O-N 3.13Å; T595-C597 VanDerWaalsContact C-N 3.33Å; T595-C597 PolarHBondContact O-N 2.83Å; C597-A599 VanDerWaalsContact C-N 3.28Å; C597-A599 PolarHBondContact O-N 3.07Å; C597-V600 WeakPolarHBondContact O-CB 3.4Å; C597-V600 PolarHBondContact O-N 3.19Å; C597-V600 VanDerWaalsContact O-N 3.09Å; C597-W601 VanDerWaalsContact O-CG 3.25Å; C597-W601 PolarHBondContact O-N 3.26Å; C597-L1125 HydrophobicContact CB-CD2 4.28Å |
| 598 | V | 86.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | F495 W496 E531 Q594 T595 V600 W601 L602 | F495-V598 HydrophobicContact CE1-CG1 4.36Å; W496-V598 HydrophobicContact CH2-CB 3.76Å; W496-V598 HydrophobicContact CH2-CG1 3.57Å; W496-V598 HydrophobicContact CZ2-CB 4.49Å; W496-V598 HydrophobicContact CZ2-CG1 4.13Å; E531-V598 WeakPolarHBondContact O-CG1 3.36Å; Q594-V598 WeakPolarHBondContact O-CG2 3.32Å; Q594-V598 PolarHBondContact O-N 3.04Å; T595-V598 PolarHBondContact O-N 3.28Å; V598-V600 VanDerWaalsContact C-N 3.32Å; V598-V600 PolarHBondContact O-N 3.13Å; V598-W601 PolarHBondContact O-N 3.4Å; V598-L602 VanDerWaalsContact O-CB 3.29Å; V598-L602 WeakPolarHBondContact O-CB 3.14Å; V598-L602 PolarHBondContact O-N 2.93Å |
| 599 | A | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V570 W573 T595 Q596 C597 C603 | V570-A599 HydrophobicContact CG1-CB 3.96Å; W573-A599 HydrophobicContact CB-CB 4.39Å; W573-A599 HydrophobicContact CE3-CB 3.99Å; T595-A599 WeakPolarHBondContact O-CB 3.38Å; T595-A599 PolarHBondContact O-N 3.11Å; Q596-A599 WeakPolarHBondContact O-CB 3.49Å; Q596-A599 PolarHBondContact O-N 2.92Å; C597-A599 VanDerWaalsContact C-N 3.28Å; C597-A599 PolarHBondContact O-N 3.07Å; A599-C603 PolarHBondContact O-N 3.06Å; A599-C603 VanDerWaalsContact O-N 3.1Å; A599-C603 PolarHBondContact O-SG 3.15Å |
| 600 | V | 89.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -49.4 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | V577 Q596 C597 V598 L602 C603 E604 L1125 | V577-V600 HydrophobicContact CB-CG2 3.77Å; V577-V600 HydrophobicContact CG1-CG2 3.82Å; V577-V600 HydrophobicContact CG2-CG2 4.37Å; Q596-V600 WeakPolarHBondContact O-CG2 3.4Å; Q596-V600 PolarHBondContact O-N 3.37Å; C597-V600 WeakPolarHBondContact O-CB 3.4Å; C597-V600 PolarHBondContact O-N 3.19Å; C597-V600 VanDerWaalsContact O-N 3.09Å; V598-V600 VanDerWaalsContact C-N 3.32Å; V598-V600 PolarHBondContact O-N 3.13Å; V600-L602 VanDerWaalsContact C-N 3.32Å; V600-L602 PolarHBondContact O-N 3.25Å; V600-C603 PolarHBondContact O-N 3.25Å; V600-C603 VanDerWaalsContact O-N 3.14Å; V600-E604 HydrophobicContact CG1-CG 4.42Å; V600-E604 PolarHBondContact O-N 2.99Å; V600-L1125 HydrophobicContact CG1-CD1 4.38Å |
| 601 | W | 90.6 | Very high | 87.9 | Confident | 10.3333 Ų | 10.3333 | 25.6 Ų | 25.6 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | -178.8 | -56.5 | 139.6 | 0 | 0 | 0 | 112.7 | I523 S526 Y527 W536 C597 V598 E604 E605 L1125 K1129 | I523-W601 HydrophobicContact CG2-CZ2 4.31Å; S526-W601 PolarHBondContact OG-NE1 3.29Å; Y527-W601 AromaticContact CD2-CD2 3.67Å; Y527-W601 HydrophobicContact CD2-CD2 3.67Å; Y527-W601 AromaticContact CD2-CE2 3.55Å; Y527-W601 AromaticContact CD2-CE3 3.89Å; Y527-W601 HydrophobicContact CD2-CE3 3.96Å; Y527-W601 HydrophobicContact CD2-CG 4.17Å; Y527-W601 HydrophobicContact CD2-CH2 4.01Å; Y527-W601 AromaticContact CD2-CZ2 3.72Å; Y527-W601 HydrophobicContact CD2-CZ2 3.72Å; Y527-W601 HydrophobicContact CD2-CZ3 4.14Å; Y527-W601 AromaticContact CD2-NE1 3.98Å; Y527-W601 HydrophobicContact CE2-CD2 4.17Å; Y527-W601 AromaticContact CE2-CE3 3.99Å; Y527-W601 HydrophobicContact CE2-CE3 4.02Å; Y527-W601 HydrophobicContact CE2-CH2 4.34Å; Y527-W601 HydrophobicContact CE2-CZ2 4.43Å; Y527-W601 HydrophobicContact CE2-CZ3 4.13Å; W536-W601 HydrophobicContact CH2-CB 4.46Å; W536-W601 HydrophobicContact CZ2-CB 4.39Å; C597-W601 VanDerWaalsContact O-CG 3.25Å; C597-W601 PolarHBondContact O-N 3.26Å; V598-W601 PolarHBondContact O-N 3.4Å; W601-E604 PolarHBondContact O-N 3.12Å; W601-E605 PolarHBondContact O-N 3.41Å; W601-E605 VanDerWaalsContact O-N 3.12Å; W601-L1125 HydrophobicContact CH2-CB 3.85Å; W601-L1125 HydrophobicContact CH2-CD2 3.87Å; W601-L1125 HydrophobicContact CH2-CG 4.36Å; W601-L1125 HydrophobicContact CZ2-CB 4.31Å; W601-L1125 HydrophobicContact CZ2-CD2 3.66Å; W601-L1125 VanDerWaalsContact CZ2-CD2 3.48Å; W601-L1125 HydrophobicContact CZ2-CG 4.43Å; W601-K1129 HydrophobicContact CH2-CB 4.24Å; W601-K1129 HydrophobicContact CH2-CD 4.45Å; W601-K1129 HydrophobicContact CZ3-CD 4.01Å |
| 602 | L | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 176.1 | 178.3 | 64.6 | 0 | 0 | 0 | 111.8 | L535 W536 L539 I564 V598 V600 I606 | L535-L602 HydrophobicContact CD2-CD1 3.65Å; L535-L602 HydrophobicContact CD2-CD2 3.64Å; L535-L602 HydrophobicContact CD2-CG 4.28Å; L535-L602 HydrophobicContact CG-CD1 4.04Å; W536-L602 HydrophobicContact CZ2-CB 4.42Å; L539-L602 HydrophobicContact CD1-CD1 3.86Å; I564-L602 HydrophobicContact CD1-CD1 4.5Å; I564-L602 HydrophobicContact CD1-CD2 3.92Å; I564-L602 HydrophobicContact CD1-CG 4.22Å; V598-L602 VanDerWaalsContact O-CB 3.29Å; V598-L602 WeakPolarHBondContact O-CB 3.14Å; V598-L602 PolarHBondContact O-N 2.93Å; V600-L602 VanDerWaalsContact C-N 3.32Å; V600-L602 PolarHBondContact O-N 3.25Å; L602-I606 HydrophobicContact CD1-CD1 4.14Å; L602-I606 HydrophobicContact CG-CD1 4.1Å; L602-I606 WeakPolarHBondContact O-CD1 3.41Å; L602-I606 VanDerWaalsContact O-CG1 3.32Å; L602-I606 WeakPolarHBondContact O-CG1 3.33Å; L602-I606 PolarHBondContact O-N 3.21Å; L602-I606 VanDerWaalsContact O-N 3.14Å |
| 603 | C | 93.3 | Very high | 89.6 | Confident | 3.33333 Ų | 3.33333 | 15.1 Ų | 15.1 | 2% | 0.023 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.2 | -36.8 | 178.8 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | W574 A599 V600 E605 I606 V607 | W574-C603 HydrophobicContact CD2-CB 3.41Å; W574-C603 VanDerWaalsContact CD2-CB 3.42Å; W574-C603 VanDerWaalsContact CE2-CB 3.46Å; W574-C603 HydrophobicContact CE3-CB 3.72Å; W574-C603 HydrophobicContact CG-CB 3.83Å; W574-C603 HydrophobicContact CH2-CB 4.09Å; W574-C603 HydrophobicContact CZ2-CB 3.82Å; W574-C603 HydrophobicContact CZ3-CB 4.05Å; A599-C603 PolarHBondContact O-N 3.06Å; A599-C603 VanDerWaalsContact O-N 3.1Å; A599-C603 PolarHBondContact O-SG 3.15Å; V600-C603 PolarHBondContact O-N 3.25Å; V600-C603 VanDerWaalsContact O-N 3.14Å; C603-E605 VanDerWaalsContact C-N 3.34Å; C603-E605 PolarHBondContact O-N 3.32Å; C603-I606 PolarHBondContact O-N 3.12Å; C603-V607 WeakPolarHBondContact O-CG2 3.35Å; C603-V607 PolarHBondContact O-N 3.14Å |
| 604 | E | 91.5 | Very high | 90.2 | Very high | 57.6667 Ų | 57.6667 | 14.2 Ų | 14.2 | 27% | 0.269 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 173.3 | -76.4 | -166.5 | 164.6 | 0 | 0 | 111.9 | V600 W601 I606 V607 Q608 K1129 | V600-E604 HydrophobicContact CG1-CG 4.42Å; V600-E604 PolarHBondContact O-N 2.99Å; W601-E604 PolarHBondContact O-N 3.12Å; E604-I606 VanDerWaalsContact C-N 3.35Å; E604-I606 PolarHBondContact O-N 3.39Å; E604-V607 PolarHBondContact O-N 2.97Å; E604-Q608 PolarHBondContact O-N 3.22Å; E604-K1129 IonicContact OE1-NZ 3.07Å; E604-K1129 IonicContact OE2-NZ 3.03Å; E604-K1129 PolarHBondContact OE2-NZ 3.08Å |
| 605 | E | 92.8 | Very high | 90.6 | Very high | 47.3333 Ų | 47.3333 | 13 Ų | 13 | 22% | 0.221 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.8 | -35.5 | 178.9 | -107.3 | -59 | 177 | 0 | 0 | 112.4 | W536 R543 W601 C603 Q608 L609 | W536-E605 HydrophobicContact CH2-CB 4.29Å; W536-E605 HydrophobicContact CH2-CG 3.97Å; W536-E605 HydrophobicContact CZ3-CB 4.17Å; W536-E605 HydrophobicContact CZ3-CG 3.83Å; R543-E605 IonicContact CZ-OE2 3.77Å; R543-E605 IonicContact NH2-OE2 2.94Å; R543-E605 PolarHBondContact NH2-OE2 3.14Å; W601-E605 PolarHBondContact O-N 3.41Å; W601-E605 VanDerWaalsContact O-N 3.12Å; C603-E605 VanDerWaalsContact C-N 3.34Å; C603-E605 PolarHBondContact O-N 3.32Å; E605-Q608 PolarHBondContact O-N 3.27Å; E605-L609 HydrophobicContact CG-CD1 4.28Å; E605-L609 WeakPolarHBondContact O-CG 3.29Å; E605-L609 PolarHBondContact O-N 3.15Å |
| 606 | I | 95.2 | Very high | 90.9 | Very high | 4.66667 Ų | 4.66667 | 12.6 Ų | 12.6 | 2% | 0.024 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 173.8 | -72.1 | 164.9 | 0 | 0 | 0 | 111.2 | L539 L557 V560 T561 I564 L602 C603 E604 Q608 L609 W610 F726 | L539-I606 HydrophobicContact CD1-CG1 4.19Å; L539-I606 HydrophobicContact CD2-CG1 4.15Å; L557-I606 HydrophobicContact CD1-CG2 4.44Å; V560-I606 HydrophobicContact CG1-CD1 4.15Å; T561-I606 HydrophobicContact CG2-CG2 4.41Å; T561-I606 WeakPolarHBondContact OG1-CG2 3.27Å; I564-I606 HydrophobicContact CD1-CD1 3.28Å; L602-I606 HydrophobicContact CD1-CD1 4.14Å; L602-I606 HydrophobicContact CG-CD1 4.1Å; L602-I606 WeakPolarHBondContact O-CD1 3.41Å; L602-I606 VanDerWaalsContact O-CG1 3.32Å; L602-I606 WeakPolarHBondContact O-CG1 3.33Å; L602-I606 PolarHBondContact O-N 3.21Å; L602-I606 VanDerWaalsContact O-N 3.14Å; C603-I606 PolarHBondContact O-N 3.12Å; E604-I606 VanDerWaalsContact C-N 3.35Å; E604-I606 PolarHBondContact O-N 3.39Å; I606-Q608 VanDerWaalsContact C-N 3.3Å; I606-Q608 PolarHBondContact O-N 2.86Å; I606-L609 PolarHBondContact O-N 3.34Å; I606-W610 VanDerWaalsContact O-CD1 3.26Å; I606-W610 PolarHBondContact O-N 3.08Å; I606-F726 HydrophobicContact CG2-CE1 4.37Å |
| 607 | V | 95 | Very high | 90.7 | Very high | 10.3333 Ų | 10.3333 | 13 Ų | 13 | 6% | 0.063 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | W574 C603 E604 W610 S611 G725 F726 P728 A729 | W574-V607 HydrophobicContact CH2-CG2 3.73Å; W574-V607 HydrophobicContact CZ2-CG2 3.77Å; C603-V607 WeakPolarHBondContact O-CG2 3.35Å; C603-V607 PolarHBondContact O-N 3.14Å; E604-V607 PolarHBondContact O-N 2.97Å; V607-W610 PolarHBondContact O-N 3.23Å; V607-S611 WeakPolarHBondContact O-CB 3.28Å; V607-S611 PolarHBondContact O-N 2.95Å; V607-G725 WeakPolarHBondContact CG2-O 3.39Å; V607-F726 HydrophobicContact CG2-CD1 3.77Å; V607-F726 HydrophobicContact CG2-CE1 3.99Å; V607-F726 HydrophobicContact CG2-CG 4.14Å; V607-P728 HydrophobicContact CG1-CB 4.16Å; V607-P728 HydrophobicContact CG1-CG 4.22Å; V607-A729 HydrophobicContact CG1-CB 4.45Å |
| 608 | Q | 92.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 16.7 Ų | 16.7 | 23% | 0.234 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 174.3 | -169.4 | 178 | 46 | 0 | 0 | 111.7 | R543 E604 E605 I606 W610 S611 L612 | R543-Q608 VanDerWaalsContact NH2-OE1 3.11Å; E604-Q608 PolarHBondContact O-N 3.22Å; E605-Q608 PolarHBondContact O-N 3.27Å; I606-Q608 VanDerWaalsContact C-N 3.3Å; I606-Q608 PolarHBondContact O-N 2.86Å; Q608-W610 VanDerWaalsContact C-N 3.32Å; Q608-W610 PolarHBondContact O-N 3.17Å; Q608-S611 WeakPolarHBondContact O-CB 3.28Å; Q608-S611 PolarHBondContact O-N 3.02Å; Q608-L612 HydrophobicContact CG-CD1 4.2Å; Q608-L612 HydrophobicContact CG-CG 4.48Å; Q608-L612 VanDerWaalsContact O-CG 3.29Å; Q608-L612 WeakPolarHBondContact O-CG 3.39Å; Q608-L612 PolarHBondContact O-N 3.27Å |
| 609 | L | 94.5 | Very high | 90 | Very high | 0.666667 Ų | 0.666667 | 17.1 Ų | 17.1 | 0% | 0.003 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 176 | -73.4 | 171 | 0 | 0 | 0 | 112.1 | L539 I542 R543 M546 L557 E605 I606 L612 A613 | L539-L609 HydrophobicContact CB-CD1 4.05Å; L539-L609 HydrophobicContact CD1-CD1 4.49Å; L539-L609 HydrophobicContact CD2-CD1 3.87Å; L539-L609 HydrophobicContact CG-CD1 4.36Å; I542-L609 HydrophobicContact CG2-CD1 4.44Å; R543-L609 HydrophobicContact CB-CD2 4.05Å; R543-L609 HydrophobicContact CG-CD2 4.2Å; M546-L609 HydrophobicContact SD-CD2 4.39Å; L557-L609 HydrophobicContact CD1-CB 3.96Å; L557-L609 HydrophobicContact CD1-CD1 4.17Å; L557-L609 HydrophobicContact CD2-CB 3.95Å; E605-L609 HydrophobicContact CG-CD1 4.28Å; E605-L609 WeakPolarHBondContact O-CG 3.29Å; E605-L609 PolarHBondContact O-N 3.15Å; I606-L609 PolarHBondContact O-N 3.34Å; L609-L612 HydrophobicContact CD2-CD1 4.48Å; L609-L612 PolarHBondContact O-N 2.91Å; L609-A613 WeakPolarHBondContact O-CB 3.47Å; L609-A613 PolarHBondContact O-N 3.34Å |
| 610 | W | 95.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 172.4 | -86.2 | 112.5 | 0 | 0 | 0 | 112.7 | V554 L557 E558 T561 I606 V607 Q608 L612 A613 C614 I660 L664 F667 F726 A729 | V554-W610 HydrophobicContact CG1-CH2 4.31Å; V554-W610 HydrophobicContact CG1-CZ3 4.14Å; L557-W610 HydrophobicContact CB-CZ2 4.49Å; L557-W610 HydrophobicContact CD2-CB 4.47Å; L557-W610 HydrophobicContact CD2-CD2 3.68Å; L557-W610 HydrophobicContact CD2-CE3 4.14Å; L557-W610 HydrophobicContact CD2-CG 3.85Å; L557-W610 HydrophobicContact CD2-CZ2 4.28Å; L557-W610 HydrophobicContact CG-CD2 4.19Å; L557-W610 HydrophobicContact CG-CG 4.43Å; L557-W610 HydrophobicContact CG-CZ2 4.03Å; E558-W610 HydrophobicContact CB-CH2 4.32Å; E558-W610 HydrophobicContact CB-CZ2 4.28Å; T561-W610 PolarHBondContact OG1-NE1 3.29Å; I606-W610 VanDerWaalsContact O-CD1 3.26Å; I606-W610 PolarHBondContact O-N 3.08Å; V607-W610 PolarHBondContact O-N 3.23Å; Q608-W610 VanDerWaalsContact C-N 3.32Å; Q608-W610 PolarHBondContact O-N 3.17Å; W610-L612 VanDerWaalsContact C-N 3.29Å; W610-L612 PolarHBondContact O-N 3.03Å; W610-A613 PolarHBondContact O-N 3.07Å; W610-C614 PolarHBondContact O-N 3.09Å; W610-C614 PolarHBondContact O-SG 3.24Å; W610-I660 HydrophobicContact CE3-CG2 4.19Å; W610-I660 HydrophobicContact CZ3-CG2 4.03Å; W610-L664 HydrophobicContact CB-CD2 3.91Å; W610-L664 HydrophobicContact CD2-CD2 3.84Å; W610-L664 HydrophobicContact CE3-CD1 4.49Å; W610-L664 HydrophobicContact CE3-CD2 4.15Å; W610-L664 HydrophobicContact CE3-CG 4.43Å; W610-L664 HydrophobicContact CG-CD2 3.73Å; W610-F667 HydrophobicContact CH2-CE2 4.35Å; W610-F667 AromaticContact CZ2-CE2 3.76Å; W610-F667 HydrophobicContact CZ2-CE2 3.76Å; W610-F726 AromaticContact CD1-CE1 3.82Å; W610-A729 HydrophobicContact CB-CB 3.84Å |
| 611 | S | 93.1 | Very high | 87.7 | Confident | 24.6667 Ų | 24.6667 | 20.5 Ų | 20.5 | 17% | 0.172 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | V607 Q608 A613 C614 L615 A732 | V607-S611 WeakPolarHBondContact O-CB 3.28Å; V607-S611 PolarHBondContact O-N 2.95Å; Q608-S611 WeakPolarHBondContact O-CB 3.28Å; Q608-S611 PolarHBondContact O-N 3.02Å; S611-A613 PolarHBondContact O-N 2.99Å; S611-C614 WeakPolarHBondContact O-CB 3.17Å; S611-C614 PolarHBondContact O-N 2.9Å; S611-L615 VanDerWaalsContact O-CD1 3.28Å; S611-L615 WeakPolarHBondContact O-CD1 3.41Å; S611-L615 VanDerWaalsContact O-CG 3.24Å; S611-L615 WeakPolarHBondContact O-CG 3.29Å; S611-L615 PolarHBondContact O-N 3.09Å; S611-L615 VanDerWaalsContact O-N 3.08Å; S611-A732 WeakPolarHBondContact OG-CB 3.4Å |
| 612 | L | 91.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.4 | -65.3 | 169.2 | 0 | 0 | 0 | 112.5 | M546 Q608 L609 W610 C614 L615 Q838 T842 H843 | M546-L612 HydrophobicContact CE-CB 3.95Å; Q608-L612 HydrophobicContact CG-CD1 4.2Å; Q608-L612 HydrophobicContact CG-CG 4.48Å; Q608-L612 VanDerWaalsContact O-CG 3.29Å; Q608-L612 WeakPolarHBondContact O-CG 3.39Å; Q608-L612 PolarHBondContact O-N 3.27Å; L609-L612 HydrophobicContact CD2-CD1 4.48Å; L609-L612 PolarHBondContact O-N 2.91Å; W610-L612 VanDerWaalsContact C-N 3.29Å; W610-L612 PolarHBondContact O-N 3.03Å; L612-C614 VanDerWaalsContact C-N 3.34Å; L612-C614 PolarHBondContact O-N 2.85Å; L612-L615 CarbonylContact O-C 3.46Å; L612-L615 WeakPolarHBondContact O-CA 3.43Å; L612-L615 WeakPolarHBondContact O-CB 3.45Å; L612-L615 PolarHBondContact O-N 3.21Å; L612-L615 VanDerWaalsContact O-N 3.09Å; L612-Q838 HydrophobicContact CD2-CB 4.27Å; L612-Q838 HydrophobicContact CD2-CG 3.72Å; L612-T842 HydrophobicContact CB-CG2 4.1Å; L612-T842 HydrophobicContact CD1-CG2 4.11Å; L612-T842 HydrophobicContact CD2-CG2 3.76Å; L612-T842 HydrophobicContact CG-CG2 4.31Å; L612-H843 PolarHBondContact O-NE2 3.09Å |
| 613 | A | 90.9 | Very high | 83.4 | Confident | 4.33333 Ų | 4.33333 | 27.9 Ų | 27.9 | 4% | 0.036 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M546 V554 L609 W610 S611 L615 N616 | M546-A613 HydrophobicContact CE-CB 3.89Å; V554-A613 HydrophobicContact CG2-CB 4.39Å; L609-A613 WeakPolarHBondContact O-CB 3.47Å; L609-A613 PolarHBondContact O-N 3.34Å; W610-A613 PolarHBondContact O-N 3.07Å; S611-A613 PolarHBondContact O-N 2.99Å; A613-L615 PolarHBondContact O-N 3.06Å; A613-N616 PolarHBondContact O-N 3.04Å |
| 614 | C | 89.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -29.3 | 173.9 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | W610 S611 L612 N616 R620 L657 I660 L664 A732 C733 | W610-C614 PolarHBondContact O-N 3.09Å; W610-C614 PolarHBondContact O-SG 3.24Å; S611-C614 WeakPolarHBondContact O-CB 3.17Å; S611-C614 PolarHBondContact O-N 2.9Å; L612-C614 VanDerWaalsContact C-N 3.34Å; L612-C614 PolarHBondContact O-N 2.85Å; C614-N616 VanDerWaalsContact C-N 3.31Å; C614-N616 PolarHBondContact O-N 3.45Å; C614-R620 PolarHBondContact O-NH2 3.11Å; C614-L657 HydrophobicContact CB-CD1 4.43Å; C614-L657 WeakPolarHBondContact O-CD1 2.95Å; C614-I660 VanDerWaalsContact SG-CG2 3.52Å; C614-I660 WeakPolarHBondContact SG-CG2 3.42Å; C614-L664 WeakPolarHBondContact SG-CD1 3.36Å; C614-A732 HydrophobicContact CB-CB 4.21Å; C614-C733 PolarHBondContact SG-SG 3.13Å |
| 615 | L | 87.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 14.2 | -179.7 | -64.9 | 165.6 | 0 | 0 | 0 | 114 | S611 L612 A613 P617 A732 L735 W737 I835 A839 | S611-L615 VanDerWaalsContact O-CD1 3.28Å; S611-L615 WeakPolarHBondContact O-CD1 3.41Å; S611-L615 VanDerWaalsContact O-CG 3.24Å; S611-L615 WeakPolarHBondContact O-CG 3.29Å; S611-L615 PolarHBondContact O-N 3.09Å; S611-L615 VanDerWaalsContact O-N 3.08Å; L612-L615 CarbonylContact O-C 3.46Å; L612-L615 WeakPolarHBondContact O-CA 3.43Å; L612-L615 WeakPolarHBondContact O-CB 3.45Å; L612-L615 PolarHBondContact O-N 3.21Å; L612-L615 VanDerWaalsContact O-N 3.09Å; A613-L615 PolarHBondContact O-N 3.06Å; L615-P617 VanDerWaalsContact O-CD 3.29Å; L615-P617 WeakPolarHBondContact O-CD 3.27Å; L615-P617 VanDerWaalsContact O-N 3.13Å; L615-A732 HydrophobicContact CD1-CB 4.15Å; L615-A732 HydrophobicContact CD2-CB 4.15Å; L615-A732 HydrophobicContact CG-CB 4Å; L615-L735 HydrophobicContact CD2-CB 4.44Å; L615-L735 HydrophobicContact CD2-CD1 4.25Å; L615-W737 HydrophobicContact CB-CZ2 4.24Å; L615-W737 HydrophobicContact CD2-CH2 3.78Å; L615-W737 HydrophobicContact CD2-CZ2 3.77Å; L615-W737 WeakPolarHBondContact O-CZ2 3.41Å; L615-I835 HydrophobicContact CD1-CG2 3.72Å; L615-I835 HydrophobicContact CD2-CG2 3.85Å; L615-I835 HydrophobicContact CG-CG2 4.46Å; L615-A839 HydrophobicContact CB-CB 3.74Å; L615-A839 HydrophobicContact CD1-CB 4.49Å; L615-A839 WeakPolarHBondContact O-CB 3.38Å |
| 616 | N | 86.9 | Confident | 74.9 | Confident | 23.3333 Ų | 23.3333 | 40.8 Ų | 40.8 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | trans | -58.8 | 121 | 171.4 | -177.4 | -3.6 | 0 | 0 | 0 | 110.1 | A613 C614 E618 L619 H843 | A613-N616 PolarHBondContact O-N 3.04Å; C614-N616 VanDerWaalsContact C-N 3.31Å; C614-N616 PolarHBondContact O-N 3.45Å; N616-E618 PolarHBondContact ND2-OE2 3.18Å; N616-E618 PolarHBondContact O-N 3.05Å; N616-E618 VanDerWaalsContact O-N 3.17Å; N616-E618 WeakPolarHBondContact OD1-CB 3.27Å; N616-E618 WeakPolarHBondContact OD1-CG 3.32Å; N616-E618 PolarHBondContact OD1-N 3.06Å; N616-E618 PolarHBondContact OD1-OE2 3.36Å; N616-L619 HydrophobicContact CB-CD1 4.02Å; N616-L619 HydrophobicContact CB-CG 4.02Å; N616-L619 WeakPolarHBondContact O-CB 3.35Å; N616-L619 PolarHBondContact O-N 3.32Å; N616-L619 VanDerWaalsContact O-N 3.13Å; N616-H843 VanDerWaalsContact CA-CD2 3.49Å; N616-H843 WeakPolarHBondContact CA-CD2 3.19Å; N616-H843 WeakPolarHBondContact CA-NE2 3.29Å; N616-H843 PolarHBondContact N-NE2 3.31Å | ||
| 617 | P | 82.4 | Confident | 71.7 | Confident | 25.3333 Ų | 25.3333 | 47.6 Ų | 47.6 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -54.7 | -31.2 | 175.7 | -11 | 13.6 | 0 | 0 | 0 | 113.9 | L615 L619 R620 W737 L840 Y845 | L615-P617 VanDerWaalsContact O-CD 3.29Å; L615-P617 WeakPolarHBondContact O-CD 3.27Å; L615-P617 VanDerWaalsContact O-N 3.13Å; P617-L619 VanDerWaalsContact C-N 3.25Å; P617-L619 PolarHBondContact O-N 3.18Å; P617-R620 CarbonylContact O-C 3.59Å; P617-R620 PolarHBondContact O-N 3.07Å; P617-R620 VanDerWaalsContact O-N 3.09Å; P617-W737 HydrophobicContact CB-CD2 4.24Å; P617-W737 HydrophobicContact CB-CE3 4.17Å; P617-W737 HydrophobicContact CB-CH2 4.12Å; P617-W737 HydrophobicContact CB-CZ2 3.88Å; P617-W737 HydrophobicContact CB-CZ3 4.15Å; P617-W737 HydrophobicContact CG-CH2 3.89Å; P617-W737 HydrophobicContact CG-CZ2 4.22Å; P617-W737 HydrophobicContact CG-CZ3 3.91Å; P617-L840 HydrophobicContact CG-CD2 4.18Å; P617-Y845 HydrophobicContact CB-CE2 4.14Å; P617-Y845 HydrophobicContact CG-CD2 4.04Å; P617-Y845 HydrophobicContact CG-CE2 3.59Å |
| 618 | E | 79.2 | Confident | 68.6 | Low | 76 Ų | 76 | 55.5 Ų | 55.5 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -66 | -25.3 | -179.7 | -58.5 | 179.7 | 132.8 | 0 | 0 | 113.1 | Q549 N616 R620 C653 Y845 | Q549-E618 PolarHBondContact NE2-OE1 3.41Å; Q549-E618 PolarHBondContact NE2-OE2 3.33Å; Q549-E618 VanDerWaalsContact NE2-OE2 3.14Å; N616-E618 PolarHBondContact ND2-OE2 3.18Å; N616-E618 PolarHBondContact O-N 3.05Å; N616-E618 VanDerWaalsContact O-N 3.17Å; N616-E618 WeakPolarHBondContact OD1-CB 3.27Å; N616-E618 WeakPolarHBondContact OD1-CG 3.32Å; N616-E618 PolarHBondContact OD1-N 3.06Å; N616-E618 PolarHBondContact OD1-OE2 3.36Å; E618-R620 PolarHBondContact O-N 3.17Å; E618-C653 PolarHBondContact O-SG 3.16Å; E618-Y845 VanDerWaalsContact CG-OH 3.3Å; E618-Y845 WeakPolarHBondContact CG-OH 3.43Å |
| 619 | L | 77.3 | Confident | 65.6 | Low | 12.6667 Ų | 12.6667 | 62.8 Ų | 62.8 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -75.3 | -7.3 | 175.1 | -61.1 | 177.4 | 0 | 0 | 0 | 112.8 | N616 P617 L656 L657 I660 | N616-L619 HydrophobicContact CB-CD1 4.02Å; N616-L619 HydrophobicContact CB-CG 4.02Å; N616-L619 WeakPolarHBondContact O-CB 3.35Å; N616-L619 PolarHBondContact O-N 3.32Å; N616-L619 VanDerWaalsContact O-N 3.13Å; P617-L619 VanDerWaalsContact C-N 3.25Å; P617-L619 PolarHBondContact O-N 3.18Å; L619-L656 HydrophobicContact CD2-CB 4.05Å; L619-L656 HydrophobicContact CD2-CD2 3.57Å; L619-L656 HydrophobicContact CD2-CG 3.74Å; L619-L657 HydrophobicContact CB-CB 4.47Å; L619-L657 HydrophobicContact CD1-CD1 4.3Å; L619-I660 HydrophobicContact CD1-CD1 3.98Å |
| 620 | R | 73.2 | Confident | 62.4 | Low | 27 Ų | 27 | 67.5 Ų | 67.5 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -135.5 | 69.6 | -173 | -60.5 | -175.4 | -160 | 171.3 | 6.5 | 110.7 | C614 P617 E618 I622 L657 A732 C733 L735 W737 | C614-R620 PolarHBondContact O-NH2 3.11Å; P617-R620 CarbonylContact O-C 3.59Å; P617-R620 PolarHBondContact O-N 3.07Å; P617-R620 VanDerWaalsContact O-N 3.09Å; E618-R620 PolarHBondContact O-N 3.17Å; R620-I622 PolarHBondContact O-N 3.12Å; R620-L657 HydrophobicContact CG-CD2 4.08Å; R620-L657 VanDerWaalsContact NE-CD2 3.31Å; R620-A732 VanDerWaalsContact CZ-O 3.26Å; R620-A732 PolarHBondContact NH1-O 3.12Å; R620-A732 PolarHBondContact NH2-O 3.13Å; R620-C733 PolarHBondContact NH2-O 2.75Å; R620-L735 WeakPolarHBondContact CD-O 3.34Å; R620-L735 PolarHBondContact NE-O 3.26Å; R620-L735 VanDerWaalsContact NH1-C 3.29Å; R620-L735 PolarHBondContact NH1-O 3Å; R620-W737 VanDerWaalsContact CD-CD1 3.49Å |
| 621 | P | 56.4 | Low | 59.4 | Low | 47.6667 Ų | 47.6667 | 74.9 Ų | 74.9 | 31% | 0.31 | 39% | 0.391 | S | S | . | . | trans | -56.9 | 131 | 179.2 | 23.9 | -34.1 | 0 | 0 | 0 | 111.1 | L623 Y650 C653 | P621-L623 PolarHBondContact O-N 3.35Å; P621-Y650 HydrophobicContact CB-CD1 3.94Å; P621-Y650 HydrophobicContact CB-CD2 4.09Å; P621-Y650 HydrophobicContact CB-CE1 3.77Å; P621-Y650 HydrophobicContact CB-CE2 4.09Å; P621-Y650 HydrophobicContact CB-CG 4.34Å; P621-Y650 HydrophobicContact CG-CD1 3.81Å; P621-Y650 VanDerWaalsContact CG-CD1 3.48Å; P621-Y650 HydrophobicContact CG-CD2 3.89Å; P621-Y650 HydrophobicContact CG-CE1 4.03Å; P621-Y650 HydrophobicContact CG-CE2 3.87Å; P621-Y650 HydrophobicContact CG-CG 4Å; P621-Y650 PolarHBondContact O-OH 3.03Å; P621-C653 HydrophobicContact CG-CB 4Å | ||
| 622 | I | 52.5 | Low | 56.3 | Low | 70 Ų | 70 | 78.5 Ų | 78.5 | 36% | 0.359 | 42% | 0.416 | S | S | . | . | trans | -65.3 | 128 | -176.1 | -72 | 171.6 | 0 | 0 | 0 | 110.6 | R620 N624 Y650 S739 | R620-I622 PolarHBondContact O-N 3.12Å; I622-N624 VanDerWaalsContact C-N 3.28Å; I622-N624 WeakPolarHBondContact CG2-OD1 3.4Å; I622-N624 PolarHBondContact O-N 2.99Å; I622-N624 VanDerWaalsContact O-N 3.1Å; I622-Y650 VanDerWaalsContact C-OH 3.24Å; I622-Y650 PolarHBondContact O-OH 3.13Å; I622-S739 WeakPolarHBondContact CG2-OG 3.39Å | ||
| 623 | L | 40.8 | Very low | 53.5 | Low | 94.6667 Ų | 94.6667 | 84.4 Ų | 84.4 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | trans | -74.8 | 87.2 | 173.5 | -169 | 73.3 | 0 | 0 | 0 | 110.4 | P621 H625 Y650 | P621-L623 PolarHBondContact O-N 3.35Å; L623-H625 PolarHBondContact O-N 3.04Å; L623-H625 VanDerWaalsContact O-N 3.13Å; L623-Y650 VanDerWaalsContact CA-OH 3.25Å; L623-Y650 WeakPolarHBondContact CA-OH 3.4Å; L623-Y650 WeakPolarHBondContact CB-OH 3.18Å; L623-Y650 PolarHBondContact N-OH 2.76Å; L623-Y650 VanDerWaalsContact N-OH 3.1Å | ||
| 624 | N | 34.3 | Very low | 50.6 | Low | 118.667 Ų | 118.667 | 89.3 Ų | 89.3 | 64% | 0.635 | 49% | 0.489 | S | S | * | . | trans | -69.5 | 97.2 | 172.2 | -80.6 | -19.1 | 0 | 0 | 0 | 110.2 | I622 V626 | I622-N624 VanDerWaalsContact C-N 3.28Å; I622-N624 WeakPolarHBondContact CG2-OD1 3.4Å; I622-N624 PolarHBondContact O-N 2.99Å; I622-N624 VanDerWaalsContact O-N 3.1Å; N624-V626 HydrophobicContact CB-CG2 4.46Å; N624-V626 PolarHBondContact O-N 2.94Å | ||
| 625 | H | 31.3 | Very low | 47.9 | Very low | 145.667 Ų | 145.667 | 94.5 Ų | 94.5 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | trans | -62 | 100.4 | 168.2 | -82.4 | -75 | 0 | 0 | 0 | 110.6 | L623 N627 | L623-H625 PolarHBondContact O-N 3.04Å; L623-H625 VanDerWaalsContact O-N 3.13Å; H625-N627 PolarHBondContact O-N 3.49Å | ||
| 626 | V | 32.3 | Very low | 45.3 | Very low | 115 Ų | 115 | 99.3 Ų | 99.3 | 70% | 0.697 | 56% | 0.56 | S | S | * | * | trans | -85 | 102.9 | 168.9 | -179 | 0 | 0 | 0 | 0 | 109 | N624 H628 | N624-V626 HydrophobicContact CB-CG2 4.46Å; N624-V626 PolarHBondContact O-N 2.94Å; V626-H628 VanDerWaalsContact C-N 3.32Å; V626-H628 PolarHBondContact O-CD2 2.87Å; V626-H628 PolarHBondContact O-N 2.99Å | ||
| 627 | N | 29.1 | Very low | 42.3 | Very low | 146.667 Ų | 146.667 | 104.5 Ų | 104.5 | 78% | 0.784 | 60% | 0.596 | S | S | * | * | trans | -40.7 | 104.6 | 169.5 | -75.2 | -47.4 | 0 | 0 | 0 | 114.5 | H625 K629 | H625-N627 PolarHBondContact O-N 3.49Å; N627-K629 VanDerWaalsContact C-N 3.26Å; N627-K629 PolarHBondContact O-N 2.71Å | ||
| 628 | H | 29.6 | Very low | 39.8 | Very low | 178 Ų | 178 | 106.9 Ų | 106.9 | 82% | 0.824 | 63% | 0.626 | S | S | * | * | trans | -84.1 | 95 | 166.5 | -72.3 | -84.1 | 0 | 0 | 0 | 112.8 | V626 S630 | V626-H628 VanDerWaalsContact C-N 3.32Å; V626-H628 PolarHBondContact O-CD2 2.87Å; V626-H628 PolarHBondContact O-N 2.99Å; H628-S630 PolarHBondContact O-N 2.99Å | ||
| 629 | K | 28.9 | Very low | 37.4 | Very low | 202.333 Ų | 202.333 | 111.8 Ų | 111.8 | 88% | 0.88 | 65% | 0.654 | S | S | * | * | trans | -123.3 | 105.5 | 154 | -95.3 | -179.2 | 177.8 | 176.1 | 0 | 111.4 | N627 | N627-K629 VanDerWaalsContact C-N 3.26Å; N627-K629 PolarHBondContact O-N 2.71Å | ||
| 630 | S | 28.2 | Very low | 35 | Very low | 98.6667 Ų | 98.6667 | 114.3 Ų | 114.3 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | trans | -71.7 | 126.2 | 161.7 | 57 | 0 | 0 | 0 | 0 | 116.2 | H628 | H628-S630 PolarHBondContact O-N 2.99Š| ||
| 631 | L | 31.4 | Very low | 32.8 | Very low | 157.333 Ų | 157.333 | 120.6 Ų | 120.6 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | 173.3 | 129.8 | 123.6 | -115.5 | 65.6 | 0 | 0 | 0 | 116.6 | |||||
| 632 | S | 29.2 | Very low | 31.4 | Very low | 99.6667 Ų | 99.6667 | 127.7 Ų | 127.7 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | trans | 41.6 | 138.4 | 144.7 | 25.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 633 | P | 32.2 | Very low | 30.1 | Very low | 124.667 Ų | 124.667 | 129.5 Ų | 129.5 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -95.2 | 147.9 | 179.8 | 37.3 | -34.1 | 0 | 0 | 0 | 114.3 | ||||
| 634 | S | 30.4 | Very low | 29.5 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 160.3 | 134.5 | 155.9 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 635 | S | 32.7 | Very low | 29.2 | Very low | 109.667 Ų | 109.667 | 134.7 Ų | 134.7 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | 50.8 | 121.9 | 153 | 64 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 636 | S | 32.2 | Very low | 29 | Very low | 105.333 Ų | 105.333 | 134.9 Ų | 134.9 | 74% | 0.737 | 80% | 0.796 | S | S | * | * | trans | 66.4 | 102.8 | 136.8 | 157.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 637 | C | 25.8 | Very low | 28.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | 85.1 | 130.1 | 125.2 | -24.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 638 | G | 29.4 | Very low | 29.1 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 149.7 | 88.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 639 | N | 29 | Very low | 29.6 | Very low | 178.333 Ų | 178.333 | 130.7 Ų | 130.7 | 95% | 0.954 | 78% | 0.781 | S | S | * | * | trans | -55.5 | 130.4 | 171.1 | -65.7 | -13.7 | 0 | 0 | 0 | 113.1 | ||||
| 640 | G | 26.9 | Very low | 30.4 | Very low | 64.6667 Ų | 64.6667 | 126.1 Ų | 126.1 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | trans | -161.3 | 128.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F642 | G640-F642 PolarHBondContact O-N 3.19Š| ||
| 641 | L | 26.9 | Very low | 31.4 | Very low | 159.667 Ų | 159.667 | 125.1 Ų | 125.1 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -49.7 | 143.2 | -173.6 | -80.3 | 60.1 | 0 | 0 | 0 | 114.8 | ||
| 642 | F | 25.9 | Very low | 32.3 | Very low | 197 Ų | 197 | 121.7 Ų | 121.7 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | 102.2 | 122 | 166.5 | -66.7 | -79.7 | 0 | 0 | 0 | 113.5 | G640 T644 | G640-F642 PolarHBondContact O-N 3.19Å; F642-T644 PolarHBondContact O-N 3.39Å | ||
| 643 | S | 26.3 | Very low | 33.7 | Very low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -141.1 | 110.5 | -178.1 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | E645 | S643-E645 VanDerWaalsContact C-N 3.28Å; S643-E645 PolarHBondContact O-N 3.25Å | ||
| 644 | T | 27.4 | Very low | 35.2 | Very low | 135.333 Ų | 135.333 | 114.7 Ų | 114.7 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | trans | -88.8 | 74.9 | 133.6 | 45.4 | 0 | 0 | 0 | 0 | 114.3 | F642 | F642-T644 PolarHBondContact O-N 3.39Š| ||
| 645 | E | 28.8 | Very low | 37.2 | Very low | 188.333 Ų | 188.333 | 115 Ų | 115 | 88% | 0.88 | 67% | 0.673 | S | S | * | * | trans | -127.7 | 26.4 | 175 | -69.9 | -163.8 | 149.1 | 0 | 0 | 114.5 | S643 | S643-E645 VanDerWaalsContact C-N 3.28Å; S643-E645 PolarHBondContact O-N 3.25Å | ||
| 646 | N | 27.3 | Very low | 39.4 | Very low | 148.667 Ų | 148.667 | 111.9 Ų | 111.9 | 80% | 0.795 | 65% | 0.648 | S | S | * | * | trans | -131.4 | 29.1 | -177.3 | -115.2 | -9.3 | 0 | 0 | 0 | 116.1 | K648 | N646-K648 VanDerWaalsContact C-N 3.34Å; N646-K648 PolarHBondContact O-N 2.99Å | ||
| 647 | C | 26.2 | Very low | 41.7 | Very low | 118.667 Ų | 118.667 | 107.8 Ų | 107.8 | 80% | 0.802 | 62% | 0.617 | S | S | * | * | trans | -92 | 65.1 | 179.6 | -74.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 648 | K | 35.5 | Very low | 44.1 | Very low | 162.667 Ų | 162.667 | 105 Ų | 105 | 71% | 0.707 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -27.1 | 167.7 | -73.8 | -175.3 | 176.1 | 178.7 | 0 | 114.3 | N646 Y650 S651 | N646-K648 VanDerWaalsContact C-N 3.34Å; N646-K648 PolarHBondContact O-N 2.99Å; K648-Y650 VanDerWaalsContact C-N 3.25Å; K648-Y650 PolarHBondContact O-N 3.33Å; K648-Y650 VanDerWaalsContact O-N 3.11Å; K648-S651 WeakPolarHBondContact O-CB 3.3Å; K648-S651 PolarHBondContact O-N 2.97Å; K648-S651 VanDerWaalsContact O-N 3.12Å |
| 649 | S | 41.1 | Very low | 46.7 | Very low | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -56.2 | -25.6 | -171.6 | 52.7 | 0 | 0 | 0 | 0 | 116 | S651 D652 C653 | S649-S651 VanDerWaalsContact C-N 3.31Å; S649-S651 PolarHBondContact O-N 3.19Å; S649-D652 PolarHBondContact O-N 3.4Å; S649-C653 PolarHBondContact O-N 2.76Å; S649-C653 PolarHBondContact O-SG 3.47Å; S649-C653 VanDerWaalsContact O-SG 3.35Å |
| 650 | Y | 44.7 | Very low | 49.4 | Very low | 105.667 Ų | 105.667 | 96.7 Ų | 96.7 | 41% | 0.414 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | 177.5 | -97.3 | -91.1 | 0 | 0 | 0 | 113 | P621 I622 L623 K648 D652 C654 | P621-Y650 HydrophobicContact CB-CD1 3.94Å; P621-Y650 HydrophobicContact CB-CD2 4.09Å; P621-Y650 HydrophobicContact CB-CE1 3.77Å; P621-Y650 HydrophobicContact CB-CE2 4.09Å; P621-Y650 HydrophobicContact CB-CG 4.34Å; P621-Y650 HydrophobicContact CG-CD1 3.81Å; P621-Y650 VanDerWaalsContact CG-CD1 3.48Å; P621-Y650 HydrophobicContact CG-CD2 3.89Å; P621-Y650 HydrophobicContact CG-CE1 4.03Å; P621-Y650 HydrophobicContact CG-CE2 3.87Å; P621-Y650 HydrophobicContact CG-CG 4Å; P621-Y650 PolarHBondContact O-OH 3.03Å; I622-Y650 VanDerWaalsContact C-OH 3.24Å; I622-Y650 PolarHBondContact O-OH 3.13Å; L623-Y650 VanDerWaalsContact CA-OH 3.25Å; L623-Y650 WeakPolarHBondContact CA-OH 3.4Å; L623-Y650 WeakPolarHBondContact CB-OH 3.18Å; L623-Y650 PolarHBondContact N-OH 2.76Å; L623-Y650 VanDerWaalsContact N-OH 3.1Å; K648-Y650 VanDerWaalsContact C-N 3.25Å; K648-Y650 PolarHBondContact O-N 3.33Å; K648-Y650 VanDerWaalsContact O-N 3.11Å; Y650-D652 VanDerWaalsContact C-N 3.32Å; Y650-C654 PolarHBondContact O-N 3.15Å; Y650-C654 PolarHBondContact O-SG 2.74Å |
| 651 | S | 50.2 | Low | 52.2 | Low | 77.6667 Ų | 77.6667 | 93.8 Ų | 93.8 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.9 | -37.1 | 177.6 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | K648 S649 C653 C654 W655 | K648-S651 WeakPolarHBondContact O-CB 3.3Å; K648-S651 PolarHBondContact O-N 2.97Å; K648-S651 VanDerWaalsContact O-N 3.12Å; S649-S651 VanDerWaalsContact C-N 3.31Å; S649-S651 PolarHBondContact O-N 3.19Å; S651-C653 PolarHBondContact O-N 2.98Å; S651-C654 PolarHBondContact O-N 2.98Å; S651-W655 WeakPolarHBondContact O-CB 3.5Å; S651-W655 PolarHBondContact O-N 2.96Å |
| 652 | D | 50.5 | Low | 54.9 | Low | 85.6667 Ų | 85.6667 | 90.9 Ų | 90.9 | 46% | 0.458 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.6 | -33.6 | -175.6 | -64.2 | -42.5 | 0 | 0 | 0 | 113.2 | S649 Y650 C654 W655 L656 | S649-D652 PolarHBondContact O-N 3.4Å; Y650-D652 VanDerWaalsContact C-N 3.32Å; D652-C654 VanDerWaalsContact C-N 3.26Å; D652-C654 PolarHBondContact O-N 3.21Å; D652-W655 VanDerWaalsContact CA-CD1 3.47Å; D652-W655 PolarHBondContact O-NE1 3.22Å; D652-W655 PolarHBondContact OD1-NE1 3.43Å; D652-L656 PolarHBondContact O-N 3.26Å |
| 653 | C | 58.4 | Low | 57.9 | Low | 22.6667 Ų | 22.6667 | 83.4 Ų | 83.4 | 15% | 0.153 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 173.4 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | E618 P621 S649 S651 W655 L656 L657 | E618-C653 PolarHBondContact O-SG 3.16Å; P621-C653 HydrophobicContact CG-CB 4Å; S649-C653 PolarHBondContact O-N 2.76Å; S649-C653 PolarHBondContact O-SG 3.47Å; S649-C653 VanDerWaalsContact O-SG 3.35Å; S651-C653 PolarHBondContact O-N 2.98Å; C653-W655 PolarHBondContact O-N 2.91Å; C653-L656 PolarHBondContact O-N 3.2Å; C653-L657 PolarHBondContact O-N 3.2Å; C653-L657 VanDerWaalsContact O-N 3.15Å |
| 654 | C | 64 | Low | 60.9 | Low | 56.3333 Ų | 56.3333 | 78.3 Ų | 78.3 | 38% | 0.381 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | -178 | -99.4 | 0 | 0 | 0 | 0 | 112.5 | Y650 S651 D652 L656 L657 Q658 | Y650-C654 PolarHBondContact O-N 3.15Å; Y650-C654 PolarHBondContact O-SG 2.74Å; S651-C654 PolarHBondContact O-N 2.98Å; D652-C654 VanDerWaalsContact C-N 3.26Å; D652-C654 PolarHBondContact O-N 3.21Å; C654-L656 VanDerWaalsContact C-N 3.28Å; C654-L656 PolarHBondContact O-N 3.29Å; C654-L657 PolarHBondContact O-N 3.19Å; C654-Q658 VanDerWaalsContact O-CB 3.27Å; C654-Q658 WeakPolarHBondContact O-CB 3.39Å; C654-Q658 PolarHBondContact O-N 3Å |
| 655 | W | 72.2 | Confident | 63.7 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 43% | 0.432 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -31.4 | 178.2 | 106.8 | -86.2 | 0 | 0 | 0 | 112.8 | S651 D652 C653 Q658 K659 | S651-W655 WeakPolarHBondContact O-CB 3.5Å; S651-W655 PolarHBondContact O-N 2.96Å; D652-W655 VanDerWaalsContact CA-CD1 3.47Å; D652-W655 PolarHBondContact O-NE1 3.22Å; D652-W655 PolarHBondContact OD1-NE1 3.43Å; C653-W655 PolarHBondContact O-N 2.91Å; W655-Q658 WeakPolarHBondContact O-CB 3.25Å; W655-Q658 PolarHBondContact O-N 2.87Å; W655-K659 HydrophobicContact CD2-CD 4.09Å; W655-K659 HydrophobicContact CD2-CG 4.46Å; W655-K659 HydrophobicContact CE3-CD 3.86Å; W655-K659 HydrophobicContact CE3-CG 4.12Å; W655-K659 HydrophobicContact CH2-CD 3.75Å; W655-K659 HydrophobicContact CZ2-CD 3.69Å; W655-K659 HydrophobicContact CZ3-CD 3.79Å; W655-K659 VanDerWaalsContact CZ3-NZ 3.29Å; W655-K659 WeakPolarHBondContact O-CB 3.38Å; W655-K659 PolarHBondContact O-N 3.2Å |
| 656 | L | 78.1 | Confident | 66.6 | Low | 45 Ų | 45 | 66.4 Ų | 66.4 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.4 | -43.1 | 179.8 | -176.7 | 53 | 0 | 0 | 0 | 111.1 | M296 L619 D652 C653 C654 Q658 K659 I660 | M296-L656 HydrophobicContact SD-CD1 4.05Å; L619-L656 HydrophobicContact CD2-CB 4.05Å; L619-L656 HydrophobicContact CD2-CD2 3.57Å; L619-L656 HydrophobicContact CD2-CG 3.74Å; D652-L656 PolarHBondContact O-N 3.26Å; C653-L656 PolarHBondContact O-N 3.2Å; C654-L656 VanDerWaalsContact C-N 3.28Å; C654-L656 PolarHBondContact O-N 3.29Å; L656-Q658 VanDerWaalsContact C-N 3.32Å; L656-Q658 PolarHBondContact O-N 2.89Å; L656-K659 PolarHBondContact O-N 3.28Å; L656-I660 HydrophobicContact CD1-CD1 4.41Å; L656-I660 HydrophobicContact CG-CD1 4.33Å; L656-I660 VanDerWaalsContact O-CG1 3.3Å; L656-I660 WeakPolarHBondContact O-CG1 3.3Å; L656-I660 PolarHBondContact O-N 3.12Å |
| 657 | L | 82.2 | Confident | 69.6 | Low | 18.3333 Ų | 18.3333 | 59.7 Ų | 59.7 | 10% | 0.096 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 172.1 | -174.8 | 61.7 | 0 | 0 | 0 | 111.8 | C614 L619 R620 C653 C654 I660 A661 C733 | C614-L657 HydrophobicContact CB-CD1 4.43Å; C614-L657 WeakPolarHBondContact O-CD1 2.95Å; L619-L657 HydrophobicContact CB-CB 4.47Å; L619-L657 HydrophobicContact CD1-CD1 4.3Å; R620-L657 HydrophobicContact CG-CD2 4.08Å; R620-L657 VanDerWaalsContact NE-CD2 3.31Å; C653-L657 PolarHBondContact O-N 3.2Å; C653-L657 VanDerWaalsContact O-N 3.15Å; C654-L657 PolarHBondContact O-N 3.19Å; L657-I660 PolarHBondContact O-N 3.08Å; L657-A661 WeakPolarHBondContact O-CB 3.32Å; L657-A661 PolarHBondContact O-N 3.11Å; L657-C733 HydrophobicContact CD1-CB 4.36Å |
| 658 | Q | 75.9 | Confident | 72.7 | Confident | 73.6667 Ų | 73.6667 | 54.7 Ų | 54.7 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 173.7 | -175 | -166.4 | 4.1 | 0 | 0 | 112 | C654 W655 L656 I660 A661 H662 Y809 | C654-Q658 VanDerWaalsContact O-CB 3.27Å; C654-Q658 WeakPolarHBondContact O-CB 3.39Å; C654-Q658 PolarHBondContact O-N 3Å; W655-Q658 WeakPolarHBondContact O-CB 3.25Å; W655-Q658 PolarHBondContact O-N 2.87Å; L656-Q658 VanDerWaalsContact C-N 3.32Å; L656-Q658 PolarHBondContact O-N 2.89Å; Q658-I660 VanDerWaalsContact C-N 3.33Å; Q658-I660 PolarHBondContact O-N 3.07Å; Q658-A661 WeakPolarHBondContact O-CB 3.48Å; Q658-A661 PolarHBondContact O-N 3.19Å; Q658-H662 PolarHBondContact O-N 3.24Å; Q658-Y809 VanDerWaalsContact CD-CD1 3.44Å; Q658-Y809 HydrophobicContact CG-CD1 4.06Å; Q658-Y809 HydrophobicContact CG-CD2 4.46Å; Q658-Y809 HydrophobicContact CG-CE1 3.41Å; Q658-Y809 VanDerWaalsContact CG-CE1 3.41Å; Q658-Y809 HydrophobicContact CG-CE2 4.02Å; Q658-Y809 HydrophobicContact CG-CG 4.43Å; Q658-Y809 VanDerWaalsContact CG-CZ 3.45Å; Q658-Y809 VanDerWaalsContact NE2-CZ 3.34Å |
| 659 | K | 82.7 | Confident | 75.1 | Confident | 74.6667 Ų | 74.6667 | 49.3 Ų | 49.3 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.7 | -111 | -175.5 | 176 | 176.7 | 0 | 112.1 | M296 W655 L656 H662 R663 | M296-K659 PolarHBondContact O-NZ 2.91Å; W655-K659 HydrophobicContact CD2-CD 4.09Å; W655-K659 HydrophobicContact CD2-CG 4.46Å; W655-K659 HydrophobicContact CE3-CD 3.86Å; W655-K659 HydrophobicContact CE3-CG 4.12Å; W655-K659 HydrophobicContact CH2-CD 3.75Å; W655-K659 HydrophobicContact CZ2-CD 3.69Å; W655-K659 HydrophobicContact CZ3-CD 3.79Å; W655-K659 VanDerWaalsContact CZ3-NZ 3.29Å; W655-K659 WeakPolarHBondContact O-CB 3.38Å; W655-K659 PolarHBondContact O-N 3.2Å; L656-K659 PolarHBondContact O-N 3.28Å; K659-H662 PolarHBondContact O-N 3.21Å; K659-R663 WeakPolarHBondContact O-CB 3.34Å; K659-R663 WeakPolarHBondContact O-CD 3.26Å; K659-R663 VanDerWaalsContact O-CG 3.25Å; K659-R663 WeakPolarHBondContact O-CG 3.46Å; K659-R663 PolarHBondContact O-N 3.12Å; K659-R663 VanDerWaalsContact O-N 3.12Å |
| 660 | I | 86.3 | Confident | 77.3 | Confident | 5.66667 Ų | 5.66667 | 48.2 Ų | 48.2 | 3% | 0.029 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 174.3 | -67.4 | 163.7 | 0 | 0 | 0 | 110.5 | M296 W610 C614 L619 L656 L657 Q658 H662 R663 L664 | M296-I660 HydrophobicContact CE-CG1 4Å; W610-I660 HydrophobicContact CE3-CG2 4.19Å; W610-I660 HydrophobicContact CZ3-CG2 4.03Å; C614-I660 VanDerWaalsContact SG-CG2 3.52Å; C614-I660 WeakPolarHBondContact SG-CG2 3.42Å; L619-I660 HydrophobicContact CD1-CD1 3.98Å; L656-I660 HydrophobicContact CD1-CD1 4.41Å; L656-I660 HydrophobicContact CG-CD1 4.33Å; L656-I660 VanDerWaalsContact O-CG1 3.3Å; L656-I660 WeakPolarHBondContact O-CG1 3.3Å; L656-I660 PolarHBondContact O-N 3.12Å; L657-I660 PolarHBondContact O-N 3.08Å; Q658-I660 VanDerWaalsContact C-N 3.33Å; Q658-I660 PolarHBondContact O-N 3.07Å; I660-H662 PolarHBondContact O-N 3.1Å; I660-R663 WeakPolarHBondContact O-CB 3.45Å; I660-R663 PolarHBondContact O-N 3.21Å; I660-L664 HydrophobicContact CG2-CD1 3.91Å; I660-L664 HydrophobicContact CG2-CG 4.42Å; I660-L664 WeakPolarHBondContact O-CG 3.31Å; I660-L664 PolarHBondContact O-N 3.3Å |
| 661 | A | 85.8 | Confident | 79.4 | Confident | 2.33333 Ų | 2.33333 | 43.2 Ų | 43.2 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L657 Q658 R663 L664 Q665 L730 C733 W810 | L657-A661 WeakPolarHBondContact O-CB 3.32Å; L657-A661 PolarHBondContact O-N 3.11Å; Q658-A661 WeakPolarHBondContact O-CB 3.48Å; Q658-A661 PolarHBondContact O-N 3.19Å; A661-R663 VanDerWaalsContact C-N 3.33Å; A661-R663 PolarHBondContact O-N 3.44Å; A661-L664 PolarHBondContact O-N 3.24Å; A661-L664 VanDerWaalsContact O-N 3.15Å; A661-Q665 WeakPolarHBondContact O-CG 3.38Å; A661-Q665 PolarHBondContact O-N 3.16Å; A661-L730 HydrophobicContact CB-CD2 4.44Å; A661-L730 WeakPolarHBondContact O-CD2 3.42Å; A661-C733 HydrophobicContact CB-CB 4.29Å; A661-W810 HydrophobicContact CB-CH2 3.59Å; A661-W810 HydrophobicContact CB-CZ3 3.93Å |
| 662 | H | 84.3 | Confident | 81 | Confident | 99.3333 Ų | 99.3333 | 40.9 Ų | 40.9 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 175.9 | -177.6 | -85.8 | 0 | 0 | 0 | 112.2 | W307 Q658 K659 I660 Q665 A666 | W307-H662 AromaticContact CD1-CE1 3.8Å; W307-H662 AromaticContact NE1-CE1 3.73Å; Q658-H662 PolarHBondContact O-N 3.24Å; K659-H662 PolarHBondContact O-N 3.21Å; I660-H662 PolarHBondContact O-N 3.1Å; H662-Q665 PolarHBondContact O-N 3.08Å; H662-A666 WeakPolarHBondContact O-CB 3.33Å; H662-A666 PolarHBondContact O-N 3.14Å |
| 663 | R | 87.1 | Confident | 82.6 | Confident | 40.3333 Ų | 40.3333 | 42.6 Ų | 42.6 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 171.9 | -79.9 | -102.1 | -179.4 | -121.5 | -13.7 | 112 | Q294 M296 E558 K659 I660 A661 Q665 A666 F667 | Q294-R663 PolarHBondContact O-NH2 3.06Å; M296-R663 HydrophobicContact CE-CB 4.49Å; M296-R663 HydrophobicContact CE-CG 3.86Å; E558-R663 VanDerWaalsContact OE1-CD 3.26Å; E558-R663 WeakPolarHBondContact OE1-CD 3.45Å; E558-R663 IonicContact OE1-CZ 3.36Å; E558-R663 IonicContact OE1-NE 3.95Å; E558-R663 PolarHBondContact OE1-NE 3.23Å; E558-R663 IonicContact OE1-NH2 2.61Å; K659-R663 WeakPolarHBondContact O-CB 3.34Å; K659-R663 WeakPolarHBondContact O-CD 3.26Å; K659-R663 VanDerWaalsContact O-CG 3.25Å; K659-R663 WeakPolarHBondContact O-CG 3.46Å; K659-R663 PolarHBondContact O-N 3.12Å; K659-R663 VanDerWaalsContact O-N 3.12Å; I660-R663 WeakPolarHBondContact O-CB 3.45Å; I660-R663 PolarHBondContact O-N 3.21Å; A661-R663 VanDerWaalsContact C-N 3.33Å; A661-R663 PolarHBondContact O-N 3.44Å; R663-Q665 PolarHBondContact O-N 2.94Å; R663-A666 PolarHBondContact O-N 3.14Å; R663-F667 HydrophobicContact CB-CE2 4.21Å; R663-F667 HydrophobicContact CB-CZ 4.33Å; R663-F667 WeakPolarHBondContact O-CD2 3.27Å; R663-F667 WeakPolarHBondContact O-CG 3.29Å; R663-F667 PolarHBondContact O-N 3.08Å |
| 664 | L | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 178.3 | -73.8 | 168.8 | 0 | 0 | 0 | 113.1 | W610 C614 I660 A661 F667 H668 F726 A729 L730 | W610-L664 HydrophobicContact CB-CD2 3.91Å; W610-L664 HydrophobicContact CD2-CD2 3.84Å; W610-L664 HydrophobicContact CE3-CD1 4.49Å; W610-L664 HydrophobicContact CE3-CD2 4.15Å; W610-L664 HydrophobicContact CE3-CG 4.43Å; W610-L664 HydrophobicContact CG-CD2 3.73Å; C614-L664 WeakPolarHBondContact SG-CD1 3.36Å; I660-L664 HydrophobicContact CG2-CD1 3.91Å; I660-L664 HydrophobicContact CG2-CG 4.42Å; I660-L664 WeakPolarHBondContact O-CG 3.31Å; I660-L664 PolarHBondContact O-N 3.3Å; A661-L664 PolarHBondContact O-N 3.24Å; A661-L664 VanDerWaalsContact O-N 3.15Å; L664-F667 HydrophobicContact CD2-CD2 4.34Å; L664-F667 PolarHBondContact O-N 3.16Å; L664-H668 WeakPolarHBondContact O-CB 3.34Å; L664-H668 PolarHBondContact O-N 3.4Å; L664-F726 HydrophobicContact CD2-CB 4.25Å; L664-F726 HydrophobicContact CD2-CD1 3.62Å; L664-F726 HydrophobicContact CD2-CE1 4.38Å; L664-F726 HydrophobicContact CD2-CG 4.25Å; L664-A729 HydrophobicContact CD1-CB 3.84Å; L664-A729 HydrophobicContact CD2-CB 4.02Å; L664-A729 HydrophobicContact CG-CB 4.5Å; L664-L730 HydrophobicContact CB-CD2 3.49Å; L664-L730 VanDerWaalsContact CB-CD2 3.46Å; L664-L730 HydrophobicContact CB-CG 3.87Å; L664-L730 HydrophobicContact CD1-CD2 4.43Å |
| 665 | Q | 86.9 | Confident | 84.6 | Confident | 36.6667 Ų | 36.6667 | 39.2 Ų | 39.2 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 170.2 | -73.9 | 168.6 | -21.5 | 0 | 0 | 110.7 | A661 H662 R663 F667 H668 A669 L730 | A661-Q665 WeakPolarHBondContact O-CG 3.38Å; A661-Q665 PolarHBondContact O-N 3.16Å; H662-Q665 PolarHBondContact O-N 3.08Å; R663-Q665 PolarHBondContact O-N 2.94Å; Q665-F667 VanDerWaalsContact C-N 3.35Å; Q665-F667 PolarHBondContact O-N 3.16Å; Q665-H668 PolarHBondContact O-N 3.03Å; Q665-A669 WeakPolarHBondContact O-CB 3.28Å; Q665-A669 PolarHBondContact O-N 3.37Å; Q665-L730 HydrophobicContact CG-CD1 4.16Å; Q665-L730 HydrophobicContact CG-CD2 3.85Å |
| 666 | A | 88 | Confident | 84.7 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 31% | 0.306 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.1 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F291 H662 R663 A669 F670 | F291-A666 HydrophobicContact CE2-CB 4.27Å; F291-A666 HydrophobicContact CZ-CB 4.15Å; H662-A666 WeakPolarHBondContact O-CB 3.33Å; H662-A666 PolarHBondContact O-N 3.14Å; R663-A666 PolarHBondContact O-N 3.14Å; A666-A669 PolarHBondContact O-N 2.91Å; A666-F670 WeakPolarHBondContact O-CB 3.31Å; A666-F670 PolarHBondContact O-N 3.25Å |
| 667 | F | 92 | Very high | 84.2 | Confident | 7.66667 Ų | 7.66667 | 37.1 Ų | 37.1 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 175.1 | -64.1 | -24.2 | 0 | 0 | 0 | 112.6 | F291 E558 T561 L565 W610 R663 L664 Q665 F670 A671 F726 | F291-F667 AromaticContact CE1-CE1 3.99Å; F291-F667 HydrophobicContact CE1-CE1 3.99Å; F291-F667 AromaticContact CE2-CD1 3.95Å; F291-F667 HydrophobicContact CE2-CD1 3.95Å; F291-F667 HydrophobicContact CE2-CE1 4.14Å; F291-F667 AromaticContact CZ-CD1 3.89Å; F291-F667 HydrophobicContact CZ-CD1 3.89Å; F291-F667 AromaticContact CZ-CE1 3.66Å; F291-F667 HydrophobicContact CZ-CE1 3.66Å; E558-F667 HydrophobicContact CG-CZ 4.21Å; T561-F667 HydrophobicContact CG2-CD2 3.91Å; T561-F667 HydrophobicContact CG2-CE2 4.05Å; T561-F667 HydrophobicContact CG2-CG 4.25Å; T561-F667 HydrophobicContact CG2-CZ 4.44Å; L565-F667 HydrophobicContact CD1-CB 3.83Å; L565-F667 HydrophobicContact CD1-CD1 3.36Å; L565-F667 HydrophobicContact CD1-CE1 4.09Å; L565-F667 HydrophobicContact CD1-CG 3.72Å; W610-F667 HydrophobicContact CH2-CE2 4.35Å; W610-F667 AromaticContact CZ2-CE2 3.76Å; W610-F667 HydrophobicContact CZ2-CE2 3.76Å; R663-F667 HydrophobicContact CB-CE2 4.21Å; R663-F667 HydrophobicContact CB-CZ 4.33Å; R663-F667 WeakPolarHBondContact O-CD2 3.27Å; R663-F667 WeakPolarHBondContact O-CG 3.29Å; R663-F667 PolarHBondContact O-N 3.08Å; L664-F667 HydrophobicContact CD2-CD2 4.34Å; L664-F667 PolarHBondContact O-N 3.16Å; Q665-F667 VanDerWaalsContact C-N 3.35Å; Q665-F667 PolarHBondContact O-N 3.16Å; F667-F670 PolarHBondContact O-N 2.95Å; F667-A671 WeakPolarHBondContact O-CB 3.45Å; F667-A671 PolarHBondContact O-N 3.15Å; F667-F726 HydrophobicContact CB-CD2 4.02Å; F667-F726 HydrophobicContact CB-CE1 4.45Å; F667-F726 HydrophobicContact CB-CE2 3.85Å; F667-F726 HydrophobicContact CB-CG 4.42Å; F667-F726 HydrophobicContact CB-CZ 4.1Å |
| 668 | H | 89.9 | Confident | 83.3 | Confident | 12.3333 Ų | 12.3333 | 37.9 Ų | 37.9 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -49.6 | 175.4 | -172.9 | 82.1 | 0 | 0 | 0 | 111.7 | L664 Q665 F670 A671 L672 F723 S724 F726 | L664-H668 WeakPolarHBondContact O-CB 3.34Å; L664-H668 PolarHBondContact O-N 3.4Å; Q665-H668 PolarHBondContact O-N 3.03Å; H668-F670 VanDerWaalsContact C-N 3.32Å; H668-F670 PolarHBondContact O-N 3.24Å; H668-A671 PolarHBondContact O-N 3.09Å; H668-L672 WeakPolarHBondContact NE2-CD1 3.47Å; H668-L672 WeakPolarHBondContact O-CG 2.98Å; H668-L672 PolarHBondContact O-N 3.27Å; H668-F723 AromaticContact CE1-CD1 3.84Å; H668-F723 AromaticContact ND1-CE1 3.96Å; H668-S724 PolarHBondContact CE1-O 3.01Å; H668-F726 HydrophobicContact CB-CB 4.29Å; H668-F726 HydrophobicContact CB-CD2 4.43Å; H668-F726 PolarHBondContact ND1-N 3.36Å |
| 669 | A | 85.3 | Confident | 82.6 | Confident | 51.3333 Ų | 51.3333 | 36.3 Ų | 36.3 | 42% | 0.424 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q665 A666 K673 | Q665-A669 WeakPolarHBondContact O-CB 3.28Å; Q665-A669 PolarHBondContact O-N 3.37Å; A666-A669 PolarHBondContact O-N 2.91Å; A669-K673 WeakPolarHBondContact O-CB 3.38Å; A669-K673 PolarHBondContact O-N 2.91Å |
| 670 | F | 88.1 | Confident | 81.4 | Confident | 46 Ų | 46 | 36.4 Ų | 36.4 | 20% | 0.202 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -42 | 177.3 | -169.1 | -99.3 | 0 | 0 | 0 | 112.5 | F291 L565 A666 F667 H668 L672 K673 Q674 | F291-F670 HydrophobicContact CB-CE2 4.4Å; F291-F670 HydrophobicContact CB-CZ 4.26Å; F291-F670 HydrophobicContact CD2-CB 4.37Å; F291-F670 HydrophobicContact CD2-CD1 4.39Å; F291-F670 AromaticContact CD2-CD2 3.84Å; F291-F670 HydrophobicContact CD2-CD2 3.84Å; F291-F670 HydrophobicContact CD2-CE2 4.16Å; F291-F670 AromaticContact CD2-CG 3.96Å; F291-F670 HydrophobicContact CD2-CG 3.96Å; F291-F670 HydrophobicContact CE2-CB 4.45Å; L565-F670 HydrophobicContact CB-CD1 3.93Å; L565-F670 HydrophobicContact CB-CE1 4.03Å; L565-F670 HydrophobicContact CD1-CD1 4.33Å; L565-F670 HydrophobicContact CD2-CD1 4.41Å; L565-F670 HydrophobicContact CG-CD1 4.5Å; L565-F670 WeakPolarHBondContact O-CE1 3.21Å; A666-F670 WeakPolarHBondContact O-CB 3.31Å; A666-F670 PolarHBondContact O-N 3.25Å; F667-F670 PolarHBondContact O-N 2.95Å; H668-F670 VanDerWaalsContact C-N 3.32Å; H668-F670 PolarHBondContact O-N 3.24Å; F670-L672 VanDerWaalsContact C-N 3.33Å; F670-L672 PolarHBondContact O-N 3.37Å; F670-K673 PolarHBondContact O-N 3.11Å; F670-Q674 HydrophobicContact CD1-CG 3.76Å; F670-Q674 HydrophobicContact CE1-CG 4.12Å; F670-Q674 HydrophobicContact CG-CG 4.49Å; F670-Q674 HydrophobicContact CZ-CG 4.34Å; F670-Q674 VanDerWaalsContact CZ-NE2 3.29Å; F670-Q674 WeakPolarHBondContact O-CB 3.39Å; F670-Q674 WeakPolarHBondContact O-CG 3.33Å; F670-Q674 PolarHBondContact O-N 3.31Å |
| 671 | A | 88.5 | Confident | 80.2 | Confident | 1.33333 Ų | 1.33333 | 40.8 Ų | 40.8 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L565 M571 W574 F667 H668 Q674 A675 F723 | L565-A671 HydrophobicContact CD2-CB 3.94Å; M571-A671 HydrophobicContact SD-CB 3.73Å; W574-A671 HydrophobicContact CZ3-CB 4.4Å; F667-A671 WeakPolarHBondContact O-CB 3.45Å; F667-A671 PolarHBondContact O-N 3.15Å; H668-A671 PolarHBondContact O-N 3.09Å; A671-Q674 PolarHBondContact O-N 2.99Å; A671-A675 WeakPolarHBondContact O-CB 3.5Å; A671-A675 PolarHBondContact O-N 3.13Å; A671-F723 HydrophobicContact CB-CE1 4.41Å |
| 672 | L | 84.3 | Confident | 78.6 | Confident | 28.6667 Ų | 28.6667 | 44.1 Ų | 44.1 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 174.2 | -77.7 | -178.9 | 0 | 0 | 0 | 112.2 | H668 F670 Q674 A675 D676 I720 F723 | H668-L672 WeakPolarHBondContact NE2-CD1 3.47Å; H668-L672 WeakPolarHBondContact O-CG 2.98Å; H668-L672 PolarHBondContact O-N 3.27Å; F670-L672 VanDerWaalsContact C-N 3.33Å; F670-L672 PolarHBondContact O-N 3.37Å; L672-Q674 VanDerWaalsContact C-N 3.31Å; L672-Q674 PolarHBondContact O-N 2.96Å; L672-A675 PolarHBondContact O-N 3.16Å; L672-D676 WeakPolarHBondContact O-CB 3.39Å; L672-D676 PolarHBondContact O-N 3.25Å; L672-I720 HydrophobicContact CD1-CG2 4.03Å; L672-I720 HydrophobicContact CD2-CG2 3.82Å; L672-I720 HydrophobicContact CG-CG2 4.44Å; L672-F723 HydrophobicContact CD2-CB 4.17Å; L672-F723 HydrophobicContact CD2-CD1 3.4Å; L672-F723 VanDerWaalsContact CD2-CD1 3.41Å; L672-F723 HydrophobicContact CD2-CE1 4.06Å; L672-F723 HydrophobicContact CD2-CG 4.07Å; L672-F723 HydrophobicContact CG-CD1 4.02Å; L672-F723 HydrophobicContact CG-CE1 4.37Å |
| 673 | K | 84.8 | Confident | 76.8 | Confident | 121 Ų | 121 | 42.8 Ų | 42.8 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.6 | -41.1 | 178.1 | -175.9 | 177.6 | -179.8 | 178.8 | 0 | 112.3 | A669 F670 I677 | A669-K673 WeakPolarHBondContact O-CB 3.38Å; A669-K673 PolarHBondContact O-N 2.91Å; F670-K673 PolarHBondContact O-N 3.11Å; K673-I677 HydrophobicContact CG-CD1 4.34Å; K673-I677 WeakPolarHBondContact O-CD1 3.35Å; K673-I677 VanDerWaalsContact O-CG1 3.25Å; K673-I677 WeakPolarHBondContact O-CG1 3.25Å; K673-I677 PolarHBondContact O-N 3.4Å; K673-I677 VanDerWaalsContact O-N 3.16Å |
| 674 | Q | 82.2 | Confident | 74.8 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 177.4 | -73.1 | -136.5 | 24.3 | 0 | 0 | 113.2 | L565 N568 M571 F670 A671 L672 D676 I677 Q678 | L565-Q674 PolarHBondContact O-NE2 3.35Å; L565-Q674 PolarHBondContact O-OE1 3.28Å; N568-Q674 PolarHBondContact OD1-NE2 2.85Å; N568-Q674 PolarHBondContact OD1-OE1 3.27Å; M571-Q674 HydrophobicContact CB-CB 3.85Å; M571-Q674 HydrophobicContact CG-CB 4.01Å; M571-Q674 VanDerWaalsContact CG-OE1 3.29Å; F670-Q674 HydrophobicContact CD1-CG 3.76Å; F670-Q674 HydrophobicContact CE1-CG 4.12Å; F670-Q674 HydrophobicContact CG-CG 4.49Å; F670-Q674 HydrophobicContact CZ-CG 4.34Å; F670-Q674 VanDerWaalsContact CZ-NE2 3.29Å; F670-Q674 WeakPolarHBondContact O-CB 3.39Å; F670-Q674 WeakPolarHBondContact O-CG 3.33Å; F670-Q674 PolarHBondContact O-N 3.31Å; A671-Q674 PolarHBondContact O-N 2.99Å; L672-Q674 VanDerWaalsContact C-N 3.31Å; L672-Q674 PolarHBondContact O-N 2.96Å; Q674-D676 VanDerWaalsContact C-N 3.34Å; Q674-D676 PolarHBondContact O-N 2.95Å; Q674-I677 PolarHBondContact O-N 3.25Å; Q674-Q678 PolarHBondContact O-N 3.17Å |
| 675 | A | 80.6 | Confident | 72.5 | Confident | 1.66667 Ų | 1.66667 | 51.3 Ų | 51.3 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C575 A671 L672 I677 Q678 I679 | C575-A675 HydrophobicContact CB-CB 3.58Å; A671-A675 WeakPolarHBondContact O-CB 3.5Å; A671-A675 PolarHBondContact O-N 3.13Å; L672-A675 PolarHBondContact O-N 3.16Å; A675-I677 VanDerWaalsContact C-N 3.34Å; A675-I677 PolarHBondContact O-N 3.09Å; A675-Q678 PolarHBondContact O-N 3.16Å; A675-Q678 VanDerWaalsContact O-N 3.16Å; A675-I679 WeakPolarHBondContact O-CG1 3.44Å; A675-I679 PolarHBondContact O-N 3.11Å; A675-I679 VanDerWaalsContact O-N 3.09Å |
| 676 | D | 75.7 | Confident | 70 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 179.8 | -176.4 | 54.7 | 0 | 0 | 0 | 113 | L672 Q674 Q678 I679 N680 | L672-D676 WeakPolarHBondContact O-CB 3.39Å; L672-D676 PolarHBondContact O-N 3.25Å; Q674-D676 VanDerWaalsContact C-N 3.34Å; Q674-D676 PolarHBondContact O-N 2.95Å; D676-Q678 VanDerWaalsContact C-N 3.29Å; D676-Q678 PolarHBondContact O-N 3.05Å; D676-I679 PolarHBondContact O-N 3.12Å; D676-I679 VanDerWaalsContact O-N 3.15Å; D676-N680 VanDerWaalsContact CG-ND2 3.26Å; D676-N680 PolarHBondContact O-N 3.2Å; D676-N680 PolarHBondContact O-ND2 2.88Å; D676-N680 VanDerWaalsContact O-ND2 3.1Å; D676-N680 PolarHBondContact OD1-ND2 3.09Å; D676-N680 PolarHBondContact OD2-ND2 3.17Å; D676-N680 VanDerWaalsContact OD2-ND2 3.09Å |
| 677 | I | 67.4 | Low | 67.5 | Low | 58.3333 Ų | 58.3333 | 59.3 Ų | 59.3 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 172.9 | -74.2 | 164.1 | 0 | 0 | 0 | 111 | K673 Q674 A675 N680 L681 | K673-I677 HydrophobicContact CG-CD1 4.34Å; K673-I677 WeakPolarHBondContact O-CD1 3.35Å; K673-I677 VanDerWaalsContact O-CG1 3.25Å; K673-I677 WeakPolarHBondContact O-CG1 3.25Å; K673-I677 PolarHBondContact O-N 3.4Å; K673-I677 VanDerWaalsContact O-N 3.16Å; Q674-I677 PolarHBondContact O-N 3.25Å; A675-I677 VanDerWaalsContact C-N 3.34Å; A675-I677 PolarHBondContact O-N 3.09Å; I677-N680 PolarHBondContact O-N 3.29Å; I677-L681 HydrophobicContact CG2-CD1 3.91Å; I677-L681 WeakPolarHBondContact O-CB 3.33Å; I677-L681 WeakPolarHBondContact O-CD1 3.36Å; I677-L681 VanDerWaalsContact O-CG 3.28Å; I677-L681 WeakPolarHBondContact O-CG 3.26Å; I677-L681 PolarHBondContact O-N 3.09Å |
| 678 | Q | 61.9 | Low | 64.5 | Low | 36.6667 Ų | 36.6667 | 65.5 Ų | 65.5 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.7 | -33.3 | 178.9 | -73.1 | -72.9 | 14 | 0 | 0 | 113.1 | N568 E569 F572 Q674 A675 D676 N680 L681 T682 | N568-Q678 HydrophobicContact CB-CG 4.43Å; E569-Q678 PolarHBondContact OE1-NE2 3.35Å; F572-Q678 HydrophobicContact CB-CB 3.77Å; F572-Q678 HydrophobicContact CB-CG 3.94Å; F572-Q678 HydrophobicContact CD1-CB 4.34Å; F572-Q678 HydrophobicContact CD2-CB 3.46Å; F572-Q678 VanDerWaalsContact CD2-CB 3.46Å; F572-Q678 HydrophobicContact CE2-CB 4.18Å; F572-Q678 HydrophobicContact CG-CB 3.63Å; F572-Q678 HydrophobicContact CG-CG 4.23Å; Q674-Q678 PolarHBondContact O-N 3.17Å; A675-Q678 PolarHBondContact O-N 3.16Å; A675-Q678 VanDerWaalsContact O-N 3.16Å; D676-Q678 VanDerWaalsContact C-N 3.29Å; D676-Q678 PolarHBondContact O-N 3.05Å; Q678-N680 VanDerWaalsContact C-N 3.31Å; Q678-N680 PolarHBondContact O-N 3.06Å; Q678-L681 PolarHBondContact O-N 3.22Å; Q678-T682 WeakPolarHBondContact O-CB 3.27Å; Q678-T682 WeakPolarHBondContact O-CG2 3.43Å; Q678-T682 PolarHBondContact O-N 3.15Å; Q678-T682 PolarHBondContact O-OG1 3.32Å |
| 679 | I | 63.1 | Low | 61.6 | Low | 38.3333 Ų | 38.3333 | 71.9 Ų | 71.9 | 20% | 0.197 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 172.7 | -66.9 | 167.3 | 0 | 0 | 0 | 110.5 | F572 A675 D676 T682 S683 W694 | F572-I679 HydrophobicContact CD2-CG1 4.18Å; F572-I679 HydrophobicContact CE2-CG1 3.92Å; A675-I679 WeakPolarHBondContact O-CG1 3.44Å; A675-I679 PolarHBondContact O-N 3.11Å; A675-I679 VanDerWaalsContact O-N 3.09Å; D676-I679 PolarHBondContact O-N 3.12Å; D676-I679 VanDerWaalsContact O-N 3.15Å; I679-T682 PolarHBondContact O-N 3.48Å; I679-T682 PolarHBondContact O-OG1 3Å; I679-T682 VanDerWaalsContact O-OG1 3.1Å; I679-S683 WeakPolarHBondContact O-CB 3.4Å; I679-S683 PolarHBondContact O-N 2.95Å; I679-S683 VanDerWaalsContact O-N 3.12Å; I679-S683 PolarHBondContact O-OG 2.95Å; I679-W694 HydrophobicContact CG2-CH2 4.08Å; I679-W694 HydrophobicContact CG2-CZ2 4.08Å |
| 680 | N | 57.2 | Low | 58.7 | Low | 78.3333 Ų | 78.3333 | 74.5 Ų | 74.5 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -76.1 | -29.5 | 179 | -69.9 | -60.4 | 0 | 0 | 0 | 113.9 | D676 I677 Q678 S683 T684 | D676-N680 VanDerWaalsContact CG-ND2 3.26Å; D676-N680 PolarHBondContact O-N 3.2Å; D676-N680 PolarHBondContact O-ND2 2.88Å; D676-N680 VanDerWaalsContact O-ND2 3.1Å; D676-N680 PolarHBondContact OD1-ND2 3.09Å; D676-N680 PolarHBondContact OD2-ND2 3.17Å; D676-N680 VanDerWaalsContact OD2-ND2 3.09Å; I677-N680 PolarHBondContact O-N 3.29Å; Q678-N680 VanDerWaalsContact C-N 3.31Å; Q678-N680 PolarHBondContact O-N 3.06Å; N680-S683 WeakPolarHBondContact CA-OG 3.2Å; N680-S683 PolarHBondContact O-OG 2.85Å; N680-T684 VanDerWaalsContact O-CG2 3.31Å; N680-T684 WeakPolarHBondContact O-CG2 3.35Å; N680-T684 PolarHBondContact O-N 3.36Å; N680-T684 PolarHBondContact O-OG1 3.38Å |
| 681 | L | 59.7 | Low | 55.8 | Low | 97 Ų | 97 | 78.5 Ų | 78.5 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 170.7 | -88.2 | 103.3 | 0 | 0 | 0 | 112.5 | I677 Q678 T684 T685 | I677-L681 HydrophobicContact CG2-CD1 3.91Å; I677-L681 WeakPolarHBondContact O-CB 3.33Å; I677-L681 WeakPolarHBondContact O-CD1 3.36Å; I677-L681 VanDerWaalsContact O-CG 3.28Å; I677-L681 WeakPolarHBondContact O-CG 3.26Å; I677-L681 PolarHBondContact O-N 3.09Å; Q678-L681 PolarHBondContact O-N 3.22Å; L681-T684 PolarHBondContact O-OG1 3.23Å; L681-T685 PolarHBondContact O-OG1 2.97Å; L681-T685 VanDerWaalsContact O-OG1 3.09Å |
| 682 | T | 52.8 | Low | 53 | Low | 71.6667 Ų | 71.6667 | 82.3 Ų | 82.3 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.3 | -33.3 | 179.8 | 53 | 0 | 0 | 0 | 0 | 113.1 | Q678 I679 T684 | Q678-T682 WeakPolarHBondContact O-CB 3.27Å; Q678-T682 WeakPolarHBondContact O-CG2 3.43Å; Q678-T682 PolarHBondContact O-N 3.15Å; Q678-T682 PolarHBondContact O-OG1 3.32Å; I679-T682 PolarHBondContact O-N 3.48Å; I679-T682 PolarHBondContact O-OG1 3Å; I679-T682 VanDerWaalsContact O-OG1 3.1Å; T682-T684 PolarHBondContact O-N 3.03Å |
| 683 | S | 46.7 | Very low | 50.3 | Low | 72 Ų | 72 | 86.6 Ų | 86.6 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.2 | -28 | 178.3 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | I679 N680 | I679-S683 WeakPolarHBondContact O-CB 3.4Å; I679-S683 PolarHBondContact O-N 2.95Å; I679-S683 VanDerWaalsContact O-N 3.12Å; I679-S683 PolarHBondContact O-OG 2.95Å; N680-S683 WeakPolarHBondContact CA-OG 3.2Å; N680-S683 PolarHBondContact O-OG 2.85Å |
| 684 | T | 45.3 | Very low | 47.6 | Very low | 99.3333 Ų | 99.3333 | 86.5 Ų | 86.5 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -82.5 | -21.2 | -174.4 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | N680 L681 T682 | N680-T684 VanDerWaalsContact O-CG2 3.31Å; N680-T684 WeakPolarHBondContact O-CG2 3.35Å; N680-T684 PolarHBondContact O-N 3.36Å; N680-T684 PolarHBondContact O-OG1 3.38Å; L681-T684 PolarHBondContact O-OG1 3.23Å; T682-T684 PolarHBondContact O-N 3.03Å |
| 685 | T | 42.4 | Very low | 45 | Very low | 120.667 Ų | 120.667 | 90.8 Ų | 90.8 | 74% | 0.74 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -98.5 | -17.6 | -175.5 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | L681 | L681-T685 PolarHBondContact O-OG1 2.97Å; L681-T685 VanDerWaalsContact O-OG1 3.09Å |
| 686 | A | 34.7 | Very low | 42.5 | Very low | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | trans | -110.4 | 47.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | N688 | A686-N688 PolarHBondContact O-N 3.38Å; A686-N688 VanDerWaalsContact O-N 3.08Å | ||
| 687 | K | 34.9 | Very low | 40.3 | Very low | 189.333 Ų | 189.333 | 100.3 Ų | 100.3 | 82% | 0.823 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -1.7 | 176.8 | -78 | -172.8 | 176.3 | 178.3 | 0 | 115.4 | ||
| 688 | N | 29.2 | Very low | 38.5 | Very low | 138.667 Ų | 138.667 | 104.7 Ų | 104.7 | 74% | 0.742 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 134.9 | 169.5 | -72 | -50.9 | 0 | 0 | 0 | 110.2 | A686 M690 | A686-N688 PolarHBondContact O-N 3.38Å; A686-N688 VanDerWaalsContact O-N 3.08Å; N688-M690 PolarHBondContact O-N 2.99Å |
| 689 | T | 27.8 | Very low | 36.9 | Very low | 147 Ų | 147 | 105.7 Ų | 105.7 | 90% | 0.902 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.4 | 39.9 | 162.3 | 37.1 | 0 | 0 | 0 | 0 | 119 | ||
| 690 | M | 25.2 | Very low | 35.1 | Very low | 106.333 Ų | 106.333 | 111.5 Ų | 111.5 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | trans | -155.7 | 89 | 135.5 | -130.8 | -179.3 | 110.5 | 0 | 0 | 111.7 | N688 M692 | N688-M690 PolarHBondContact O-N 2.99Å; M690-M692 VanDerWaalsContact C-N 3.31Å; M690-M692 HydrophobicContact CE-CG 4.04Å; M690-M692 HydrophobicContact CE-SD 3.72Å; M690-M692 HydrophobicContact CG-CG 4.49Å; M690-M692 PolarHBondContact O-N 2.97Å; M690-M692 VanDerWaalsContact O-N 3.13Å | ||
| 691 | T | 27.4 | Very low | 33.6 | Very low | 128.667 Ų | 128.667 | 111.1 Ų | 111.1 | 79% | 0.789 | 65% | 0.65 | S | S | * | * | trans | -69 | 93.9 | 161.4 | 41.5 | 0 | 0 | 0 | 0 | 108.7 | V693 | T691-V693 VanDerWaalsContact C-N 3.3Å; T691-V693 PolarHBondContact O-N 3.14Å | ||
| 692 | M | 29 | Very low | 32 | Very low | 80.6667 Ų | 80.6667 | 114 Ų | 114 | 40% | 0.397 | 67% | 0.665 | S | S | . | * | trans | -54.4 | 108.4 | 155.6 | -78.1 | -73.7 | -75.8 | 0 | 0 | 106.7 | P585 M690 W694 | P585-M692 HydrophobicContact CB-CE 4.28Å; P585-M692 HydrophobicContact CB-SD 4.2Å; P585-M692 HydrophobicContact CG-CE 4.12Å; P585-M692 HydrophobicContact CG-SD 4.19Å; M690-M692 VanDerWaalsContact C-N 3.31Å; M690-M692 HydrophobicContact CE-CG 4.04Å; M690-M692 HydrophobicContact CE-SD 3.72Å; M690-M692 HydrophobicContact CG-CG 4.49Å; M690-M692 PolarHBondContact O-N 2.97Å; M690-M692 VanDerWaalsContact O-N 3.13Å; M692-W694 PolarHBondContact O-N 3.39Å | ||
| 693 | V | 27.1 | Very low | 30.9 | Very low | 119.667 Ų | 119.667 | 120.3 Ų | 120.3 | 73% | 0.725 | 69% | 0.687 | S | S | * | * | trans | -76 | 80.5 | -179.3 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | T691 C695 | T691-V693 VanDerWaalsContact C-N 3.3Å; T691-V693 PolarHBondContact O-N 3.14Å; V693-C695 PolarHBondContact O-N 3.29Å | ||
| 694 | W | 28.8 | Very low | 30 | Very low | 119 Ų | 119 | 122 Ų | 122 | 45% | 0.451 | 70% | 0.696 | S | S | . | * | trans | -57.3 | 129.5 | 164.3 | -72.6 | 26.9 | 0 | 0 | 0 | 106.9 | I679 M692 D696 P717 N719 | I679-W694 HydrophobicContact CG2-CH2 4.08Å; I679-W694 HydrophobicContact CG2-CZ2 4.08Å; M692-W694 PolarHBondContact O-N 3.39Å; W694-D696 VanDerWaalsContact C-N 3.3Å; W694-D696 PolarHBondContact O-N 2.84Å; W694-P717 HydrophobicContact CZ3-CB 4.38Å; W694-N719 VanDerWaalsContact CE3-ND2 3.28Å; W694-N719 VanDerWaalsContact CZ3-ND2 3.31Å; W694-N719 WeakPolarHBondContact CZ3-ND2 3.31Å | ||
| 695 | C | 28.8 | Very low | 29.1 | Very low | 96.6667 Ų | 96.6667 | 124.5 Ų | 124.5 | 65% | 0.653 | 71% | 0.706 | S | S | * | * | trans | -82.5 | 84.5 | -170.4 | -118.2 | 0 | 0 | 0 | 0 | 109.9 | V693 T697 L698 | V693-C695 PolarHBondContact O-N 3.29Å; C695-T697 PolarHBondContact O-N 3.15Å; C695-T697 PolarHBondContact SG-OG1 3.48Å; C695-T697 VanDerWaalsContact SG-OG1 3.37Å; C695-L698 PolarHBondContact O-N 3.21Å | ||
| 696 | D | 26.9 | Very low | 28.6 | Very low | 154.333 Ų | 154.333 | 128 Ų | 128 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -66.2 | 32.8 | 171.8 | -64 | -32.4 | 0 | 0 | 0 | 112.9 | W694 | W694-D696 VanDerWaalsContact C-N 3.3Å; W694-D696 PolarHBondContact O-N 2.84Å | ||
| 697 | T | 29.6 | Very low | 28.4 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | -114.1 | 11.3 | -175.6 | -27.3 | 0 | 0 | 0 | 0 | 112.1 | C695 G699 | C695-T697 PolarHBondContact O-N 3.15Å; C695-T697 PolarHBondContact SG-OG1 3.48Å; C695-T697 VanDerWaalsContact SG-OG1 3.37Å; T697-G699 PolarHBondContact O-N 3.39Å | ||
| 698 | L | 28.9 | Very low | 28.3 | Very low | 151.333 Ų | 151.333 | 130 Ų | 130 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.8 | 68.8 | 163 | -74.6 | 171.6 | 0 | 0 | 0 | 109.4 | C695 P998 | C695-L698 PolarHBondContact O-N 3.21Å; L698-P998 HydrophobicContact CD2-CB 3.97Å |
| 699 | G | 28.3 | Very low | 28.3 | Very low | 58.6667 Ų | 58.6667 | 128.1 Ų | 128.1 | 61% | 0.605 | 73% | 0.731 | S | S | * | * | trans | -98.6 | 104.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T697 G701 | T697-G699 PolarHBondContact O-N 3.39Å; G699-G701 PolarHBondContact O-N 3.12Å | ||
| 700 | N | 26.5 | Very low | 28.4 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -50.3 | 110.1 | 162.8 | -68.7 | -11.8 | 0 | 0 | 0 | 112.7 | ||||
| 701 | G | 25.9 | Very low | 28.6 | Very low | 69.3333 Ų | 69.3333 | 131.2 Ų | 131.2 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | -172.6 | 68.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G699 | G699-G701 PolarHBondContact O-N 3.12Š| ||
| 702 | L | 26.6 | Very low | 28.6 | Very low | 158.333 Ų | 158.333 | 133.1 Ų | 133.1 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 158.9 | 121.4 | 155 | -110.2 | 74.2 | 0 | 0 | 0 | 112.3 | ||
| 703 | F | 29.1 | Very low | 28.5 | Very low | 203.333 Ų | 203.333 | 134.9 Ų | 134.9 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | 142.9 | 103.5 | 156.8 | -72 | -65.7 | 0 | 0 | 0 | 111.7 | ||||
| 704 | P | 27.4 | Very low | 28.6 | Very low | 107.333 Ų | 107.333 | 135.5 Ų | 135.5 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -93.2 | 148.4 | 167.1 | 34.9 | -29.8 | 0 | 0 | 0 | 111.9 | ||||
| 705 | N | 27 | Very low | 28.8 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 71.4 | 132.1 | 173.4 | -47.1 | -19.8 | 0 | 0 | 0 | 115.1 | ||||
| 706 | E | 31.1 | Very low | 29.2 | Very low | 194.333 Ų | 194.333 | 138.6 Ų | 138.6 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | cis | -132.3 | 173.7 | 34.1 | -83.2 | -178 | 160.9 | 0 | 0 | 112.3 | ||||
| 707 | I | 30.7 | Very low | 30 | Very low | 168.667 Ų | 168.667 | 133.7 Ų | 133.7 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -121.1 | 119.3 | -168.6 | -62.2 | 164.4 | 0 | 0 | 0 | 110.9 | ||||
| 708 | S | 32 | Very low | 30.9 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -164.5 | 131.9 | 148.5 | 42.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 709 | S | 30 | Very low | 31.9 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -8 | 145.8 | 161.2 | 55.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 710 | Q | 29.3 | Very low | 33.3 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 99.9 | 123 | 131.8 | -94 | 176.4 | -82.4 | 0 | 0 | 112.6 | ||||
| 711 | D | 30.5 | Very low | 34.8 | Very low | 150.333 Ų | 150.333 | 128.6 Ų | 128.6 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | -159.7 | 156.1 | 91.6 | -89.6 | -27.7 | 0 | 0 | 0 | 110.7 | C713 | D711-C713 PolarHBondContact O-N 3.15Š| |||
| 712 | D | 26.7 | Very low | 37 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 70% | 0.704 | S | S | * | * | trans | -77.1 | 109.1 | -171.6 | -72.6 | -61.4 | 0 | 0 | 0 | 113.7 | ||||
| 713 | C | 26.7 | Very low | 39.7 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -157.4 | 155.2 | 159.9 | -115.6 | 0 | 0 | 0 | 0 | 114.7 | D711 | D711-C713 PolarHBondContact O-N 3.15Š| ||
| 714 | D | 29.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | 59.7 | 84.5 | 172 | -69.2 | -35 | 0 | 0 | 0 | 118.2 | ||||
| 715 | I | 32.1 | Very low | 45.2 | Very low | 166 Ų | 166 | 110.6 Ų | 110.6 | 85% | 0.851 | 60% | 0.604 | S | S | * | * | trans | -114.9 | 66.8 | 152.9 | -47.7 | 179.5 | 0 | 0 | 0 | 109.5 | P717 | I715-P717 WeakPolarHBondContact O-CD 3.42Š| ||
| 716 | I | 37.4 | Very low | 48.2 | Very low | 116 Ų | 116 | 103.5 Ų | 103.5 | 60% | 0.595 | 57% | 0.566 | S | S | * | * | trans | -66.8 | 125.1 | 157.9 | -61 | 177.8 | 0 | 0 | 0 | 106.6 | K718 I720 | I716-K718 PolarHBondContact O-N 3.09Å; I716-I720 HydrophobicContact CG2-CB 4.35Å; I716-I720 HydrophobicContact CG2-CD1 4.26Å; I716-I720 HydrophobicContact CG2-CG2 4.43Å | ||
| 717 | P | 44.1 | Very low | 51 | Low | 51.6667 Ų | 51.6667 | 95.5 Ų | 95.5 | 34% | 0.335 | 53% | 0.529 | S | S | . | . | trans | -60.8 | 123.9 | -178.7 | 6.7 | -10.6 | 0 | 0 | 0 | 110.5 | W694 I715 N719 I720 | W694-P717 HydrophobicContact CZ3-CB 4.38Å; I715-P717 WeakPolarHBondContact O-CD 3.42Å; P717-N719 PolarHBondContact O-N 3.04Å; P717-I720 HydrophobicContact CB-CG1 4.49Å; P717-I720 HydrophobicContact CG-CD1 3.92Å; P717-I720 HydrophobicContact CG-CG1 4.12Å; P717-I720 WeakPolarHBondContact O-CB 3.21Å; P717-I720 PolarHBondContact O-N 3.02Å | ||
| 718 | K | 48.4 | Very low | 53.7 | Low | 166.333 Ų | 166.333 | 89.6 Ų | 89.6 | 72% | 0.723 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -7.3 | -175.4 | -66.3 | -178.1 | 177.3 | 179.7 | 0 | 115.6 | I716 S721 | I716-K718 PolarHBondContact O-N 3.09Å; K718-S721 PolarHBondContact O-OG 3.17Å |
| 719 | N | 50.2 | Low | 56.5 | Low | 65.6667 Ų | 65.6667 | 84.3 Ų | 84.3 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -21.5 | 176.5 | -61.5 | -21.4 | 0 | 0 | 0 | 113 | W694 P717 S721 L722 | W694-N719 VanDerWaalsContact CE3-ND2 3.28Å; W694-N719 VanDerWaalsContact CZ3-ND2 3.31Å; W694-N719 WeakPolarHBondContact CZ3-ND2 3.31Å; P717-N719 PolarHBondContact O-N 3.04Å; N719-S721 VanDerWaalsContact C-N 3.32Å; N719-S721 PolarHBondContact O-N 2.66Å; N719-L722 WeakPolarHBondContact O-CB 3.39Å; N719-L722 PolarHBondContact O-N 3.29Å |
| 720 | I | 57.9 | Low | 59.2 | Low | 36.3333 Ų | 36.3333 | 79.8 Ų | 79.8 | 19% | 0.186 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -66.1 | -37.3 | 179.5 | -73.7 | 179.9 | 0 | 0 | 0 | 111.4 | L672 I716 P717 L722 F723 | L672-I720 HydrophobicContact CD1-CG2 4.03Å; L672-I720 HydrophobicContact CD2-CG2 3.82Å; L672-I720 HydrophobicContact CG-CG2 4.44Å; I716-I720 HydrophobicContact CG2-CB 4.35Å; I716-I720 HydrophobicContact CG2-CD1 4.26Å; I716-I720 HydrophobicContact CG2-CG2 4.43Å; P717-I720 HydrophobicContact CB-CG1 4.49Å; P717-I720 HydrophobicContact CG-CD1 3.92Å; P717-I720 HydrophobicContact CG-CG1 4.12Å; P717-I720 WeakPolarHBondContact O-CB 3.21Å; P717-I720 PolarHBondContact O-N 3.02Å; I720-L722 PolarHBondContact O-N 3.31Å; I720-L722 VanDerWaalsContact O-N 3.13Å; I720-F723 WeakPolarHBondContact O-CB 3.16Å; I720-F723 PolarHBondContact O-N 3.23Å; I720-F723 VanDerWaalsContact O-N 3.11Å |
| 721 | S | 58.2 | Low | 61.9 | Low | 95.3333 Ų | 95.3333 | 72 Ų | 72 | 67% | 0.667 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -66.5 | -5.4 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | K718 N719 | K718-S721 PolarHBondContact O-OG 3.17Å; N719-S721 VanDerWaalsContact C-N 3.32Å; N719-S721 PolarHBondContact O-N 2.66Å |
| 722 | L | 72.6 | Confident | 64.6 | Low | 114.667 Ų | 114.667 | 65.1 Ų | 65.1 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -93.2 | -9 | 174.2 | -90.3 | 118.3 | 0 | 0 | 0 | 113.4 | T579 N719 I720 S724 | T579-L722 HydrophobicContact CG2-CB 4.24Å; N719-L722 WeakPolarHBondContact O-CB 3.39Å; N719-L722 PolarHBondContact O-N 3.29Å; I720-L722 PolarHBondContact O-N 3.31Å; I720-L722 VanDerWaalsContact O-N 3.13Å; L722-S724 PolarHBondContact O-N 3.39Å |
| 723 | F | 82.6 | Confident | 67.3 | Low | 5.33333 Ų | 5.33333 | 57.3 Ų | 57.3 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | trans | -78.5 | 117.5 | 177.8 | 176.5 | -114.7 | 0 | 0 | 0 | 110.7 | W574 C575 Q578 T579 H668 A671 L672 I720 G725 | W574-F723 AromaticContact CD2-CE2 3.8Å; W574-F723 HydrophobicContact CD2-CE2 3.8Å; W574-F723 AromaticContact CD2-CZ 3.76Å; W574-F723 HydrophobicContact CD2-CZ 3.76Å; W574-F723 AromaticContact CE2-CE2 3.81Å; W574-F723 AromaticContact CE2-CZ 3.87Å; W574-F723 HydrophobicContact CE3-CE2 4.28Å; W574-F723 AromaticContact CE3-CZ 3.78Å; W574-F723 HydrophobicContact CE3-CZ 3.78Å; W574-F723 HydrophobicContact CG-CE2 4.02Å; W574-F723 HydrophobicContact CG-CZ 4.41Å; W574-F723 HydrophobicContact CH2-CZ 4.09Å; W574-F723 HydrophobicContact CZ2-CE2 4.33Å; W574-F723 AromaticContact CZ2-CZ 3.95Å; W574-F723 HydrophobicContact CZ2-CZ 4.05Å; W574-F723 AromaticContact CZ3-CZ 3.94Å; W574-F723 HydrophobicContact CZ3-CZ 3.94Å; W574-F723 AromaticContact NE1-CE2 3.84Å; C575-F723 HydrophobicContact CB-CD2 4.12Å; C575-F723 HydrophobicContact CB-CE2 4.18Å; Q578-F723 HydrophobicContact CB-CD2 4.45Å; Q578-F723 VanDerWaalsContact OE1-CE2 3.23Å; T579-F723 HydrophobicContact CG2-CB 4.25Å; H668-F723 AromaticContact CE1-CD1 3.84Å; H668-F723 AromaticContact ND1-CE1 3.96Å; A671-F723 HydrophobicContact CB-CE1 4.41Å; L672-F723 HydrophobicContact CD2-CB 4.17Å; L672-F723 HydrophobicContact CD2-CD1 3.4Å; L672-F723 VanDerWaalsContact CD2-CD1 3.41Å; L672-F723 HydrophobicContact CD2-CE1 4.06Å; L672-F723 HydrophobicContact CD2-CG 4.07Å; L672-F723 HydrophobicContact CG-CD1 4.02Å; L672-F723 HydrophobicContact CG-CE1 4.37Å; I720-F723 WeakPolarHBondContact O-CB 3.16Å; I720-F723 PolarHBondContact O-N 3.23Å; I720-F723 VanDerWaalsContact O-N 3.11Å; F723-G725 VanDerWaalsContact CZ-CA 3.41Å; F723-G725 PolarHBondContact O-N 3.46Å | ||
| 724 | S | 84 | Confident | 69.7 | Low | 40.3333 Ų | 40.3333 | 55 Ų | 55 | 28% | 0.282 | 29% | 0.294 | S | S | . | . | trans | -74.4 | -35.7 | 179 | 90 | 0 | 0 | 0 | 0 | 111.9 | Q578 H668 L722 F726 L727 | Q578-S724 PolarHBondContact NE2-OG 3.02Å; Q578-S724 PolarHBondContact OE1-OG 2.67Å; H668-S724 PolarHBondContact CE1-O 3.01Å; L722-S724 PolarHBondContact O-N 3.39Å; S724-F726 PolarHBondContact O-N 3.29Å; S724-L727 WeakPolarHBondContact O-CA 3.24Å; S724-L727 WeakPolarHBondContact O-CB 3.42Å; S724-L727 WeakPolarHBondContact O-CG 3.26Å; S724-L727 PolarHBondContact O-N 3.07Å | ||
| 725 | G | 87.7 | Confident | 72.1 | Confident | 0.333333 Ų | 0.333333 | 49.4 Ų | 49.4 | 0% | 0.003 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43 | -129.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V607 F723 L727 P728 | V607-G725 WeakPolarHBondContact CG2-O 3.39Å; F723-G725 VanDerWaalsContact CZ-CA 3.41Å; F723-G725 PolarHBondContact O-N 3.46Å; G725-L727 VanDerWaalsContact C-N 3.33Å; G725-L727 PolarHBondContact O-N 2.87Å; G725-P728 VanDerWaalsContact O-CD 3.29Å; G725-P728 WeakPolarHBondContact O-CD 3.27Å |
| 726 | F | 91.3 | Very high | 74.1 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.4 | 174.7 | -63 | -92.6 | 0 | 0 | 0 | 115.4 | T561 L565 W574 I606 V607 W610 L664 F667 H668 S724 P728 A729 L730 | T561-F726 HydrophobicContact CG2-CE1 4.06Å; T561-F726 HydrophobicContact CG2-CZ 3.81Å; L565-F726 HydrophobicContact CD2-CE2 4.23Å; W574-F726 HydrophobicContact CH2-CD2 4.09Å; W574-F726 AromaticContact CH2-CE2 3.8Å; W574-F726 HydrophobicContact CH2-CE2 3.8Å; W574-F726 HydrophobicContact CH2-CZ 4.23Å; W574-F726 HydrophobicContact CZ3-CD2 4.49Å; W574-F726 AromaticContact CZ3-CE2 3.88Å; W574-F726 HydrophobicContact CZ3-CE2 3.88Å; W574-F726 HydrophobicContact CZ3-CZ 4.39Å; I606-F726 HydrophobicContact CG2-CE1 4.37Å; V607-F726 HydrophobicContact CG2-CD1 3.77Å; V607-F726 HydrophobicContact CG2-CE1 3.99Å; V607-F726 HydrophobicContact CG2-CG 4.14Å; W610-F726 AromaticContact CD1-CE1 3.82Å; L664-F726 HydrophobicContact CD2-CB 4.25Å; L664-F726 HydrophobicContact CD2-CD1 3.62Å; L664-F726 HydrophobicContact CD2-CE1 4.38Å; L664-F726 HydrophobicContact CD2-CG 4.25Å; F667-F726 HydrophobicContact CB-CD2 4.02Å; F667-F726 HydrophobicContact CB-CE1 4.45Å; F667-F726 HydrophobicContact CB-CE2 3.85Å; F667-F726 HydrophobicContact CB-CG 4.42Å; F667-F726 HydrophobicContact CB-CZ 4.1Å; H668-F726 HydrophobicContact CB-CB 4.29Å; H668-F726 HydrophobicContact CB-CD2 4.43Å; H668-F726 PolarHBondContact ND1-N 3.36Å; S724-F726 PolarHBondContact O-N 3.29Å; F726-P728 VanDerWaalsContact C-CD 3.42Å; F726-P728 VanDerWaalsContact C-N 3.32Å; F726-A729 WeakPolarHBondContact O-CA 3.48Å; F726-A729 WeakPolarHBondContact O-CB 3.33Å; F726-A729 PolarHBondContact O-N 3.33Å; F726-L730 PolarHBondContact O-N 3.15Å |
| 727 | L | 89.7 | Confident | 75.8 | Confident | 24.6667 Ų | 24.6667 | 39.5 Ų | 39.5 | 13% | 0.129 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.8 | -35.5 | 179.1 | -62.3 | 172.9 | 0 | 0 | 0 | 113.9 | S724 G725 A729 L730 A731 L819 L823 P824 | S724-L727 WeakPolarHBondContact O-CA 3.24Å; S724-L727 WeakPolarHBondContact O-CB 3.42Å; S724-L727 WeakPolarHBondContact O-CG 3.26Å; S724-L727 PolarHBondContact O-N 3.07Å; G725-L727 VanDerWaalsContact C-N 3.33Å; G725-L727 PolarHBondContact O-N 2.87Å; L727-A729 VanDerWaalsContact C-N 3.32Å; L727-A729 PolarHBondContact O-N 3.24Å; L727-L730 HydrophobicContact CD2-CD1 4.21Å; L727-L730 PolarHBondContact O-N 3.2Å; L727-A731 WeakPolarHBondContact O-CB 3.41Å; L727-A731 PolarHBondContact O-N 3.1Å; L727-L819 HydrophobicContact CD1-CD2 4.3Å; L727-L819 HydrophobicContact CD2-CD2 3.59Å; L727-L823 HydrophobicContact CB-CD2 4.06Å; L727-L823 HydrophobicContact CD2-CD2 3.75Å; L727-L823 HydrophobicContact CG-CD2 4.44Å; L727-L823 WeakPolarHBondContact O-CD2 3.38Å; L727-P824 HydrophobicContact CB-CG 4.39Å |
| 728 | P | 87.7 | Confident | 77.1 | Confident | 46.3333 Ų | 46.3333 | 37.8 Ų | 37.8 | 30% | 0.301 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -35.1 | 172.9 | -24.5 | 35.9 | 0 | 0 | 0 | 113.7 | V607 G725 F726 A731 A732 P824 | V607-P728 HydrophobicContact CG1-CB 4.16Å; V607-P728 HydrophobicContact CG1-CG 4.22Å; G725-P728 VanDerWaalsContact O-CD 3.29Å; G725-P728 WeakPolarHBondContact O-CD 3.27Å; F726-P728 VanDerWaalsContact C-CD 3.42Å; F726-P728 VanDerWaalsContact C-N 3.32Å; P728-A731 PolarHBondContact O-N 3.02Å; P728-A732 PolarHBondContact O-N 3.04Å; P728-A732 VanDerWaalsContact O-N 3.11Å; P728-P824 HydrophobicContact CG-CG 4.41Å |
| 729 | A | 90.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.2 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V607 W610 L664 F726 L727 A731 A732 C733 | V607-A729 HydrophobicContact CG1-CB 4.45Å; W610-A729 HydrophobicContact CB-CB 3.84Å; L664-A729 HydrophobicContact CD1-CB 3.84Å; L664-A729 HydrophobicContact CD2-CB 4.02Å; L664-A729 HydrophobicContact CG-CB 4.5Å; F726-A729 WeakPolarHBondContact O-CA 3.48Å; F726-A729 WeakPolarHBondContact O-CB 3.33Å; F726-A729 PolarHBondContact O-N 3.33Å; L727-A729 VanDerWaalsContact C-N 3.32Å; L727-A729 PolarHBondContact O-N 3.24Å; A729-A731 VanDerWaalsContact C-N 3.32Å; A729-A731 PolarHBondContact O-N 3.24Å; A729-A732 WeakPolarHBondContact O-CB 3.34Å; A729-A732 PolarHBondContact O-N 3.09Å; A729-C733 PolarHBondContact O-N 3.24Å; A729-C733 VanDerWaalsContact O-N 3.1Å; A729-C733 PolarHBondContact O-SG 2.84Å; A729-C733 VanDerWaalsContact O-SG 3.41Å |
| 730 | L | 87.5 | Confident | 79.5 | Confident | 6.66667 Ų | 6.66667 | 32.7 Ų | 32.7 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 172.5 | -71.6 | 169 | 0 | 0 | 0 | 112.7 | A661 L664 Q665 F726 L727 A732 C733 L823 | A661-L730 HydrophobicContact CB-CD2 4.44Å; A661-L730 WeakPolarHBondContact O-CD2 3.42Å; L664-L730 HydrophobicContact CB-CD2 3.49Å; L664-L730 VanDerWaalsContact CB-CD2 3.46Å; L664-L730 HydrophobicContact CB-CG 3.87Å; L664-L730 HydrophobicContact CD1-CD2 4.43Å; Q665-L730 HydrophobicContact CG-CD1 4.16Å; Q665-L730 HydrophobicContact CG-CD2 3.85Å; F726-L730 PolarHBondContact O-N 3.15Å; L727-L730 HydrophobicContact CD2-CD1 4.21Å; L727-L730 PolarHBondContact O-N 3.2Å; L730-A732 VanDerWaalsContact C-N 3.32Å; L730-A732 PolarHBondContact O-N 3.47Å; L730-C733 VanDerWaalsContact O-CB 3.3Å; L730-C733 WeakPolarHBondContact O-CB 3.15Å; L730-C733 PolarHBondContact O-N 3.41Å; L730-L823 HydrophobicContact CB-CD1 4.42Å; L730-L823 HydrophobicContact CB-CD2 3.66Å |
| 731 | A | 84.7 | Confident | 80.7 | Confident | 4.33333 Ų | 4.33333 | 34.4 Ų | 34.4 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L727 P728 A729 C733 R734 L823 P824 | L727-A731 WeakPolarHBondContact O-CB 3.41Å; L727-A731 PolarHBondContact O-N 3.1Å; P728-A731 PolarHBondContact O-N 3.02Å; A729-A731 VanDerWaalsContact C-N 3.32Å; A729-A731 PolarHBondContact O-N 3.24Å; A731-C733 VanDerWaalsContact C-N 3.29Å; A731-C733 PolarHBondContact O-N 3.11Å; A731-R734 PolarHBondContact O-N 3.07Å; A731-R734 VanDerWaalsContact O-N 3.11Å; A731-L823 VanDerWaalsContact CA-CD2 3.47Å; A731-L823 HydrophobicContact CB-CB 4.18Å; A731-L823 HydrophobicContact CB-CD2 4.25Å; A731-P824 HydrophobicContact CB-CG 3.96Å; A731-P824 VanDerWaalsContact CB-O 3.27Å; A731-P824 WeakPolarHBondContact CB-O 3.31Å |
| 732 | A | 86.7 | Confident | 82.1 | Confident | 4.33333 Ų | 4.33333 | 30 Ų | 30 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -33.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S611 C614 L615 R620 P728 A729 L730 R734 L735 | S611-A732 WeakPolarHBondContact OG-CB 3.4Å; C614-A732 HydrophobicContact CB-CB 4.21Å; L615-A732 HydrophobicContact CD1-CB 4.15Å; L615-A732 HydrophobicContact CD2-CB 4.15Å; L615-A732 HydrophobicContact CG-CB 4Å; R620-A732 VanDerWaalsContact CZ-O 3.26Å; R620-A732 PolarHBondContact NH1-O 3.12Å; R620-A732 PolarHBondContact NH2-O 3.13Å; P728-A732 PolarHBondContact O-N 3.04Å; P728-A732 VanDerWaalsContact O-N 3.11Å; A729-A732 WeakPolarHBondContact O-CB 3.34Å; A729-A732 PolarHBondContact O-N 3.09Å; L730-A732 VanDerWaalsContact C-N 3.32Å; L730-A732 PolarHBondContact O-N 3.47Å; A732-R734 VanDerWaalsContact C-N 3.32Å; A732-R734 PolarHBondContact O-N 3.24Å; A732-L735 PolarHBondContact O-N 3.05Å |
| 733 | C | 83.4 | Confident | 82.6 | Confident | 6.33333 Ų | 6.33333 | 26.2 Ų | 26.2 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -30.4 | 172.9 | -60.3 | 0 | 0 | 0 | 0 | 114 | C614 R620 L657 A661 A729 L730 A731 W810 | C614-C733 PolarHBondContact SG-SG 3.13Å; R620-C733 PolarHBondContact NH2-O 2.75Å; L657-C733 HydrophobicContact CD1-CB 4.36Å; A661-C733 HydrophobicContact CB-CB 4.29Å; A729-C733 PolarHBondContact O-N 3.24Å; A729-C733 VanDerWaalsContact O-N 3.1Å; A729-C733 PolarHBondContact O-SG 2.84Å; A729-C733 VanDerWaalsContact O-SG 3.41Å; L730-C733 VanDerWaalsContact O-CB 3.3Å; L730-C733 WeakPolarHBondContact O-CB 3.15Å; L730-C733 PolarHBondContact O-N 3.41Å; A731-C733 VanDerWaalsContact C-N 3.29Å; A731-C733 PolarHBondContact O-N 3.11Å; C733-W810 HydrophobicContact CB-CH2 4.12Å; C733-W810 HydrophobicContact CB-CZ2 4.42Å |
| 734 | R | 78.1 | Confident | 82.7 | Confident | 69 Ų | 69 | 26.1 Ų | 26.1 | 26% | 0.26 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.3 | -175.9 | -72.2 | -170.2 | 138.7 | 177.7 | -1.4 | 115.1 | A731 A732 D807 W810 L820 | A731-R734 PolarHBondContact O-N 3.07Å; A731-R734 VanDerWaalsContact O-N 3.11Å; A732-R734 VanDerWaalsContact C-N 3.32Å; A732-R734 PolarHBondContact O-N 3.24Å; R734-D807 IonicContact NH2-OD1 3.66Å; R734-W810 HydrophobicContact CG-CH2 4.33Å; R734-W810 HydrophobicContact CG-CZ2 3.79Å; R734-L820 PolarHBondContact NH1-O 2.84Å |
| 735 | L | 79.2 | Confident | 82.8 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | trans | -77.6 | 148.6 | -176.7 | -60.1 | 179 | 0 | 0 | 0 | 112.5 | L615 R620 A732 L825 P826 F832 I835 | L615-L735 HydrophobicContact CD2-CB 4.44Å; L615-L735 HydrophobicContact CD2-CD1 4.25Å; R620-L735 WeakPolarHBondContact CD-O 3.34Å; R620-L735 PolarHBondContact NE-O 3.26Å; R620-L735 VanDerWaalsContact NH1-C 3.29Å; R620-L735 PolarHBondContact NH1-O 3Å; A732-L735 PolarHBondContact O-N 3.05Å; L735-L825 HydrophobicContact CD2-CD2 4.03Å; L735-P826 HydrophobicContact CD1-CG 4.22Å; L735-P826 HydrophobicContact CD2-CG 4.02Å; L735-F832 HydrophobicContact CD2-CE1 4.05Å; L735-F832 HydrophobicContact CD2-CE2 4.11Å; L735-F832 HydrophobicContact CD2-CZ 3.94Å; L735-I835 HydrophobicContact CD1-CD1 4.29Å; L735-I835 HydrophobicContact CD1-CG2 3.79Å | ||
| 736 | S | 74 | Confident | 82.6 | Confident | 35.3333 Ų | 35.3333 | 35.3 Ų | 35.3 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | trans | -107.9 | 157.3 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | L788 N792 | S736-L788 WeakPolarHBondContact OG-CD2 3.3Å; S736-N792 PolarHBondContact OG-OD1 2.87Å | ||
| 737 | W | 73.1 | Confident | 82.3 | Confident | 38.6667 Ų | 38.6667 | 36.4 Ų | 36.4 | 15% | 0.146 | 20% | 0.202 | C | C | . | . | trans | -116.8 | 124.6 | 176.8 | -67.8 | 92.4 | 0 | 0 | 0 | 110.1 | L615 P617 R620 I835 R836 A839 L840 | L615-W737 HydrophobicContact CB-CZ2 4.24Å; L615-W737 HydrophobicContact CD2-CH2 3.78Å; L615-W737 HydrophobicContact CD2-CZ2 3.77Å; L615-W737 WeakPolarHBondContact O-CZ2 3.41Å; P617-W737 HydrophobicContact CB-CD2 4.24Å; P617-W737 HydrophobicContact CB-CE3 4.17Å; P617-W737 HydrophobicContact CB-CH2 4.12Å; P617-W737 HydrophobicContact CB-CZ2 3.88Å; P617-W737 HydrophobicContact CB-CZ3 4.15Å; P617-W737 HydrophobicContact CG-CH2 3.89Å; P617-W737 HydrophobicContact CG-CZ2 4.22Å; P617-W737 HydrophobicContact CG-CZ3 3.91Å; R620-W737 VanDerWaalsContact CD-CD1 3.49Å; W737-I835 HydrophobicContact CH2-CG2 3.84Å; W737-I835 HydrophobicContact CZ3-CG2 4.34Å; W737-R836 HydrophobicContact CE3-CB 4.14Å; W737-R836 HydrophobicContact CE3-CG 4.41Å; W737-R836 VanDerWaalsContact CE3-NH1 3.27Å; W737-R836 HydrophobicContact CH2-CB 4.11Å; W737-R836 HydrophobicContact CH2-CG 4.29Å; W737-R836 HydrophobicContact CZ3-CB 3.6Å; W737-R836 HydrophobicContact CZ3-CG 4Å; W737-A839 HydrophobicContact CH2-CB 3.84Å; W737-A839 HydrophobicContact CZ2-CB 3.72Å; W737-L840 HydrophobicContact CH2-CD2 4.25Å; W737-L840 HydrophobicContact CH2-CG 4.12Å; W737-L840 HydrophobicContact CZ3-CD2 3.98Å; W737-L840 HydrophobicContact CZ3-CG 4.06Å | ||
| 738 | S | 71.8 | Confident | 82.2 | Confident | 16.3333 Ų | 16.3333 | 37.5 Ų | 37.5 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | trans | -86.7 | 160.8 | 167.3 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | E740 Y784 R836 | S738-E740 PolarHBondContact O-N 3.24Å; S738-Y784 WeakPolarHBondContact OG-CE2 3.41Å; S738-Y784 PolarHBondContact OG-OH 3.14Å; S738-Y784 VanDerWaalsContact OG-OH 3.1Å; S738-R836 VanDerWaalsContact O-CZ 3.24Å; S738-R836 PolarHBondContact O-NH1 3.25Å; S738-R836 PolarHBondContact O-NH2 3.13Å; S738-R836 PolarHBondContact OG-NH1 2.89Å | ||
| 739 | S | 72.8 | Confident | 82 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 47% | 0.469 | 20% | 0.201 | S | C | . | . | trans | -74.9 | -8.1 | 170.5 | -42.5 | 0 | 0 | 0 | 0 | 113.5 | I622 V741 | I622-S739 WeakPolarHBondContact CG2-OG 3.39Å; S739-V741 WeakPolarHBondContact O-CG2 3.22Å | ||
| 740 | E | 77.3 | Confident | 81.8 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | trans | -63.3 | 140.1 | -172.6 | -68.1 | 175.3 | -151.6 | 0 | 0 | 112 | S738 H783 Y784 S787 R836 | S738-E740 PolarHBondContact O-N 3.24Å; E740-H783 IonicContact OE2-ND1 2.69Å; E740-Y784 HydrophobicContact CB-CD2 4.03Å; E740-Y784 HydrophobicContact CB-CE2 4Å; E740-Y784 WeakPolarHBondContact OE2-CD2 3.4Å; E740-S787 PolarHBondContact OE1-OG 3.38Å; E740-R836 PolarHBondContact O-NH2 3.36Å | ||
| 741 | V | 83.1 | Confident | 81.8 | Confident | 71.6667 Ų | 71.6667 | 43.3 Ų | 43.3 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | trans | -118.1 | 139.2 | -175.5 | -171.6 | 0 | 0 | 0 | 0 | 106.9 | S739 Y745 | S739-V741 WeakPolarHBondContact O-CG2 3.22Å; V741-Y745 VanDerWaalsContact CG1-CB 3.49Å; V741-Y745 HydrophobicContact CG1-CD1 3.84Å; V741-Y745 HydrophobicContact CG1-CD2 3.46Å; V741-Y745 VanDerWaalsContact CG1-CD2 3.46Å; V741-Y745 HydrophobicContact CG1-CE1 4.42Å; V741-Y745 HydrophobicContact CG1-CE2 4.09Å; V741-Y745 HydrophobicContact CG1-CG 3.32Å | ||
| 742 | P | 86.7 | Confident | 82.1 | Confident | 2.66667 Ų | 2.66667 | 43.1 Ų | 43.1 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | trans | -63.1 | 149.9 | -174.2 | 24.8 | -35 | 0 | 0 | 0 | 112 | T744 Y745 F780 W852 F855 | P742-T744 PolarHBondContact O-N 3.07Å; P742-Y745 WeakPolarHBondContact O-CB 3.35Å; P742-Y745 PolarHBondContact O-N 3.28Å; P742-F780 HydrophobicContact CB-CE1 4.39Å; P742-W852 HydrophobicContact CG-CD2 4.19Å; P742-W852 HydrophobicContact CG-CG 4.37Å; P742-F855 HydrophobicContact CB-CB 3.66Å; P742-F855 HydrophobicContact CB-CD1 4.14Å; P742-F855 HydrophobicContact CB-CD2 3.77Å; P742-F855 HydrophobicContact CB-CE2 4.5Å; P742-F855 HydrophobicContact CB-CG 3.57Å; P742-F855 HydrophobicContact CG-CB 4.16Å; P742-F855 HydrophobicContact CG-CG 4.49Å | ||
| 743 | P | 83.8 | Confident | 82.1 | Confident | 34.3333 Ų | 34.3333 | 46.6 Ų | 46.6 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.6 | -176.6 | 25.3 | -36.1 | 0 | 0 | 0 | 113.5 | Y745 V776 I777 F780 F855 | P743-Y745 VanDerWaalsContact C-N 3.27Å; P743-Y745 PolarHBondContact O-N 3.02Å; P743-V776 HydrophobicContact CB-CG1 4.36Å; P743-V776 HydrophobicContact CG-CG1 4.48Å; P743-I777 HydrophobicContact CG-CD1 4.09Å; P743-F780 VanDerWaalsContact CD-CD1 3.43Å; P743-F780 HydrophobicContact CG-CB 4.13Å; P743-F780 HydrophobicContact CG-CD1 4.21Å; P743-F780 HydrophobicContact CG-CD2 4.47Å; P743-F780 HydrophobicContact CG-CG 4Å; P743-F855 HydrophobicContact CG-CD2 4.25Å; P743-F855 HydrophobicContact CG-CE2 4.04Å |
| 744 | T | 84.8 | Confident | 82.2 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.9 | 175.2 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | P742 L747 F752 I777 F855 L858 | P742-T744 PolarHBondContact O-N 3.07Å; T744-L747 HydrophobicContact CG2-CD1 4.39Å; T744-F752 HydrophobicContact CG2-CD2 4.16Å; T744-F752 HydrophobicContact CG2-CE2 3.73Å; T744-I777 HydrophobicContact CG2-CD1 3.97Å; T744-F855 HydrophobicContact CG2-CB 4.45Å; T744-F855 HydrophobicContact CG2-CD2 4.35Å; T744-L858 HydrophobicContact CG2-CD1 3.99Å |
| 745 | Y | 84.8 | Confident | 82.5 | Confident | 129.667 Ų | 129.667 | 49.7 Ų | 49.7 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -36 | -172.5 | 177.5 | -92.8 | 0 | 0 | 0 | 114.4 | V741 P742 P743 H851 | V741-Y745 VanDerWaalsContact CG1-CB 3.49Å; V741-Y745 HydrophobicContact CG1-CD1 3.84Å; V741-Y745 HydrophobicContact CG1-CD2 3.46Å; V741-Y745 VanDerWaalsContact CG1-CD2 3.46Å; V741-Y745 HydrophobicContact CG1-CE1 4.42Å; V741-Y745 HydrophobicContact CG1-CE2 4.09Å; V741-Y745 HydrophobicContact CG1-CG 3.32Å; P742-Y745 WeakPolarHBondContact O-CB 3.35Å; P742-Y745 PolarHBondContact O-N 3.28Å; P743-Y745 VanDerWaalsContact C-N 3.27Å; P743-Y745 PolarHBondContact O-N 3.02Å; Y745-H851 HydrophobicContact CD2-CB 4.05Å; Y745-H851 AromaticContact CD2-CD2 3.56Å; Y745-H851 VanDerWaalsContact CD2-CD2 3.44Å; Y745-H851 WeakPolarHBondContact CD2-CD2 3.44Å; Y745-H851 AromaticContact CD2-CG 3.6Å; Y745-H851 AromaticContact CD2-ND1 3.98Å; Y745-H851 AromaticContact CD2-NE2 3.83Å |
| 746 | S | 83 | Confident | 82.9 | Confident | 104 Ų | 104 | 49.9 Ų | 49.9 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 3.6 | -178.9 | 58.2 | 0 | 0 | 0 | 0 | 114 | ||
| 747 | L | 86.2 | Confident | 83.4 | Confident | 27.3333 Ų | 27.3333 | 48.4 Ų | 48.4 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | trans | -80.4 | 137.1 | -178.5 | -58.4 | -178.6 | 0 | 0 | 0 | 110.7 | T744 E751 F752 F755 W1098 | T744-L747 HydrophobicContact CG2-CD1 4.39Å; L747-E751 HydrophobicContact CB-CB 4.22Å; L747-E751 HydrophobicContact CD2-CB 4.27Å; L747-F752 HydrophobicContact CB-CB 4.4Å; L747-F752 HydrophobicContact CD1-CB 4.46Å; L747-F752 HydrophobicContact CD1-CD2 4.3Å; L747-F755 HydrophobicContact CD1-CD1 4.5Å; L747-F755 HydrophobicContact CD1-CD2 3.5Å; L747-F755 VanDerWaalsContact CD1-CD2 3.47Å; L747-F755 HydrophobicContact CD1-CE2 3.49Å; L747-F755 VanDerWaalsContact CD1-CE2 3.47Å; L747-F755 HydrophobicContact CD1-CG 4.13Å; L747-F755 HydrophobicContact CD1-CZ 4.11Å; L747-F755 HydrophobicContact CD2-CD2 4.45Å; L747-F755 HydrophobicContact CD2-CE2 3.83Å; L747-F755 HydrophobicContact CD2-CZ 4.36Å; L747-F755 HydrophobicContact CG-CE2 4.34Å; L747-W1098 WeakPolarHBondContact O-CH2 3.42Å; L747-W1098 VanDerWaalsContact O-CZ2 3.28Å; L747-W1098 WeakPolarHBondContact O-CZ2 3.3Å | ||
| 748 | S | 86.6 | Confident | 84 | Confident | 47.6667 Ų | 47.6667 | 51.2 Ų | 51.2 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | trans | -68 | 159.3 | 160.7 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | T750 E751 F752 | S748-T750 PolarHBondContact O-N 3.11Å; S748-T750 PolarHBondContact OG-OG1 3.17Å; S748-E751 VanDerWaalsContact CB-OE2 3.28Å; S748-E751 WeakPolarHBondContact CB-OE2 3.32Å; S748-E751 PolarHBondContact N-OE2 3.26Å; S748-E751 WeakPolarHBondContact O-CA 3.41Å; S748-E751 WeakPolarHBondContact O-CB 3.46Å; S748-E751 PolarHBondContact O-N 2.99Å; S748-E751 VanDerWaalsContact OG-CD 3.27Å; S748-E751 VanDerWaalsContact OG-CG 3.25Å; S748-E751 WeakPolarHBondContact OG-CG 3.48Å; S748-E751 PolarHBondContact OG-N 3.19Å; S748-E751 PolarHBondContact OG-OE2 3.25Å; S748-F752 PolarHBondContact O-N 3.18Å | ||
| 749 | G | 85.1 | Confident | 84.6 | Confident | 7 Ų | 7 | 52 Ų | 52 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E751 F752 L753 I1101 | G749-E751 VanDerWaalsContact C-N 3.33Å; G749-E751 PolarHBondContact O-N 3.26Å; G749-F752 PolarHBondContact O-N 3.12Å; G749-L753 WeakPolarHBondContact O-CG 3.36Å; G749-L753 PolarHBondContact O-N 3.05Å; G749-I1101 WeakPolarHBondContact O-CD1 3.42Å |
| 750 | T | 85.4 | Confident | 85 | Confident | 86.6667 Ų | 86.6667 | 51.5 Ų | 51.5 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.6 | -22.6 | 175.2 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | S748 | S748-T750 PolarHBondContact O-N 3.11Å; S748-T750 PolarHBondContact OG-OG1 3.17Å |
| 751 | E | 87.3 | Confident | 85.3 | Confident | 80.3333 Ų | 80.3333 | 48.7 Ų | 48.7 | 38% | 0.375 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -84.6 | -40.4 | 170 | -69.6 | 163.4 | 132.1 | 0 | 0 | 111.2 | L747 S748 G749 L753 K754 F755 | L747-E751 HydrophobicContact CB-CB 4.22Å; L747-E751 HydrophobicContact CD2-CB 4.27Å; S748-E751 VanDerWaalsContact CB-OE2 3.28Å; S748-E751 WeakPolarHBondContact CB-OE2 3.32Å; S748-E751 PolarHBondContact N-OE2 3.26Å; S748-E751 WeakPolarHBondContact O-CA 3.41Å; S748-E751 WeakPolarHBondContact O-CB 3.46Å; S748-E751 PolarHBondContact O-N 2.99Å; S748-E751 VanDerWaalsContact OG-CD 3.27Å; S748-E751 VanDerWaalsContact OG-CG 3.25Å; S748-E751 WeakPolarHBondContact OG-CG 3.48Å; S748-E751 PolarHBondContact OG-N 3.19Å; S748-E751 PolarHBondContact OG-OE2 3.25Å; G749-E751 VanDerWaalsContact C-N 3.33Å; G749-E751 PolarHBondContact O-N 3.26Å; E751-L753 VanDerWaalsContact C-N 3.25Å; E751-L753 PolarHBondContact O-N 3.31Å; E751-K754 WeakPolarHBondContact O-CA 3.24Å; E751-K754 VanDerWaalsContact O-CB 3.27Å; E751-K754 WeakPolarHBondContact O-CB 3.23Å; E751-K754 PolarHBondContact O-N 3.18Å; E751-F755 WeakPolarHBondContact O-CD2 3.33Å; E751-F755 PolarHBondContact O-N 3.37Å |
| 752 | F | 89.9 | Confident | 85.2 | Confident | 0.333333 Ų | 0.333333 | 45.4 Ų | 45.4 | 0% | 0.001 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 175.5 | -172.5 | -80.9 | 0 | 0 | 0 | 111.8 | T744 L747 S748 G749 K754 F755 M756 R854 L858 W1098 I1101 L1105 | T744-F752 HydrophobicContact CG2-CD2 4.16Å; T744-F752 HydrophobicContact CG2-CE2 3.73Å; L747-F752 HydrophobicContact CB-CB 4.4Å; L747-F752 HydrophobicContact CD1-CB 4.46Å; L747-F752 HydrophobicContact CD1-CD2 4.3Å; S748-F752 PolarHBondContact O-N 3.18Å; G749-F752 PolarHBondContact O-N 3.12Å; F752-K754 PolarHBondContact O-N 3.07Å; F752-K754 VanDerWaalsContact O-N 3.16Å; F752-F755 CarbonylContact O-C 3.46Å; F752-F755 WeakPolarHBondContact O-CA 3.47Å; F752-F755 WeakPolarHBondContact O-CB 3.26Å; F752-F755 PolarHBondContact O-N 3.19Å; F752-M756 PolarHBondContact O-N 3.23Å; F752-R854 HydrophobicContact CE2-CB 3.85Å; F752-R854 HydrophobicContact CZ-CB 3.92Å; F752-R854 HydrophobicContact CZ-CG 4.48Å; F752-L858 HydrophobicContact CE1-CD1 4.26Å; F752-L858 HydrophobicContact CE1-CD2 4.32Å; F752-L858 HydrophobicContact CE1-CG 4.41Å; F752-L858 HydrophobicContact CE2-CD1 3.8Å; F752-L858 HydrophobicContact CE2-CG 4.4Å; F752-L858 HydrophobicContact CZ-CD1 3.6Å; F752-L858 HydrophobicContact CZ-CD2 4.19Å; F752-L858 HydrophobicContact CZ-CG 3.8Å; F752-W1098 HydrophobicContact CB-CH2 3.94Å; F752-W1098 HydrophobicContact CB-CZ3 3.94Å; F752-W1098 HydrophobicContact CD1-CZ3 4.41Å; F752-W1098 HydrophobicContact CD2-CH2 4.28Å; F752-W1098 HydrophobicContact CD2-CZ3 4.05Å; F752-W1098 HydrophobicContact CG-CH2 4.23Å; F752-W1098 AromaticContact CG-CZ3 3.86Å; F752-W1098 HydrophobicContact CG-CZ3 3.86Å; F752-I1101 HydrophobicContact CD1-CD1 4.4Å; F752-I1101 HydrophobicContact CD1-CG2 3.53Å; F752-I1101 HydrophobicContact CE1-CG2 3.55Å; F752-I1101 HydrophobicContact CG-CG2 4.49Å; F752-L1105 HydrophobicContact CE1-CD1 3.87Å; F752-L1105 HydrophobicContact CE1-CD2 4.37Å; F752-L1105 HydrophobicContact CE1-CG 4.42Å; F752-L1105 HydrophobicContact CZ-CD1 3.89Å |
| 753 | L | 86.8 | Confident | 85 | Confident | 77.6667 Ų | 77.6667 | 47.5 Ų | 47.5 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.5 | -23.3 | 173.6 | -76.7 | 168.1 | 0 | 0 | 0 | 113.9 | G749 E751 M756 I1101 | G749-L753 WeakPolarHBondContact O-CG 3.36Å; G749-L753 PolarHBondContact O-N 3.05Å; E751-L753 VanDerWaalsContact C-N 3.25Å; E751-L753 PolarHBondContact O-N 3.31Å; L753-M756 HydrophobicContact CD2-SD 4.31Å; L753-M756 WeakPolarHBondContact O-CB 3.42Å; L753-M756 PolarHBondContact O-N 3.44Å; L753-I1101 HydrophobicContact CD1-CD1 4.4Å; L753-I1101 HydrophobicContact CD1-CG1 4.45Å; L753-I1101 HydrophobicContact CD2-CD1 4.48Å; L753-I1101 HydrophobicContact CD2-CG1 3.92Å; L753-I1101 HydrophobicContact CG-CD1 4.01Å; L753-I1101 HydrophobicContact CG-CG1 4Å |
| 754 | K | 85.6 | Confident | 84.9 | Confident | 116.333 Ų | 116.333 | 46.6 Ų | 46.6 | 51% | 0.506 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -76.6 | -26.6 | 173.5 | -54 | 174.3 | -174.1 | 170.2 | 0 | 112.6 | E751 F752 M756 Y773 | E751-K754 WeakPolarHBondContact O-CA 3.24Å; E751-K754 VanDerWaalsContact O-CB 3.27Å; E751-K754 WeakPolarHBondContact O-CB 3.23Å; E751-K754 PolarHBondContact O-N 3.18Å; F752-K754 PolarHBondContact O-N 3.07Å; F752-K754 VanDerWaalsContact O-N 3.16Å; K754-M756 VanDerWaalsContact C-N 3.28Å; K754-Y773 HydrophobicContact CB-CE1 4.31Å; K754-Y773 HydrophobicContact CB-CE2 4.13Å; K754-Y773 VanDerWaalsContact O-CD2 3.25Å; K754-Y773 WeakPolarHBondContact O-CD2 3.42Å |
| 755 | F | 85.5 | Confident | 84.6 | Confident | 24.3333 Ų | 24.3333 | 48.9 Ų | 48.9 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -82.2 | -1.4 | 171.7 | -73.3 | -103 | 0 | 0 | 0 | 112.5 | L747 E751 F752 Y773 V776 I777 L858 Y862 | L747-F755 HydrophobicContact CD1-CD1 4.5Å; L747-F755 HydrophobicContact CD1-CD2 3.5Å; L747-F755 VanDerWaalsContact CD1-CD2 3.47Å; L747-F755 HydrophobicContact CD1-CE2 3.49Å; L747-F755 VanDerWaalsContact CD1-CE2 3.47Å; L747-F755 HydrophobicContact CD1-CG 4.13Å; L747-F755 HydrophobicContact CD1-CZ 4.11Å; L747-F755 HydrophobicContact CD2-CD2 4.45Å; L747-F755 HydrophobicContact CD2-CE2 3.83Å; L747-F755 HydrophobicContact CD2-CZ 4.36Å; L747-F755 HydrophobicContact CG-CE2 4.34Å; E751-F755 WeakPolarHBondContact O-CD2 3.33Å; E751-F755 PolarHBondContact O-N 3.37Å; F752-F755 CarbonylContact O-C 3.46Å; F752-F755 WeakPolarHBondContact O-CA 3.47Å; F752-F755 WeakPolarHBondContact O-CB 3.26Å; F752-F755 PolarHBondContact O-N 3.19Å; F755-Y773 AromaticContact CD1-CD1 3.83Å; F755-Y773 HydrophobicContact CD1-CD1 3.83Å; F755-Y773 HydrophobicContact CD1-CG 4.3Å; F755-Y773 AromaticContact CD2-CD1 3.9Å; F755-Y773 HydrophobicContact CD2-CD1 3.9Å; F755-Y773 HydrophobicContact CD2-CE1 4.25Å; F755-Y773 AromaticContact CE1-CD1 3.73Å; F755-Y773 HydrophobicContact CE1-CD1 3.73Å; F755-Y773 AromaticContact CE2-CD1 3.79Å; F755-Y773 HydrophobicContact CE2-CD1 3.79Å; F755-Y773 AromaticContact CE2-CE1 3.97Å; F755-Y773 HydrophobicContact CE2-CE1 3.97Å; F755-Y773 AromaticContact CG-CD1 3.93Å; F755-Y773 HydrophobicContact CG-CD1 3.93Å; F755-Y773 HydrophobicContact CG-CG 4.41Å; F755-Y773 AromaticContact CZ-CD1 3.71Å; F755-Y773 HydrophobicContact CZ-CD1 3.71Å; F755-Y773 HydrophobicContact CZ-CE1 4.17Å; F755-V776 HydrophobicContact CE1-CB 4.34Å; F755-V776 HydrophobicContact CE1-CG1 4.15Å; F755-I777 HydrophobicContact CD1-CD1 4.13Å; F755-I777 HydrophobicContact CD1-CG1 4.1Å; F755-L858 HydrophobicContact CB-CD1 3.87Å; F755-L858 WeakPolarHBondContact O-CD2 3.34Å; F755-Y862 PolarHBondContact O-OH 3.17Å; F755-Y862 VanDerWaalsContact O-OH 3.05Å |
| 756 | M | 87 | Confident | 83.7 | Confident | 17.6667 Ų | 17.6667 | 47.6 Ų | 47.6 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -82.5 | 124.6 | 176.4 | -167.1 | 162.9 | -174 | 0 | 0 | 110 | F752 L753 K754 F759 E1104 L1105 R1108 | F752-M756 PolarHBondContact O-N 3.23Å; L753-M756 HydrophobicContact CD2-SD 4.31Å; L753-M756 WeakPolarHBondContact O-CB 3.42Å; L753-M756 PolarHBondContact O-N 3.44Å; K754-M756 VanDerWaalsContact C-N 3.28Å; M756-F759 HydrophobicContact CE-CE2 4.14Å; M756-F759 HydrophobicContact CG-CE2 4.44Å; M756-E1104 HydrophobicContact CE-CB 4.08Å; M756-E1104 VanDerWaalsContact CE-CD 3.47Å; M756-E1104 HydrophobicContact CE-CG 3.69Å; M756-E1104 WeakPolarHBondContact CE-OE1 3.49Å; M756-L1105 HydrophobicContact CE-CD2 4.37Å; M756-R1108 HydrophobicContact CE-CG 3.65Å |
| 757 | P | 85.4 | Confident | 82.5 | Confident | 4.33333 Ų | 4.33333 | 49.7 Ų | 49.7 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -64 | 151.5 | 179.7 | 21.8 | -30.7 | 0 | 0 | 0 | 112.3 | F759 V764 L861 Y862 | P757-F759 HydrophobicContact CB-CE2 4.46Å; P757-F759 HydrophobicContact CG-CE2 4Å; P757-F759 HydrophobicContact CG-CZ 3.91Å; P757-F759 WeakPolarHBondContact O-CD2 3.39Å; P757-F759 WeakPolarHBondContact O-CE2 3.45Å; P757-V764 HydrophobicContact CB-CB 4.34Å; P757-V764 HydrophobicContact CB-CG1 3.66Å; P757-V764 HydrophobicContact CB-CG2 3.77Å; P757-V764 HydrophobicContact CG-CG2 3.79Å; P757-L861 HydrophobicContact CG-CB 4.11Å; P757-Y862 HydrophobicContact CB-CD1 4.39Å; P757-Y862 HydrophobicContact CB-CE1 3.88Å; P757-Y862 HydrophobicContact CG-CE1 4.34Å |
| 758 | L | 85.5 | Confident | 80.9 | Confident | 97.3333 Ų | 97.3333 | 49.6 Ų | 49.6 | 51% | 0.51 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 142.5 | 170.7 | -69.4 | 171.9 | 0 | 0 | 0 | 110.4 | V764 N765 S768 T770 | L758-V764 CarbonylContact O-C 3.59Å; L758-V764 WeakPolarHBondContact O-CA 3.37Å; L758-N765 HydrophobicContact CB-CB 4.43Å; L758-N765 PolarHBondContact O-N 3.04Å; L758-S768 WeakPolarHBondContact CD1-OG 3.47Å; L758-T770 HydrophobicContact CD1-CG2 4.42Å; L758-T770 HydrophobicContact CG-CG2 4.36Å |
| 759 | F | 84.8 | Confident | 79.2 | Confident | 33.3333 Ų | 33.3333 | 56.5 Ų | 56.5 | 15% | 0.146 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.3 | -172.5 | -71.2 | -90.2 | 0 | 0 | 0 | 113.6 | M756 P757 H763 V764 L861 R1108 | M756-F759 HydrophobicContact CE-CE2 4.14Å; M756-F759 HydrophobicContact CG-CE2 4.44Å; P757-F759 HydrophobicContact CB-CE2 4.46Å; P757-F759 HydrophobicContact CG-CE2 4Å; P757-F759 HydrophobicContact CG-CZ 3.91Å; P757-F759 WeakPolarHBondContact O-CD2 3.39Å; P757-F759 WeakPolarHBondContact O-CE2 3.45Å; F759-H763 CarbonylContact C-O 3.42Å; F759-H763 VanDerWaalsContact CA-O 3.27Å; F759-H763 WeakPolarHBondContact CA-O 3.34Å; F759-H763 WeakPolarHBondContact CD1-O 3.39Å; F759-V764 HydrophobicContact CD1-CG2 4.29Å; F759-V764 HydrophobicContact CE1-CG2 3.8Å; F759-V764 HydrophobicContact CZ-CG2 4.18Å; F759-L861 HydrophobicContact CE1-CD2 4.01Å; F759-L861 HydrophobicContact CZ-CD1 4.13Å; F759-L861 HydrophobicContact CZ-CD2 3.91Å; F759-L861 HydrophobicContact CZ-CG 4.35Å; F759-R1108 VanDerWaalsContact CB-NH1 3.32Å; F759-R1108 HydrophobicContact CD2-CG 4.3Å; F759-R1108 HydrophobicContact CE1-CB 4.03Å; F759-R1108 HydrophobicContact CE1-CG 4.11Å; F759-R1108 HydrophobicContact CE2-CB 4.32Å; F759-R1108 HydrophobicContact CE2-CG 3.66Å; F759-R1108 HydrophobicContact CZ-CB 3.69Å; F759-R1108 HydrophobicContact CZ-CG 3.56Å |
| 760 | S | 79.9 | Confident | 77.9 | Confident | 55.3333 Ų | 55.3333 | 57.4 Ų | 57.4 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 103.7 | 166.9 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | A762 H763 N765 | S760-A762 PolarHBondContact O-N 3.22Å; S760-H763 PolarHBondContact N-O 2.95Å; S760-H763 PolarHBondContact O-N 3.24Å; S760-N765 WeakPolarHBondContact CB-OD1 3.16Å; S760-N765 PolarHBondContact N-OD1 3.13Å |
| 761 | G | 83.2 | Confident | 76.9 | Confident | 1.33333 Ų | 1.33333 | 57.4 Ų | 57.4 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | -127 | -167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1156 | G761-S1156 WeakPolarHBondContact O-CB 3.32Š|
| 762 | A | 81.6 | Confident | 76.4 | Confident | 2.33333 Ų | 2.33333 | 59.2 Ų | 59.2 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S760 F1111 K1115 E1160 | S760-A762 PolarHBondContact O-N 3.22Å; A762-F1111 HydrophobicContact CB-CD1 3.55Å; A762-F1111 HydrophobicContact CB-CE1 3.73Å; A762-F1111 HydrophobicContact CB-CG 4.17Å; A762-F1111 HydrophobicContact CB-CZ 4.46Å; A762-K1115 HydrophobicContact CB-CB 4.24Å; A762-K1115 HydrophobicContact CB-CD 3.78Å; A762-E1160 WeakPolarHBondContact CB-OE2 3.41Å; A762-E1160 PolarHBondContact N-OE2 3.13Å |
| 763 | H | 82.4 | Confident | 76 | Confident | 46.3333 Ų | 46.3333 | 63.4 Ų | 63.4 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 154.3 | -177.6 | -63.5 | -70.9 | 0 | 0 | 0 | 113.1 | F759 S760 N865 K1115 | F759-H763 CarbonylContact C-O 3.42Å; F759-H763 VanDerWaalsContact CA-O 3.27Å; F759-H763 WeakPolarHBondContact CA-O 3.34Å; F759-H763 WeakPolarHBondContact CD1-O 3.39Å; S760-H763 PolarHBondContact N-O 2.95Å; S760-H763 PolarHBondContact O-N 3.24Å; H763-N865 PolarHBondContact ND1-OD1 3.17Å; H763-K1115 PolarHBondContact CD2-NZ 3.14Å; H763-K1115 VanDerWaalsContact CD2-NZ 3.28Å; H763-K1115 VanDerWaalsContact NE2-CD 3.32Å; H763-K1115 WeakPolarHBondContact NE2-CD 3.26Å; H763-K1115 WeakPolarHBondContact NE2-CE 3.39Å; H763-K1115 PolarHBondContact NE2-NZ 3.17Å |
| 764 | V | 82.3 | Confident | 75.7 | Confident | 15.6667 Ų | 15.6667 | 60.3 Ų | 60.3 | 10% | 0.095 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.4 | 165.3 | 172.1 | 0 | 0 | 0 | 0 | 109.4 | P757 L758 F759 S766 L861 N865 | P757-V764 HydrophobicContact CB-CB 4.34Å; P757-V764 HydrophobicContact CB-CG1 3.66Å; P757-V764 HydrophobicContact CB-CG2 3.77Å; P757-V764 HydrophobicContact CG-CG2 3.79Å; L758-V764 CarbonylContact O-C 3.59Å; L758-V764 WeakPolarHBondContact O-CA 3.37Å; F759-V764 HydrophobicContact CD1-CG2 4.29Å; F759-V764 HydrophobicContact CE1-CG2 3.8Å; F759-V764 HydrophobicContact CZ-CG2 4.18Å; V764-S766 PolarHBondContact O-N 3.13Å; V764-L861 HydrophobicContact CG2-CB 4.45Å; V764-L861 WeakPolarHBondContact CG2-O 3.42Å; V764-N865 PolarHBondContact O-ND2 3.06Å |
| 765 | N | 78.3 | Confident | 75.7 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | trans | -70.2 | 129.3 | 176.9 | -96.8 | 8 | 0 | 0 | 0 | 110.7 | L758 S760 D767 S768 | L758-N765 HydrophobicContact CB-CB 4.43Å; L758-N765 PolarHBondContact O-N 3.04Å; S760-N765 WeakPolarHBondContact CB-OD1 3.16Å; S760-N765 PolarHBondContact N-OD1 3.13Å; N765-D767 VanDerWaalsContact C-N 3.3Å; N765-D767 PolarHBondContact ND2-N 3.49Å; N765-D767 PolarHBondContact O-N 3.45Å; N765-S768 WeakPolarHBondContact CB-OG 3.47Å; N765-S768 PolarHBondContact ND2-OG 3.35Å | ||
| 766 | S | 65.9 | Low | 75.7 | Confident | 103 Ų | 103 | 60.9 Ų | 60.9 | 72% | 0.72 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -73.4 | -22.4 | 174.8 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | V764 | V764-S766 PolarHBondContact O-N 3.13Š|
| 767 | D | 58.7 | Low | 75.7 | Confident | 146.333 Ų | 146.333 | 60 Ų | 60 | 78% | 0.783 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -103.8 | 8 | -157.2 | -55.9 | -6.6 | 0 | 0 | 0 | 113.8 | N765 | N765-D767 VanDerWaalsContact C-N 3.3Å; N765-D767 PolarHBondContact ND2-N 3.49Å; N765-D767 PolarHBondContact O-N 3.45Å |
| 768 | S | 51.3 | Low | 75.8 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -124 | 119 | -169.4 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | L758 N765 T770 | L758-S768 WeakPolarHBondContact CD1-OG 3.47Å; N765-S768 WeakPolarHBondContact CB-OG 3.47Å; N765-S768 PolarHBondContact ND2-OG 3.35Å; S768-T770 PolarHBondContact O-N 2.85Å; S768-T770 PolarHBondContact O-OG1 3.19Å; S768-T770 PolarHBondContact OG-OG1 3.49Å |
| 769 | E | 51.8 | Low | 75.9 | Confident | 193.667 Ų | 193.667 | 61 Ų | 61 | 91% | 0.905 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 15.3 | 9.5 | 157.4 | -59 | -178.3 | 153.3 | 0 | 0 | 118.9 | T771 | E769-T771 PolarHBondContact O-N 3.05Š|
| 770 | T | 57.9 | Low | 76.1 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 16% | 0.16 | 34% | 0.336 | C | S | . | . | trans | -95.8 | 11.9 | -174.1 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | L758 S768 D772 Y773 A774 | L758-T770 HydrophobicContact CD1-CG2 4.42Å; L758-T770 HydrophobicContact CG-CG2 4.36Å; S768-T770 PolarHBondContact O-N 2.85Å; S768-T770 PolarHBondContact O-OG1 3.19Å; S768-T770 PolarHBondContact OG-OG1 3.49Å; T770-D772 VanDerWaalsContact C-N 3.34Å; T770-D772 PolarHBondContact O-N 3.1Å; T770-Y773 PolarHBondContact O-N 3.09Å; T770-A774 WeakPolarHBondContact O-CB 3.32Å; T770-A774 PolarHBondContact O-N 3.05Å; T770-A774 VanDerWaalsContact O-N 3.1Å | ||
| 771 | T | 63.7 | Low | 76.4 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 52% | 0.521 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.4 | -49.9 | -176.6 | 41.7 | 0 | 0 | 0 | 0 | 112.4 | E769 Y773 A774 D775 | E769-T771 PolarHBondContact O-N 3.05Å; T771-Y773 VanDerWaalsContact C-N 3.33Å; T771-Y773 PolarHBondContact O-N 3.14Å; T771-A774 WeakPolarHBondContact O-CB 3.4Å; T771-A774 PolarHBondContact O-N 3.12Å; T771-A774 VanDerWaalsContact O-N 3.12Å; T771-D775 WeakPolarHBondContact O-CB 3.39Å; T771-D775 PolarHBondContact O-N 3.32Å |
| 772 | D | 76.5 | Confident | 76.7 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | -170.1 | -59.8 | 22.5 | 0 | 0 | 0 | 111.7 | T770 V776 | T770-D772 VanDerWaalsContact C-N 3.34Å; T770-D772 PolarHBondContact O-N 3.1Å; D772-V776 WeakPolarHBondContact O-CG2 3.29Å; D772-V776 PolarHBondContact O-N 3.06Å |
| 773 | Y | 81.5 | Confident | 76.8 | Confident | 88.6667 Ų | 88.6667 | 68.5 Ų | 68.5 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.5 | -39.3 | 175.2 | -62.4 | -67.3 | 0 | 0 | 0 | 112.3 | K754 F755 T770 T771 D775 V776 I777 | K754-Y773 HydrophobicContact CB-CE1 4.31Å; K754-Y773 HydrophobicContact CB-CE2 4.13Å; K754-Y773 VanDerWaalsContact O-CD2 3.25Å; K754-Y773 WeakPolarHBondContact O-CD2 3.42Å; F755-Y773 AromaticContact CD1-CD1 3.83Å; F755-Y773 HydrophobicContact CD1-CD1 3.83Å; F755-Y773 HydrophobicContact CD1-CG 4.3Å; F755-Y773 AromaticContact CD2-CD1 3.9Å; F755-Y773 HydrophobicContact CD2-CD1 3.9Å; F755-Y773 HydrophobicContact CD2-CE1 4.25Å; F755-Y773 AromaticContact CE1-CD1 3.73Å; F755-Y773 HydrophobicContact CE1-CD1 3.73Å; F755-Y773 AromaticContact CE2-CD1 3.79Å; F755-Y773 HydrophobicContact CE2-CD1 3.79Å; F755-Y773 AromaticContact CE2-CE1 3.97Å; F755-Y773 HydrophobicContact CE2-CE1 3.97Å; F755-Y773 AromaticContact CG-CD1 3.93Å; F755-Y773 HydrophobicContact CG-CD1 3.93Å; F755-Y773 HydrophobicContact CG-CG 4.41Å; F755-Y773 AromaticContact CZ-CD1 3.71Å; F755-Y773 HydrophobicContact CZ-CD1 3.71Å; F755-Y773 HydrophobicContact CZ-CE1 4.17Å; T770-Y773 PolarHBondContact O-N 3.09Å; T771-Y773 VanDerWaalsContact C-N 3.33Å; T771-Y773 PolarHBondContact O-N 3.14Å; Y773-D775 VanDerWaalsContact C-N 3.34Å; Y773-V776 PolarHBondContact O-N 3.01Å; Y773-I777 WeakPolarHBondContact O-CG1 3.16Å; Y773-I777 PolarHBondContact O-N 3.27Å |
| 774 | A | 81.9 | Confident | 76.9 | Confident | 13.3333 Ų | 13.3333 | 66.4 Ų | 66.4 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T770 T771 V776 I777 L778 Y862 | T770-A774 WeakPolarHBondContact O-CB 3.32Å; T770-A774 PolarHBondContact O-N 3.05Å; T770-A774 VanDerWaalsContact O-N 3.1Å; T771-A774 WeakPolarHBondContact O-CB 3.4Å; T771-A774 PolarHBondContact O-N 3.12Å; T771-A774 VanDerWaalsContact O-N 3.12Å; A774-V776 PolarHBondContact O-N 2.9Å; A774-I777 PolarHBondContact O-N 3.12Å; A774-L778 HydrophobicContact CB-CD1 4.5Å; A774-L778 WeakPolarHBondContact O-CB 3.32Å; A774-L778 VanDerWaalsContact O-CG 3.26Å; A774-L778 WeakPolarHBondContact O-CG 3.37Å; A774-L778 PolarHBondContact O-N 3.11Å; A774-Y862 HydrophobicContact CB-CD1 3.61Å; A774-Y862 HydrophobicContact CB-CE1 3.47Å; A774-Y862 VanDerWaalsContact CB-CE1 3.47Å; A774-Y862 HydrophobicContact CB-CE2 4.47Å; A774-Y862 HydrophobicContact CB-CG 4.18Å |
| 775 | D | 84.5 | Confident | 76.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 178.4 | -81.7 | -27.1 | 0 | 0 | 0 | 112 | T771 Y773 N779 | T771-D775 WeakPolarHBondContact O-CB 3.39Å; T771-D775 PolarHBondContact O-N 3.32Å; Y773-D775 VanDerWaalsContact C-N 3.34Å; D775-N779 WeakPolarHBondContact O-CB 3.31Å; D775-N779 PolarHBondContact O-N 3.04Å; D775-N779 PolarHBondContact O-ND2 3.27Å |
| 776 | V | 86.5 | Confident | 77.2 | Confident | 70.3333 Ų | 70.3333 | 69.4 Ų | 69.4 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 173.5 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | P743 F755 D772 Y773 A774 F780 | P743-V776 HydrophobicContact CB-CG1 4.36Å; P743-V776 HydrophobicContact CG-CG1 4.48Å; F755-V776 HydrophobicContact CE1-CB 4.34Å; F755-V776 HydrophobicContact CE1-CG1 4.15Å; D772-V776 WeakPolarHBondContact O-CG2 3.29Å; D772-V776 PolarHBondContact O-N 3.06Å; Y773-V776 PolarHBondContact O-N 3.01Å; A774-V776 PolarHBondContact O-N 2.9Å; V776-F780 VanDerWaalsContact O-CB 3.28Å; V776-F780 WeakPolarHBondContact O-CB 3.3Å; V776-F780 PolarHBondContact O-N 3.14Å |
| 777 | I | 86.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 179.7 | -64 | -64.5 | 0 | 0 | 0 | 111.2 | P743 T744 F755 Y773 A774 S781 F855 L858 L859 Y862 | P743-I777 HydrophobicContact CG-CD1 4.09Å; T744-I777 HydrophobicContact CG2-CD1 3.97Å; F755-I777 HydrophobicContact CD1-CD1 4.13Å; F755-I777 HydrophobicContact CD1-CG1 4.1Å; Y773-I777 WeakPolarHBondContact O-CG1 3.16Å; Y773-I777 PolarHBondContact O-N 3.27Å; A774-I777 PolarHBondContact O-N 3.12Å; I777-S781 PolarHBondContact O-N 3.16Å; I777-S781 VanDerWaalsContact O-N 3.11Å; I777-F855 HydrophobicContact CD1-CD2 4.02Å; I777-F855 HydrophobicContact CD1-CE2 4Å; I777-F855 HydrophobicContact CG2-CE2 3.92Å; I777-F855 HydrophobicContact CG2-CZ 4.43Å; I777-L858 HydrophobicContact CD1-CD1 4.35Å; I777-L859 HydrophobicContact CG2-CB 4.14Å; I777-L859 HydrophobicContact CG2-CD1 4.04Å; I777-Y862 HydrophobicContact CB-CD2 4.48Å; I777-Y862 HydrophobicContact CG1-CE2 4.31Å; I777-Y862 HydrophobicContact CG2-CD2 4.34Å |
| 778 | L | 86.6 | Confident | 78.4 | Confident | 32.3333 Ų | 32.3333 | 59.3 Ų | 59.3 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -47 | -179 | -70.4 | 168.2 | 0 | 0 | 0 | 111.7 | A774 S781 K782 L859 T863 | A774-L778 HydrophobicContact CB-CD1 4.5Å; A774-L778 WeakPolarHBondContact O-CB 3.32Å; A774-L778 VanDerWaalsContact O-CG 3.26Å; A774-L778 WeakPolarHBondContact O-CG 3.37Å; A774-L778 PolarHBondContact O-N 3.11Å; L778-S781 PolarHBondContact O-N 3.28Å; L778-S781 PolarHBondContact O-OG 3.07Å; L778-K782 WeakPolarHBondContact O-CG 3.33Å; L778-K782 PolarHBondContact O-N 3.34Å; L778-L859 HydrophobicContact CD2-CD1 3.89Å; L778-T863 HydrophobicContact CD2-CG2 3.84Å |
| 779 | N | 88.3 | Confident | 79.4 | Confident | 90.6667 Ų | 90.6667 | 64 Ų | 64 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | -179.6 | -68.6 | -39.7 | 0 | 0 | 0 | 112 | D775 S781 K782 H783 | D775-N779 WeakPolarHBondContact O-CB 3.31Å; D775-N779 PolarHBondContact O-N 3.04Å; D775-N779 PolarHBondContact O-ND2 3.27Å; N779-S781 PolarHBondContact O-N 3.44Å; N779-K782 PolarHBondContact O-N 3.05Å; N779-H783 VanDerWaalsContact O-CB 3.29Å; N779-H783 WeakPolarHBondContact O-CB 3.43Å; N779-H783 PolarHBondContact O-N 3.27Å |
| 780 | F | 89.2 | Confident | 79.9 | Confident | 40.3333 Ų | 40.3333 | 57.1 Ų | 57.1 | 18% | 0.177 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 170.5 | 177.5 | -93.1 | 0 | 0 | 0 | 111.1 | P742 P743 V776 K782 H783 Y784 W852 F855 | P742-F780 HydrophobicContact CB-CE1 4.39Å; P743-F780 VanDerWaalsContact CD-CD1 3.43Å; P743-F780 HydrophobicContact CG-CB 4.13Å; P743-F780 HydrophobicContact CG-CD1 4.21Å; P743-F780 HydrophobicContact CG-CD2 4.47Å; P743-F780 HydrophobicContact CG-CG 4Å; V776-F780 VanDerWaalsContact O-CB 3.28Å; V776-F780 WeakPolarHBondContact O-CB 3.3Å; V776-F780 PolarHBondContact O-N 3.14Å; F780-K782 VanDerWaalsContact C-N 3.32Å; F780-K782 PolarHBondContact O-N 3.36Å; F780-H783 PolarHBondContact O-N 3.08Å; F780-Y784 HydrophobicContact CE1-CD2 4.32Å; F780-Y784 HydrophobicContact CE1-CG 4.44Å; F780-Y784 AromaticContact CZ-CD2 3.99Å; F780-Y784 HydrophobicContact CZ-CD2 4.08Å; F780-Y784 WeakPolarHBondContact O-CB 3.39Å; F780-Y784 PolarHBondContact O-N 2.97Å; F780-W852 HydrophobicContact CE1-CH2 4.39Å; F780-F855 HydrophobicContact CD1-CE1 4.39Å; F780-F855 AromaticContact CD1-CE2 3.82Å; F780-F855 HydrophobicContact CD1-CE2 3.82Å; F780-F855 AromaticContact CD1-CZ 3.61Å; F780-F855 HydrophobicContact CD1-CZ 3.61Å; F780-F855 HydrophobicContact CE1-CE2 4.43Å; F780-F855 HydrophobicContact CE1-CZ 4.14Å |
| 781 | S | 86.5 | Confident | 79.9 | Confident | 1.33333 Ų | 1.33333 | 60.2 Ų | 60.2 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | -179.4 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | I777 L778 N779 Y785 H829 | I777-S781 PolarHBondContact O-N 3.16Å; I777-S781 VanDerWaalsContact O-N 3.11Å; L778-S781 PolarHBondContact O-N 3.28Å; L778-S781 PolarHBondContact O-OG 3.07Å; N779-S781 PolarHBondContact O-N 3.44Å; S781-Y785 WeakPolarHBondContact O-CB 3.34Å; S781-Y785 PolarHBondContact O-N 3.27Å; S781-Y785 VanDerWaalsContact O-N 3.11Å; S781-H829 WeakPolarHBondContact O-CB 3.3Å; S781-H829 PolarHBondContact OG-CE1 3.08Å; S781-H829 VanDerWaalsContact OG-CE1 3.31Å; S781-H829 PolarHBondContact OG-ND1 3.1Å |
| 782 | K | 87.6 | Confident | 79.4 | Confident | 92.6667 Ų | 92.6667 | 58.6 Ų | 58.6 | 40% | 0.403 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 176.9 | -69 | 167.7 | -176.8 | 173.2 | 0 | 111.9 | L778 N779 F780 Y785 N786 | L778-K782 WeakPolarHBondContact O-CG 3.33Å; L778-K782 PolarHBondContact O-N 3.34Å; N779-K782 PolarHBondContact O-N 3.05Å; F780-K782 VanDerWaalsContact C-N 3.32Å; F780-K782 PolarHBondContact O-N 3.36Å; K782-Y785 PolarHBondContact O-N 3.17Å; K782-N786 WeakPolarHBondContact O-CB 3.37Å; K782-N786 PolarHBondContact O-N 3.25Å; K782-N786 PolarHBondContact O-ND2 3.06Å |
| 783 | H | 85.6 | Confident | 78.2 | Confident | 115.667 Ų | 115.667 | 57 Ų | 57 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 175.4 | -179.6 | -86.5 | 0 | 0 | 0 | 111.6 | E740 N779 F780 Y785 N786 S787 | E740-H783 IonicContact OE2-ND1 2.69Å; N779-H783 VanDerWaalsContact O-CB 3.29Å; N779-H783 WeakPolarHBondContact O-CB 3.43Å; N779-H783 PolarHBondContact O-N 3.27Å; F780-H783 PolarHBondContact O-N 3.08Å; H783-Y785 VanDerWaalsContact C-N 3.32Å; H783-Y785 PolarHBondContact O-N 2.9Å; H783-N786 PolarHBondContact O-N 3.08Å; H783-N786 VanDerWaalsContact O-N 3.17Å; H783-S787 VanDerWaalsContact O-CB 3.28Å; H783-S787 WeakPolarHBondContact O-CB 3.43Å; H783-S787 PolarHBondContact O-N 3.2Å |
| 784 | Y | 83.4 | Confident | 76.4 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.6 | -47.5 | 177.9 | -178.5 | -95.9 | 0 | 0 | 0 | 111.9 | S738 E740 F780 L788 F832 R836 W852 | S738-Y784 WeakPolarHBondContact OG-CE2 3.41Å; S738-Y784 PolarHBondContact OG-OH 3.14Å; S738-Y784 VanDerWaalsContact OG-OH 3.1Å; E740-Y784 HydrophobicContact CB-CD2 4.03Å; E740-Y784 HydrophobicContact CB-CE2 4Å; E740-Y784 WeakPolarHBondContact OE2-CD2 3.4Å; F780-Y784 HydrophobicContact CE1-CD2 4.32Å; F780-Y784 HydrophobicContact CE1-CG 4.44Å; F780-Y784 AromaticContact CZ-CD2 3.99Å; F780-Y784 HydrophobicContact CZ-CD2 4.08Å; F780-Y784 WeakPolarHBondContact O-CB 3.39Å; F780-Y784 PolarHBondContact O-N 2.97Å; Y784-L788 HydrophobicContact CD1-CD1 4.11Å; Y784-L788 HydrophobicContact CD2-CD1 4.3Å; Y784-L788 HydrophobicContact CE1-CD1 3.59Å; Y784-L788 VanDerWaalsContact CE1-CD1 3.41Å; Y784-L788 HydrophobicContact CE2-CD1 4.08Å; Y784-L788 HydrophobicContact CG-CD1 4.4Å; Y784-L788 VanDerWaalsContact CZ-CD1 3.46Å; Y784-L788 PolarHBondContact O-N 3.05Å; Y784-L788 VanDerWaalsContact O-N 3.13Å; Y784-F832 HydrophobicContact CD1-CD1 4.35Å; Y784-F832 AromaticContact CE1-CD1 3.76Å; Y784-F832 HydrophobicContact CE1-CD1 3.76Å; Y784-F832 AromaticContact CE1-CE1 3.9Å; Y784-F832 HydrophobicContact CE1-CE1 4.05Å; Y784-R836 WeakPolarHBondContact OH-CD 3.39Å; Y784-R836 PolarHBondContact OH-NE 3.13Å; Y784-R836 PolarHBondContact OH-NH1 3.07Å; Y784-W852 HydrophobicContact CD1-CH2 4.39Å; Y784-W852 HydrophobicContact CD2-CH2 4.17Å; Y784-W852 AromaticContact CE1-CH2 3.93Å; Y784-W852 HydrophobicContact CE1-CH2 3.93Å; Y784-W852 HydrophobicContact CE1-CZ3 4.38Å; Y784-W852 AromaticContact CE2-CH2 3.67Å; Y784-W852 HydrophobicContact CE2-CH2 3.67Å; Y784-W852 HydrophobicContact CE2-CZ2 4.1Å; Y784-W852 HydrophobicContact CG-CH2 4.44Å; Y784-W852 AromaticContact CZ-CH2 3.58Å |
| 785 | Y | 83.3 | Confident | 74.4 | Confident | 34.3333 Ų | 34.3333 | 60.8 Ų | 60.8 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 174.9 | 174.2 | -105.5 | 0 | 0 | 0 | 112.8 | S781 K782 H783 S787 L788 R789 H829 F832 | S781-Y785 WeakPolarHBondContact O-CB 3.34Å; S781-Y785 PolarHBondContact O-N 3.27Å; S781-Y785 VanDerWaalsContact O-N 3.11Å; K782-Y785 PolarHBondContact O-N 3.17Å; H783-Y785 VanDerWaalsContact C-N 3.32Å; H783-Y785 PolarHBondContact O-N 2.9Å; Y785-S787 VanDerWaalsContact C-N 3.32Å; Y785-S787 PolarHBondContact O-N 3.14Å; Y785-L788 PolarHBondContact O-N 3.24Å; Y785-R789 VanDerWaalsContact O-CB 3.26Å; Y785-R789 WeakPolarHBondContact O-CB 3.31Å; Y785-R789 PolarHBondContact O-N 3.18Å; Y785-R789 PolarHBondContact OH-NH1 3.18Å; Y785-H829 HydrophobicContact CD1-CB 4.4Å; Y785-H829 HydrophobicContact CD2-CB 4.3Å; Y785-H829 HydrophobicContact CG-CB 3.95Å; Y785-F832 HydrophobicContact CD2-CB 4.12Å; Y785-F832 AromaticContact CD2-CD2 3.43Å; Y785-F832 HydrophobicContact CD2-CD2 3.96Å; Y785-F832 VanDerWaalsContact CD2-CD2 3.43Å; Y785-F832 AromaticContact CD2-CE2 3.93Å; Y785-F832 HydrophobicContact CD2-CE2 3.93Å; Y785-F832 HydrophobicContact CD2-CG 4.26Å; Y785-F832 AromaticContact CE2-CD2 3.58Å; Y785-F832 HydrophobicContact CE2-CD2 4.04Å; Y785-F832 AromaticContact CE2-CE2 3.73Å; Y785-F832 HydrophobicContact CE2-CE2 3.73Å |
| 786 | N | 82.7 | Confident | 72.2 | Confident | 96.3333 Ų | 96.3333 | 63.2 Ų | 63.2 | 52% | 0.515 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | -179.8 | -71.7 | -13.5 | 0 | 0 | 0 | 112.3 | K782 H783 R789 S790 | K782-N786 WeakPolarHBondContact O-CB 3.37Å; K782-N786 PolarHBondContact O-N 3.25Å; K782-N786 PolarHBondContact O-ND2 3.06Å; H783-N786 PolarHBondContact O-N 3.08Å; H783-N786 VanDerWaalsContact O-N 3.17Å; N786-R789 PolarHBondContact O-N 2.85Å; N786-S790 VanDerWaalsContact O-CB 3.26Å; N786-S790 WeakPolarHBondContact O-CB 3.34Å; N786-S790 PolarHBondContact O-N 3.14Å |
| 787 | S | 77.8 | Confident | 69.8 | Low | 33.3333 Ų | 33.3333 | 65.9 Ų | 65.9 | 23% | 0.233 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -53.7 | 174.8 | 177.9 | 0 | 0 | 0 | 0 | 111 | E740 H783 Y785 R789 S790 N791 | E740-S787 PolarHBondContact OE1-OG 3.38Å; H783-S787 VanDerWaalsContact O-CB 3.28Å; H783-S787 WeakPolarHBondContact O-CB 3.43Å; H783-S787 PolarHBondContact O-N 3.2Å; Y785-S787 VanDerWaalsContact C-N 3.32Å; Y785-S787 PolarHBondContact O-N 3.14Å; S787-R789 PolarHBondContact O-N 3Å; S787-S790 PolarHBondContact O-N 3.32Å; S787-N791 VanDerWaalsContact O-CG 3.24Å; S787-N791 PolarHBondContact O-N 3.01Å; S787-N791 VanDerWaalsContact O-N 3.12Å; S787-N791 PolarHBondContact O-ND2 3.14Å |
| 788 | L | 72.9 | Confident | 67.2 | Low | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 180 | -74.3 | 163 | 0 | 0 | 0 | 113.2 | S736 Y784 Y785 N791 N792 F832 | S736-L788 WeakPolarHBondContact OG-CD2 3.3Å; Y784-L788 HydrophobicContact CD1-CD1 4.11Å; Y784-L788 HydrophobicContact CD2-CD1 4.3Å; Y784-L788 HydrophobicContact CE1-CD1 3.59Å; Y784-L788 VanDerWaalsContact CE1-CD1 3.41Å; Y784-L788 HydrophobicContact CE2-CD1 4.08Å; Y784-L788 HydrophobicContact CG-CD1 4.4Å; Y784-L788 VanDerWaalsContact CZ-CD1 3.46Å; Y784-L788 PolarHBondContact O-N 3.05Å; Y784-L788 VanDerWaalsContact O-N 3.13Å; Y785-L788 PolarHBondContact O-N 3.24Å; L788-N791 PolarHBondContact O-N 3.26Å; L788-N792 PolarHBondContact O-N 3.19Å; L788-N792 PolarHBondContact O-ND2 2.91Å; L788-N792 PolarHBondContact O-OD1 3.29Å; L788-F832 HydrophobicContact CB-CD1 4.41Å; L788-F832 HydrophobicContact CB-CE1 4.3Å; L788-F832 HydrophobicContact CB-CE2 4.2Å; L788-F832 HydrophobicContact CB-CZ 3.81Å; L788-F832 HydrophobicContact CD1-CD1 4.12Å; L788-F832 HydrophobicContact CD1-CE1 3.74Å; L788-F832 VanDerWaalsContact CD1-CE1 3.45Å; L788-F832 HydrophobicContact CD1-CZ 3.8Å; L788-F832 HydrophobicContact CD2-CZ 4.43Å; L788-F832 HydrophobicContact CG-CE1 4.42Å; L788-F832 HydrophobicContact CG-CZ 4.22Å |
| 789 | R | 73 | Confident | 64.5 | Low | 124.333 Ų | 124.333 | 77.9 Ų | 77.9 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 173.9 | 179.9 | 173.1 | 176.2 | 163.7 | 2.6 | 111.9 | Y785 N786 S787 N791 N792 D793 | Y785-R789 VanDerWaalsContact O-CB 3.26Å; Y785-R789 WeakPolarHBondContact O-CB 3.31Å; Y785-R789 PolarHBondContact O-N 3.18Å; Y785-R789 PolarHBondContact OH-NH1 3.18Å; N786-R789 PolarHBondContact O-N 2.85Å; S787-R789 PolarHBondContact O-N 3Å; R789-N791 VanDerWaalsContact C-N 3.25Å; R789-N791 PolarHBondContact O-N 3.11Å; R789-N792 CarbonylContact O-C 3.45Å; R789-N792 PolarHBondContact O-N 3.17Å; R789-D793 VanDerWaalsContact CG-OD2 3.3Å; R789-D793 WeakPolarHBondContact CG-OD2 3.17Å; R789-D793 IonicContact CZ-OD2 3.18Å; R789-D793 IonicContact NE-OD2 3.22Å; R789-D793 PolarHBondContact NE-OD2 3.18Å; R789-D793 IonicContact NH2-OD2 3.45Å; R789-D793 PolarHBondContact NH2-OD2 3.42Å; R789-D793 WeakPolarHBondContact O-CB 2.96Å; R789-D793 PolarHBondContact O-N 2.95Å |
| 790 | S | 61.2 | Low | 61.7 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.7 | -37.8 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | N786 S787 N792 D793 N794 | N786-S790 VanDerWaalsContact O-CB 3.26Å; N786-S790 WeakPolarHBondContact O-CB 3.34Å; N786-S790 PolarHBondContact O-N 3.14Å; S787-S790 PolarHBondContact O-N 3.32Å; S790-N792 VanDerWaalsContact C-N 3.27Å; S790-N792 PolarHBondContact O-N 3.26Å; S790-D793 PolarHBondContact O-N 3.3Å; S790-N794 VanDerWaalsContact O-CB 3.31Å; S790-N794 WeakPolarHBondContact O-CB 3.4Å; S790-N794 PolarHBondContact O-N 3.15Å; S790-N794 VanDerWaalsContact O-N 3.1Å; S790-N794 PolarHBondContact O-ND2 3.11Å; S790-N794 PolarHBondContact OG-ND2 3.13Å |
| 791 | N | 57.6 | Low | 58.8 | Low | 89.6667 Ų | 89.6667 | 86 Ų | 86 | 48% | 0.48 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.4 | -23.1 | 175.1 | -66.1 | -20 | 0 | 0 | 0 | 113.8 | S787 L788 R789 N795 | S787-N791 VanDerWaalsContact O-CG 3.24Å; S787-N791 PolarHBondContact O-N 3.01Å; S787-N791 VanDerWaalsContact O-N 3.12Å; S787-N791 PolarHBondContact O-ND2 3.14Å; L788-N791 PolarHBondContact O-N 3.26Å; R789-N791 VanDerWaalsContact C-N 3.25Å; R789-N791 PolarHBondContact O-N 3.11Å; N791-N795 PolarHBondContact O-OD1 3.41Å |
| 792 | N | 54.9 | Low | 55.9 | Low | 53 Ų | 53 | 90.2 Ų | 90.2 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -90.7 | -36 | 175.8 | -63.3 | -5.9 | 0 | 0 | 0 | 112 | S736 L788 R789 S790 | S736-N792 PolarHBondContact OG-OD1 2.87Å; L788-N792 PolarHBondContact O-N 3.19Å; L788-N792 PolarHBondContact O-ND2 2.91Å; L788-N792 PolarHBondContact O-OD1 3.29Å; R789-N792 CarbonylContact O-C 3.45Å; R789-N792 PolarHBondContact O-N 3.17Å; S790-N792 VanDerWaalsContact C-N 3.27Å; S790-N792 PolarHBondContact O-N 3.26Å |
| 793 | D | 51.2 | Low | 53.2 | Low | 83.3333 Ų | 83.3333 | 90.5 Ų | 90.5 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.1 | -33.3 | -177.8 | -73.1 | -21.3 | 0 | 0 | 0 | 112.1 | R789 S790 N795 N796 | R789-D793 VanDerWaalsContact CG-OD2 3.3Å; R789-D793 WeakPolarHBondContact CG-OD2 3.17Å; R789-D793 IonicContact CZ-OD2 3.18Å; R789-D793 IonicContact NE-OD2 3.22Å; R789-D793 PolarHBondContact NE-OD2 3.18Å; R789-D793 IonicContact NH2-OD2 3.45Å; R789-D793 PolarHBondContact NH2-OD2 3.42Å; R789-D793 WeakPolarHBondContact O-CB 2.96Å; R789-D793 PolarHBondContact O-N 2.95Å; S790-D793 PolarHBondContact O-N 3.3Å; D793-N795 VanDerWaalsContact C-N 3.33Å; D793-N795 PolarHBondContact O-N 3.12Å; D793-N796 PolarHBondContact O-N 3.33Å; D793-N796 PolarHBondContact O-ND2 3.23Å |
| 794 | N | 41.9 | Very low | 50.6 | Low | 91.6667 Ų | 91.6667 | 90.5 Ų | 90.5 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -75.1 | -15 | -174.1 | -73.1 | -21 | 0 | 0 | 0 | 115.6 | S790 N796 N797 | S790-N794 VanDerWaalsContact O-CB 3.31Å; S790-N794 WeakPolarHBondContact O-CB 3.4Å; S790-N794 PolarHBondContact O-N 3.15Å; S790-N794 VanDerWaalsContact O-N 3.1Å; S790-N794 PolarHBondContact O-ND2 3.11Å; S790-N794 PolarHBondContact OG-ND2 3.13Å; N794-N796 PolarHBondContact O-N 3.01Å; N794-N797 PolarHBondContact O-N 3.34Å; N794-N797 VanDerWaalsContact O-N 3.14Å |
| 795 | N | 40.1 | Very low | 48.2 | Very low | 90.6667 Ų | 90.6667 | 97.4 Ų | 97.4 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -61.5 | -12 | 178.5 | -73.5 | -4.1 | 0 | 0 | 0 | 113.5 | N791 D793 D807 | N791-N795 PolarHBondContact O-OD1 3.41Å; D793-N795 VanDerWaalsContact C-N 3.33Å; D793-N795 PolarHBondContact O-N 3.12Å; N795-D807 VanDerWaalsContact CB-OD2 3.26Å; N795-D807 WeakPolarHBondContact CB-OD2 3.15Å; N795-D807 PolarHBondContact ND2-OD2 3.11Å |
| 796 | N | 40 | Very low | 45.9 | Very low | 132.333 Ų | 132.333 | 100.5 Ų | 100.5 | 71% | 0.708 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -88.5 | -5.4 | 177 | -65.7 | -69.1 | 0 | 0 | 0 | 115 | D793 N794 | D793-N796 PolarHBondContact O-N 3.33Å; D793-N796 PolarHBondContact O-ND2 3.23Å; N794-N796 PolarHBondContact O-N 3.01Å |
| 797 | N | 35.4 | Very low | 43.7 | Very low | 126 Ų | 126 | 99.9 Ų | 99.9 | 67% | 0.674 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -137.7 | 118.5 | -178.1 | -75.5 | -63.7 | 0 | 0 | 0 | 113.6 | N794 S799 | N794-N797 PolarHBondContact O-N 3.34Å; N794-N797 VanDerWaalsContact O-N 3.14Å; N797-S799 PolarHBondContact O-N 2.86Å |
| 798 | H | 32.5 | Very low | 41.7 | Very low | 185 Ų | 185 | 103.9 Ų | 103.9 | 86% | 0.856 | 56% | 0.562 | S | S | * | * | trans | 37.6 | 108.5 | 168.4 | -75.7 | -71.4 | 0 | 0 | 0 | 118.9 | ||||
| 799 | S | 30.5 | Very low | 39.9 | Very low | 99.3333 Ų | 99.3333 | 109.8 Ų | 109.8 | 70% | 0.695 | 58% | 0.584 | S | S | * | * | trans | 79.4 | 121.5 | 141.3 | 55.9 | 0 | 0 | 0 | 0 | 117 | N797 | N797-S799 PolarHBondContact O-N 2.86Š| ||
| 800 | D | 27.9 | Very low | 38.5 | Very low | 146.667 Ų | 146.667 | 106.6 Ų | 106.6 | 78% | 0.784 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 47.2 | 117.1 | 157.1 | -54.2 | -33.2 | 0 | 0 | 0 | 117.1 | ||
| 801 | N | 29.1 | Very low | 37.3 | Very low | 154.75 Ų | 154.75 | 108.7 Ų | 108.7 | 83% | 0.828 | 59% | 0.588 | S | S | * | * | trans | 106.9 | 35.4 | 158.8 | -58.2 | -64.5 | 0 | 0 | 0 | 118 | ||||
| 802 | C | 26.2 | Very low | 36.5 | Very low | 90 Ų | 90 | 109.7 Ų | 109.7 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -120.2 | 147.3 | 154.5 | -112.5 | 0 | 0 | 0 | 0 | 110.7 | V804 | C802-V804 WeakPolarHBondContact O-CG2 3.46Å; C802-V804 PolarHBondContact O-N 3.22Å; C802-V804 VanDerWaalsContact O-N 3.14Å |
| 803 | P | 29.9 | Very low | 35.8 | Very low | 99.5 Ų | 99.5 | 111.7 Ų | 111.7 | 65% | 0.646 | 60% | 0.602 | S | S | * | * | trans | -74.4 | 120.6 | -172.5 | -7.6 | 18.3 | 0 | 0 | 0 | 113.8 | E805 | P803-E805 PolarHBondContact O-N 3.15Å; P803-E805 VanDerWaalsContact O-N 3.09Å | ||
| 804 | V | 31 | Very low | 35.3 | Very low | 114.75 Ų | 114.75 | 116.2 Ų | 116.2 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 27.9 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 114.9 | C802 N808 | C802-V804 WeakPolarHBondContact O-CG2 3.46Å; C802-V804 PolarHBondContact O-N 3.22Å; C802-V804 VanDerWaalsContact O-N 3.14Å; V804-N808 VanDerWaalsContact CG1-ND2 3.31Å; V804-N808 WeakPolarHBondContact CG1-ND2 3.33Å; V804-N808 PolarHBondContact O-ND2 3.09Å |
| 805 | E | 32.5 | Very low | 35 | Very low | 146.5 Ų | 146.5 | 119.9 Ų | 119.9 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.1 | -14.9 | 175.6 | -63.5 | -172.2 | 143.2 | 0 | 0 | 115.2 | P803 D807 Y809 | P803-E805 PolarHBondContact O-N 3.15Å; P803-E805 VanDerWaalsContact O-N 3.09Å; E805-D807 PolarHBondContact O-N 2.98Å; E805-Y809 WeakPolarHBondContact O-CB 3.43Å; E805-Y809 WeakPolarHBondContact O-CD2 3.35Å; E805-Y809 PolarHBondContact O-N 3.31Å; E805-Y809 VanDerWaalsContact O-N 3.14Å |
| 806 | L | 36.6 | Very low | 35.4 | Very low | 100.25 Ų | 100.25 | 117.8 Ų | 117.8 | 53% | 0.525 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -89.4 | -27.3 | -178.1 | -157.5 | 68.7 | 0 | 0 | 0 | 114.5 | N808 Y809 W810 | L806-N808 VanDerWaalsContact C-N 3.35Å; L806-N808 PolarHBondContact O-N 2.92Å; L806-Y809 WeakPolarHBondContact O-CB 3.48Å; L806-Y809 PolarHBondContact O-N 3.15Å; L806-W810 PolarHBondContact O-N 2.62Å; L806-W810 PolarHBondContact O-NE1 3.25Å |
| 807 | D | 35 | Very low | 35.6 | Very low | 84.75 Ų | 84.75 | 113.3 Ų | 113.3 | 45% | 0.453 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81.9 | -23.1 | -173 | -69.1 | -53.8 | 0 | 0 | 0 | 114.7 | R734 N795 E805 Y809 W810 S811 | R734-D807 IonicContact NH2-OD1 3.66Å; N795-D807 VanDerWaalsContact CB-OD2 3.26Å; N795-D807 WeakPolarHBondContact CB-OD2 3.15Å; N795-D807 PolarHBondContact ND2-OD2 3.11Å; E805-D807 PolarHBondContact O-N 2.98Å; D807-Y809 VanDerWaalsContact C-N 3.26Å; D807-Y809 PolarHBondContact O-N 3.09Å; D807-W810 PolarHBondContact O-N 3.19Å; D807-S811 PolarHBondContact O-OG 3.01Å |
| 808 | N | 35.5 | Very low | 36.1 | Very low | 115.75 Ų | 115.75 | 114.8 Ų | 114.8 | 62% | 0.619 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.6 | -21.7 | 174.1 | -78.9 | -46.5 | 0 | 0 | 0 | 112.9 | V804 L806 W810 S811 | V804-N808 VanDerWaalsContact CG1-ND2 3.31Å; V804-N808 WeakPolarHBondContact CG1-ND2 3.33Å; V804-N808 PolarHBondContact O-ND2 3.09Å; L806-N808 VanDerWaalsContact C-N 3.35Å; L806-N808 PolarHBondContact O-N 2.92Å; N808-W810 VanDerWaalsContact C-N 3.33Å; N808-W810 PolarHBondContact O-N 3.43Å; N808-S811 PolarHBondContact O-N 3.13Å; N808-S811 VanDerWaalsContact O-N 3.14Å |
| 809 | Y | 36.8 | Very low | 36.9 | Very low | 126.5 Ų | 126.5 | 108.7 Ų | 108.7 | 50% | 0.496 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -85.2 | -23.1 | -176.3 | -118 | -97.5 | 0 | 0 | 0 | 115.6 | Q658 E805 L806 D807 S811 I812 | Q658-Y809 VanDerWaalsContact CD-CD1 3.44Å; Q658-Y809 HydrophobicContact CG-CD1 4.06Å; Q658-Y809 HydrophobicContact CG-CD2 4.46Å; Q658-Y809 HydrophobicContact CG-CE1 3.41Å; Q658-Y809 VanDerWaalsContact CG-CE1 3.41Å; Q658-Y809 HydrophobicContact CG-CE2 4.02Å; Q658-Y809 HydrophobicContact CG-CG 4.43Å; Q658-Y809 VanDerWaalsContact CG-CZ 3.45Å; Q658-Y809 VanDerWaalsContact NE2-CZ 3.34Å; E805-Y809 WeakPolarHBondContact O-CB 3.43Å; E805-Y809 WeakPolarHBondContact O-CD2 3.35Å; E805-Y809 PolarHBondContact O-N 3.31Å; E805-Y809 VanDerWaalsContact O-N 3.14Å; L806-Y809 WeakPolarHBondContact O-CB 3.48Å; L806-Y809 PolarHBondContact O-N 3.15Å; D807-Y809 VanDerWaalsContact C-N 3.26Å; D807-Y809 PolarHBondContact O-N 3.09Å; Y809-S811 VanDerWaalsContact C-N 3.31Å; Y809-S811 PolarHBondContact O-N 3.26Å; Y809-S811 VanDerWaalsContact O-N 3.15Å; Y809-I812 HydrophobicContact CD1-CD1 4.2Å; Y809-I812 HydrophobicContact CE1-CD1 4.47Å |
| 810 | W | 41.7 | Very low | 38 | Very low | 58.25 Ų | 58.25 | 104.7 Ų | 104.7 | 22% | 0.221 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | 3.1 | 177.4 | -62.7 | 111.1 | 0 | 0 | 0 | 114.2 | A661 C733 R734 L806 D807 N808 I812 L820 | A661-W810 HydrophobicContact CB-CH2 3.59Å; A661-W810 HydrophobicContact CB-CZ3 3.93Å; C733-W810 HydrophobicContact CB-CH2 4.12Å; C733-W810 HydrophobicContact CB-CZ2 4.42Å; R734-W810 HydrophobicContact CG-CH2 4.33Å; R734-W810 HydrophobicContact CG-CZ2 3.79Å; L806-W810 PolarHBondContact O-N 2.62Å; L806-W810 PolarHBondContact O-NE1 3.25Å; D807-W810 PolarHBondContact O-N 3.19Å; N808-W810 VanDerWaalsContact C-N 3.33Å; N808-W810 PolarHBondContact O-N 3.43Å; W810-I812 PolarHBondContact O-N 3.12Å; W810-I812 VanDerWaalsContact O-N 3.12Å; W810-L820 HydrophobicContact CB-CD1 4.45Å; W810-L820 HydrophobicContact CB-CD2 4.48Å; W810-L820 HydrophobicContact CD2-CD2 4.24Å; W810-L820 HydrophobicContact CE3-CD1 4.19Å; W810-L820 HydrophobicContact CE3-CD2 3.43Å; W810-L820 VanDerWaalsContact CE3-CD2 3.45Å; W810-L820 HydrophobicContact CZ3-CD2 3.85Å; W810-L820 WeakPolarHBondContact O-CD1 3.17Å |
| 811 | S | 36.1 | Very low | 39 | Very low | 95 Ų | 95 | 102.9 Ų | 102.9 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 19.5 | -173.3 | -62 | 0 | 0 | 0 | 0 | 113.9 | D807 N808 Y809 | D807-S811 PolarHBondContact O-OG 3.01Å; N808-S811 PolarHBondContact O-N 3.13Å; N808-S811 VanDerWaalsContact O-N 3.14Å; Y809-S811 VanDerWaalsContact C-N 3.31Å; Y809-S811 PolarHBondContact O-N 3.26Å; Y809-S811 VanDerWaalsContact O-N 3.15Å |
| 812 | I | 42.7 | Very low | 40.3 | Very low | 108.75 Ų | 108.75 | 101.3 Ų | 101.3 | 56% | 0.558 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -80.2 | -14.5 | -174.7 | -65.4 | 174.9 | 0 | 0 | 0 | 112.3 | Y809 W810 Q814 N816 | Y809-I812 HydrophobicContact CD1-CD1 4.2Å; Y809-I812 HydrophobicContact CE1-CD1 4.47Å; W810-I812 PolarHBondContact O-N 3.12Å; W810-I812 VanDerWaalsContact O-N 3.12Å; I812-Q814 PolarHBondContact O-N 2.96Å; I812-N816 HydrophobicContact CG2-CB 4.37Å |
| 813 | D | 40 | Very low | 42.1 | Very low | 95.5 Ų | 95.5 | 98.1 Ų | 98.1 | 51% | 0.511 | 51% | 0.511 | S | S | . | . | trans | -89.7 | 109.2 | 177.2 | -83.7 | -28.3 | 0 | 0 | 0 | 112.5 | M815 N816 S817 | D813-M815 VanDerWaalsContact C-N 3.3Å; D813-M815 PolarHBondContact O-N 3Å; D813-N816 HydrophobicContact CB-CB 3.77Å; D813-N816 WeakPolarHBondContact CB-ND2 3.44Å; D813-N816 PolarHBondContact O-N 3.19Å; D813-N816 VanDerWaalsContact O-N 3.1Å; D813-N816 PolarHBondContact OD2-ND2 3.19Å; D813-S817 PolarHBondContact O-N 3.26Å; D813-S817 VanDerWaalsContact O-N 3.16Å | ||
| 814 | Q | 40.1 | Very low | 43.8 | Very low | 178 Ų | 178 | 97.2 Ų | 97.2 | 83% | 0.832 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.2 | -179 | -71 | -176.4 | -16.8 | 0 | 0 | 114 | I812 N816 S817 | I812-Q814 PolarHBondContact O-N 2.96Å; Q814-N816 VanDerWaalsContact C-N 3.34Å; Q814-N816 PolarHBondContact O-N 3.29Å; Q814-S817 WeakPolarHBondContact O-CB 3.34Å; Q814-S817 PolarHBondContact O-N 3.21Å; Q814-S817 PolarHBondContact O-OG 2.89Å |
| 815 | M | 35.9 | Very low | 45.7 | Very low | 170.25 Ų | 170.25 | 96.1 Ų | 96.1 | 84% | 0.839 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -27.5 | 176.8 | -83.3 | -170.4 | 166 | 0 | 0 | 113.8 | D813 L819 | D813-M815 VanDerWaalsContact C-N 3.3Å; D813-M815 PolarHBondContact O-N 3Å; M815-L819 WeakPolarHBondContact O-CD1 3.32Å |
| 816 | N | 47.8 | Very low | 47.6 | Very low | 46.25 Ų | 46.25 | 89.9 Ų | 89.9 | 25% | 0.247 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -21.7 | -178.9 | -75.4 | -38.1 | 0 | 0 | 0 | 112.9 | I812 D813 Q814 Q818 L819 L820 | I812-N816 HydrophobicContact CG2-CB 4.37Å; D813-N816 HydrophobicContact CB-CB 3.77Å; D813-N816 WeakPolarHBondContact CB-ND2 3.44Å; D813-N816 PolarHBondContact O-N 3.19Å; D813-N816 VanDerWaalsContact O-N 3.1Å; D813-N816 PolarHBondContact OD2-ND2 3.19Å; Q814-N816 VanDerWaalsContact C-N 3.34Å; Q814-N816 PolarHBondContact O-N 3.29Å; N816-Q818 PolarHBondContact O-N 3.03Å; N816-L819 CarbonylContact O-C 3.57Å; N816-L819 WeakPolarHBondContact O-CA 3.36Å; N816-L819 WeakPolarHBondContact O-CB 3.38Å; N816-L819 PolarHBondContact O-N 2.98Å; N816-L819 VanDerWaalsContact O-N 3.12Å; N816-L820 HydrophobicContact CB-CD1 3.9Å; N816-L820 WeakPolarHBondContact O-CB 3.24Å; N816-L820 VanDerWaalsContact O-CD1 3.28Å; N816-L820 WeakPolarHBondContact O-CD1 3.28Å; N816-L820 PolarHBondContact O-N 3.2Å |
| 817 | S | 43.4 | Very low | 49.2 | Very low | 38.5 Ų | 38.5 | 91.1 Ų | 91.1 | 27% | 0.269 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -53.8 | -49.6 | -177.4 | 82.1 | 0 | 0 | 0 | 0 | 113.8 | D813 Q814 L819 L820 N821 | D813-S817 PolarHBondContact O-N 3.26Å; D813-S817 VanDerWaalsContact O-N 3.16Å; Q814-S817 WeakPolarHBondContact O-CB 3.34Å; Q814-S817 PolarHBondContact O-N 3.21Å; Q814-S817 PolarHBondContact O-OG 2.89Å; S817-L819 VanDerWaalsContact C-N 3.29Å; S817-L819 PolarHBondContact O-N 3Å; S817-L820 PolarHBondContact O-N 3.07Å; S817-L820 VanDerWaalsContact O-N 3.11Å; S817-N821 WeakPolarHBondContact O-CB 3.39Å; S817-N821 PolarHBondContact O-N 3.26Å; S817-N821 PolarHBondContact O-ND2 3.35Å; S817-N821 PolarHBondContact O-OD1 2.96Å; S817-N821 PolarHBondContact OG-ND2 3.44Å |
| 818 | Q | 47.2 | Very low | 51.3 | Low | 155.75 Ų | 155.75 | 89.3 Ų | 89.3 | 73% | 0.728 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.2 | -30 | -179.7 | -65.1 | -168.8 | 4.9 | 0 | 0 | 113.4 | N816 N822 | N816-Q818 PolarHBondContact O-N 3.03Å; Q818-N822 PolarHBondContact O-ND2 3.27Å |
| 819 | L | 49.9 | Very low | 53.6 | Low | 58 Ų | 58 | 85.4 Ų | 85.4 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.2 | -40.5 | 174.1 | -91.1 | 162.4 | 0 | 0 | 0 | 111.6 | L727 M815 N816 S817 N821 N822 L823 | L727-L819 HydrophobicContact CD1-CD2 4.3Å; L727-L819 HydrophobicContact CD2-CD2 3.59Å; M815-L819 WeakPolarHBondContact O-CD1 3.32Å; N816-L819 CarbonylContact O-C 3.57Å; N816-L819 WeakPolarHBondContact O-CA 3.36Å; N816-L819 WeakPolarHBondContact O-CB 3.38Å; N816-L819 PolarHBondContact O-N 2.98Å; N816-L819 VanDerWaalsContact O-N 3.12Å; S817-L819 VanDerWaalsContact C-N 3.29Å; S817-L819 PolarHBondContact O-N 3Å; L819-N821 VanDerWaalsContact C-N 3.27Å; L819-N821 PolarHBondContact O-N 3.38Å; L819-N822 PolarHBondContact O-N 2.9Å; L819-L823 WeakPolarHBondContact O-CD1 3.32Å |
| 820 | L | 51.6 | Low | 56 | Low | 14.5 Ų | 14.5 | 80.6 Ų | 80.6 | 8% | 0.076 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.3 | -28.5 | 179.2 | -89.1 | 111.5 | 0 | 0 | 0 | 113.8 | R734 W810 N816 S817 N822 L823 L825 | R734-L820 PolarHBondContact NH1-O 2.84Å; W810-L820 HydrophobicContact CB-CD1 4.45Å; W810-L820 HydrophobicContact CB-CD2 4.48Å; W810-L820 HydrophobicContact CD2-CD2 4.24Å; W810-L820 HydrophobicContact CE3-CD1 4.19Å; W810-L820 HydrophobicContact CE3-CD2 3.43Å; W810-L820 VanDerWaalsContact CE3-CD2 3.45Å; W810-L820 HydrophobicContact CZ3-CD2 3.85Å; W810-L820 WeakPolarHBondContact O-CD1 3.17Å; N816-L820 HydrophobicContact CB-CD1 3.9Å; N816-L820 WeakPolarHBondContact O-CB 3.24Å; N816-L820 VanDerWaalsContact O-CD1 3.28Å; N816-L820 WeakPolarHBondContact O-CD1 3.28Å; N816-L820 PolarHBondContact O-N 3.2Å; S817-L820 PolarHBondContact O-N 3.07Å; S817-L820 VanDerWaalsContact O-N 3.11Å; L820-N822 VanDerWaalsContact C-N 3.27Å; L820-N822 PolarHBondContact O-N 3.35Å; L820-L823 VanDerWaalsContact C-CD1 3.49Å; L820-L823 HydrophobicContact CB-CD1 4.44Å; L820-L823 HydrophobicContact CD2-CD1 4.08Å; L820-L823 HydrophobicContact CG-CD1 4.32Å; L820-L823 WeakPolarHBondContact O-CD1 3.25Å; L820-L823 WeakPolarHBondContact O-CG 3.44Å; L820-L823 PolarHBondContact O-N 3.18Å; L820-L823 VanDerWaalsContact O-N 3.09Å; L820-L825 HydrophobicContact CB-CD2 4.32Å; L820-L825 HydrophobicContact CD2-CD2 4.29Å |
| 821 | N | 50.5 | Low | 58 | Low | 108.5 Ų | 108.5 | 78.7 Ų | 78.7 | 58% | 0.58 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.7 | 178.6 | -69.5 | -18.9 | 0 | 0 | 0 | 113.7 | S817 L819 | S817-N821 WeakPolarHBondContact O-CB 3.39Å; S817-N821 PolarHBondContact O-N 3.26Å; S817-N821 PolarHBondContact O-ND2 3.35Å; S817-N821 PolarHBondContact O-OD1 2.96Å; S817-N821 PolarHBondContact OG-ND2 3.44Å; L819-N821 VanDerWaalsContact C-N 3.27Å; L819-N821 PolarHBondContact O-N 3.38Å |
| 822 | N | 55.3 | Low | 60.3 | Low | 121.5 Ų | 121.5 | 74.9 Ų | 74.9 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 22.3 | -178.7 | -67.2 | -68.6 | 0 | 0 | 0 | 113.3 | Q818 L819 L820 | Q818-N822 PolarHBondContact O-ND2 3.27Å; L819-N822 PolarHBondContact O-N 2.9Å; L820-N822 VanDerWaalsContact C-N 3.27Å; L820-N822 PolarHBondContact O-N 3.35Å |
| 823 | L | 64.4 | Low | 62.4 | Low | 23.75 Ų | 23.75 | 69.8 Ų | 69.8 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | trans | -74.1 | 146.9 | 176 | -82.1 | 132.8 | 0 | 0 | 0 | 111.9 | L727 L730 A731 L819 L820 L825 | L727-L823 HydrophobicContact CB-CD2 4.06Å; L727-L823 HydrophobicContact CD2-CD2 3.75Å; L727-L823 HydrophobicContact CG-CD2 4.44Å; L727-L823 WeakPolarHBondContact O-CD2 3.38Å; L730-L823 HydrophobicContact CB-CD1 4.42Å; L730-L823 HydrophobicContact CB-CD2 3.66Å; A731-L823 VanDerWaalsContact CA-CD2 3.47Å; A731-L823 HydrophobicContact CB-CB 4.18Å; A731-L823 HydrophobicContact CB-CD2 4.25Å; L819-L823 WeakPolarHBondContact O-CD1 3.32Å; L820-L823 VanDerWaalsContact C-CD1 3.49Å; L820-L823 HydrophobicContact CB-CD1 4.44Å; L820-L823 HydrophobicContact CD2-CD1 4.08Å; L820-L823 HydrophobicContact CG-CD1 4.32Å; L820-L823 WeakPolarHBondContact O-CD1 3.25Å; L820-L823 WeakPolarHBondContact O-CG 3.44Å; L820-L823 PolarHBondContact O-N 3.18Å; L820-L823 VanDerWaalsContact O-N 3.09Å; L823-L825 VanDerWaalsContact C-N 3.31Å; L823-L825 PolarHBondContact O-N 3.02Å | ||
| 824 | P | 66.2 | Low | 64.8 | Low | 80.75 Ų | 80.75 | 66 Ų | 66 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | trans | -69.9 | 88 | 174.8 | 29.9 | -35.6 | 0 | 0 | 0 | 111 | L727 P728 A731 | L727-P824 HydrophobicContact CB-CG 4.39Å; P728-P824 HydrophobicContact CG-CG 4.41Å; A731-P824 HydrophobicContact CB-CG 3.96Å; A731-P824 VanDerWaalsContact CB-O 3.27Å; A731-P824 WeakPolarHBondContact CB-O 3.31Å | ||
| 825 | L | 70 | Confident | 67 | Low | 90.25 Ų | 90.25 | 59.9 Ų | 59.9 | 47% | 0.473 | 31% | 0.311 | S | S | . | . | trans | -69.9 | 151 | 172.5 | -71.7 | 164.3 | 0 | 0 | 0 | 111 | L735 L820 L823 E827 | L735-L825 HydrophobicContact CD2-CD2 4.03Å; L820-L825 HydrophobicContact CB-CD2 4.32Å; L820-L825 HydrophobicContact CD2-CD2 4.29Å; L823-L825 VanDerWaalsContact C-N 3.31Å; L823-L825 PolarHBondContact O-N 3.02Å; L825-E827 PolarHBondContact O-N 3.1Å | ||
| 826 | P | 72.6 | Confident | 69.3 | Low | 16.5 Ų | 16.5 | 52.8 Ų | 52.8 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | trans | -62.1 | 133.4 | 177.5 | -9.5 | 18 | 0 | 0 | 0 | 111.3 | L735 N828 E831 F832 I835 | L735-P826 HydrophobicContact CD1-CG 4.22Å; L735-P826 HydrophobicContact CD2-CG 4.02Å; P826-N828 VanDerWaalsContact C-N 3.32Å; P826-N828 PolarHBondContact O-N 2.98Å; P826-N828 VanDerWaalsContact O-N 3.11Å; P826-E831 HydrophobicContact CB-CB 3.96Å; P826-F832 HydrophobicContact CB-CB 4.28Å; P826-F832 HydrophobicContact CB-CD2 4.09Å; P826-F832 HydrophobicContact CB-CE2 3.71Å; P826-F832 HydrophobicContact CB-CG 4.35Å; P826-F832 HydrophobicContact CG-CB 3.73Å; P826-F832 HydrophobicContact CG-CD2 3.96Å; P826-F832 HydrophobicContact CG-CE2 3.58Å; P826-F832 HydrophobicContact CG-CG 4.31Å; P826-F832 HydrophobicContact CG-CZ 3.99Å; P826-I835 HydrophobicContact CB-CD1 4.14Å; P826-I835 HydrophobicContact CG-CD1 3.6Å; P826-I835 VanDerWaalsContact CG-CD1 3.5Å | ||
| 827 | E | 70.7 | Confident | 71.4 | Confident | 126.5 Ų | 126.5 | 50.6 Ų | 50.6 | 59% | 0.591 | 26% | 0.264 | S | S | * | . | trans | -75.6 | -23.4 | -170.8 | -71.2 | 164 | -137.7 | 0 | 0 | 112.7 | L825 E831 R1013 | L825-E827 PolarHBondContact O-N 3.1Å; E827-E831 PolarHBondContact N-OE2 3.06Å; E827-R1013 VanDerWaalsContact CD-NH1 3.32Å; E827-R1013 IonicContact OE1-CZ 3.32Å; E827-R1013 VanDerWaalsContact OE1-CZ 3.26Å; E827-R1013 IonicContact OE1-NH1 3.4Å; E827-R1013 PolarHBondContact OE1-NH1 3.09Å; E827-R1013 IonicContact OE1-NH2 3.21Å; E827-R1013 PolarHBondContact OE1-NH2 3.29Å; E827-R1013 IonicContact OE2-CZ 3.21Å; E827-R1013 IonicContact OE2-NH1 3.01Å; E827-R1013 PolarHBondContact OE2-NH1 3.21Å; E827-R1013 IonicContact OE2-NH2 2.89Å | ||
| 828 | N | 79.7 | Confident | 73.5 | Confident | 46.75 Ų | 46.75 | 50.9 Ų | 50.9 | 25% | 0.25 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -152.5 | 169.1 | -171.9 | 57.6 | 67.2 | 0 | 0 | 0 | 112.3 | P826 I830 E831 F832 | P826-N828 VanDerWaalsContact C-N 3.32Å; P826-N828 PolarHBondContact O-N 2.98Å; P826-N828 VanDerWaalsContact O-N 3.11Å; N828-I830 VanDerWaalsContact C-N 3.31Å; N828-I830 PolarHBondContact O-N 3.08Å; N828-I830 WeakPolarHBondContact OD1-CA 3.28Å; N828-I830 VanDerWaalsContact OD1-CB 3.31Å; N828-I830 WeakPolarHBondContact OD1-CB 3.38Å; N828-I830 PolarHBondContact OD1-N 3.28Å; N828-E831 PolarHBondContact ND2-OE1 3.22Å; N828-E831 PolarHBondContact O-N 3Å; N828-E831 WeakPolarHBondContact OD1-CB 3.22Å; N828-E831 VanDerWaalsContact OD1-CG 3.29Å; N828-E831 WeakPolarHBondContact OD1-CG 3.34Å; N828-E831 PolarHBondContact OD1-N 3.09Å; N828-E831 VanDerWaalsContact OD1-N 3.12Å; N828-F832 PolarHBondContact O-N 3.13Å |
| 829 | H | 83 | Confident | 75.4 | Confident | 34.5 Ų | 34.5 | 43.5 Ų | 43.5 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -29.7 | -178 | 58.1 | 86.5 | 0 | 0 | 0 | 114.1 | S781 Y785 F832 A833 | S781-H829 WeakPolarHBondContact O-CB 3.3Å; S781-H829 PolarHBondContact OG-CE1 3.08Å; S781-H829 VanDerWaalsContact OG-CE1 3.31Å; S781-H829 PolarHBondContact OG-ND1 3.1Å; Y785-H829 HydrophobicContact CD1-CB 4.4Å; Y785-H829 HydrophobicContact CD2-CB 4.3Å; Y785-H829 HydrophobicContact CG-CB 3.95Å; H829-F832 PolarHBondContact O-N 3.47Å; H829-A833 WeakPolarHBondContact O-CB 3.34Å; H829-A833 PolarHBondContact O-N 3.14Å; H829-A833 VanDerWaalsContact O-N 3.11Å |
| 830 | I | 86.8 | Confident | 77.1 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -46.4 | 177.8 | -49.5 | -179.9 | 0 | 0 | 0 | 109.7 | N828 F832 A833 F834 L856 L859 L860 T863 | N828-I830 VanDerWaalsContact C-N 3.31Å; N828-I830 PolarHBondContact O-N 3.08Å; N828-I830 WeakPolarHBondContact OD1-CA 3.28Å; N828-I830 VanDerWaalsContact OD1-CB 3.31Å; N828-I830 WeakPolarHBondContact OD1-CB 3.38Å; N828-I830 PolarHBondContact OD1-N 3.28Å; I830-F832 PolarHBondContact O-N 3.29Å; I830-A833 PolarHBondContact O-N 3.27Å; I830-F834 VanDerWaalsContact O-CB 3.27Å; I830-F834 WeakPolarHBondContact O-CB 3.44Å; I830-F834 PolarHBondContact O-N 3.01Å; I830-L856 HydrophobicContact CG2-CD2 4.48Å; I830-L859 HydrophobicContact CB-CD2 4.45Å; I830-L859 HydrophobicContact CG1-CD2 4.05Å; I830-L859 HydrophobicContact CG1-CG 4.3Å; I830-L859 HydrophobicContact CG2-CD2 4.45Å; I830-L860 HydrophobicContact CG2-CD2 3.84Å; I830-L860 HydrophobicContact CG2-CG 4.47Å; I830-T863 HydrophobicContact CD1-CG2 4.2Å |
| 831 | E | 84.7 | Confident | 78.8 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.8 | -74.1 | 172.9 | -166.2 | 0 | 0 | 112.6 | P826 E827 N828 A833 F834 I835 R1013 | P826-E831 HydrophobicContact CB-CB 3.96Å; E827-E831 PolarHBondContact N-OE2 3.06Å; N828-E831 PolarHBondContact ND2-OE1 3.22Å; N828-E831 PolarHBondContact O-N 3Å; N828-E831 WeakPolarHBondContact OD1-CB 3.22Å; N828-E831 VanDerWaalsContact OD1-CG 3.29Å; N828-E831 WeakPolarHBondContact OD1-CG 3.34Å; N828-E831 PolarHBondContact OD1-N 3.09Å; N828-E831 VanDerWaalsContact OD1-N 3.12Å; E831-A833 PolarHBondContact O-N 3.25Å; E831-F834 PolarHBondContact O-N 3.28Å; E831-I835 WeakPolarHBondContact O-CB 3.25Å; E831-I835 WeakPolarHBondContact O-CD1 3.37Å; E831-I835 VanDerWaalsContact O-CG1 3.24Å; E831-I835 WeakPolarHBondContact O-CG1 3.36Å; E831-I835 PolarHBondContact O-N 2.92Å; E831-R1013 WeakPolarHBondContact OE1-CD 3.48Å; E831-R1013 IonicContact OE1-CZ 3.33Å; E831-R1013 IonicContact OE1-NE 2.97Å; E831-R1013 PolarHBondContact OE1-NE 3.34Å; E831-R1013 IonicContact OE1-NH1 2.94Å; E831-R1013 PolarHBondContact OE1-NH1 3.08Å; E831-R1013 IonicContact OE1-NH2 3.34Å; E831-R1013 PolarHBondContact OE1-NH2 3.03Å; E831-R1013 VanDerWaalsContact OE1-NH2 3.15Å; E831-R1013 IonicContact OE2-CZ 3.65Å; E831-R1013 IonicContact OE2-NH1 3.61Å; E831-R1013 IonicContact OE2-NH2 3.39Å; E831-R1013 PolarHBondContact OE2-NH2 3.24Å |
| 832 | F | 83.8 | Confident | 80.5 | Confident | 15.5 Ų | 15.5 | 38.8 Ų | 38.8 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 175.9 | -152.1 | -72.8 | 0 | 0 | 0 | 111.5 | L735 Y784 Y785 L788 P826 N828 H829 I830 F834 I835 R836 | L735-F832 HydrophobicContact CD2-CE1 4.05Å; L735-F832 HydrophobicContact CD2-CE2 4.11Å; L735-F832 HydrophobicContact CD2-CZ 3.94Å; Y784-F832 HydrophobicContact CD1-CD1 4.35Å; Y784-F832 AromaticContact CE1-CD1 3.76Å; Y784-F832 HydrophobicContact CE1-CD1 3.76Å; Y784-F832 AromaticContact CE1-CE1 3.9Å; Y784-F832 HydrophobicContact CE1-CE1 4.05Å; Y785-F832 HydrophobicContact CD2-CB 4.12Å; Y785-F832 AromaticContact CD2-CD2 3.43Å; Y785-F832 HydrophobicContact CD2-CD2 3.96Å; Y785-F832 VanDerWaalsContact CD2-CD2 3.43Å; Y785-F832 AromaticContact CD2-CE2 3.93Å; Y785-F832 HydrophobicContact CD2-CE2 3.93Å; Y785-F832 HydrophobicContact CD2-CG 4.26Å; Y785-F832 AromaticContact CE2-CD2 3.58Å; Y785-F832 HydrophobicContact CE2-CD2 4.04Å; Y785-F832 AromaticContact CE2-CE2 3.73Å; Y785-F832 HydrophobicContact CE2-CE2 3.73Å; L788-F832 HydrophobicContact CB-CD1 4.41Å; L788-F832 HydrophobicContact CB-CE1 4.3Å; L788-F832 HydrophobicContact CB-CE2 4.2Å; L788-F832 HydrophobicContact CB-CZ 3.81Å; L788-F832 HydrophobicContact CD1-CD1 4.12Å; L788-F832 HydrophobicContact CD1-CE1 3.74Å; L788-F832 VanDerWaalsContact CD1-CE1 3.45Å; L788-F832 HydrophobicContact CD1-CZ 3.8Å; L788-F832 HydrophobicContact CD2-CZ 4.43Å; L788-F832 HydrophobicContact CG-CE1 4.42Å; L788-F832 HydrophobicContact CG-CZ 4.22Å; P826-F832 HydrophobicContact CB-CB 4.28Å; P826-F832 HydrophobicContact CB-CD2 4.09Å; P826-F832 HydrophobicContact CB-CE2 3.71Å; P826-F832 HydrophobicContact CB-CG 4.35Å; P826-F832 HydrophobicContact CG-CB 3.73Å; P826-F832 HydrophobicContact CG-CD2 3.96Å; P826-F832 HydrophobicContact CG-CE2 3.58Å; P826-F832 HydrophobicContact CG-CG 4.31Å; P826-F832 HydrophobicContact CG-CZ 3.99Å; N828-F832 PolarHBondContact O-N 3.13Å; H829-F832 PolarHBondContact O-N 3.47Å; I830-F832 PolarHBondContact O-N 3.29Å; F832-F834 VanDerWaalsContact C-N 3.32Å; F832-F834 PolarHBondContact O-N 3.27Å; F832-I835 PolarHBondContact O-N 3.38Å; F832-R836 PolarHBondContact O-N 3.01Å; F832-R836 VanDerWaalsContact O-N 3.1Å |
| 833 | A | 85.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H829 I830 E831 R836 F837 W852 F855 L856 | H829-A833 WeakPolarHBondContact O-CB 3.34Å; H829-A833 PolarHBondContact O-N 3.14Å; H829-A833 VanDerWaalsContact O-N 3.11Å; I830-A833 PolarHBondContact O-N 3.27Å; E831-A833 PolarHBondContact O-N 3.25Å; A833-R836 PolarHBondContact O-N 3.17Å; A833-F837 WeakPolarHBondContact O-CB 3.48Å; A833-F837 PolarHBondContact O-N 3.02Å; A833-F837 VanDerWaalsContact O-N 3.07Å; A833-W852 HydrophobicContact CB-CE3 4.21Å; A833-W852 HydrophobicContact CB-CZ3 3.81Å; A833-F855 HydrophobicContact CB-CE1 4.39Å; A833-L856 HydrophobicContact CB-CD2 3.7Å; A833-L856 HydrophobicContact CB-CG 4.4Å |
| 834 | F | 90.7 | Very high | 82.7 | Confident | 15.25 Ų | 15.25 | 34.3 Ų | 34.3 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 176.6 | -177.7 | -95.9 | 0 | 0 | 0 | 112.9 | I830 E831 F832 R836 F837 Q838 L856 Q1017 C1020 I1021 | I830-F834 VanDerWaalsContact O-CB 3.27Å; I830-F834 WeakPolarHBondContact O-CB 3.44Å; I830-F834 PolarHBondContact O-N 3.01Å; E831-F834 PolarHBondContact O-N 3.28Å; F832-F834 VanDerWaalsContact C-N 3.32Å; F832-F834 PolarHBondContact O-N 3.27Å; F834-R836 VanDerWaalsContact C-N 3.3Å; F834-R836 PolarHBondContact O-N 3.15Å; F834-F837 AromaticContact CD2-CD1 3.66Å; F834-F837 HydrophobicContact CD2-CD1 3.66Å; F834-F837 HydrophobicContact CD2-CE1 4.13Å; F834-F837 AromaticContact CE2-CD1 3.61Å; F834-F837 HydrophobicContact CE2-CD1 3.61Å; F834-F837 AromaticContact CE2-CE1 3.62Å; F834-F837 HydrophobicContact CE2-CE1 3.62Å; F834-F837 HydrophobicContact CG-CD1 4.43Å; F834-F837 HydrophobicContact CZ-CD1 4.36Å; F834-F837 HydrophobicContact CZ-CE1 4.31Å; F834-F837 WeakPolarHBondContact O-CB 3.36Å; F834-F837 PolarHBondContact O-N 3.18Å; F834-Q838 HydrophobicContact CE1-CB 4.26Å; F834-Q838 HydrophobicContact CE1-CG 4.33Å; F834-Q838 HydrophobicContact CZ-CB 4.49Å; F834-Q838 HydrophobicContact CZ-CG 4.47Å; F834-Q838 WeakPolarHBondContact O-CB 3.43Å; F834-Q838 PolarHBondContact O-N 3.04Å; F834-L856 HydrophobicContact CB-CD1 4.4Å; F834-L856 HydrophobicContact CB-CD2 4.4Å; F834-L856 HydrophobicContact CD2-CD1 4.29Å; F834-Q1017 HydrophobicContact CB-CG 4.39Å; F834-Q1017 HydrophobicContact CD1-CG 3.91Å; F834-Q1017 HydrophobicContact CD2-CB 3.91Å; F834-Q1017 HydrophobicContact CD2-CG 3.64Å; F834-Q1017 HydrophobicContact CE1-CG 4.03Å; F834-Q1017 VanDerWaalsContact CE2-CA 3.47Å; F834-Q1017 HydrophobicContact CE2-CB 3.82Å; F834-Q1017 HydrophobicContact CE2-CG 3.78Å; F834-Q1017 HydrophobicContact CG-CB 4.44Å; F834-Q1017 HydrophobicContact CG-CG 3.7Å; F834-Q1017 HydrophobicContact CZ-CB 4.31Å; F834-Q1017 HydrophobicContact CZ-CG 3.97Å; F834-C1020 HydrophobicContact CE2-CB 3.95Å; F834-C1020 HydrophobicContact CZ-CB 3.79Å; F834-I1021 HydrophobicContact CD2-CD1 4.35Å; F834-I1021 HydrophobicContact CE2-CD1 4.46Å; F834-I1021 HydrophobicContact CE2-CG1 4.37Å |
| 835 | I | 85.8 | Confident | 83.6 | Confident | 49 Ų | 49 | 33.1 Ų | 33.1 | 25% | 0.251 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 176.6 | -74 | 163.3 | 0 | 0 | 0 | 110.6 | L615 L735 W737 P826 E831 F832 Q838 A839 | L615-I835 HydrophobicContact CD1-CG2 3.72Å; L615-I835 HydrophobicContact CD2-CG2 3.85Å; L615-I835 HydrophobicContact CG-CG2 4.46Å; L735-I835 HydrophobicContact CD1-CD1 4.29Å; L735-I835 HydrophobicContact CD1-CG2 3.79Å; W737-I835 HydrophobicContact CH2-CG2 3.84Å; W737-I835 HydrophobicContact CZ3-CG2 4.34Å; P826-I835 HydrophobicContact CB-CD1 4.14Å; P826-I835 HydrophobicContact CG-CD1 3.6Å; P826-I835 VanDerWaalsContact CG-CD1 3.5Å; E831-I835 WeakPolarHBondContact O-CB 3.25Å; E831-I835 WeakPolarHBondContact O-CD1 3.37Å; E831-I835 VanDerWaalsContact O-CG1 3.24Å; E831-I835 WeakPolarHBondContact O-CG1 3.36Å; E831-I835 PolarHBondContact O-N 2.92Å; F832-I835 PolarHBondContact O-N 3.38Å; I835-Q838 PolarHBondContact O-N 3.05Å; I835-A839 VanDerWaalsContact O-CB 3.29Å; I835-A839 WeakPolarHBondContact O-CB 3.41Å; I835-A839 PolarHBondContact O-N 3.32Å |
| 836 | R | 85.8 | Confident | 84.3 | Confident | 21.75 Ų | 21.75 | 32.3 Ų | 32.3 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 173.4 | 178.8 | 170.1 | -158.1 | 138.7 | -9.4 | 112.6 | W737 S738 E740 Y784 F832 A833 F834 Q838 A839 L840 W852 | W737-R836 HydrophobicContact CE3-CB 4.14Å; W737-R836 HydrophobicContact CE3-CG 4.41Å; W737-R836 VanDerWaalsContact CE3-NH1 3.27Å; W737-R836 HydrophobicContact CH2-CB 4.11Å; W737-R836 HydrophobicContact CH2-CG 4.29Å; W737-R836 HydrophobicContact CZ3-CB 3.6Å; W737-R836 HydrophobicContact CZ3-CG 4Å; S738-R836 VanDerWaalsContact O-CZ 3.24Å; S738-R836 PolarHBondContact O-NH1 3.25Å; S738-R836 PolarHBondContact O-NH2 3.13Å; S738-R836 PolarHBondContact OG-NH1 2.89Å; E740-R836 PolarHBondContact O-NH2 3.36Å; Y784-R836 WeakPolarHBondContact OH-CD 3.39Å; Y784-R836 PolarHBondContact OH-NE 3.13Å; Y784-R836 PolarHBondContact OH-NH1 3.07Å; F832-R836 PolarHBondContact O-N 3.01Å; F832-R836 VanDerWaalsContact O-N 3.1Å; A833-R836 PolarHBondContact O-N 3.17Å; F834-R836 VanDerWaalsContact C-N 3.3Å; F834-R836 PolarHBondContact O-N 3.15Å; R836-Q838 VanDerWaalsContact C-N 3.3Å; R836-Q838 PolarHBondContact O-N 3.41Å; R836-A839 WeakPolarHBondContact O-CB 3.48Å; R836-A839 PolarHBondContact O-N 3.2Å; R836-L840 HydrophobicContact CG-CD1 4.03Å; R836-L840 HydrophobicContact CG-CG 4.49Å; R836-L840 WeakPolarHBondContact O-CB 3.47Å; R836-L840 VanDerWaalsContact O-CG 3.28Å; R836-L840 WeakPolarHBondContact O-CG 3.3Å; R836-L840 PolarHBondContact O-N 3.12Å; R836-W852 HydrophobicContact CG-CD2 4.39Å |
| 837 | F | 90.6 | Very high | 84.9 | Confident | 0.75 Ų | 0.75 | 36.6 Ų | 36.6 | 0% | 0.003 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.8 | -48.9 | 173.4 | 155.1 | -107.8 | 0 | 0 | 0 | 111.8 | A833 F834 A839 L840 N841 A849 W852 A853 L856 C1020 I1021 C1024 | A833-F837 WeakPolarHBondContact O-CB 3.48Å; A833-F837 PolarHBondContact O-N 3.02Å; A833-F837 VanDerWaalsContact O-N 3.07Å; F834-F837 AromaticContact CD2-CD1 3.66Å; F834-F837 HydrophobicContact CD2-CD1 3.66Å; F834-F837 HydrophobicContact CD2-CE1 4.13Å; F834-F837 AromaticContact CE2-CD1 3.61Å; F834-F837 HydrophobicContact CE2-CD1 3.61Å; F834-F837 AromaticContact CE2-CE1 3.62Å; F834-F837 HydrophobicContact CE2-CE1 3.62Å; F834-F837 HydrophobicContact CG-CD1 4.43Å; F834-F837 HydrophobicContact CZ-CD1 4.36Å; F834-F837 HydrophobicContact CZ-CE1 4.31Å; F834-F837 WeakPolarHBondContact O-CB 3.36Å; F834-F837 PolarHBondContact O-N 3.18Å; F837-A839 VanDerWaalsContact C-N 3.33Å; F837-A839 PolarHBondContact O-N 3.09Å; F837-L840 PolarHBondContact O-N 2.91Å; F837-N841 HydrophobicContact CE2-CB 4.27Å; F837-N841 VanDerWaalsContact O-CB 3.29Å; F837-N841 WeakPolarHBondContact O-CB 3.4Å; F837-N841 PolarHBondContact O-N 3.03Å; F837-A849 HydrophobicContact CD2-CB 4.42Å; F837-A849 WeakPolarHBondContact CD2-O 3.43Å; F837-A849 HydrophobicContact CE2-CB 4.49Å; F837-W852 HydrophobicContact CB-CB 4.03Å; F837-W852 HydrophobicContact CD2-CB 4.47Å; F837-A853 HydrophobicContact CD2-CB 4.07Å; F837-A853 HydrophobicContact CE2-CB 3.71Å; F837-A853 HydrophobicContact CZ-CB 4.45Å; F837-L856 HydrophobicContact CB-CD1 3.39Å; F837-L856 VanDerWaalsContact CB-CD1 3.41Å; F837-L856 HydrophobicContact CD1-CD1 3.97Å; F837-L856 HydrophobicContact CG-CD1 3.72Å; F837-C1020 HydrophobicContact CE1-CB 4.13Å; F837-I1021 HydrophobicContact CD1-CG1 4.37Å; F837-I1021 HydrophobicContact CE1-CG1 3.93Å; F837-I1021 HydrophobicContact CZ-CG1 4.22Å; F837-C1024 HydrophobicContact CE2-CB 3.64Å; F837-C1024 HydrophobicContact CZ-CB 3.65Å |
| 838 | Q | 89.1 | Confident | 85.7 | Confident | 43.75 Ų | 43.75 | 35 Ų | 35 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | -177.2 | -161.3 | 178.7 | 24 | 0 | 0 | 111.4 | L612 F834 I835 R836 L840 N841 T842 | L612-Q838 HydrophobicContact CD2-CB 4.27Å; L612-Q838 HydrophobicContact CD2-CG 3.72Å; F834-Q838 HydrophobicContact CE1-CB 4.26Å; F834-Q838 HydrophobicContact CE1-CG 4.33Å; F834-Q838 HydrophobicContact CZ-CB 4.49Å; F834-Q838 HydrophobicContact CZ-CG 4.47Å; F834-Q838 WeakPolarHBondContact O-CB 3.43Å; F834-Q838 PolarHBondContact O-N 3.04Å; I835-Q838 PolarHBondContact O-N 3.05Å; R836-Q838 VanDerWaalsContact C-N 3.3Å; R836-Q838 PolarHBondContact O-N 3.41Å; Q838-L840 PolarHBondContact O-N 3.31Å; Q838-N841 PolarHBondContact O-N 2.89Å; Q838-T842 HydrophobicContact CG-CG2 4.41Å; Q838-T842 VanDerWaalsContact O-CB 3.32Å; Q838-T842 WeakPolarHBondContact O-CB 3.29Å; Q838-T842 VanDerWaalsContact O-CG2 3.31Å; Q838-T842 WeakPolarHBondContact O-CG2 3.44Å; Q838-T842 PolarHBondContact O-N 3.26Å; Q838-T842 PolarHBondContact O-OG1 3.39Å; Q838-T842 VanDerWaalsContact O-OG1 3.06Å |
| 839 | A | 85.3 | Confident | 86.2 | Confident | 1.25 Ų | 1.25 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -50.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L615 W737 I835 R836 F837 N841 T842 H843 | L615-A839 HydrophobicContact CB-CB 3.74Å; L615-A839 HydrophobicContact CD1-CB 4.49Å; L615-A839 WeakPolarHBondContact O-CB 3.38Å; W737-A839 HydrophobicContact CH2-CB 3.84Å; W737-A839 HydrophobicContact CZ2-CB 3.72Å; I835-A839 VanDerWaalsContact O-CB 3.29Å; I835-A839 WeakPolarHBondContact O-CB 3.41Å; I835-A839 PolarHBondContact O-N 3.32Å; R836-A839 WeakPolarHBondContact O-CB 3.48Å; R836-A839 PolarHBondContact O-N 3.2Å; F837-A839 VanDerWaalsContact C-N 3.33Å; F837-A839 PolarHBondContact O-N 3.09Å; A839-N841 VanDerWaalsContact C-N 3.31Å; A839-N841 PolarHBondContact O-N 3.06Å; A839-T842 PolarHBondContact O-N 3.13Å; A839-T842 VanDerWaalsContact O-N 3.09Å; A839-T842 PolarHBondContact O-OG1 3.27Å; A839-H843 PolarHBondContact O-CD2 3.25Å; A839-H843 VanDerWaalsContact O-CD2 3.25Å; A839-H843 PolarHBondContact O-N 3.01Å |
| 840 | L | 86.8 | Confident | 86.5 | Confident | 12.5 Ų | 12.5 | 31.6 Ų | 31.6 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.7 | -69.3 | 166.7 | 0 | 0 | 0 | 111.6 | P617 W737 R836 F837 Q838 T842 H843 G844 Y845 Q848 A849 W852 | P617-L840 HydrophobicContact CG-CD2 4.18Å; W737-L840 HydrophobicContact CH2-CD2 4.25Å; W737-L840 HydrophobicContact CH2-CG 4.12Å; W737-L840 HydrophobicContact CZ3-CD2 3.98Å; W737-L840 HydrophobicContact CZ3-CG 4.06Å; R836-L840 HydrophobicContact CG-CD1 4.03Å; R836-L840 HydrophobicContact CG-CG 4.49Å; R836-L840 WeakPolarHBondContact O-CB 3.47Å; R836-L840 VanDerWaalsContact O-CG 3.28Å; R836-L840 WeakPolarHBondContact O-CG 3.3Å; R836-L840 PolarHBondContact O-N 3.12Å; F837-L840 PolarHBondContact O-N 2.91Å; Q838-L840 PolarHBondContact O-N 3.31Å; L840-T842 VanDerWaalsContact C-N 3.3Å; L840-T842 PolarHBondContact O-N 3.11Å; L840-H843 PolarHBondContact O-N 2.91Å; L840-H843 VanDerWaalsContact O-N 3.13Å; L840-G844 PolarHBondContact O-N 3.33Å; L840-Y845 HydrophobicContact CD2-CD2 4.1Å; L840-Y845 HydrophobicContact CD2-CG 4.01Å; L840-Y845 WeakPolarHBondContact O-CB 3.45Å; L840-Y845 PolarHBondContact O-N 2.97Å; L840-Q848 HydrophobicContact CD1-CB 3.98Å; L840-Q848 HydrophobicContact CD2-CB 4.13Å; L840-A849 HydrophobicContact CB-CB 4.04Å; L840-W852 VanDerWaalsContact CD1-CD1 3.43Å; L840-W852 HydrophobicContact CD1-CG 4.33Å |
| 841 | N | 88 | Confident | 86.7 | Confident | 41.25 Ų | 41.25 | 32.1 Ų | 32.1 | 22% | 0.221 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.9 | -34.5 | 180 | -172.7 | 43.4 | 0 | 0 | 0 | 112.8 | F837 Q838 A839 H843 G844 A849 C1024 | F837-N841 HydrophobicContact CE2-CB 4.27Å; F837-N841 VanDerWaalsContact O-CB 3.29Å; F837-N841 WeakPolarHBondContact O-CB 3.4Å; F837-N841 PolarHBondContact O-N 3.03Å; Q838-N841 PolarHBondContact O-N 2.89Å; A839-N841 VanDerWaalsContact C-N 3.31Å; A839-N841 PolarHBondContact O-N 3.06Å; N841-H843 PolarHBondContact O-N 3.14Å; N841-H843 VanDerWaalsContact O-N 3.14Å; N841-G844 PolarHBondContact O-N 3.45Å; N841-A849 HydrophobicContact CB-CB 3.84Å; N841-C1024 PolarHBondContact OD1-SG 3.49Å |
| 842 | T | 85.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 17% | 0.172 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78.8 | -22 | 179.6 | -1 | 0 | 0 | 0 | 0 | 113.6 | M546 K547 L612 Q838 A839 L840 | M546-T842 CarbonylContact C-O 3.42Å; M546-T842 HydrophobicContact CB-CG2 4.38Å; M546-T842 HydrophobicContact CE-CG2 3.91Å; K547-T842 WeakPolarHBondContact CA-O 3.34Å; K547-T842 WeakPolarHBondContact CB-O 3.31Å; K547-T842 PolarHBondContact N-O 2.85Å; K547-T842 VanDerWaalsContact N-O 3.13Å; L612-T842 HydrophobicContact CB-CG2 4.1Å; L612-T842 HydrophobicContact CD1-CG2 4.11Å; L612-T842 HydrophobicContact CD2-CG2 3.76Å; L612-T842 HydrophobicContact CG-CG2 4.31Å; Q838-T842 HydrophobicContact CG-CG2 4.41Å; Q838-T842 VanDerWaalsContact O-CB 3.32Å; Q838-T842 WeakPolarHBondContact O-CB 3.29Å; Q838-T842 VanDerWaalsContact O-CG2 3.31Å; Q838-T842 WeakPolarHBondContact O-CG2 3.44Å; Q838-T842 PolarHBondContact O-N 3.26Å; Q838-T842 PolarHBondContact O-OG1 3.39Å; Q838-T842 VanDerWaalsContact O-OG1 3.06Å; A839-T842 PolarHBondContact O-N 3.13Å; A839-T842 VanDerWaalsContact O-N 3.09Å; A839-T842 PolarHBondContact O-OG1 3.27Å; L840-T842 VanDerWaalsContact C-N 3.3Å; L840-T842 PolarHBondContact O-N 3.11Å |
| 843 | H | 83.1 | Confident | 87.5 | Confident | 18.5 Ų | 18.5 | 30.8 Ų | 30.8 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 20.7 | -179.8 | -69.6 | -72 | 0 | 0 | 0 | 114.2 | Q549 L612 N616 A839 L840 N841 Y845 | Q549-H843 WeakPolarHBondContact CG-O 3.39Å; Q549-H843 PolarHBondContact NE2-O 3.14Å; L612-H843 PolarHBondContact O-NE2 3.09Å; N616-H843 VanDerWaalsContact CA-CD2 3.49Å; N616-H843 WeakPolarHBondContact CA-CD2 3.19Å; N616-H843 WeakPolarHBondContact CA-NE2 3.29Å; N616-H843 PolarHBondContact N-NE2 3.31Å; A839-H843 PolarHBondContact O-CD2 3.25Å; A839-H843 VanDerWaalsContact O-CD2 3.25Å; A839-H843 PolarHBondContact O-N 3.01Å; L840-H843 PolarHBondContact O-N 2.91Å; L840-H843 VanDerWaalsContact O-N 3.13Å; N841-H843 PolarHBondContact O-N 3.14Å; N841-H843 VanDerWaalsContact O-N 3.14Å; H843-Y845 HydrophobicContact CB-CD2 4.01Å; H843-Y845 HydrophobicContact CB-CE2 4.04Å; H843-Y845 VanDerWaalsContact O-CD2 3.32Å; H843-Y845 WeakPolarHBondContact O-CD2 3.37Å; H843-Y845 WeakPolarHBondContact O-CE2 3.38Å; H843-Y845 PolarHBondContact O-N 3.1Å |
| 844 | G | 82.3 | Confident | 87.9 | Confident | 32.75 Ų | 32.75 | 31.4 Ų | 31.4 | 34% | 0.338 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 1.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K547 L840 N841 T846 | K547-G844 VanDerWaalsContact O-CA 3.27Å; K547-G844 WeakPolarHBondContact O-CA 3.38Å; L840-G844 PolarHBondContact O-N 3.33Å; N841-G844 PolarHBondContact O-N 3.45Å; G844-T846 PolarHBondContact O-N 3.06Å |
| 845 | Y | 85 | Confident | 88 | Confident | 55.25 Ų | 55.25 | 30.8 Ų | 30.8 | 22% | 0.217 | 16% | 0.159 | C | C | . | . | trans | -77.3 | 64.8 | 176.8 | -63.9 | -85.3 | 0 | 0 | 0 | 111.1 | Q549 P617 E618 L840 H843 E847 Q848 A849 | Q549-Y845 PolarHBondContact NE2-OH 2.95Å; P617-Y845 HydrophobicContact CB-CE2 4.14Å; P617-Y845 HydrophobicContact CG-CD2 4.04Å; P617-Y845 HydrophobicContact CG-CE2 3.59Å; E618-Y845 VanDerWaalsContact CG-OH 3.3Å; E618-Y845 WeakPolarHBondContact CG-OH 3.43Å; L840-Y845 HydrophobicContact CD2-CD2 4.1Å; L840-Y845 HydrophobicContact CD2-CG 4.01Å; L840-Y845 WeakPolarHBondContact O-CB 3.45Å; L840-Y845 PolarHBondContact O-N 2.97Å; H843-Y845 HydrophobicContact CB-CD2 4.01Å; H843-Y845 HydrophobicContact CB-CE2 4.04Å; H843-Y845 VanDerWaalsContact O-CD2 3.32Å; H843-Y845 WeakPolarHBondContact O-CD2 3.37Å; H843-Y845 WeakPolarHBondContact O-CE2 3.38Å; H843-Y845 PolarHBondContact O-N 3.1Å; Y845-E847 PolarHBondContact O-N 2.97Å; Y845-Q848 PolarHBondContact O-N 3.03Å; Y845-A849 VanDerWaalsContact O-CB 3.24Å; Y845-A849 WeakPolarHBondContact O-CB 3.23Å; Y845-A849 PolarHBondContact O-N 2.98Å | ||
| 846 | T | 85.3 | Confident | 88.3 | Confident | 73.25 Ų | 73.25 | 28.5 Ų | 28.5 | 45% | 0.449 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.2 | -46.3 | -169.9 | 52.2 | 0 | 0 | 0 | 0 | 113 | G844 A849 L850 | G844-T846 PolarHBondContact O-N 3.06Å; T846-A849 PolarHBondContact O-N 3.34Å; T846-L850 VanDerWaalsContact O-CB 3.31Å; T846-L850 WeakPolarHBondContact O-CB 3.37Å; T846-L850 PolarHBondContact O-N 3.02Å |
| 847 | E | 85.6 | Confident | 88.7 | Confident | 108 Ų | 108 | 27.4 Ų | 27.4 | 51% | 0.505 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.8 | -50 | -179.6 | -63.2 | -50.3 | 117.1 | 0 | 0 | 111.5 | Y845 A849 L850 H851 | Y845-E847 PolarHBondContact O-N 2.97Å; E847-A849 VanDerWaalsContact C-N 3.31Å; E847-A849 PolarHBondContact O-N 3.15Å; E847-L850 WeakPolarHBondContact O-CB 3.43Å; E847-L850 PolarHBondContact O-N 2.95Å; E847-L850 VanDerWaalsContact O-N 3.15Å; E847-H851 PolarHBondContact O-CD2 2.75Å; E847-H851 PolarHBondContact O-N 3.22Å; E847-H851 VanDerWaalsContact O-N 3.12Å; E847-H851 PolarHBondContact O-ND1 2.88Å |
| 848 | Q | 87.2 | Confident | 88.7 | Confident | 91.5 Ų | 91.5 | 27.4 Ų | 27.4 | 43% | 0.428 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 179.1 | -62.3 | 80.9 | 1 | 0 | 0 | 110.8 | L840 Y845 L850 H851 W852 | L840-Q848 HydrophobicContact CD1-CB 3.98Å; L840-Q848 HydrophobicContact CD2-CB 4.13Å; Y845-Q848 PolarHBondContact O-N 3.03Å; Q848-L850 VanDerWaalsContact C-N 3.33Å; Q848-L850 PolarHBondContact O-N 3.07Å; Q848-H851 PolarHBondContact O-N 3.2Å; Q848-W852 VanDerWaalsContact O-CD1 3.28Å; Q848-W852 PolarHBondContact O-N 3.18Å; Q848-W852 VanDerWaalsContact O-N 3.1Å |
| 849 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F837 L840 N841 Y845 T846 E847 W852 A853 | F837-A849 HydrophobicContact CD2-CB 4.42Å; F837-A849 WeakPolarHBondContact CD2-O 3.43Å; F837-A849 HydrophobicContact CE2-CB 4.49Å; L840-A849 HydrophobicContact CB-CB 4.04Å; N841-A849 HydrophobicContact CB-CB 3.84Å; Y845-A849 VanDerWaalsContact O-CB 3.24Å; Y845-A849 WeakPolarHBondContact O-CB 3.23Å; Y845-A849 PolarHBondContact O-N 2.98Å; T846-A849 PolarHBondContact O-N 3.34Å; E847-A849 VanDerWaalsContact C-N 3.31Å; E847-A849 PolarHBondContact O-N 3.15Å; A849-W852 CarbonylContact O-C 3.5Å; A849-W852 PolarHBondContact O-N 2.99Å; A849-A853 VanDerWaalsContact O-CB 3.3Å; A849-A853 WeakPolarHBondContact O-CB 3.26Å; A849-A853 PolarHBondContact O-N 2.97Å |
| 850 | L | 91.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 179 | -173.2 | 62.5 | 0 | 0 | 0 | 112 | T846 E847 Q848 W852 A853 R854 L1025 A1028 | T846-L850 VanDerWaalsContact O-CB 3.31Å; T846-L850 WeakPolarHBondContact O-CB 3.37Å; T846-L850 PolarHBondContact O-N 3.02Å; E847-L850 WeakPolarHBondContact O-CB 3.43Å; E847-L850 PolarHBondContact O-N 2.95Å; E847-L850 VanDerWaalsContact O-N 3.15Å; Q848-L850 VanDerWaalsContact C-N 3.33Å; Q848-L850 PolarHBondContact O-N 3.07Å; L850-W852 PolarHBondContact O-N 3.47Å; L850-A853 WeakPolarHBondContact O-CB 3.29Å; L850-A853 PolarHBondContact O-N 3.26Å; L850-R854 WeakPolarHBondContact O-CG 3.35Å; L850-R854 PolarHBondContact O-N 3.12Å; L850-L1025 HydrophobicContact CD1-CD2 3.87Å; L850-A1028 HydrophobicContact CD1-CB 4.02Å; L850-A1028 HydrophobicContact CD2-CB 4Å |
| 851 | H | 90.5 | Very high | 89.4 | Confident | 33.75 Ų | 33.75 | 24.8 Ų | 24.8 | 16% | 0.156 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.1 | -67.8 | 82.6 | 0 | 0 | 0 | 112.3 | Y745 E847 Q848 A853 R854 F855 | Y745-H851 HydrophobicContact CD2-CB 4.05Å; Y745-H851 AromaticContact CD2-CD2 3.56Å; Y745-H851 VanDerWaalsContact CD2-CD2 3.44Å; Y745-H851 WeakPolarHBondContact CD2-CD2 3.44Å; Y745-H851 AromaticContact CD2-CG 3.6Å; Y745-H851 AromaticContact CD2-ND1 3.98Å; Y745-H851 AromaticContact CD2-NE2 3.83Å; E847-H851 PolarHBondContact O-CD2 2.75Å; E847-H851 PolarHBondContact O-N 3.22Å; E847-H851 VanDerWaalsContact O-N 3.12Å; E847-H851 PolarHBondContact O-ND1 2.88Å; Q848-H851 PolarHBondContact O-N 3.2Å; H851-A853 VanDerWaalsContact C-N 3.34Å; H851-R854 PolarHBondContact O-N 3.2Å; H851-F855 PolarHBondContact O-N 3.14Å; H851-F855 VanDerWaalsContact O-N 3.14Å |
| 852 | W | 91.6 | Very high | 89.4 | Confident | 7.75 Ų | 7.75 | 24.4 Ų | 24.4 | 3% | 0.029 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.6 | -33.8 | 173.1 | -81.4 | 95.7 | 0 | 0 | 0 | 112.5 | P742 F780 Y784 A833 R836 F837 L840 Q848 A849 L850 F855 L856 | P742-W852 HydrophobicContact CG-CD2 4.19Å; P742-W852 HydrophobicContact CG-CG 4.37Å; F780-W852 HydrophobicContact CE1-CH2 4.39Å; Y784-W852 HydrophobicContact CD1-CH2 4.39Å; Y784-W852 HydrophobicContact CD2-CH2 4.17Å; Y784-W852 AromaticContact CE1-CH2 3.93Å; Y784-W852 HydrophobicContact CE1-CH2 3.93Å; Y784-W852 HydrophobicContact CE1-CZ3 4.38Å; Y784-W852 AromaticContact CE2-CH2 3.67Å; Y784-W852 HydrophobicContact CE2-CH2 3.67Å; Y784-W852 HydrophobicContact CE2-CZ2 4.1Å; Y784-W852 HydrophobicContact CG-CH2 4.44Å; Y784-W852 AromaticContact CZ-CH2 3.58Å; A833-W852 HydrophobicContact CB-CE3 4.21Å; A833-W852 HydrophobicContact CB-CZ3 3.81Å; R836-W852 HydrophobicContact CG-CD2 4.39Å; F837-W852 HydrophobicContact CB-CB 4.03Å; F837-W852 HydrophobicContact CD2-CB 4.47Å; L840-W852 VanDerWaalsContact CD1-CD1 3.43Å; L840-W852 HydrophobicContact CD1-CG 4.33Å; Q848-W852 VanDerWaalsContact O-CD1 3.28Å; Q848-W852 PolarHBondContact O-N 3.18Å; Q848-W852 VanDerWaalsContact O-N 3.1Å; A849-W852 CarbonylContact O-C 3.5Å; A849-W852 PolarHBondContact O-N 2.99Å; L850-W852 PolarHBondContact O-N 3.47Å; W852-F855 AromaticContact CE3-CD1 3.99Å; W852-F855 HydrophobicContact CE3-CD1 4Å; W852-F855 AromaticContact CZ3-CD1 3.96Å; W852-F855 HydrophobicContact CZ3-CD1 4Å; W852-F855 HydrophobicContact CZ3-CE1 4.14Å; W852-F855 PolarHBondContact O-N 3.09Å; W852-L856 VanDerWaalsContact O-CB 3.31Å; W852-L856 WeakPolarHBondContact O-CB 3.38Å; W852-L856 WeakPolarHBondContact O-CD1 3.4Å; W852-L856 VanDerWaalsContact O-CG 3.27Å; W852-L856 WeakPolarHBondContact O-CG 3.3Å; W852-L856 PolarHBondContact O-N 3.3Å |
| 853 | A | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F837 A849 L850 H851 L856 A857 I1021 C1024 L1025 | F837-A853 HydrophobicContact CD2-CB 4.07Å; F837-A853 HydrophobicContact CE2-CB 3.71Å; F837-A853 HydrophobicContact CZ-CB 4.45Å; A849-A853 VanDerWaalsContact O-CB 3.3Å; A849-A853 WeakPolarHBondContact O-CB 3.26Å; A849-A853 PolarHBondContact O-N 2.97Å; L850-A853 WeakPolarHBondContact O-CB 3.29Å; L850-A853 PolarHBondContact O-N 3.26Å; H851-A853 VanDerWaalsContact C-N 3.34Å; A853-L856 PolarHBondContact O-N 2.93Å; A853-A857 VanDerWaalsContact O-CB 3.32Å; A853-A857 WeakPolarHBondContact O-CB 3.36Å; A853-A857 PolarHBondContact O-N 3.23Å; A853-I1021 HydrophobicContact CB-CG2 4.39Å; A853-C1024 HydrophobicContact CB-CB 4.38Å; A853-L1025 HydrophobicContact CB-CD2 4.16Å; A853-L1025 HydrophobicContact CB-CG 4.27Å |
| 854 | R | 93.5 | Very high | 89.8 | Confident | 15 Ų | 15 | 23.1 Ų | 23.1 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 174.3 | -71.7 | 175.7 | -178 | 154.6 | 6.6 | 112.1 | F752 L850 H851 A857 L858 L1025 W1098 D1102 L1105 | F752-R854 HydrophobicContact CE2-CB 3.85Å; F752-R854 HydrophobicContact CZ-CB 3.92Å; F752-R854 HydrophobicContact CZ-CG 4.48Å; L850-R854 WeakPolarHBondContact O-CG 3.35Å; L850-R854 PolarHBondContact O-N 3.12Å; H851-R854 PolarHBondContact O-N 3.2Å; R854-A857 PolarHBondContact O-N 3.31Å; R854-L858 PolarHBondContact O-N 3.25Å; R854-L1025 HydrophobicContact CG-CD2 3.97Å; R854-W1098 VanDerWaalsContact CZ-CE3 3.44Å; R854-D1102 WeakPolarHBondContact CG-OD1 3.5Å; R854-D1102 IonicContact CZ-OD1 3.17Å; R854-D1102 IonicContact CZ-OD2 3.65Å; R854-D1102 IonicContact NE-OD1 3.5Å; R854-D1102 PolarHBondContact NE-OD1 3.13Å; R854-D1102 IonicContact NE-OD2 3Å; R854-D1102 IonicContact NH2-OD1 3Å; R854-D1102 PolarHBondContact NH2-OD1 3.33Å; R854-D1102 IonicContact NH2-OD2 3.11Å; R854-D1102 PolarHBondContact NH2-OD2 3.24Å; R854-L1105 HydrophobicContact CB-CD1 4.46Å; R854-L1105 HydrophobicContact CG-CD1 4.2Å |
| 855 | F | 92.6 | Very high | 90 | Very high | 1.25 Ų | 1.25 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.7 | 174.4 | -106 | 0 | 0 | 0 | 112.4 | P742 P743 T744 I777 F780 A833 H851 W852 A857 L858 L859 | P742-F855 HydrophobicContact CB-CB 3.66Å; P742-F855 HydrophobicContact CB-CD1 4.14Å; P742-F855 HydrophobicContact CB-CD2 3.77Å; P742-F855 HydrophobicContact CB-CE2 4.5Å; P742-F855 HydrophobicContact CB-CG 3.57Å; P742-F855 HydrophobicContact CG-CB 4.16Å; P742-F855 HydrophobicContact CG-CG 4.49Å; P743-F855 HydrophobicContact CG-CD2 4.25Å; P743-F855 HydrophobicContact CG-CE2 4.04Å; T744-F855 HydrophobicContact CG2-CB 4.45Å; T744-F855 HydrophobicContact CG2-CD2 4.35Å; I777-F855 HydrophobicContact CD1-CD2 4.02Å; I777-F855 HydrophobicContact CD1-CE2 4Å; I777-F855 HydrophobicContact CG2-CE2 3.92Å; I777-F855 HydrophobicContact CG2-CZ 4.43Å; F780-F855 HydrophobicContact CD1-CE1 4.39Å; F780-F855 AromaticContact CD1-CE2 3.82Å; F780-F855 HydrophobicContact CD1-CE2 3.82Å; F780-F855 AromaticContact CD1-CZ 3.61Å; F780-F855 HydrophobicContact CD1-CZ 3.61Å; F780-F855 HydrophobicContact CE1-CE2 4.43Å; F780-F855 HydrophobicContact CE1-CZ 4.14Å; A833-F855 HydrophobicContact CB-CE1 4.39Å; H851-F855 PolarHBondContact O-N 3.14Å; H851-F855 VanDerWaalsContact O-N 3.14Å; W852-F855 AromaticContact CE3-CD1 3.99Å; W852-F855 HydrophobicContact CE3-CD1 4Å; W852-F855 AromaticContact CZ3-CD1 3.96Å; W852-F855 HydrophobicContact CZ3-CD1 4Å; W852-F855 HydrophobicContact CZ3-CE1 4.14Å; W852-F855 PolarHBondContact O-N 3.09Å; F855-A857 VanDerWaalsContact C-N 3.32Å; F855-A857 PolarHBondContact O-N 3.18Å; F855-L858 PolarHBondContact O-N 2.95Å; F855-L859 HydrophobicContact CE1-CD2 4.11Å; F855-L859 HydrophobicContact CZ-CD2 4.35Å; F855-L859 WeakPolarHBondContact O-CB 3.4Å; F855-L859 PolarHBondContact O-N 3.36Å |
| 856 | L | 93 | Very high | 90 | Very high | 0.5 Ų | 0.5 | 27.5 Ų | 27.5 | 0% | 0.003 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 178.3 | -76 | 164.3 | 0 | 0 | 0 | 112.5 | I830 A833 F834 F837 W852 A853 L859 L860 I1021 | I830-L856 HydrophobicContact CG2-CD2 4.48Å; A833-L856 HydrophobicContact CB-CD2 3.7Å; A833-L856 HydrophobicContact CB-CG 4.4Å; F834-L856 HydrophobicContact CB-CD1 4.4Å; F834-L856 HydrophobicContact CB-CD2 4.4Å; F834-L856 HydrophobicContact CD2-CD1 4.29Å; F837-L856 HydrophobicContact CB-CD1 3.39Å; F837-L856 VanDerWaalsContact CB-CD1 3.41Å; F837-L856 HydrophobicContact CD1-CD1 3.97Å; F837-L856 HydrophobicContact CG-CD1 3.72Å; W852-L856 VanDerWaalsContact O-CB 3.31Å; W852-L856 WeakPolarHBondContact O-CB 3.38Å; W852-L856 WeakPolarHBondContact O-CD1 3.4Å; W852-L856 VanDerWaalsContact O-CG 3.27Å; W852-L856 WeakPolarHBondContact O-CG 3.3Å; W852-L856 PolarHBondContact O-N 3.3Å; A853-L856 PolarHBondContact O-N 2.93Å; L856-L859 HydrophobicContact CD2-CD2 4.4Å; L856-L859 PolarHBondContact O-N 2.91Å; L856-L860 WeakPolarHBondContact O-CB 3.43Å; L856-L860 VanDerWaalsContact O-CG 3.28Å; L856-L860 WeakPolarHBondContact O-CG 3.41Å; L856-L860 PolarHBondContact O-N 2.99Å; L856-I1021 HydrophobicContact CB-CD1 3.61Å; L856-I1021 HydrophobicContact CB-CG1 4.34Å; L856-I1021 HydrophobicContact CD1-CD1 4.39Å |
| 857 | A | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A853 R854 F855 L859 L860 L861 I1021 L1105 L1109 | A853-A857 VanDerWaalsContact O-CB 3.32Å; A853-A857 WeakPolarHBondContact O-CB 3.36Å; A853-A857 PolarHBondContact O-N 3.23Å; R854-A857 PolarHBondContact O-N 3.31Å; F855-A857 VanDerWaalsContact C-N 3.32Å; F855-A857 PolarHBondContact O-N 3.18Å; A857-L859 PolarHBondContact O-N 3.35Å; A857-L860 PolarHBondContact O-N 3.17Å; A857-L861 WeakPolarHBondContact O-CB 3.27Å; A857-L861 WeakPolarHBondContact O-CD1 3.31Å; A857-L861 WeakPolarHBondContact O-CG 3.35Å; A857-L861 PolarHBondContact O-N 3.23Å; A857-I1021 HydrophobicContact CB-CG2 4.19Å; A857-L1105 HydrophobicContact CB-CB 4.29Å; A857-L1105 HydrophobicContact CB-CD1 4.12Å; A857-L1105 HydrophobicContact CB-CD2 4.02Å; A857-L1105 HydrophobicContact CB-CG 4.39Å; A857-L1109 HydrophobicContact CB-CD1 3.74Å; A857-L1109 HydrophobicContact CB-CG 4.43Å |
| 858 | L | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 174.8 | -65.9 | -177.9 | 0 | 0 | 0 | 111.9 | T744 F752 F755 I777 R854 F855 L860 L861 Y862 L1105 | T744-L858 HydrophobicContact CG2-CD1 3.99Å; F752-L858 HydrophobicContact CE1-CD1 4.26Å; F752-L858 HydrophobicContact CE1-CD2 4.32Å; F752-L858 HydrophobicContact CE1-CG 4.41Å; F752-L858 HydrophobicContact CE2-CD1 3.8Å; F752-L858 HydrophobicContact CE2-CG 4.4Å; F752-L858 HydrophobicContact CZ-CD1 3.6Å; F752-L858 HydrophobicContact CZ-CD2 4.19Å; F752-L858 HydrophobicContact CZ-CG 3.8Å; F755-L858 HydrophobicContact CB-CD1 3.87Å; F755-L858 WeakPolarHBondContact O-CD2 3.34Å; I777-L858 HydrophobicContact CD1-CD1 4.35Å; R854-L858 PolarHBondContact O-N 3.25Å; F855-L858 PolarHBondContact O-N 2.95Å; L858-L860 VanDerWaalsContact C-N 3.35Å; L858-L860 PolarHBondContact O-N 2.96Å; L858-L861 PolarHBondContact O-N 3.22Å; L858-L861 VanDerWaalsContact O-N 3.16Å; L858-Y862 HydrophobicContact CB-CD2 4.39Å; L858-Y862 HydrophobicContact CB-CE2 4.36Å; L858-Y862 WeakPolarHBondContact O-CD2 3.35Å; L858-Y862 PolarHBondContact O-N 3.07Å; L858-L1105 HydrophobicContact CD2-CD2 4.06Å |
| 859 | L | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | -179.6 | -176.1 | 63.5 | 0 | 0 | 0 | 112.5 | I777 L778 I830 F855 L856 A857 L861 Y862 T863 | I777-L859 HydrophobicContact CG2-CB 4.14Å; I777-L859 HydrophobicContact CG2-CD1 4.04Å; L778-L859 HydrophobicContact CD2-CD1 3.89Å; I830-L859 HydrophobicContact CB-CD2 4.45Å; I830-L859 HydrophobicContact CG1-CD2 4.05Å; I830-L859 HydrophobicContact CG1-CG 4.3Å; I830-L859 HydrophobicContact CG2-CD2 4.45Å; F855-L859 HydrophobicContact CE1-CD2 4.11Å; F855-L859 HydrophobicContact CZ-CD2 4.35Å; F855-L859 WeakPolarHBondContact O-CB 3.4Å; F855-L859 PolarHBondContact O-N 3.36Å; L856-L859 HydrophobicContact CD2-CD2 4.4Å; L856-L859 PolarHBondContact O-N 2.91Å; A857-L859 PolarHBondContact O-N 3.35Å; L859-L861 PolarHBondContact O-N 2.94Å; L859-Y862 PolarHBondContact O-N 3.47Å; L859-T863 WeakPolarHBondContact O-CB 3.41Å; L859-T863 WeakPolarHBondContact O-CG2 3.31Å; L859-T863 PolarHBondContact O-N 3.1Å; L859-T863 VanDerWaalsContact O-N 3.11Å; L859-T863 PolarHBondContact O-OG1 3.28Å |
| 860 | L | 92 | Very high | 90 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 175.5 | -72.9 | 172.8 | 0 | 0 | 0 | 112.3 | I830 L856 A857 L858 T863 S864 Q1017 I1018 I1021 L1109 | I830-L860 HydrophobicContact CG2-CD2 3.84Å; I830-L860 HydrophobicContact CG2-CG 4.47Å; L856-L860 WeakPolarHBondContact O-CB 3.43Å; L856-L860 VanDerWaalsContact O-CG 3.28Å; L856-L860 WeakPolarHBondContact O-CG 3.41Å; L856-L860 PolarHBondContact O-N 2.99Å; A857-L860 PolarHBondContact O-N 3.17Å; L858-L860 VanDerWaalsContact C-N 3.35Å; L858-L860 PolarHBondContact O-N 2.96Å; L860-T863 PolarHBondContact O-OG1 2.91Å; L860-S864 WeakPolarHBondContact O-CA 3.31Å; L860-S864 VanDerWaalsContact O-CB 3.28Å; L860-S864 WeakPolarHBondContact O-CB 3.45Å; L860-S864 PolarHBondContact O-N 3.19Å; L860-Q1017 HydrophobicContact CD1-CB 4.39Å; L860-I1018 HydrophobicContact CD1-CG1 4.07Å; L860-I1021 HydrophobicContact CD1-CD1 3.42Å; L860-I1021 VanDerWaalsContact CD1-CD1 3.42Å; L860-L1109 HydrophobicContact CB-CD2 4Å; L860-L1109 HydrophobicContact CD1-CD2 4.46Å |
| 861 | L | 91.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.4 | -45.8 | 176.2 | -70.1 | 167.9 | 0 | 0 | 0 | 111.3 | P757 F759 V764 A857 L858 L859 T863 S864 L1105 R1108 L1109 | P757-L861 HydrophobicContact CG-CB 4.11Å; F759-L861 HydrophobicContact CE1-CD2 4.01Å; F759-L861 HydrophobicContact CZ-CD1 4.13Å; F759-L861 HydrophobicContact CZ-CD2 3.91Å; F759-L861 HydrophobicContact CZ-CG 4.35Å; V764-L861 HydrophobicContact CG2-CB 4.45Å; V764-L861 WeakPolarHBondContact CG2-O 3.42Å; A857-L861 WeakPolarHBondContact O-CB 3.27Å; A857-L861 WeakPolarHBondContact O-CD1 3.31Å; A857-L861 WeakPolarHBondContact O-CG 3.35Å; A857-L861 PolarHBondContact O-N 3.23Å; L858-L861 PolarHBondContact O-N 3.22Å; L858-L861 VanDerWaalsContact O-N 3.16Å; L859-L861 PolarHBondContact O-N 2.94Å; L861-T863 VanDerWaalsContact C-N 3.34Å; L861-T863 PolarHBondContact O-N 3.37Å; L861-S864 WeakPolarHBondContact O-CB 3.33Å; L861-S864 PolarHBondContact O-N 3.03Å; L861-S864 PolarHBondContact O-OG 3.37Å; L861-L1105 HydrophobicContact CD1-CD2 4.14Å; L861-R1108 HydrophobicContact CD1-CB 4.22Å; L861-R1108 HydrophobicContact CD2-CB 4.08Å; L861-L1109 HydrophobicContact CD1-CD2 4.48Å; L861-L1109 HydrophobicContact CD2-CD2 3.91Å; L861-L1109 HydrophobicContact CD2-CG 4.39Å; L861-L1109 HydrophobicContact CG-CD2 3.82Å; L861-L1109 HydrophobicContact CG-CG 4.4Å |
| 862 | Y | 89 | Confident | 89.7 | Confident | 32.5 Ų | 32.5 | 22.8 Ų | 22.8 | 13% | 0.127 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 176.5 | -77 | -62.3 | 0 | 0 | 0 | 113.2 | F755 P757 A774 I777 L858 L859 S864 | F755-Y862 PolarHBondContact O-OH 3.17Å; F755-Y862 VanDerWaalsContact O-OH 3.05Å; P757-Y862 HydrophobicContact CB-CD1 4.39Å; P757-Y862 HydrophobicContact CB-CE1 3.88Å; P757-Y862 HydrophobicContact CG-CE1 4.34Å; A774-Y862 HydrophobicContact CB-CD1 3.61Å; A774-Y862 HydrophobicContact CB-CE1 3.47Å; A774-Y862 VanDerWaalsContact CB-CE1 3.47Å; A774-Y862 HydrophobicContact CB-CE2 4.47Å; A774-Y862 HydrophobicContact CB-CG 4.18Å; I777-Y862 HydrophobicContact CB-CD2 4.48Å; I777-Y862 HydrophobicContact CG1-CE2 4.31Å; I777-Y862 HydrophobicContact CG2-CD2 4.34Å; L858-Y862 HydrophobicContact CB-CD2 4.39Å; L858-Y862 HydrophobicContact CB-CE2 4.36Å; L858-Y862 WeakPolarHBondContact O-CD2 3.35Å; L858-Y862 PolarHBondContact O-N 3.07Å; L859-Y862 PolarHBondContact O-N 3.47Å; Y862-S864 VanDerWaalsContact C-N 3.33Å |
| 863 | T | 88.1 | Confident | 89.4 | Confident | 16.5 Ų | 16.5 | 28.7 Ų | 28.7 | 10% | 0.101 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -86.3 | -7.5 | 177.3 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | L778 I830 L859 L860 L861 N865 E866 F867 | L778-T863 HydrophobicContact CD2-CG2 3.84Å; I830-T863 HydrophobicContact CD1-CG2 4.2Å; L859-T863 WeakPolarHBondContact O-CB 3.41Å; L859-T863 WeakPolarHBondContact O-CG2 3.31Å; L859-T863 PolarHBondContact O-N 3.1Å; L859-T863 VanDerWaalsContact O-N 3.11Å; L859-T863 PolarHBondContact O-OG1 3.28Å; L860-T863 PolarHBondContact O-OG1 2.91Å; L861-T863 VanDerWaalsContact C-N 3.34Å; L861-T863 PolarHBondContact O-N 3.37Å; T863-N865 PolarHBondContact O-N 3.24Å; T863-E866 PolarHBondContact O-N 3.28Å; T863-F867 PolarHBondContact O-N 2.99Å |
| 864 | S | 88.4 | Confident | 89.1 | Confident | 1.5 Ų | 1.5 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | -172.8 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | L860 L861 Y862 E866 F867 I868 | L860-S864 WeakPolarHBondContact O-CA 3.31Å; L860-S864 VanDerWaalsContact O-CB 3.28Å; L860-S864 WeakPolarHBondContact O-CB 3.45Å; L860-S864 PolarHBondContact O-N 3.19Å; L861-S864 WeakPolarHBondContact O-CB 3.33Å; L861-S864 PolarHBondContact O-N 3.03Å; L861-S864 PolarHBondContact O-OG 3.37Å; Y862-S864 VanDerWaalsContact C-N 3.33Å; S864-E866 VanDerWaalsContact C-N 3.35Å; S864-E866 PolarHBondContact O-N 3.19Å; S864-F867 PolarHBondContact O-N 2.86Å; S864-I868 VanDerWaalsContact O-CB 3.26Å; S864-I868 WeakPolarHBondContact O-CB 3.42Å; S864-I868 WeakPolarHBondContact O-CD1 3.43Å; S864-I868 WeakPolarHBondContact O-CG1 3.31Å; S864-I868 PolarHBondContact O-N 3.1Å |
| 865 | N | 86 | Confident | 88.8 | Confident | 42.75 Ų | 42.75 | 28.1 Ų | 28.1 | 23% | 0.229 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | -176.7 | -73.6 | -11.2 | 0 | 0 | 0 | 112.5 | H763 V764 T863 N869 | H763-N865 PolarHBondContact ND1-OD1 3.17Å; V764-N865 PolarHBondContact O-ND2 3.06Å; T863-N865 PolarHBondContact O-N 3.24Å; N865-N869 WeakPolarHBondContact O-CB 3.35Å; N865-N869 VanDerWaalsContact O-CG 3.24Å; N865-N869 PolarHBondContact O-N 3.09Å; N865-N869 VanDerWaalsContact O-N 3.11Å; N865-N869 PolarHBondContact O-ND2 3.17Å; N865-N869 VanDerWaalsContact O-ND2 3.13Å |
| 866 | E | 84.9 | Confident | 88.5 | Confident | 139 Ų | 139 | 30.6 Ų | 30.6 | 65% | 0.65 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -64 | -49.9 | 175.6 | -176.7 | 175.7 | -158.4 | 0 | 0 | 110.6 | T863 S864 I868 N869 E870 | T863-E866 PolarHBondContact O-N 3.28Å; S864-E866 VanDerWaalsContact C-N 3.35Å; S864-E866 PolarHBondContact O-N 3.19Å; E866-I868 VanDerWaalsContact C-N 3.35Å; E866-I868 PolarHBondContact O-N 2.93Å; E866-N869 PolarHBondContact O-N 3.21Å; E866-E870 PolarHBondContact O-N 3.3Å |
| 867 | F | 87.9 | Confident | 88.2 | Confident | 19.5 Ų | 19.5 | 34 Ų | 34 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 179.6 | -176.5 | -111.1 | 0 | 0 | 0 | 113.5 | T863 S864 E870 C871 K1010 W1014 F1116 | T863-F867 PolarHBondContact O-N 2.99Å; S864-F867 PolarHBondContact O-N 2.86Å; F867-E870 PolarHBondContact O-N 3.4Å; F867-C871 WeakPolarHBondContact CE2-SG 3.28Å; F867-C871 VanDerWaalsContact CZ-SG 3.58Å; F867-C871 WeakPolarHBondContact CZ-SG 3.48Å; F867-C871 WeakPolarHBondContact O-CB 3.32Å; F867-C871 PolarHBondContact O-N 3.01Å; F867-C871 PolarHBondContact O-SG 3.42Å; F867-C871 VanDerWaalsContact O-SG 3.38Å; F867-K1010 HydrophobicContact CD2-CD 4.48Å; F867-K1010 HydrophobicContact CE2-CB 4.48Å; F867-K1010 HydrophobicContact CE2-CD 3.77Å; F867-K1010 HydrophobicContact CE2-CG 3.81Å; F867-K1010 HydrophobicContact CZ-CG 4.36Å; F867-W1014 HydrophobicContact CD1-CB 4.38Å; F867-W1014 AromaticContact CD1-CD1 3.85Å; F867-W1014 AromaticContact CD1-CD2 3.54Å; F867-W1014 HydrophobicContact CD1-CD2 3.54Å; F867-W1014 AromaticContact CD1-CE2 3.62Å; F867-W1014 AromaticContact CD1-CE3 4Å; F867-W1014 HydrophobicContact CD1-CE3 4.02Å; F867-W1014 AromaticContact CD1-CG 3.71Å; F867-W1014 HydrophobicContact CD1-CG 3.71Å; F867-W1014 HydrophobicContact CD1-CZ2 4.19Å; F867-W1014 AromaticContact CD1-NE1 3.8Å; F867-W1014 HydrophobicContact CE1-CB 3.56Å; F867-W1014 AromaticContact CE1-CD1 3.9Å; F867-W1014 AromaticContact CE1-CD2 3.36Å; F867-W1014 HydrophobicContact CE1-CD2 3.36Å; F867-W1014 AromaticContact CE1-CE2 3.96Å; F867-W1014 AromaticContact CE1-CE3 3.65Å; F867-W1014 HydrophobicContact CE1-CE3 3.65Å; F867-W1014 AromaticContact CE1-CG 3.33Å; F867-W1014 HydrophobicContact CE1-CG 3.33Å; F867-W1014 HydrophobicContact CE1-CZ3 4.46Å; F867-W1014 HydrophobicContact CZ-CB 3.72Å; F867-W1014 HydrophobicContact CZ-CD2 4.35Å; F867-W1014 AromaticContact CZ-CG 3.89Å; F867-W1014 HydrophobicContact CZ-CG 3.95Å; F867-F1116 AromaticContact CD1-CE2 3.89Å; F867-F1116 HydrophobicContact CD1-CE2 3.99Å; F867-F1116 HydrophobicContact CE1-CD2 4.37Å; F867-F1116 AromaticContact CE1-CE2 3.48Å; F867-F1116 HydrophobicContact CE1-CE2 3.48Å; F867-F1116 VanDerWaalsContact CE1-CE2 3.45Å; F867-F1116 AromaticContact CE1-CZ 3.9Å; F867-F1116 HydrophobicContact CE1-CZ 4.02Å; F867-F1116 HydrophobicContact CZ-CE2 4.31Å; F867-F1116 HydrophobicContact CZ-CZ 4.41Å |
| 868 | I | 87.6 | Confident | 87.8 | Confident | 8.75 Ų | 8.75 | 34 Ų | 34 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 175 | -77.7 | 166.8 | 0 | 0 | 0 | 110.4 | S864 E866 E870 C871 E872 F1116 P1117 | S864-I868 VanDerWaalsContact O-CB 3.26Å; S864-I868 WeakPolarHBondContact O-CB 3.42Å; S864-I868 WeakPolarHBondContact O-CD1 3.43Å; S864-I868 WeakPolarHBondContact O-CG1 3.31Å; S864-I868 PolarHBondContact O-N 3.1Å; E866-I868 VanDerWaalsContact C-N 3.35Å; E866-I868 PolarHBondContact O-N 2.93Å; I868-E870 VanDerWaalsContact C-N 3.34Å; I868-E870 PolarHBondContact O-N 3Å; I868-C871 PolarHBondContact O-N 3.24Å; I868-E872 WeakPolarHBondContact O-CB 3.37Å; I868-E872 PolarHBondContact O-N 3Å; I868-F1116 HydrophobicContact CG1-CD2 4.36Å; I868-P1117 HydrophobicContact CB-CG 4.43Å; I868-P1117 HydrophobicContact CG2-CG 3.89Å; I868-P1117 VanDerWaalsContact O-CG 3.29Å; I868-P1117 WeakPolarHBondContact O-CG 3.29Å |
| 869 | N | 85.7 | Confident | 87.4 | Confident | 80.25 Ų | 80.25 | 34.1 Ų | 34.1 | 43% | 0.429 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.8 | -71 | -26.3 | 0 | 0 | 0 | 112.2 | N865 E866 E872 Q873 | N865-N869 WeakPolarHBondContact O-CB 3.35Å; N865-N869 VanDerWaalsContact O-CG 3.24Å; N865-N869 PolarHBondContact O-N 3.09Å; N865-N869 VanDerWaalsContact O-N 3.11Å; N865-N869 PolarHBondContact O-ND2 3.17Å; N865-N869 VanDerWaalsContact O-ND2 3.13Å; E866-N869 PolarHBondContact O-N 3.21Å; N869-E872 PolarHBondContact O-N 2.87Å; N869-Q873 WeakPolarHBondContact O-CB 3.37Å; N869-Q873 VanDerWaalsContact O-CG 3.27Å; N869-Q873 WeakPolarHBondContact O-CG 3.38Å; N869-Q873 PolarHBondContact O-N 3.2Å; N869-Q873 VanDerWaalsContact O-N 3.11Å; N869-Q873 PolarHBondContact O-NE2 3.3Å |
| 870 | E | 87.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 35.1 Ų | 35.1 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 172.9 | -92 | -170.1 | 151.6 | 0 | 0 | 111.8 | E866 F867 I868 Q873 A874 Y1007 K1010 | E866-E870 PolarHBondContact O-N 3.3Å; F867-E870 PolarHBondContact O-N 3.4Å; I868-E870 VanDerWaalsContact C-N 3.34Å; I868-E870 PolarHBondContact O-N 3Å; E870-Q873 PolarHBondContact O-N 3.16Å; E870-A874 VanDerWaalsContact O-CB 3.28Å; E870-A874 WeakPolarHBondContact O-CB 3.33Å; E870-A874 PolarHBondContact O-N 3.04Å; E870-Y1007 HydrophobicContact CG-CE1 3.88Å; E870-Y1007 WeakPolarHBondContact OE1-CE1 3.17Å; E870-Y1007 PolarHBondContact OE1-OH 3.44Å; E870-Y1007 VanDerWaalsContact OE1-OH 3.09Å; E870-K1010 VanDerWaalsContact CD-NZ 3.34Å; E870-K1010 IonicContact OE1-NZ 3.02Å; E870-K1010 PolarHBondContact OE1-NZ 3.2Å; E870-K1010 IonicContact OE2-NZ 3.31Å; E870-K1010 PolarHBondContact OE2-NZ 3.27Å |
| 871 | C | 87.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | -178.1 | -73.9 | 0 | 0 | 0 | 0 | 112.7 | F867 I868 S875 F1116 P1117 | F867-C871 WeakPolarHBondContact CE2-SG 3.28Å; F867-C871 VanDerWaalsContact CZ-SG 3.58Å; F867-C871 WeakPolarHBondContact CZ-SG 3.48Å; F867-C871 WeakPolarHBondContact O-CB 3.32Å; F867-C871 PolarHBondContact O-N 3.01Å; F867-C871 PolarHBondContact O-SG 3.42Å; F867-C871 VanDerWaalsContact O-SG 3.38Å; I868-C871 PolarHBondContact O-N 3.24Å; C871-S875 VanDerWaalsContact O-CB 3.3Å; C871-S875 WeakPolarHBondContact O-CB 3.38Å; C871-S875 PolarHBondContact O-N 3.08Å; C871-S875 PolarHBondContact O-OG 3.29Å; C871-F1116 HydrophobicContact CB-CE2 3.87Å; C871-F1116 HydrophobicContact CB-CZ 3.95Å; C871-F1116 VanDerWaalsContact SG-CZ 3.58Å; C871-P1117 HydrophobicContact CB-CG 4.21Å |
| 872 | E | 87.4 | Confident | 85 | Confident | 47.5 Ų | 47.5 | 39.6 Ų | 39.6 | 22% | 0.222 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 172.1 | 178.1 | 161.4 | -165.4 | 0 | 0 | 111.1 | I868 N869 A874 S875 F876 P1117 H1171 | I868-E872 WeakPolarHBondContact O-CB 3.37Å; I868-E872 PolarHBondContact O-N 3Å; N869-E872 PolarHBondContact O-N 2.87Å; E872-A874 PolarHBondContact O-N 3.11Å; E872-S875 WeakPolarHBondContact O-CB 3.36Å; E872-S875 PolarHBondContact O-N 3.27Å; E872-F876 HydrophobicContact CG-CD2 3.93Å; E872-F876 HydrophobicContact CG-CE2 3.59Å; E872-F876 VanDerWaalsContact O-CD2 3.23Å; E872-F876 WeakPolarHBondContact O-CD2 3.38Å; E872-F876 PolarHBondContact O-N 3.38Å; E872-F876 VanDerWaalsContact O-N 3.12Å; E872-P1117 HydrophobicContact CB-CB 4.03Å; E872-P1117 HydrophobicContact CB-CG 4.07Å; E872-H1171 HydrophobicContact CG-CB 4Å; E872-H1171 WeakPolarHBondContact OE1-CB 3.39Å; E872-H1171 IonicContact OE1-CG 3.32Å |
| 873 | Q | 86.2 | Confident | 83.7 | Confident | 130.25 Ų | 130.25 | 43.1 Ų | 43.1 | 61% | 0.609 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.8 | -46.5 | 177.2 | -91.3 | 174.6 | 25.9 | 0 | 0 | 112.4 | N869 E870 S875 F876 E877 | N869-Q873 WeakPolarHBondContact O-CB 3.37Å; N869-Q873 VanDerWaalsContact O-CG 3.27Å; N869-Q873 WeakPolarHBondContact O-CG 3.38Å; N869-Q873 PolarHBondContact O-N 3.2Å; N869-Q873 VanDerWaalsContact O-N 3.11Å; N869-Q873 PolarHBondContact O-NE2 3.3Å; E870-Q873 PolarHBondContact O-N 3.16Å; Q873-S875 VanDerWaalsContact C-N 3.29Å; Q873-S875 PolarHBondContact O-N 3.26Å; Q873-F876 PolarHBondContact O-N 2.99Å; Q873-F876 VanDerWaalsContact O-N 3.16Å; Q873-E877 PolarHBondContact O-N 3.15Å |
| 874 | A | 86.5 | Confident | 81.9 | Confident | 2.75 Ų | 2.75 | 49.7 Ų | 49.7 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E870 E872 E877 I878 Y1007 | E870-A874 VanDerWaalsContact O-CB 3.28Å; E870-A874 WeakPolarHBondContact O-CB 3.33Å; E870-A874 PolarHBondContact O-N 3.04Å; E872-A874 PolarHBondContact O-N 3.11Å; A874-E877 PolarHBondContact O-N 3.02Å; A874-I878 WeakPolarHBondContact O-CB 3.46Å; A874-I878 WeakPolarHBondContact O-CD1 3.31Å; A874-I878 WeakPolarHBondContact O-CG1 3.38Å; A874-I878 PolarHBondContact O-N 2.99Å; A874-Y1007 HydrophobicContact CB-CD1 3.54Å; A874-Y1007 VanDerWaalsContact CB-CD1 3.47Å; A874-Y1007 HydrophobicContact CB-CD2 3.85Å; A874-Y1007 HydrophobicContact CB-CE1 3.49Å; A874-Y1007 VanDerWaalsContact CB-CE1 3.44Å; A874-Y1007 HydrophobicContact CB-CE2 3.8Å; A874-Y1007 HydrophobicContact CB-CG 3.72Å |
| 875 | S | 87.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | C871 E872 Q873 E877 I878 V879 P1119 H1171 | C871-S875 VanDerWaalsContact O-CB 3.3Å; C871-S875 WeakPolarHBondContact O-CB 3.38Å; C871-S875 PolarHBondContact O-N 3.08Å; C871-S875 PolarHBondContact O-OG 3.29Å; E872-S875 WeakPolarHBondContact O-CB 3.36Å; E872-S875 PolarHBondContact O-N 3.27Å; Q873-S875 VanDerWaalsContact C-N 3.29Å; Q873-S875 PolarHBondContact O-N 3.26Å; S875-E877 VanDerWaalsContact C-N 3.33Å; S875-E877 PolarHBondContact O-N 3.05Å; S875-I878 PolarHBondContact O-N 3.36Å; S875-V879 WeakPolarHBondContact O-CB 3.29Å; S875-V879 VanDerWaalsContact O-CG2 3.32Å; S875-V879 WeakPolarHBondContact O-CG2 3.18Å; S875-V879 PolarHBondContact O-N 3.29Å; S875-V879 VanDerWaalsContact O-N 3.11Å; S875-P1119 WeakPolarHBondContact OG-CA 3.37Å; S875-P1119 WeakPolarHBondContact OG-CB 3.19Å; S875-H1171 WeakPolarHBondContact CB-NE2 3.32Å; S875-H1171 PolarHBondContact OG-NE2 3.35Å; S875-H1171 VanDerWaalsContact OG-NE2 3.14Å |
| 876 | F | 86.4 | Confident | 77.5 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 174 | -76.2 | -64.2 | 0 | 0 | 0 | 112.5 | E872 Q873 G880 L1170 H1171 I1175 | E872-F876 HydrophobicContact CG-CD2 3.93Å; E872-F876 HydrophobicContact CG-CE2 3.59Å; E872-F876 VanDerWaalsContact O-CD2 3.23Å; E872-F876 WeakPolarHBondContact O-CD2 3.38Å; E872-F876 PolarHBondContact O-N 3.38Å; E872-F876 VanDerWaalsContact O-N 3.12Å; Q873-F876 PolarHBondContact O-N 2.99Å; Q873-F876 VanDerWaalsContact O-N 3.16Å; F876-G880 WeakPolarHBondContact O-CA 3.36Å; F876-G880 PolarHBondContact O-N 3.13Å; F876-L1170 HydrophobicContact CE1-CD2 4.24Å; F876-L1170 HydrophobicContact CE1-CG 4.19Å; F876-L1170 HydrophobicContact CZ-CB 4.3Å; F876-L1170 HydrophobicContact CZ-CD2 4.24Å; F876-L1170 HydrophobicContact CZ-CG 4.05Å; F876-H1171 HydrophobicContact CE2-CB 3.98Å; F876-H1171 HydrophobicContact CZ-CB 3.84Å; F876-I1175 HydrophobicContact CD1-CD1 3.62Å; F876-I1175 HydrophobicContact CE1-CD1 3.85Å; F876-I1175 HydrophobicContact CE1-CG1 4.43Å; F876-I1175 HydrophobicContact CG-CD1 4.06Å; F876-I1175 HydrophobicContact CZ-CD1 4.42Å |
| 877 | E | 85.7 | Confident | 75.2 | Confident | 70.75 Ų | 70.75 | 53.2 Ų | 53.2 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 176.4 | -175.4 | 175.8 | -157.5 | 0 | 0 | 112.4 | Q873 A874 S875 V879 G880 R881 L1003 | Q873-E877 PolarHBondContact O-N 3.15Å; A874-E877 PolarHBondContact O-N 3.02Å; S875-E877 VanDerWaalsContact C-N 3.33Å; S875-E877 PolarHBondContact O-N 3.05Å; E877-V879 VanDerWaalsContact C-N 3.35Å; E877-V879 PolarHBondContact O-N 3.14Å; E877-G880 PolarHBondContact O-N 3.21Å; E877-R881 VanDerWaalsContact CD-CZ 3.49Å; E877-R881 VanDerWaalsContact CD-NE 3.34Å; E877-R881 VanDerWaalsContact CD-NH2 3.3Å; E877-R881 HydrophobicContact CG-CG 4.31Å; E877-R881 VanDerWaalsContact CG-NE 3.35Å; E877-R881 VanDerWaalsContact O-CB 3.31Å; E877-R881 WeakPolarHBondContact O-CB 3.33Å; E877-R881 VanDerWaalsContact O-CG 3.28Å; E877-R881 WeakPolarHBondContact O-CG 3.26Å; E877-R881 PolarHBondContact O-N 3.18Å; E877-R881 VanDerWaalsContact O-N 3.09Å; E877-R881 IonicContact OE1-CZ 3.02Å; E877-R881 IonicContact OE1-NE 3.47Å; E877-R881 PolarHBondContact OE1-NE 2.98Å; E877-R881 IonicContact OE1-NH1 2.82Å; E877-R881 PolarHBondContact OE1-NH1 3.09Å; E877-R881 IonicContact OE1-NH2 2.95Å; E877-R881 PolarHBondContact OE1-NH2 3.2Å; E877-R881 IonicContact OE2-CZ 3.95Å; E877-R881 IonicContact OE2-NH1 3.57Å; E877-R881 IonicContact OE2-NH2 3.61Å; E877-L1003 HydrophobicContact CB-CD2 4.23Å; E877-L1003 VanDerWaalsContact CD-CD2 3.41Å; E877-L1003 HydrophobicContact CG-CD2 3.79Å; E877-L1003 VanDerWaalsContact OE2-CD2 3.26Å; E877-L1003 WeakPolarHBondContact OE2-CD2 3.37Å |
| 878 | I | 85 | Confident | 72.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 177.8 | -68.9 | 158.9 | 0 | 0 | 0 | 110.4 | A874 S875 A882 L996 L1003 P1119 P1120 F1306 | A874-I878 WeakPolarHBondContact O-CB 3.46Å; A874-I878 WeakPolarHBondContact O-CD1 3.31Å; A874-I878 WeakPolarHBondContact O-CG1 3.38Å; A874-I878 PolarHBondContact O-N 2.99Å; S875-I878 PolarHBondContact O-N 3.36Å; I878-A882 PolarHBondContact O-N 3.13Å; I878-A882 VanDerWaalsContact O-N 3.15Å; I878-L996 WeakPolarHBondContact O-CD1 3.48Å; I878-L1003 HydrophobicContact CG1-CB 4.29Å; I878-L1003 HydrophobicContact CG1-CD2 3.8Å; I878-L1003 HydrophobicContact CG1-CG 4.09Å; I878-P1119 HydrophobicContact CD1-CB 4.3Å; I878-P1120 HydrophobicContact CB-CG 4.48Å; I878-P1120 HydrophobicContact CG2-CG 4.15Å; I878-F1306 HydrophobicContact CG2-CE1 3.95Å; I878-F1306 HydrophobicContact CG2-CZ 3.57Å |
| 879 | V | 84.1 | Confident | 70.2 | Confident | 3.75 Ų | 3.75 | 64.2 Ų | 64.2 | 2% | 0.023 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.6 | -34.8 | -178.8 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | S875 E877 R881 A882 K883 P1120 I1175 V1301 | S875-V879 WeakPolarHBondContact O-CB 3.29Å; S875-V879 VanDerWaalsContact O-CG2 3.32Å; S875-V879 WeakPolarHBondContact O-CG2 3.18Å; S875-V879 PolarHBondContact O-N 3.29Å; S875-V879 VanDerWaalsContact O-N 3.11Å; E877-V879 VanDerWaalsContact C-N 3.35Å; E877-V879 PolarHBondContact O-N 3.14Å; V879-R881 PolarHBondContact O-N 3.02Å; V879-A882 VanDerWaalsContact O-CB 3.23Å; V879-A882 WeakPolarHBondContact O-CB 3.33Å; V879-A882 PolarHBondContact O-N 2.99Å; V879-K883 HydrophobicContact CG1-CD 4.42Å; V879-K883 WeakPolarHBondContact O-CG 3.37Å; V879-K883 PolarHBondContact O-N 3.19Å; V879-P1120 HydrophobicContact CG2-CG 3.79Å; V879-I1175 HydrophobicContact CB-CD1 4.29Å; V879-I1175 HydrophobicContact CG2-CD1 4.1Å; V879-I1175 HydrophobicContact CG2-CG1 4.26Å; V879-I1175 HydrophobicContact CG2-CG2 4.43Å; V879-V1301 HydrophobicContact CG2-CG2 3.87Å |
| 880 | G | 80 | Confident | 67.5 | Low | 21.25 Ų | 21.25 | 66.8 Ų | 66.8 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F876 E877 A882 K883 Y884 | F876-G880 WeakPolarHBondContact O-CA 3.36Å; F876-G880 PolarHBondContact O-N 3.13Å; E877-G880 PolarHBondContact O-N 3.21Å; G880-A882 VanDerWaalsContact C-N 3.32Å; G880-A882 PolarHBondContact O-N 3.14Å; G880-K883 WeakPolarHBondContact O-CB 3.49Å; G880-K883 PolarHBondContact O-N 3.38Å; G880-Y884 VanDerWaalsContact O-CD2 3.24Å; G880-Y884 WeakPolarHBondContact O-CD2 3.34Å; G880-Y884 PolarHBondContact O-N 3.1Å |
| 881 | R | 75.9 | Confident | 64.9 | Low | 86.5 Ų | 86.5 | 70.2 Ų | 70.2 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.1 | -25.1 | 174.3 | -74.5 | 176.7 | 173.3 | -179.2 | 3.7 | 112.8 | E877 V879 K883 | E877-R881 VanDerWaalsContact CD-CZ 3.49Å; E877-R881 VanDerWaalsContact CD-NE 3.34Å; E877-R881 VanDerWaalsContact CD-NH2 3.3Å; E877-R881 HydrophobicContact CG-CG 4.31Å; E877-R881 VanDerWaalsContact CG-NE 3.35Å; E877-R881 VanDerWaalsContact O-CB 3.31Å; E877-R881 WeakPolarHBondContact O-CB 3.33Å; E877-R881 VanDerWaalsContact O-CG 3.28Å; E877-R881 WeakPolarHBondContact O-CG 3.26Å; E877-R881 PolarHBondContact O-N 3.18Å; E877-R881 VanDerWaalsContact O-N 3.09Å; E877-R881 IonicContact OE1-CZ 3.02Å; E877-R881 IonicContact OE1-NE 3.47Å; E877-R881 PolarHBondContact OE1-NE 2.98Å; E877-R881 IonicContact OE1-NH1 2.82Å; E877-R881 PolarHBondContact OE1-NH1 3.09Å; E877-R881 IonicContact OE1-NH2 2.95Å; E877-R881 PolarHBondContact OE1-NH2 3.2Å; E877-R881 IonicContact OE2-CZ 3.95Å; E877-R881 IonicContact OE2-NH1 3.57Å; E877-R881 IonicContact OE2-NH2 3.61Å; V879-R881 PolarHBondContact O-N 3.02Å; R881-K883 VanDerWaalsContact C-N 3.31Å; R881-K883 PolarHBondContact O-N 3.2Å |
| 882 | A | 67.2 | Low | 62.2 | Low | 10.25 Ų | 10.25 | 76.4 Ų | 76.4 | 9% | 0.085 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.6 | -6.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I878 V879 G880 Y884 L996 P1302 L1305 F1306 | I878-A882 PolarHBondContact O-N 3.13Å; I878-A882 VanDerWaalsContact O-N 3.15Å; V879-A882 VanDerWaalsContact O-CB 3.23Å; V879-A882 WeakPolarHBondContact O-CB 3.33Å; V879-A882 PolarHBondContact O-N 2.99Å; G880-A882 VanDerWaalsContact C-N 3.32Å; G880-A882 PolarHBondContact O-N 3.14Å; A882-Y884 PolarHBondContact O-N 2.95Å; A882-L996 HydrophobicContact CB-CD1 3.91Å; A882-P1302 HydrophobicContact CB-CG 4.13Å; A882-L1305 HydrophobicContact CB-CD1 3.77Å; A882-F1306 HydrophobicContact CB-CE2 4.25Å |
| 883 | K | 61.8 | Low | 59.6 | Low | 106 Ų | 106 | 81.4 Ų | 81.4 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -85.8 | -30.9 | 179.2 | -71.1 | 175.6 | -179.6 | 177.5 | 0 | 112.1 | V879 G880 R881 Q885 S886 K995 | V879-K883 HydrophobicContact CG1-CD 4.42Å; V879-K883 WeakPolarHBondContact O-CG 3.37Å; V879-K883 PolarHBondContact O-N 3.19Å; G880-K883 WeakPolarHBondContact O-CB 3.49Å; G880-K883 PolarHBondContact O-N 3.38Å; R881-K883 VanDerWaalsContact C-N 3.31Å; R881-K883 PolarHBondContact O-N 3.2Å; K883-Q885 VanDerWaalsContact C-N 3.31Å; K883-Q885 PolarHBondContact O-N 3.01Å; K883-S886 WeakPolarHBondContact O-CB 3.34Å; K883-S886 PolarHBondContact O-N 3.03Å; K883-S886 VanDerWaalsContact O-N 3.15Å; K883-S886 PolarHBondContact O-OG 3.12Å; K883-K995 PolarHBondContact N-O 2.9Å; K883-K995 PolarHBondContact O-N 3.4Å |
| 884 | Y | 51.7 | Low | 57.1 | Low | 156 Ų | 156 | 82.9 Ų | 82.9 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.6 | -13 | 178.7 | -69.2 | -77.9 | 0 | 0 | 0 | 112.8 | G880 A882 S886 S887 I994 | G880-Y884 VanDerWaalsContact O-CD2 3.24Å; G880-Y884 WeakPolarHBondContact O-CD2 3.34Å; G880-Y884 PolarHBondContact O-N 3.1Å; A882-Y884 PolarHBondContact O-N 2.95Å; Y884-S886 PolarHBondContact O-N 3.24Å; Y884-S886 VanDerWaalsContact O-N 3.11Å; Y884-S887 PolarHBondContact O-N 3.17Å; Y884-S887 VanDerWaalsContact O-N 3.14Å; Y884-S887 PolarHBondContact O-OG 3.03Å; Y884-I994 HydrophobicContact CD1-CD1 3.76Å; Y884-I994 HydrophobicContact CD1-CG1 3.94Å; Y884-I994 HydrophobicContact CE1-CD1 3.83Å; Y884-I994 HydrophobicContact CE1-CG1 4.46Å |
| 885 | Q | 42.7 | Very low | 54.6 | Low | 76.75 Ų | 76.75 | 89.3 Ų | 89.3 | 36% | 0.359 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 9.4 | 176 | -63 | -171.4 | -88.4 | 0 | 0 | 113 | K883 S887 S993 K995 | K883-Q885 VanDerWaalsContact C-N 3.31Å; K883-Q885 PolarHBondContact O-N 3.01Å; Q885-S887 VanDerWaalsContact C-N 3.3Å; Q885-S887 PolarHBondContact O-N 3.18Å; Q885-S993 WeakPolarHBondContact CB-O 3.43Å; Q885-S993 WeakPolarHBondContact CG-O 3.28Å; Q885-S993 PolarHBondContact N-O 3.33Å; Q885-S993 WeakPolarHBondContact O-CB 3.42Å; Q885-K995 PolarHBondContact NE2-O 3.42Å; Q885-K995 PolarHBondContact OE1-O 3.16Å |
| 886 | S | 37.6 | Very low | 51.9 | Low | 91 Ų | 91 | 92.9 Ų | 92.9 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.1 | 169 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | K883 Y884 E888 | K883-S886 WeakPolarHBondContact O-CB 3.34Å; K883-S886 PolarHBondContact O-N 3.03Å; K883-S886 VanDerWaalsContact O-N 3.15Å; K883-S886 PolarHBondContact O-OG 3.12Å; Y884-S886 PolarHBondContact O-N 3.24Å; Y884-S886 VanDerWaalsContact O-N 3.11Å; S886-E888 PolarHBondContact O-N 3.48Å |
| 887 | S | 36.5 | Very low | 49.2 | Very low | 89.5 Ų | 89.5 | 97.8 Ų | 97.8 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -100.7 | -5.2 | -172.3 | 17.1 | 0 | 0 | 0 | 0 | 115 | Y884 Q885 | Y884-S887 PolarHBondContact O-N 3.17Å; Y884-S887 VanDerWaalsContact O-N 3.14Å; Y884-S887 PolarHBondContact O-OG 3.03Å; Q885-S887 VanDerWaalsContact C-N 3.3Å; Q885-S887 PolarHBondContact O-N 3.18Å |
| 888 | E | 35.7 | Very low | 46.8 | Very low | 159.5 Ų | 159.5 | 102.4 Ų | 102.4 | 75% | 0.745 | 56% | 0.56 | S | S | * | * | trans | -101 | 14.5 | -168.4 | -66.7 | -176.3 | 143 | 0 | 0 | 114.3 | S886 N890 | S886-E888 PolarHBondContact O-N 3.48Å; E888-N890 VanDerWaalsContact C-N 3.3Å; E888-N890 PolarHBondContact O-N 3.26Å | ||
| 889 | T | 35 | Very low | 44.1 | Very low | 98.5 Ų | 98.5 | 106.7 Ų | 106.7 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 40.5 | -179.2 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 890 | N | 30.5 | Very low | 41.7 | Very low | 136.25 Ų | 136.25 | 117.1 Ų | 117.1 | 73% | 0.729 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -148.4 | 57.3 | 175.1 | -91.3 | -30.6 | 0 | 0 | 0 | 114.7 | E888 | E888-N890 VanDerWaalsContact C-N 3.3Å; E888-N890 PolarHBondContact O-N 3.26Å |
| 891 | T | 32.2 | Very low | 39.3 | Very low | 134.5 Ų | 134.5 | 122.9 Ų | 122.9 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | trans | -172.2 | 127.9 | 169.2 | 32.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 892 | T | 31.4 | Very low | 37.3 | Very low | 129.75 Ų | 129.75 | 124 Ų | 124 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | trans | -130.8 | 111.4 | 154.7 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 893 | N | 32.2 | Very low | 35.5 | Very low | 152.5 Ų | 152.5 | 130 Ų | 130 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | trans | -156.2 | 93.8 | 160.5 | -96.2 | -19.6 | 0 | 0 | 0 | 111.1 | ||||
| 894 | H | 32.7 | Very low | 34 | Very low | 162.25 Ų | 162.25 | 131.8 Ų | 131.8 | 75% | 0.751 | 72% | 0.717 | S | S | * | * | trans | 166.1 | 123.1 | 167.8 | -95.8 | -72.7 | 0 | 0 | 0 | 111.6 | P930 | H894-P930 WeakPolarHBondContact NE2-CB 3.38Å; H894-P930 WeakPolarHBondContact NE2-CG 3.35Å; H894-P930 PolarHBondContact NE2-O 3.48Å | ||
| 895 | V | 34 | Very low | 33.1 | Very low | 137.25 Ų | 137.25 | 129.1 Ų | 129.1 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | -146.9 | 125.6 | 84.9 | 178 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 896 | A | 31.5 | Very low | 32.6 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | trans | -135.2 | 151.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 897 | N | 30.3 | Very low | 32.2 | Very low | 157.25 Ų | 157.25 | 139.3 Ų | 139.3 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | 64.4 | 101 | 162.6 | -54.6 | -25.2 | 0 | 0 | 0 | 118.1 | ||||
| 898 | I | 34.3 | Very low | 31.8 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | -138.3 | 137 | 119.3 | -76.8 | 168.5 | 0 | 0 | 0 | 109 | |||||
| 899 | S | 29.3 | Very low | 31.5 | Very low | 91.25 Ų | 91.25 | 139.5 Ų | 139.5 | 64% | 0.638 | 75% | 0.752 | S | S | * | * | trans | 164.6 | 135.2 | 158.6 | 94.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 900 | R | 32.1 | Very low | 31.4 | Very low | 222.75 Ų | 222.75 | 141.7 Ų | 141.7 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | 128.4 | 128.1 | 154.9 | -72.8 | 160.3 | -169.8 | 176.4 | 3.2 | 110.6 | ||||
| 901 | N | 31.1 | Very low | 31.4 | Very low | 142.5 Ų | 142.5 | 142.7 Ų | 142.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | cis | 138.8 | 158 | 35.9 | -96.8 | 15.3 | 0 | 0 | 0 | 111.3 | ||||
| 902 | T | 33 | Very low | 31.2 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | 6.3 | 138.3 | 151.5 | 44.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 903 | D | 29.8 | Very low | 31.3 | Very low | 134.5 Ų | 134.5 | 142.8 Ų | 142.8 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | 126.8 | 139.4 | 101.6 | -80.5 | -1.6 | 0 | 0 | 0 | 117.9 | |||||
| 904 | N | 30.4 | Very low | 31.1 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 45.2 | 127 | 147.7 | -66.2 | -38.3 | 0 | 0 | 0 | 117.7 | ||||
| 905 | S | 31.9 | Very low | 31.1 | Very low | 98.5 Ų | 98.5 | 139.5 Ų | 139.5 | 69% | 0.689 | 76% | 0.76 | S | S | * | * | 171.4 | 152.8 | 80.4 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 906 | H | 32.6 | Very low | 30.9 | Very low | 172.25 Ų | 172.25 | 137.2 Ų | 137.2 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 54 | 124 | 155.8 | -66.6 | -56.1 | 0 | 0 | 0 | 121.7 | ||||
| 907 | R | 29 | Very low | 30.8 | Very low | 209.75 Ų | 209.75 | 140.3 Ų | 140.3 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | 91.8 | 115.2 | 106.1 | -126.2 | -170.4 | -178.7 | -155.4 | 0.9 | 116.9 | |||||
| 908 | T | 29.3 | Very low | 30.8 | Very low | 107.75 Ų | 107.75 | 142.8 Ų | 142.8 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | 75.7 | 135.8 | 128 | 43.7 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 909 | N | 29.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | 140.6 | 153.1 | 126.9 | -87.3 | -3.5 | 0 | 0 | 0 | 116.5 | |||||
| 910 | L | 31.8 | Very low | 30.5 | Very low | 144.5 Ų | 144.5 | 143.6 Ų | 143.6 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 65.9 | 142.7 | 170.8 | -85.9 | 79.6 | 0 | 0 | 0 | 114.9 | ||||
| 911 | Q | 30.6 | Very low | 30.4 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | 133.9 | 129.9 | 20.3 | -127.8 | 168.4 | -11.9 | 0 | 0 | 113 | ||||
| 912 | N | 27.8 | Very low | 30.3 | Very low | 150.75 Ų | 150.75 | 137.9 Ų | 137.9 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | 114.1 | 150.3 | 155.6 | -83.2 | 1.3 | 0 | 0 | 0 | 115.6 | ||||
| 913 | P | 33.9 | Very low | 30.1 | Very low | 114.75 Ų | 114.75 | 144.7 Ų | 144.7 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | -117.4 | 158 | -178.1 | 37.4 | -26.5 | 0 | 0 | 0 | 114.3 | ||||
| 914 | C | 27.1 | Very low | 30.1 | Very low | 125.5 Ų | 125.5 | 141.6 Ų | 141.6 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | 140.2 | 165.6 | 161.4 | -77.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 915 | P | 32.8 | Very low | 30.2 | Very low | 121.25 Ų | 121.25 | 143.6 Ų | 143.6 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | -119.4 | 161.4 | -121.6 | 40.2 | -29.5 | 0 | 0 | 0 | 115.3 | N917 | P915-N917 PolarHBondContact O-N 3.29Š| |||
| 916 | A | 31.6 | Very low | 30 | Very low | 87 Ų | 87 | 146.4 Ų | 146.4 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -146.6 | 106.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y918 | A916-Y918 HydrophobicContact CB-CD2 3.94Å; A916-Y918 HydrophobicContact CB-CE2 4Å; A916-Y918 PolarHBondContact O-N 3.04Å | ||
| 917 | N | 27.8 | Very low | 29.7 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -5.7 | 114.9 | 133.6 | -95.1 | -15.9 | 0 | 0 | 0 | 113.5 | P915 Q919 | P915-N917 PolarHBondContact O-N 3.29Å; N917-Q919 PolarHBondContact O-N 2.91Å | ||
| 918 | Y | 30 | Very low | 29.7 | Very low | 210.25 Ų | 210.25 | 142.1 Ų | 142.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -123.3 | 100.6 | 152.4 | -93 | -77.4 | 0 | 0 | 0 | 109.5 | A916 S920 | A916-Y918 HydrophobicContact CB-CD2 3.94Å; A916-Y918 HydrophobicContact CB-CE2 4Å; A916-Y918 PolarHBondContact O-N 3.04Å; Y918-S920 PolarHBondContact O-N 2.83Å | ||
| 919 | Q | 27.5 | Very low | 29.6 | Very low | 174.75 Ų | 174.75 | 143 Ų | 143 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 134.9 | 147.2 | -73.4 | -174.3 | -9.4 | 0 | 0 | 110.9 | N917 | N917-Q919 PolarHBondContact O-N 2.91Š| ||
| 920 | S | 31.4 | Very low | 29.7 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -169.2 | 126.3 | 147.9 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | Y918 | Y918-S920 PolarHBondContact O-N 2.83Š| ||
| 921 | N | 30 | Very low | 29.4 | Very low | 150.75 Ų | 150.75 | 140.2 Ų | 140.2 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | 70.4 | 120.9 | 121 | -79.7 | -22.6 | 0 | 0 | 0 | 119.2 | |||||
| 922 | S | 28.1 | Very low | 29.4 | Very low | 95.25 Ų | 95.25 | 138 Ų | 138 | 67% | 0.666 | 78% | 0.776 | S | S | * | * | 45.1 | 125.7 | 110.7 | 61.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 923 | R | 29.8 | Very low | 29.4 | Very low | 253.5 Ų | 253.5 | 136.2 Ų | 136.2 | 96% | 0.957 | 77% | 0.771 | S | S | * | * | trans | 128.2 | 136.3 | 152.5 | -78 | 162.4 | 178.3 | -173.5 | -0.2 | 111.3 | ||||
| 924 | G | 28.3 | Very low | 29.2 | Very low | 69.25 Ų | 69.25 | 137.3 Ų | 137.3 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | cis | 121.3 | 115.6 | 32.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 925 | Q | 32.6 | Very low | 29.2 | Very low | 186.75 Ų | 186.75 | 135.5 Ų | 135.5 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | 138.4 | 141.7 | 147.7 | -68.3 | -175.9 | 18.3 | 0 | 0 | 114.9 | ||||
| 926 | Q | 28 | Very low | 29 | Very low | 156.75 Ų | 156.75 | 135.1 Ų | 135.1 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -6.2 | 140 | 144.6 | -62 | -177.6 | 13.3 | 0 | 0 | 115.9 | ||||
| 927 | K | 26 | Very low | 28.8 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 84.2 | 133 | 149.3 | -74.6 | 160.5 | -179.4 | 167.6 | 0 | 115.5 | ||||
| 928 | S | 29.9 | Very low | 28.7 | Very low | 108.5 Ų | 108.5 | 139.3 Ų | 139.3 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | 172.7 | 139.8 | 72.9 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | P930 | S928-P930 WeakPolarHBondContact O-CD 3.31Š| |||
| 929 | V | 28.1 | Very low | 28.6 | Very low | 126.5 Ų | 126.5 | 134.5 Ų | 134.5 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -69.9 | 132.1 | 153.3 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | T931 | V929-T931 HydrophobicContact CG1-CG2 4.4Å; V929-T931 VanDerWaalsContact CG1-N 3.33Å; V929-T931 VanDerWaalsContact CG1-OG1 3.28Å; V929-T931 WeakPolarHBondContact CG1-OG1 3.3Å | ||
| 930 | P | 29.6 | Very low | 28.7 | Very low | 109.5 Ų | 109.5 | 130.9 Ų | 130.9 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -121.2 | 116.6 | 140 | 25.1 | -12.1 | 0 | 0 | 0 | 111.8 | H894 S928 | H894-P930 WeakPolarHBondContact NE2-CB 3.38Å; H894-P930 WeakPolarHBondContact NE2-CG 3.35Å; H894-P930 PolarHBondContact NE2-O 3.48Å; S928-P930 WeakPolarHBondContact O-CD 3.31Å | ||
| 931 | T | 26.9 | Very low | 28.7 | Very low | 122.25 Ų | 122.25 | 133.8 Ų | 133.8 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | trans | -70.9 | 141.9 | 160 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | V929 T933 | V929-T931 HydrophobicContact CG1-CG2 4.4Å; V929-T931 VanDerWaalsContact CG1-N 3.33Å; V929-T931 VanDerWaalsContact CG1-OG1 3.28Å; V929-T931 WeakPolarHBondContact CG1-OG1 3.3Å; T931-T933 PolarHBondContact O-N 3.27Å | ||
| 932 | S | 30.4 | Very low | 28.6 | Very low | 111.75 Ų | 111.75 | 130.2 Ų | 130.2 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -102.1 | 105.6 | 171.7 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | V934 | S932-V934 PolarHBondContact O-N 2.97Š| ||
| 933 | T | 28.2 | Very low | 28.9 | Very low | 113.5 Ų | 113.5 | 133.6 Ų | 133.6 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -82.2 | 132.6 | 174.3 | -26 | 0 | 0 | 0 | 0 | 113.2 | T931 S935 | T931-T933 PolarHBondContact O-N 3.27Å; T933-S935 WeakPolarHBondContact CG2-OG 3.28Å; T933-S935 PolarHBondContact O-N 3.46Å; T933-S935 PolarHBondContact O-OG 3.23Å | ||
| 934 | V | 29.1 | Very low | 29.2 | Very low | 138.25 Ų | 138.25 | 127.6 Ų | 127.6 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -97.7 | 116.1 | 138.6 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | S932 | S932-V934 PolarHBondContact O-N 2.97Š| ||
| 935 | S | 26.9 | Very low | 29.4 | Very low | 87.5 Ų | 87.5 | 128.3 Ų | 128.3 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | 113.9 | 120.7 | 122 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | T933 S937 | T933-S935 WeakPolarHBondContact CG2-OG 3.28Å; T933-S935 PolarHBondContact O-N 3.46Å; T933-S935 PolarHBondContact O-OG 3.23Å; S935-S937 VanDerWaalsContact C-N 3.25Å; S935-S937 PolarHBondContact O-N 3.19Å | |||
| 936 | S | 29.2 | Very low | 29.4 | Very low | 112.5 Ų | 112.5 | 122.9 Ų | 122.9 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | -168.7 | 126.7 | 98.8 | 57 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 937 | S | 27.3 | Very low | 29.6 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -141.8 | 140.5 | 39.5 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | S935 | S935-S937 VanDerWaalsContact C-N 3.25Å; S935-S937 PolarHBondContact O-N 3.19Å | ||
| 938 | W | 26.4 | Very low | 30 | Very low | 223 Ų | 223 | 117.2 Ų | 117.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | -140.8 | 133.4 | 90.3 | -76.6 | -20.8 | 0 | 0 | 0 | 113.5 | K1608 | W938-K1608 HydrophobicContact CH2-CB 3.83Å; W938-K1608 HydrophobicContact CH2-CD 3.37Å; W938-K1608 VanDerWaalsContact CH2-CE 3.47Å; W938-K1608 HydrophobicContact CH2-CG 3.42Å; W938-K1608 VanDerWaalsContact CH2-CG 3.42Å; W938-K1608 HydrophobicContact CZ2-CD 4.01Å; W938-K1608 HydrophobicContact CZ2-CG 3.83Å; W938-K1608 HydrophobicContact CZ3-CD 3.87Å; W938-K1608 HydrophobicContact CZ3-CG 4.39Å | |||
| 939 | S | 27.3 | Very low | 30.1 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 1.3 | 144.8 | 158.3 | -41.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 940 | S | 29.8 | Very low | 30.4 | Very low | 98.75 Ų | 98.75 | 118.4 Ų | 118.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | 130.8 | 131.4 | 108.9 | -34.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 941 | N | 30.3 | Very low | 30.8 | Very low | 161.25 Ų | 161.25 | 118 Ų | 118 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | 67.4 | 124.6 | 143.2 | -56 | -11.4 | 0 | 0 | 0 | 120.4 | ||||
| 942 | G | 29.3 | Very low | 31.2 | Very low | 74.75 Ų | 74.75 | 118 Ų | 118 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | 161.8 | 99.1 | 159 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 943 | I | 34.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 115.8 Ų | 115.8 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -156.4 | 132.5 | 138.8 | -79 | 166.6 | 0 | 0 | 0 | 107.7 | ||||
| 944 | P | 36.4 | Very low | 31.7 | Very low | 126.25 Ų | 126.25 | 117.8 Ų | 117.8 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -122.7 | 161 | 138.2 | 37 | -25.7 | 0 | 0 | 0 | 116.3 | ||||
| 945 | G | 32.5 | Very low | 31.9 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | 130.3 | 124.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 946 | G | 32.2 | Very low | 32.2 | Very low | 74.25 Ų | 74.25 | 114.8 Ų | 114.8 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 140.1 | 105.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 947 | V | 32.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 113.3 Ų | 113.3 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | 20.4 | 133.1 | 130.9 | -174.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 948 | G | 32.7 | Very low | 32.7 | Very low | 66.25 Ų | 66.25 | 113.5 Ų | 113.5 | 68% | 0.683 | 81% | 0.805 | S | S | * | * | trans | 146.7 | 94.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 949 | N | 32.9 | Very low | 33.1 | Very low | 153.75 Ų | 153.75 | 108.2 Ų | 108.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 42.6 | 129.4 | 139 | -71.5 | -0.4 | 0 | 0 | 0 | 119.3 | ||||
| 950 | S | 35.4 | Very low | 33.6 | Very low | 105.5 Ų | 105.5 | 107.9 Ų | 107.9 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 79 | 149.7 | 115.2 | 56.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 951 | S | 37.6 | Very low | 33.8 | Very low | 102.25 Ų | 102.25 | 110.6 Ų | 110.6 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | cis | 167.3 | 165.4 | -0.4 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 952 | S | 35.3 | Very low | 34.4 | Very low | 120.75 Ų | 120.75 | 107.7 Ų | 107.7 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | 79.8 | 148.5 | 164.5 | 60.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 953 | G | 34.4 | Very low | 34.5 | Very low | 67.25 Ų | 67.25 | 115 Ų | 115 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | cis | 145.2 | 141.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 954 | V | 34.9 | Very low | 34.6 | Very low | 155.5 Ų | 155.5 | 117.5 Ų | 117.5 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | 64.3 | 129.2 | 140.3 | -172.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 955 | G | 33.2 | Very low | 34.4 | Very low | 73.75 Ų | 73.75 | 118.5 Ų | 118.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | 137.5 | 124.1 | 63.2 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 956 | G | 33.3 | Very low | 34.7 | Very low | 89 Ų | 89 | 119.6 Ų | 119.6 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | 92.9 | 150.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 957 | G | 32.3 | Very low | 34.8 | Very low | 79.25 Ų | 79.25 | 126.4 Ų | 126.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | 146.3 | 149.1 | 79.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 958 | A | 33.2 | Very low | 34.8 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 124.3 | 141.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 959 | S | 34.8 | Very low | 34.8 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | 81.5 | 135.1 | 121.7 | 135.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 960 | S | 37.7 | Very low | 34.8 | Very low | 103.5 Ų | 103.5 | 131.8 Ų | 131.8 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | 138.7 | 137.5 | 122.2 | 54.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 961 | N | 34.8 | Very low | 34.6 | Very low | 154.5 Ų | 154.5 | 131.9 Ų | 131.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 52.4 | 160.1 | 144 | -86.1 | -32.2 | 0 | 0 | 0 | 118.8 | ||||
| 962 | P | 43.3 | Very low | 34.4 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | -141.2 | -167.4 | -92.6 | 39.5 | -18.9 | 0 | 0 | 0 | 115.7 | |||||
| 963 | R | 31.7 | Very low | 34.2 | Very low | 226.25 Ų | 226.25 | 141.7 Ų | 141.7 | 85% | 0.854 | 81% | 0.812 | S | S | * | * | trans | 103 | 135.1 | 150.1 | -75.1 | 173.6 | 170.1 | -174.9 | -2.3 | 118.2 | ||||
| 964 | R | 35.6 | Very low | 33.9 | Very low | 221 Ų | 221 | 145.3 Ų | 145.3 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | 132.1 | 140.9 | 96.5 | -106 | 179.6 | 178 | -176.6 | -0.2 | 116.1 | |||||
| 965 | N | 33.1 | Very low | 33.7 | Very low | 147.25 Ų | 147.25 | 141.5 Ų | 141.5 | 79% | 0.787 | 81% | 0.813 | S | S | * | * | trans | 42.6 | 142.1 | 158.1 | -57.8 | 2.7 | 0 | 0 | 0 | 120.1 | ||||
| 966 | S | 37 | Very low | 33.5 | Very low | 107.25 Ų | 107.25 | 142.9 Ų | 142.9 | 75% | 0.75 | 82% | 0.817 | S | S | * | * | 132.3 | 134.3 | 114.4 | -162.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 967 | R | 34.6 | Very low | 33.2 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | 111.6 | 145.7 | 132.4 | -87 | 177.2 | 179.3 | 168.6 | -0.7 | 116.9 | ||||
| 968 | N | 32.9 | Very low | 33.1 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 89.4 | 136.7 | 134 | -70.2 | -2.8 | 0 | 0 | 0 | 118.1 | ||||
| 969 | G | 33.9 | Very low | 32.9 | Very low | 79.75 Ų | 79.75 | 148.7 Ų | 148.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 169.8 | 94.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 970 | R | 31.7 | Very low | 32.8 | Very low | 251.5 Ų | 251.5 | 149.6 Ų | 149.6 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -48 | 137.8 | 178.2 | -73.6 | 171.5 | 166.6 | 170.2 | -5.5 | 115.3 | ||||
| 971 | S | 31.7 | Very low | 32.4 | Very low | 107.25 Ų | 107.25 | 152.1 Ų | 152.1 | 75% | 0.75 | 82% | 0.818 | S | S | * | * | 104.7 | 130.5 | 108.6 | -170 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 972 | R | 33.2 | Very low | 32.3 | Very low | 238.25 Ų | 238.25 | 151.1 Ų | 151.1 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | 145.8 | 128.1 | 152 | -84.7 | 175.5 | 177.7 | 176.6 | -1 | 117.2 | ||||
| 973 | K | 31.1 | Very low | 31.9 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 52.6 | 110 | 144 | -151.9 | -178.5 | -178.4 | -179.3 | 0 | 118.2 | ||||
| 974 | T | 28.5 | Very low | 32 | Very low | 141.5 Ų | 141.5 | 149.6 Ų | 149.6 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | 64.1 | 127.3 | 143.6 | 42.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 975 | G | 30.2 | Very low | 31.8 | Very low | 76.5 Ų | 76.5 | 145.8 Ų | 145.8 | 79% | 0.789 | 80% | 0.799 | S | S | * | * | trans | -178.2 | 139.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 976 | A | 29.8 | Very low | 31.9 | Very low | 102.25 Ų | 102.25 | 143 Ų | 143 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -108.1 | 147 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 977 | C | 25.2 | Very low | 31.8 | Very low | 124.5 Ų | 124.5 | 141.9 Ų | 141.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -60.8 | 138.9 | 173.7 | -54.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 978 | S | 30.9 | Very low | 31.8 | Very low | 112.75 Ų | 112.75 | 137 Ų | 137 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | -160.3 | 134.6 | 135.8 | 16.7 | 0 | 0 | 0 | 0 | 111.8 | T980 | S978-T980 PolarHBondContact O-N 2.9Š| ||
| 979 | N | 28.7 | Very low | 31.7 | Very low | 151.25 Ų | 151.25 | 136.8 Ų | 136.8 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | trans | -56.2 | 126.7 | 178.6 | -64.1 | -16.8 | 0 | 0 | 0 | 115.2 | ||||
| 980 | T | 33.3 | Very low | 31.6 | Very low | 128.5 Ų | 128.5 | 141.3 Ų | 141.3 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | -132.9 | 123.4 | 150.6 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | S978 N982 | S978-T980 PolarHBondContact O-N 2.9Å; T980-N982 PolarHBondContact O-N 3.19Å | ||
| 981 | N | 30.3 | Very low | 31.9 | Very low | 156.25 Ų | 156.25 | 132.7 Ų | 132.7 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -70.4 | 121.6 | -173.7 | -62.6 | -27.4 | 0 | 0 | 0 | 112 | ||||
| 982 | N | 31 | Very low | 32.1 | Very low | 133.75 Ų | 133.75 | 132.6 Ų | 132.6 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | trans | -100.7 | 129.4 | 170.9 | -96.7 | -43.4 | 0 | 0 | 0 | 111.1 | T980 R984 | T980-N982 PolarHBondContact O-N 3.19Å; N982-R984 HydrophobicContact CB-CB 4.38Å; N982-R984 PolarHBondContact O-N 3.33Å | ||
| 983 | P | 35.3 | Very low | 32.6 | Very low | 104.5 Ų | 104.5 | 124.2 Ų | 124.2 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 37 | -173.1 | 32.8 | -36.7 | 0 | 0 | 0 | 114.1 | T986 T987 | P983-T986 PolarHBondContact O-OG1 3.1Å; P983-T987 PolarHBondContact O-OG1 3.08Å; P983-T987 VanDerWaalsContact O-OG1 3.12Å |
| 984 | R | 33.5 | Very low | 33.8 | Very low | 192 Ų | 192 | 118.6 Ų | 118.6 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -103.9 | -27.1 | -175.8 | -160.2 | 168.1 | 179.3 | 157.8 | 1.6 | 114.2 | N982 T986 T987 E988 | N982-R984 HydrophobicContact CB-CB 4.38Å; N982-R984 PolarHBondContact O-N 3.33Å; R984-T986 PolarHBondContact O-N 3.14Å; R984-T987 PolarHBondContact O-N 3.12Å; R984-T987 PolarHBondContact O-OG1 3.08Å; R984-T987 VanDerWaalsContact O-OG1 3.07Å; R984-E988 HydrophobicContact CG-CG 4.44Å; R984-E988 WeakPolarHBondContact CG-OE1 3.39Å; R984-E988 IonicContact CZ-OE1 3.96Å; R984-E988 IonicContact NE-OE1 2.7Å; R984-E988 PolarHBondContact NE-OE1 2.8Å; R984-E988 IonicContact NH2-OE1 2.95Å; R984-E988 PolarHBondContact NH2-OE1 3.38Å; R984-E988 WeakPolarHBondContact O-CG 3.45Å; R984-E988 PolarHBondContact O-N 2.92Å |
| 985 | E | 33 | Very low | 35.5 | Very low | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.2 | -18 | 178.1 | -64.8 | -172.7 | 170.4 | 0 | 0 | 113.9 | E988 K989 | E985-E988 PolarHBondContact O-N 3.3Å; E985-K989 WeakPolarHBondContact O-CD 3.27Å; E985-K989 VanDerWaalsContact O-CG 3.27Å; E985-K989 WeakPolarHBondContact O-CG 3.38Å; E985-K989 PolarHBondContact O-N 3.3Å; E985-K989 IonicContact OE2-NZ 3.74Å; E985-K989 PolarHBondContact OE2-NZ 3.33Å |
| 986 | T | 34.7 | Very low | 37.3 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.6 | -30 | 178.3 | 40.8 | 0 | 0 | 0 | 0 | 112.5 | P983 R984 K989 Y990 | P983-T986 PolarHBondContact O-OG1 3.1Å; R984-T986 PolarHBondContact O-N 3.14Å; T986-K989 PolarHBondContact O-N 3.17Å; T986-Y990 WeakPolarHBondContact O-CD2 3.44Å; T986-Y990 PolarHBondContact O-N 3.44Å; T986-Y990 VanDerWaalsContact O-N 3.12Å |
| 987 | T | 35.2 | Very low | 39.2 | Very low | 83.5 Ų | 83.5 | 114.7 Ų | 114.7 | 51% | 0.512 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.5 | -37.7 | 175.8 | 14.2 | 0 | 0 | 0 | 0 | 112.3 | P983 R984 K989 Y990 T991 | P983-T987 PolarHBondContact O-OG1 3.08Å; P983-T987 VanDerWaalsContact O-OG1 3.12Å; R984-T987 PolarHBondContact O-N 3.12Å; R984-T987 PolarHBondContact O-OG1 3.08Å; R984-T987 VanDerWaalsContact O-OG1 3.07Å; T987-K989 VanDerWaalsContact C-N 3.28Å; T987-K989 PolarHBondContact O-N 2.84Å; T987-K989 VanDerWaalsContact O-N 3.15Å; T987-Y990 PolarHBondContact O-N 3.13Å; T987-T991 WeakPolarHBondContact O-CB 3.21Å; T987-T991 WeakPolarHBondContact O-CG2 3.37Å; T987-T991 PolarHBondContact O-N 3.16Å; T987-T991 PolarHBondContact O-OG1 3.18Å |
| 988 | E | 32.9 | Very low | 41.5 | Very low | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.4 | -22.4 | 178.8 | -69.5 | 178.7 | 175.6 | 0 | 0 | 113.1 | R984 E985 Y990 T991 N992 | R984-E988 HydrophobicContact CG-CG 4.44Å; R984-E988 WeakPolarHBondContact CG-OE1 3.39Å; R984-E988 IonicContact CZ-OE1 3.96Å; R984-E988 IonicContact NE-OE1 2.7Å; R984-E988 PolarHBondContact NE-OE1 2.8Å; R984-E988 IonicContact NH2-OE1 2.95Å; R984-E988 PolarHBondContact NH2-OE1 3.38Å; R984-E988 WeakPolarHBondContact O-CG 3.45Å; R984-E988 PolarHBondContact O-N 2.92Å; E985-E988 PolarHBondContact O-N 3.3Å; E988-Y990 VanDerWaalsContact C-N 3.28Å; E988-Y990 PolarHBondContact O-N 3.09Å; E988-T991 VanDerWaalsContact CA-OG1 3.29Å; E988-T991 WeakPolarHBondContact CA-OG1 3.41Å; E988-T991 PolarHBondContact O-N 3.22Å; E988-T991 PolarHBondContact O-OG1 2.99Å; E988-T991 VanDerWaalsContact O-OG1 3.08Å; E988-N992 PolarHBondContact O-N 3.1Å; E988-N992 PolarHBondContact O-ND2 2.78Å |
| 989 | K | 31.4 | Very low | 43.4 | Very low | 152.5 Ų | 152.5 | 111.7 Ų | 111.7 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.6 | -30.1 | 172.1 | -73.3 | 170.7 | -176.6 | 165.9 | 0 | 113.1 | E985 T986 T987 T991 N992 | E985-K989 WeakPolarHBondContact O-CD 3.27Å; E985-K989 VanDerWaalsContact O-CG 3.27Å; E985-K989 WeakPolarHBondContact O-CG 3.38Å; E985-K989 PolarHBondContact O-N 3.3Å; E985-K989 IonicContact OE2-NZ 3.74Å; E985-K989 PolarHBondContact OE2-NZ 3.33Å; T986-K989 PolarHBondContact O-N 3.17Å; T987-K989 VanDerWaalsContact C-N 3.28Å; T987-K989 PolarHBondContact O-N 2.84Å; T987-K989 VanDerWaalsContact O-N 3.15Å; K989-T991 VanDerWaalsContact C-N 3.34Å; K989-N992 PolarHBondContact O-N 3.2Å |
| 990 | Y | 32.7 | Very low | 45.7 | Very low | 174.5 Ų | 174.5 | 104.5 Ų | 104.5 | 68% | 0.684 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -85.6 | -15.6 | 174.9 | -86.8 | -80.3 | 0 | 0 | 0 | 114.2 | T986 T987 E988 N992 S993 | T986-Y990 WeakPolarHBondContact O-CD2 3.44Å; T986-Y990 PolarHBondContact O-N 3.44Å; T986-Y990 VanDerWaalsContact O-N 3.12Å; T987-Y990 PolarHBondContact O-N 3.13Å; E988-Y990 VanDerWaalsContact C-N 3.28Å; E988-Y990 PolarHBondContact O-N 3.09Å; Y990-N992 VanDerWaalsContact C-N 3.26Å; Y990-S993 PolarHBondContact O-OG 3.27Å |
| 991 | T | 36.1 | Very low | 48.1 | Very low | 71.5 Ų | 71.5 | 102.8 Ų | 102.8 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -83.4 | -22.8 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | T987 E988 K989 S993 R1304 | T987-T991 WeakPolarHBondContact O-CB 3.21Å; T987-T991 WeakPolarHBondContact O-CG2 3.37Å; T987-T991 PolarHBondContact O-N 3.16Å; T987-T991 PolarHBondContact O-OG1 3.18Å; E988-T991 VanDerWaalsContact CA-OG1 3.29Å; E988-T991 WeakPolarHBondContact CA-OG1 3.41Å; E988-T991 PolarHBondContact O-N 3.22Å; E988-T991 PolarHBondContact O-OG1 2.99Å; E988-T991 VanDerWaalsContact O-OG1 3.08Å; K989-T991 VanDerWaalsContact C-N 3.34Å; T991-S993 VanDerWaalsContact C-N 3.31Å; T991-S993 PolarHBondContact O-N 2.97Å; T991-R1304 VanDerWaalsContact CA-NH1 3.33Å; T991-R1304 PolarHBondContact O-NH1 3.24Å; T991-R1304 VanDerWaalsContact O-NH1 3.16Å; T991-R1304 PolarHBondContact O-NH2 3.46Å |
| 992 | N | 36 | Very low | 50.6 | Low | 105.25 Ų | 105.25 | 101.7 Ų | 101.7 | 56% | 0.563 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 14.9 | -178.3 | -79.2 | -47.6 | 0 | 0 | 0 | 114.7 | E988 K989 Y990 | E988-N992 PolarHBondContact O-N 3.1Å; E988-N992 PolarHBondContact O-ND2 2.78Å; K989-N992 PolarHBondContact O-N 3.2Å; Y990-N992 VanDerWaalsContact C-N 3.26Å |
| 993 | S | 44 | Very low | 53.3 | Low | 60.5 Ų | 60.5 | 96.7 Ų | 96.7 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.3 | -179.2 | 52.9 | 0 | 0 | 0 | 0 | 116.6 | Q885 Y990 T991 K995 | Q885-S993 WeakPolarHBondContact CB-O 3.43Å; Q885-S993 WeakPolarHBondContact CG-O 3.28Å; Q885-S993 PolarHBondContact N-O 3.33Å; Q885-S993 WeakPolarHBondContact O-CB 3.42Å; Y990-S993 PolarHBondContact O-OG 3.27Å; T991-S993 VanDerWaalsContact C-N 3.31Å; T991-S993 PolarHBondContact O-N 2.97Å; S993-K995 VanDerWaalsContact C-N 3.33Å; S993-K995 PolarHBondContact O-N 3.23Å |
| 994 | I | 57.5 | Low | 55.7 | Low | 75.75 Ų | 75.75 | 91.8 Ų | 91.8 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | trans | -90.6 | 94.8 | 170.5 | -53.5 | 178.9 | 0 | 0 | 0 | 109.4 | Y884 L1305 | Y884-I994 HydrophobicContact CD1-CD1 3.76Å; Y884-I994 HydrophobicContact CD1-CG1 3.94Å; Y884-I994 HydrophobicContact CE1-CD1 3.83Å; Y884-I994 HydrophobicContact CE1-CG1 4.46Å; I994-L1305 HydrophobicContact CG2-CD1 4.06Å; I994-L1305 HydrophobicContact CG2-CD2 4.33Å; I994-L1305 HydrophobicContact CG2-CG 4.25Å | ||
| 995 | K | 63.1 | Low | 58.3 | Low | 142.25 Ų | 142.25 | 84.2 Ų | 84.2 | 62% | 0.618 | 42% | 0.418 | S | S | * | . | trans | -124.9 | 123.6 | 173.1 | -67.7 | 179.8 | -178.8 | 176.1 | 0 | 109.2 | K883 Q885 S993 H997 | K883-K995 PolarHBondContact N-O 2.9Å; K883-K995 PolarHBondContact O-N 3.4Å; Q885-K995 PolarHBondContact NE2-O 3.42Å; Q885-K995 PolarHBondContact OE1-O 3.16Å; S993-K995 VanDerWaalsContact C-N 3.33Å; S993-K995 PolarHBondContact O-N 3.23Å; K995-H997 PolarHBondContact O-N 3.15Å | ||
| 996 | L | 67.7 | Low | 60.9 | Low | 11.25 Ų | 11.25 | 80.4 Ų | 80.4 | 6% | 0.059 | 40% | 0.403 | C | S | . | . | trans | -57 | 127.4 | 174 | -172.2 | 66.5 | 0 | 0 | 0 | 109.8 | I878 A882 K1001 C1122 L1305 F1306 | I878-L996 WeakPolarHBondContact O-CD1 3.48Å; A882-L996 HydrophobicContact CB-CD1 3.91Å; L996-K1001 HydrophobicContact CB-CG 4.09Å; L996-K1001 HydrophobicContact CD2-CB 4.09Å; L996-K1001 HydrophobicContact CD2-CG 3.98Å; L996-K1001 HydrophobicContact CG-CB 4.5Å; L996-K1001 HydrophobicContact CG-CG 4.17Å; L996-K1001 VanDerWaalsContact O-CE 3.31Å; L996-K1001 WeakPolarHBondContact O-CE 3.34Å; L996-C1122 HydrophobicContact CD2-CB 4.4Å; L996-L1305 HydrophobicContact CB-CD1 4.24Å; L996-L1305 HydrophobicContact CB-CD2 4.14Å; L996-L1305 HydrophobicContact CD1-CD1 4.43Å; L996-F1306 HydrophobicContact CD1-CZ 4.22Å; L996-F1306 HydrophobicContact CD2-CE1 4.32Å; L996-F1306 HydrophobicContact CD2-CZ 3.92Å | ||
| 997 | H | 71.3 | Confident | 63.5 | Low | 83.75 Ų | 83.75 | 78.8 Ų | 78.8 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | trans | -51.5 | 142.7 | 179.5 | -168.1 | -111.8 | 0 | 0 | 0 | 111.8 | K995 L999 G1000 K1001 | K995-H997 PolarHBondContact O-N 3.15Å; H997-L999 VanDerWaalsContact C-N 3.27Å; H997-L999 PolarHBondContact ND1-N 3.42Å; H997-L999 PolarHBondContact O-N 3.38Å; H997-L999 VanDerWaalsContact O-N 3.14Å; H997-G1000 CarbonylContact O-C 3.59Å; H997-G1000 WeakPolarHBondContact O-CA 3.33Å; H997-G1000 PolarHBondContact O-N 3.06Å; H997-K1001 PolarHBondContact O-N 3.14Å | ||
| 998 | P | 72 | Confident | 66.1 | Low | 68.25 Ų | 68.25 | 74.8 Ų | 74.8 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.3 | -38 | -178.4 | -29.7 | 37 | 0 | 0 | 0 | 114.2 | L698 G1000 K1001 K1002 | L698-P998 HydrophobicContact CD2-CB 3.97Å; P998-G1000 VanDerWaalsContact C-N 3.32Å; P998-G1000 PolarHBondContact O-N 3.36Å; P998-K1001 PolarHBondContact O-N 3.26Å; P998-K1002 PolarHBondContact O-N 3.16Å |
| 999 | L | 71.7 | Confident | 68.8 | Low | 105.5 Ų | 105.5 | 74 Ų | 74 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.1 | -36.7 | 173.3 | -61.4 | 175.9 | 0 | 0 | 0 | 112.7 | H997 K1001 K1002 L1003 | H997-L999 VanDerWaalsContact C-N 3.27Å; H997-L999 PolarHBondContact ND1-N 3.42Å; H997-L999 PolarHBondContact O-N 3.38Å; H997-L999 VanDerWaalsContact O-N 3.14Å; L999-K1001 VanDerWaalsContact C-N 3.35Å; L999-K1002 PolarHBondContact O-N 2.95Å; L999-L1003 VanDerWaalsContact O-CB 3.25Å; L999-L1003 WeakPolarHBondContact O-CB 3.43Å; L999-L1003 PolarHBondContact O-N 3.03Å |
| 1000 | G | 77.6 | Confident | 71.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | H997 P998 L1003 S1004 | H997-G1000 CarbonylContact O-C 3.59Å; H997-G1000 WeakPolarHBondContact O-CA 3.33Å; H997-G1000 PolarHBondContact O-N 3.06Å; P998-G1000 VanDerWaalsContact C-N 3.32Å; P998-G1000 PolarHBondContact O-N 3.36Å; G1000-L1003 PolarHBondContact O-N 3.39Å; G1000-S1004 VanDerWaalsContact O-CB 3.29Å; G1000-S1004 WeakPolarHBondContact O-CB 3.32Å; G1000-S1004 PolarHBondContact O-N 3.1Å |
| 1001 | K | 82.2 | Confident | 74.4 | Confident | 93 Ų | 93 | 62 Ų | 62 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 171.7 | -83.8 | -174.1 | 176.4 | -171.7 | 0 | 111.7 | L996 H997 P998 L999 L1003 S1004 I1005 C1122 | L996-K1001 HydrophobicContact CB-CG 4.09Å; L996-K1001 HydrophobicContact CD2-CB 4.09Å; L996-K1001 HydrophobicContact CD2-CG 3.98Å; L996-K1001 HydrophobicContact CG-CB 4.5Å; L996-K1001 HydrophobicContact CG-CG 4.17Å; L996-K1001 VanDerWaalsContact O-CE 3.31Å; L996-K1001 WeakPolarHBondContact O-CE 3.34Å; H997-K1001 PolarHBondContact O-N 3.14Å; P998-K1001 PolarHBondContact O-N 3.26Å; L999-K1001 VanDerWaalsContact C-N 3.35Å; K1001-L1003 PolarHBondContact O-N 3.44Å; K1001-S1004 PolarHBondContact O-N 3.21Å; K1001-I1005 HydrophobicContact CG-CD1 4.31Å; K1001-I1005 WeakPolarHBondContact O-CD1 3.4Å; K1001-I1005 VanDerWaalsContact O-CG1 3.28Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.23Å; K1001-I1005 PolarHBondContact O-N 3.36Å; K1001-I1005 VanDerWaalsContact O-N 3.12Å; K1001-C1122 WeakPolarHBondContact CG-SG 3.3Å |
| 1002 | K | 84.7 | Confident | 77.1 | Confident | 133.2 Ų | 133.2 | 59.3 Ų | 59.3 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.5 | -50.1 | 176.3 | -177.8 | 176.3 | 177.3 | -175.6 | 0 | 111.1 | P998 L999 S1004 I1005 D1006 | P998-K1002 PolarHBondContact O-N 3.16Å; L999-K1002 PolarHBondContact O-N 2.95Å; K1002-S1004 VanDerWaalsContact C-N 3.34Å; K1002-S1004 PolarHBondContact O-N 3.1Å; K1002-I1005 PolarHBondContact O-N 3.17Å; K1002-I1005 VanDerWaalsContact O-N 3.16Å; K1002-D1006 WeakPolarHBondContact CE-OD2 3.4Å; K1002-D1006 VanDerWaalsContact CG-OD2 3.3Å; K1002-D1006 WeakPolarHBondContact CG-OD2 3.42Å; K1002-D1006 WeakPolarHBondContact O-CB 3.39Å; K1002-D1006 VanDerWaalsContact O-CG 3.3Å; K1002-D1006 PolarHBondContact O-N 3.17Å |
| 1003 | L | 86 | Confident | 79.7 | Confident | 30.2 Ų | 30.2 | 59.1 Ų | 59.1 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.1 | -48 | 178.1 | -171.1 | 74.3 | 0 | 0 | 0 | 112 | E877 I878 L999 G1000 K1001 I1005 D1006 Y1007 | E877-L1003 HydrophobicContact CB-CD2 4.23Å; E877-L1003 VanDerWaalsContact CD-CD2 3.41Å; E877-L1003 HydrophobicContact CG-CD2 3.79Å; E877-L1003 VanDerWaalsContact OE2-CD2 3.26Å; E877-L1003 WeakPolarHBondContact OE2-CD2 3.37Å; I878-L1003 HydrophobicContact CG1-CB 4.29Å; I878-L1003 HydrophobicContact CG1-CD2 3.8Å; I878-L1003 HydrophobicContact CG1-CG 4.09Å; L999-L1003 VanDerWaalsContact O-CB 3.25Å; L999-L1003 WeakPolarHBondContact O-CB 3.43Å; L999-L1003 PolarHBondContact O-N 3.03Å; G1000-L1003 PolarHBondContact O-N 3.39Å; K1001-L1003 PolarHBondContact O-N 3.44Å; L1003-I1005 PolarHBondContact O-N 2.98Å; L1003-D1006 PolarHBondContact O-N 3.16Å; L1003-Y1007 HydrophobicContact CD1-CD2 3.72Å; L1003-Y1007 HydrophobicContact CD1-CE2 3.55Å; L1003-Y1007 VanDerWaalsContact CD1-CE2 3.49Å; L1003-Y1007 HydrophobicContact CG-CD2 4.05Å; L1003-Y1007 HydrophobicContact CG-CE2 4.32Å; L1003-Y1007 WeakPolarHBondContact O-CB 3.35Å; L1003-Y1007 WeakPolarHBondContact O-CD2 3.4Å; L1003-Y1007 PolarHBondContact O-N 3.16Å |
| 1004 | S | 86.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 112 | G1000 K1001 K1002 D1006 T1008 P1120 C1121 C1122 | G1000-S1004 VanDerWaalsContact O-CB 3.29Å; G1000-S1004 WeakPolarHBondContact O-CB 3.32Å; G1000-S1004 PolarHBondContact O-N 3.1Å; K1001-S1004 PolarHBondContact O-N 3.21Å; K1002-S1004 VanDerWaalsContact C-N 3.34Å; K1002-S1004 PolarHBondContact O-N 3.1Å; S1004-D1006 PolarHBondContact O-N 3.26Å; S1004-T1008 VanDerWaalsContact O-CB 3.3Å; S1004-T1008 WeakPolarHBondContact O-CB 3.44Å; S1004-T1008 PolarHBondContact O-N 3.18Å; S1004-T1008 VanDerWaalsContact O-N 3.09Å; S1004-T1008 PolarHBondContact O-OG1 3.23Å; S1004-P1120 PolarHBondContact OG-O 3.19Å; S1004-C1121 WeakPolarHBondContact OG-CA 3.4Å; S1004-C1122 PolarHBondContact OG-N 2.97Å; S1004-C1122 VanDerWaalsContact OG-N 3.13Å |
| 1005 | I | 87.9 | Confident | 83.7 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 178.9 | -68.7 | 164.6 | 0 | 0 | 0 | 111.6 | P581 K1001 K1002 L1003 T1008 K1009 L1126 | P581-I1005 HydrophobicContact CG-CD1 4.25Å; K1001-I1005 HydrophobicContact CG-CD1 4.31Å; K1001-I1005 WeakPolarHBondContact O-CD1 3.4Å; K1001-I1005 VanDerWaalsContact O-CG1 3.28Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.23Å; K1001-I1005 PolarHBondContact O-N 3.36Å; K1001-I1005 VanDerWaalsContact O-N 3.12Å; K1002-I1005 PolarHBondContact O-N 3.17Å; K1002-I1005 VanDerWaalsContact O-N 3.16Å; L1003-I1005 PolarHBondContact O-N 2.98Å; I1005-T1008 PolarHBondContact O-N 3.33Å; I1005-K1009 HydrophobicContact CG2-CD 4.3Å; I1005-K1009 VanDerWaalsContact CG2-CE 3.46Å; I1005-K1009 VanDerWaalsContact O-CG 3.28Å; I1005-K1009 WeakPolarHBondContact O-CG 3.31Å; I1005-K1009 PolarHBondContact O-N 3.09Å; I1005-K1009 VanDerWaalsContact O-N 3.08Å; I1005-L1126 HydrophobicContact CG2-CD1 4.14Å |
| 1006 | D | 87.5 | Confident | 85 | Confident | 62.2 Ų | 62.2 | 48 Ų | 48 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73.2 | -38.8 | -173 | -67.6 | -21.8 | 0 | 0 | 0 | 111.8 | K1002 L1003 S1004 T1008 K1009 K1010 | K1002-D1006 WeakPolarHBondContact CE-OD2 3.4Å; K1002-D1006 VanDerWaalsContact CG-OD2 3.3Å; K1002-D1006 WeakPolarHBondContact CG-OD2 3.42Å; K1002-D1006 WeakPolarHBondContact O-CB 3.39Å; K1002-D1006 VanDerWaalsContact O-CG 3.3Å; K1002-D1006 PolarHBondContact O-N 3.17Å; L1003-D1006 PolarHBondContact O-N 3.16Å; S1004-D1006 PolarHBondContact O-N 3.26Å; D1006-T1008 PolarHBondContact O-N 3.08Å; D1006-K1009 WeakPolarHBondContact O-CB 3.45Å; D1006-K1009 PolarHBondContact O-N 3.24Å; D1006-K1009 IonicContact OD1-NZ 3.11Å; D1006-K1009 PolarHBondContact OD1-NZ 3.29Å; D1006-K1010 PolarHBondContact O-N 3.23Å; D1006-K1010 VanDerWaalsContact O-N 3.1Å |
| 1007 | Y | 89.3 | Confident | 86.2 | Confident | 55.8 Ų | 55.8 | 48.2 Ų | 48.2 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -36.4 | 170.8 | -87.9 | -86.3 | 0 | 0 | 0 | 113 | E870 A874 L1003 K1009 K1010 A1011 | E870-Y1007 HydrophobicContact CG-CE1 3.88Å; E870-Y1007 WeakPolarHBondContact OE1-CE1 3.17Å; E870-Y1007 PolarHBondContact OE1-OH 3.44Å; E870-Y1007 VanDerWaalsContact OE1-OH 3.09Å; A874-Y1007 HydrophobicContact CB-CD1 3.54Å; A874-Y1007 VanDerWaalsContact CB-CD1 3.47Å; A874-Y1007 HydrophobicContact CB-CD2 3.85Å; A874-Y1007 HydrophobicContact CB-CE1 3.49Å; A874-Y1007 VanDerWaalsContact CB-CE1 3.44Å; A874-Y1007 HydrophobicContact CB-CE2 3.8Å; A874-Y1007 HydrophobicContact CB-CG 3.72Å; L1003-Y1007 HydrophobicContact CD1-CD2 3.72Å; L1003-Y1007 HydrophobicContact CD1-CE2 3.55Å; L1003-Y1007 VanDerWaalsContact CD1-CE2 3.49Å; L1003-Y1007 HydrophobicContact CG-CD2 4.05Å; L1003-Y1007 HydrophobicContact CG-CE2 4.32Å; L1003-Y1007 WeakPolarHBondContact O-CB 3.35Å; L1003-Y1007 WeakPolarHBondContact O-CD2 3.4Å; L1003-Y1007 PolarHBondContact O-N 3.16Å; Y1007-K1009 VanDerWaalsContact C-N 3.33Å; Y1007-K1009 PolarHBondContact O-N 3.01Å; Y1007-K1010 HydrophobicContact CE1-CD 4.36Å; Y1007-K1010 WeakPolarHBondContact O-CB 3.33Å; Y1007-K1010 PolarHBondContact O-N 3.07Å; Y1007-K1010 VanDerWaalsContact O-N 3.13Å; Y1007-A1011 WeakPolarHBondContact O-CB 3.18Å; Y1007-A1011 PolarHBondContact O-N 3.23Å |
| 1008 | T | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | S1004 I1005 D1006 K1010 A1011 I1012 C1121 L1126 L1130 | S1004-T1008 VanDerWaalsContact O-CB 3.3Å; S1004-T1008 WeakPolarHBondContact O-CB 3.44Å; S1004-T1008 PolarHBondContact O-N 3.18Å; S1004-T1008 VanDerWaalsContact O-N 3.09Å; S1004-T1008 PolarHBondContact O-OG1 3.23Å; I1005-T1008 PolarHBondContact O-N 3.33Å; D1006-T1008 PolarHBondContact O-N 3.08Å; T1008-K1010 VanDerWaalsContact C-N 3.35Å; T1008-K1010 PolarHBondContact O-N 2.86Å; T1008-A1011 PolarHBondContact O-N 3.15Å; T1008-I1012 HydrophobicContact CG2-CD1 3.87Å; T1008-I1012 HydrophobicContact CG2-CG1 4.37Å; T1008-I1012 WeakPolarHBondContact O-CB 3.43Å; T1008-I1012 VanDerWaalsContact O-CG1 3.28Å; T1008-I1012 WeakPolarHBondContact O-CG1 3.31Å; T1008-I1012 PolarHBondContact O-N 3.17Å; T1008-C1121 VanDerWaalsContact CB-SG 3.58Å; T1008-C1121 HydrophobicContact CG2-CB 3.85Å; T1008-C1121 VanDerWaalsContact OG1-CB 3.28Å; T1008-C1121 WeakPolarHBondContact OG1-CB 3.32Å; T1008-C1121 PolarHBondContact OG1-SG 3.25Å; T1008-L1126 HydrophobicContact CG2-CB 3.81Å; T1008-L1126 HydrophobicContact CG2-CD1 4.47Å; T1008-L1130 HydrophobicContact CG2-CD2 4.03Å |
| 1009 | K | 90.1 | Very high | 88.3 | Confident | 95.4 Ų | 95.4 | 44.1 Ų | 44.1 | 42% | 0.415 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 171.7 | -70.1 | 168.2 | -170.8 | 160.6 | 0 | 111.7 | I1005 D1006 Y1007 A1011 I1012 R1013 L1126 | I1005-K1009 HydrophobicContact CG2-CD 4.3Å; I1005-K1009 VanDerWaalsContact CG2-CE 3.46Å; I1005-K1009 VanDerWaalsContact O-CG 3.28Å; I1005-K1009 WeakPolarHBondContact O-CG 3.31Å; I1005-K1009 PolarHBondContact O-N 3.09Å; I1005-K1009 VanDerWaalsContact O-N 3.08Å; D1006-K1009 WeakPolarHBondContact O-CB 3.45Å; D1006-K1009 PolarHBondContact O-N 3.24Å; D1006-K1009 IonicContact OD1-NZ 3.11Å; D1006-K1009 PolarHBondContact OD1-NZ 3.29Å; Y1007-K1009 VanDerWaalsContact C-N 3.33Å; Y1007-K1009 PolarHBondContact O-N 3.01Å; K1009-A1011 VanDerWaalsContact C-N 3.32Å; K1009-A1011 PolarHBondContact O-N 3.09Å; K1009-I1012 PolarHBondContact O-N 2.91Å; K1009-R1013 WeakPolarHBondContact O-CG 3.4Å; K1009-R1013 PolarHBondContact O-N 3.06Å; K1009-L1126 HydrophobicContact CG-CD1 4.32Å |
| 1010 | K | 89.9 | Confident | 89.3 | Confident | 74.8 Ų | 74.8 | 40.3 Ų | 40.3 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.6 | -154.8 | -175.3 | 179.8 | -173.6 | 0 | 111.1 | F867 E870 D1006 Y1007 T1008 R1013 W1014 | F867-K1010 HydrophobicContact CD2-CD 4.48Å; F867-K1010 HydrophobicContact CE2-CB 4.48Å; F867-K1010 HydrophobicContact CE2-CD 3.77Å; F867-K1010 HydrophobicContact CE2-CG 3.81Å; F867-K1010 HydrophobicContact CZ-CG 4.36Å; E870-K1010 VanDerWaalsContact CD-NZ 3.34Å; E870-K1010 IonicContact OE1-NZ 3.02Å; E870-K1010 PolarHBondContact OE1-NZ 3.2Å; E870-K1010 IonicContact OE2-NZ 3.31Å; E870-K1010 PolarHBondContact OE2-NZ 3.27Å; D1006-K1010 PolarHBondContact O-N 3.23Å; D1006-K1010 VanDerWaalsContact O-N 3.1Å; Y1007-K1010 HydrophobicContact CE1-CD 4.36Å; Y1007-K1010 WeakPolarHBondContact O-CB 3.33Å; Y1007-K1010 PolarHBondContact O-N 3.07Å; Y1007-K1010 VanDerWaalsContact O-N 3.13Å; T1008-K1010 VanDerWaalsContact C-N 3.35Å; T1008-K1010 PolarHBondContact O-N 2.86Å; K1010-R1013 PolarHBondContact O-N 2.97Å; K1010-W1014 PolarHBondContact O-N 3.08Å; K1010-W1014 VanDerWaalsContact O-N 3.09Å |
| 1011 | A | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1007 T1008 K1009 R1013 W1014 L1015 F1116 P1119 L1130 | Y1007-A1011 WeakPolarHBondContact O-CB 3.18Å; Y1007-A1011 PolarHBondContact O-N 3.23Å; T1008-A1011 PolarHBondContact O-N 3.15Å; K1009-A1011 VanDerWaalsContact C-N 3.32Å; K1009-A1011 PolarHBondContact O-N 3.09Å; A1011-R1013 VanDerWaalsContact C-N 3.34Å; A1011-R1013 PolarHBondContact O-N 3.07Å; A1011-W1014 PolarHBondContact O-N 3.17Å; A1011-L1015 WeakPolarHBondContact O-CB 3.22Å; A1011-L1015 WeakPolarHBondContact O-CG 3.37Å; A1011-L1015 PolarHBondContact O-N 3.22Å; A1011-F1116 HydrophobicContact CB-CE1 3.75Å; A1011-F1116 HydrophobicContact CB-CZ 3.67Å; A1011-P1119 HydrophobicContact CB-CG 4.16Å; A1011-L1130 HydrophobicContact CB-CD2 4.43Å |
| 1012 | I | 91.8 | Very high | 90.6 | Very high | 15.4 Ų | 15.4 | 35.9 Ų | 35.9 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.7 | -72.6 | 168.1 | 0 | 0 | 0 | 110.9 | T1008 K1009 D1016 L1126 K1129 L1130 I1133 | T1008-I1012 HydrophobicContact CG2-CD1 3.87Å; T1008-I1012 HydrophobicContact CG2-CG1 4.37Å; T1008-I1012 WeakPolarHBondContact O-CB 3.43Å; T1008-I1012 VanDerWaalsContact O-CG1 3.28Å; T1008-I1012 WeakPolarHBondContact O-CG1 3.31Å; T1008-I1012 PolarHBondContact O-N 3.17Å; K1009-I1012 PolarHBondContact O-N 2.91Å; I1012-D1016 VanDerWaalsContact O-CB 3.24Å; I1012-D1016 WeakPolarHBondContact O-CB 3.41Å; I1012-D1016 PolarHBondContact O-N 3.09Å; I1012-L1126 HydrophobicContact CD1-CB 4Å; I1012-L1126 HydrophobicContact CD1-CD2 4.02Å; I1012-K1129 HydrophobicContact CD1-CB 4.42Å; I1012-K1129 HydrophobicContact CD1-CG 4.44Å; I1012-K1129 HydrophobicContact CG2-CD 4.19Å; I1012-K1129 HydrophobicContact CG2-CG 4.39Å; I1012-L1130 HydrophobicContact CD1-CB 4.34Å; I1012-L1130 HydrophobicContact CG1-CB 4.06Å; I1012-L1130 HydrophobicContact CG1-CD1 4.18Å; I1012-L1130 HydrophobicContact CG1-CD2 4.27Å; I1012-L1130 HydrophobicContact CG1-CG 4.41Å; I1012-I1133 HydrophobicContact CG2-CD1 4.1Å |
| 1013 | R | 90.5 | Very high | 90.8 | Very high | 99.8 Ų | 99.8 | 33.2 Ų | 33.2 | 38% | 0.377 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.1 | -50.6 | 175.6 | -73.1 | 171.7 | 124.8 | 169.4 | 8.4 | 111.3 | E827 E831 K1009 K1010 A1011 L1015 D1016 Q1017 | E827-R1013 VanDerWaalsContact CD-NH1 3.32Å; E827-R1013 IonicContact OE1-CZ 3.32Å; E827-R1013 VanDerWaalsContact OE1-CZ 3.26Å; E827-R1013 IonicContact OE1-NH1 3.4Å; E827-R1013 PolarHBondContact OE1-NH1 3.09Å; E827-R1013 IonicContact OE1-NH2 3.21Å; E827-R1013 PolarHBondContact OE1-NH2 3.29Å; E827-R1013 IonicContact OE2-CZ 3.21Å; E827-R1013 IonicContact OE2-NH1 3.01Å; E827-R1013 PolarHBondContact OE2-NH1 3.21Å; E827-R1013 IonicContact OE2-NH2 2.89Å; E831-R1013 WeakPolarHBondContact OE1-CD 3.48Å; E831-R1013 IonicContact OE1-CZ 3.33Å; E831-R1013 IonicContact OE1-NE 2.97Å; E831-R1013 PolarHBondContact OE1-NE 3.34Å; E831-R1013 IonicContact OE1-NH1 2.94Å; E831-R1013 PolarHBondContact OE1-NH1 3.08Å; E831-R1013 IonicContact OE1-NH2 3.34Å; E831-R1013 PolarHBondContact OE1-NH2 3.03Å; E831-R1013 VanDerWaalsContact OE1-NH2 3.15Å; E831-R1013 IonicContact OE2-CZ 3.65Å; E831-R1013 IonicContact OE2-NH1 3.61Å; E831-R1013 IonicContact OE2-NH2 3.39Å; E831-R1013 PolarHBondContact OE2-NH2 3.24Å; K1009-R1013 WeakPolarHBondContact O-CG 3.4Å; K1009-R1013 PolarHBondContact O-N 3.06Å; K1010-R1013 PolarHBondContact O-N 2.97Å; A1011-R1013 VanDerWaalsContact C-N 3.34Å; A1011-R1013 PolarHBondContact O-N 3.07Å; R1013-L1015 PolarHBondContact O-N 2.78Å; R1013-D1016 PolarHBondContact O-N 2.98Å; R1013-Q1017 VanDerWaalsContact O-CG 3.25Å; R1013-Q1017 WeakPolarHBondContact O-CG 3.39Å; R1013-Q1017 PolarHBondContact O-N 3.1Å |
| 1014 | W | 91.9 | Very high | 91 | Very high | 13.2 Ų | 13.2 | 32.1 Ų | 32.1 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | -177.8 | -173.8 | 79.7 | 0 | 0 | 0 | 112.7 | F867 K1010 A1011 D1016 Q1017 I1018 F1116 | F867-W1014 HydrophobicContact CD1-CB 4.38Å; F867-W1014 AromaticContact CD1-CD1 3.85Å; F867-W1014 AromaticContact CD1-CD2 3.54Å; F867-W1014 HydrophobicContact CD1-CD2 3.54Å; F867-W1014 AromaticContact CD1-CE2 3.62Å; F867-W1014 AromaticContact CD1-CE3 4Å; F867-W1014 HydrophobicContact CD1-CE3 4.02Å; F867-W1014 AromaticContact CD1-CG 3.71Å; F867-W1014 HydrophobicContact CD1-CG 3.71Å; F867-W1014 HydrophobicContact CD1-CZ2 4.19Å; F867-W1014 AromaticContact CD1-NE1 3.8Å; F867-W1014 HydrophobicContact CE1-CB 3.56Å; F867-W1014 AromaticContact CE1-CD1 3.9Å; F867-W1014 AromaticContact CE1-CD2 3.36Å; F867-W1014 HydrophobicContact CE1-CD2 3.36Å; F867-W1014 AromaticContact CE1-CE2 3.96Å; F867-W1014 AromaticContact CE1-CE3 3.65Å; F867-W1014 HydrophobicContact CE1-CE3 3.65Å; F867-W1014 AromaticContact CE1-CG 3.33Å; F867-W1014 HydrophobicContact CE1-CG 3.33Å; F867-W1014 HydrophobicContact CE1-CZ3 4.46Å; F867-W1014 HydrophobicContact CZ-CB 3.72Å; F867-W1014 HydrophobicContact CZ-CD2 4.35Å; F867-W1014 AromaticContact CZ-CG 3.89Å; F867-W1014 HydrophobicContact CZ-CG 3.95Å; K1010-W1014 PolarHBondContact O-N 3.08Å; K1010-W1014 VanDerWaalsContact O-N 3.09Å; A1011-W1014 PolarHBondContact O-N 3.17Å; W1014-D1016 PolarHBondContact O-N 3.01Å; W1014-Q1017 WeakPolarHBondContact O-CB 3.41Å; W1014-Q1017 PolarHBondContact O-N 3.3Å; W1014-I1018 HydrophobicContact CD2-CD1 3.9Å; W1014-I1018 HydrophobicContact CE3-CD1 3.83Å; W1014-I1018 HydrophobicContact CH2-CD1 3.64Å; W1014-I1018 HydrophobicContact CZ2-CD1 3.7Å; W1014-I1018 HydrophobicContact CZ3-CD1 3.7Å; W1014-I1018 WeakPolarHBondContact O-CG1 3.36Å; W1014-I1018 PolarHBondContact O-N 3.3Å; W1014-I1018 VanDerWaalsContact O-N 3.08Å; W1014-F1116 HydrophobicContact CE3-CD2 4.06Å; W1014-F1116 HydrophobicContact CE3-CE2 4.26Å; W1014-F1116 HydrophobicContact CH2-CD2 4.33Å; W1014-F1116 HydrophobicContact CZ3-CB 4.25Å; W1014-F1116 AromaticContact CZ3-CD2 3.61Å; W1014-F1116 HydrophobicContact CZ3-CD2 3.61Å; W1014-F1116 HydrophobicContact CZ3-CE2 4.25Å; W1014-F1116 HydrophobicContact CZ3-CG 4.04Å |
| 1015 | L | 93.6 | Very high | 91.2 | Very high | 1.4 Ų | 1.4 | 32.1 Ų | 32.1 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.7 | -32 | 177.7 | -66.1 | 169.2 | 0 | 0 | 0 | 112.8 | A1011 R1013 I1018 R1019 A1113 F1116 L1130 I1133 L1137 | A1011-L1015 WeakPolarHBondContact O-CB 3.22Å; A1011-L1015 WeakPolarHBondContact O-CG 3.37Å; A1011-L1015 PolarHBondContact O-N 3.22Å; R1013-L1015 PolarHBondContact O-N 2.78Å; L1015-I1018 PolarHBondContact O-N 3.5Å; L1015-R1019 VanDerWaalsContact O-CB 3.31Å; L1015-R1019 WeakPolarHBondContact O-CB 3.42Å; L1015-R1019 PolarHBondContact O-N 2.92Å; L1015-A1113 HydrophobicContact CD2-CB 3.72Å; L1015-F1116 HydrophobicContact CD1-CD1 4.15Å; L1015-F1116 HydrophobicContact CD1-CE1 4.33Å; L1015-L1130 HydrophobicContact CD1-CD1 3.36Å; L1015-I1133 HydrophobicContact CB-CG2 3.7Å; L1015-L1137 HydrophobicContact CB-CD1 4.33Å; L1015-L1137 HydrophobicContact CD2-CD1 4.01Å |
| 1016 | D | 91.4 | Very high | 91.2 | Very high | 31.8 Ų | 31.8 | 31.6 Ų | 31.6 | 17% | 0.17 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.7 | -35.9 | 173.8 | -160.8 | 30.2 | 0 | 0 | 0 | 111.9 | I1012 R1013 W1014 I1018 R1019 C1020 K1129 I1133 | I1012-D1016 VanDerWaalsContact O-CB 3.24Å; I1012-D1016 WeakPolarHBondContact O-CB 3.41Å; I1012-D1016 PolarHBondContact O-N 3.09Å; R1013-D1016 PolarHBondContact O-N 2.98Å; W1014-D1016 PolarHBondContact O-N 3.01Å; D1016-I1018 VanDerWaalsContact C-N 3.34Å; D1016-I1018 PolarHBondContact O-N 2.9Å; D1016-R1019 WeakPolarHBondContact O-CB 3.43Å; D1016-R1019 PolarHBondContact O-N 3.3Å; D1016-R1019 IonicContact OD1-CZ 3.13Å; D1016-R1019 IonicContact OD1-NE 3.26Å; D1016-R1019 PolarHBondContact OD1-NE 3.12Å; D1016-R1019 IonicContact OD1-NH2 3.4Å; D1016-R1019 PolarHBondContact OD1-NH2 3.23Å; D1016-R1019 IonicContact OD2-NH2 3.23Å; D1016-C1020 WeakPolarHBondContact O-CB 3.34Å; D1016-C1020 PolarHBondContact O-N 3.07Å; D1016-C1020 PolarHBondContact O-SG 3.23Å; D1016-C1020 VanDerWaalsContact O-SG 3.4Å; D1016-K1129 IonicContact OD2-NZ 3.32Å; D1016-K1129 PolarHBondContact OD2-NZ 2.87Å; D1016-I1133 HydrophobicContact CB-CD1 4.34Å |
| 1017 | Q | 92.9 | Very high | 90.9 | Very high | 16.4 Ų | 16.4 | 31 Ų | 31 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 170.7 | -72.2 | 172.6 | -8.1 | 0 | 0 | 110.9 | F834 L860 R1013 W1014 R1019 C1020 I1021 | F834-Q1017 HydrophobicContact CB-CG 4.39Å; F834-Q1017 HydrophobicContact CD1-CG 3.91Å; F834-Q1017 HydrophobicContact CD2-CB 3.91Å; F834-Q1017 HydrophobicContact CD2-CG 3.64Å; F834-Q1017 HydrophobicContact CE1-CG 4.03Å; F834-Q1017 VanDerWaalsContact CE2-CA 3.47Å; F834-Q1017 HydrophobicContact CE2-CB 3.82Å; F834-Q1017 HydrophobicContact CE2-CG 3.78Å; F834-Q1017 HydrophobicContact CG-CB 4.44Å; F834-Q1017 HydrophobicContact CG-CG 3.7Å; F834-Q1017 HydrophobicContact CZ-CB 4.31Å; F834-Q1017 HydrophobicContact CZ-CG 3.97Å; L860-Q1017 HydrophobicContact CD1-CB 4.39Å; R1013-Q1017 VanDerWaalsContact O-CG 3.25Å; R1013-Q1017 WeakPolarHBondContact O-CG 3.39Å; R1013-Q1017 PolarHBondContact O-N 3.1Å; W1014-Q1017 WeakPolarHBondContact O-CB 3.41Å; W1014-Q1017 PolarHBondContact O-N 3.3Å; Q1017-R1019 PolarHBondContact O-N 3.07Å; Q1017-C1020 PolarHBondContact O-N 3.27Å; Q1017-I1021 WeakPolarHBondContact O-CB 3.34Å; Q1017-I1021 WeakPolarHBondContact O-CD1 3.31Å; Q1017-I1021 VanDerWaalsContact O-CG1 3.3Å; Q1017-I1021 WeakPolarHBondContact O-CG1 3.33Å; Q1017-I1021 PolarHBondContact O-N 3.21Å |
| 1018 | I | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.3 | -50.2 | 174 | -71 | 174.5 | 0 | 0 | 0 | 110.7 | L860 W1014 L1015 D1016 C1020 I1021 M1022 L1109 A1113 L1137 | L860-I1018 HydrophobicContact CD1-CG1 4.07Å; W1014-I1018 HydrophobicContact CD2-CD1 3.9Å; W1014-I1018 HydrophobicContact CE3-CD1 3.83Å; W1014-I1018 HydrophobicContact CH2-CD1 3.64Å; W1014-I1018 HydrophobicContact CZ2-CD1 3.7Å; W1014-I1018 HydrophobicContact CZ3-CD1 3.7Å; W1014-I1018 WeakPolarHBondContact O-CG1 3.36Å; W1014-I1018 PolarHBondContact O-N 3.3Å; W1014-I1018 VanDerWaalsContact O-N 3.08Å; L1015-I1018 PolarHBondContact O-N 3.5Å; D1016-I1018 VanDerWaalsContact C-N 3.34Å; D1016-I1018 PolarHBondContact O-N 2.9Å; I1018-C1020 VanDerWaalsContact C-N 3.32Å; I1018-C1020 PolarHBondContact O-N 3.3Å; I1018-I1021 PolarHBondContact O-N 3.13Å; I1018-I1021 VanDerWaalsContact O-N 3.17Å; I1018-M1022 HydrophobicContact CG2-CG 4.07Å; I1018-M1022 HydrophobicContact CG2-SD 3.64Å; I1018-M1022 WeakPolarHBondContact O-CB 3.28Å; I1018-M1022 VanDerWaalsContact O-CG 3.26Å; I1018-M1022 WeakPolarHBondContact O-CG 3.32Å; I1018-M1022 PolarHBondContact O-N 3.26Å; I1018-L1109 HydrophobicContact CG1-CD2 4.37Å; I1018-L1109 HydrophobicContact CG2-CB 4.09Å; I1018-A1113 HydrophobicContact CD1-CB 4.14Å; I1018-A1113 HydrophobicContact CG2-CB 4.31Å; I1018-L1137 HydrophobicContact CG2-CD2 3.96Å |
| 1019 | R | 93.4 | Very high | 89.2 | Confident | 63.2 Ų | 63.2 | 31.7 Ų | 31.7 | 24% | 0.238 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.8 | -45.2 | 179.2 | -174.3 | -179.6 | 71.5 | 117.4 | 1.5 | 112.4 | L1015 D1016 Q1017 E1023 L1137 | L1015-R1019 VanDerWaalsContact O-CB 3.31Å; L1015-R1019 WeakPolarHBondContact O-CB 3.42Å; L1015-R1019 PolarHBondContact O-N 2.92Å; D1016-R1019 WeakPolarHBondContact O-CB 3.43Å; D1016-R1019 PolarHBondContact O-N 3.3Å; D1016-R1019 IonicContact OD1-CZ 3.13Å; D1016-R1019 IonicContact OD1-NE 3.26Å; D1016-R1019 PolarHBondContact OD1-NE 3.12Å; D1016-R1019 IonicContact OD1-NH2 3.4Å; D1016-R1019 PolarHBondContact OD1-NH2 3.23Å; D1016-R1019 IonicContact OD2-NH2 3.23Å; Q1017-R1019 PolarHBondContact O-N 3.07Å; R1019-E1023 VanDerWaalsContact O-CB 3.32Å; R1019-E1023 WeakPolarHBondContact O-CB 3.45Å; R1019-E1023 PolarHBondContact O-N 3.16Å; R1019-E1023 VanDerWaalsContact O-N 3.12Å; R1019-L1137 HydrophobicContact CB-CD2 4.04Å; R1019-L1137 HydrophobicContact CG-CD2 4.45Å |
| 1020 | C | 92 | Very high | 88 | Confident | 26.8 Ų | 26.8 | 31.8 Ų | 31.8 | 18% | 0.181 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71 | -37.4 | 179.5 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | F834 F837 D1016 Q1017 I1018 E1023 C1024 | F834-C1020 HydrophobicContact CE2-CB 3.95Å; F834-C1020 HydrophobicContact CZ-CB 3.79Å; F837-C1020 HydrophobicContact CE1-CB 4.13Å; D1016-C1020 WeakPolarHBondContact O-CB 3.34Å; D1016-C1020 PolarHBondContact O-N 3.07Å; D1016-C1020 PolarHBondContact O-SG 3.23Å; D1016-C1020 VanDerWaalsContact O-SG 3.4Å; Q1017-C1020 PolarHBondContact O-N 3.27Å; I1018-C1020 VanDerWaalsContact C-N 3.32Å; I1018-C1020 PolarHBondContact O-N 3.3Å; C1020-E1023 PolarHBondContact O-N 3.2Å; C1020-C1024 PolarHBondContact O-N 3.04Å |
| 1021 | I | 93.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.3 | -47.5 | 176.6 | -70.3 | 160.4 | 0 | 0 | 0 | 110.3 | F834 F837 A853 L856 A857 L860 Q1017 I1018 E1023 C1024 L1025 L1109 | F834-I1021 HydrophobicContact CD2-CD1 4.35Å; F834-I1021 HydrophobicContact CE2-CD1 4.46Å; F834-I1021 HydrophobicContact CE2-CG1 4.37Å; F837-I1021 HydrophobicContact CD1-CG1 4.37Å; F837-I1021 HydrophobicContact CE1-CG1 3.93Å; F837-I1021 HydrophobicContact CZ-CG1 4.22Å; A853-I1021 HydrophobicContact CB-CG2 4.39Å; L856-I1021 HydrophobicContact CB-CD1 3.61Å; L856-I1021 HydrophobicContact CB-CG1 4.34Å; L856-I1021 HydrophobicContact CD1-CD1 4.39Å; A857-I1021 HydrophobicContact CB-CG2 4.19Å; L860-I1021 HydrophobicContact CD1-CD1 3.42Å; L860-I1021 VanDerWaalsContact CD1-CD1 3.42Å; Q1017-I1021 WeakPolarHBondContact O-CB 3.34Å; Q1017-I1021 WeakPolarHBondContact O-CD1 3.31Å; Q1017-I1021 VanDerWaalsContact O-CG1 3.3Å; Q1017-I1021 WeakPolarHBondContact O-CG1 3.33Å; Q1017-I1021 PolarHBondContact O-N 3.21Å; I1018-I1021 PolarHBondContact O-N 3.13Å; I1018-I1021 VanDerWaalsContact O-N 3.17Å; I1021-E1023 PolarHBondContact O-N 3.1Å; I1021-C1024 PolarHBondContact O-N 3.2Å; I1021-C1024 VanDerWaalsContact O-N 3.15Å; I1021-L1025 HydrophobicContact CG2-CD1 3.72Å; I1021-L1025 HydrophobicContact CG2-CG 4.35Å; I1021-L1025 WeakPolarHBondContact O-CB 3.36Å; I1021-L1025 WeakPolarHBondContact O-CG 3.41Å; I1021-L1025 PolarHBondContact O-N 3.11Å; I1021-L1109 HydrophobicContact CB-CD1 4.46Å; I1021-L1109 HydrophobicContact CG2-CD1 3.71Å |
| 1022 | M | 92.4 | Very high | 84.2 | Confident | 0.6 Ų | 0.6 | 41.7 Ų | 41.7 | 0% | 0.003 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.6 | -41.4 | 173.6 | -71 | 178.5 | 75.2 | 0 | 0 | 111.5 | I1018 S1026 I1106 L1109 L1137 R1140 L1141 | I1018-M1022 HydrophobicContact CG2-CG 4.07Å; I1018-M1022 HydrophobicContact CG2-SD 3.64Å; I1018-M1022 WeakPolarHBondContact O-CB 3.28Å; I1018-M1022 VanDerWaalsContact O-CG 3.26Å; I1018-M1022 WeakPolarHBondContact O-CG 3.32Å; I1018-M1022 PolarHBondContact O-N 3.26Å; M1022-S1026 VanDerWaalsContact O-CB 3.28Å; M1022-S1026 WeakPolarHBondContact O-CB 3.38Å; M1022-S1026 PolarHBondContact O-N 3.03Å; M1022-S1026 PolarHBondContact O-OG 2.97Å; M1022-I1106 HydrophobicContact CB-CG2 3.98Å; M1022-I1106 HydrophobicContact CE-CG2 3.52Å; M1022-I1106 VanDerWaalsContact CE-CG2 3.49Å; M1022-I1106 HydrophobicContact CG-CG2 3.89Å; M1022-L1109 HydrophobicContact CG-CB 4.39Å; M1022-L1109 HydrophobicContact CG-CD1 4.5Å; M1022-L1137 HydrophobicContact CE-CD2 4.48Å; M1022-L1137 HydrophobicContact SD-CD2 3.52Å; M1022-L1137 VanDerWaalsContact SD-CD2 3.53Å; M1022-L1137 WeakPolarHBondContact SD-CD2 3.3Å; M1022-R1140 HydrophobicContact CE-CB 4.03Å; M1022-L1141 HydrophobicContact CE-CD2 4.19Å; M1022-L1141 HydrophobicContact CE-CG 4.1Å |
| 1023 | E | 89.7 | Confident | 82.3 | Confident | 75.2 Ų | 75.2 | 42.1 Ų | 42.1 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.6 | -39.7 | 178.3 | -173 | 166.2 | 143.2 | 0 | 0 | 113 | R1019 C1020 I1021 S1026 N1027 R1140 | R1019-E1023 VanDerWaalsContact O-CB 3.32Å; R1019-E1023 WeakPolarHBondContact O-CB 3.45Å; R1019-E1023 PolarHBondContact O-N 3.16Å; R1019-E1023 VanDerWaalsContact O-N 3.12Å; C1020-E1023 PolarHBondContact O-N 3.2Å; I1021-E1023 PolarHBondContact O-N 3.1Å; E1023-S1026 PolarHBondContact O-N 3.03Å; E1023-N1027 VanDerWaalsContact O-CB 3.26Å; E1023-N1027 WeakPolarHBondContact O-CB 3.36Å; E1023-N1027 PolarHBondContact O-N 2.96Å; E1023-N1027 PolarHBondContact O-ND2 3.3Å; E1023-N1027 VanDerWaalsContact O-ND2 3.13Å; E1023-N1027 PolarHBondContact O-OD1 3.21Å; E1023-R1140 IonicContact OE2-CZ 3.21Å; E1023-R1140 IonicContact OE2-NE 3.35Å; E1023-R1140 IonicContact OE2-NH2 3.26Å; E1023-R1140 PolarHBondContact OE2-NH2 3.23Å |
| 1024 | C | 90.5 | Very high | 80.2 | Confident | 7.4 Ų | 7.4 | 42.5 Ų | 42.5 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | F837 N841 A853 C1020 I1021 S1026 N1027 A1028 | F837-C1024 HydrophobicContact CE2-CB 3.64Å; F837-C1024 HydrophobicContact CZ-CB 3.65Å; N841-C1024 PolarHBondContact OD1-SG 3.49Å; A853-C1024 HydrophobicContact CB-CB 4.38Å; C1020-C1024 PolarHBondContact O-N 3.04Å; I1021-C1024 PolarHBondContact O-N 3.2Å; I1021-C1024 VanDerWaalsContact O-N 3.15Å; C1024-S1026 VanDerWaalsContact C-N 3.29Å; C1024-S1026 PolarHBondContact O-N 2.89Å; C1024-N1027 WeakPolarHBondContact O-CB 3.4Å; C1024-N1027 PolarHBondContact O-N 3.03Å; C1024-N1027 VanDerWaalsContact O-N 3.12Å; C1024-A1028 PolarHBondContact O-N 2.99Å |
| 1025 | L | 91.2 | Very high | 77.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 176 | -65.2 | 167 | 0 | 0 | 0 | 111 | L850 A853 R854 I1021 N1027 H1029 D1102 L1105 I1106 | L850-L1025 HydrophobicContact CD1-CD2 3.87Å; A853-L1025 HydrophobicContact CB-CD2 4.16Å; A853-L1025 HydrophobicContact CB-CG 4.27Å; R854-L1025 HydrophobicContact CG-CD2 3.97Å; I1021-L1025 HydrophobicContact CG2-CD1 3.72Å; I1021-L1025 HydrophobicContact CG2-CG 4.35Å; I1021-L1025 WeakPolarHBondContact O-CB 3.36Å; I1021-L1025 WeakPolarHBondContact O-CG 3.41Å; I1021-L1025 PolarHBondContact O-N 3.11Å; L1025-N1027 VanDerWaalsContact C-N 3.34Å; L1025-N1027 PolarHBondContact O-N 3.12Å; L1025-H1029 PolarHBondContact O-CD2 3.07Å; L1025-D1102 HydrophobicContact CB-CB 4.4Å; L1025-D1102 HydrophobicContact CD2-CB 4.18Å; L1025-D1102 VanDerWaalsContact CD2-OD1 3.27Å; L1025-D1102 WeakPolarHBondContact CD2-OD1 3.43Å; L1025-L1105 HydrophobicContact CD1-CB 4.15Å; L1025-I1106 HydrophobicContact CB-CD1 3.59Å; L1025-I1106 HydrophobicContact CB-CG1 3.5Å; L1025-I1106 VanDerWaalsContact CB-CG1 3.46Å; L1025-I1106 HydrophobicContact CD1-CG1 3.85Å; L1025-I1106 HydrophobicContact CG-CG1 4.33Å |
| 1026 | S | 87.1 | Confident | 74.7 | Confident | 22.4 Ų | 22.4 | 50 Ų | 50 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 175.1 | -99.4 | 0 | 0 | 0 | 0 | 112.8 | M1022 E1023 C1024 A1028 H1029 K1030 | M1022-S1026 VanDerWaalsContact O-CB 3.28Å; M1022-S1026 WeakPolarHBondContact O-CB 3.38Å; M1022-S1026 PolarHBondContact O-N 3.03Å; M1022-S1026 PolarHBondContact O-OG 2.97Å; E1023-S1026 PolarHBondContact O-N 3.03Å; C1024-S1026 VanDerWaalsContact C-N 3.29Å; C1024-S1026 PolarHBondContact O-N 2.89Å; S1026-A1028 VanDerWaalsContact C-N 3.32Å; S1026-A1028 PolarHBondContact O-N 3.17Å; S1026-H1029 CarbonylContact O-C 3.42Å; S1026-H1029 PolarHBondContact O-N 3.22Å; S1026-K1030 VanDerWaalsContact O-CE 3.31Å; S1026-K1030 WeakPolarHBondContact O-CE 3.39Å; S1026-K1030 VanDerWaalsContact O-CG 3.31Å; S1026-K1030 WeakPolarHBondContact O-CG 3.15Å; S1026-K1030 PolarHBondContact O-N 2.98Å |
| 1027 | N | 81 | Confident | 72 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.1 | -31.4 | -177.9 | -77.4 | -20.9 | 0 | 0 | 0 | 112.9 | E1023 C1024 L1025 H1029 K1030 | E1023-N1027 VanDerWaalsContact O-CB 3.26Å; E1023-N1027 WeakPolarHBondContact O-CB 3.36Å; E1023-N1027 PolarHBondContact O-N 2.96Å; E1023-N1027 PolarHBondContact O-ND2 3.3Å; E1023-N1027 VanDerWaalsContact O-ND2 3.13Å; E1023-N1027 PolarHBondContact O-OD1 3.21Å; C1024-N1027 WeakPolarHBondContact O-CB 3.4Å; C1024-N1027 PolarHBondContact O-N 3.03Å; C1024-N1027 VanDerWaalsContact O-N 3.12Å; L1025-N1027 VanDerWaalsContact C-N 3.34Å; L1025-N1027 PolarHBondContact O-N 3.12Å; N1027-H1029 VanDerWaalsContact C-N 3.29Å; N1027-H1029 PolarHBondContact O-N 2.85Å; N1027-K1030 HydrophobicContact CB-CD 4.45Å; N1027-K1030 PolarHBondContact O-N 3.2Å; N1027-K1030 WeakPolarHBondContact OD1-CD 3.34Å; N1027-K1030 WeakPolarHBondContact OD1-CE 3.41Å; N1027-K1030 PolarHBondContact OD1-NZ 3.14Å |
| 1028 | A | 74.2 | Confident | 68.9 | Low | 52.2 Ų | 52.2 | 57.8 Ų | 57.8 | 43% | 0.431 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L850 C1024 S1026 | L850-A1028 HydrophobicContact CD1-CB 4.02Å; L850-A1028 HydrophobicContact CD2-CB 4Å; C1024-A1028 PolarHBondContact O-N 2.99Å; S1026-A1028 VanDerWaalsContact C-N 3.32Å; S1026-A1028 PolarHBondContact O-N 3.17Å |
| 1029 | H | 70.7 | Confident | 65.8 | Low | 19.4 Ų | 19.4 | 63.3 Ų | 63.3 | 9% | 0.09 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 14.5 | -172.2 | -52.5 | -56.8 | 0 | 0 | 0 | 113 | L1025 S1026 N1027 E1031 R1032 I1033 E1099 D1102 | L1025-H1029 PolarHBondContact O-CD2 3.07Å; S1026-H1029 CarbonylContact O-C 3.42Å; S1026-H1029 PolarHBondContact O-N 3.22Å; N1027-H1029 VanDerWaalsContact C-N 3.29Å; N1027-H1029 PolarHBondContact O-N 2.85Å; H1029-E1031 VanDerWaalsContact C-N 3.28Å; H1029-E1031 PolarHBondContact O-N 2.98Å; H1029-E1031 VanDerWaalsContact O-N 3.16Å; H1029-R1032 PolarHBondContact O-N 3.14Å; H1029-I1033 HydrophobicContact CB-CD1 3.75Å; H1029-I1033 HydrophobicContact CB-CG1 4.09Å; H1029-I1033 WeakPolarHBondContact O-CG1 3.22Å; H1029-I1033 PolarHBondContact O-N 3.23Å; H1029-E1099 HydrophobicContact CB-CG 4.16Å; H1029-E1099 IonicContact CG-OE1 3.01Å; H1029-E1099 IonicContact ND1-OE1 3.08Å; H1029-E1099 IonicContact ND1-OE2 2.74Å; H1029-D1102 IonicContact CD2-OD2 3.09Å; H1029-D1102 IonicContact CE1-OD2 3.3Å; H1029-D1102 PolarHBondContact CE1-OD2 3.34Å; H1029-D1102 IonicContact NE2-OD2 3.25Å; H1029-D1102 PolarHBondContact NE2-OD2 3.19Å |
| 1030 | K | 63.7 | Low | 62.8 | Low | 95.8 Ų | 95.8 | 64.8 Ų | 64.8 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.6 | -30.8 | -173.9 | -110.9 | 173.2 | -178.6 | 167 | 0 | 114.3 | S1026 N1027 R1032 F1034 F1047 | S1026-K1030 VanDerWaalsContact O-CE 3.31Å; S1026-K1030 WeakPolarHBondContact O-CE 3.39Å; S1026-K1030 VanDerWaalsContact O-CG 3.31Å; S1026-K1030 WeakPolarHBondContact O-CG 3.15Å; S1026-K1030 PolarHBondContact O-N 2.98Å; N1027-K1030 HydrophobicContact CB-CD 4.45Å; N1027-K1030 PolarHBondContact O-N 3.2Å; N1027-K1030 WeakPolarHBondContact OD1-CD 3.34Å; N1027-K1030 WeakPolarHBondContact OD1-CE 3.41Å; N1027-K1030 PolarHBondContact OD1-NZ 3.14Å; K1030-R1032 VanDerWaalsContact C-N 3.31Å; K1030-R1032 PolarHBondContact O-N 3.03Å; K1030-F1034 HydrophobicContact CB-CD2 4.39Å; K1030-F1034 HydrophobicContact CB-CE2 4.23Å; K1030-F1034 HydrophobicContact CG-CD2 4Å; K1030-F1034 HydrophobicContact CG-CE2 3.85Å; K1030-F1034 HydrophobicContact CG-CZ 4.4Å; K1030-F1034 WeakPolarHBondContact O-CD2 3.29Å; K1030-F1034 PolarHBondContact O-N 2.97Å; K1030-F1047 HydrophobicContact CD-CE2 4.1Å; K1030-F1047 HydrophobicContact CD-CZ 3.72Å; K1030-F1047 HydrophobicContact CG-CE2 4.12Å; K1030-F1047 HydrophobicContact CG-CZ 3.88Å |
| 1031 | E | 53.1 | Low | 59.8 | Low | 170.6 Ų | 170.6 | 68.5 Ų | 68.5 | 80% | 0.797 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.9 | -17.1 | 176.8 | -65.3 | -161.3 | 154.7 | 0 | 0 | 113.2 | K44 H1029 S1035 | K44-E1031 IonicContact NZ-OE1 3.19Å; K44-E1031 PolarHBondContact NZ-OE1 3.12Å; H1029-E1031 VanDerWaalsContact C-N 3.28Å; H1029-E1031 PolarHBondContact O-N 2.98Å; H1029-E1031 VanDerWaalsContact O-N 3.16Å; E1031-S1035 VanDerWaalsContact C-OG 3.25Å; E1031-S1035 VanDerWaalsContact O-CB 3.29Å; E1031-S1035 WeakPolarHBondContact O-CB 3.35Å; E1031-S1035 PolarHBondContact O-N 3.14Å; E1031-S1035 PolarHBondContact O-OG 3.17Å |
| 1032 | R | 49.2 | Very low | 56.6 | Low | 114 Ų | 114 | 76 Ų | 76 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -103.8 | -44 | 175.2 | -77.5 | -167.1 | -70.2 | -109.2 | 1.4 | 113.5 | H1029 K1030 F1034 S1035 I1036 D1096 E1099 | H1029-R1032 PolarHBondContact O-N 3.14Å; K1030-R1032 VanDerWaalsContact C-N 3.31Å; K1030-R1032 PolarHBondContact O-N 3.03Å; R1032-F1034 PolarHBondContact O-N 3.16Å; R1032-F1034 VanDerWaalsContact O-N 3.13Å; R1032-S1035 VanDerWaalsContact CA-OG 3.3Å; R1032-S1035 WeakPolarHBondContact CA-OG 3.34Å; R1032-S1035 PolarHBondContact O-N 2.98Å; R1032-S1035 VanDerWaalsContact O-N 3.17Å; R1032-S1035 PolarHBondContact O-OG 3.02Å; R1032-I1036 WeakPolarHBondContact O-CG1 3.32Å; R1032-I1036 PolarHBondContact O-N 3.25Å; R1032-D1096 IonicContact CZ-OD2 3.66Å; R1032-D1096 IonicContact NH1-OD2 3.71Å; R1032-D1096 IonicContact NH2-OD2 2.74Å; R1032-D1096 PolarHBondContact NH2-OD2 3.41Å; R1032-E1099 WeakPolarHBondContact CB-OE1 3.37Å; R1032-E1099 IonicContact CZ-OE1 3.33Å; R1032-E1099 VanDerWaalsContact CZ-OE1 3.26Å; R1032-E1099 IonicContact CZ-OE2 3.3Å; R1032-E1099 VanDerWaalsContact CZ-OE2 3.23Å; R1032-E1099 VanDerWaalsContact NE-CD 3.3Å; R1032-E1099 IonicContact NE-OE1 2.76Å; R1032-E1099 PolarHBondContact NE-OE1 2.95Å; R1032-E1099 IonicContact NE-OE2 3Å; R1032-E1099 PolarHBondContact NE-OE2 2.92Å; R1032-E1099 IonicContact NH1-OE2 3.38Å; R1032-E1099 IonicContact NH2-OE1 3.58Å; R1032-E1099 PolarHBondContact NH2-OE1 3.13Å; R1032-E1099 IonicContact NH2-OE2 2.93Å; R1032-E1099 PolarHBondContact NH2-OE2 3.28Å |
| 1033 | I | 51.6 | Low | 53.5 | Low | 23.6 Ų | 23.6 | 78.9 Ų | 78.9 | 12% | 0.121 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.5 | -30.6 | 179.2 | -67.6 | 174.1 | 0 | 0 | 0 | 112.1 | H1029 F1046 F1095 I1103 | H1029-I1033 HydrophobicContact CB-CD1 3.75Å; H1029-I1033 HydrophobicContact CB-CG1 4.09Å; H1029-I1033 WeakPolarHBondContact O-CG1 3.22Å; H1029-I1033 PolarHBondContact O-N 3.23Å; I1033-F1046 HydrophobicContact CG2-CE2 4.2Å; I1033-F1046 HydrophobicContact CG2-CZ 3.87Å; I1033-F1046 WeakPolarHBondContact O-CE2 3.49Å; I1033-F1095 HydrophobicContact CD1-CE1 4.19Å; I1033-F1095 HydrophobicContact CG1-CE1 4.13Å; I1033-F1095 HydrophobicContact CG1-CZ 4.18Å; I1033-I1103 HydrophobicContact CD1-CD1 4.43Å; I1033-I1103 HydrophobicContact CD1-CG1 4.32Å; I1033-I1103 HydrophobicContact CG1-CD1 4.45Å |
| 1034 | F | 46.7 | Very low | 50.5 | Low | 107.2 Ų | 107.2 | 82.2 Ų | 82.2 | 47% | 0.47 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 3.2 | -178 | -62.6 | -80.8 | 0 | 0 | 0 | 114.4 | K1030 R1032 F1046 F1047 F1143 | K1030-F1034 HydrophobicContact CB-CD2 4.39Å; K1030-F1034 HydrophobicContact CB-CE2 4.23Å; K1030-F1034 HydrophobicContact CG-CD2 4Å; K1030-F1034 HydrophobicContact CG-CE2 3.85Å; K1030-F1034 HydrophobicContact CG-CZ 4.4Å; K1030-F1034 WeakPolarHBondContact O-CD2 3.29Å; K1030-F1034 PolarHBondContact O-N 2.97Å; R1032-F1034 PolarHBondContact O-N 3.16Å; R1032-F1034 VanDerWaalsContact O-N 3.13Å; F1034-F1046 HydrophobicContact CD1-CB 3.79Å; F1034-F1046 HydrophobicContact CD1-CD1 4.02Å; F1034-F1046 AromaticContact CD1-CD2 3.62Å; F1034-F1046 HydrophobicContact CD1-CD2 3.62Å; F1034-F1046 HydrophobicContact CD1-CE1 4.47Å; F1034-F1046 HydrophobicContact CD1-CE2 4.1Å; F1034-F1046 AromaticContact CD1-CG 3.56Å; F1034-F1046 HydrophobicContact CD1-CG 3.56Å; F1034-F1046 HydrophobicContact CD1-CZ 4.5Å; F1034-F1046 HydrophobicContact CE1-CB 3.69Å; F1034-F1046 AromaticContact CE1-CD1 3.16Å; F1034-F1046 HydrophobicContact CE1-CD1 3.16Å; F1034-F1046 AromaticContact CE1-CD2 3.61Å; F1034-F1046 HydrophobicContact CE1-CD2 3.61Å; F1034-F1046 AromaticContact CE1-CE1 3.52Å; F1034-F1046 HydrophobicContact CE1-CE1 3.52Å; F1034-F1046 AromaticContact CE1-CE2 3.91Å; F1034-F1046 HydrophobicContact CE1-CE2 3.91Å; F1034-F1046 AromaticContact CE1-CG 3.21Å; F1034-F1046 HydrophobicContact CE1-CG 3.21Å; F1034-F1046 AromaticContact CE1-CZ 3.87Å; F1034-F1046 HydrophobicContact CE1-CZ 3.87Å; F1034-F1046 HydrophobicContact CE2-CZ 4.49Å; F1034-F1046 HydrophobicContact CG-CD2 4.42Å; F1034-F1046 AromaticContact CZ-CD1 3.72Å; F1034-F1046 HydrophobicContact CZ-CD1 3.72Å; F1034-F1046 HydrophobicContact CZ-CD2 4.36Å; F1034-F1046 AromaticContact CZ-CE1 3.56Å; F1034-F1046 HydrophobicContact CZ-CE1 3.56Å; F1034-F1046 HydrophobicContact CZ-CE2 4.21Å; F1034-F1046 HydrophobicContact CZ-CG 4.12Å; F1034-F1046 AromaticContact CZ-CZ 3.82Å; F1034-F1046 HydrophobicContact CZ-CZ 3.82Å; F1034-F1047 AromaticContact CD1-CD2 3.66Å; F1034-F1047 HydrophobicContact CD1-CD2 3.66Å; F1034-F1047 AromaticContact CD1-CE2 3.7Å; F1034-F1047 HydrophobicContact CD1-CE2 3.7Å; F1034-F1047 HydrophobicContact CD1-CG 4.3Å; F1034-F1047 HydrophobicContact CD1-CZ 4.38Å; F1034-F1047 HydrophobicContact CD2-CE2 4.34Å; F1034-F1047 AromaticContact CE1-CD1 3.84Å; F1034-F1047 HydrophobicContact CE1-CD1 3.84Å; F1034-F1047 AromaticContact CE1-CD2 3.21Å; F1034-F1047 HydrophobicContact CE1-CD2 3.21Å; F1034-F1047 AromaticContact CE1-CE1 3.74Å; F1034-F1047 HydrophobicContact CE1-CE1 3.74Å; F1034-F1047 AromaticContact CE1-CE2 3.1Å; F1034-F1047 HydrophobicContact CE1-CE2 3.1Å; F1034-F1047 AromaticContact CE1-CG 3.58Å; F1034-F1047 HydrophobicContact CE1-CG 3.58Å; F1034-F1047 AromaticContact CE1-CZ 3.38Å; F1034-F1047 HydrophobicContact CE1-CZ 3.38Å; F1034-F1047 AromaticContact CE2-CE2 3.88Å; F1034-F1047 HydrophobicContact CE2-CE2 3.88Å; F1034-F1047 AromaticContact CE2-CZ 3.86Å; F1034-F1047 HydrophobicContact CE2-CZ 3.86Å; F1034-F1047 HydrophobicContact CG-CE2 4.3Å; F1034-F1047 HydrophobicContact CZ-CD1 4.19Å; F1034-F1047 AromaticContact CZ-CD2 3.88Å; F1034-F1047 HydrophobicContact CZ-CD2 3.88Å; F1034-F1047 AromaticContact CZ-CE1 3.61Å; F1034-F1047 HydrophobicContact CZ-CE1 3.61Å; F1034-F1047 AromaticContact CZ-CE2 3.26Å; F1034-F1047 HydrophobicContact CZ-CE2 3.26Å; F1034-F1047 HydrophobicContact CZ-CG 4.31Å; F1034-F1047 AromaticContact CZ-CZ 3.1Å; F1034-F1047 HydrophobicContact CZ-CZ 3.1Å; F1034-F1143 HydrophobicContact CD1-CD1 4.47Å; F1034-F1143 HydrophobicContact CE1-CB 4.47Å; F1034-F1143 HydrophobicContact CE1-CD1 4.23Å; F1034-F1143 HydrophobicContact CE1-CE1 4.36Å; F1034-F1143 HydrophobicContact CE1-CG 4.31Å |
| 1035 | S | 34.8 | Very low | 47.6 | Very low | 69.4 Ų | 69.4 | 86.4 Ų | 86.4 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | trans | -106.5 | 10.8 | -176.3 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | E1031 R1032 P1037 | E1031-S1035 VanDerWaalsContact C-OG 3.25Å; E1031-S1035 VanDerWaalsContact O-CB 3.29Å; E1031-S1035 WeakPolarHBondContact O-CB 3.35Å; E1031-S1035 PolarHBondContact O-N 3.14Å; E1031-S1035 PolarHBondContact O-OG 3.17Å; R1032-S1035 VanDerWaalsContact CA-OG 3.3Å; R1032-S1035 WeakPolarHBondContact CA-OG 3.34Å; R1032-S1035 PolarHBondContact O-N 2.98Å; R1032-S1035 VanDerWaalsContact O-N 3.17Å; R1032-S1035 PolarHBondContact O-OG 3.02Å; S1035-P1037 VanDerWaalsContact O-CD 3.3Å; S1035-P1037 WeakPolarHBondContact O-CD 3.35Å; S1035-P1037 VanDerWaalsContact O-CG 3.27Å; S1035-P1037 WeakPolarHBondContact O-CG 3.34Å; S1035-P1037 VanDerWaalsContact O-N 3.14Å | ||
| 1036 | I | 35.8 | Very low | 44.6 | Very low | 103.8 Ų | 103.8 | 93.1 Ų | 93.1 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | trans | -87.6 | 105.5 | 171.7 | -58.9 | 174.5 | 0 | 0 | 0 | 107.5 | R1032 F1095 I1148 | R1032-I1036 WeakPolarHBondContact O-CG1 3.32Å; R1032-I1036 PolarHBondContact O-N 3.25Å; I1036-F1095 HydrophobicContact CD1-CE2 4.48Å; I1036-F1095 HydrophobicContact CD1-CZ 4.19Å; I1036-I1148 HydrophobicContact CD1-CD1 3.99Å | ||
| 1037 | P | 33.4 | Very low | 41.8 | Very low | 89.6 Ų | 89.6 | 97.8 Ų | 97.8 | 58% | 0.582 | 54% | 0.537 | S | S | * | . | trans | -94.8 | 145.9 | 162.5 | 19.2 | -5.2 | 0 | 0 | 0 | 110.9 | S1035 S1039 | S1035-P1037 VanDerWaalsContact O-CD 3.3Å; S1035-P1037 WeakPolarHBondContact O-CD 3.35Å; S1035-P1037 VanDerWaalsContact O-CG 3.27Å; S1035-P1037 WeakPolarHBondContact O-CG 3.34Å; S1035-P1037 VanDerWaalsContact O-N 3.14Å; P1037-S1039 PolarHBondContact O-N 3.27Å; P1037-S1039 VanDerWaalsContact O-N 3.12Å | ||
| 1038 | N | 29.1 | Very low | 39.3 | Very low | 122.4 Ų | 122.4 | 100.4 Ų | 100.4 | 66% | 0.655 | 56% | 0.556 | S | S | * | * | trans | -55.4 | 97.8 | 173.4 | -69.6 | -34.1 | 0 | 0 | 0 | 111.8 | S1040 | N1038-S1040 PolarHBondContact O-N 3.27Å; N1038-S1040 VanDerWaalsContact O-N 3.16Å | ||
| 1039 | S | 28.5 | Very low | 37 | Very low | 115.8 Ų | 115.8 | 106 Ų | 106 | 81% | 0.81 | 57% | 0.571 | S | S | * | * | trans | -84.3 | 78.2 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 111.7 | P1037 T1041 | P1037-S1039 PolarHBondContact O-N 3.27Å; P1037-S1039 VanDerWaalsContact O-N 3.12Å; S1039-T1041 PolarHBondContact O-N 2.83Å | ||
| 1040 | S | 30.6 | Very low | 35 | Very low | 93.6 Ų | 93.6 | 111.2 Ų | 111.2 | 66% | 0.655 | 60% | 0.604 | S | S | * | * | trans | -150.3 | 62.8 | 174.1 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | N1038 | N1038-S1040 PolarHBondContact O-N 3.27Å; N1038-S1040 VanDerWaalsContact O-N 3.16Å | ||
| 1041 | T | 28.5 | Very low | 33.3 | Very low | 105.4 Ų | 105.4 | 112.1 Ų | 112.1 | 65% | 0.647 | 62% | 0.618 | S | S | * | * | trans | -167.1 | 106.4 | 168.3 | -26.7 | 0 | 0 | 0 | 0 | 115 | S1039 G1043 | S1039-T1041 PolarHBondContact O-N 2.83Å; T1041-G1043 PolarHBondContact O-N 3.27Å; T1041-G1043 VanDerWaalsContact O-N 3.09Å | ||
| 1042 | N | 26.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 114 Ų | 114 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | trans | 21.6 | 109.3 | 164.5 | -65.3 | -19.9 | 0 | 0 | 0 | 114.5 | S1202 | N1042-S1202 PolarHBondContact ND2-O 3.05Å; N1042-S1202 VanDerWaalsContact ND2-O 3.09Å | ||
| 1043 | G | 27.7 | Very low | 31 | Very low | 60.2 Ų | 60.2 | 117.2 Ų | 117.2 | 62% | 0.621 | 64% | 0.635 | S | S | * | * | trans | 173.6 | 112 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1041 I1045 | T1041-G1043 PolarHBondContact O-N 3.27Å; T1041-G1043 VanDerWaalsContact O-N 3.09Å; G1043-I1045 PolarHBondContact O-N 2.82Å | ||
| 1044 | N | 27.3 | Very low | 29.9 | Very low | 145.4 Ų | 145.4 | 122.5 Ų | 122.5 | 78% | 0.778 | 66% | 0.663 | S | S | * | * | trans | -14.8 | 136.1 | 140.5 | -72.1 | -37.5 | 0 | 0 | 0 | 113.9 | N1223 N1229 | N1044-N1223 PolarHBondContact O-ND2 3.21Å; N1044-N1229 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 1045 | I | 30.1 | Very low | 28.9 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 49% | 0.487 | 68% | 0.676 | S | S | . | * | trans | 160.6 | 126.8 | 154.8 | -76 | 162.5 | 0 | 0 | 0 | 114.1 | G1043 F1047 N1223 S1225 L1226 N1229 | G1043-I1045 PolarHBondContact O-N 2.82Å; I1045-F1047 HydrophobicContact CG2-CD2 3.76Å; I1045-F1047 HydrophobicContact CG2-CE2 3.82Å; I1045-N1223 HydrophobicContact CD1-CB 4.27Å; I1045-N1223 WeakPolarHBondContact CD1-OD1 3.13Å; I1045-N1223 HydrophobicContact CG2-CB 3.82Å; I1045-N1223 PolarHBondContact O-ND2 3.27Å; I1045-S1225 WeakPolarHBondContact CD1-OG 3.4Å; I1045-S1225 WeakPolarHBondContact CG2-OG 3.21Å; I1045-L1226 HydrophobicContact CG2-CB 4.46Å; I1045-L1226 HydrophobicContact CG2-CG 4.22Å; I1045-L1226 VanDerWaalsContact O-CD1 3.27Å; I1045-L1226 WeakPolarHBondContact O-CD1 3.5Å; I1045-L1226 WeakPolarHBondContact O-CG 3.38Å; I1045-N1229 PolarHBondContact N-OD1 2.95Å | ||
| 1046 | F | 27.9 | Very low | 28.6 | Very low | 140.6 Ų | 140.6 | 126.4 Ų | 126.4 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | trans | -133.7 | 138.2 | 149.6 | -92.9 | -95.9 | 0 | 0 | 0 | 117 | I1033 F1034 P1048 T1051 L1226 | I1033-F1046 HydrophobicContact CG2-CE2 4.2Å; I1033-F1046 HydrophobicContact CG2-CZ 3.87Å; I1033-F1046 WeakPolarHBondContact O-CE2 3.49Å; F1034-F1046 HydrophobicContact CD1-CB 3.79Å; F1034-F1046 HydrophobicContact CD1-CD1 4.02Å; F1034-F1046 AromaticContact CD1-CD2 3.62Å; F1034-F1046 HydrophobicContact CD1-CD2 3.62Å; F1034-F1046 HydrophobicContact CD1-CE1 4.47Å; F1034-F1046 HydrophobicContact CD1-CE2 4.1Å; F1034-F1046 AromaticContact CD1-CG 3.56Å; F1034-F1046 HydrophobicContact CD1-CG 3.56Å; F1034-F1046 HydrophobicContact CD1-CZ 4.5Å; F1034-F1046 HydrophobicContact CE1-CB 3.69Å; F1034-F1046 AromaticContact CE1-CD1 3.16Å; F1034-F1046 HydrophobicContact CE1-CD1 3.16Å; F1034-F1046 AromaticContact CE1-CD2 3.61Å; F1034-F1046 HydrophobicContact CE1-CD2 3.61Å; F1034-F1046 AromaticContact CE1-CE1 3.52Å; F1034-F1046 HydrophobicContact CE1-CE1 3.52Å; F1034-F1046 AromaticContact CE1-CE2 3.91Å; F1034-F1046 HydrophobicContact CE1-CE2 3.91Å; F1034-F1046 AromaticContact CE1-CG 3.21Å; F1034-F1046 HydrophobicContact CE1-CG 3.21Å; F1034-F1046 AromaticContact CE1-CZ 3.87Å; F1034-F1046 HydrophobicContact CE1-CZ 3.87Å; F1034-F1046 HydrophobicContact CE2-CZ 4.49Å; F1034-F1046 HydrophobicContact CG-CD2 4.42Å; F1034-F1046 AromaticContact CZ-CD1 3.72Å; F1034-F1046 HydrophobicContact CZ-CD1 3.72Å; F1034-F1046 HydrophobicContact CZ-CD2 4.36Å; F1034-F1046 AromaticContact CZ-CE1 3.56Å; F1034-F1046 HydrophobicContact CZ-CE1 3.56Å; F1034-F1046 HydrophobicContact CZ-CE2 4.21Å; F1034-F1046 HydrophobicContact CZ-CG 4.12Å; F1034-F1046 AromaticContact CZ-CZ 3.82Å; F1034-F1046 HydrophobicContact CZ-CZ 3.82Å; F1046-P1048 WeakPolarHBondContact O-CD 3.43Å; F1046-T1051 WeakPolarHBondContact CZ-O 3.47Å; F1046-L1226 WeakPolarHBondContact O-CD1 3.44Å; F1046-L1226 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1047 | F | 27.6 | Very low | 28.3 | Very low | 121.2 Ų | 121.2 | 127.9 Ų | 127.9 | 53% | 0.532 | 70% | 0.698 | S | S | . | * | trans | -76.4 | 140.1 | 159.8 | -77.4 | -82.7 | 0 | 0 | 0 | 114.1 | K1030 F1034 I1045 K1049 L1226 F1230 | K1030-F1047 HydrophobicContact CD-CE2 4.1Å; K1030-F1047 HydrophobicContact CD-CZ 3.72Å; K1030-F1047 HydrophobicContact CG-CE2 4.12Å; K1030-F1047 HydrophobicContact CG-CZ 3.88Å; F1034-F1047 AromaticContact CD1-CD2 3.66Å; F1034-F1047 HydrophobicContact CD1-CD2 3.66Å; F1034-F1047 AromaticContact CD1-CE2 3.7Å; F1034-F1047 HydrophobicContact CD1-CE2 3.7Å; F1034-F1047 HydrophobicContact CD1-CG 4.3Å; F1034-F1047 HydrophobicContact CD1-CZ 4.38Å; F1034-F1047 HydrophobicContact CD2-CE2 4.34Å; F1034-F1047 AromaticContact CE1-CD1 3.84Å; F1034-F1047 HydrophobicContact CE1-CD1 3.84Å; F1034-F1047 AromaticContact CE1-CD2 3.21Å; F1034-F1047 HydrophobicContact CE1-CD2 3.21Å; F1034-F1047 AromaticContact CE1-CE1 3.74Å; F1034-F1047 HydrophobicContact CE1-CE1 3.74Å; F1034-F1047 AromaticContact CE1-CE2 3.1Å; F1034-F1047 HydrophobicContact CE1-CE2 3.1Å; F1034-F1047 AromaticContact CE1-CG 3.58Å; F1034-F1047 HydrophobicContact CE1-CG 3.58Å; F1034-F1047 AromaticContact CE1-CZ 3.38Å; F1034-F1047 HydrophobicContact CE1-CZ 3.38Å; F1034-F1047 AromaticContact CE2-CE2 3.88Å; F1034-F1047 HydrophobicContact CE2-CE2 3.88Å; F1034-F1047 AromaticContact CE2-CZ 3.86Å; F1034-F1047 HydrophobicContact CE2-CZ 3.86Å; F1034-F1047 HydrophobicContact CG-CE2 4.3Å; F1034-F1047 HydrophobicContact CZ-CD1 4.19Å; F1034-F1047 AromaticContact CZ-CD2 3.88Å; F1034-F1047 HydrophobicContact CZ-CD2 3.88Å; F1034-F1047 AromaticContact CZ-CE1 3.61Å; F1034-F1047 HydrophobicContact CZ-CE1 3.61Å; F1034-F1047 AromaticContact CZ-CE2 3.26Å; F1034-F1047 HydrophobicContact CZ-CE2 3.26Å; F1034-F1047 HydrophobicContact CZ-CG 4.31Å; F1034-F1047 AromaticContact CZ-CZ 3.1Å; F1034-F1047 HydrophobicContact CZ-CZ 3.1Å; I1045-F1047 HydrophobicContact CG2-CD2 3.76Å; I1045-F1047 HydrophobicContact CG2-CE2 3.82Å; F1047-K1049 PolarHBondContact O-N 3.45Å; F1047-L1226 HydrophobicContact CB-CD1 4.45Å; F1047-L1226 HydrophobicContact CD1-CD1 3.7Å; F1047-L1226 HydrophobicContact CD1-CD2 3.93Å; F1047-L1226 HydrophobicContact CD1-CG 4.49Å; F1047-L1226 HydrophobicContact CD2-CD2 4.44Å; F1047-L1226 HydrophobicContact CE1-CD1 4.11Å; F1047-L1226 HydrophobicContact CE1-CD2 3.47Å; F1047-L1226 VanDerWaalsContact CE1-CD2 3.47Å; F1047-L1226 HydrophobicContact CE1-CG 4.47Å; F1047-L1226 HydrophobicContact CE2-CD2 3.98Å; F1047-L1226 HydrophobicContact CG-CD1 3.99Å; F1047-L1226 HydrophobicContact CG-CD2 4.37Å; F1047-L1226 HydrophobicContact CZ-CD2 3.51Å; F1047-F1230 AromaticContact CD1-CE2 3.66Å; F1047-F1230 HydrophobicContact CD1-CE2 3.66Å; F1047-F1230 AromaticContact CD1-CZ 3.82Å; F1047-F1230 HydrophobicContact CD1-CZ 3.82Å; F1047-F1230 HydrophobicContact CE1-CD2 4.31Å; F1047-F1230 HydrophobicContact CE1-CE1 4.4Å; F1047-F1230 AromaticContact CE1-CE2 3.24Å; F1047-F1230 HydrophobicContact CE1-CE2 3.24Å; F1047-F1230 AromaticContact CE1-CZ 3.32Å; F1047-F1230 HydrophobicContact CE1-CZ 3.32Å; F1047-F1230 AromaticContact CZ-CE2 3.85Å; F1047-F1230 HydrophobicContact CZ-CE2 4.16Å; F1047-F1230 HydrophobicContact CZ-CZ 4.22Å; F1047-F1230 WeakPolarHBondContact O-CE2 3.33Å | ||
| 1048 | P | 28.3 | Very low | 28 | Very low | 104.6 Ų | 104.6 | 131.2 Ų | 131.2 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | -109.3 | 111.3 | 159 | 33.5 | -22.9 | 0 | 0 | 0 | 112.3 | F1046 T1050 F1230 | F1046-P1048 WeakPolarHBondContact O-CD 3.43Å; P1048-T1050 HydrophobicContact CB-CG2 4.38Å; P1048-T1050 PolarHBondContact O-N 3.37Å; P1048-F1230 HydrophobicContact CB-CD1 4.44Å; P1048-F1230 HydrophobicContact CB-CD2 4.47Å; P1048-F1230 HydrophobicContact CB-CE1 4.3Å; P1048-F1230 HydrophobicContact CB-CE2 4.31Å; P1048-F1230 HydrophobicContact CB-CZ 4.28Å; P1048-F1230 VanDerWaalsContact CD-CE1 3.44Å; P1048-F1230 HydrophobicContact CG-CD1 3.89Å; P1048-F1230 HydrophobicContact CG-CE1 3.47Å; P1048-F1230 VanDerWaalsContact CG-CE1 3.47Å; P1048-F1230 HydrophobicContact CG-CE2 4.24Å; P1048-F1230 HydrophobicContact CG-CG 4.5Å; P1048-F1230 HydrophobicContact CG-CZ 3.71Å | ||
| 1049 | K | 26.9 | Very low | 27.9 | Very low | 171.4 Ų | 171.4 | 130.1 Ų | 130.1 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | -40.5 | 115.5 | 142.1 | -69.2 | 178 | 178.6 | 175.5 | 0 | 114.3 | F541 F1047 T1051 R1052 | F541-K1049 HydrophobicContact CE1-CD 4.44Å; F1047-K1049 PolarHBondContact O-N 3.45Å; K1049-T1051 CarbonylContact O-C 3.38Å; K1049-T1051 VanDerWaalsContact O-CA 3.22Å; K1049-T1051 WeakPolarHBondContact O-CA 3.37Å; K1049-T1051 PolarHBondContact O-N 2.98Å; K1049-R1052 HydrophobicContact CB-CB 3.88Å; K1049-R1052 HydrophobicContact CB-CG 4.5Å; K1049-R1052 WeakPolarHBondContact O-CB 3.4Å; K1049-R1052 PolarHBondContact O-N 3.36Å | ||
| 1050 | T | 27.9 | Very low | 27.9 | Very low | 127.4 Ų | 127.4 | 131.4 Ų | 131.4 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -95.2 | 133.9 | 150.8 | 43.7 | 0 | 0 | 0 | 0 | 110 | P1048 | P1048-T1050 HydrophobicContact CB-CG2 4.38Å; P1048-T1050 PolarHBondContact O-N 3.37Å |
| 1051 | T | 27.8 | Very low | 27.9 | Very low | 114.4 Ų | 114.4 | 133.4 Ų | 133.4 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | S | Bend | -100.1 | 136.8 | 124.7 | 46.9 | 0 | 0 | 0 | 0 | 114.2 | F1046 K1049 | F1046-T1051 WeakPolarHBondContact CZ-O 3.47Å; K1049-T1051 CarbonylContact O-C 3.38Å; K1049-T1051 VanDerWaalsContact O-CA 3.22Å; K1049-T1051 WeakPolarHBondContact O-CA 3.37Å; K1049-T1051 PolarHBondContact O-N 2.98Å | |
| 1052 | R | 27.6 | Very low | 27.9 | Very low | 210.6 Ų | 210.6 | 134.7 Ų | 134.7 | 80% | 0.795 | 71% | 0.714 | S | S | * | * | trans | -118.1 | 116.9 | 166.4 | -127.2 | -178.4 | -172.8 | 159.1 | 3.6 | 111.3 | K1049 D1054 | K1049-R1052 HydrophobicContact CB-CB 3.88Å; K1049-R1052 HydrophobicContact CB-CG 4.5Å; K1049-R1052 WeakPolarHBondContact O-CB 3.4Å; K1049-R1052 PolarHBondContact O-N 3.36Å; R1052-D1054 VanDerWaalsContact CD-OD2 3.25Å; R1052-D1054 WeakPolarHBondContact CD-OD2 3.4Å | ||
| 1053 | F | 26.1 | Very low | 28 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 80% | 0.798 | 71% | 0.705 | S | S | * | * | trans | -76.5 | 120.2 | 154 | -84.4 | -92.6 | 0 | 0 | 0 | 110.4 | N1055 | F1053-N1055 HydrophobicContact CD1-CB 4.45Š| ||
| 1054 | D | 28.2 | Very low | 28.1 | Very low | 133.6 Ų | 133.6 | 136.8 Ų | 136.8 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | trans | -141.1 | 128.9 | 141.6 | -91.5 | -42.5 | 0 | 0 | 0 | 108.1 | R1052 T1056 | R1052-D1054 VanDerWaalsContact CD-OD2 3.25Å; R1052-D1054 WeakPolarHBondContact CD-OD2 3.4Å; D1054-T1056 PolarHBondContact O-N 2.64Å | ||
| 1055 | N | 26.2 | Very low | 28.2 | Very low | 137.8 Ų | 137.8 | 134.8 Ų | 134.8 | 74% | 0.737 | 71% | 0.708 | S | S | * | * | trans | -98 | 119 | -177.1 | -86.7 | -26.9 | 0 | 0 | 0 | 112.2 | F1053 I1222 | F1053-N1055 HydrophobicContact CD1-CB 4.45Å; N1055-I1222 HydrophobicContact CB-CD1 4.48Å | ||
| 1056 | T | 29.1 | Very low | 28.1 | Very low | 122.6 Ų | 122.6 | 135.8 Ų | 135.8 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -155.4 | 132.4 | 141.3 | 33.4 | 0 | 0 | 0 | 0 | 111.9 | D1054 | D1054-T1056 PolarHBondContact O-N 2.64Š| ||
| 1057 | N | 28.2 | Very low | 28.2 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 24.1 | 124.1 | 170.5 | -55.1 | -29.6 | 0 | 0 | 0 | 117 | ||||
| 1058 | N | 27.4 | Very low | 28.2 | Very low | 158.8 Ų | 158.8 | 136.8 Ų | 136.8 | 85% | 0.849 | 74% | 0.738 | S | S | * | * | 20 | 137.6 | 125.6 | -78.8 | -9.8 | 0 | 0 | 0 | 114.1 | |||||
| 1059 | S | 27.3 | Very low | 28.2 | Very low | 98.4 Ų | 98.4 | 138.2 Ų | 138.2 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | -175.1 | 160.7 | 116.7 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1060 | I | 29.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 136 Ų | 136 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | 122 | 123 | 125 | -90 | 166.2 | 0 | 0 | 0 | 112.7 | |||||
| 1061 | I | 29.4 | Very low | 28.5 | Very low | 135.8 Ų | 135.8 | 136.5 Ų | 136.5 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | 71.9 | 124 | 99.9 | -67.2 | 174 | 0 | 0 | 0 | 117.6 | |||||
| 1062 | N | 28.7 | Very low | 28.5 | Very low | 132.8 Ų | 132.8 | 138.8 Ų | 138.8 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | trans | 80.2 | 125.3 | 150.3 | -62.6 | -5.8 | 0 | 0 | 0 | 117.7 | ||||
| 1063 | N | 28.7 | Very low | 28.7 | Very low | 123.6 Ų | 123.6 | 132.7 Ų | 132.7 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | 127.1 | 138.6 | 64.8 | -94.7 | 32.8 | 0 | 0 | 0 | 115.8 | |||||
| 1064 | D | 29.2 | Very low | 28.9 | Very low | 137.8 Ų | 137.8 | 130.9 Ų | 130.9 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | trans | 86.5 | 124.5 | 135.3 | -61.5 | -23.2 | 0 | 0 | 0 | 118.9 | ||||
| 1065 | S | 30.1 | Very low | 29.1 | Very low | 103.4 Ų | 103.4 | 132 Ų | 132 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | trans | 173.6 | 152.5 | 132.4 | 54.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1066 | C | 27.5 | Very low | 29.2 | Very low | 115.2 Ų | 115.2 | 131.7 Ų | 131.7 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | trans | -145.6 | 148.2 | 147 | -77.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1067 | I | 29.4 | Very low | 29.2 | Very low | 149.2 Ų | 149.2 | 131.8 Ų | 131.8 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | 91.5 | 102.7 | 125 | -64.2 | 164.8 | 0 | 0 | 0 | 116.1 | |||||
| 1068 | N | 28 | Very low | 29.3 | Very low | 135.4 Ų | 135.4 | 130.8 Ų | 130.8 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | 49.1 | 143.4 | 133 | -77.2 | -27.9 | 0 | 0 | 0 | 118.2 | ||||
| 1069 | N | 29.5 | Very low | 29.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | -160 | 133.3 | 104.6 | -85.6 | -39.8 | 0 | 0 | 0 | 113.7 | |||||
| 1070 | N | 28.7 | Very low | 29.5 | Very low | 125.4 Ų | 125.4 | 132.8 Ų | 132.8 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | 98.4 | 132.3 | 100.9 | -80.6 | -24.6 | 0 | 0 | 0 | 116.2 | |||||
| 1071 | N | 31.3 | Very low | 29.5 | Very low | 138.2 Ų | 138.2 | 136.5 Ų | 136.5 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | 107.3 | 120.7 | 118.2 | -69.2 | -30.1 | 0 | 0 | 0 | 118.4 | A1073 | N1071-A1073 PolarHBondContact O-N 3.2Š| |||
| 1072 | N | 29.2 | Very low | 29.6 | Very low | 162.6 Ų | 162.6 | 138.6 Ų | 138.6 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | trans | 1.5 | 123.7 | 142.5 | -72.9 | -24.2 | 0 | 0 | 0 | 116 | ||||
| 1073 | A | 30.2 | Very low | 29.7 | Very low | 81.2 Ų | 81.2 | 140.5 Ų | 140.5 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | 155.9 | 125 | 125.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1071 H1075 | N1071-A1073 PolarHBondContact O-N 3.2Å; A1073-H1075 PolarHBondContact O-N 2.88Å | |||
| 1074 | N | 30.5 | Very low | 29.7 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | 46.9 | 129.1 | 143.5 | -57.8 | -18.2 | 0 | 0 | 0 | 117.3 | ||||
| 1075 | H | 32 | Very low | 29.7 | Very low | 156.4 Ų | 156.4 | 142.3 Ų | 142.3 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | 153.5 | 127.3 | 103 | -91.7 | -66.8 | 0 | 0 | 0 | 114.4 | A1073 | A1073-H1075 PolarHBondContact O-N 2.88Š| |||
| 1076 | N | 28.6 | Very low | 29.7 | Very low | 132.2 Ų | 132.2 | 143.2 Ų | 143.2 | 71% | 0.707 | 75% | 0.754 | S | S | * | * | trans | 55.1 | 141.4 | 133.4 | -54.5 | -13.7 | 0 | 0 | 0 | 116.6 | ||||
| 1077 | T | 30.3 | Very low | 29.8 | Very low | 124.8 Ų | 124.8 | 145.2 Ų | 145.2 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | 144.4 | 138.2 | 98.7 | 34 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1078 | T | 29.9 | Very low | 29.7 | Very low | 114.4 Ų | 114.4 | 145 Ų | 145 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | 51.7 | 111.9 | 146.9 | 52.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1079 | D | 29 | Very low | 29.9 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | 89.4 | 125.2 | 126.8 | -65.6 | -31.3 | 0 | 0 | 0 | 123.8 | |||||
| 1080 | H | 30.6 | Very low | 30 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 128.5 | 145.9 | -62.4 | -22.7 | 0 | 0 | 0 | 120.7 | ||||
| 1081 | R | 28.7 | Very low | 30.2 | Very low | 221 Ų | 221 | 147.5 Ų | 147.5 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | cis | 151.6 | 123.3 | 48.6 | -177.3 | 179.5 | -179.3 | 156.6 | -1.8 | 113.2 | ||||
| 1082 | K | 31.3 | Very low | 30.4 | Very low | 179.8 Ų | 179.8 | 147 Ų | 147 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -160.2 | 146 | 135 | -88.4 | -176.7 | 171.7 | -165.5 | 0 | 115.1 | ||||
| 1083 | Q | 30.3 | Very low | 31.4 | Very low | 172.4 Ų | 172.4 | 148 Ų | 148 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | 157 | 142.3 | 128.6 | -90.5 | 168.4 | -22.7 | 0 | 0 | 112.5 | |||||
| 1084 | T | 28.8 | Very low | 32.7 | Very low | 121.8 Ų | 121.8 | 148.9 Ų | 148.9 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | 87.8 | 126.9 | 102.6 | 37.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1085 | E | 30.7 | Very low | 34.3 | Very low | 177.8 Ų | 177.8 | 143.5 Ų | 143.5 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | trans | -162.4 | 126.2 | 152.7 | -103 | 161.4 | -143.3 | 0 | 0 | 113.7 | ||||
| 1086 | T | 29.9 | Very low | 36.4 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -102.4 | 127.1 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 115.2 | N1088 | T1086-N1088 VanDerWaalsContact C-N 3.35Å; T1086-N1088 PolarHBondContact O-N 3.17Å | ||
| 1087 | N | 28.4 | Very low | 39 | Very low | 157.4 Ų | 157.4 | 138.5 Ų | 138.5 | 84% | 0.842 | 71% | 0.711 | S | S | * | * | trans | -96.9 | 106.4 | 163.2 | -71.3 | -10.9 | 0 | 0 | 0 | 113 | I1089 | N1087-I1089 PolarHBondContact O-N 2.98Š| ||
| 1088 | N | 27.7 | Very low | 41.7 | Very low | 145.2 Ų | 145.2 | 135.9 Ų | 135.9 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | -76.3 | 134.2 | 160 | -74.1 | -24.6 | 0 | 0 | 0 | 111.1 | T1086 | T1086-N1088 VanDerWaalsContact C-N 3.35Å; T1086-N1088 PolarHBondContact O-N 3.17Å | ||
| 1089 | I | 33.4 | Very low | 44.4 | Very low | 153.4 Ų | 153.4 | 130.6 Ų | 130.6 | 79% | 0.787 | 65% | 0.654 | S | S | * | * | trans | -112.7 | 100.8 | 174 | -55.9 | 172.8 | 0 | 0 | 0 | 109.6 | N1087 L1091 | N1087-I1089 PolarHBondContact O-N 2.98Å; I1089-L1091 HydrophobicContact CG2-CG 4.38Å; I1089-L1091 PolarHBondContact O-N 3.03Å; I1089-L1091 VanDerWaalsContact O-N 3.09Å | ||
| 1090 | D | 30 | Very low | 47.1 | Very low | 140.6 Ų | 140.6 | 126 Ų | 126 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -67 | 102.5 | 166.2 | -75.6 | -34.4 | 0 | 0 | 0 | 114.3 | N1092 | D1090-N1092 VanDerWaalsContact C-N 3.28Å; D1090-N1092 HydrophobicContact CB-CB 4.42Å; D1090-N1092 PolarHBondContact O-N 3.21Å | ||
| 1091 | L | 33.5 | Very low | 49.9 | Very low | 152.8 Ų | 152.8 | 118.6 Ų | 118.6 | 80% | 0.8 | 60% | 0.598 | S | S | * | * | trans | -79.7 | 45 | 172.4 | -79.5 | 130.8 | 0 | 0 | 0 | 112.3 | I1089 K1093 | I1089-L1091 HydrophobicContact CG2-CG 4.38Å; I1089-L1091 PolarHBondContact O-N 3.03Å; I1089-L1091 VanDerWaalsContact O-N 3.09Å; L1091-K1093 PolarHBondContact O-N 2.82Å | ||
| 1092 | N | 36 | Very low | 52.9 | Low | 127 Ų | 127 | 108 Ų | 108 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | trans | -137.9 | 67.8 | 177.4 | -88.6 | -34.6 | 0 | 0 | 0 | 111.9 | D1090 S1094 | D1090-N1092 VanDerWaalsContact C-N 3.28Å; D1090-N1092 HydrophobicContact CB-CB 4.42Å; D1090-N1092 PolarHBondContact O-N 3.21Å; N1092-S1094 PolarHBondContact O-N 3.19Å; N1092-S1094 VanDerWaalsContact O-N 3.12Å | ||
| 1093 | K | 49.5 | Very low | 55.8 | Low | 184.4 Ų | 184.4 | 99.6 Ų | 99.6 | 80% | 0.802 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 112.9 | 168.4 | -74.7 | -176 | 178.3 | 177 | 0 | 109.7 | L1091 | L1091-K1093 PolarHBondContact O-N 2.82Š|
| 1094 | S | 56.8 | Low | 58.7 | Low | 99.6 Ų | 99.6 | 92.2 Ų | 92.2 | 70% | 0.697 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 144.6 | 165.6 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | N1092 | N1092-S1094 PolarHBondContact O-N 3.19Å; N1092-S1094 VanDerWaalsContact O-N 3.12Å |
| 1095 | F | 64.1 | Low | 61.7 | Low | 31 Ų | 31 | 86.5 Ų | 86.5 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 145.5 | 166.5 | -84.9 | -119.2 | 0 | 0 | 0 | 109.8 | I1033 I1036 E1099 C1100 I1103 P1145 I1148 A1149 | I1033-F1095 HydrophobicContact CD1-CE1 4.19Å; I1033-F1095 HydrophobicContact CG1-CE1 4.13Å; I1033-F1095 HydrophobicContact CG1-CZ 4.18Å; I1036-F1095 HydrophobicContact CD1-CE2 4.48Å; I1036-F1095 HydrophobicContact CD1-CZ 4.19Å; F1095-E1099 HydrophobicContact CB-CB 4.39Å; F1095-E1099 HydrophobicContact CD1-CB 4.06Å; F1095-E1099 VanDerWaalsContact CD1-CD 3.42Å; F1095-E1099 HydrophobicContact CD1-CG 3.55Å; F1095-E1099 WeakPolarHBondContact CD1-OE2 3.39Å; F1095-E1099 VanDerWaalsContact CE1-CD 3.48Å; F1095-E1099 HydrophobicContact CE1-CG 3.87Å; F1095-E1099 WeakPolarHBondContact CE1-OE1 3.41Å; F1095-C1100 VanDerWaalsContact CB-SG 3.55Å; F1095-I1103 HydrophobicContact CD1-CD1 4.15Å; F1095-I1103 HydrophobicContact CE1-CD1 3.7Å; F1095-P1145 HydrophobicContact CE1-CG 4.26Å; F1095-P1145 HydrophobicContact CZ-CB 4.44Å; F1095-P1145 HydrophobicContact CZ-CG 4.17Å; F1095-I1148 HydrophobicContact CD2-CB 4.37Å; F1095-I1148 HydrophobicContact CD2-CG2 3.54Å; F1095-I1148 VanDerWaalsContact CD2-CG2 3.43Å; F1095-I1148 HydrophobicContact CE1-CG2 4.45Å; F1095-I1148 HydrophobicContact CE2-CB 4.18Å; F1095-I1148 HydrophobicContact CE2-CD1 4.05Å; F1095-I1148 HydrophobicContact CE2-CG2 3.53Å; F1095-I1148 VanDerWaalsContact CE2-CG2 3.45Å; F1095-I1148 HydrophobicContact CG-CG2 4.28Å; F1095-I1148 HydrophobicContact CZ-CB 4.45Å; F1095-I1148 HydrophobicContact CZ-CD1 4.35Å; F1095-I1148 HydrophobicContact CZ-CG2 4.25Å; F1095-A1149 HydrophobicContact CD1-CB 4.41Å; F1095-A1149 HydrophobicContact CE1-CB 4.4Å |
| 1096 | D | 77.2 | Confident | 64.7 | Low | 87.8 Ų | 87.8 | 78.1 Ų | 78.1 | 47% | 0.47 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 149.5 | 170.6 | -157.4 | -3.8 | 0 | 0 | 0 | 109.7 | R1032 W1098 E1099 C1100 | R1032-D1096 IonicContact CZ-OD2 3.66Å; R1032-D1096 IonicContact NH1-OD2 3.71Å; R1032-D1096 IonicContact NH2-OD2 2.74Å; R1032-D1096 PolarHBondContact NH2-OD2 3.41Å; D1096-W1098 PolarHBondContact O-N 3.19Å; D1096-W1098 VanDerWaalsContact O-N 3.15Å; D1096-E1099 HydrophobicContact CB-CB 4.4Å; D1096-E1099 HydrophobicContact CB-CG 3.97Å; D1096-E1099 PolarHBondContact N-OE2 3.49Å; D1096-E1099 WeakPolarHBondContact O-CA 3.42Å; D1096-E1099 WeakPolarHBondContact O-CB 3.38Å; D1096-E1099 PolarHBondContact O-N 3.05Å; D1096-C1100 PolarHBondContact O-N 3.23Å; D1096-C1100 VanDerWaalsContact O-N 3.1Å |
| 1097 | I | 84.1 | Confident | 67.8 | Low | 97 Ų | 97 | 72.4 Ų | 72.4 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.7 | -39 | -179.5 | -62.5 | 173.1 | 0 | 0 | 0 | 110.5 | C1100 I1101 | I1097-C1100 PolarHBondContact O-N 2.96Å; I1097-I1101 HydrophobicContact CG2-CD1 3.88Å; I1097-I1101 WeakPolarHBondContact O-CD1 3.35Å; I1097-I1101 VanDerWaalsContact O-CG1 3.26Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.36Å; I1097-I1101 PolarHBondContact O-N 3.06Å; I1097-I1101 VanDerWaalsContact O-N 3.14Å |
| 1098 | W | 86.2 | Confident | 70.9 | Confident | 69.2 Ų | 69.2 | 66.6 Ų | 66.6 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 175.8 | -74.6 | 117.2 | 0 | 0 | 0 | 114.2 | L747 F752 R854 D1096 C1100 I1101 D1102 | L747-W1098 WeakPolarHBondContact O-CH2 3.42Å; L747-W1098 VanDerWaalsContact O-CZ2 3.28Å; L747-W1098 WeakPolarHBondContact O-CZ2 3.3Å; F752-W1098 HydrophobicContact CB-CH2 3.94Å; F752-W1098 HydrophobicContact CB-CZ3 3.94Å; F752-W1098 HydrophobicContact CD1-CZ3 4.41Å; F752-W1098 HydrophobicContact CD2-CH2 4.28Å; F752-W1098 HydrophobicContact CD2-CZ3 4.05Å; F752-W1098 HydrophobicContact CG-CH2 4.23Å; F752-W1098 AromaticContact CG-CZ3 3.86Å; F752-W1098 HydrophobicContact CG-CZ3 3.86Å; R854-W1098 VanDerWaalsContact CZ-CE3 3.44Å; D1096-W1098 PolarHBondContact O-N 3.19Å; D1096-W1098 VanDerWaalsContact O-N 3.15Å; W1098-C1100 VanDerWaalsContact C-N 3.35Å; W1098-I1101 HydrophobicContact CD2-CD1 4.46Å; W1098-I1101 HydrophobicContact CE3-CB 4.44Å; W1098-I1101 HydrophobicContact CE3-CD1 3.97Å; W1098-I1101 HydrophobicContact CE3-CG2 4.32Å; W1098-I1101 HydrophobicContact CZ3-CD1 4.19Å; W1098-I1101 HydrophobicContact CZ3-CG2 4.45Å; W1098-I1101 PolarHBondContact O-N 3.09Å; W1098-D1102 WeakPolarHBondContact O-CB 3.35Å; W1098-D1102 PolarHBondContact O-N 3.03Å |
| 1099 | E | 85.8 | Confident | 74 | Confident | 2.8 Ų | 2.8 | 59.8 Ų | 59.8 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.2 | -154.9 | 170.6 | -172.8 | 0 | 0 | 110.4 | H1029 R1032 F1095 D1096 D1102 I1103 | H1029-E1099 HydrophobicContact CB-CG 4.16Å; H1029-E1099 IonicContact CG-OE1 3.01Å; H1029-E1099 IonicContact ND1-OE1 3.08Å; H1029-E1099 IonicContact ND1-OE2 2.74Å; R1032-E1099 WeakPolarHBondContact CB-OE1 3.37Å; R1032-E1099 IonicContact CZ-OE1 3.33Å; R1032-E1099 VanDerWaalsContact CZ-OE1 3.26Å; R1032-E1099 IonicContact CZ-OE2 3.3Å; R1032-E1099 VanDerWaalsContact CZ-OE2 3.23Å; R1032-E1099 VanDerWaalsContact NE-CD 3.3Å; R1032-E1099 IonicContact NE-OE1 2.76Å; R1032-E1099 PolarHBondContact NE-OE1 2.95Å; R1032-E1099 IonicContact NE-OE2 3Å; R1032-E1099 PolarHBondContact NE-OE2 2.92Å; R1032-E1099 IonicContact NH1-OE2 3.38Å; R1032-E1099 IonicContact NH2-OE1 3.58Å; R1032-E1099 PolarHBondContact NH2-OE1 3.13Å; R1032-E1099 IonicContact NH2-OE2 2.93Å; R1032-E1099 PolarHBondContact NH2-OE2 3.28Å; F1095-E1099 HydrophobicContact CB-CB 4.39Å; F1095-E1099 HydrophobicContact CD1-CB 4.06Å; F1095-E1099 VanDerWaalsContact CD1-CD 3.42Å; F1095-E1099 HydrophobicContact CD1-CG 3.55Å; F1095-E1099 WeakPolarHBondContact CD1-OE2 3.39Å; F1095-E1099 VanDerWaalsContact CE1-CD 3.48Å; F1095-E1099 HydrophobicContact CE1-CG 3.87Å; F1095-E1099 WeakPolarHBondContact CE1-OE1 3.41Å; D1096-E1099 HydrophobicContact CB-CB 4.4Å; D1096-E1099 HydrophobicContact CB-CG 3.97Å; D1096-E1099 PolarHBondContact N-OE2 3.49Å; D1096-E1099 WeakPolarHBondContact O-CA 3.42Å; D1096-E1099 WeakPolarHBondContact O-CB 3.38Å; D1096-E1099 PolarHBondContact O-N 3.05Å; E1099-D1102 PolarHBondContact O-N 3.25Å; E1099-I1103 HydrophobicContact CG-CD1 4.02Å; E1099-I1103 WeakPolarHBondContact O-CB 3.31Å; E1099-I1103 WeakPolarHBondContact O-CD1 3.36Å; E1099-I1103 VanDerWaalsContact O-CG1 3.26Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.43Å; E1099-I1103 PolarHBondContact O-N 3.21Å |
| 1100 | C | 86.6 | Confident | 76.9 | Confident | 33.8 Ų | 33.8 | 52.5 Ų | 52.5 | 23% | 0.228 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 171.9 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | F1095 D1096 I1097 W1098 I1103 E1104 A1149 | F1095-C1100 VanDerWaalsContact CB-SG 3.55Å; D1096-C1100 PolarHBondContact O-N 3.23Å; D1096-C1100 VanDerWaalsContact O-N 3.1Å; I1097-C1100 PolarHBondContact O-N 2.96Å; W1098-C1100 VanDerWaalsContact C-N 3.35Å; C1100-I1103 PolarHBondContact O-N 2.92Å; C1100-E1104 WeakPolarHBondContact O-CB 3.36Å; C1100-E1104 PolarHBondContact O-N 3.25Å; C1100-A1149 WeakPolarHBondContact CB-O 3.41Å; C1100-A1149 PolarHBondContact SG-O 2.91Å |
| 1101 | I | 90.1 | Very high | 79.9 | Confident | 13.2 Ų | 13.2 | 46 Ų | 46 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 175.7 | -72 | 165.4 | 0 | 0 | 0 | 111 | G749 F752 L753 I1097 W1098 I1103 E1104 L1105 | G749-I1101 WeakPolarHBondContact O-CD1 3.42Å; F752-I1101 HydrophobicContact CD1-CD1 4.4Å; F752-I1101 HydrophobicContact CD1-CG2 3.53Å; F752-I1101 HydrophobicContact CE1-CG2 3.55Å; F752-I1101 HydrophobicContact CG-CG2 4.49Å; L753-I1101 HydrophobicContact CD1-CD1 4.4Å; L753-I1101 HydrophobicContact CD1-CG1 4.45Å; L753-I1101 HydrophobicContact CD2-CD1 4.48Å; L753-I1101 HydrophobicContact CD2-CG1 3.92Å; L753-I1101 HydrophobicContact CG-CD1 4.01Å; L753-I1101 HydrophobicContact CG-CG1 4Å; I1097-I1101 HydrophobicContact CG2-CD1 3.88Å; I1097-I1101 WeakPolarHBondContact O-CD1 3.35Å; I1097-I1101 VanDerWaalsContact O-CG1 3.26Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.36Å; I1097-I1101 PolarHBondContact O-N 3.06Å; I1097-I1101 VanDerWaalsContact O-N 3.14Å; W1098-I1101 HydrophobicContact CD2-CD1 4.46Å; W1098-I1101 HydrophobicContact CE3-CB 4.44Å; W1098-I1101 HydrophobicContact CE3-CD1 3.97Å; W1098-I1101 HydrophobicContact CE3-CG2 4.32Å; W1098-I1101 HydrophobicContact CZ3-CD1 4.19Å; W1098-I1101 HydrophobicContact CZ3-CG2 4.45Å; W1098-I1101 PolarHBondContact O-N 3.09Å; I1101-I1103 VanDerWaalsContact C-N 3.33Å; I1101-I1103 PolarHBondContact O-N 3.04Å; I1101-E1104 PolarHBondContact O-N 3.27Å; I1101-L1105 HydrophobicContact CG2-CD1 4.05Å; I1101-L1105 HydrophobicContact CG2-CG 4.4Å; I1101-L1105 WeakPolarHBondContact O-CB 3.36Å; I1101-L1105 VanDerWaalsContact O-CG 3.31Å; I1101-L1105 WeakPolarHBondContact O-CG 3.33Å; I1101-L1105 PolarHBondContact O-N 2.99Å |
| 1102 | D | 91.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | -179.5 | -71.2 | -25.8 | 0 | 0 | 0 | 110.9 | R854 L1025 H1029 W1098 E1099 L1105 I1106 | R854-D1102 WeakPolarHBondContact CG-OD1 3.5Å; R854-D1102 IonicContact CZ-OD1 3.17Å; R854-D1102 IonicContact CZ-OD2 3.65Å; R854-D1102 IonicContact NE-OD1 3.5Å; R854-D1102 PolarHBondContact NE-OD1 3.13Å; R854-D1102 IonicContact NE-OD2 3Å; R854-D1102 IonicContact NH2-OD1 3Å; R854-D1102 PolarHBondContact NH2-OD1 3.33Å; R854-D1102 IonicContact NH2-OD2 3.11Å; R854-D1102 PolarHBondContact NH2-OD2 3.24Å; L1025-D1102 HydrophobicContact CB-CB 4.4Å; L1025-D1102 HydrophobicContact CD2-CB 4.18Å; L1025-D1102 VanDerWaalsContact CD2-OD1 3.27Å; L1025-D1102 WeakPolarHBondContact CD2-OD1 3.43Å; H1029-D1102 IonicContact CD2-OD2 3.09Å; H1029-D1102 IonicContact CE1-OD2 3.3Å; H1029-D1102 PolarHBondContact CE1-OD2 3.34Å; H1029-D1102 IonicContact NE2-OD2 3.25Å; H1029-D1102 PolarHBondContact NE2-OD2 3.19Å; W1098-D1102 WeakPolarHBondContact O-CB 3.35Å; W1098-D1102 PolarHBondContact O-N 3.03Å; E1099-D1102 PolarHBondContact O-N 3.25Å; D1102-L1105 WeakPolarHBondContact O-CB 3.47Å; D1102-L1105 PolarHBondContact O-N 3.32Å; D1102-I1106 VanDerWaalsContact O-CD1 3.32Å; D1102-I1106 WeakPolarHBondContact O-CD1 3.28Å; D1102-I1106 WeakPolarHBondContact O-CG1 3.33Å; D1102-I1106 PolarHBondContact O-N 3.19Å |
| 1103 | I | 91.2 | Very high | 85.4 | Confident | 1.4 Ų | 1.4 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 177.3 | -66.7 | 163.1 | 0 | 0 | 0 | 111.8 | I1033 F1095 E1099 C1100 I1101 I1106 F1107 L1144 P1145 A1149 | I1033-I1103 HydrophobicContact CD1-CD1 4.43Å; I1033-I1103 HydrophobicContact CD1-CG1 4.32Å; I1033-I1103 HydrophobicContact CG1-CD1 4.45Å; F1095-I1103 HydrophobicContact CD1-CD1 4.15Å; F1095-I1103 HydrophobicContact CE1-CD1 3.7Å; E1099-I1103 HydrophobicContact CG-CD1 4.02Å; E1099-I1103 WeakPolarHBondContact O-CB 3.31Å; E1099-I1103 WeakPolarHBondContact O-CD1 3.36Å; E1099-I1103 VanDerWaalsContact O-CG1 3.26Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.43Å; E1099-I1103 PolarHBondContact O-N 3.21Å; C1100-I1103 PolarHBondContact O-N 2.92Å; I1101-I1103 VanDerWaalsContact C-N 3.33Å; I1101-I1103 PolarHBondContact O-N 3.04Å; I1103-I1106 PolarHBondContact O-N 3.11Å; I1103-F1107 WeakPolarHBondContact O-CB 3.35Å; I1103-F1107 PolarHBondContact O-N 3.04Å; I1103-L1144 HydrophobicContact CG2-CB 4.45Å; I1103-P1145 HydrophobicContact CD1-CG 3.99Å; I1103-A1149 HydrophobicContact CB-CB 3.84Å; I1103-A1149 HydrophobicContact CD1-CB 3.69Å; I1103-A1149 HydrophobicContact CG1-CB 4.38Å; I1103-A1149 HydrophobicContact CG2-CB 3.65Å |
| 1104 | E | 91.2 | Very high | 87.4 | Confident | 17.2 Ų | 17.2 | 25.2 Ų | 25.2 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.2 | -39.8 | 173.7 | -165.7 | 175.2 | 171.3 | 0 | 0 | 112 | M756 C1100 I1101 I1106 F1107 R1108 C1150 H1152 V1153 | M756-E1104 HydrophobicContact CE-CB 4.08Å; M756-E1104 VanDerWaalsContact CE-CD 3.47Å; M756-E1104 HydrophobicContact CE-CG 3.69Å; M756-E1104 WeakPolarHBondContact CE-OE1 3.49Å; C1100-E1104 WeakPolarHBondContact O-CB 3.36Å; C1100-E1104 PolarHBondContact O-N 3.25Å; I1101-E1104 PolarHBondContact O-N 3.27Å; E1104-I1106 VanDerWaalsContact C-N 3.34Å; E1104-I1106 PolarHBondContact O-N 2.85Å; E1104-F1107 WeakPolarHBondContact O-CB 3.38Å; E1104-F1107 PolarHBondContact O-N 3.16Å; E1104-F1107 VanDerWaalsContact O-N 3.13Å; E1104-R1108 HydrophobicContact CG-CG 4.25Å; E1104-R1108 WeakPolarHBondContact O-CB 3.44Å; E1104-R1108 VanDerWaalsContact O-CG 3.28Å; E1104-R1108 WeakPolarHBondContact O-CG 3.43Å; E1104-R1108 PolarHBondContact O-N 2.95Å; E1104-R1108 IonicContact OE1-CZ 3.52Å; E1104-R1108 VanDerWaalsContact OE1-CZ 3.26Å; E1104-R1108 IonicContact OE1-NE 3.1Å; E1104-R1108 PolarHBondContact OE1-NE 3.23Å; E1104-R1108 IonicContact OE1-NH2 3.35Å; E1104-R1108 PolarHBondContact OE1-NH2 3.1Å; E1104-C1150 HydrophobicContact CB-CB 4.07Å; E1104-C1150 HydrophobicContact CG-CB 4.13Å; E1104-H1152 VanDerWaalsContact CD-NE2 3.27Å; E1104-H1152 IonicContact OE1-CD2 3.87Å; E1104-H1152 IonicContact OE1-CE1 3.73Å; E1104-H1152 IonicContact OE1-NE2 3.3Å; E1104-H1152 PolarHBondContact OE1-NE2 3.04Å; E1104-H1152 IonicContact OE2-CD2 3.54Å; E1104-H1152 IonicContact OE2-CE1 3.15Å; E1104-H1152 PolarHBondContact OE2-CE1 3.25Å; E1104-H1152 VanDerWaalsContact OE2-CE1 3.26Å; E1104-H1152 IonicContact OE2-NE2 3.06Å; E1104-H1152 PolarHBondContact OE2-NE2 3.09Å; E1104-V1153 HydrophobicContact CG-CG1 3.92Å; E1104-V1153 HydrophobicContact CG-CG2 4.48Å |
| 1105 | L | 93 | Very high | 88.9 | Confident | 2.6 Ų | 2.6 | 22.1 Ų | 22.1 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.1 | -71.7 | 173.3 | 0 | 0 | 0 | 111.8 | F752 M756 R854 A857 L858 L861 L1025 I1101 D1102 F1107 R1108 L1109 | F752-L1105 HydrophobicContact CE1-CD1 3.87Å; F752-L1105 HydrophobicContact CE1-CD2 4.37Å; F752-L1105 HydrophobicContact CE1-CG 4.42Å; F752-L1105 HydrophobicContact CZ-CD1 3.89Å; M756-L1105 HydrophobicContact CE-CD2 4.37Å; R854-L1105 HydrophobicContact CB-CD1 4.46Å; R854-L1105 HydrophobicContact CG-CD1 4.2Å; A857-L1105 HydrophobicContact CB-CB 4.29Å; A857-L1105 HydrophobicContact CB-CD1 4.12Å; A857-L1105 HydrophobicContact CB-CD2 4.02Å; A857-L1105 HydrophobicContact CB-CG 4.39Å; L858-L1105 HydrophobicContact CD2-CD2 4.06Å; L861-L1105 HydrophobicContact CD1-CD2 4.14Å; L1025-L1105 HydrophobicContact CD1-CB 4.15Å; I1101-L1105 HydrophobicContact CG2-CD1 4.05Å; I1101-L1105 HydrophobicContact CG2-CG 4.4Å; I1101-L1105 WeakPolarHBondContact O-CB 3.36Å; I1101-L1105 VanDerWaalsContact O-CG 3.31Å; I1101-L1105 WeakPolarHBondContact O-CG 3.33Å; I1101-L1105 PolarHBondContact O-N 2.99Å; D1102-L1105 WeakPolarHBondContact O-CB 3.47Å; D1102-L1105 PolarHBondContact O-N 3.32Å; L1105-F1107 VanDerWaalsContact C-N 3.34Å; L1105-F1107 PolarHBondContact O-N 2.96Å; L1105-R1108 PolarHBondContact O-N 3.08Å; L1105-L1109 WeakPolarHBondContact O-CB 3.43Å; L1105-L1109 VanDerWaalsContact O-CG 3.3Å; L1105-L1109 WeakPolarHBondContact O-CG 3.36Å; L1105-L1109 PolarHBondContact O-N 3.05Å |
| 1106 | I | 93.3 | Very high | 90 | Very high | 1.8 Ų | 1.8 | 21 Ų | 21 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.1 | -62.2 | 158.8 | 0 | 0 | 0 | 110.2 | M1022 L1025 D1102 I1103 E1104 L1109 G1110 L1144 | M1022-I1106 HydrophobicContact CB-CG2 3.98Å; M1022-I1106 HydrophobicContact CE-CG2 3.52Å; M1022-I1106 VanDerWaalsContact CE-CG2 3.49Å; M1022-I1106 HydrophobicContact CG-CG2 3.89Å; L1025-I1106 HydrophobicContact CB-CD1 3.59Å; L1025-I1106 HydrophobicContact CB-CG1 3.5Å; L1025-I1106 VanDerWaalsContact CB-CG1 3.46Å; L1025-I1106 HydrophobicContact CD1-CG1 3.85Å; L1025-I1106 HydrophobicContact CG-CG1 4.33Å; D1102-I1106 VanDerWaalsContact O-CD1 3.32Å; D1102-I1106 WeakPolarHBondContact O-CD1 3.28Å; D1102-I1106 WeakPolarHBondContact O-CG1 3.33Å; D1102-I1106 PolarHBondContact O-N 3.19Å; I1103-I1106 PolarHBondContact O-N 3.11Å; E1104-I1106 VanDerWaalsContact C-N 3.34Å; E1104-I1106 PolarHBondContact O-N 2.85Å; I1106-L1109 PolarHBondContact O-N 2.94Å; I1106-G1110 PolarHBondContact O-N 3.24Å; I1106-L1144 HydrophobicContact CB-CD1 4.3Å; I1106-L1144 HydrophobicContact CB-CD2 4.34Å; I1106-L1144 HydrophobicContact CD1-CD2 4.48Å; I1106-L1144 HydrophobicContact CG2-CD1 3.82Å; I1106-L1144 HydrophobicContact CG2-CD2 3.68Å; I1106-L1144 HydrophobicContact CG2-CG 4.35Å |
| 1107 | F | 94.1 | Very high | 90.3 | Very high | 1.6 Ų | 1.6 | 17.3 Ų | 17.3 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.8 | -52.9 | 176.7 | 168.9 | -93.3 | 0 | 0 | 0 | 111.6 | I1103 E1104 L1105 L1109 G1110 F1111 L1141 L1144 I1146 V1153 I1157 Y1184 | I1103-F1107 WeakPolarHBondContact O-CB 3.35Å; I1103-F1107 PolarHBondContact O-N 3.04Å; E1104-F1107 WeakPolarHBondContact O-CB 3.38Å; E1104-F1107 PolarHBondContact O-N 3.16Å; E1104-F1107 VanDerWaalsContact O-N 3.13Å; L1105-F1107 VanDerWaalsContact C-N 3.34Å; L1105-F1107 PolarHBondContact O-N 2.96Å; F1107-L1109 VanDerWaalsContact C-N 3.32Å; F1107-L1109 PolarHBondContact O-N 3.17Å; F1107-G1110 PolarHBondContact O-N 3.1Å; F1107-F1111 HydrophobicContact CD1-CB 4.41Å; F1107-F1111 HydrophobicContact CE1-CB 4.14Å; F1107-F1111 AromaticContact CE1-CD1 3.64Å; F1107-F1111 HydrophobicContact CE1-CD1 4.09Å; F1107-F1111 HydrophobicContact CE1-CE1 4.34Å; F1107-F1111 AromaticContact CE1-CG 3.92Å; F1107-F1111 HydrophobicContact CE1-CG 4.04Å; F1107-F1111 HydrophobicContact CE2-CB 4.18Å; F1107-F1111 HydrophobicContact CE2-CD1 4.39Å; F1107-F1111 HydrophobicContact CE2-CD2 4.39Å; F1107-F1111 HydrophobicContact CE2-CG 4.16Å; F1107-F1111 HydrophobicContact CZ-CB 4Å; F1107-F1111 AromaticContact CZ-CD1 3.71Å; F1107-F1111 HydrophobicContact CZ-CD1 3.71Å; F1107-F1111 VanDerWaalsContact CZ-CD1 3.47Å; F1107-F1111 AromaticContact CZ-CD2 3.94Å; F1107-F1111 HydrophobicContact CZ-CD2 4.28Å; F1107-F1111 AromaticContact CZ-CE1 3.95Å; F1107-F1111 HydrophobicContact CZ-CE1 4.18Å; F1107-F1111 HydrophobicContact CZ-CE2 4.45Å; F1107-F1111 AromaticContact CZ-CG 3.7Å; F1107-F1111 HydrophobicContact CZ-CG 3.77Å; F1107-F1111 HydrophobicContact CZ-CZ 4.41Å; F1107-F1111 WeakPolarHBondContact O-CB 3.38Å; F1107-F1111 PolarHBondContact O-N 3.33Å; F1107-L1141 HydrophobicContact CB-CD1 4.47Å; F1107-L1141 HydrophobicContact CD2-CD1 3.95Å; F1107-L1141 HydrophobicContact CE2-CD1 4.5Å; F1107-L1141 HydrophobicContact CG-CD1 4.45Å; F1107-L1144 HydrophobicContact CB-CD1 4.03Å; F1107-I1146 HydrophobicContact CD2-CD1 3.78Å; F1107-I1146 HydrophobicContact CD2-CG1 4.43Å; F1107-I1146 HydrophobicContact CE2-CD1 4.27Å; F1107-V1153 HydrophobicContact CD1-CB 4.07Å; F1107-V1153 HydrophobicContact CD1-CG1 3.75Å; F1107-V1153 VanDerWaalsContact CD1-CG1 3.49Å; F1107-V1153 HydrophobicContact CD1-CG2 4.06Å; F1107-V1153 HydrophobicContact CD2-CG1 3.96Å; F1107-V1153 HydrophobicContact CD2-CG2 4.33Å; F1107-V1153 HydrophobicContact CE1-CB 3.74Å; F1107-V1153 VanDerWaalsContact CE1-CB 3.5Å; F1107-V1153 HydrophobicContact CE1-CG1 3.64Å; F1107-V1153 HydrophobicContact CE1-CG2 3.88Å; F1107-V1153 HydrophobicContact CE2-CG1 3.65Å; F1107-V1153 HydrophobicContact CE2-CG2 4.1Å; F1107-V1153 HydrophobicContact CG-CG1 3.92Å; F1107-V1153 HydrophobicContact CG-CG2 4.27Å; F1107-V1153 HydrophobicContact CZ-CB 3.96Å; F1107-V1153 HydrophobicContact CZ-CG1 3.28Å; F1107-V1153 HydrophobicContact CZ-CG2 3.8Å; F1107-I1157 HydrophobicContact CE2-CD1 4.16Å; F1107-I1157 HydrophobicContact CE2-CG1 4.24Å; F1107-I1157 HydrophobicContact CZ-CD1 4.32Å; F1107-I1157 HydrophobicContact CZ-CG1 4.05Å; F1107-Y1184 HydrophobicContact CE2-CE1 4.2Å; F1107-Y1184 WeakPolarHBondContact CE2-OH 3.38Å |
| 1108 | R | 93.9 | Very high | 90.3 | Very high | 36.2 Ų | 36.2 | 12.9 Ų | 12.9 | 14% | 0.137 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | -176.4 | -68.2 | -102 | 179.7 | -163.2 | 4.5 | 111.7 | M756 F759 L861 E1104 L1105 F1111 C1112 S1156 | M756-R1108 HydrophobicContact CE-CG 3.65Å; F759-R1108 VanDerWaalsContact CB-NH1 3.32Å; F759-R1108 HydrophobicContact CD2-CG 4.3Å; F759-R1108 HydrophobicContact CE1-CB 4.03Å; F759-R1108 HydrophobicContact CE1-CG 4.11Å; F759-R1108 HydrophobicContact CE2-CB 4.32Å; F759-R1108 HydrophobicContact CE2-CG 3.66Å; F759-R1108 HydrophobicContact CZ-CB 3.69Å; F759-R1108 HydrophobicContact CZ-CG 3.56Å; L861-R1108 HydrophobicContact CD1-CB 4.22Å; L861-R1108 HydrophobicContact CD2-CB 4.08Å; E1104-R1108 HydrophobicContact CG-CG 4.25Å; E1104-R1108 WeakPolarHBondContact O-CB 3.44Å; E1104-R1108 VanDerWaalsContact O-CG 3.28Å; E1104-R1108 WeakPolarHBondContact O-CG 3.43Å; E1104-R1108 PolarHBondContact O-N 2.95Å; E1104-R1108 IonicContact OE1-CZ 3.52Å; E1104-R1108 VanDerWaalsContact OE1-CZ 3.26Å; E1104-R1108 IonicContact OE1-NE 3.1Å; E1104-R1108 PolarHBondContact OE1-NE 3.23Å; E1104-R1108 IonicContact OE1-NH2 3.35Å; E1104-R1108 PolarHBondContact OE1-NH2 3.1Å; L1105-R1108 PolarHBondContact O-N 3.08Å; R1108-F1111 PolarHBondContact O-N 3.1Å; R1108-C1112 VanDerWaalsContact O-CB 3.26Å; R1108-C1112 WeakPolarHBondContact O-CB 3.39Å; R1108-C1112 PolarHBondContact O-N 3.01Å; R1108-C1112 VanDerWaalsContact O-N 3.09Å; R1108-S1156 PolarHBondContact NH1-OG 3.17Å |
| 1109 | L | 93.4 | Very high | 90.3 | Very high | 2.2 Ų | 2.2 | 9.6 Ų | 9.6 | 1% | 0.012 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63 | -50.8 | 176.3 | -73.9 | 173.2 | 0 | 0 | 0 | 112.1 | A857 L860 L861 I1018 I1021 M1022 L1105 I1106 F1107 F1111 C1112 A1113 | A857-L1109 HydrophobicContact CB-CD1 3.74Å; A857-L1109 HydrophobicContact CB-CG 4.43Å; L860-L1109 HydrophobicContact CB-CD2 4Å; L860-L1109 HydrophobicContact CD1-CD2 4.46Å; L861-L1109 HydrophobicContact CD1-CD2 4.48Å; L861-L1109 HydrophobicContact CD2-CD2 3.91Å; L861-L1109 HydrophobicContact CD2-CG 4.39Å; L861-L1109 HydrophobicContact CG-CD2 3.82Å; L861-L1109 HydrophobicContact CG-CG 4.4Å; I1018-L1109 HydrophobicContact CG1-CD2 4.37Å; I1018-L1109 HydrophobicContact CG2-CB 4.09Å; I1021-L1109 HydrophobicContact CB-CD1 4.46Å; I1021-L1109 HydrophobicContact CG2-CD1 3.71Å; M1022-L1109 HydrophobicContact CG-CB 4.39Å; M1022-L1109 HydrophobicContact CG-CD1 4.5Å; L1105-L1109 WeakPolarHBondContact O-CB 3.43Å; L1105-L1109 VanDerWaalsContact O-CG 3.3Å; L1105-L1109 WeakPolarHBondContact O-CG 3.36Å; L1105-L1109 PolarHBondContact O-N 3.05Å; I1106-L1109 PolarHBondContact O-N 2.94Å; F1107-L1109 VanDerWaalsContact C-N 3.32Å; F1107-L1109 PolarHBondContact O-N 3.17Å; L1109-F1111 PolarHBondContact O-N 3.2Å; L1109-C1112 WeakPolarHBondContact O-CB 3.42Å; L1109-C1112 PolarHBondContact O-N 3.29Å; L1109-A1113 WeakPolarHBondContact O-CB 3.41Å; L1109-A1113 PolarHBondContact O-N 3.18Å |
| 1110 | G | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I1106 F1107 A1113 L1114 L1141 | I1106-G1110 PolarHBondContact O-N 3.24Å; F1107-G1110 PolarHBondContact O-N 3.1Å; G1110-A1113 CarbonylContact O-C 3.53Å; G1110-A1113 WeakPolarHBondContact O-CA 3.46Å; G1110-A1113 WeakPolarHBondContact O-CB 3.42Å; G1110-A1113 PolarHBondContact O-N 3.25Å; G1110-A1113 VanDerWaalsContact O-N 3.15Å; G1110-L1114 WeakPolarHBondContact O-CG 3.44Å; G1110-L1114 PolarHBondContact O-N 2.98Å; G1110-L1141 VanDerWaalsContact C-CD1 3.5Å; G1110-L1141 WeakPolarHBondContact O-CD1 3.48Å |
| 1111 | F | 93.6 | Very high | 90.5 | Very high | 3.8 Ų | 3.8 | 8 Ų | 8 | 2% | 0.017 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -68.9 | -39.6 | 177.3 | -167 | -128 | 0 | 0 | 0 | 111.8 | A762 F1107 R1108 L1109 A1113 L1114 K1115 L1141 I1157 E1160 L1181 Y1184 L1185 | A762-F1111 HydrophobicContact CB-CD1 3.55Å; A762-F1111 HydrophobicContact CB-CE1 3.73Å; A762-F1111 HydrophobicContact CB-CG 4.17Å; A762-F1111 HydrophobicContact CB-CZ 4.46Å; F1107-F1111 HydrophobicContact CD1-CB 4.41Å; F1107-F1111 HydrophobicContact CE1-CB 4.14Å; F1107-F1111 AromaticContact CE1-CD1 3.64Å; F1107-F1111 HydrophobicContact CE1-CD1 4.09Å; F1107-F1111 HydrophobicContact CE1-CE1 4.34Å; F1107-F1111 AromaticContact CE1-CG 3.92Å; F1107-F1111 HydrophobicContact CE1-CG 4.04Å; F1107-F1111 HydrophobicContact CE2-CB 4.18Å; F1107-F1111 HydrophobicContact CE2-CD1 4.39Å; F1107-F1111 HydrophobicContact CE2-CD2 4.39Å; F1107-F1111 HydrophobicContact CE2-CG 4.16Å; F1107-F1111 HydrophobicContact CZ-CB 4Å; F1107-F1111 AromaticContact CZ-CD1 3.71Å; F1107-F1111 HydrophobicContact CZ-CD1 3.71Å; F1107-F1111 VanDerWaalsContact CZ-CD1 3.47Å; F1107-F1111 AromaticContact CZ-CD2 3.94Å; F1107-F1111 HydrophobicContact CZ-CD2 4.28Å; F1107-F1111 AromaticContact CZ-CE1 3.95Å; F1107-F1111 HydrophobicContact CZ-CE1 4.18Å; F1107-F1111 HydrophobicContact CZ-CE2 4.45Å; F1107-F1111 AromaticContact CZ-CG 3.7Å; F1107-F1111 HydrophobicContact CZ-CG 3.77Å; F1107-F1111 HydrophobicContact CZ-CZ 4.41Å; F1107-F1111 WeakPolarHBondContact O-CB 3.38Å; F1107-F1111 PolarHBondContact O-N 3.33Å; R1108-F1111 PolarHBondContact O-N 3.1Å; L1109-F1111 PolarHBondContact O-N 3.2Å; F1111-A1113 VanDerWaalsContact C-N 3.3Å; F1111-A1113 PolarHBondContact O-N 3.1Å; F1111-L1114 PolarHBondContact O-N 3.08Å; F1111-K1115 WeakPolarHBondContact O-CG 3.48Å; F1111-K1115 PolarHBondContact O-N 3.13Å; F1111-L1141 HydrophobicContact CB-CD2 4.35Å; F1111-L1141 HydrophobicContact CD2-CD2 4.39Å; F1111-I1157 HydrophobicContact CZ-CG1 4.42Å; F1111-E1160 HydrophobicContact CE1-CB 4.17Å; F1111-E1160 HydrophobicContact CE1-CG 4.32Å; F1111-E1160 HydrophobicContact CE2-CG 4.39Å; F1111-E1160 HydrophobicContact CZ-CB 3.64Å; F1111-E1160 HydrophobicContact CZ-CG 3.73Å; F1111-L1181 HydrophobicContact CD2-CD1 4.09Å; F1111-L1181 HydrophobicContact CE2-CD1 3.68Å; F1111-L1181 HydrophobicContact CZ-CD1 4.41Å; F1111-Y1184 HydrophobicContact CD2-CD1 4.05Å; F1111-Y1184 AromaticContact CD2-CE1 3.92Å; F1111-Y1184 HydrophobicContact CD2-CE1 3.92Å; F1111-Y1184 AromaticContact CE2-CD1 3.98Å; F1111-Y1184 HydrophobicContact CE2-CD1 4.01Å; F1111-Y1184 AromaticContact CE2-CE1 3.99Å; F1111-Y1184 HydrophobicContact CE2-CE1 4.03Å; F1111-L1185 HydrophobicContact CE2-CD2 3.82Å; F1111-L1185 HydrophobicContact CZ-CD2 3.94Å |
| 1112 | C | 91.9 | Very high | 90.3 | Very high | 5.2 Ų | 5.2 | 8.6 Ų | 8.6 | 4% | 0.035 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 169.3 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | R1108 L1109 L1114 K1115 F1116 | R1108-C1112 VanDerWaalsContact O-CB 3.26Å; R1108-C1112 WeakPolarHBondContact O-CB 3.39Å; R1108-C1112 PolarHBondContact O-N 3.01Å; R1108-C1112 VanDerWaalsContact O-N 3.09Å; L1109-C1112 WeakPolarHBondContact O-CB 3.42Å; L1109-C1112 PolarHBondContact O-N 3.29Å; C1112-L1114 VanDerWaalsContact C-N 3.33Å; C1112-L1114 PolarHBondContact O-N 3.04Å; C1112-K1115 PolarHBondContact O-N 3.29Å; C1112-K1115 VanDerWaalsContact O-N 3.09Å; C1112-F1116 PolarHBondContact O-N 3.07Å |
| 1113 | A | 92.5 | Very high | 90.2 | Very high | 7.4 Ų | 7.4 | 9.2 Ų | 9.2 | 6% | 0.061 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.1 | -32.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1015 I1018 L1109 G1110 F1111 K1115 F1116 L1137 | L1015-A1113 HydrophobicContact CD2-CB 3.72Å; I1018-A1113 HydrophobicContact CD1-CB 4.14Å; I1018-A1113 HydrophobicContact CG2-CB 4.31Å; L1109-A1113 WeakPolarHBondContact O-CB 3.41Å; L1109-A1113 PolarHBondContact O-N 3.18Å; G1110-A1113 CarbonylContact O-C 3.53Å; G1110-A1113 WeakPolarHBondContact O-CA 3.46Å; G1110-A1113 WeakPolarHBondContact O-CB 3.42Å; G1110-A1113 PolarHBondContact O-N 3.25Å; G1110-A1113 VanDerWaalsContact O-N 3.15Å; F1111-A1113 VanDerWaalsContact C-N 3.3Å; F1111-A1113 PolarHBondContact O-N 3.1Å; A1113-K1115 VanDerWaalsContact C-N 3.29Å; A1113-K1115 PolarHBondContact O-N 3.08Å; A1113-F1116 VanDerWaalsContact O-CB 3.26Å; A1113-F1116 WeakPolarHBondContact O-CB 3.4Å; A1113-F1116 PolarHBondContact O-N 3.36Å; A1113-L1137 HydrophobicContact CB-CD1 4.01Å |
| 1114 | L | 91.4 | Very high | 90.1 | Very high | 15.2 Ų | 15.2 | 10.6 Ų | 10.6 | 8% | 0.08 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -71.5 | -22.8 | 173.4 | -69.2 | -171.7 | 0 | 0 | 0 | 113.7 | G1110 F1111 C1112 F1116 L1138 L1141 N1180 L1181 Y1184 | G1110-L1114 WeakPolarHBondContact O-CG 3.44Å; G1110-L1114 PolarHBondContact O-N 2.98Å; F1111-L1114 PolarHBondContact O-N 3.08Å; C1112-L1114 VanDerWaalsContact C-N 3.33Å; C1112-L1114 PolarHBondContact O-N 3.04Å; L1114-F1116 VanDerWaalsContact C-N 3.34Å; L1114-L1138 HydrophobicContact CD1-CD1 4.01Å; L1114-L1138 HydrophobicContact CD2-CB 4.08Å; L1114-L1141 HydrophobicContact CD1-CD1 3.44Å; L1114-L1141 VanDerWaalsContact CD1-CD1 3.44Å; L1114-L1141 HydrophobicContact CD1-CD2 3.53Å; L1114-L1141 HydrophobicContact CD2-CD1 4.41Å; L1114-L1141 HydrophobicContact CG-CD1 3.62Å; L1114-L1141 HydrophobicContact CG-CD2 4.25Å; L1114-N1180 HydrophobicContact CD2-CB 4.16Å; L1114-L1181 HydrophobicContact CB-CB 4.34Å; L1114-L1181 HydrophobicContact CB-CD1 4.11Å; L1114-Y1184 HydrophobicContact CD1-CD1 4.44Å; L1114-Y1184 HydrophobicContact CD1-CG 4.03Å |
| 1115 | K | 88.2 | Confident | 90.1 | Very high | 35.4 Ų | 35.4 | 12.9 Ų | 12.9 | 15% | 0.154 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -87.5 | -7.3 | 174.6 | -151.9 | 171.6 | -178 | -176.6 | 0 | 113.6 | A762 H763 F1111 C1112 A1113 E1160 L1181 | A762-K1115 HydrophobicContact CB-CB 4.24Å; A762-K1115 HydrophobicContact CB-CD 3.78Å; H763-K1115 PolarHBondContact CD2-NZ 3.14Å; H763-K1115 VanDerWaalsContact CD2-NZ 3.28Å; H763-K1115 VanDerWaalsContact NE2-CD 3.32Å; H763-K1115 WeakPolarHBondContact NE2-CD 3.26Å; H763-K1115 WeakPolarHBondContact NE2-CE 3.39Å; H763-K1115 PolarHBondContact NE2-NZ 3.17Å; F1111-K1115 WeakPolarHBondContact O-CG 3.48Å; F1111-K1115 PolarHBondContact O-N 3.13Å; C1112-K1115 PolarHBondContact O-N 3.29Å; C1112-K1115 VanDerWaalsContact O-N 3.09Å; A1113-K1115 VanDerWaalsContact C-N 3.29Å; A1113-K1115 PolarHBondContact O-N 3.08Å; K1115-E1160 VanDerWaalsContact CD-OE1 3.31Å; K1115-E1160 WeakPolarHBondContact CD-OE1 3.35Å; K1115-E1160 WeakPolarHBondContact CE-OE1 3.24Å; K1115-E1160 IonicContact NZ-OE1 2.99Å; K1115-E1160 PolarHBondContact NZ-OE1 3.01Å; K1115-E1160 IonicContact NZ-OE2 3.06Å; K1115-E1160 PolarHBondContact NZ-OE2 3.27Å; K1115-L1181 HydrophobicContact CB-CD2 4.19Å; K1115-L1181 HydrophobicContact CG-CD1 4.43Å; K1115-L1181 HydrophobicContact CG-CD2 4.17Å |
| 1116 | F | 87.4 | Confident | 90 | Very high | 7.6 Ų | 7.6 | 14.4 Ų | 14.4 | 3% | 0.033 | 8% | 0.077 | C | C | . | . | trans | -54.1 | 128 | -172.4 | 176.6 | -109.5 | 0 | 0 | 0 | 113.5 | F867 I868 C871 A1011 W1014 L1015 C1112 A1113 L1114 R1118 | F867-F1116 AromaticContact CD1-CE2 3.89Å; F867-F1116 HydrophobicContact CD1-CE2 3.99Å; F867-F1116 HydrophobicContact CE1-CD2 4.37Å; F867-F1116 AromaticContact CE1-CE2 3.48Å; F867-F1116 HydrophobicContact CE1-CE2 3.48Å; F867-F1116 VanDerWaalsContact CE1-CE2 3.45Å; F867-F1116 AromaticContact CE1-CZ 3.9Å; F867-F1116 HydrophobicContact CE1-CZ 4.02Å; F867-F1116 HydrophobicContact CZ-CE2 4.31Å; F867-F1116 HydrophobicContact CZ-CZ 4.41Å; I868-F1116 HydrophobicContact CG1-CD2 4.36Å; C871-F1116 HydrophobicContact CB-CE2 3.87Å; C871-F1116 HydrophobicContact CB-CZ 3.95Å; C871-F1116 VanDerWaalsContact SG-CZ 3.58Å; A1011-F1116 HydrophobicContact CB-CE1 3.75Å; A1011-F1116 HydrophobicContact CB-CZ 3.67Å; W1014-F1116 HydrophobicContact CE3-CD2 4.06Å; W1014-F1116 HydrophobicContact CE3-CE2 4.26Å; W1014-F1116 HydrophobicContact CH2-CD2 4.33Å; W1014-F1116 HydrophobicContact CZ3-CB 4.25Å; W1014-F1116 AromaticContact CZ3-CD2 3.61Å; W1014-F1116 HydrophobicContact CZ3-CD2 3.61Å; W1014-F1116 HydrophobicContact CZ3-CE2 4.25Å; W1014-F1116 HydrophobicContact CZ3-CG 4.04Å; L1015-F1116 HydrophobicContact CD1-CD1 4.15Å; L1015-F1116 HydrophobicContact CD1-CE1 4.33Å; C1112-F1116 PolarHBondContact O-N 3.07Å; A1113-F1116 VanDerWaalsContact O-CB 3.26Å; A1113-F1116 WeakPolarHBondContact O-CB 3.4Å; A1113-F1116 PolarHBondContact O-N 3.36Å; L1114-F1116 VanDerWaalsContact C-N 3.34Å; F1116-R1118 VanDerWaalsContact C-N 3.31Å; F1116-R1118 HydrophobicContact CD1-CB 4.15Å; F1116-R1118 HydrophobicContact CE1-CB 4.3Å; F1116-R1118 HydrophobicContact CE1-CG 4.5Å; F1116-R1118 PolarHBondContact O-N 3.23Å | ||
| 1117 | P | 84.5 | Confident | 90 | Very high | 9.4 Ų | 9.4 | 14.3 Ų | 14.3 | 6% | 0.061 | 8% | 0.077 | C | C | . | . | trans | -74.6 | 84.1 | 177.6 | 30.6 | -34.8 | 0 | 0 | 0 | 110.6 | I868 C871 E872 P1119 H1171 | I868-P1117 HydrophobicContact CB-CG 4.43Å; I868-P1117 HydrophobicContact CG2-CG 3.89Å; I868-P1117 VanDerWaalsContact O-CG 3.29Å; I868-P1117 WeakPolarHBondContact O-CG 3.29Å; C871-P1117 HydrophobicContact CB-CG 4.21Å; E872-P1117 HydrophobicContact CB-CB 4.03Å; E872-P1117 HydrophobicContact CB-CG 4.07Å; P1117-P1119 WeakPolarHBondContact O-CD 3.19Å; P1117-H1171 VanDerWaalsContact CA-CE1 3.49Å; P1117-H1171 WeakPolarHBondContact CA-CE1 3.28Å; P1117-H1171 VanDerWaalsContact CB-CE1 3.5Å; P1117-H1171 WeakPolarHBondContact CB-CE1 3.44Å | ||
| 1118 | R | 84.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 15.7 Ų | 15.7 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 120.8 | -174.7 | -170.5 | -174.5 | -172.1 | -99.4 | -0.1 | 112.9 | F1116 E1127 L1130 E1134 H1176 F1309 | F1116-R1118 VanDerWaalsContact C-N 3.31Å; F1116-R1118 HydrophobicContact CD1-CB 4.15Å; F1116-R1118 HydrophobicContact CE1-CB 4.3Å; F1116-R1118 HydrophobicContact CE1-CG 4.5Å; F1116-R1118 PolarHBondContact O-N 3.23Å; R1118-E1127 IonicContact CZ-OE1 3.31Å; R1118-E1127 IonicContact CZ-OE2 2.9Å; R1118-E1127 VanDerWaalsContact NH1-CD 3.28Å; R1118-E1127 IonicContact NH1-OE1 3.37Å; R1118-E1127 PolarHBondContact NH1-OE1 3.06Å; R1118-E1127 IonicContact NH1-OE2 2.98Å; R1118-E1127 PolarHBondContact NH1-OE2 3.49Å; R1118-E1127 VanDerWaalsContact NH1-OE2 3.14Å; R1118-E1127 PolarHBondContact NH2-O 3.24Å; R1118-E1127 IonicContact NH2-OE1 3.35Å; R1118-E1127 PolarHBondContact NH2-OE1 3.12Å; R1118-E1127 IonicContact NH2-OE2 3.92Å; R1118-E1127 PolarHBondContact NH2-OE2 2.73Å; R1118-L1130 HydrophobicContact CG-CD2 3.91Å; R1118-L1130 HydrophobicContact CG-CG 4.38Å; R1118-E1134 WeakPolarHBondContact CD-OE1 3.33Å; R1118-E1134 WeakPolarHBondContact CG-OE1 3.41Å; R1118-E1134 IonicContact CZ-OE1 3.52Å; R1118-E1134 IonicContact CZ-OE2 3.5Å; R1118-E1134 IonicContact NE-OE1 3.14Å; R1118-E1134 PolarHBondContact NE-OE1 3.22Å; R1118-E1134 IonicContact NE-OE2 3.02Å; R1118-E1134 PolarHBondContact NE-OE2 3.07Å; R1118-E1134 IonicContact NH1-OE1 2.7Å; R1118-E1134 IonicContact NH2-OE1 3.26Å; R1118-E1134 PolarHBondContact NH2-OE1 3.45Å; R1118-E1134 IonicContact NH2-OE2 2.68Å; R1118-H1176 HydrophobicContact CB-CB 4.32Å; R1118-H1176 VanDerWaalsContact CB-CD2 3.45Å; R1118-H1176 WeakPolarHBondContact CB-CD2 3.32Å; R1118-H1176 VanDerWaalsContact CD-CD2 3.47Å; R1118-H1176 WeakPolarHBondContact CD-CD2 3.39Å; R1118-H1176 VanDerWaalsContact CD-NE2 3.25Å; R1118-H1176 WeakPolarHBondContact CD-NE2 3.33Å; R1118-F1309 HydrophobicContact CG-CE2 4.42Å |
| 1119 | P | 85.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 139.3 | 176.3 | 29.8 | -33.7 | 0 | 0 | 0 | 111.8 | S875 I878 A1011 P1117 C1121 | S875-P1119 WeakPolarHBondContact OG-CA 3.37Å; S875-P1119 WeakPolarHBondContact OG-CB 3.19Å; I878-P1119 HydrophobicContact CD1-CB 4.3Å; A1011-P1119 HydrophobicContact CB-CG 4.16Å; P1117-P1119 WeakPolarHBondContact O-CD 3.19Å; P1119-C1121 PolarHBondContact O-N 3.21Å |
| 1120 | P | 89.1 | Confident | 89.7 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 126.1 | 179 | 28.6 | -33.2 | 0 | 0 | 0 | 111.6 | I878 V879 S1004 I1175 V1301 F1306 F1309 | I878-P1120 HydrophobicContact CB-CG 4.48Å; I878-P1120 HydrophobicContact CG2-CG 4.15Å; V879-P1120 HydrophobicContact CG2-CG 3.79Å; S1004-P1120 PolarHBondContact OG-O 3.19Å; P1120-I1175 HydrophobicContact CG-CG2 4.4Å; P1120-V1301 HydrophobicContact CB-CG1 4.18Å; P1120-V1301 HydrophobicContact CG-CG1 4.47Å; P1120-V1301 HydrophobicContact CG-CG2 4.46Å; P1120-F1306 HydrophobicContact CB-CB 4.39Å; P1120-F1306 HydrophobicContact CB-CD1 3.79Å; P1120-F1306 HydrophobicContact CB-CE1 4.11Å; P1120-F1306 HydrophobicContact CB-CG 4.07Å; P1120-F1306 HydrophobicContact CG-CD1 4.39Å; P1120-F1306 HydrophobicContact CG-CE1 4.32Å; P1120-F1306 HydrophobicContact CG-CZ 4.44Å; P1120-F1306 WeakPolarHBondContact O-CE1 3.32Å; P1120-F1309 VanDerWaalsContact CA-CD2 3.46Å; P1120-F1309 HydrophobicContact CB-CD1 4.16Å; P1120-F1309 HydrophobicContact CB-CD2 3.92Å; P1120-F1309 HydrophobicContact CB-CE1 4.2Å; P1120-F1309 HydrophobicContact CB-CE2 3.95Å; P1120-F1309 HydrophobicContact CB-CG 4.03Å; P1120-F1309 HydrophobicContact CB-CZ 4.09Å |
| 1121 | C | 88.3 | Confident | 89.7 | Confident | 3.2 Ų | 3.2 | 17.6 Ų | 17.6 | 2% | 0.022 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -97.8 | 133.4 | -178.3 | -158.3 | 0 | 0 | 0 | 0 | 112.8 | S1004 T1008 P1119 S1123 E1127 | S1004-C1121 WeakPolarHBondContact OG-CA 3.4Å; T1008-C1121 VanDerWaalsContact CB-SG 3.58Å; T1008-C1121 HydrophobicContact CG2-CB 3.85Å; T1008-C1121 VanDerWaalsContact OG1-CB 3.28Å; T1008-C1121 WeakPolarHBondContact OG1-CB 3.32Å; T1008-C1121 PolarHBondContact OG1-SG 3.25Å; P1119-C1121 PolarHBondContact O-N 3.21Å; C1121-S1123 VanDerWaalsContact C-N 3.3Å; C1121-S1123 PolarHBondContact O-N 3.04Å; C1121-S1123 PolarHBondContact SG-N 3.15Å; C1121-S1123 VanDerWaalsContact SG-N 3.4Å; C1121-E1127 WeakPolarHBondContact CA-OE2 3.44Å; C1121-E1127 HydrophobicContact CB-CB 4.14Å; C1121-E1127 VanDerWaalsContact CB-OE2 3.24Å; C1121-E1127 WeakPolarHBondContact CB-OE2 3.25Å; C1121-E1127 PolarHBondContact N-OE2 3.21Å; C1121-E1127 VanDerWaalsContact N-OE2 3.13Å |
| 1122 | C | 86.2 | Confident | 89.6 | Confident | 25.6 Ų | 25.6 | 19.6 Ų | 19.6 | 17% | 0.173 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -86.6 | 8.7 | 170.2 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | C582 L996 K1001 S1004 F1306 | C582-C1122 PolarHBondContact SG-O 3.36Å; C582-C1122 VanDerWaalsContact SG-SG 3.67Å; L996-C1122 HydrophobicContact CD2-CB 4.4Å; K1001-C1122 WeakPolarHBondContact CG-SG 3.3Å; S1004-C1122 PolarHBondContact OG-N 2.97Å; S1004-C1122 VanDerWaalsContact OG-N 3.13Å; C1122-F1306 HydrophobicContact CB-CD1 4.32Å; C1122-F1306 HydrophobicContact CB-CE1 4.1Å |
| 1123 | S | 88.7 | Confident | 89.6 | Confident | 13.2 Ų | 13.2 | 19.6 Ų | 19.6 | 9% | 0.092 | 11% | 0.107 | C | C | . | . | trans | -112.5 | 111.8 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | P581 C1121 L1125 L1126 E1127 | P581-S1123 WeakPolarHBondContact O-CA 3.45Å; P581-S1123 VanDerWaalsContact O-CB 3.24Å; P581-S1123 WeakPolarHBondContact O-CB 3.32Å; P581-S1123 PolarHBondContact O-OG 3.06Å; C1121-S1123 VanDerWaalsContact C-N 3.3Å; C1121-S1123 PolarHBondContact O-N 3.04Å; C1121-S1123 PolarHBondContact SG-N 3.15Å; C1121-S1123 VanDerWaalsContact SG-N 3.4Å; S1123-L1125 VanDerWaalsContact C-N 3.29Å; S1123-L1125 PolarHBondContact O-N 3.11Å; S1123-L1125 VanDerWaalsContact O-N 3.15Å; S1123-L1126 PolarHBondContact O-N 3.26Å; S1123-L1126 VanDerWaalsContact O-N 3.07Å; S1123-E1127 WeakPolarHBondContact O-CB 3.39Å; S1123-E1127 PolarHBondContact O-N 3.1Å | ||
| 1124 | P | 89.2 | Confident | 89.6 | Confident | 29.6 Ų | 29.6 | 20 Ų | 20 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.8 | -36.6 | -175.9 | -28.8 | 36.3 | 0 | 0 | 0 | 114.8 | I523 P581 F584 L1126 E1127 V1128 Y1308 | I523-P1124 HydrophobicContact CD1-CB 3.69Å; P581-P1124 WeakPolarHBondContact O-CD 3.23Å; F584-P1124 HydrophobicContact CD2-CB 4.46Å; F584-P1124 HydrophobicContact CD2-CG 4.26Å; F584-P1124 HydrophobicContact CE2-CB 4.21Å; F584-P1124 HydrophobicContact CE2-CG 4.33Å; P1124-L1126 VanDerWaalsContact C-N 3.29Å; P1124-L1126 PolarHBondContact O-N 2.92Å; P1124-E1127 WeakPolarHBondContact O-CB 3.37Å; P1124-E1127 PolarHBondContact O-N 3.47Å; P1124-V1128 WeakPolarHBondContact O-CB 3.33Å; P1124-V1128 VanDerWaalsContact O-CG2 3.3Å; P1124-V1128 WeakPolarHBondContact O-CG2 3.28Å; P1124-V1128 PolarHBondContact O-N 3.02Å; P1124-V1128 VanDerWaalsContact O-N 3.13Å; P1124-Y1308 HydrophobicContact CB-CD1 4.03Å; P1124-Y1308 HydrophobicContact CB-CD2 3.83Å; P1124-Y1308 HydrophobicContact CB-CE1 4.07Å; P1124-Y1308 HydrophobicContact CB-CE2 3.74Å; P1124-Y1308 HydrophobicContact CB-CG 4.06Å; P1124-Y1308 HydrophobicContact CG-CD1 4.48Å; P1124-Y1308 HydrophobicContact CG-CD2 3.7Å; P1124-Y1308 HydrophobicContact CG-CE1 4.26Å; P1124-Y1308 HydrophobicContact CG-CE2 3.47Å; P1124-Y1308 HydrophobicContact CG-CG 4.41Å |
| 1125 | L | 90.6 | Very high | 89.6 | Confident | 66.2 Ų | 66.2 | 19.8 Ų | 19.8 | 35% | 0.347 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -71 | -41.5 | -178.8 | -82.4 | 139.6 | 0 | 0 | 0 | 112.4 | I523 V577 F584 C597 V600 W601 S1123 E1127 V1128 K1129 | I523-L1125 HydrophobicContact CG2-CD2 3.87Å; V577-L1125 HydrophobicContact CG1-CD1 3.28Å; V577-L1125 HydrophobicContact CG1-CG 4.43Å; F584-L1125 HydrophobicContact CE2-CD1 4.24Å; F584-L1125 HydrophobicContact CE2-CG 4.2Å; F584-L1125 HydrophobicContact CZ-CD1 4.13Å; F584-L1125 HydrophobicContact CZ-CD2 4.1Å; F584-L1125 HydrophobicContact CZ-CG 4.04Å; C597-L1125 HydrophobicContact CB-CD2 4.28Å; V600-L1125 HydrophobicContact CG1-CD1 4.38Å; W601-L1125 HydrophobicContact CH2-CB 3.85Å; W601-L1125 HydrophobicContact CH2-CD2 3.87Å; W601-L1125 HydrophobicContact CH2-CG 4.36Å; W601-L1125 HydrophobicContact CZ2-CB 4.31Å; W601-L1125 HydrophobicContact CZ2-CD2 3.66Å; W601-L1125 VanDerWaalsContact CZ2-CD2 3.48Å; W601-L1125 HydrophobicContact CZ2-CG 4.43Å; S1123-L1125 VanDerWaalsContact C-N 3.29Å; S1123-L1125 PolarHBondContact O-N 3.11Å; S1123-L1125 VanDerWaalsContact O-N 3.15Å; L1125-E1127 VanDerWaalsContact C-N 3.32Å; L1125-E1127 PolarHBondContact O-N 3.15Å; L1125-V1128 PolarHBondContact O-N 2.94Å; L1125-K1129 VanDerWaalsContact O-CB 3.31Å; L1125-K1129 WeakPolarHBondContact O-CB 3.39Å; L1125-K1129 PolarHBondContact O-N 3.04Å |
| 1126 | L | 91.5 | Very high | 89.8 | Confident | 32.8 Ų | 32.8 | 19.1 Ų | 19.1 | 17% | 0.172 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.8 | -39.6 | 177.8 | -60.5 | -180 | 0 | 0 | 0 | 110.7 | I1005 T1008 K1009 I1012 S1123 P1124 K1129 L1130 | I1005-L1126 HydrophobicContact CG2-CD1 4.14Å; T1008-L1126 HydrophobicContact CG2-CB 3.81Å; T1008-L1126 HydrophobicContact CG2-CD1 4.47Å; K1009-L1126 HydrophobicContact CG-CD1 4.32Å; I1012-L1126 HydrophobicContact CD1-CB 4Å; I1012-L1126 HydrophobicContact CD1-CD2 4.02Å; S1123-L1126 PolarHBondContact O-N 3.26Å; S1123-L1126 VanDerWaalsContact O-N 3.07Å; P1124-L1126 VanDerWaalsContact C-N 3.29Å; P1124-L1126 PolarHBondContact O-N 2.92Å; L1126-K1129 PolarHBondContact O-N 3.17Å; L1126-L1130 VanDerWaalsContact O-CB 3.26Å; L1126-L1130 WeakPolarHBondContact O-CB 3.38Å; L1126-L1130 PolarHBondContact O-N 3.16Å |
| 1127 | E | 92 | Very high | 90 | Very high | 1.6 Ų | 1.6 | 18.8 Ų | 18.8 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 176 | -172.1 | 50 | -125.1 | 0 | 0 | 111.9 | R1118 C1121 S1123 P1124 L1125 L1130 F1131 Y1308 F1309 | R1118-E1127 IonicContact CZ-OE1 3.31Å; R1118-E1127 IonicContact CZ-OE2 2.9Å; R1118-E1127 VanDerWaalsContact NH1-CD 3.28Å; R1118-E1127 IonicContact NH1-OE1 3.37Å; R1118-E1127 PolarHBondContact NH1-OE1 3.06Å; R1118-E1127 IonicContact NH1-OE2 2.98Å; R1118-E1127 PolarHBondContact NH1-OE2 3.49Å; R1118-E1127 VanDerWaalsContact NH1-OE2 3.14Å; R1118-E1127 PolarHBondContact NH2-O 3.24Å; R1118-E1127 IonicContact NH2-OE1 3.35Å; R1118-E1127 PolarHBondContact NH2-OE1 3.12Å; R1118-E1127 IonicContact NH2-OE2 3.92Å; R1118-E1127 PolarHBondContact NH2-OE2 2.73Å; C1121-E1127 WeakPolarHBondContact CA-OE2 3.44Å; C1121-E1127 HydrophobicContact CB-CB 4.14Å; C1121-E1127 VanDerWaalsContact CB-OE2 3.24Å; C1121-E1127 WeakPolarHBondContact CB-OE2 3.25Å; C1121-E1127 PolarHBondContact N-OE2 3.21Å; C1121-E1127 VanDerWaalsContact N-OE2 3.13Å; S1123-E1127 WeakPolarHBondContact O-CB 3.39Å; S1123-E1127 PolarHBondContact O-N 3.1Å; P1124-E1127 WeakPolarHBondContact O-CB 3.37Å; P1124-E1127 PolarHBondContact O-N 3.47Å; L1125-E1127 VanDerWaalsContact C-N 3.32Å; L1125-E1127 PolarHBondContact O-N 3.15Å; E1127-L1130 PolarHBondContact O-N 3.26Å; E1127-F1131 WeakPolarHBondContact O-CB 3.4Å; E1127-F1131 PolarHBondContact O-N 3.04Å; E1127-F1131 VanDerWaalsContact O-N 3.09Å; E1127-Y1308 VanDerWaalsContact CG-CB 3.5Å; E1127-F1309 VanDerWaalsContact CD-CA 3.47Å; E1127-F1309 HydrophobicContact CG-CB 4.37Å; E1127-F1309 WeakPolarHBondContact OE1-CA 3.35Å; E1127-F1309 WeakPolarHBondContact OE1-CB 3.35Å |
| 1128 | V | 91.8 | Very high | 90.5 | Very high | 31 Ų | 31 | 18.4 Ų | 18.4 | 19% | 0.188 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 175.4 | 171 | 0 | 0 | 0 | 0 | 112.2 | F520 I523 L524 P1124 L1125 L1130 F1131 V1132 | F520-V1128 HydrophobicContact CD2-CG2 4.01Å; F520-V1128 HydrophobicContact CE2-CG2 3.99Å; I523-V1128 HydrophobicContact CB-CG2 4.23Å; I523-V1128 HydrophobicContact CG2-CB 3.95Å; I523-V1128 HydrophobicContact CG2-CG1 3.99Å; I523-V1128 HydrophobicContact CG2-CG2 3.92Å; L524-V1128 HydrophobicContact CB-CG1 4.25Å; L524-V1128 HydrophobicContact CD1-CG1 3.89Å; P1124-V1128 WeakPolarHBondContact O-CB 3.33Å; P1124-V1128 VanDerWaalsContact O-CG2 3.3Å; P1124-V1128 WeakPolarHBondContact O-CG2 3.28Å; P1124-V1128 PolarHBondContact O-N 3.02Å; P1124-V1128 VanDerWaalsContact O-N 3.13Å; L1125-V1128 PolarHBondContact O-N 2.94Å; V1128-L1130 VanDerWaalsContact C-N 3.31Å; V1128-L1130 PolarHBondContact O-N 3.18Å; V1128-F1131 PolarHBondContact O-N 3.1Å; V1128-V1132 HydrophobicContact CG1-CG2 4.43Å; V1128-V1132 WeakPolarHBondContact O-CG2 3.35Å; V1128-V1132 PolarHBondContact O-N 3.23Å |
| 1129 | K | 92.4 | Very high | 90.8 | Very high | 62.2 Ų | 62.2 | 19.2 Ų | 19.2 | 27% | 0.27 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.2 | -175 | 169.8 | -175.6 | 175.6 | 0 | 111.2 | Y527 W601 E604 I1012 D1016 L1125 L1126 V1132 I1133 | Y527-K1129 HydrophobicContact CE2-CB 4.23Å; Y527-K1129 HydrophobicContact CE2-CD 4.17Å; Y527-K1129 HydrophobicContact CE2-CG 4.03Å; W601-K1129 HydrophobicContact CH2-CB 4.24Å; W601-K1129 HydrophobicContact CH2-CD 4.45Å; W601-K1129 HydrophobicContact CZ3-CD 4.01Å; E604-K1129 IonicContact OE1-NZ 3.07Å; E604-K1129 IonicContact OE2-NZ 3.03Å; E604-K1129 PolarHBondContact OE2-NZ 3.08Å; I1012-K1129 HydrophobicContact CD1-CB 4.42Å; I1012-K1129 HydrophobicContact CD1-CG 4.44Å; I1012-K1129 HydrophobicContact CG2-CD 4.19Å; I1012-K1129 HydrophobicContact CG2-CG 4.39Å; D1016-K1129 IonicContact OD2-NZ 3.32Å; D1016-K1129 PolarHBondContact OD2-NZ 2.87Å; L1125-K1129 VanDerWaalsContact O-CB 3.31Å; L1125-K1129 WeakPolarHBondContact O-CB 3.39Å; L1125-K1129 PolarHBondContact O-N 3.04Å; L1126-K1129 PolarHBondContact O-N 3.17Å; K1129-V1132 PolarHBondContact O-N 3.24Å; K1129-I1133 HydrophobicContact CD-CD1 4.47Å; K1129-I1133 HydrophobicContact CG-CD1 4.19Å; K1129-I1133 VanDerWaalsContact O-CG1 3.31Å; K1129-I1133 WeakPolarHBondContact O-CG1 3.37Å; K1129-I1133 PolarHBondContact O-N 3.28Å; K1129-I1133 VanDerWaalsContact O-N 3.11Å |
| 1130 | L | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -48.1 | 177.8 | -177.6 | 52.9 | 0 | 0 | 0 | 111.6 | T1008 A1011 I1012 L1015 R1118 L1126 E1127 V1128 V1132 I1133 E1134 | T1008-L1130 HydrophobicContact CG2-CD2 4.03Å; A1011-L1130 HydrophobicContact CB-CD2 4.43Å; I1012-L1130 HydrophobicContact CD1-CB 4.34Å; I1012-L1130 HydrophobicContact CG1-CB 4.06Å; I1012-L1130 HydrophobicContact CG1-CD1 4.18Å; I1012-L1130 HydrophobicContact CG1-CD2 4.27Å; I1012-L1130 HydrophobicContact CG1-CG 4.41Å; L1015-L1130 HydrophobicContact CD1-CD1 3.36Å; R1118-L1130 HydrophobicContact CG-CD2 3.91Å; R1118-L1130 HydrophobicContact CG-CG 4.38Å; L1126-L1130 VanDerWaalsContact O-CB 3.26Å; L1126-L1130 WeakPolarHBondContact O-CB 3.38Å; L1126-L1130 PolarHBondContact O-N 3.16Å; E1127-L1130 PolarHBondContact O-N 3.26Å; V1128-L1130 VanDerWaalsContact C-N 3.31Å; V1128-L1130 PolarHBondContact O-N 3.18Å; L1130-V1132 VanDerWaalsContact C-N 3.31Å; L1130-V1132 PolarHBondContact O-N 3.06Å; L1130-I1133 PolarHBondContact O-N 3.17Å; L1130-I1133 VanDerWaalsContact O-N 3.09Å; L1130-E1134 WeakPolarHBondContact CD1-OE1 3.38Å; L1130-E1134 WeakPolarHBondContact CG-OE1 3.34Å; L1130-E1134 WeakPolarHBondContact O-CG 3.45Å; L1130-E1134 PolarHBondContact O-N 3.15Å; L1130-E1134 VanDerWaalsContact O-N 3.09Å |
| 1131 | F | 92.3 | Very high | 91.1 | Very high | 14.8 Ų | 14.8 | 22.5 Ų | 22.5 | 7% | 0.065 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.8 | -43 | 173.9 | 177.1 | -91.8 | 0 | 0 | 0 | 113.2 | F520 L524 E1127 V1128 I1133 E1134 I1135 T1238 G1312 T1315 Q1316 | F520-F1131 HydrophobicContact CZ-CD1 4.28Å; F520-F1131 HydrophobicContact CZ-CD2 4.49Å; F520-F1131 HydrophobicContact CZ-CE1 4.1Å; F520-F1131 HydrophobicContact CZ-CE2 4.34Å; F520-F1131 HydrophobicContact CZ-CG 4.46Å; F520-F1131 HydrophobicContact CZ-CZ 4.13Å; L524-F1131 HydrophobicContact CD1-CD1 3.66Å; L524-F1131 HydrophobicContact CD1-CE1 3.68Å; L524-F1131 HydrophobicContact CD2-CE1 3.86Å; L524-F1131 HydrophobicContact CG-CE1 4.45Å; E1127-F1131 WeakPolarHBondContact O-CB 3.4Å; E1127-F1131 PolarHBondContact O-N 3.04Å; E1127-F1131 VanDerWaalsContact O-N 3.09Å; V1128-F1131 PolarHBondContact O-N 3.1Å; F1131-I1133 VanDerWaalsContact C-N 3.31Å; F1131-I1133 PolarHBondContact O-N 2.96Å; F1131-E1134 WeakPolarHBondContact O-CB 3.28Å; F1131-E1134 PolarHBondContact O-N 3.44Å; F1131-I1135 HydrophobicContact CD1-CD1 3.68Å; F1131-I1135 HydrophobicContact CD1-CG1 4.12Å; F1131-I1135 HydrophobicContact CD2-CD1 4.28Å; F1131-I1135 HydrophobicContact CE1-CD1 3.36Å; F1131-I1135 VanDerWaalsContact CE1-CD1 3.42Å; F1131-I1135 HydrophobicContact CE1-CG1 4.11Å; F1131-I1135 HydrophobicContact CE2-CD1 4.08Å; F1131-I1135 HydrophobicContact CG-CD1 4.18Å; F1131-I1135 HydrophobicContact CZ-CD1 3.6Å; F1131-I1135 VanDerWaalsContact CZ-CD1 3.49Å; F1131-I1135 HydrophobicContact CZ-CG1 4.39Å; F1131-I1135 WeakPolarHBondContact O-CD1 3.34Å; F1131-I1135 WeakPolarHBondContact O-CG1 3.41Å; F1131-I1135 PolarHBondContact O-N 3.12Å; F1131-I1135 VanDerWaalsContact O-N 3.11Å; F1131-T1238 HydrophobicContact CZ-CG2 4.13Å; F1131-G1312 WeakPolarHBondContact CE2-O 3.4Å; F1131-T1315 HydrophobicContact CZ-CG2 4.11Å; F1131-Q1316 HydrophobicContact CE2-CG 3.89Å; F1131-Q1316 HydrophobicContact CZ-CG 4.32Å |
| 1132 | V | 92.1 | Very high | 91.2 | Very high | 46 Ų | 46 | 22.5 Ų | 22.5 | 28% | 0.279 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 112 | L524 Y527 R528 V1128 K1129 L1130 I1135 A1136 | L524-V1132 HydrophobicContact CD1-CG2 3.52Å; Y527-V1132 HydrophobicContact CD1-CB 4.04Å; Y527-V1132 HydrophobicContact CD1-CG1 3.75Å; Y527-V1132 HydrophobicContact CD1-CG2 3.94Å; Y527-V1132 HydrophobicContact CE1-CB 4.01Å; Y527-V1132 HydrophobicContact CE1-CG1 3.6Å; Y527-V1132 HydrophobicContact CE1-CG2 4.42Å; Y527-V1132 HydrophobicContact CG-CG2 4.47Å; R528-V1132 HydrophobicContact CG-CG2 4.4Å; V1128-V1132 HydrophobicContact CG1-CG2 4.43Å; V1128-V1132 WeakPolarHBondContact O-CG2 3.35Å; V1128-V1132 PolarHBondContact O-N 3.23Å; K1129-V1132 PolarHBondContact O-N 3.24Å; L1130-V1132 VanDerWaalsContact C-N 3.31Å; L1130-V1132 PolarHBondContact O-N 3.06Å; V1132-I1135 PolarHBondContact O-N 3.38Å; V1132-A1136 VanDerWaalsContact O-CB 3.26Å; V1132-A1136 WeakPolarHBondContact O-CB 3.36Å; V1132-A1136 PolarHBondContact O-N 3.16Å |
| 1133 | I | 91.8 | Very high | 91.2 | Very high | 5.4 Ų | 5.4 | 24.1 Ų | 24.1 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 175.5 | -69.9 | 165.3 | 0 | 0 | 0 | 110.8 | I1012 L1015 D1016 K1129 L1130 F1131 I1135 A1136 L1137 | I1012-I1133 HydrophobicContact CG2-CD1 4.1Å; L1015-I1133 HydrophobicContact CB-CG2 3.7Å; D1016-I1133 HydrophobicContact CB-CD1 4.34Å; K1129-I1133 HydrophobicContact CD-CD1 4.47Å; K1129-I1133 HydrophobicContact CG-CD1 4.19Å; K1129-I1133 VanDerWaalsContact O-CG1 3.31Å; K1129-I1133 WeakPolarHBondContact O-CG1 3.37Å; K1129-I1133 PolarHBondContact O-N 3.28Å; K1129-I1133 VanDerWaalsContact O-N 3.11Å; L1130-I1133 PolarHBondContact O-N 3.17Å; L1130-I1133 VanDerWaalsContact O-N 3.09Å; F1131-I1133 VanDerWaalsContact C-N 3.31Å; F1131-I1133 PolarHBondContact O-N 2.96Å; I1133-I1135 VanDerWaalsContact C-N 3.32Å; I1133-I1135 PolarHBondContact O-N 2.91Å; I1133-A1136 CarbonylContact O-C 3.43Å; I1133-A1136 WeakPolarHBondContact O-CB 3.11Å; I1133-A1136 PolarHBondContact O-N 3.11Å; I1133-A1136 VanDerWaalsContact O-N 3.15Å; I1133-L1137 HydrophobicContact CG2-CD1 3.79Å; I1133-L1137 HydrophobicContact CG2-CG 4.29Å; I1133-L1137 WeakPolarHBondContact O-CB 3.48Å; I1133-L1137 VanDerWaalsContact O-CG 3.28Å; I1133-L1137 WeakPolarHBondContact O-CG 3.34Å; I1133-L1137 PolarHBondContact O-N 3.11Å |
| 1134 | E | 92 | Very high | 91.1 | Very high | 15.2 Ų | 15.2 | 24.3 Ų | 24.3 | 7% | 0.071 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 176 | -71.6 | 156.1 | -148.3 | 0 | 0 | 112.5 | R1118 L1130 F1131 A1136 L1137 L1138 N1180 Q1316 | R1118-E1134 WeakPolarHBondContact CD-OE1 3.33Å; R1118-E1134 WeakPolarHBondContact CG-OE1 3.41Å; R1118-E1134 IonicContact CZ-OE1 3.52Å; R1118-E1134 IonicContact CZ-OE2 3.5Å; R1118-E1134 IonicContact NE-OE1 3.14Å; R1118-E1134 PolarHBondContact NE-OE1 3.22Å; R1118-E1134 IonicContact NE-OE2 3.02Å; R1118-E1134 PolarHBondContact NE-OE2 3.07Å; R1118-E1134 IonicContact NH1-OE1 2.7Å; R1118-E1134 IonicContact NH2-OE1 3.26Å; R1118-E1134 PolarHBondContact NH2-OE1 3.45Å; R1118-E1134 IonicContact NH2-OE2 2.68Å; L1130-E1134 WeakPolarHBondContact CD1-OE1 3.38Å; L1130-E1134 WeakPolarHBondContact CG-OE1 3.34Å; L1130-E1134 WeakPolarHBondContact O-CG 3.45Å; L1130-E1134 PolarHBondContact O-N 3.15Å; L1130-E1134 VanDerWaalsContact O-N 3.09Å; F1131-E1134 WeakPolarHBondContact O-CB 3.28Å; F1131-E1134 PolarHBondContact O-N 3.44Å; E1134-A1136 VanDerWaalsContact C-N 3.31Å; E1134-A1136 PolarHBondContact O-N 3.3Å; E1134-L1137 PolarHBondContact O-N 3.18Å; E1134-L1137 VanDerWaalsContact O-N 3.14Å; E1134-L1138 WeakPolarHBondContact O-CB 3.36Å; E1134-L1138 PolarHBondContact O-N 3.04Å; E1134-N1180 PolarHBondContact OE2-ND2 3.05Å; E1134-N1180 VanDerWaalsContact OE2-ND2 3.14Å; E1134-Q1316 PolarHBondContact OE2-NE2 3.07Å |
| 1135 | I | 92.1 | Very high | 91 | Very high | 10.8 Ų | 10.8 | 23.8 Ų | 23.8 | 6% | 0.055 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 178.1 | -68.9 | -160.1 | 0 | 0 | 0 | 111.4 | F1131 V1132 I1133 L1137 T1139 T1238 A1240 | F1131-I1135 HydrophobicContact CD1-CD1 3.68Å; F1131-I1135 HydrophobicContact CD1-CG1 4.12Å; F1131-I1135 HydrophobicContact CD2-CD1 4.28Å; F1131-I1135 HydrophobicContact CE1-CD1 3.36Å; F1131-I1135 VanDerWaalsContact CE1-CD1 3.42Å; F1131-I1135 HydrophobicContact CE1-CG1 4.11Å; F1131-I1135 HydrophobicContact CE2-CD1 4.08Å; F1131-I1135 HydrophobicContact CG-CD1 4.18Å; F1131-I1135 HydrophobicContact CZ-CD1 3.6Å; F1131-I1135 VanDerWaalsContact CZ-CD1 3.49Å; F1131-I1135 HydrophobicContact CZ-CG1 4.39Å; F1131-I1135 WeakPolarHBondContact O-CD1 3.34Å; F1131-I1135 WeakPolarHBondContact O-CG1 3.41Å; F1131-I1135 PolarHBondContact O-N 3.12Å; F1131-I1135 VanDerWaalsContact O-N 3.11Å; V1132-I1135 PolarHBondContact O-N 3.38Å; I1133-I1135 VanDerWaalsContact C-N 3.32Å; I1133-I1135 PolarHBondContact O-N 2.91Å; I1135-L1137 VanDerWaalsContact C-N 3.32Å; I1135-L1137 PolarHBondContact O-N 3.16Å; I1135-T1139 VanDerWaalsContact O-CB 3.32Å; I1135-T1139 WeakPolarHBondContact O-CB 3.38Å; I1135-T1139 PolarHBondContact O-N 3.09Å; I1135-T1139 PolarHBondContact O-OG1 3.24Å; I1135-T1238 HydrophobicContact CD1-CG2 4.29Å; I1135-T1238 WeakPolarHBondContact CD1-O 3.31Å; I1135-A1240 HydrophobicContact CD1-CB 4.38Å; I1135-A1240 HydrophobicContact CG2-CB 4.04Å |
| 1136 | A | 91 | Very high | 90.8 | Very high | 21.8 Ų | 21.8 | 20.7 Ų | 20.7 | 18% | 0.18 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71 | -25.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1132 I1133 E1134 R1140 | V1132-A1136 VanDerWaalsContact O-CB 3.26Å; V1132-A1136 WeakPolarHBondContact O-CB 3.36Å; V1132-A1136 PolarHBondContact O-N 3.16Å; I1133-A1136 CarbonylContact O-C 3.43Å; I1133-A1136 WeakPolarHBondContact O-CB 3.11Å; I1133-A1136 PolarHBondContact O-N 3.11Å; I1133-A1136 VanDerWaalsContact O-N 3.15Å; E1134-A1136 VanDerWaalsContact C-N 3.31Å; E1134-A1136 PolarHBondContact O-N 3.3Å; A1136-R1140 WeakPolarHBondContact O-CD 3.4Å; A1136-R1140 VanDerWaalsContact O-CG 3.3Å; A1136-R1140 WeakPolarHBondContact O-CG 3.34Å; A1136-R1140 PolarHBondContact O-N 3.13Å; A1136-R1140 PolarHBondContact O-NH1 3.28Å; A1136-R1140 VanDerWaalsContact O-NH1 3.08Å |
| 1137 | L | 93.3 | Very high | 90.4 | Very high | 1.2 Ų | 1.2 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -80.3 | -47.5 | 173.4 | -71.4 | 168.4 | 0 | 0 | 0 | 111.5 | L1015 I1018 R1019 M1022 A1113 I1133 E1134 I1135 T1139 R1140 L1141 | L1015-L1137 HydrophobicContact CB-CD1 4.33Å; L1015-L1137 HydrophobicContact CD2-CD1 4.01Å; I1018-L1137 HydrophobicContact CG2-CD2 3.96Å; R1019-L1137 HydrophobicContact CB-CD2 4.04Å; R1019-L1137 HydrophobicContact CG-CD2 4.45Å; M1022-L1137 HydrophobicContact CE-CD2 4.48Å; M1022-L1137 HydrophobicContact SD-CD2 3.52Å; M1022-L1137 VanDerWaalsContact SD-CD2 3.53Å; M1022-L1137 WeakPolarHBondContact SD-CD2 3.3Å; A1113-L1137 HydrophobicContact CB-CD1 4.01Å; I1133-L1137 HydrophobicContact CG2-CD1 3.79Å; I1133-L1137 HydrophobicContact CG2-CG 4.29Å; I1133-L1137 WeakPolarHBondContact O-CB 3.48Å; I1133-L1137 VanDerWaalsContact O-CG 3.28Å; I1133-L1137 WeakPolarHBondContact O-CG 3.34Å; I1133-L1137 PolarHBondContact O-N 3.11Å; E1134-L1137 PolarHBondContact O-N 3.18Å; E1134-L1137 VanDerWaalsContact O-N 3.14Å; I1135-L1137 VanDerWaalsContact C-N 3.32Å; I1135-L1137 PolarHBondContact O-N 3.16Å; L1137-T1139 VanDerWaalsContact C-N 3.29Å; L1137-T1139 PolarHBondContact O-N 3.09Å; L1137-R1140 PolarHBondContact O-N 3.13Å; L1137-R1140 VanDerWaalsContact O-N 3.13Å; L1137-L1141 WeakPolarHBondContact O-CB 3.41Å; L1137-L1141 WeakPolarHBondContact O-CG 3.29Å; L1137-L1141 PolarHBondContact O-N 3.09Å |
| 1138 | L | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -52 | -49.4 | 172.5 | 172.7 | 59.2 | 0 | 0 | 0 | 110.9 | L1114 E1134 R1140 L1141 C1142 N1180 T1183 Y1184 A1240 | L1114-L1138 HydrophobicContact CD1-CD1 4.01Å; L1114-L1138 HydrophobicContact CD2-CB 4.08Å; E1134-L1138 WeakPolarHBondContact O-CB 3.36Å; E1134-L1138 PolarHBondContact O-N 3.04Å; L1138-R1140 PolarHBondContact O-N 3.36Å; L1138-L1141 PolarHBondContact O-N 3.04Å; L1138-L1141 VanDerWaalsContact O-N 3.13Å; L1138-C1142 PolarHBondContact O-N 3.16Å; L1138-C1142 VanDerWaalsContact O-N 3.11Å; L1138-C1142 PolarHBondContact O-SG 3.13Å; L1138-C1142 VanDerWaalsContact O-SG 3.32Å; L1138-N1180 HydrophobicContact CD2-CB 4.14Å; L1138-T1183 HydrophobicContact CD2-CG2 4.43Å; L1138-Y1184 HydrophobicContact CD1-CD2 4.28Å; L1138-Y1184 HydrophobicContact CD1-CG 4.45Å; L1138-A1240 HydrophobicContact CD2-CB 3.81Å; L1138-A1240 HydrophobicContact CG-CB 4.37Å |
| 1139 | T | 91.1 | Very high | 89.6 | Confident | 23.4 Ų | 23.4 | 21.5 Ų | 21.5 | 14% | 0.144 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 178 | -59 | 0 | 0 | 0 | 0 | 111.6 | I1135 L1137 L1141 C1142 F1143 A1240 V1241 | I1135-T1139 VanDerWaalsContact O-CB 3.32Å; I1135-T1139 WeakPolarHBondContact O-CB 3.38Å; I1135-T1139 PolarHBondContact O-N 3.09Å; I1135-T1139 PolarHBondContact O-OG1 3.24Å; L1137-T1139 VanDerWaalsContact C-N 3.29Å; L1137-T1139 PolarHBondContact O-N 3.09Å; T1139-L1141 VanDerWaalsContact C-N 3.3Å; T1139-L1141 PolarHBondContact O-N 3.05Å; T1139-C1142 PolarHBondContact O-N 3.07Å; T1139-F1143 HydrophobicContact CG2-CD2 4.04Å; T1139-F1143 HydrophobicContact CG2-CE2 3.78Å; T1139-F1143 VanDerWaalsContact O-CD2 3.26Å; T1139-F1143 WeakPolarHBondContact O-CD2 3.38Å; T1139-F1143 PolarHBondContact O-N 3.32Å; T1139-A1240 WeakPolarHBondContact OG1-CA 3.3Å; T1139-V1241 HydrophobicContact CG2-CB 3.92Å; T1139-V1241 HydrophobicContact CG2-CG2 4.37Å; T1139-V1241 PolarHBondContact OG1-N 3.38Å |
| 1140 | R | 89.3 | Confident | 89.3 | Confident | 69.2 Ų | 69.2 | 18.5 Ų | 18.5 | 26% | 0.261 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -59.8 | -38 | 177.2 | -81.7 | 171.1 | 177.8 | 65.3 | 0.9 | 112.5 | M1022 E1023 A1136 L1137 L1138 C1142 F1143 | M1022-R1140 HydrophobicContact CE-CB 4.03Å; E1023-R1140 IonicContact OE2-CZ 3.21Å; E1023-R1140 IonicContact OE2-NE 3.35Å; E1023-R1140 IonicContact OE2-NH2 3.26Å; E1023-R1140 PolarHBondContact OE2-NH2 3.23Å; A1136-R1140 WeakPolarHBondContact O-CD 3.4Å; A1136-R1140 VanDerWaalsContact O-CG 3.3Å; A1136-R1140 WeakPolarHBondContact O-CG 3.34Å; A1136-R1140 PolarHBondContact O-N 3.13Å; A1136-R1140 PolarHBondContact O-NH1 3.28Å; A1136-R1140 VanDerWaalsContact O-NH1 3.08Å; L1137-R1140 PolarHBondContact O-N 3.13Å; L1137-R1140 VanDerWaalsContact O-N 3.13Å; L1138-R1140 PolarHBondContact O-N 3.36Å; R1140-C1142 VanDerWaalsContact C-N 3.34Å; R1140-C1142 PolarHBondContact O-N 2.87Å; R1140-F1143 PolarHBondContact O-N 2.94Å; R1140-F1143 VanDerWaalsContact O-N 3.15Å |
| 1141 | L | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.9 | -32.3 | -179.9 | -151.4 | 82.9 | 0 | 0 | 0 | 112.7 | M1022 F1107 G1110 F1111 L1114 L1137 L1138 T1139 F1143 L1144 Y1184 | M1022-L1141 HydrophobicContact CE-CD2 4.19Å; M1022-L1141 HydrophobicContact CE-CG 4.1Å; F1107-L1141 HydrophobicContact CB-CD1 4.47Å; F1107-L1141 HydrophobicContact CD2-CD1 3.95Å; F1107-L1141 HydrophobicContact CE2-CD1 4.5Å; F1107-L1141 HydrophobicContact CG-CD1 4.45Å; G1110-L1141 VanDerWaalsContact C-CD1 3.5Å; G1110-L1141 WeakPolarHBondContact O-CD1 3.48Å; F1111-L1141 HydrophobicContact CB-CD2 4.35Å; F1111-L1141 HydrophobicContact CD2-CD2 4.39Å; L1114-L1141 HydrophobicContact CD1-CD1 3.44Å; L1114-L1141 VanDerWaalsContact CD1-CD1 3.44Å; L1114-L1141 HydrophobicContact CD1-CD2 3.53Å; L1114-L1141 HydrophobicContact CD2-CD1 4.41Å; L1114-L1141 HydrophobicContact CG-CD1 3.62Å; L1114-L1141 HydrophobicContact CG-CD2 4.25Å; L1137-L1141 WeakPolarHBondContact O-CB 3.41Å; L1137-L1141 WeakPolarHBondContact O-CG 3.29Å; L1137-L1141 PolarHBondContact O-N 3.09Å; L1138-L1141 PolarHBondContact O-N 3.04Å; L1138-L1141 VanDerWaalsContact O-N 3.13Å; T1139-L1141 VanDerWaalsContact C-N 3.3Å; T1139-L1141 PolarHBondContact O-N 3.05Å; L1141-F1143 VanDerWaalsContact C-N 3.29Å; L1141-F1143 PolarHBondContact O-N 2.88Å; L1141-L1144 HydrophobicContact CD1-CD1 3.89Å; L1141-L1144 HydrophobicContact CD2-CD1 4.01Å; L1141-L1144 PolarHBondContact O-N 2.75Å; L1141-Y1184 HydrophobicContact CB-CD2 4.38Å; L1141-Y1184 HydrophobicContact CB-CE2 4.02Å; L1141-Y1184 HydrophobicContact CD2-CD1 3.91Å; L1141-Y1184 HydrophobicContact CD2-CD2 3.81Å; L1141-Y1184 HydrophobicContact CD2-CE1 3.71Å; L1141-Y1184 HydrophobicContact CD2-CE2 3.62Å; L1141-Y1184 HydrophobicContact CD2-CG 3.96Å; L1141-Y1184 HydrophobicContact CG-CD2 4.11Å; L1141-Y1184 HydrophobicContact CG-CE1 4.27Å; L1141-Y1184 HydrophobicContact CG-CE2 3.52Å; L1141-Y1184 VanDerWaalsContact CG-CE2 3.48Å |
| 1142 | C | 90.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.6 | -28.4 | 173.4 | -69.3 | 0 | 0 | 0 | 0 | 113.3 | L1138 T1139 R1140 L1144 A1243 | L1138-C1142 PolarHBondContact O-N 3.16Å; L1138-C1142 VanDerWaalsContact O-N 3.11Å; L1138-C1142 PolarHBondContact O-SG 3.13Å; L1138-C1142 VanDerWaalsContact O-SG 3.32Å; T1139-C1142 PolarHBondContact O-N 3.07Å; R1140-C1142 VanDerWaalsContact C-N 3.34Å; R1140-C1142 PolarHBondContact O-N 2.87Å; C1142-L1144 VanDerWaalsContact C-N 3.31Å; C1142-L1144 PolarHBondContact O-N 3.1Å; C1142-L1144 VanDerWaalsContact O-N 3.13Å; C1142-A1243 CarbonylContact C-O 3.59Å; C1142-A1243 HydrophobicContact CB-CB 4.42Å; C1142-A1243 WeakPolarHBondContact CB-O 3.35Å; C1142-A1243 CarbonylContact O-C 3.39Å; C1142-A1243 VanDerWaalsContact O-O 3.11Å |
| 1143 | F | 87.2 | Confident | 88.8 | Confident | 59.6 Ų | 59.6 | 22.7 Ų | 22.7 | 26% | 0.261 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.2 | 179.3 | -85.8 | -72.4 | 0 | 0 | 0 | 115.2 | F1034 T1139 R1140 L1141 F1230 Y1233 V1241 A1243 | F1034-F1143 HydrophobicContact CD1-CD1 4.47Å; F1034-F1143 HydrophobicContact CE1-CB 4.47Å; F1034-F1143 HydrophobicContact CE1-CD1 4.23Å; F1034-F1143 HydrophobicContact CE1-CE1 4.36Å; F1034-F1143 HydrophobicContact CE1-CG 4.31Å; T1139-F1143 HydrophobicContact CG2-CD2 4.04Å; T1139-F1143 HydrophobicContact CG2-CE2 3.78Å; T1139-F1143 VanDerWaalsContact O-CD2 3.26Å; T1139-F1143 WeakPolarHBondContact O-CD2 3.38Å; T1139-F1143 PolarHBondContact O-N 3.32Å; R1140-F1143 PolarHBondContact O-N 2.94Å; R1140-F1143 VanDerWaalsContact O-N 3.15Å; L1141-F1143 VanDerWaalsContact C-N 3.29Å; L1141-F1143 PolarHBondContact O-N 2.88Å; F1143-F1230 AromaticContact CZ-CE1 3.86Å; F1143-F1230 HydrophobicContact CZ-CE1 4.14Å; F1143-Y1233 HydrophobicContact CE1-CE2 4.2Å; F1143-Y1233 HydrophobicContact CZ-CE2 4.41Å; F1143-V1241 HydrophobicContact CE2-CB 4.46Å; F1143-V1241 HydrophobicContact CE2-CG1 4.48Å; F1143-V1241 HydrophobicContact CZ-CG1 4.36Å; F1143-A1243 HydrophobicContact CD1-CB 3.48Å; F1143-A1243 VanDerWaalsContact CD1-CB 3.48Å; F1143-A1243 HydrophobicContact CD2-CB 4.07Å; F1143-A1243 HydrophobicContact CE1-CB 3.44Å; F1143-A1243 VanDerWaalsContact CE1-CB 3.44Å; F1143-A1243 HydrophobicContact CE2-CB 4.03Å; F1143-A1243 HydrophobicContact CG-CB 3.79Å; F1143-A1243 HydrophobicContact CZ-CB 3.72Å |
| 1144 | L | 87.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 23.1 Ų | 23.1 | 9% | 0.089 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -85.2 | 133.7 | -175.2 | -56.8 | -179.3 | 0 | 0 | 0 | 112.6 | I1103 I1106 F1107 L1141 C1142 I1146 | I1103-L1144 HydrophobicContact CG2-CB 4.45Å; I1106-L1144 HydrophobicContact CB-CD1 4.3Å; I1106-L1144 HydrophobicContact CB-CD2 4.34Å; I1106-L1144 HydrophobicContact CD1-CD2 4.48Å; I1106-L1144 HydrophobicContact CG2-CD1 3.82Å; I1106-L1144 HydrophobicContact CG2-CD2 3.68Å; I1106-L1144 HydrophobicContact CG2-CG 4.35Å; F1107-L1144 HydrophobicContact CB-CD1 4.03Å; L1141-L1144 HydrophobicContact CD1-CD1 3.89Å; L1141-L1144 HydrophobicContact CD2-CD1 4.01Å; L1141-L1144 PolarHBondContact O-N 2.75Å; C1142-L1144 VanDerWaalsContact C-N 3.31Å; C1142-L1144 PolarHBondContact O-N 3.1Å; C1142-L1144 VanDerWaalsContact O-N 3.13Å; L1144-I1146 HydrophobicContact CB-CD1 4.21Å; L1144-I1146 HydrophobicContact CB-CG1 3.8Å; L1144-I1146 PolarHBondContact O-N 3.14Å |
| 1145 | P | 85.2 | Confident | 88.6 | Confident | 17.8 Ų | 17.8 | 25.9 Ų | 25.9 | 12% | 0.116 | 14% | 0.14 | C | C | . | . | trans | -79.4 | 58.4 | 176.2 | 34.6 | -36.2 | 0 | 0 | 0 | 111.7 | F1095 I1103 H1147 I1148 A1149 | F1095-P1145 HydrophobicContact CE1-CG 4.26Å; F1095-P1145 HydrophobicContact CZ-CB 4.44Å; F1095-P1145 HydrophobicContact CZ-CG 4.17Å; I1103-P1145 HydrophobicContact CD1-CG 3.99Å; P1145-H1147 PolarHBondContact O-N 3.23Å; P1145-H1147 VanDerWaalsContact O-N 3.16Å; P1145-I1148 HydrophobicContact CB-CD1 4.32Å; P1145-I1148 HydrophobicContact CB-CG1 4.45Å; P1145-I1148 PolarHBondContact O-N 3.03Å; P1145-I1148 VanDerWaalsContact O-N 3.1Å; P1145-A1149 PolarHBondContact O-N 3.26Å; P1145-A1149 VanDerWaalsContact O-N 3.11Å | ||
| 1146 | I | 87.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.4 | -36.5 | -173.7 | -65.8 | 165.5 | 0 | 0 | 0 | 111.9 | F1107 L1144 I1148 C1150 V1153 Y1184 L1249 | F1107-I1146 HydrophobicContact CD2-CD1 3.78Å; F1107-I1146 HydrophobicContact CD2-CG1 4.43Å; F1107-I1146 HydrophobicContact CE2-CD1 4.27Å; L1144-I1146 HydrophobicContact CB-CD1 4.21Å; L1144-I1146 HydrophobicContact CB-CG1 3.8Å; L1144-I1146 PolarHBondContact O-N 3.14Å; I1146-I1148 VanDerWaalsContact C-N 3.26Å; I1146-I1148 PolarHBondContact O-N 3.2Å; I1146-C1150 CarbonylContact O-C 3.41Å; I1146-C1150 VanDerWaalsContact O-C 3.28Å; I1146-C1150 PolarHBondContact O-N 3.19Å; I1146-C1150 VanDerWaalsContact O-N 3.09Å; I1146-V1153 HydrophobicContact CG2-CB 4.32Å; I1146-V1153 HydrophobicContact CG2-CG1 4.38Å; I1146-V1153 HydrophobicContact CG2-CG2 3.41Å; I1146-V1153 VanDerWaalsContact CG2-CG2 3.45Å; I1146-Y1184 VanDerWaalsContact CD1-OH 3.24Å; I1146-Y1184 WeakPolarHBondContact CD1-OH 3.38Å; I1146-L1249 HydrophobicContact CB-CD1 4.17Å; I1146-L1249 HydrophobicContact CG2-CD1 4.16Å; I1146-L1249 HydrophobicContact CG2-CD2 4.07Å |
| 1147 | H | 83 | Confident | 88.6 | Confident | 44.8 Ų | 44.8 | 25.2 Ų | 25.2 | 21% | 0.207 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -24.8 | -179.5 | 61.9 | -98.1 | 0 | 0 | 0 | 114.1 | P1145 L1249 D1252 I1253 | P1145-H1147 PolarHBondContact O-N 3.23Å; P1145-H1147 VanDerWaalsContact O-N 3.16Å; H1147-L1249 HydrophobicContact CB-CD1 3.93Å; H1147-D1252 HydrophobicContact CB-CB 3.55Å; H1147-D1252 IonicContact CE1-OD2 3.54Å; H1147-D1252 IonicContact ND1-OD2 3.18Å; H1147-D1252 PolarHBondContact ND1-OD2 3.09Å; H1147-I1253 HydrophobicContact CB-CG1 3.77Å |
| 1148 | I | 82.2 | Confident | 88.7 | Confident | 29.4 Ų | 29.4 | 27.5 Ų | 27.5 | 15% | 0.151 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -92.5 | -51.8 | 176.7 | -45.1 | -178.3 | 0 | 0 | 0 | 110.2 | I1036 F1095 P1145 I1146 Y1256 | I1036-I1148 HydrophobicContact CD1-CD1 3.99Å; F1095-I1148 HydrophobicContact CD2-CB 4.37Å; F1095-I1148 HydrophobicContact CD2-CG2 3.54Å; F1095-I1148 VanDerWaalsContact CD2-CG2 3.43Å; F1095-I1148 HydrophobicContact CE1-CG2 4.45Å; F1095-I1148 HydrophobicContact CE2-CB 4.18Å; F1095-I1148 HydrophobicContact CE2-CD1 4.05Å; F1095-I1148 HydrophobicContact CE2-CG2 3.53Å; F1095-I1148 VanDerWaalsContact CE2-CG2 3.45Å; F1095-I1148 HydrophobicContact CG-CG2 4.28Å; F1095-I1148 HydrophobicContact CZ-CB 4.45Å; F1095-I1148 HydrophobicContact CZ-CD1 4.35Å; F1095-I1148 HydrophobicContact CZ-CG2 4.25Å; P1145-I1148 HydrophobicContact CB-CD1 4.32Å; P1145-I1148 HydrophobicContact CB-CG1 4.45Å; P1145-I1148 PolarHBondContact O-N 3.03Å; P1145-I1148 VanDerWaalsContact O-N 3.1Å; I1146-I1148 VanDerWaalsContact C-N 3.26Å; I1146-I1148 PolarHBondContact O-N 3.2Å; I1148-Y1256 HydrophobicContact CG1-CD2 4.4Å; I1148-Y1256 HydrophobicContact CG1-CE2 4.38Å; I1148-Y1256 HydrophobicContact CG2-CD2 4.41Å; I1148-Y1256 HydrophobicContact CG2-CE1 4.07Å; I1148-Y1256 HydrophobicContact CG2-CE2 3.85Å |
| 1149 | A | 83.7 | Confident | 88.5 | Confident | 8.6 Ų | 8.6 | 29.5 Ų | 29.5 | 7% | 0.071 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -82.2 | -35.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1095 C1100 I1103 P1145 | F1095-A1149 HydrophobicContact CD1-CB 4.41Å; F1095-A1149 HydrophobicContact CE1-CB 4.4Å; C1100-A1149 WeakPolarHBondContact CB-O 3.41Å; C1100-A1149 PolarHBondContact SG-O 2.91Å; I1103-A1149 HydrophobicContact CB-CB 3.84Å; I1103-A1149 HydrophobicContact CD1-CB 3.69Å; I1103-A1149 HydrophobicContact CG1-CB 4.38Å; I1103-A1149 HydrophobicContact CG2-CB 3.65Å; P1145-A1149 PolarHBondContact O-N 3.26Å; P1145-A1149 VanDerWaalsContact O-N 3.11Å |
| 1150 | C | 87.7 | Confident | 88.6 | Confident | 0.2 Ų | 0.2 | 28.6 Ų | 28.6 | 0% | 0.001 | 15% | 0.152 | C | C | . | . | trans | -150 | 56.5 | -173.4 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | E1104 I1146 H1152 V1153 | E1104-C1150 HydrophobicContact CB-CB 4.07Å; E1104-C1150 HydrophobicContact CG-CB 4.13Å; I1146-C1150 CarbonylContact O-C 3.41Å; I1146-C1150 VanDerWaalsContact O-C 3.28Å; I1146-C1150 PolarHBondContact O-N 3.19Å; I1146-C1150 VanDerWaalsContact O-N 3.09Å; C1150-H1152 PolarHBondContact O-N 3.13Å; C1150-V1153 HydrophobicContact CB-CG1 3.99Å; C1150-V1153 HydrophobicContact CB-CG2 3.79Å; C1150-V1153 WeakPolarHBondContact O-CB 3.24Å; C1150-V1153 WeakPolarHBondContact O-CG1 3.35Å; C1150-V1153 VanDerWaalsContact O-CG2 3.31Å; C1150-V1153 WeakPolarHBondContact O-CG2 3.33Å; C1150-V1153 PolarHBondContact O-N 3.15Å | ||
| 1151 | P | 86.6 | Confident | 88.7 | Confident | 48 Ų | 48 | 25.3 Ų | 25.3 | 31% | 0.312 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -59 | -22.8 | -172.7 | 24.6 | -36 | 0 | 0 | 0 | 114.3 | V1153 I1154 I1253 | P1151-V1153 VanDerWaalsContact C-N 3.28Å; P1151-V1153 PolarHBondContact O-N 3.27Å; P1151-I1154 VanDerWaalsContact O-CG2 3.23Å; P1151-I1154 WeakPolarHBondContact O-CG2 3.35Å; P1151-I1154 PolarHBondContact O-N 3.17Å; P1151-I1253 HydrophobicContact CB-CB 4.46Å; P1151-I1253 HydrophobicContact CB-CD1 3.88Å; P1151-I1253 HydrophobicContact CB-CG1 3.83Å; P1151-I1253 HydrophobicContact CB-CG2 3.8Å; P1151-I1253 WeakPolarHBondContact O-CD1 3.3Å |
| 1152 | H | 87.8 | Confident | 88.7 | Confident | 98.6 Ų | 98.6 | 31.6 Ų | 31.6 | 46% | 0.456 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -63 | -25.3 | 175.3 | 54.8 | -70.7 | 0 | 0 | 0 | 113.8 | E1104 C1150 I1154 S1155 | E1104-H1152 VanDerWaalsContact CD-NE2 3.27Å; E1104-H1152 IonicContact OE1-CD2 3.87Å; E1104-H1152 IonicContact OE1-CE1 3.73Å; E1104-H1152 IonicContact OE1-NE2 3.3Å; E1104-H1152 PolarHBondContact OE1-NE2 3.04Å; E1104-H1152 IonicContact OE2-CD2 3.54Å; E1104-H1152 IonicContact OE2-CE1 3.15Å; E1104-H1152 PolarHBondContact OE2-CE1 3.25Å; E1104-H1152 VanDerWaalsContact OE2-CE1 3.26Å; E1104-H1152 IonicContact OE2-NE2 3.06Å; E1104-H1152 PolarHBondContact OE2-NE2 3.09Å; C1150-H1152 PolarHBondContact O-N 3.13Å; H1152-I1154 PolarHBondContact O-N 3.08Å; H1152-I1154 VanDerWaalsContact O-N 3.14Å; H1152-S1155 WeakPolarHBondContact O-CB 3.37Å; H1152-S1155 PolarHBondContact O-N 3.11Å; H1152-S1155 VanDerWaalsContact O-N 3.1Å; H1152-S1155 PolarHBondContact O-OG 3.23Å |
| 1153 | V | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -65 | -16.6 | -177.9 | -89.4 | 0 | 0 | 0 | 0 | 113.5 | E1104 F1107 I1146 C1150 P1151 S1155 S1156 I1157 | E1104-V1153 HydrophobicContact CG-CG1 3.92Å; E1104-V1153 HydrophobicContact CG-CG2 4.48Å; F1107-V1153 HydrophobicContact CD1-CB 4.07Å; F1107-V1153 HydrophobicContact CD1-CG1 3.75Å; F1107-V1153 VanDerWaalsContact CD1-CG1 3.49Å; F1107-V1153 HydrophobicContact CD1-CG2 4.06Å; F1107-V1153 HydrophobicContact CD2-CG1 3.96Å; F1107-V1153 HydrophobicContact CD2-CG2 4.33Å; F1107-V1153 HydrophobicContact CE1-CB 3.74Å; F1107-V1153 VanDerWaalsContact CE1-CB 3.5Å; F1107-V1153 HydrophobicContact CE1-CG1 3.64Å; F1107-V1153 HydrophobicContact CE1-CG2 3.88Å; F1107-V1153 HydrophobicContact CE2-CG1 3.65Å; F1107-V1153 HydrophobicContact CE2-CG2 4.1Å; F1107-V1153 HydrophobicContact CG-CG1 3.92Å; F1107-V1153 HydrophobicContact CG-CG2 4.27Å; F1107-V1153 HydrophobicContact CZ-CB 3.96Å; F1107-V1153 HydrophobicContact CZ-CG1 3.28Å; F1107-V1153 HydrophobicContact CZ-CG2 3.8Å; I1146-V1153 HydrophobicContact CG2-CB 4.32Å; I1146-V1153 HydrophobicContact CG2-CG1 4.38Å; I1146-V1153 HydrophobicContact CG2-CG2 3.41Å; I1146-V1153 VanDerWaalsContact CG2-CG2 3.45Å; C1150-V1153 HydrophobicContact CB-CG1 3.99Å; C1150-V1153 HydrophobicContact CB-CG2 3.79Å; C1150-V1153 WeakPolarHBondContact O-CB 3.24Å; C1150-V1153 WeakPolarHBondContact O-CG1 3.35Å; C1150-V1153 VanDerWaalsContact O-CG2 3.31Å; C1150-V1153 WeakPolarHBondContact O-CG2 3.33Å; C1150-V1153 PolarHBondContact O-N 3.15Å; P1151-V1153 VanDerWaalsContact C-N 3.28Å; P1151-V1153 PolarHBondContact O-N 3.27Å; V1153-S1155 PolarHBondContact O-N 2.86Å; V1153-S1155 VanDerWaalsContact O-N 3.12Å; V1153-S1156 WeakPolarHBondContact O-CA 3.34Å; V1153-S1156 VanDerWaalsContact O-CB 3.3Å; V1153-S1156 WeakPolarHBondContact O-CB 3.34Å; V1153-S1156 PolarHBondContact O-N 3.29Å; V1153-I1157 HydrophobicContact CG1-CD1 4.31Å; V1153-I1157 HydrophobicContact CG1-CG1 4.43Å; V1153-I1157 PolarHBondContact O-N 2.96Å; V1153-I1157 VanDerWaalsContact O-N 3.14Å |
| 1154 | I | 90.1 | Very high | 88.7 | Confident | 14.6 Ų | 14.6 | 32.3 Ų | 32.3 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -26.3 | 171.4 | -163.4 | 168 | 0 | 0 | 0 | 112.5 | P1151 H1152 S1156 I1157 R1158 L1249 A1250 I1253 | P1151-I1154 VanDerWaalsContact O-CG2 3.23Å; P1151-I1154 WeakPolarHBondContact O-CG2 3.35Å; P1151-I1154 PolarHBondContact O-N 3.17Å; H1152-I1154 PolarHBondContact O-N 3.08Å; H1152-I1154 VanDerWaalsContact O-N 3.14Å; I1154-S1156 VanDerWaalsContact C-N 3.35Å; I1154-I1157 PolarHBondContact O-N 3.3Å; I1154-R1158 WeakPolarHBondContact O-CB 3.34Å; I1154-R1158 VanDerWaalsContact O-CG 3.3Å; I1154-R1158 WeakPolarHBondContact O-CG 3.46Å; I1154-R1158 PolarHBondContact O-N 3.05Å; I1154-L1249 HydrophobicContact CB-CD2 4.24Å; I1154-L1249 HydrophobicContact CD1-CB 4.32Å; I1154-L1249 HydrophobicContact CD1-CD2 4.25Å; I1154-L1249 HydrophobicContact CD1-CG 4.19Å; I1154-L1249 HydrophobicContact CG1-CD2 4.15Å; I1154-A1250 HydrophobicContact CD1-CB 3.83Å; I1154-I1253 HydrophobicContact CB-CD1 4.17Å; I1154-I1253 HydrophobicContact CD1-CD1 4.01Å; I1154-I1253 HydrophobicContact CG2-CD1 4.19Å |
| 1155 | S | 89.8 | Confident | 88.8 | Confident | 73.2 Ų | 73.2 | 34 Ų | 34 | 51% | 0.512 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 172 | 21.8 | 0 | 0 | 0 | 0 | 112.3 | H1152 V1153 S1159 | H1152-S1155 WeakPolarHBondContact O-CB 3.37Å; H1152-S1155 PolarHBondContact O-N 3.11Å; H1152-S1155 VanDerWaalsContact O-N 3.1Å; H1152-S1155 PolarHBondContact O-OG 3.23Å; V1153-S1155 PolarHBondContact O-N 2.86Å; V1153-S1155 VanDerWaalsContact O-N 3.12Å; S1155-S1159 WeakPolarHBondContact O-CB 3.4Å; S1155-S1159 PolarHBondContact O-N 3.07Å; S1155-S1159 PolarHBondContact O-OG 3.12Å |
| 1156 | S | 91.5 | Very high | 88.8 | Confident | 19.4 Ų | 19.4 | 37.1 Ų | 37.1 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -41.6 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | G761 R1108 V1153 I1154 S1159 E1160 | G761-S1156 WeakPolarHBondContact O-CB 3.32Å; R1108-S1156 PolarHBondContact NH1-OG 3.17Å; V1153-S1156 WeakPolarHBondContact O-CA 3.34Å; V1153-S1156 VanDerWaalsContact O-CB 3.3Å; V1153-S1156 WeakPolarHBondContact O-CB 3.34Å; V1153-S1156 PolarHBondContact O-N 3.29Å; I1154-S1156 VanDerWaalsContact C-N 3.35Å; S1156-S1159 WeakPolarHBondContact CA-OG 3.13Å; S1156-S1159 PolarHBondContact O-N 2.94Å; S1156-S1159 PolarHBondContact O-OG 3.45Å; S1156-S1159 VanDerWaalsContact O-OG 3.09Å; S1156-E1160 WeakPolarHBondContact O-CB 3.33Å; S1156-E1160 PolarHBondContact O-N 3.16Å |
| 1157 | I | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 174.3 | -65.5 | 174 | 0 | 0 | 0 | 110.6 | F1107 F1111 V1153 I1154 S1159 E1160 A1161 Y1184 L1185 Q1188 L1189 L1249 | F1107-I1157 HydrophobicContact CE2-CD1 4.16Å; F1107-I1157 HydrophobicContact CE2-CG1 4.24Å; F1107-I1157 HydrophobicContact CZ-CD1 4.32Å; F1107-I1157 HydrophobicContact CZ-CG1 4.05Å; F1111-I1157 HydrophobicContact CZ-CG1 4.42Å; V1153-I1157 HydrophobicContact CG1-CD1 4.31Å; V1153-I1157 HydrophobicContact CG1-CG1 4.43Å; V1153-I1157 PolarHBondContact O-N 2.96Å; V1153-I1157 VanDerWaalsContact O-N 3.14Å; I1154-I1157 PolarHBondContact O-N 3.3Å; I1157-S1159 VanDerWaalsContact C-N 3.34Å; I1157-S1159 PolarHBondContact O-N 3.15Å; I1157-E1160 PolarHBondContact O-N 3.24Å; I1157-A1161 WeakPolarHBondContact O-CB 3.44Å; I1157-A1161 PolarHBondContact O-N 3.26Å; I1157-Y1184 HydrophobicContact CD1-CE1 4.42Å; I1157-L1185 HydrophobicContact CB-CD2 4.29Å; I1157-L1185 HydrophobicContact CG2-CD2 3.81Å; I1157-Q1188 HydrophobicContact CD1-CB 4.36Å; I1157-Q1188 HydrophobicContact CD1-CG 4.41Å; I1157-Q1188 HydrophobicContact CG2-CB 4.42Å; I1157-L1189 HydrophobicContact CG2-CD1 4.43Å; I1157-L1189 HydrophobicContact CG2-CD2 4.02Å; I1157-L1189 HydrophobicContact CG2-CG 4.03Å; I1157-L1249 HydrophobicContact CD1-CD2 3.68Å |
| 1158 | R | 93.9 | Very high | 88.2 | Confident | 48.8 Ų | 48.8 | 42.7 Ų | 42.7 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 176.2 | -72.6 | 175.5 | -179.9 | 126.4 | 1.8 | 113 | I1154 E1160 K1162 L1189 D1283 L1286 | I1154-R1158 WeakPolarHBondContact O-CB 3.34Å; I1154-R1158 VanDerWaalsContact O-CG 3.3Å; I1154-R1158 WeakPolarHBondContact O-CG 3.46Å; I1154-R1158 PolarHBondContact O-N 3.05Å; R1158-E1160 VanDerWaalsContact C-N 3.33Å; R1158-K1162 WeakPolarHBondContact O-CB 3.35Å; R1158-K1162 WeakPolarHBondContact O-CD 3.39Å; R1158-K1162 VanDerWaalsContact O-CG 3.26Å; R1158-K1162 WeakPolarHBondContact O-CG 3.31Å; R1158-K1162 PolarHBondContact O-N 3.14Å; R1158-K1162 VanDerWaalsContact O-N 3.15Å; R1158-L1189 HydrophobicContact CG-CD2 4.05Å; R1158-D1283 WeakPolarHBondContact CD-OD1 3.34Å; R1158-D1283 IonicContact CZ-OD1 2.85Å; R1158-D1283 IonicContact CZ-OD2 3.56Å; R1158-D1283 IonicContact NE-OD1 3.01Å; R1158-D1283 PolarHBondContact NE-OD1 3Å; R1158-D1283 IonicContact NE-OD2 3.37Å; R1158-D1283 PolarHBondContact NE-OD2 3.17Å; R1158-D1283 IonicContact NH2-OD1 3.22Å; R1158-D1283 IonicContact NH2-OD2 3.25Å; R1158-D1283 PolarHBondContact NH2-OD2 3.36Å; R1158-L1286 HydrophobicContact CB-CD2 4.41Å; R1158-L1286 HydrophobicContact CG-CD2 4.45Å |
| 1159 | S | 91.3 | Very high | 87.9 | Confident | 42.6 Ų | 42.6 | 44.4 Ų | 44.4 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -43.9 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | S1155 S1156 I1157 K1162 Q1163 | S1155-S1159 WeakPolarHBondContact O-CB 3.4Å; S1155-S1159 PolarHBondContact O-N 3.07Å; S1155-S1159 PolarHBondContact O-OG 3.12Å; S1156-S1159 WeakPolarHBondContact CA-OG 3.13Å; S1156-S1159 PolarHBondContact O-N 2.94Å; S1156-S1159 PolarHBondContact O-OG 3.45Å; S1156-S1159 VanDerWaalsContact O-OG 3.09Å; I1157-S1159 VanDerWaalsContact C-N 3.34Å; I1157-S1159 PolarHBondContact O-N 3.15Å; S1159-K1162 WeakPolarHBondContact O-CB 3.38Å; S1159-K1162 PolarHBondContact O-N 3.12Å; S1159-K1162 VanDerWaalsContact O-N 3.15Å; S1159-Q1163 WeakPolarHBondContact O-CG 3.38Å; S1159-Q1163 PolarHBondContact O-N 3.15Å; S1159-Q1163 VanDerWaalsContact O-N 3.1Å; S1159-Q1163 PolarHBondContact O-NE2 3.23Å |
| 1160 | E | 91.4 | Very high | 87.6 | Confident | 4.6 Ų | 4.6 | 48.3 Ų | 48.3 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 177.9 | -165.2 | 61.9 | -137.5 | 0 | 0 | 112.2 | A762 F1111 K1115 S1156 I1157 R1158 K1162 Q1163 L1164 L1181 L1185 | A762-E1160 WeakPolarHBondContact CB-OE2 3.41Å; A762-E1160 PolarHBondContact N-OE2 3.13Å; F1111-E1160 HydrophobicContact CE1-CB 4.17Å; F1111-E1160 HydrophobicContact CE1-CG 4.32Å; F1111-E1160 HydrophobicContact CE2-CG 4.39Å; F1111-E1160 HydrophobicContact CZ-CB 3.64Å; F1111-E1160 HydrophobicContact CZ-CG 3.73Å; K1115-E1160 VanDerWaalsContact CD-OE1 3.31Å; K1115-E1160 WeakPolarHBondContact CD-OE1 3.35Å; K1115-E1160 WeakPolarHBondContact CE-OE1 3.24Å; K1115-E1160 IonicContact NZ-OE1 2.99Å; K1115-E1160 PolarHBondContact NZ-OE1 3.01Å; K1115-E1160 IonicContact NZ-OE2 3.06Å; K1115-E1160 PolarHBondContact NZ-OE2 3.27Å; S1156-E1160 WeakPolarHBondContact O-CB 3.33Å; S1156-E1160 PolarHBondContact O-N 3.16Å; I1157-E1160 PolarHBondContact O-N 3.24Å; R1158-E1160 VanDerWaalsContact C-N 3.33Å; E1160-K1162 VanDerWaalsContact C-N 3.29Å; E1160-K1162 PolarHBondContact O-N 2.91Å; E1160-Q1163 WeakPolarHBondContact O-CB 3.26Å; E1160-Q1163 PolarHBondContact O-N 3.15Å; E1160-Q1163 VanDerWaalsContact O-N 3.14Å; E1160-Q1163 PolarHBondContact OE2-NE2 3.31Å; E1160-L1164 VanDerWaalsContact O-CB 3.3Å; E1160-L1164 WeakPolarHBondContact O-CB 3.3Å; E1160-L1164 PolarHBondContact O-N 3.16Å; E1160-L1181 HydrophobicContact CG-CD1 4.41Å; E1160-L1181 HydrophobicContact CG-CD2 4.29Å; E1160-L1185 HydrophobicContact CB-CD1 4.2Å; E1160-L1185 HydrophobicContact CB-CD2 4.22Å; E1160-L1185 HydrophobicContact CG-CD1 4.23Å; E1160-L1185 HydrophobicContact CG-CD2 4.35Å |
| 1161 | A | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1157 L1164 V1165 L1185 L1189 L1286 | I1157-A1161 WeakPolarHBondContact O-CB 3.44Å; I1157-A1161 PolarHBondContact O-N 3.26Å; A1161-L1164 PolarHBondContact O-N 3.26Å; A1161-V1165 WeakPolarHBondContact O-CB 3.21Å; A1161-V1165 VanDerWaalsContact O-CG2 3.26Å; A1161-V1165 WeakPolarHBondContact O-CG2 3.41Å; A1161-V1165 PolarHBondContact O-N 3.29Å; A1161-L1185 HydrophobicContact CB-CD1 4.31Å; A1161-L1185 HydrophobicContact CB-CD2 4.48Å; A1161-L1189 HydrophobicContact CB-CD1 3.81Å; A1161-L1286 HydrophobicContact CB-CD1 4.18Å; A1161-L1286 HydrophobicContact CB-CD2 4.09Å; A1161-L1286 HydrophobicContact CB-CG 3.88Å |
| 1162 | K | 92.4 | Very high | 86.8 | Confident | 131.8 Ų | 131.8 | 47.2 Ų | 47.2 | 57% | 0.573 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.4 | -38.8 | 173.7 | -73.9 | 174.6 | -178.3 | -175 | 0 | 113 | R1158 S1159 E1160 V1165 S1166 L1286 | R1158-K1162 WeakPolarHBondContact O-CB 3.35Å; R1158-K1162 WeakPolarHBondContact O-CD 3.39Å; R1158-K1162 VanDerWaalsContact O-CG 3.26Å; R1158-K1162 WeakPolarHBondContact O-CG 3.31Å; R1158-K1162 PolarHBondContact O-N 3.14Å; R1158-K1162 VanDerWaalsContact O-N 3.15Å; S1159-K1162 WeakPolarHBondContact O-CB 3.38Å; S1159-K1162 PolarHBondContact O-N 3.12Å; S1159-K1162 VanDerWaalsContact O-N 3.15Å; E1160-K1162 VanDerWaalsContact C-N 3.29Å; E1160-K1162 PolarHBondContact O-N 2.91Å; K1162-V1165 PolarHBondContact O-N 2.86Å; K1162-S1166 VanDerWaalsContact O-CB 3.28Å; K1162-S1166 WeakPolarHBondContact O-CB 3.4Å; K1162-S1166 PolarHBondContact O-N 3.14Å; K1162-S1166 PolarHBondContact O-OG 3.11Å; K1162-L1286 HydrophobicContact CG-CD1 3.81Å; K1162-L1286 HydrophobicContact CG-CD2 4.14Å |
| 1163 | Q | 88.5 | Confident | 86.3 | Confident | 73.6 Ų | 73.6 | 47.8 Ų | 47.8 | 34% | 0.344 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 174 | -72.5 | 175.6 | 37.2 | 0 | 0 | 110.6 | S1159 E1160 V1165 S1166 N1167 | S1159-Q1163 WeakPolarHBondContact O-CG 3.38Å; S1159-Q1163 PolarHBondContact O-N 3.15Å; S1159-Q1163 VanDerWaalsContact O-N 3.1Å; S1159-Q1163 PolarHBondContact O-NE2 3.23Å; E1160-Q1163 WeakPolarHBondContact O-CB 3.26Å; E1160-Q1163 PolarHBondContact O-N 3.15Å; E1160-Q1163 VanDerWaalsContact O-N 3.14Å; E1160-Q1163 PolarHBondContact OE2-NE2 3.31Å; Q1163-V1165 VanDerWaalsContact C-N 3.28Å; Q1163-V1165 PolarHBondContact O-N 3.03Å; Q1163-S1166 PolarHBondContact O-N 3.1Å; Q1163-S1166 PolarHBondContact O-OG 3.23Å; Q1163-S1166 VanDerWaalsContact O-OG 3.09Å; Q1163-N1167 PolarHBondContact O-N 3.07Å; Q1163-N1167 VanDerWaalsContact O-N 3.11Å |
| 1164 | L | 88.9 | Confident | 85.8 | Confident | 2.8 Ų | 2.8 | 48.2 Ų | 48.2 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -33.3 | -179.5 | -154.9 | 141.7 | 0 | 0 | 0 | 112.8 | E1160 A1161 L1168 P1178 L1181 A1182 L1185 S1290 S1293 V1294 | E1160-L1164 VanDerWaalsContact O-CB 3.3Å; E1160-L1164 WeakPolarHBondContact O-CB 3.3Å; E1160-L1164 PolarHBondContact O-N 3.16Å; A1161-L1164 PolarHBondContact O-N 3.26Å; L1164-L1168 HydrophobicContact CD1-CD2 4.02Å; L1164-L1168 HydrophobicContact CG-CD2 4.27Å; L1164-L1168 WeakPolarHBondContact O-CD1 3.34Å; L1164-P1178 HydrophobicContact CD1-CG 3.88Å; L1164-P1178 HydrophobicContact CD2-CG 4.05Å; L1164-L1181 HydrophobicContact CD1-CD2 4.14Å; L1164-L1181 HydrophobicContact CD1-CG 4.33Å; L1164-A1182 HydrophobicContact CD1-CB 4.49Å; L1164-A1182 HydrophobicContact CD2-CB 4.26Å; L1164-L1185 HydrophobicContact CD1-CD1 3.89Å; L1164-L1185 HydrophobicContact CD2-CD1 3.82Å; L1164-S1290 WeakPolarHBondContact CD2-O 3.32Å; L1164-S1293 WeakPolarHBondContact CD2-OG 3.16Å; L1164-S1293 VanDerWaalsContact O-CB 3.31Å; L1164-S1293 WeakPolarHBondContact O-CB 3.18Å; L1164-S1293 PolarHBondContact O-OG 3.02Å; L1164-V1294 HydrophobicContact CD1-CG2 4.22Å; L1164-V1294 HydrophobicContact CD2-CG2 3.77Å; L1164-V1294 VanDerWaalsContact CD2-CG2 3.49Å; L1164-V1294 HydrophobicContact CG-CG2 4.1Å |
| 1165 | V | 89.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.5 | -39.8 | 171 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | A1161 K1162 Q1163 L1286 Q1289 S1290 | A1161-V1165 WeakPolarHBondContact O-CB 3.21Å; A1161-V1165 VanDerWaalsContact O-CG2 3.26Å; A1161-V1165 WeakPolarHBondContact O-CG2 3.41Å; A1161-V1165 PolarHBondContact O-N 3.29Å; K1162-V1165 PolarHBondContact O-N 2.86Å; Q1163-V1165 VanDerWaalsContact C-N 3.28Å; Q1163-V1165 PolarHBondContact O-N 3.03Å; V1165-L1286 HydrophobicContact CG2-CD1 4.3Å; V1165-Q1289 HydrophobicContact CG1-CB 4.39Å; V1165-Q1289 HydrophobicContact CG2-CB 3.76Å; V1165-S1290 VanDerWaalsContact CG2-CA 3.48Å; V1165-S1290 VanDerWaalsContact CG2-N 3.32Å |
| 1166 | S | 83.7 | Confident | 85.4 | Confident | 82 Ų | 82 | 45 Ų | 45 | 57% | 0.573 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68 | -44.6 | -170.9 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | K1162 Q1163 | K1162-S1166 VanDerWaalsContact O-CB 3.28Å; K1162-S1166 WeakPolarHBondContact O-CB 3.4Å; K1162-S1166 PolarHBondContact O-N 3.14Å; K1162-S1166 PolarHBondContact O-OG 3.11Å; Q1163-S1166 PolarHBondContact O-N 3.1Å; Q1163-S1166 PolarHBondContact O-OG 3.23Å; Q1163-S1166 VanDerWaalsContact O-OG 3.09Å |
| 1167 | N | 76.7 | Confident | 85.3 | Confident | 136.2 Ų | 136.2 | 44 Ų | 44 | 73% | 0.728 | 23% | 0.23 | S | C | * | . | trans | -169.1 | 131.9 | 167.3 | -90.5 | -65.3 | 0 | 0 | 0 | 109.5 | Q1163 | Q1163-N1167 PolarHBondContact O-N 3.07Å; Q1163-N1167 VanDerWaalsContact O-N 3.11Å | ||
| 1168 | L | 81.7 | Confident | 85.2 | Confident | 27.4 Ų | 27.4 | 44.3 Ų | 44.3 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | trans | -62.9 | 138.4 | 162.9 | -76.3 | 130.5 | 0 | 0 | 0 | 109.9 | L1164 Q1172 K1173 P1178 S1293 V1294 V1297 | L1164-L1168 HydrophobicContact CD1-CD2 4.02Å; L1164-L1168 HydrophobicContact CG-CD2 4.27Å; L1164-L1168 WeakPolarHBondContact O-CD1 3.34Å; L1168-Q1172 HydrophobicContact CB-CB 4.09Å; L1168-Q1172 HydrophobicContact CD2-CB 4.14Å; L1168-Q1172 HydrophobicContact CG-CB 4.22Å; L1168-K1173 HydrophobicContact CB-CB 4.4Å; L1168-P1178 HydrophobicContact CD2-CG 4.18Å; L1168-S1293 VanDerWaalsContact CD1-O 3.25Å; L1168-S1293 WeakPolarHBondContact CD1-O 3.34Å; L1168-V1294 HydrophobicContact CD1-CG2 4.3Å; L1168-V1294 HydrophobicContact CD2-CG2 4.08Å; L1168-V1294 HydrophobicContact CG-CG2 4.5Å; L1168-V1297 HydrophobicContact CD1-CG1 4.24Å; L1168-V1297 HydrophobicContact CD1-CG2 3.98Å; L1168-V1297 HydrophobicContact CD2-CG1 4.26Å; L1168-V1297 HydrophobicContact CD2-CG2 4.28Å | ||
| 1169 | T | 77.1 | Confident | 85.1 | Confident | 65.8 Ų | 65.8 | 42.2 Ų | 42.2 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | trans | -63.6 | 163 | 174.6 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | H1171 Q1172 K1173 | T1169-H1171 VanDerWaalsContact C-N 3.27Å; T1169-H1171 PolarHBondContact O-N 3.27Å; T1169-Q1172 PolarHBondContact O-N 3.23Å; T1169-Q1172 VanDerWaalsContact O-N 3.14Å; T1169-Q1172 WeakPolarHBondContact OG1-CB 3.49Å; T1169-Q1172 VanDerWaalsContact OG1-CG 3.28Å; T1169-Q1172 WeakPolarHBondContact OG1-CG 3.41Å; T1169-Q1172 PolarHBondContact OG1-N 3.3Å; T1169-Q1172 VanDerWaalsContact OG1-N 3.14Å; T1169-Q1172 PolarHBondContact OG1-OE1 2.93Å; T1169-K1173 WeakPolarHBondContact O-CB 3.34Å; T1169-K1173 PolarHBondContact O-N 3.16Å | ||
| 1170 | L | 75.8 | Confident | 85.2 | Confident | 90 Ų | 90 | 40.7 Ų | 40.7 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59 | -38.9 | 178.5 | -175.5 | 61.8 | 0 | 0 | 0 | 111.6 | F876 K1173 D1174 | F876-L1170 HydrophobicContact CE1-CD2 4.24Å; F876-L1170 HydrophobicContact CE1-CG 4.19Å; F876-L1170 HydrophobicContact CZ-CB 4.3Å; F876-L1170 HydrophobicContact CZ-CD2 4.24Å; F876-L1170 HydrophobicContact CZ-CG 4.05Å; L1170-K1173 PolarHBondContact O-N 3.15Å; L1170-D1174 HydrophobicContact CD1-CB 4.48Å; L1170-D1174 WeakPolarHBondContact CD1-OD2 3.38Å; L1170-D1174 VanDerWaalsContact O-CB 3.31Å; L1170-D1174 WeakPolarHBondContact O-CB 3.25Å; L1170-D1174 PolarHBondContact O-N 3.02Å |
| 1171 | H | 78.9 | Confident | 85.3 | Confident | 3.4 Ų | 3.4 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 174 | -176.8 | -78.2 | 0 | 0 | 0 | 112.2 | E872 S875 F876 P1117 T1169 K1173 D1174 I1175 H1176 | E872-H1171 HydrophobicContact CG-CB 4Å; E872-H1171 WeakPolarHBondContact OE1-CB 3.39Å; E872-H1171 IonicContact OE1-CG 3.32Å; S875-H1171 WeakPolarHBondContact CB-NE2 3.32Å; S875-H1171 PolarHBondContact OG-NE2 3.35Å; S875-H1171 VanDerWaalsContact OG-NE2 3.14Å; F876-H1171 HydrophobicContact CE2-CB 3.98Å; F876-H1171 HydrophobicContact CZ-CB 3.84Å; P1117-H1171 VanDerWaalsContact CA-CE1 3.49Å; P1117-H1171 WeakPolarHBondContact CA-CE1 3.28Å; P1117-H1171 VanDerWaalsContact CB-CE1 3.5Å; P1117-H1171 WeakPolarHBondContact CB-CE1 3.44Å; T1169-H1171 VanDerWaalsContact C-N 3.27Å; T1169-H1171 PolarHBondContact O-N 3.27Å; H1171-K1173 PolarHBondContact O-N 3.18Å; H1171-D1174 PolarHBondContact O-N 2.82Å; H1171-I1175 CarbonylContact O-C 3.56Å; H1171-I1175 WeakPolarHBondContact O-CA 3.42Å; H1171-I1175 WeakPolarHBondContact O-CB 3.31Å; H1171-I1175 PolarHBondContact O-N 3.06Å; H1171-H1176 VanDerWaalsContact CE1-CB 3.44Å; H1171-H1176 WeakPolarHBondContact CE1-CB 3.36Å; H1171-H1176 PolarHBondContact O-N 3.13Å |
| 1172 | Q | 78.7 | Confident | 85.4 | Confident | 20.8 Ų | 20.8 | 40.4 Ų | 40.4 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -31.2 | 177.6 | -73.5 | 170.7 | -18.2 | 0 | 0 | 113 | L1168 T1169 H1176 V1177 P1178 | L1168-Q1172 HydrophobicContact CB-CB 4.09Å; L1168-Q1172 HydrophobicContact CD2-CB 4.14Å; L1168-Q1172 HydrophobicContact CG-CB 4.22Å; T1169-Q1172 PolarHBondContact O-N 3.23Å; T1169-Q1172 VanDerWaalsContact O-N 3.14Å; T1169-Q1172 WeakPolarHBondContact OG1-CB 3.49Å; T1169-Q1172 VanDerWaalsContact OG1-CG 3.28Å; T1169-Q1172 WeakPolarHBondContact OG1-CG 3.41Å; T1169-Q1172 PolarHBondContact OG1-N 3.3Å; T1169-Q1172 VanDerWaalsContact OG1-N 3.14Å; T1169-Q1172 PolarHBondContact OG1-OE1 2.93Å; Q1172-H1176 VanDerWaalsContact CA-O 3.31Å; Q1172-H1176 WeakPolarHBondContact CA-O 3.4Å; Q1172-H1176 CarbonylContact O-C 3.55Å; Q1172-V1177 WeakPolarHBondContact O-CA 3.3Å; Q1172-P1178 HydrophobicContact CG-CG 4.22Å |
| 1173 | K | 78.6 | Confident | 85.4 | Confident | 110.8 Ų | 110.8 | 34.3 Ų | 34.3 | 48% | 0.482 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -88.6 | -39.3 | -178.7 | -171 | 170.2 | -174.2 | 167.2 | 0 | 114 | L1168 T1169 L1170 H1171 V1297 | L1168-K1173 HydrophobicContact CB-CB 4.4Å; T1169-K1173 WeakPolarHBondContact O-CB 3.34Å; T1169-K1173 PolarHBondContact O-N 3.16Å; L1170-K1173 PolarHBondContact O-N 3.15Å; H1171-K1173 PolarHBondContact O-N 3.18Å; K1173-V1297 HydrophobicContact CG-CG1 4.49Å |
| 1174 | D | 79.5 | Confident | 85.7 | Confident | 11.4 Ų | 11.4 | 30.8 Ų | 30.8 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -97 | -20.4 | -175.3 | -78.3 | 15.4 | 0 | 0 | 0 | 113.7 | L1170 H1171 S1299 R1300 W1809 R1815 | L1170-D1174 HydrophobicContact CD1-CB 4.48Å; L1170-D1174 WeakPolarHBondContact CD1-OD2 3.38Å; L1170-D1174 VanDerWaalsContact O-CB 3.31Å; L1170-D1174 WeakPolarHBondContact O-CB 3.25Å; L1170-D1174 PolarHBondContact O-N 3.02Å; H1171-D1174 PolarHBondContact O-N 2.82Å; D1174-S1299 PolarHBondContact O-OG 3.22Å; D1174-R1300 HydrophobicContact CB-CB 4.44Å; D1174-R1300 HydrophobicContact CB-CG 4.36Å; D1174-R1300 VanDerWaalsContact CG-CD 3.49Å; D1174-R1300 WeakPolarHBondContact O-CA 3.4Å; D1174-R1300 WeakPolarHBondContact O-CB 3.39Å; D1174-R1300 PolarHBondContact O-N 3.24Å; D1174-R1300 VanDerWaalsContact OD1-CD 3.29Å; D1174-R1300 WeakPolarHBondContact OD1-CD 3.21Å; D1174-R1300 IonicContact OD1-CZ 3.28Å; D1174-R1300 IonicContact OD1-NE 3.05Å; D1174-R1300 PolarHBondContact OD1-NE 3.28Å; D1174-R1300 IonicContact OD1-NH1 3.48Å; D1174-R1300 PolarHBondContact OD1-NH1 3.12Å; D1174-R1300 IonicContact OD1-NH2 3.59Å; D1174-R1300 WeakPolarHBondContact OD2-CD 3.29Å; D1174-R1300 IonicContact OD2-CZ 3.23Å; D1174-R1300 IonicContact OD2-NE 3.02Å; D1174-R1300 IonicContact OD2-NH1 3.5Å; D1174-R1300 PolarHBondContact OD2-NH1 3.03Å; D1174-W1809 HydrophobicContact CB-CZ2 4.19Å; D1174-W1809 PolarHBondContact OD2-NE1 3.09Å; D1174-R1815 IonicContact OD1-CZ 3.63Å; D1174-R1815 IonicContact OD1-NE 3.67Å; D1174-R1815 PolarHBondContact OD1-NE 3.33Å; D1174-R1815 IonicContact OD1-NH2 2.6Å; D1174-R1815 PolarHBondContact OD1-NH2 2.89Å; D1174-R1815 IonicContact OD2-CZ 2.73Å; D1174-R1815 IonicContact OD2-NE 2.73Å; D1174-R1815 PolarHBondContact OD2-NE 3.47Å; D1174-R1815 IonicContact OD2-NH2 2.64Å; D1174-R1815 PolarHBondContact OD2-NH2 3Å |
| 1175 | I | 83.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -68.6 | -173.4 | -54.9 | -175.7 | 0 | 0 | 0 | 112.3 | F876 V879 P1120 H1171 S1299 V1301 F1309 Q1313 | F876-I1175 HydrophobicContact CD1-CD1 3.62Å; F876-I1175 HydrophobicContact CE1-CD1 3.85Å; F876-I1175 HydrophobicContact CE1-CG1 4.43Å; F876-I1175 HydrophobicContact CG-CD1 4.06Å; F876-I1175 HydrophobicContact CZ-CD1 4.42Å; V879-I1175 HydrophobicContact CB-CD1 4.29Å; V879-I1175 HydrophobicContact CG2-CD1 4.1Å; V879-I1175 HydrophobicContact CG2-CG1 4.26Å; V879-I1175 HydrophobicContact CG2-CG2 4.43Å; P1120-I1175 HydrophobicContact CG-CG2 4.4Å; H1171-I1175 CarbonylContact O-C 3.56Å; H1171-I1175 WeakPolarHBondContact O-CA 3.42Å; H1171-I1175 WeakPolarHBondContact O-CB 3.31Å; H1171-I1175 PolarHBondContact O-N 3.06Å; I1175-S1299 VanDerWaalsContact O-CB 3.23Å; I1175-S1299 WeakPolarHBondContact O-CB 3.31Å; I1175-S1299 PolarHBondContact O-OG 2.91Å; I1175-V1301 HydrophobicContact CB-CG2 4.37Å; I1175-V1301 HydrophobicContact CG1-CG2 4.47Å; I1175-V1301 HydrophobicContact CG2-CG2 3.98Å; I1175-F1309 HydrophobicContact CG2-CZ 4.41Å; I1175-F1309 WeakPolarHBondContact O-CE1 3.48Å; I1175-F1309 WeakPolarHBondContact O-CZ 3.32Å; I1175-Q1313 PolarHBondContact O-NE2 2.9Å |
| 1176 | H | 87.2 | Confident | 86.1 | Confident | 17.6 Ų | 17.6 | 28.1 Ų | 28.1 | 8% | 0.081 | 15% | 0.152 | C | C | . | . | trans | -123.4 | 98.1 | -169 | -171.5 | -99.5 | 0 | 0 | 0 | 114.5 | R1118 H1171 Q1172 P1178 F1309 Q1313 | R1118-H1176 HydrophobicContact CB-CB 4.32Å; R1118-H1176 VanDerWaalsContact CB-CD2 3.45Å; R1118-H1176 WeakPolarHBondContact CB-CD2 3.32Å; R1118-H1176 VanDerWaalsContact CD-CD2 3.47Å; R1118-H1176 WeakPolarHBondContact CD-CD2 3.39Å; R1118-H1176 VanDerWaalsContact CD-NE2 3.25Å; R1118-H1176 WeakPolarHBondContact CD-NE2 3.33Å; H1171-H1176 VanDerWaalsContact CE1-CB 3.44Å; H1171-H1176 WeakPolarHBondContact CE1-CB 3.36Å; H1171-H1176 PolarHBondContact O-N 3.13Å; Q1172-H1176 VanDerWaalsContact CA-O 3.31Å; Q1172-H1176 WeakPolarHBondContact CA-O 3.4Å; Q1172-H1176 CarbonylContact O-C 3.55Å; H1176-P1178 WeakPolarHBondContact O-CD 3.41Å; H1176-F1309 HydrophobicContact CB-CZ 4.47Å; H1176-F1309 AromaticContact CD2-CE2 3.88Å; H1176-F1309 AromaticContact CD2-CZ 3.91Å; H1176-Q1313 PolarHBondContact CD2-NE2 2.97Å | ||
| 1177 | V | 89.2 | Confident | 86.5 | Confident | 0.4 Ų | 0.4 | 24.6 Ų | 24.6 | 0% | 0.002 | 13% | 0.126 | C | C | . | . | trans | -73.2 | 121 | -179.8 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | Q1172 F1179 V1294 V1297 | Q1172-V1177 WeakPolarHBondContact O-CA 3.3Å; V1177-F1179 VanDerWaalsContact C-N 3.3Å; V1177-F1179 HydrophobicContact CB-CD2 4.18Å; V1177-F1179 HydrophobicContact CB-CE2 3.67Å; V1177-F1179 HydrophobicContact CB-CZ 3.95Å; V1177-F1179 HydrophobicContact CG1-CD1 4.21Å; V1177-F1179 HydrophobicContact CG1-CD2 4.09Å; V1177-F1179 HydrophobicContact CG1-CE1 3.73Å; V1177-F1179 HydrophobicContact CG1-CE2 3.61Å; V1177-F1179 HydrophobicContact CG1-CG 4.37Å; V1177-F1179 HydrophobicContact CG1-CZ 3.4Å; V1177-F1179 VanDerWaalsContact CG1-CZ 3.45Å; V1177-F1179 WeakPolarHBondContact O-CD2 3.27Å; V1177-F1179 PolarHBondContact O-N 3.05Å; V1177-V1294 HydrophobicContact CG1-CG1 3.64Å; V1177-V1297 HydrophobicContact CG1-CB 4.25Å; V1177-V1297 HydrophobicContact CG2-CB 4.37Å; V1177-V1297 HydrophobicContact CG2-CG1 3.97Å; V1177-V1297 WeakPolarHBondContact CG2-O 3.39Å | ||
| 1178 | P | 91.1 | Very high | 87.2 | Confident | 5.8 Ų | 5.8 | 18.9 Ų | 18.9 | 4% | 0.038 | 10% | 0.096 | C | C | . | . | trans | -85.7 | 57.4 | -164.6 | 35.8 | -38.9 | 0 | 0 | 0 | 113.5 | L1164 L1168 Q1172 H1176 N1180 L1181 A1182 V1294 | L1164-P1178 HydrophobicContact CD1-CG 3.88Å; L1164-P1178 HydrophobicContact CD2-CG 4.05Å; L1168-P1178 HydrophobicContact CD2-CG 4.18Å; Q1172-P1178 HydrophobicContact CG-CG 4.22Å; H1176-P1178 WeakPolarHBondContact O-CD 3.41Å; P1178-N1180 PolarHBondContact O-N 3.27Å; P1178-L1181 HydrophobicContact CB-CB 4.24Å; P1178-L1181 HydrophobicContact CB-CD2 4.48Å; P1178-L1181 WeakPolarHBondContact O-CB 3.5Å; P1178-L1181 PolarHBondContact O-N 3.2Å; P1178-L1181 VanDerWaalsContact O-N 3.15Å; P1178-A1182 PolarHBondContact O-N 2.98Å; P1178-A1182 VanDerWaalsContact O-N 3.12Å; P1178-V1294 HydrophobicContact CG-CG2 4.3Å | ||
| 1179 | F | 93 | Very high | 87.7 | Confident | 3.2 Ų | 3.2 | 17.8 Ų | 17.8 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.8 | -47.1 | -175.7 | -65.6 | -67.7 | 0 | 0 | 0 | 113.5 | V1177 L1181 A1182 T1183 V1294 Q1313 Q1316 E1317 L1320 | V1177-F1179 VanDerWaalsContact C-N 3.3Å; V1177-F1179 HydrophobicContact CB-CD2 4.18Å; V1177-F1179 HydrophobicContact CB-CE2 3.67Å; V1177-F1179 HydrophobicContact CB-CZ 3.95Å; V1177-F1179 HydrophobicContact CG1-CD1 4.21Å; V1177-F1179 HydrophobicContact CG1-CD2 4.09Å; V1177-F1179 HydrophobicContact CG1-CE1 3.73Å; V1177-F1179 HydrophobicContact CG1-CE2 3.61Å; V1177-F1179 HydrophobicContact CG1-CG 4.37Å; V1177-F1179 HydrophobicContact CG1-CZ 3.4Å; V1177-F1179 VanDerWaalsContact CG1-CZ 3.45Å; V1177-F1179 WeakPolarHBondContact O-CD2 3.27Å; V1177-F1179 PolarHBondContact O-N 3.05Å; F1179-L1181 VanDerWaalsContact C-N 3.31Å; F1179-L1181 PolarHBondContact O-N 3.14Å; F1179-L1181 VanDerWaalsContact O-N 3.16Å; F1179-A1182 PolarHBondContact O-N 3.08Å; F1179-A1182 VanDerWaalsContact O-N 3.11Å; F1179-T1183 WeakPolarHBondContact O-CB 3.37Å; F1179-T1183 PolarHBondContact O-N 3.07Å; F1179-T1183 PolarHBondContact O-OG1 3.21Å; F1179-V1294 HydrophobicContact CD1-CG1 3.64Å; F1179-V1294 VanDerWaalsContact CD1-CG1 3.41Å; F1179-V1294 HydrophobicContact CE1-CG1 3.85Å; F1179-V1294 HydrophobicContact CG-CG1 4.37Å; F1179-Q1313 HydrophobicContact CE2-CB 4.2Å; F1179-Q1313 WeakPolarHBondContact CE2-O 3.37Å; F1179-Q1316 HydrophobicContact CB-CB 3.76Å; F1179-Q1316 HydrophobicContact CD2-CB 3.95Å; F1179-Q1316 HydrophobicContact CG-CB 4.09Å; F1179-E1317 HydrophobicContact CD1-CB 4.3Å; F1179-E1317 HydrophobicContact CE1-CB 3.73Å; F1179-E1317 HydrophobicContact CE1-CG 3.75Å; F1179-E1317 HydrophobicContact CE2-CB 4.13Å; F1179-E1317 HydrophobicContact CZ-CB 3.64Å; F1179-E1317 HydrophobicContact CZ-CG 3.91Å; F1179-L1320 HydrophobicContact CD1-CD2 4.23Å |
| 1180 | N | 93 | Very high | 88.2 | Confident | 11.2 Ų | 11.2 | 15.6 Ų | 15.6 | 6% | 0.06 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.2 | -33.7 | -179.5 | -66.7 | -31.7 | 0 | 0 | 0 | 113 | L1114 E1134 L1138 P1178 T1183 Y1184 Q1316 | L1114-N1180 HydrophobicContact CD2-CB 4.16Å; E1134-N1180 PolarHBondContact OE2-ND2 3.05Å; E1134-N1180 VanDerWaalsContact OE2-ND2 3.14Å; L1138-N1180 HydrophobicContact CD2-CB 4.14Å; P1178-N1180 PolarHBondContact O-N 3.27Å; N1180-T1183 WeakPolarHBondContact O-CB 3.46Å; N1180-T1183 PolarHBondContact O-N 3.33Å; N1180-Y1184 WeakPolarHBondContact O-CB 3.3Å; N1180-Y1184 PolarHBondContact O-N 3.03Å; N1180-Y1184 VanDerWaalsContact O-N 3.11Å; N1180-Q1316 VanDerWaalsContact ND2-CD 3.32Å; N1180-Q1316 PolarHBondContact ND2-NE2 3.06Å; N1180-Q1316 VanDerWaalsContact ND2-NE2 3.12Å; N1180-Q1316 PolarHBondContact ND2-OE1 3.45Å |
| 1181 | L | 93.3 | Very high | 88.5 | Confident | 0.2 Ų | 0.2 | 11.3 Ų | 11.3 | 0% | 0.001 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.5 | -46.6 | 174.3 | 179.8 | 62.6 | 0 | 0 | 0 | 111 | F1111 L1114 K1115 E1160 L1164 P1178 F1179 T1183 Y1184 L1185 | F1111-L1181 HydrophobicContact CD2-CD1 4.09Å; F1111-L1181 HydrophobicContact CE2-CD1 3.68Å; F1111-L1181 HydrophobicContact CZ-CD1 4.41Å; L1114-L1181 HydrophobicContact CB-CB 4.34Å; L1114-L1181 HydrophobicContact CB-CD1 4.11Å; K1115-L1181 HydrophobicContact CB-CD2 4.19Å; K1115-L1181 HydrophobicContact CG-CD1 4.43Å; K1115-L1181 HydrophobicContact CG-CD2 4.17Å; E1160-L1181 HydrophobicContact CG-CD1 4.41Å; E1160-L1181 HydrophobicContact CG-CD2 4.29Å; L1164-L1181 HydrophobicContact CD1-CD2 4.14Å; L1164-L1181 HydrophobicContact CD1-CG 4.33Å; P1178-L1181 HydrophobicContact CB-CB 4.24Å; P1178-L1181 HydrophobicContact CB-CD2 4.48Å; P1178-L1181 WeakPolarHBondContact O-CB 3.5Å; P1178-L1181 PolarHBondContact O-N 3.2Å; P1178-L1181 VanDerWaalsContact O-N 3.15Å; F1179-L1181 VanDerWaalsContact C-N 3.31Å; F1179-L1181 PolarHBondContact O-N 3.14Å; F1179-L1181 VanDerWaalsContact O-N 3.16Å; L1181-T1183 VanDerWaalsContact C-N 3.31Å; L1181-T1183 PolarHBondContact O-N 3.18Å; L1181-Y1184 PolarHBondContact O-N 3.03Å; L1181-Y1184 VanDerWaalsContact O-N 3.15Å; L1181-L1185 HydrophobicContact CD1-CD1 4.21Å; L1181-L1185 HydrophobicContact CD1-CG 4.2Å; L1181-L1185 HydrophobicContact CG-CD1 3.96Å; L1181-L1185 HydrophobicContact CG-CG 4.38Å; L1181-L1185 WeakPolarHBondContact O-CB 3.43Å; L1181-L1185 VanDerWaalsContact O-CG 3.28Å; L1181-L1185 WeakPolarHBondContact O-CG 3.43Å; L1181-L1185 PolarHBondContact O-N 3.11Å |
| 1182 | A | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1164 P1178 F1179 Y1184 L1185 F1186 I1291 V1294 | L1164-A1182 HydrophobicContact CD1-CB 4.49Å; L1164-A1182 HydrophobicContact CD2-CB 4.26Å; P1178-A1182 PolarHBondContact O-N 2.98Å; P1178-A1182 VanDerWaalsContact O-N 3.12Å; F1179-A1182 PolarHBondContact O-N 3.08Å; F1179-A1182 VanDerWaalsContact O-N 3.11Å; A1182-Y1184 PolarHBondContact O-N 3.22Å; A1182-L1185 PolarHBondContact O-N 3.23Å; A1182-F1186 VanDerWaalsContact O-CB 3.3Å; A1182-F1186 WeakPolarHBondContact O-CB 3.35Å; A1182-F1186 PolarHBondContact O-N 3.2Å; A1182-I1291 HydrophobicContact CB-CG1 4.14Å; A1182-V1294 HydrophobicContact CB-CB 4.33Å; A1182-V1294 HydrophobicContact CB-CG1 4.29Å; A1182-V1294 HydrophobicContact CB-CG2 4.26Å |
| 1183 | T | 93.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 172.3 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | L1138 F1179 N1180 L1181 H1187 L1236 L1242 L1320 | L1138-T1183 HydrophobicContact CD2-CG2 4.43Å; F1179-T1183 WeakPolarHBondContact O-CB 3.37Å; F1179-T1183 PolarHBondContact O-N 3.07Å; F1179-T1183 PolarHBondContact O-OG1 3.21Å; N1180-T1183 WeakPolarHBondContact O-CB 3.46Å; N1180-T1183 PolarHBondContact O-N 3.33Å; L1181-T1183 VanDerWaalsContact C-N 3.31Å; L1181-T1183 PolarHBondContact O-N 3.18Å; T1183-H1187 VanDerWaalsContact O-CB 3.31Å; T1183-H1187 WeakPolarHBondContact O-CB 3.35Å; T1183-H1187 PolarHBondContact O-N 3.05Å; T1183-L1236 HydrophobicContact CG2-CD1 3.81Å; T1183-L1242 HydrophobicContact CG2-CD1 4.07Å; T1183-L1242 HydrophobicContact CG2-CD2 4.03Å; T1183-L1320 HydrophobicContact CG2-CD1 4.39Å; T1183-L1320 WeakPolarHBondContact OG1-CD1 3.44Å |
| 1184 | Y | 94 | Very high | 86.1 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.4 | -48.2 | 179.7 | 179 | -102.4 | 0 | 0 | 0 | 112.4 | F1107 F1111 L1114 L1138 L1141 I1146 I1157 N1180 L1181 A1182 F1186 H1187 Q1188 | F1107-Y1184 HydrophobicContact CE2-CE1 4.2Å; F1107-Y1184 WeakPolarHBondContact CE2-OH 3.38Å; F1111-Y1184 HydrophobicContact CD2-CD1 4.05Å; F1111-Y1184 AromaticContact CD2-CE1 3.92Å; F1111-Y1184 HydrophobicContact CD2-CE1 3.92Å; F1111-Y1184 AromaticContact CE2-CD1 3.98Å; F1111-Y1184 HydrophobicContact CE2-CD1 4.01Å; F1111-Y1184 AromaticContact CE2-CE1 3.99Å; F1111-Y1184 HydrophobicContact CE2-CE1 4.03Å; L1114-Y1184 HydrophobicContact CD1-CD1 4.44Å; L1114-Y1184 HydrophobicContact CD1-CG 4.03Å; L1138-Y1184 HydrophobicContact CD1-CD2 4.28Å; L1138-Y1184 HydrophobicContact CD1-CG 4.45Å; L1141-Y1184 HydrophobicContact CB-CD2 4.38Å; L1141-Y1184 HydrophobicContact CB-CE2 4.02Å; L1141-Y1184 HydrophobicContact CD2-CD1 3.91Å; L1141-Y1184 HydrophobicContact CD2-CD2 3.81Å; L1141-Y1184 HydrophobicContact CD2-CE1 3.71Å; L1141-Y1184 HydrophobicContact CD2-CE2 3.62Å; L1141-Y1184 HydrophobicContact CD2-CG 3.96Å; L1141-Y1184 HydrophobicContact CG-CD2 4.11Å; L1141-Y1184 HydrophobicContact CG-CE1 4.27Å; L1141-Y1184 HydrophobicContact CG-CE2 3.52Å; L1141-Y1184 VanDerWaalsContact CG-CE2 3.48Å; I1146-Y1184 VanDerWaalsContact CD1-OH 3.24Å; I1146-Y1184 WeakPolarHBondContact CD1-OH 3.38Å; I1157-Y1184 HydrophobicContact CD1-CE1 4.42Å; N1180-Y1184 WeakPolarHBondContact O-CB 3.3Å; N1180-Y1184 PolarHBondContact O-N 3.03Å; N1180-Y1184 VanDerWaalsContact O-N 3.11Å; L1181-Y1184 PolarHBondContact O-N 3.03Å; L1181-Y1184 VanDerWaalsContact O-N 3.15Å; A1182-Y1184 PolarHBondContact O-N 3.22Å; Y1184-F1186 VanDerWaalsContact C-N 3.34Å; Y1184-F1186 PolarHBondContact O-N 2.97Å; Y1184-H1187 PolarHBondContact O-N 3.18Å; Y1184-Q1188 HydrophobicContact CD1-CG 4.41Å; Y1184-Q1188 HydrophobicContact CD2-CG 4.26Å; Y1184-Q1188 HydrophobicContact CE1-CG 3.94Å; Y1184-Q1188 HydrophobicContact CE2-CG 3.76Å; Y1184-Q1188 WeakPolarHBondContact O-CG 3.38Å; Y1184-Q1188 PolarHBondContact O-N 3.16Å |
| 1185 | L | 93.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 179.4 | -68.8 | 172.6 | 0 | 0 | 0 | 111.4 | F1111 I1157 E1160 A1161 L1164 L1181 A1182 Q1188 L1189 | F1111-L1185 HydrophobicContact CE2-CD2 3.82Å; F1111-L1185 HydrophobicContact CZ-CD2 3.94Å; I1157-L1185 HydrophobicContact CB-CD2 4.29Å; I1157-L1185 HydrophobicContact CG2-CD2 3.81Å; E1160-L1185 HydrophobicContact CB-CD1 4.2Å; E1160-L1185 HydrophobicContact CB-CD2 4.22Å; E1160-L1185 HydrophobicContact CG-CD1 4.23Å; E1160-L1185 HydrophobicContact CG-CD2 4.35Å; A1161-L1185 HydrophobicContact CB-CD1 4.31Å; A1161-L1185 HydrophobicContact CB-CD2 4.48Å; L1164-L1185 HydrophobicContact CD1-CD1 3.89Å; L1164-L1185 HydrophobicContact CD2-CD1 3.82Å; L1181-L1185 HydrophobicContact CD1-CD1 4.21Å; L1181-L1185 HydrophobicContact CD1-CG 4.2Å; L1181-L1185 HydrophobicContact CG-CD1 3.96Å; L1181-L1185 HydrophobicContact CG-CG 4.38Å; L1181-L1185 WeakPolarHBondContact O-CB 3.43Å; L1181-L1185 VanDerWaalsContact O-CG 3.28Å; L1181-L1185 WeakPolarHBondContact O-CG 3.43Å; L1181-L1185 PolarHBondContact O-N 3.11Å; A1182-L1185 PolarHBondContact O-N 3.23Å; L1185-Q1188 PolarHBondContact O-N 2.84Å; L1185-L1189 VanDerWaalsContact O-CB 3.3Å; L1185-L1189 WeakPolarHBondContact O-CB 3.32Å; L1185-L1189 VanDerWaalsContact O-CG 3.23Å; L1185-L1189 WeakPolarHBondContact O-CG 3.32Å; L1185-L1189 PolarHBondContact O-N 3.21Å |
| 1186 | F | 93.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | 175.4 | 176.8 | -88 | 0 | 0 | 0 | 112.1 | A1182 Y1184 Q1188 L1189 V1190 I1291 Y1323 L1324 M1327 Y1328 | A1182-F1186 VanDerWaalsContact O-CB 3.3Å; A1182-F1186 WeakPolarHBondContact O-CB 3.35Å; A1182-F1186 PolarHBondContact O-N 3.2Å; Y1184-F1186 VanDerWaalsContact C-N 3.34Å; Y1184-F1186 PolarHBondContact O-N 2.97Å; F1186-Q1188 VanDerWaalsContact C-N 3.31Å; F1186-Q1188 PolarHBondContact O-N 2.97Å; F1186-L1189 PolarHBondContact O-N 3.11Å; F1186-L1189 VanDerWaalsContact O-N 3.13Å; F1186-V1190 HydrophobicContact CD1-CB 4.42Å; F1186-V1190 HydrophobicContact CD1-CG2 4.41Å; F1186-V1190 HydrophobicContact CD2-CB 4.43Å; F1186-V1190 HydrophobicContact CD2-CG2 3.61Å; F1186-V1190 HydrophobicContact CE1-CB 4.25Å; F1186-V1190 HydrophobicContact CE1-CG1 4.38Å; F1186-V1190 HydrophobicContact CE1-CG2 4.41Å; F1186-V1190 HydrophobicContact CE2-CB 4.26Å; F1186-V1190 HydrophobicContact CE2-CG1 4.34Å; F1186-V1190 HydrophobicContact CE2-CG2 3.62Å; F1186-V1190 HydrophobicContact CG-CG2 4.04Å; F1186-V1190 HydrophobicContact CZ-CB 4.16Å; F1186-V1190 HydrophobicContact CZ-CG1 4Å; F1186-V1190 HydrophobicContact CZ-CG2 4.03Å; F1186-V1190 VanDerWaalsContact O-CB 3.28Å; F1186-V1190 WeakPolarHBondContact O-CB 3.34Å; F1186-V1190 WeakPolarHBondContact O-CG2 3.38Å; F1186-V1190 PolarHBondContact O-N 3.14Å; F1186-I1291 HydrophobicContact CB-CD1 3.41Å; F1186-I1291 VanDerWaalsContact CB-CD1 3.44Å; F1186-I1291 HydrophobicContact CB-CG1 4.01Å; F1186-I1291 HydrophobicContact CD1-CD1 4.07Å; F1186-I1291 HydrophobicContact CD2-CD1 3.45Å; F1186-I1291 VanDerWaalsContact CD2-CD1 3.45Å; F1186-I1291 HydrophobicContact CD2-CG1 4.26Å; F1186-I1291 HydrophobicContact CE2-CD1 4.17Å; F1186-I1291 HydrophobicContact CG-CD1 3.38Å; F1186-I1291 VanDerWaalsContact CG-CD1 3.42Å; F1186-I1291 HydrophobicContact CG-CG1 4.35Å; F1186-Y1323 AromaticContact CD1-CE1 3.78Å; F1186-Y1323 HydrophobicContact CD1-CE1 3.78Å; F1186-Y1323 AromaticContact CE1-CE1 3.8Å; F1186-Y1323 HydrophobicContact CE1-CE1 3.8Å; F1186-L1324 HydrophobicContact CD2-CD2 4.41Å; F1186-L1324 HydrophobicContact CE1-CD2 4.18Å; F1186-L1324 HydrophobicContact CE2-CD2 3.82Å; F1186-L1324 HydrophobicContact CZ-CD2 3.73Å; F1186-L1324 VanDerWaalsContact CZ-CD2 3.47Å; F1186-M1327 HydrophobicContact CE1-CE 3.68Å; F1186-M1327 HydrophobicContact CE1-SD 3.79Å; F1186-M1327 HydrophobicContact CZ-CE 3.89Å; F1186-M1327 HydrophobicContact CZ-SD 4.38Å; F1186-Y1328 AromaticContact CE2-CE2 3.7Å; F1186-Y1328 HydrophobicContact CE2-CE2 3.7Å; F1186-Y1328 AromaticContact CE2-CZ 3.93Å; F1186-Y1328 VanDerWaalsContact CE2-OH 3.3Å; F1186-Y1328 WeakPolarHBondContact CE2-OH 3.44Å; F1186-Y1328 AromaticContact CZ-CE2 3.57Å; F1186-Y1328 HydrophobicContact CZ-CE2 3.57Å; F1186-Y1328 AromaticContact CZ-CZ 3.83Å |
| 1187 | H | 91.4 | Very high | 78.7 | Confident | 8.6 Ų | 8.6 | 32.3 Ų | 32.3 | 4% | 0.04 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | -179.3 | -179.1 | 71.8 | 0 | 0 | 0 | 112.1 | T1183 Y1184 G1191 L1242 A1243 Y1323 | T1183-H1187 VanDerWaalsContact O-CB 3.31Å; T1183-H1187 WeakPolarHBondContact O-CB 3.35Å; T1183-H1187 PolarHBondContact O-N 3.05Å; Y1184-H1187 PolarHBondContact O-N 3.18Å; H1187-G1191 VanDerWaalsContact O-CA 3.3Å; H1187-G1191 WeakPolarHBondContact O-CA 3.38Å; H1187-G1191 PolarHBondContact O-N 3.36Å; H1187-L1242 PolarHBondContact CE1-O 3.09Å; H1187-L1242 VanDerWaalsContact CE1-O 3.24Å; H1187-L1242 PolarHBondContact NE2-O 3.16Å; H1187-A1243 PolarHBondContact NE2-O 2.92Å; H1187-Y1323 PolarHBondContact ND1-OH 3.23Å |
| 1188 | Q | 91.3 | Very high | 75.7 | Confident | 17.4 Ų | 17.4 | 38.7 Ų | 38.7 | 8% | 0.081 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.5 | -35.5 | 177.4 | -64.6 | -64.5 | -32.6 | 0 | 0 | 113.5 | I1157 Y1184 L1185 F1186 L1249 | I1157-Q1188 HydrophobicContact CD1-CB 4.36Å; I1157-Q1188 HydrophobicContact CD1-CG 4.41Å; I1157-Q1188 HydrophobicContact CG2-CB 4.42Å; Y1184-Q1188 HydrophobicContact CD1-CG 4.41Å; Y1184-Q1188 HydrophobicContact CD2-CG 4.26Å; Y1184-Q1188 HydrophobicContact CE1-CG 3.94Å; Y1184-Q1188 HydrophobicContact CE2-CG 3.76Å; Y1184-Q1188 WeakPolarHBondContact O-CG 3.38Å; Y1184-Q1188 PolarHBondContact O-N 3.16Å; L1185-Q1188 PolarHBondContact O-N 2.84Å; F1186-Q1188 VanDerWaalsContact C-N 3.31Å; F1186-Q1188 PolarHBondContact O-N 2.97Å; Q1188-L1249 HydrophobicContact CB-CB 4.49Å; Q1188-L1249 VanDerWaalsContact O-CB 3.24Å; Q1188-L1249 WeakPolarHBondContact O-CB 3.39Å; Q1188-L1249 PolarHBondContact O-N 3.35Å |
| 1189 | L | 91.8 | Very high | 72.8 | Confident | 3.6 Ų | 3.6 | 46.9 Ų | 46.9 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -85.4 | -29.3 | -176.8 | -68.3 | 172.6 | 0 | 0 | 0 | 113.9 | I1157 R1158 A1161 L1185 F1186 D1283 L1286 | I1157-L1189 HydrophobicContact CG2-CD1 4.43Å; I1157-L1189 HydrophobicContact CG2-CD2 4.02Å; I1157-L1189 HydrophobicContact CG2-CG 4.03Å; R1158-L1189 HydrophobicContact CG-CD2 4.05Å; A1161-L1189 HydrophobicContact CB-CD1 3.81Å; L1185-L1189 VanDerWaalsContact O-CB 3.3Å; L1185-L1189 WeakPolarHBondContact O-CB 3.32Å; L1185-L1189 VanDerWaalsContact O-CG 3.23Å; L1185-L1189 WeakPolarHBondContact O-CG 3.32Å; L1185-L1189 PolarHBondContact O-N 3.21Å; F1186-L1189 PolarHBondContact O-N 3.11Å; F1186-L1189 VanDerWaalsContact O-N 3.13Å; L1189-D1283 HydrophobicContact CB-CB 4.35Å; L1189-D1283 WeakPolarHBondContact CB-O 3.39Å; L1189-D1283 HydrophobicContact CD2-CB 3.97Å; L1189-L1286 HydrophobicContact CD1-CD2 4.4Å; L1189-L1286 HydrophobicContact CD1-CG 4.34Å |
| 1190 | V | 88.8 | Confident | 69.7 | Low | 19.6 Ų | 19.6 | 52.9 Ų | 52.9 | 12% | 0.119 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -104.1 | -29.7 | -175.9 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | F1186 M1327 | F1186-V1190 HydrophobicContact CD1-CB 4.42Å; F1186-V1190 HydrophobicContact CD1-CG2 4.41Å; F1186-V1190 HydrophobicContact CD2-CB 4.43Å; F1186-V1190 HydrophobicContact CD2-CG2 3.61Å; F1186-V1190 HydrophobicContact CE1-CB 4.25Å; F1186-V1190 HydrophobicContact CE1-CG1 4.38Å; F1186-V1190 HydrophobicContact CE1-CG2 4.41Å; F1186-V1190 HydrophobicContact CE2-CB 4.26Å; F1186-V1190 HydrophobicContact CE2-CG1 4.34Å; F1186-V1190 HydrophobicContact CE2-CG2 3.62Å; F1186-V1190 HydrophobicContact CG-CG2 4.04Å; F1186-V1190 HydrophobicContact CZ-CB 4.16Å; F1186-V1190 HydrophobicContact CZ-CG1 4Å; F1186-V1190 HydrophobicContact CZ-CG2 4.03Å; F1186-V1190 VanDerWaalsContact O-CB 3.28Å; F1186-V1190 WeakPolarHBondContact O-CB 3.34Å; F1186-V1190 WeakPolarHBondContact O-CG2 3.38Å; F1186-V1190 PolarHBondContact O-N 3.14Å; V1190-M1327 HydrophobicContact CG1-CE 3.98Å |
| 1191 | G | 82.2 | Confident | 66.5 | Low | 1.2 Ų | 1.2 | 57.4 Ų | 57.4 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | trans | 70.1 | -160.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1187 L1247 M1327 | H1187-G1191 VanDerWaalsContact O-CA 3.3Å; H1187-G1191 WeakPolarHBondContact O-CA 3.38Å; H1187-G1191 PolarHBondContact O-N 3.36Å; G1191-L1247 WeakPolarHBondContact CA-O 3.19Å; G1191-M1327 VanDerWaalsContact O-CE 3.28Å; G1191-M1327 WeakPolarHBondContact O-CE 3.44Å | ||
| 1192 | V | 75.6 | Confident | 63.4 | Low | 28.4 Ų | 28.4 | 61.7 Ų | 61.7 | 17% | 0.172 | 35% | 0.346 | C | S | . | . | trans | -124.1 | 78.8 | -179.5 | -174 | 0 | 0 | 0 | 0 | 108.9 | R1194 P1234 G1246 M1327 | V1192-R1194 PolarHBondContact O-N 3.01Å; V1192-R1194 VanDerWaalsContact O-N 3.1Å; V1192-P1234 HydrophobicContact CB-CG 4.43Å; V1192-P1234 HydrophobicContact CG1-CG 3.77Å; V1192-P1234 HydrophobicContact CG2-CG 3.78Å; V1192-G1246 CarbonylContact C-O 3.53Å; V1192-G1246 PolarHBondContact N-O 3.23Å; V1192-G1246 VanDerWaalsContact O-O 3.11Å; V1192-M1327 HydrophobicContact CB-SD 4.38Å; V1192-M1327 HydrophobicContact CG1-CE 3.83Å; V1192-M1327 HydrophobicContact CG1-SD 3.88Å | ||
| 1193 | V | 58.8 | Low | 60.4 | Low | 84.8 Ų | 84.8 | 69.9 Ų | 69.9 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | trans | -58.8 | 116.7 | -178.7 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | S1195 G1246 L1247 | V1193-S1195 PolarHBondContact O-N 3.37Å; V1193-G1246 WeakPolarHBondContact CG2-O 3.37Å; V1193-G1246 PolarHBondContact N-O 3.39Å; V1193-L1247 HydrophobicContact CG2-CD2 3.83Å | ||
| 1194 | R | 50 | Low | 57.2 | Low | 178.2 Ų | 178.2 | 74.8 Ų | 74.8 | 67% | 0.672 | 42% | 0.419 | S | S | * | . | trans | -76 | 136.3 | 169.3 | -63.7 | -177.1 | -177.7 | 178 | 2 | 108.8 | V1192 N1196 | V1192-R1194 PolarHBondContact O-N 3.01Å; V1192-R1194 VanDerWaalsContact O-N 3.1Å; R1194-N1196 VanDerWaalsContact C-N 3.29Å; R1194-N1196 PolarHBondContact O-N 3.27Å | ||
| 1195 | S | 34.8 | Very low | 54.2 | Low | 90.6 Ų | 90.6 | 80.2 Ų | 80.2 | 63% | 0.634 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -71.2 | 37.2 | -171.5 | 54.2 | 0 | 0 | 0 | 0 | 115 | V1193 | V1193-S1195 PolarHBondContact O-N 3.37Š|
| 1196 | N | 29.7 | Very low | 50.9 | Low | 144.4 Ų | 144.4 | 86.3 Ų | 86.3 | 77% | 0.772 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -124.7 | 116.2 | 164.1 | -80.4 | -1.1 | 0 | 0 | 0 | 107.5 | R1194 N1198 | R1194-N1196 VanDerWaalsContact C-N 3.29Å; R1194-N1196 PolarHBondContact O-N 3.27Å; N1196-N1198 PolarHBondContact O-N 3Å |
| 1197 | G | 30.3 | Very low | 47.8 | Very low | 78.4 Ų | 78.4 | 94.7 Ų | 94.7 | 81% | 0.808 | 52% | 0.521 | S | S | * | . | trans | -69.4 | 63.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1198 | N | 27.6 | Very low | 44.8 | Very low | 134.6 Ų | 134.6 | 100.6 Ų | 100.6 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | trans | -143.9 | 121.6 | 166.5 | -76.1 | -22.9 | 0 | 0 | 0 | 111.5 | N1196 L1200 | N1196-N1198 PolarHBondContact O-N 3Å; N1198-L1200 VanDerWaalsContact C-N 3.3Å; N1198-L1200 HydrophobicContact CB-CD1 3.99Å; N1198-L1200 PolarHBondContact O-N 3.13Å | ||
| 1199 | Y | 29.8 | Very low | 41.9 | Very low | 178.2 Ų | 178.2 | 104.2 Ų | 104.2 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | trans | -71.5 | 76.3 | 162.9 | -66.4 | -84.9 | 0 | 0 | 0 | 110 | L1247 M1251 | Y1199-L1247 HydrophobicContact CD1-CD2 3.97Å; Y1199-L1247 HydrophobicContact CE1-CD2 4.07Å; Y1199-M1251 HydrophobicContact CE1-CE 4.15Å | ||
| 1200 | L | 26.3 | Very low | 39 | Very low | 128.6 Ų | 128.6 | 109.8 Ų | 109.8 | 67% | 0.673 | 61% | 0.613 | S | S | * | * | trans | -107.7 | 137.7 | 172.7 | -105.7 | 94.7 | 0 | 0 | 0 | 110.4 | N1198 | N1198-L1200 VanDerWaalsContact C-N 3.3Å; N1198-L1200 HydrophobicContact CB-CD1 3.99Å; N1198-L1200 PolarHBondContact O-N 3.13Å | ||
| 1201 | P | 27.5 | Very low | 36.2 | Very low | 107.2 Ų | 107.2 | 115.8 Ų | 115.8 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | trans | -67.6 | 142.1 | 173.6 | 29 | -34.1 | 0 | 0 | 0 | 110.8 | Q1203 | P1201-Q1203 VanDerWaalsContact C-N 3.3Å; P1201-Q1203 PolarHBondContact O-N 3.06Å | ||
| 1202 | S | 27.7 | Very low | 33.8 | Very low | 90.2 Ų | 90.2 | 124.3 Ų | 124.3 | 63% | 0.631 | 68% | 0.682 | S | S | * | * | trans | -50.8 | 94.5 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 113.7 | N1042 | N1042-S1202 PolarHBondContact ND2-O 3.05Å; N1042-S1202 VanDerWaalsContact ND2-O 3.09Å | ||
| 1203 | Q | 29.8 | Very low | 31.6 | Very low | 172.2 Ų | 172.2 | 130.8 Ų | 130.8 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | trans | -88.5 | 139.1 | 164.1 | -79.1 | -176.7 | -2.5 | 0 | 0 | 110.8 | P1201 V1205 | P1201-Q1203 VanDerWaalsContact C-N 3.3Å; P1201-Q1203 PolarHBondContact O-N 3.06Å; Q1203-V1205 PolarHBondContact O-N 2.84Å | ||
| 1204 | S | 27.2 | Very low | 30.2 | Very low | 104.2 Ų | 104.2 | 134.1 Ų | 134.1 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | trans | -72.1 | 128.5 | -175.9 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | N1206 | S1204-N1206 PolarHBondContact O-N 2.85Š| ||
| 1205 | V | 30.5 | Very low | 29.4 | Very low | 113.4 Ų | 113.4 | 132 Ų | 132 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | trans | -117.2 | 103 | 169.2 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | Q1203 F1207 | Q1203-V1205 PolarHBondContact O-N 2.84Å; V1205-F1207 HydrophobicContact CG1-CD2 3.75Å; V1205-F1207 HydrophobicContact CG1-CE2 3.72Å; V1205-F1207 PolarHBondContact O-N 3.01Å | ||
| 1206 | N | 24.8 | Very low | 29.1 | Very low | 127.8 Ų | 127.8 | 136.1 Ų | 136.1 | 68% | 0.683 | 74% | 0.741 | S | S | * | * | trans | -86.6 | 117 | 169.6 | -74.4 | -28.5 | 0 | 0 | 0 | 109.5 | S1204 | S1204-N1206 PolarHBondContact O-N 2.85Š| ||
| 1207 | F | 28.2 | Very low | 29.2 | Very low | 176.8 Ų | 176.8 | 136.6 Ų | 136.6 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -134.5 | 116.6 | 158 | -87.1 | -72 | 0 | 0 | 0 | 110.2 | V1205 P1209 L1226 | V1205-F1207 HydrophobicContact CG1-CD2 3.75Å; V1205-F1207 HydrophobicContact CG1-CE2 3.72Å; V1205-F1207 PolarHBondContact O-N 3.01Å; F1207-P1209 WeakPolarHBondContact O-CD 3.31Å; F1207-L1226 HydrophobicContact CB-CD2 4.14Å; F1207-L1226 HydrophobicContact CD1-CD1 4.41Å; F1207-L1226 HydrophobicContact CD1-CD2 3.81Å; F1207-L1226 HydrophobicContact CD1-CG 4.18Å; F1207-L1226 HydrophobicContact CE1-CD1 4.41Å; F1207-L1226 HydrophobicContact CE1-CD2 4.47Å; F1207-L1226 HydrophobicContact CE1-CG 4.36Å; F1207-L1226 HydrophobicContact CG-CD2 3.93Å | ||
| 1208 | I | 27.7 | Very low | 29.3 | Very low | 133.6 Ų | 133.6 | 139.7 Ų | 139.7 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -111 | 118.5 | 179.2 | -59.9 | 170.6 | 0 | 0 | 0 | 107.7 | ||||
| 1209 | P | 30.1 | Very low | 29.5 | Very low | 91.4 Ų | 91.4 | 137.1 Ų | 137.1 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | trans | -74.7 | 143.4 | 168.3 | 20.5 | -18.2 | 0 | 0 | 0 | 110.5 | F1207 I1211 F1230 | F1207-P1209 WeakPolarHBondContact O-CD 3.31Å; P1209-I1211 PolarHBondContact O-N 2.92Å; P1209-F1230 HydrophobicContact CB-CE1 3.78Å; P1209-F1230 HydrophobicContact CB-CE2 4.22Å; P1209-F1230 HydrophobicContact CB-CZ 3.39Å; P1209-F1230 HydrophobicContact CG-CE1 3.88Å; P1209-F1230 HydrophobicContact CG-CZ 3.63Å | ||
| 1210 | P | 30.8 | Very low | 29.7 | Very low | 122.2 Ų | 122.2 | 133.6 Ų | 133.6 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -75.1 | 133.7 | -174.7 | 29.9 | -34.4 | 0 | 0 | 0 | 112.2 | ||||
| 1211 | I | 30.3 | Very low | 29.8 | Very low | 145.6 Ų | 145.6 | 135.2 Ų | 135.2 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -94.5 | 113.2 | 168.5 | -59.8 | 174.3 | 0 | 0 | 0 | 108.1 | P1209 Q1213 | P1209-I1211 PolarHBondContact O-N 2.92Å; I1211-Q1213 HydrophobicContact CG2-CG 4.44Å; I1211-Q1213 PolarHBondContact O-N 3.47Å | ||
| 1212 | H | 32.5 | Very low | 30.2 | Very low | 180.4 Ų | 180.4 | 136.7 Ų | 136.7 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -93.2 | 129.8 | 163.6 | -104.6 | -87.4 | 0 | 0 | 0 | 109.1 | ||||
| 1213 | Q | 29.2 | Very low | 30.3 | Very low | 163.6 Ų | 163.6 | 136.5 Ų | 136.5 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -66.3 | 131.5 | 161.5 | -67.1 | 166.1 | -50.6 | 0 | 0 | 110.3 | I1211 | I1211-Q1213 HydrophobicContact CG2-CG 4.44Å; I1211-Q1213 PolarHBondContact O-N 3.47Å | ||
| 1214 | D | 28.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 166.3 | 99.3 | 136.9 | -83.6 | -21.8 | 0 | 0 | 0 | 113.5 | ||||
| 1215 | T | 33.9 | Very low | 30.6 | Very low | 135.6 Ų | 135.6 | 132.2 Ų | 132.2 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 142.3 | 107.1 | 152.3 | -14.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1216 | E | 28.5 | Very low | 30.7 | Very low | 174.8 Ų | 174.8 | 129.9 Ų | 129.9 | 82% | 0.817 | 71% | 0.706 | S | S | * | * | trans | -42.2 | 131.3 | 158.4 | -58.2 | -174.7 | 147.6 | 0 | 0 | 115 | ||||
| 1217 | N | 31.3 | Very low | 31 | Very low | 155.2 Ų | 155.2 | 128.7 Ų | 128.7 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | trans | 154.3 | 94.3 | 147.2 | -85.5 | -55.1 | 0 | 0 | 0 | 114.3 | A1219 | N1217-A1219 PolarHBondContact O-N 2.94Š| ||
| 1218 | V | 32.5 | Very low | 31 | Very low | 143.2 Ų | 143.2 | 126.1 Ų | 126.1 | 87% | 0.868 | 69% | 0.688 | S | S | * | * | trans | -115.9 | 115.3 | 161 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | P1220 | V1218-P1220 WeakPolarHBondContact O-CD 3.49Š| ||
| 1219 | A | 30.9 | Very low | 31.5 | Very low | 80.4 Ų | 80.4 | 123.6 Ų | 123.6 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | trans | -117.3 | 146 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1217 N1221 I1573 | N1217-A1219 PolarHBondContact O-N 2.94Å; A1219-N1221 PolarHBondContact O-N 3.09Å; A1219-I1573 HydrophobicContact CB-CD1 3.8Å | ||
| 1220 | P | 34.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 66% | 0.664 | S | S | * | * | trans | -91 | 137.4 | -164.3 | 31.3 | -28.6 | 0 | 0 | 0 | 112 | V1218 I1222 | V1218-P1220 WeakPolarHBondContact O-CD 3.49Å; P1220-I1222 HydrophobicContact CG-CD1 4.39Å; P1220-I1222 HydrophobicContact CG-CG1 4.32Å; P1220-I1222 PolarHBondContact O-N 3.26Å; P1220-I1222 VanDerWaalsContact O-N 3.15Å | ||
| 1221 | N | 29 | Very low | 32.4 | Very low | 162.2 Ų | 162.2 | 123.5 Ų | 123.5 | 87% | 0.867 | 65% | 0.654 | S | S | * | * | trans | -71.8 | 104.6 | 171.6 | -72.3 | -34.8 | 0 | 0 | 0 | 111.7 | A1219 | A1219-N1221 PolarHBondContact O-N 3.09Š| ||
| 1222 | I | 35 | Very low | 33.9 | Very low | 138.4 Ų | 138.4 | 119.1 Ų | 119.1 | 71% | 0.71 | 64% | 0.64 | S | S | * | * | trans | -94.1 | 130 | 166.3 | -62.2 | 176.9 | 0 | 0 | 0 | 107.9 | N1055 P1220 I1224 | N1055-I1222 HydrophobicContact CB-CD1 4.48Å; P1220-I1222 HydrophobicContact CG-CD1 4.39Å; P1220-I1222 HydrophobicContact CG-CG1 4.32Å; P1220-I1222 PolarHBondContact O-N 3.26Å; P1220-I1222 VanDerWaalsContact O-N 3.15Å; I1222-I1224 PolarHBondContact O-N 3.02Å; I1222-I1224 VanDerWaalsContact O-N 3.11Å | ||
| 1223 | N | 30.4 | Very low | 35.9 | Very low | 86.2 Ų | 86.2 | 113.2 Ų | 113.2 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | trans | -59.9 | 113.4 | -172.9 | -100 | -20.2 | 0 | 0 | 0 | 112.5 | N1044 I1045 S1225 L1226 | N1044-N1223 PolarHBondContact O-ND2 3.21Å; I1045-N1223 HydrophobicContact CD1-CB 4.27Å; I1045-N1223 WeakPolarHBondContact CD1-OD1 3.13Å; I1045-N1223 HydrophobicContact CG2-CB 3.82Å; I1045-N1223 PolarHBondContact O-ND2 3.27Å; N1223-S1225 VanDerWaalsContact C-N 3.3Å; N1223-S1225 PolarHBondContact O-N 3.07Å; N1223-S1225 PolarHBondContact OD1-OG 3.46Å; N1223-L1226 HydrophobicContact CB-CB 4.42Å; N1223-L1226 HydrophobicContact CB-CD1 4.06Å; N1223-L1226 HydrophobicContact CB-CG 4.3Å; N1223-L1226 WeakPolarHBondContact O-CB 3.42Å; N1223-L1226 PolarHBondContact O-N 3.08Å; N1223-L1226 VanDerWaalsContact O-N 3.17Å | ||
| 1224 | I | 32.9 | Very low | 38.3 | Very low | 132.4 Ų | 132.4 | 106.5 Ų | 106.5 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -34.8 | 177.7 | -67.6 | 170.1 | 0 | 0 | 0 | 111.3 | I1222 L1226 M1227 E1228 | I1222-I1224 PolarHBondContact O-N 3.02Å; I1222-I1224 VanDerWaalsContact O-N 3.11Å; I1224-L1226 VanDerWaalsContact C-N 3.25Å; I1224-L1226 PolarHBondContact O-N 3.14Å; I1224-L1226 VanDerWaalsContact O-N 3.12Å; I1224-M1227 WeakPolarHBondContact O-CB 3.29Å; I1224-M1227 PolarHBondContact O-N 3.12Å; I1224-M1227 VanDerWaalsContact O-N 3.11Å; I1224-E1228 PolarHBondContact O-N 2.92Å |
| 1225 | S | 30.9 | Very low | 41 | Very low | 53 Ų | 53 | 103.4 Ų | 103.4 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.9 | -20.2 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | I1045 N1223 M1227 E1228 N1229 | I1045-S1225 WeakPolarHBondContact CD1-OG 3.4Å; I1045-S1225 WeakPolarHBondContact CG2-OG 3.21Å; N1223-S1225 VanDerWaalsContact C-N 3.3Å; N1223-S1225 PolarHBondContact O-N 3.07Å; N1223-S1225 PolarHBondContact OD1-OG 3.46Å; S1225-M1227 VanDerWaalsContact C-N 3.34Å; S1225-M1227 PolarHBondContact O-N 2.96Å; S1225-E1228 WeakPolarHBondContact CA-OE2 3.36Å; S1225-E1228 WeakPolarHBondContact CB-OE2 3.31Å; S1225-E1228 PolarHBondContact O-N 3.33Å; S1225-N1229 PolarHBondContact O-N 3.33Å; S1225-N1229 PolarHBondContact O-ND2 3.09Å |
| 1226 | L | 32.4 | Very low | 43.6 | Very low | 65.2 Ų | 65.2 | 97.6 Ų | 97.6 | 34% | 0.341 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.3 | -27.2 | 175.3 | -111.2 | 170.9 | 0 | 0 | 0 | 112.3 | I1045 F1046 F1047 F1207 N1223 I1224 F1230 | I1045-L1226 HydrophobicContact CG2-CB 4.46Å; I1045-L1226 HydrophobicContact CG2-CG 4.22Å; I1045-L1226 VanDerWaalsContact O-CD1 3.27Å; I1045-L1226 WeakPolarHBondContact O-CD1 3.5Å; I1045-L1226 WeakPolarHBondContact O-CG 3.38Å; F1046-L1226 WeakPolarHBondContact O-CD1 3.44Å; F1046-L1226 WeakPolarHBondContact O-CD2 3.39Å; F1047-L1226 HydrophobicContact CB-CD1 4.45Å; F1047-L1226 HydrophobicContact CD1-CD1 3.7Å; F1047-L1226 HydrophobicContact CD1-CD2 3.93Å; F1047-L1226 HydrophobicContact CD1-CG 4.49Å; F1047-L1226 HydrophobicContact CD2-CD2 4.44Å; F1047-L1226 HydrophobicContact CE1-CD1 4.11Å; F1047-L1226 HydrophobicContact CE1-CD2 3.47Å; F1047-L1226 VanDerWaalsContact CE1-CD2 3.47Å; F1047-L1226 HydrophobicContact CE1-CG 4.47Å; F1047-L1226 HydrophobicContact CE2-CD2 3.98Å; F1047-L1226 HydrophobicContact CG-CD1 3.99Å; F1047-L1226 HydrophobicContact CG-CD2 4.37Å; F1047-L1226 HydrophobicContact CZ-CD2 3.51Å; F1207-L1226 HydrophobicContact CB-CD2 4.14Å; F1207-L1226 HydrophobicContact CD1-CD1 4.41Å; F1207-L1226 HydrophobicContact CD1-CD2 3.81Å; F1207-L1226 HydrophobicContact CD1-CG 4.18Å; F1207-L1226 HydrophobicContact CE1-CD1 4.41Å; F1207-L1226 HydrophobicContact CE1-CD2 4.47Å; F1207-L1226 HydrophobicContact CE1-CG 4.36Å; F1207-L1226 HydrophobicContact CG-CD2 3.93Å; N1223-L1226 HydrophobicContact CB-CB 4.42Å; N1223-L1226 HydrophobicContact CB-CD1 4.06Å; N1223-L1226 HydrophobicContact CB-CG 4.3Å; N1223-L1226 WeakPolarHBondContact O-CB 3.42Å; N1223-L1226 PolarHBondContact O-N 3.08Å; N1223-L1226 VanDerWaalsContact O-N 3.17Å; I1224-L1226 VanDerWaalsContact C-N 3.25Å; I1224-L1226 PolarHBondContact O-N 3.14Å; I1224-L1226 VanDerWaalsContact O-N 3.12Å; L1226-F1230 HydrophobicContact CD2-CD2 4.39Å; L1226-F1230 HydrophobicContact CD2-CE2 4.11Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.23Å |
| 1227 | M | 30.6 | Very low | 46.3 | Very low | 102.4 Ų | 102.4 | 93.5 Ų | 93.5 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -77.2 | -35.6 | 176 | -66.6 | -114.2 | 65.1 | 0 | 0 | 111.7 | I1224 S1225 N1229 F1230 F1231 | I1224-M1227 WeakPolarHBondContact O-CB 3.29Å; I1224-M1227 PolarHBondContact O-N 3.12Å; I1224-M1227 VanDerWaalsContact O-N 3.11Å; S1225-M1227 VanDerWaalsContact C-N 3.34Å; S1225-M1227 PolarHBondContact O-N 2.96Å; M1227-N1229 VanDerWaalsContact C-N 3.31Å; M1227-N1229 PolarHBondContact O-N 3.11Å; M1227-F1230 CarbonylContact O-C 3.59Å; M1227-F1230 WeakPolarHBondContact O-CA 3.29Å; M1227-F1230 WeakPolarHBondContact O-CB 3.48Å; M1227-F1230 PolarHBondContact O-N 3.25Å; M1227-F1231 HydrophobicContact CB-CD2 4.05Å; M1227-F1231 HydrophobicContact CB-CE2 3.94Å; M1227-F1231 HydrophobicContact CB-CZ 4.29Å; M1227-F1231 HydrophobicContact CE-CE2 4.5Å; M1227-F1231 HydrophobicContact CE-CZ 4.06Å; M1227-F1231 WeakPolarHBondContact O-CD2 3.38Å; M1227-F1231 WeakPolarHBondContact O-CG 3.37Å; M1227-F1231 PolarHBondContact O-N 3.29Å; M1227-F1231 HydrophobicContact SD-CZ 4.47Å |
| 1228 | E | 29.7 | Very low | 48.9 | Very low | 122.4 Ų | 122.4 | 86.7 Ų | 86.7 | 57% | 0.572 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | -179.2 | -65.8 | 179.3 | 143.7 | 0 | 0 | 112.5 | I1224 S1225 F1230 F1231 A1232 | I1224-E1228 PolarHBondContact O-N 2.92Å; S1225-E1228 WeakPolarHBondContact CA-OE2 3.36Å; S1225-E1228 WeakPolarHBondContact CB-OE2 3.31Å; S1225-E1228 PolarHBondContact O-N 3.33Å; E1228-F1230 VanDerWaalsContact C-N 3.31Å; E1228-F1230 PolarHBondContact O-N 3.35Å; E1228-F1230 VanDerWaalsContact O-N 3.14Å; E1228-F1231 PolarHBondContact O-N 3.04Å; E1228-F1231 VanDerWaalsContact O-N 3.17Å; E1228-A1232 PolarHBondContact O-N 3.48Å |
| 1229 | N | 36.6 | Very low | 51.4 | Low | 81 Ų | 81 | 81.8 Ų | 81.8 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -26.2 | 175.1 | -75.8 | -33.8 | 0 | 0 | 0 | 113.8 | N1044 I1045 S1225 M1227 | N1044-N1229 WeakPolarHBondContact CA-OD1 3.29Å; I1045-N1229 PolarHBondContact N-OD1 2.95Å; S1225-N1229 PolarHBondContact O-N 3.33Å; S1225-N1229 PolarHBondContact O-ND2 3.09Å; M1227-N1229 VanDerWaalsContact C-N 3.31Å; M1227-N1229 PolarHBondContact O-N 3.11Å |
| 1230 | F | 36.7 | Very low | 54.1 | Low | 78.4 Ų | 78.4 | 78 Ų | 78 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -79.1 | -27.5 | 173.9 | -89.1 | -79.1 | 0 | 0 | 0 | 113.2 | F1047 P1048 F1143 P1209 L1226 M1227 E1228 A1232 Y1233 | F1047-F1230 AromaticContact CD1-CE2 3.66Å; F1047-F1230 HydrophobicContact CD1-CE2 3.66Å; F1047-F1230 AromaticContact CD1-CZ 3.82Å; F1047-F1230 HydrophobicContact CD1-CZ 3.82Å; F1047-F1230 HydrophobicContact CE1-CD2 4.31Å; F1047-F1230 HydrophobicContact CE1-CE1 4.4Å; F1047-F1230 AromaticContact CE1-CE2 3.24Å; F1047-F1230 HydrophobicContact CE1-CE2 3.24Å; F1047-F1230 AromaticContact CE1-CZ 3.32Å; F1047-F1230 HydrophobicContact CE1-CZ 3.32Å; F1047-F1230 AromaticContact CZ-CE2 3.85Å; F1047-F1230 HydrophobicContact CZ-CE2 4.16Å; F1047-F1230 HydrophobicContact CZ-CZ 4.22Å; F1047-F1230 WeakPolarHBondContact O-CE2 3.33Å; P1048-F1230 HydrophobicContact CB-CD1 4.44Å; P1048-F1230 HydrophobicContact CB-CD2 4.47Å; P1048-F1230 HydrophobicContact CB-CE1 4.3Å; P1048-F1230 HydrophobicContact CB-CE2 4.31Å; P1048-F1230 HydrophobicContact CB-CZ 4.28Å; P1048-F1230 VanDerWaalsContact CD-CE1 3.44Å; P1048-F1230 HydrophobicContact CG-CD1 3.89Å; P1048-F1230 HydrophobicContact CG-CE1 3.47Å; P1048-F1230 VanDerWaalsContact CG-CE1 3.47Å; P1048-F1230 HydrophobicContact CG-CE2 4.24Å; P1048-F1230 HydrophobicContact CG-CG 4.5Å; P1048-F1230 HydrophobicContact CG-CZ 3.71Å; F1143-F1230 AromaticContact CZ-CE1 3.86Å; F1143-F1230 HydrophobicContact CZ-CE1 4.14Å; P1209-F1230 HydrophobicContact CB-CE1 3.78Å; P1209-F1230 HydrophobicContact CB-CE2 4.22Å; P1209-F1230 HydrophobicContact CB-CZ 3.39Å; P1209-F1230 HydrophobicContact CG-CE1 3.88Å; P1209-F1230 HydrophobicContact CG-CZ 3.63Å; L1226-F1230 HydrophobicContact CD2-CD2 4.39Å; L1226-F1230 HydrophobicContact CD2-CE2 4.11Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.23Å; M1227-F1230 CarbonylContact O-C 3.59Å; M1227-F1230 WeakPolarHBondContact O-CA 3.29Å; M1227-F1230 WeakPolarHBondContact O-CB 3.48Å; M1227-F1230 PolarHBondContact O-N 3.25Å; E1228-F1230 VanDerWaalsContact C-N 3.31Å; E1228-F1230 PolarHBondContact O-N 3.35Å; E1228-F1230 VanDerWaalsContact O-N 3.14Å; F1230-A1232 VanDerWaalsContact C-N 3.32Å; F1230-A1232 PolarHBondContact O-N 3.04Å; F1230-Y1233 PolarHBondContact O-N 2.85Å |
| 1231 | F | 44.3 | Very low | 56.7 | Low | 132.6 Ų | 132.6 | 74.3 Ų | 74.3 | 58% | 0.582 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -75.5 | -7 | 177.1 | -68.5 | -59.9 | 0 | 0 | 0 | 113.9 | M1227 E1228 Y1233 R1570 R1571 | M1227-F1231 HydrophobicContact CB-CD2 4.05Å; M1227-F1231 HydrophobicContact CB-CE2 3.94Å; M1227-F1231 HydrophobicContact CB-CZ 4.29Å; M1227-F1231 HydrophobicContact CE-CE2 4.5Å; M1227-F1231 HydrophobicContact CE-CZ 4.06Å; M1227-F1231 WeakPolarHBondContact O-CD2 3.38Å; M1227-F1231 WeakPolarHBondContact O-CG 3.37Å; M1227-F1231 PolarHBondContact O-N 3.29Å; M1227-F1231 HydrophobicContact SD-CZ 4.47Å; E1228-F1231 PolarHBondContact O-N 3.04Å; E1228-F1231 VanDerWaalsContact O-N 3.17Å; F1231-Y1233 VanDerWaalsContact C-N 3.32Å; F1231-Y1233 PolarHBondContact O-N 2.98Å; F1231-R1570 HydrophobicContact CD1-CG 4.34Å; F1231-R1570 HydrophobicContact CE1-CG 4.15Å; F1231-R1570 PolarHBondContact O-NH1 2.75Å; F1231-R1570 PolarHBondContact O-NH2 2.81Å; F1231-R1571 HydrophobicContact CE1-CG 4.13Å; F1231-R1571 HydrophobicContact CE2-CG 4.32Å; F1231-R1571 HydrophobicContact CZ-CG 3.66Å |
| 1232 | A | 61.2 | Low | 59.5 | Low | 53.6 Ų | 53.6 | 66.6 Ų | 66.6 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -24 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1228 F1230 | E1228-A1232 PolarHBondContact O-N 3.48Å; F1230-A1232 VanDerWaalsContact C-N 3.32Å; F1230-A1232 PolarHBondContact O-N 3.04Å |
| 1233 | Y | 74.4 | Confident | 61.6 | Low | 56.4 Ų | 56.4 | 60.1 Ų | 60.1 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -95.2 | 144.2 | -175.8 | -55 | -47.7 | 0 | 0 | 0 | 112.5 | F1143 F1230 F1231 V1235 V1241 A1243 G1244 | F1143-Y1233 HydrophobicContact CE1-CE2 4.2Å; F1143-Y1233 HydrophobicContact CZ-CE2 4.41Å; F1230-Y1233 PolarHBondContact O-N 2.85Å; F1231-Y1233 VanDerWaalsContact C-N 3.32Å; F1231-Y1233 PolarHBondContact O-N 2.98Å; Y1233-V1235 PolarHBondContact O-N 3.19Å; Y1233-V1241 HydrophobicContact CD2-CG1 4.29Å; Y1233-V1241 HydrophobicContact CG-CG1 4.4Å; Y1233-A1243 HydrophobicContact CD1-CB 4.38Å; Y1233-A1243 HydrophobicContact CD2-CB 4.15Å; Y1233-A1243 HydrophobicContact CE1-CB 4.42Å; Y1233-A1243 HydrophobicContact CE2-CB 4.18Å; Y1233-A1243 HydrophobicContact CG-CB 4.28Å; Y1233-G1244 VanDerWaalsContact CE1-O 3.25Å; Y1233-G1244 WeakPolarHBondContact CE1-O 3.33Å |
| 1234 | P | 80.8 | Confident | 63.7 | Low | 23.4 Ų | 23.4 | 57.5 Ų | 57.5 | 15% | 0.152 | 33% | 0.328 | C | S | . | . | trans | -61.4 | 125.9 | 168.5 | -17.3 | 28.8 | 0 | 0 | 0 | 111 | V1192 L1242 Y1323 | V1192-P1234 HydrophobicContact CB-CG 4.43Å; V1192-P1234 HydrophobicContact CG1-CG 3.77Å; V1192-P1234 HydrophobicContact CG2-CG 3.78Å; P1234-L1242 HydrophobicContact CB-CB 4.24Å; P1234-L1242 HydrophobicContact CB-CD1 4.38Å; P1234-L1242 WeakPolarHBondContact CD-O 3.36Å; P1234-L1242 HydrophobicContact CG-CB 4.36Å; P1234-L1242 PolarHBondContact O-N 3.1Å; P1234-Y1323 HydrophobicContact CB-CD2 4.16Å; P1234-Y1323 HydrophobicContact CB-CE2 3.76Å; P1234-Y1323 HydrophobicContact CG-CE2 3.93Å | ||
| 1235 | V | 85.4 | Confident | 65.5 | Low | 89.6 Ų | 89.6 | 53.3 Ų | 53.3 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -109 | 124.2 | 169.1 | -173.5 | 0 | 0 | 0 | 0 | 108 | Y1233 A1240 V1241 | Y1233-V1235 PolarHBondContact O-N 3.19Å; V1235-A1240 WeakPolarHBondContact CA-O 3.38Å; V1235-V1241 HydrophobicContact CG1-CG2 4.39Å; V1235-V1241 HydrophobicContact CG2-CG1 4.39Å; V1235-V1241 HydrophobicContact CG2-CG2 4.18Å |
| 1236 | L | 88.2 | Confident | 67.6 | Low | 12.6 Ų | 12.6 | 51.5 Ų | 51.5 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | trans | -80.1 | 157.3 | 178.1 | -60 | -169.3 | 0 | 0 | 0 | 111 | T1183 T1238 G1239 A1240 L1242 A1319 Y1323 | T1183-L1236 HydrophobicContact CG2-CD1 3.81Å; L1236-T1238 VanDerWaalsContact CB-OG1 3.28Å; L1236-T1238 WeakPolarHBondContact CB-OG1 3.38Å; L1236-T1238 PolarHBondContact O-N 3.14Å; L1236-T1238 VanDerWaalsContact O-N 3.12Å; L1236-G1239 WeakPolarHBondContact O-CA 3.43Å; L1236-G1239 PolarHBondContact O-N 3.12Å; L1236-A1240 HydrophobicContact CB-CB 4.26Å; L1236-A1240 HydrophobicContact CD1-CB 4.15Å; L1236-A1240 HydrophobicContact CG-CB 4.33Å; L1236-A1240 PolarHBondContact N-O 3.43Å; L1236-L1242 HydrophobicContact CD1-CD1 4.31Å; L1236-L1242 HydrophobicContact CD1-CD2 4.5Å; L1236-L1242 HydrophobicContact CD2-CD1 4.07Å; L1236-L1242 HydrophobicContact CG-CD1 4.22Å; L1236-L1242 HydrophobicContact CG-CG 4.35Å; L1236-A1319 HydrophobicContact CB-CB 4.29Å; L1236-Y1323 HydrophobicContact CD2-CD1 4.38Å; L1236-Y1323 HydrophobicContact CD2-CD2 4.09Å; L1236-Y1323 HydrophobicContact CD2-CG 3.79Å | ||
| 1237 | S | 85.1 | Confident | 70 | Confident | 88.4 Ų | 88.4 | 50.6 Ų | 50.6 | 62% | 0.618 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.6 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | G1239 A1319 | S1237-G1239 VanDerWaalsContact C-N 3.26Å; S1237-G1239 PolarHBondContact O-N 3.07Å; S1237-A1319 WeakPolarHBondContact OG-CA 3.41Å; S1237-A1319 VanDerWaalsContact OG-CB 3.26Å; S1237-A1319 WeakPolarHBondContact OG-CB 3.36Å |
| 1238 | T | 86 | Confident | 72.6 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.3 | 167.1 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | R528 F1131 I1135 L1236 T1315 Q1316 A1319 | R528-T1238 PolarHBondContact NH1-O 3.02Å; R528-T1238 PolarHBondContact NH2-O 3.08Å; F1131-T1238 HydrophobicContact CZ-CG2 4.13Å; I1135-T1238 HydrophobicContact CD1-CG2 4.29Å; I1135-T1238 WeakPolarHBondContact CD1-O 3.31Å; L1236-T1238 VanDerWaalsContact CB-OG1 3.28Å; L1236-T1238 WeakPolarHBondContact CB-OG1 3.38Å; L1236-T1238 PolarHBondContact O-N 3.14Å; L1236-T1238 VanDerWaalsContact O-N 3.12Å; T1238-T1315 HydrophobicContact CG2-CG2 4.07Å; T1238-T1315 WeakPolarHBondContact CG2-O 3.29Å; T1238-Q1316 HydrophobicContact CG2-CB 4.5Å; T1238-Q1316 HydrophobicContact CG2-CG 4.15Å; T1238-A1319 HydrophobicContact CG2-CB 3.72Å |
| 1239 | G | 85.5 | Confident | 75.4 | Confident | 40.6 Ų | 40.6 | 40.4 Ų | 40.4 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 85.8 | 5.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1236 S1237 V1241 | L1236-G1239 WeakPolarHBondContact O-CA 3.43Å; L1236-G1239 PolarHBondContact O-N 3.12Å; S1237-G1239 VanDerWaalsContact C-N 3.26Å; S1237-G1239 PolarHBondContact O-N 3.07Å; G1239-V1241 PolarHBondContact O-N 3.16Å |
| 1240 | A | 87.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -71.3 | 133.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1135 L1138 T1139 V1235 L1236 | I1135-A1240 HydrophobicContact CD1-CB 4.38Å; I1135-A1240 HydrophobicContact CG2-CB 4.04Å; L1138-A1240 HydrophobicContact CD2-CB 3.81Å; L1138-A1240 HydrophobicContact CG-CB 4.37Å; T1139-A1240 WeakPolarHBondContact OG1-CA 3.3Å; V1235-A1240 WeakPolarHBondContact CA-O 3.38Å; L1236-A1240 HydrophobicContact CB-CB 4.26Å; L1236-A1240 HydrophobicContact CD1-CB 4.15Å; L1236-A1240 HydrophobicContact CG-CB 4.33Å; L1236-A1240 PolarHBondContact N-O 3.43Å | ||
| 1241 | V | 88.2 | Confident | 80 | Confident | 28 Ų | 28 | 35 Ų | 35 | 17% | 0.17 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -103.6 | 117.9 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | T1139 F1143 Y1233 V1235 G1239 A1243 | T1139-V1241 HydrophobicContact CG2-CB 3.92Å; T1139-V1241 HydrophobicContact CG2-CG2 4.37Å; T1139-V1241 PolarHBondContact OG1-N 3.38Å; F1143-V1241 HydrophobicContact CE2-CB 4.46Å; F1143-V1241 HydrophobicContact CE2-CG1 4.48Å; F1143-V1241 HydrophobicContact CZ-CG1 4.36Å; Y1233-V1241 HydrophobicContact CD2-CG1 4.29Å; Y1233-V1241 HydrophobicContact CG-CG1 4.4Å; V1235-V1241 HydrophobicContact CG1-CG2 4.39Å; V1235-V1241 HydrophobicContact CG2-CG1 4.39Å; V1235-V1241 HydrophobicContact CG2-CG2 4.18Å; G1239-V1241 PolarHBondContact O-N 3.16Å; V1241-A1243 VanDerWaalsContact C-N 3.3Å; V1241-A1243 PolarHBondContact O-N 3.09Å; V1241-A1243 VanDerWaalsContact O-N 3.09Å |
| 1242 | L | 87.9 | Confident | 81.9 | Confident | 0.4 Ų | 0.4 | 29.5 Ų | 29.5 | 0% | 0.002 | 20% | 0.2 | C | C | . | . | trans | -90.7 | 71 | -179.5 | -55.8 | -176.4 | 0 | 0 | 0 | 110.1 | T1183 H1187 P1234 L1236 Y1323 | T1183-L1242 HydrophobicContact CG2-CD1 4.07Å; T1183-L1242 HydrophobicContact CG2-CD2 4.03Å; H1187-L1242 PolarHBondContact CE1-O 3.09Å; H1187-L1242 VanDerWaalsContact CE1-O 3.24Å; H1187-L1242 PolarHBondContact NE2-O 3.16Å; P1234-L1242 HydrophobicContact CB-CB 4.24Å; P1234-L1242 HydrophobicContact CB-CD1 4.38Å; P1234-L1242 WeakPolarHBondContact CD-O 3.36Å; P1234-L1242 HydrophobicContact CG-CB 4.36Å; P1234-L1242 PolarHBondContact O-N 3.1Å; L1236-L1242 HydrophobicContact CD1-CD1 4.31Å; L1236-L1242 HydrophobicContact CD1-CD2 4.5Å; L1236-L1242 HydrophobicContact CD2-CD1 4.07Å; L1236-L1242 HydrophobicContact CG-CD1 4.22Å; L1236-L1242 HydrophobicContact CG-CG 4.35Å; L1242-Y1323 HydrophobicContact CD1-CD1 4.26Å; L1242-Y1323 HydrophobicContact CD1-CD2 4.39Å; L1242-Y1323 HydrophobicContact CD1-CE1 3.79Å; L1242-Y1323 HydrophobicContact CD1-CE2 3.9Å | ||
| 1243 | A | 80.1 | Confident | 83.1 | Confident | 1.6 Ų | 1.6 | 28.3 Ų | 28.3 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | trans | -67.2 | 153.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1142 F1143 H1187 Y1233 V1241 | C1142-A1243 CarbonylContact C-O 3.59Å; C1142-A1243 HydrophobicContact CB-CB 4.42Å; C1142-A1243 WeakPolarHBondContact CB-O 3.35Å; C1142-A1243 CarbonylContact O-C 3.39Å; C1142-A1243 VanDerWaalsContact O-O 3.11Å; F1143-A1243 HydrophobicContact CD1-CB 3.48Å; F1143-A1243 VanDerWaalsContact CD1-CB 3.48Å; F1143-A1243 HydrophobicContact CD2-CB 4.07Å; F1143-A1243 HydrophobicContact CE1-CB 3.44Å; F1143-A1243 VanDerWaalsContact CE1-CB 3.44Å; F1143-A1243 HydrophobicContact CE2-CB 4.03Å; F1143-A1243 HydrophobicContact CG-CB 3.79Å; F1143-A1243 HydrophobicContact CZ-CB 3.72Å; H1187-A1243 PolarHBondContact NE2-O 2.92Å; Y1233-A1243 HydrophobicContact CD1-CB 4.38Å; Y1233-A1243 HydrophobicContact CD2-CB 4.15Å; Y1233-A1243 HydrophobicContact CE1-CB 4.42Å; Y1233-A1243 HydrophobicContact CE2-CB 4.18Å; Y1233-A1243 HydrophobicContact CG-CB 4.28Å; V1241-A1243 VanDerWaalsContact C-N 3.3Å; V1241-A1243 PolarHBondContact O-N 3.09Å; V1241-A1243 VanDerWaalsContact O-N 3.09Å | ||
| 1244 | G | 74.2 | Confident | 83.6 | Confident | 33.4 Ų | 33.4 | 28.7 Ų | 28.7 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 156.4 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1233 G1246 | Y1233-G1244 VanDerWaalsContact CE1-O 3.25Å; Y1233-G1244 WeakPolarHBondContact CE1-O 3.33Å; G1244-G1246 PolarHBondContact O-N 3.18Å; G1244-G1246 VanDerWaalsContact O-N 3.1Å |
| 1245 | S | 70.4 | Confident | 83.7 | Confident | 43.2 Ų | 43.2 | 30.8 Ų | 30.8 | 30% | 0.302 | 20% | 0.197 | S | C | . | . | trans | -60.6 | -26.6 | 174.2 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | L1247 D1252 | S1245-L1247 VanDerWaalsContact C-N 3.33Å; S1245-L1247 PolarHBondContact O-N 2.78Å; S1245-L1247 PolarHBondContact OG-N 3.06Å; S1245-D1252 VanDerWaalsContact CB-OD1 3.26Å; S1245-D1252 WeakPolarHBondContact CB-OD1 3.38Å; S1245-D1252 VanDerWaalsContact CB-OD2 3.29Å; S1245-D1252 WeakPolarHBondContact CB-OD2 3.39Å; S1245-D1252 PolarHBondContact OG-OD1 3.22Å; S1245-D1252 VanDerWaalsContact OG-OD1 3.05Å; S1245-D1252 PolarHBondContact OG-OD2 3.34Å | ||
| 1246 | G | 74.8 | Confident | 83.3 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 86.2 | -6.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1192 V1193 G1244 | V1192-G1246 CarbonylContact C-O 3.53Å; V1192-G1246 PolarHBondContact N-O 3.23Å; V1192-G1246 VanDerWaalsContact O-O 3.11Å; V1193-G1246 WeakPolarHBondContact CG2-O 3.37Å; V1193-G1246 PolarHBondContact N-O 3.39Å; G1244-G1246 PolarHBondContact O-N 3.18Å; G1244-G1246 VanDerWaalsContact O-N 3.1Å |
| 1247 | L | 82.6 | Confident | 82.8 | Confident | 45.6 Ų | 45.6 | 33.3 Ų | 33.3 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -88.7 | 161.2 | 171.3 | -64 | 174.7 | 0 | 0 | 0 | 110.9 | G1191 V1193 Y1199 S1245 M1251 D1252 N1255 | G1191-L1247 WeakPolarHBondContact CA-O 3.19Å; V1193-L1247 HydrophobicContact CG2-CD2 3.83Å; Y1199-L1247 HydrophobicContact CD1-CD2 3.97Å; Y1199-L1247 HydrophobicContact CE1-CD2 4.07Å; S1245-L1247 VanDerWaalsContact C-N 3.33Å; S1245-L1247 PolarHBondContact O-N 2.78Å; S1245-L1247 PolarHBondContact OG-N 3.06Å; L1247-M1251 HydrophobicContact CB-CB 4.42Å; L1247-M1251 HydrophobicContact CD1-CG 4.33Å; L1247-M1251 HydrophobicContact CD2-CB 4.36Å; L1247-M1251 HydrophobicContact CD2-CG 4.02Å; L1247-D1252 WeakPolarHBondContact CB-OD1 3.19Å; L1247-D1252 WeakPolarHBondContact CD1-OD1 3.27Å; L1247-N1255 WeakPolarHBondContact CD1-ND2 3.26Å |
| 1248 | P | 86.3 | Confident | 82 | Confident | 5.6 Ų | 5.6 | 32.5 Ų | 32.5 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | trans | -58.6 | 139.3 | 164 | -19.9 | 30.9 | 0 | 0 | 0 | 110.5 | A1250 M1251 D1252 I1280 | P1248-A1250 PolarHBondContact O-N 3.17Å; P1248-A1250 VanDerWaalsContact O-N 3.08Å; P1248-M1251 HydrophobicContact CB-CB 4.49Å; P1248-M1251 WeakPolarHBondContact O-CA 3.37Å; P1248-M1251 WeakPolarHBondContact O-CB 3.32Å; P1248-M1251 PolarHBondContact O-N 3.1Å; P1248-D1252 PolarHBondContact O-N 3.12Å; P1248-D1252 VanDerWaalsContact O-N 3.17Å; P1248-I1280 HydrophobicContact CB-CG2 4.35Å; P1248-I1280 HydrophobicContact CG-CG2 3.87Å | ||
| 1249 | L | 86.8 | Confident | 80.6 | Confident | 4.6 Ų | 4.6 | 34.2 Ų | 34.2 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56 | -32.6 | -179.4 | -178.8 | 66.6 | 0 | 0 | 0 | 112.5 | I1146 H1147 I1154 I1157 Q1188 M1251 D1252 I1253 | I1146-L1249 HydrophobicContact CB-CD1 4.17Å; I1146-L1249 HydrophobicContact CG2-CD1 4.16Å; I1146-L1249 HydrophobicContact CG2-CD2 4.07Å; H1147-L1249 HydrophobicContact CB-CD1 3.93Å; I1154-L1249 HydrophobicContact CB-CD2 4.24Å; I1154-L1249 HydrophobicContact CD1-CB 4.32Å; I1154-L1249 HydrophobicContact CD1-CD2 4.25Å; I1154-L1249 HydrophobicContact CD1-CG 4.19Å; I1154-L1249 HydrophobicContact CG1-CD2 4.15Å; I1157-L1249 HydrophobicContact CD1-CD2 3.68Å; Q1188-L1249 HydrophobicContact CB-CB 4.49Å; Q1188-L1249 VanDerWaalsContact O-CB 3.24Å; Q1188-L1249 WeakPolarHBondContact O-CB 3.39Å; Q1188-L1249 PolarHBondContact O-N 3.35Å; L1249-M1251 VanDerWaalsContact C-N 3.27Å; L1249-M1251 PolarHBondContact O-N 3.1Å; L1249-D1252 PolarHBondContact O-N 2.96Å; L1249-I1253 HydrophobicContact CD1-CD1 4.44Å; L1249-I1253 HydrophobicContact CD1-CG1 4.46Å; L1249-I1253 HydrophobicContact CG-CD1 4.07Å; L1249-I1253 WeakPolarHBondContact O-CD1 3.38Å; L1249-I1253 VanDerWaalsContact O-CG1 3.24Å; L1249-I1253 WeakPolarHBondContact O-CG1 3.3Å; L1249-I1253 PolarHBondContact O-N 3.18Å; L1249-I1253 VanDerWaalsContact O-N 3.12Å |
| 1250 | A | 86.8 | Confident | 79 | Confident | 11.6 Ų | 11.6 | 36.2 Ų | 36.2 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -33.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1154 P1248 Y1254 I1280 | I1154-A1250 HydrophobicContact CD1-CB 3.83Å; P1248-A1250 PolarHBondContact O-N 3.17Å; P1248-A1250 VanDerWaalsContact O-N 3.08Å; A1250-Y1254 PolarHBondContact O-N 3Å; A1250-I1280 HydrophobicContact CB-CG1 4.25Å |
| 1251 | M | 85.1 | Confident | 76.8 | Confident | 35.2 Ų | 35.2 | 41 Ų | 41 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.6 | -39.9 | 178.5 | -166 | 65.4 | -174.1 | 0 | 0 | 111.4 | Y1199 L1247 P1248 L1249 I1253 Y1254 N1255 I1276 I1280 | Y1199-M1251 HydrophobicContact CE1-CE 4.15Å; L1247-M1251 HydrophobicContact CB-CB 4.42Å; L1247-M1251 HydrophobicContact CD1-CG 4.33Å; L1247-M1251 HydrophobicContact CD2-CB 4.36Å; L1247-M1251 HydrophobicContact CD2-CG 4.02Å; P1248-M1251 HydrophobicContact CB-CB 4.49Å; P1248-M1251 WeakPolarHBondContact O-CA 3.37Å; P1248-M1251 WeakPolarHBondContact O-CB 3.32Å; P1248-M1251 PolarHBondContact O-N 3.1Å; L1249-M1251 VanDerWaalsContact C-N 3.27Å; L1249-M1251 PolarHBondContact O-N 3.1Å; M1251-I1253 VanDerWaalsContact C-N 3.32Å; M1251-I1253 PolarHBondContact O-N 3.21Å; M1251-Y1254 HydrophobicContact CE-CD1 4.31Å; M1251-Y1254 HydrophobicContact CE-CE1 4.41Å; M1251-Y1254 PolarHBondContact O-N 3.1Å; M1251-Y1254 HydrophobicContact SD-CD1 4.23Å; M1251-N1255 WeakPolarHBondContact O-CB 3.43Å; M1251-N1255 VanDerWaalsContact O-CG 3.24Å; M1251-N1255 PolarHBondContact O-N 3.11Å; M1251-N1255 PolarHBondContact O-ND2 3.1Å; M1251-I1276 HydrophobicContact SD-CD1 4.04Å; M1251-I1276 HydrophobicContact SD-CG1 4.49Å; M1251-I1280 HydrophobicContact CB-CD1 3.88Å; M1251-I1280 HydrophobicContact CG-CD1 4.19Å; M1251-I1280 HydrophobicContact SD-CD1 3.56Å; M1251-I1280 VanDerWaalsContact SD-CD1 3.57Å; M1251-I1280 WeakPolarHBondContact SD-CD1 3.25Å |
| 1252 | D | 83.7 | Confident | 74.3 | Confident | 16.8 Ų | 16.8 | 44.2 Ų | 44.2 | 9% | 0.09 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 174.3 | -78 | -20.6 | 0 | 0 | 0 | 112 | H1147 S1245 L1247 P1248 L1249 Y1254 N1255 Y1256 | H1147-D1252 HydrophobicContact CB-CB 3.55Å; H1147-D1252 IonicContact CE1-OD2 3.54Å; H1147-D1252 IonicContact ND1-OD2 3.18Å; H1147-D1252 PolarHBondContact ND1-OD2 3.09Å; S1245-D1252 VanDerWaalsContact CB-OD1 3.26Å; S1245-D1252 WeakPolarHBondContact CB-OD1 3.38Å; S1245-D1252 VanDerWaalsContact CB-OD2 3.29Å; S1245-D1252 WeakPolarHBondContact CB-OD2 3.39Å; S1245-D1252 PolarHBondContact OG-OD1 3.22Å; S1245-D1252 VanDerWaalsContact OG-OD1 3.05Å; S1245-D1252 PolarHBondContact OG-OD2 3.34Å; L1247-D1252 WeakPolarHBondContact CB-OD1 3.19Å; L1247-D1252 WeakPolarHBondContact CD1-OD1 3.27Å; P1248-D1252 PolarHBondContact O-N 3.12Å; P1248-D1252 VanDerWaalsContact O-N 3.17Å; L1249-D1252 PolarHBondContact O-N 2.96Å; D1252-Y1254 VanDerWaalsContact C-N 3.32Å; D1252-Y1254 PolarHBondContact O-N 3.2Å; D1252-N1255 PolarHBondContact O-N 3.1Å; D1252-Y1256 WeakPolarHBondContact O-CB 3.34Å; D1252-Y1256 PolarHBondContact O-N 3.18Å |
| 1253 | I | 85.5 | Confident | 71.6 | Confident | 27.4 Ų | 27.4 | 51.5 Ų | 51.5 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.2 | -68.3 | 167 | 0 | 0 | 0 | 110.6 | H1147 P1151 I1154 L1249 M1251 Y1256 T1257 | H1147-I1253 HydrophobicContact CB-CG1 3.77Å; P1151-I1253 HydrophobicContact CB-CB 4.46Å; P1151-I1253 HydrophobicContact CB-CD1 3.88Å; P1151-I1253 HydrophobicContact CB-CG1 3.83Å; P1151-I1253 HydrophobicContact CB-CG2 3.8Å; P1151-I1253 WeakPolarHBondContact O-CD1 3.3Å; I1154-I1253 HydrophobicContact CB-CD1 4.17Å; I1154-I1253 HydrophobicContact CD1-CD1 4.01Å; I1154-I1253 HydrophobicContact CG2-CD1 4.19Å; L1249-I1253 HydrophobicContact CD1-CD1 4.44Å; L1249-I1253 HydrophobicContact CD1-CG1 4.46Å; L1249-I1253 HydrophobicContact CG-CD1 4.07Å; L1249-I1253 WeakPolarHBondContact O-CD1 3.38Å; L1249-I1253 VanDerWaalsContact O-CG1 3.24Å; L1249-I1253 WeakPolarHBondContact O-CG1 3.3Å; L1249-I1253 PolarHBondContact O-N 3.18Å; L1249-I1253 VanDerWaalsContact O-N 3.12Å; M1251-I1253 VanDerWaalsContact C-N 3.32Å; M1251-I1253 PolarHBondContact O-N 3.21Å; I1253-Y1256 PolarHBondContact O-N 3.18Å; I1253-T1257 WeakPolarHBondContact O-CG2 3.33Å; I1253-T1257 PolarHBondContact O-N 3.12Å; I1253-T1257 PolarHBondContact O-OG1 3.1Å |
| 1254 | Y | 85.3 | Confident | 69.4 | Low | 64.8 Ų | 64.8 | 60.1 Ų | 60.1 | 25% | 0.254 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | -179.9 | 176.2 | -102.3 | 0 | 0 | 0 | 113.1 | A1250 M1251 D1252 Y1256 T1257 N1258 D1273 I1276 | A1250-Y1254 PolarHBondContact O-N 3Å; M1251-Y1254 HydrophobicContact CE-CD1 4.31Å; M1251-Y1254 HydrophobicContact CE-CE1 4.41Å; M1251-Y1254 PolarHBondContact O-N 3.1Å; M1251-Y1254 HydrophobicContact SD-CD1 4.23Å; D1252-Y1254 VanDerWaalsContact C-N 3.32Å; D1252-Y1254 PolarHBondContact O-N 3.2Å; Y1254-Y1256 VanDerWaalsContact C-N 3.27Å; Y1254-Y1256 PolarHBondContact O-N 3.2Å; Y1254-T1257 WeakPolarHBondContact CA-OG1 3.39Å; Y1254-T1257 PolarHBondContact O-N 3.2Å; Y1254-T1257 PolarHBondContact O-OG1 3.11Å; Y1254-T1257 VanDerWaalsContact O-OG1 3.04Å; Y1254-N1258 WeakPolarHBondContact CE1-ND2 3.32Å; Y1254-N1258 VanDerWaalsContact CE2-ND2 3.3Å; Y1254-N1258 WeakPolarHBondContact CE2-ND2 3.38Å; Y1254-N1258 WeakPolarHBondContact O-CB 3.28Å; Y1254-N1258 VanDerWaalsContact O-CG 3.3Å; Y1254-N1258 PolarHBondContact O-N 3.26Å; Y1254-N1258 PolarHBondContact O-OD1 2.9Å; Y1254-N1258 PolarHBondContact OH-ND2 2.97Å; Y1254-D1273 PolarHBondContact OH-OD1 3.02Å; Y1254-I1276 HydrophobicContact CD1-CD1 3.66Å; Y1254-I1276 HydrophobicContact CD1-CG2 4.46Å; Y1254-I1276 HydrophobicContact CD2-CD1 3.7Å; Y1254-I1276 HydrophobicContact CD2-CG2 4.33Å; Y1254-I1276 HydrophobicContact CE1-CD1 4.3Å; Y1254-I1276 HydrophobicContact CE1-CG2 4.25Å; Y1254-I1276 HydrophobicContact CE2-CD1 4.4Å; Y1254-I1276 HydrophobicContact CE2-CG2 4.07Å; Y1254-I1276 HydrophobicContact CG-CD1 3.26Å |
| 1255 | N | 82.9 | Confident | 67.4 | Low | 68.6 Ų | 68.6 | 66.4 Ų | 66.4 | 37% | 0.367 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 174.5 | -72 | -19.5 | 0 | 0 | 0 | 110.9 | L1247 M1251 D1252 G1259 | L1247-N1255 WeakPolarHBondContact CD1-ND2 3.26Å; M1251-N1255 WeakPolarHBondContact O-CB 3.43Å; M1251-N1255 VanDerWaalsContact O-CG 3.24Å; M1251-N1255 PolarHBondContact O-N 3.11Å; M1251-N1255 PolarHBondContact O-ND2 3.1Å; D1252-N1255 PolarHBondContact O-N 3.1Å; N1255-G1259 PolarHBondContact O-N 3.17Å |
| 1256 | Y | 77.1 | Confident | 65.5 | Low | 88 Ų | 88 | 71.5 Ų | 71.5 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 176.3 | -176 | -104.2 | 0 | 0 | 0 | 112.7 | I1148 D1252 I1253 Y1254 N1258 G1259 T1260 | I1148-Y1256 HydrophobicContact CG1-CD2 4.4Å; I1148-Y1256 HydrophobicContact CG1-CE2 4.38Å; I1148-Y1256 HydrophobicContact CG2-CD2 4.41Å; I1148-Y1256 HydrophobicContact CG2-CE1 4.07Å; I1148-Y1256 HydrophobicContact CG2-CE2 3.85Å; D1252-Y1256 WeakPolarHBondContact O-CB 3.34Å; D1252-Y1256 PolarHBondContact O-N 3.18Å; I1253-Y1256 PolarHBondContact O-N 3.18Å; Y1254-Y1256 VanDerWaalsContact C-N 3.27Å; Y1254-Y1256 PolarHBondContact O-N 3.2Å; Y1256-N1258 VanDerWaalsContact C-N 3.31Å; Y1256-N1258 PolarHBondContact O-N 3.17Å; Y1256-G1259 PolarHBondContact O-N 3.18Å; Y1256-T1260 HydrophobicContact CD2-CG2 4.48Å; Y1256-T1260 HydrophobicContact CE1-CG2 4.42Å; Y1256-T1260 HydrophobicContact CE2-CG2 4.19Å; Y1256-T1260 WeakPolarHBondContact O-CG2 3.47Å; Y1256-T1260 PolarHBondContact O-N 3.09Å; Y1256-T1260 VanDerWaalsContact O-N 3.13Å; Y1256-T1260 PolarHBondContact O-OG1 3.05Å; Y1256-T1260 VanDerWaalsContact O-OG1 3.09Å |
| 1257 | T | 76.5 | Confident | 63.4 | Low | 67 Ų | 67 | 78 Ų | 78 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64 | -35.3 | 178.5 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | I1253 Y1254 T1260 T1261 | I1253-T1257 WeakPolarHBondContact O-CG2 3.33Å; I1253-T1257 PolarHBondContact O-N 3.12Å; I1253-T1257 PolarHBondContact O-OG1 3.1Å; Y1254-T1257 WeakPolarHBondContact CA-OG1 3.39Å; Y1254-T1257 PolarHBondContact O-N 3.2Å; Y1254-T1257 PolarHBondContact O-OG1 3.11Å; Y1254-T1257 VanDerWaalsContact O-OG1 3.04Å; T1257-T1260 PolarHBondContact O-OG1 3.06Å; T1257-T1260 VanDerWaalsContact O-OG1 3.13Å; T1257-T1261 WeakPolarHBondContact O-CG2 3.44Å |
| 1258 | N | 69.8 | Low | 61 | Low | 70.8 Ų | 70.8 | 85 Ų | 85 | 38% | 0.379 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -81.6 | -37.7 | -179.1 | -67 | 13.8 | 0 | 0 | 0 | 111.5 | Y1254 Y1256 T1260 T1261 | Y1254-N1258 WeakPolarHBondContact CE1-ND2 3.32Å; Y1254-N1258 VanDerWaalsContact CE2-ND2 3.3Å; Y1254-N1258 WeakPolarHBondContact CE2-ND2 3.38Å; Y1254-N1258 WeakPolarHBondContact O-CB 3.28Å; Y1254-N1258 VanDerWaalsContact O-CG 3.3Å; Y1254-N1258 PolarHBondContact O-N 3.26Å; Y1254-N1258 PolarHBondContact O-OD1 2.9Å; Y1254-N1258 PolarHBondContact OH-ND2 2.97Å; Y1256-N1258 VanDerWaalsContact C-N 3.31Å; Y1256-N1258 PolarHBondContact O-N 3.17Å; N1258-T1260 VanDerWaalsContact C-N 3.28Å; N1258-T1260 PolarHBondContact O-N 3.21Å; N1258-T1261 PolarHBondContact O-N 3.2Å; N1258-T1261 VanDerWaalsContact O-N 3.14Å; N1258-T1261 PolarHBondContact O-OG1 3.2Å; N1258-T1261 VanDerWaalsContact O-OG1 3.08Å |
| 1259 | G | 56.8 | Low | 58.4 | Low | 48.4 Ų | 48.4 | 89.5 Ų | 89.5 | 50% | 0.499 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -26.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | N1255 Y1256 T1261 S1262 | N1255-G1259 PolarHBondContact O-N 3.17Å; Y1256-G1259 PolarHBondContact O-N 3.18Å; G1259-T1261 VanDerWaalsContact C-N 3.29Å; G1259-T1261 PolarHBondContact O-N 3.33Å; G1259-S1262 PolarHBondContact O-OG 3.28Å |
| 1260 | T | 50.6 | Low | 56.1 | Low | 82.2 Ų | 82.2 | 98 Ų | 98 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.9 | 177.4 | 43 | 0 | 0 | 0 | 0 | 114.7 | Y1256 T1257 N1258 | Y1256-T1260 HydrophobicContact CD2-CG2 4.48Å; Y1256-T1260 HydrophobicContact CE1-CG2 4.42Å; Y1256-T1260 HydrophobicContact CE2-CG2 4.19Å; Y1256-T1260 WeakPolarHBondContact O-CG2 3.47Å; Y1256-T1260 PolarHBondContact O-N 3.09Å; Y1256-T1260 VanDerWaalsContact O-N 3.13Å; Y1256-T1260 PolarHBondContact O-OG1 3.05Å; Y1256-T1260 VanDerWaalsContact O-OG1 3.09Å; T1257-T1260 PolarHBondContact O-OG1 3.06Å; T1257-T1260 VanDerWaalsContact O-OG1 3.13Å; N1258-T1260 VanDerWaalsContact C-N 3.28Å; N1258-T1260 PolarHBondContact O-N 3.21Å |
| 1261 | T | 41.7 | Very low | 53.8 | Low | 102.8 Ų | 102.8 | 106.2 Ų | 106.2 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -1.5 | -175.6 | 52 | 0 | 0 | 0 | 0 | 115.2 | T1257 N1258 G1259 N1263 | T1257-T1261 WeakPolarHBondContact O-CG2 3.44Å; N1258-T1261 PolarHBondContact O-N 3.2Å; N1258-T1261 VanDerWaalsContact O-N 3.14Å; N1258-T1261 PolarHBondContact O-OG1 3.2Å; N1258-T1261 VanDerWaalsContact O-OG1 3.08Å; G1259-T1261 VanDerWaalsContact C-N 3.29Å; G1259-T1261 PolarHBondContact O-N 3.33Å; T1261-N1263 VanDerWaalsContact C-N 3.27Å; T1261-N1263 PolarHBondContact O-N 3.25Å |
| 1262 | S | 34.6 | Very low | 51.6 | Low | 95 Ų | 95 | 110.6 Ų | 110.6 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 49.6 | -173.8 | 67.2 | 0 | 0 | 0 | 0 | 114.8 | G1259 | G1259-S1262 PolarHBondContact O-OG 3.28Š|
| 1263 | N | 32.9 | Very low | 49.9 | Very low | 152.2 Ų | 152.2 | 114.2 Ų | 114.2 | 81% | 0.814 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.4 | 38.2 | 168.2 | -104.4 | -23.9 | 0 | 0 | 0 | 114.2 | T1261 | T1261-N1263 VanDerWaalsContact C-N 3.27Å; T1261-N1263 PolarHBondContact O-N 3.25Å |
| 1264 | H | 34.2 | Very low | 48.3 | Very low | 182.2 Ų | 182.2 | 119.6 Ų | 119.6 | 84% | 0.844 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -164 | 133.4 | 163.5 | -105.5 | -88.4 | 0 | 0 | 0 | 113.7 | ||
| 1265 | H | 31.2 | Very low | 47.7 | Very low | 165.8 Ų | 165.8 | 120.4 Ų | 120.4 | 77% | 0.768 | 64% | 0.639 | S | S | * | * | trans | 67.6 | 104.7 | 170.1 | -126.7 | -89.1 | 0 | 0 | 0 | 118.9 | L1267 | H1265-L1267 PolarHBondContact ND1-O 3.16Š| ||
| 1266 | L | 30.5 | Very low | 47.5 | Very low | 150.6 Ų | 150.6 | 118.1 Ų | 118.1 | 79% | 0.788 | 63% | 0.627 | S | S | * | * | trans | -61.8 | 153.6 | 151.4 | -72.7 | 161.1 | 0 | 0 | 0 | 112.6 | ||||
| 1267 | L | 31.6 | Very low | 47.5 | Very low | 153.2 Ų | 153.2 | 118.7 Ų | 118.7 | 80% | 0.802 | 64% | 0.636 | S | S | * | * | trans | 86.2 | 134.7 | 171.3 | -57.6 | 155.5 | 0 | 0 | 0 | 116.4 | H1265 | H1265-L1267 PolarHBondContact ND1-O 3.16Š| ||
| 1268 | E | 30.3 | Very low | 47.6 | Very low | 191.6 Ų | 191.6 | 120.1 Ų | 120.1 | 90% | 0.895 | 64% | 0.644 | S | S | * | * | trans | 69.3 | 77.8 | 166.9 | -56.2 | -168.2 | 171.1 | 0 | 0 | 119.4 | ||||
| 1269 | S | 33.5 | Very low | 48.2 | Very low | 99.8 Ų | 99.8 | 123.5 Ų | 123.5 | 70% | 0.698 | 65% | 0.652 | S | S | * | * | trans | -151.4 | 37.7 | 159.6 | 177.8 | 0 | 0 | 0 | 0 | 115.3 | K1271 N1272 | S1269-K1271 PolarHBondContact O-N 3.03Å; S1269-N1272 PolarHBondContact O-N 3.11Å | ||
| 1270 | E | 37.2 | Very low | 49.5 | Very low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 59.4 | 174.6 | -68.2 | -168.4 | 142.9 | 0 | 0 | 113.9 | ||
| 1271 | K | 38.2 | Very low | 51.1 | Low | 183.6 Ų | 183.6 | 121.5 Ų | 121.5 | 80% | 0.798 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.5 | 26.2 | -178.4 | -67 | 173 | -179.6 | 167.3 | 0 | 116.7 | S1269 | S1269-K1271 PolarHBondContact O-N 3.03Š|
| 1272 | N | 39.3 | Very low | 53.3 | Low | 126.8 Ų | 126.8 | 119.8 Ų | 119.8 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | trans | -130 | 10.2 | 176.3 | -84.7 | -27.1 | 0 | 0 | 0 | 116.7 | S1269 H1274 P1275 | S1269-N1272 PolarHBondContact O-N 3.11Å; N1272-H1274 VanDerWaalsContact C-N 3.31Å; N1272-H1274 PolarHBondContact O-N 3Å; N1272-P1275 VanDerWaalsContact O-CD 3.24Å; N1272-P1275 WeakPolarHBondContact O-CD 3.4Å; N1272-P1275 WeakPolarHBondContact O-CG 3.42Å | ||
| 1273 | D | 47.4 | Very low | 55.9 | Low | 92.8 Ų | 92.8 | 115.5 Ų | 115.5 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | trans | -82.2 | 3.3 | -176.5 | -59.8 | -51.8 | 0 | 0 | 0 | 114.9 | Y1254 P1275 I1276 | Y1254-D1273 PolarHBondContact OH-OD1 3.02Å; D1273-P1275 VanDerWaalsContact C-CD 3.47Å; D1273-P1275 VanDerWaalsContact O-CD 3.25Å; D1273-P1275 WeakPolarHBondContact O-CD 3.39Å; D1273-I1276 VanDerWaalsContact O-CG2 3.31Å; D1273-I1276 WeakPolarHBondContact O-CG2 3.28Å; D1273-I1276 PolarHBondContact O-N 3.09Å | ||
| 1274 | H | 53.3 | Low | 58.6 | Low | 141.4 Ų | 141.4 | 109 Ų | 109 | 66% | 0.655 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.5 | -28.1 | 172.7 | -79 | 61 | 0 | 0 | 0 | 114 | N1272 I1276 V1278 | N1272-H1274 VanDerWaalsContact C-N 3.31Å; N1272-H1274 PolarHBondContact O-N 3Å; H1274-I1276 VanDerWaalsContact C-N 3.33Å; H1274-I1276 PolarHBondContact O-N 3.27Å; H1274-V1278 WeakPolarHBondContact O-CG2 3.31Å; H1274-V1278 PolarHBondContact O-N 3.31Å |
| 1275 | P | 72.9 | Confident | 61.3 | Low | 80.2 Ų | 80.2 | 103.6 Ų | 103.6 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.7 | -14.5 | -173.3 | 27.4 | -35.5 | 0 | 0 | 0 | 113.5 | N1272 D1273 N1277 V1278 R1279 | N1272-P1275 VanDerWaalsContact O-CD 3.24Å; N1272-P1275 WeakPolarHBondContact O-CD 3.4Å; N1272-P1275 WeakPolarHBondContact O-CG 3.42Å; D1273-P1275 VanDerWaalsContact C-CD 3.47Å; D1273-P1275 VanDerWaalsContact O-CD 3.25Å; D1273-P1275 WeakPolarHBondContact O-CD 3.39Å; P1275-N1277 PolarHBondContact O-N 3.16Å; P1275-V1278 HydrophobicContact CG-CB 4.46Å; P1275-V1278 HydrophobicContact CG-CG2 3.9Å; P1275-V1278 WeakPolarHBondContact O-CB 3.44Å; P1275-V1278 PolarHBondContact O-N 3.37Å; P1275-R1279 WeakPolarHBondContact O-CB 3.41Å; P1275-R1279 WeakPolarHBondContact O-CD 3.38Å; P1275-R1279 WeakPolarHBondContact O-CG 3.41Å; P1275-R1279 PolarHBondContact O-N 3.17Å |
| 1276 | I | 77.5 | Confident | 64.2 | Low | 21.2 Ų | 21.2 | 97 Ų | 97 | 11% | 0.109 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -75.9 | -40.5 | -178.9 | -173.5 | 165.6 | 0 | 0 | 0 | 112.5 | M1251 Y1254 D1273 H1274 V1278 R1279 I1280 | M1251-I1276 HydrophobicContact SD-CD1 4.04Å; M1251-I1276 HydrophobicContact SD-CG1 4.49Å; Y1254-I1276 HydrophobicContact CD1-CD1 3.66Å; Y1254-I1276 HydrophobicContact CD1-CG2 4.46Å; Y1254-I1276 HydrophobicContact CD2-CD1 3.7Å; Y1254-I1276 HydrophobicContact CD2-CG2 4.33Å; Y1254-I1276 HydrophobicContact CE1-CD1 4.3Å; Y1254-I1276 HydrophobicContact CE1-CG2 4.25Å; Y1254-I1276 HydrophobicContact CE2-CD1 4.4Å; Y1254-I1276 HydrophobicContact CE2-CG2 4.07Å; Y1254-I1276 HydrophobicContact CG-CD1 3.26Å; D1273-I1276 VanDerWaalsContact O-CG2 3.31Å; D1273-I1276 WeakPolarHBondContact O-CG2 3.28Å; D1273-I1276 PolarHBondContact O-N 3.09Å; H1274-I1276 VanDerWaalsContact C-N 3.33Å; H1274-I1276 PolarHBondContact O-N 3.27Å; I1276-V1278 VanDerWaalsContact C-N 3.3Å; I1276-V1278 PolarHBondContact O-N 3.11Å; I1276-R1279 CarbonylContact O-C 3.45Å; I1276-R1279 WeakPolarHBondContact O-CA 3.3Å; I1276-R1279 WeakPolarHBondContact O-CB 3.36Å; I1276-R1279 PolarHBondContact O-N 3.14Å; I1276-I1280 HydrophobicContact CD1-CD1 4.25Å; I1276-I1280 HydrophobicContact CG1-CD1 3.78Å; I1276-I1280 HydrophobicContact CG1-CG1 4.12Å; I1276-I1280 WeakPolarHBondContact O-CG1 3.4Å; I1276-I1280 PolarHBondContact O-N 3.14Å |
| 1277 | N | 77.3 | Confident | 67.1 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 177.9 | -68.3 | -21.5 | 0 | 0 | 0 | 111.9 | P1275 R1279 I1280 A1281 | P1275-N1277 PolarHBondContact O-N 3.16Å; N1277-R1279 VanDerWaalsContact C-N 3.34Å; N1277-R1279 PolarHBondContact O-N 2.84Å; N1277-I1280 PolarHBondContact O-N 3.19Å; N1277-A1281 VanDerWaalsContact O-CB 3.32Å; N1277-A1281 WeakPolarHBondContact O-CB 3.27Å; N1277-A1281 PolarHBondContact O-N 3.23Å |
| 1278 | V | 79.6 | Confident | 70 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 58% | 0.582 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | H1274 P1275 I1276 A1281 S1282 | H1274-V1278 WeakPolarHBondContact O-CG2 3.31Å; H1274-V1278 PolarHBondContact O-N 3.31Å; P1275-V1278 HydrophobicContact CG-CB 4.46Å; P1275-V1278 HydrophobicContact CG-CG2 3.9Å; P1275-V1278 WeakPolarHBondContact O-CB 3.44Å; P1275-V1278 PolarHBondContact O-N 3.37Å; I1276-V1278 VanDerWaalsContact C-N 3.3Å; I1276-V1278 PolarHBondContact O-N 3.11Å; V1278-A1281 PolarHBondContact O-N 3.35Å; V1278-S1282 WeakPolarHBondContact O-CB 3.35Å; V1278-S1282 PolarHBondContact O-N 3.04Å; V1278-S1282 PolarHBondContact O-OG 3.27Å |
| 1279 | R | 81.6 | Confident | 72.9 | Confident | 141 Ų | 141 | 76.6 Ų | 76.6 | 53% | 0.532 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 176.5 | -136.2 | 177.2 | -104.6 | -116.2 | 3.5 | 111.5 | P1275 I1276 N1277 A1281 S1282 D1283 | P1275-R1279 WeakPolarHBondContact O-CB 3.41Å; P1275-R1279 WeakPolarHBondContact O-CD 3.38Å; P1275-R1279 WeakPolarHBondContact O-CG 3.41Å; P1275-R1279 PolarHBondContact O-N 3.17Å; I1276-R1279 CarbonylContact O-C 3.45Å; I1276-R1279 WeakPolarHBondContact O-CA 3.3Å; I1276-R1279 WeakPolarHBondContact O-CB 3.36Å; I1276-R1279 PolarHBondContact O-N 3.14Å; N1277-R1279 VanDerWaalsContact C-N 3.34Å; N1277-R1279 PolarHBondContact O-N 2.84Å; R1279-A1281 VanDerWaalsContact C-N 3.34Å; R1279-A1281 PolarHBondContact O-N 3.19Å; R1279-S1282 WeakPolarHBondContact CA-OG 3.46Å; R1279-S1282 CarbonylContact O-C 3.59Å; R1279-S1282 PolarHBondContact O-N 3.18Å; R1279-S1282 VanDerWaalsContact O-N 3.13Å; R1279-S1282 PolarHBondContact O-OG 3.08Å; R1279-D1283 WeakPolarHBondContact O-CB 3.37Å; R1279-D1283 PolarHBondContact O-N 3.29Å |
| 1280 | I | 84.1 | Confident | 75.6 | Confident | 23.2 Ų | 23.2 | 71.8 Ų | 71.8 | 12% | 0.119 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.7 | -68.6 | 167.3 | 0 | 0 | 0 | 110.8 | P1248 A1250 M1251 I1276 N1277 S1282 D1283 G1284 | P1248-I1280 HydrophobicContact CB-CG2 4.35Å; P1248-I1280 HydrophobicContact CG-CG2 3.87Å; A1250-I1280 HydrophobicContact CB-CG1 4.25Å; M1251-I1280 HydrophobicContact CB-CD1 3.88Å; M1251-I1280 HydrophobicContact CG-CD1 4.19Å; M1251-I1280 HydrophobicContact SD-CD1 3.56Å; M1251-I1280 VanDerWaalsContact SD-CD1 3.57Å; M1251-I1280 WeakPolarHBondContact SD-CD1 3.25Å; I1276-I1280 HydrophobicContact CD1-CD1 4.25Å; I1276-I1280 HydrophobicContact CG1-CD1 3.78Å; I1276-I1280 HydrophobicContact CG1-CG1 4.12Å; I1276-I1280 WeakPolarHBondContact O-CG1 3.4Å; I1276-I1280 PolarHBondContact O-N 3.14Å; N1277-I1280 PolarHBondContact O-N 3.19Å; I1280-S1282 VanDerWaalsContact C-N 3.33Å; I1280-S1282 PolarHBondContact O-N 3.1Å; I1280-D1283 PolarHBondContact O-N 3.13Å; I1280-G1284 PolarHBondContact O-N 3.2Å |
| 1281 | A | 83.8 | Confident | 78.3 | Confident | 66.8 Ų | 66.8 | 63 Ų | 63 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1277 V1278 R1279 G1284 E1285 | N1277-A1281 VanDerWaalsContact O-CB 3.32Å; N1277-A1281 WeakPolarHBondContact O-CB 3.27Å; N1277-A1281 PolarHBondContact O-N 3.23Å; V1278-A1281 PolarHBondContact O-N 3.35Å; R1279-A1281 VanDerWaalsContact C-N 3.34Å; R1279-A1281 PolarHBondContact O-N 3.19Å; A1281-G1284 PolarHBondContact O-N 3.02Å; A1281-E1285 PolarHBondContact O-N 3.23Å; A1281-E1285 VanDerWaalsContact O-N 3.12Å |
| 1282 | S | 88.1 | Confident | 80.8 | Confident | 66.4 Ų | 66.4 | 54.6 Ų | 54.6 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 177.2 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | V1278 R1279 I1280 L1286 | V1278-S1282 WeakPolarHBondContact O-CB 3.35Å; V1278-S1282 PolarHBondContact O-N 3.04Å; V1278-S1282 PolarHBondContact O-OG 3.27Å; R1279-S1282 WeakPolarHBondContact CA-OG 3.46Å; R1279-S1282 CarbonylContact O-C 3.59Å; R1279-S1282 PolarHBondContact O-N 3.18Å; R1279-S1282 VanDerWaalsContact O-N 3.13Å; R1279-S1282 PolarHBondContact O-OG 3.08Å; I1280-S1282 VanDerWaalsContact C-N 3.33Å; I1280-S1282 PolarHBondContact O-N 3.1Å; S1282-L1286 VanDerWaalsContact O-CB 3.25Å; S1282-L1286 WeakPolarHBondContact O-CB 3.34Å; S1282-L1286 PolarHBondContact O-N 2.94Å |
| 1283 | D | 90.1 | Very high | 83.1 | Confident | 4.2 Ų | 4.2 | 49.5 Ų | 49.5 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 174.2 | -73.8 | -31.7 | 0 | 0 | 0 | 110.8 | R1158 L1189 R1279 I1280 L1286 G1287 | R1158-D1283 WeakPolarHBondContact CD-OD1 3.34Å; R1158-D1283 IonicContact CZ-OD1 2.85Å; R1158-D1283 IonicContact CZ-OD2 3.56Å; R1158-D1283 IonicContact NE-OD1 3.01Å; R1158-D1283 PolarHBondContact NE-OD1 3Å; R1158-D1283 IonicContact NE-OD2 3.37Å; R1158-D1283 PolarHBondContact NE-OD2 3.17Å; R1158-D1283 IonicContact NH2-OD1 3.22Å; R1158-D1283 IonicContact NH2-OD2 3.25Å; R1158-D1283 PolarHBondContact NH2-OD2 3.36Å; L1189-D1283 HydrophobicContact CB-CB 4.35Å; L1189-D1283 WeakPolarHBondContact CB-O 3.39Å; L1189-D1283 HydrophobicContact CD2-CB 3.97Å; R1279-D1283 WeakPolarHBondContact O-CB 3.37Å; R1279-D1283 PolarHBondContact O-N 3.29Å; I1280-D1283 PolarHBondContact O-N 3.13Å; D1283-L1286 PolarHBondContact O-N 3.11Å; D1283-G1287 PolarHBondContact O-N 3.1Å |
| 1284 | G | 89 | Confident | 85.1 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1280 A1281 G1287 L1288 | I1280-G1284 PolarHBondContact O-N 3.2Å; A1281-G1284 PolarHBondContact O-N 3.02Å; G1284-G1287 PolarHBondContact O-N 3.16Å; G1284-L1288 PolarHBondContact O-N 3.04Å |
| 1285 | E | 90.5 | Very high | 86.9 | Confident | 67.8 Ų | 67.8 | 38.4 Ų | 38.4 | 32% | 0.317 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.6 | -37.2 | 175 | 179.3 | 58.9 | -153.7 | 0 | 0 | 111.7 | A1281 G1287 L1288 Q1289 R1337 | A1281-E1285 PolarHBondContact O-N 3.23Å; A1281-E1285 VanDerWaalsContact O-N 3.12Å; E1285-G1287 VanDerWaalsContact C-N 3.33Å; E1285-G1287 PolarHBondContact O-N 3.35Å; E1285-L1288 PolarHBondContact O-N 3.25Å; E1285-Q1289 HydrophobicContact CG-CG 4.33Å; E1285-Q1289 WeakPolarHBondContact O-CB 3.39Å; E1285-Q1289 VanDerWaalsContact O-CG 3.23Å; E1285-Q1289 WeakPolarHBondContact O-CG 3.4Å; E1285-Q1289 PolarHBondContact O-N 3.18Å; E1285-Q1289 VanDerWaalsContact OE1-CG 3.27Å; E1285-Q1289 WeakPolarHBondContact OE1-CG 3.32Å; E1285-Q1289 PolarHBondContact OE1-NE2 3.15Å; E1285-R1337 IonicContact OE1-CZ 3.14Å; E1285-R1337 IonicContact OE1-NH1 3.54Å; E1285-R1337 PolarHBondContact OE1-NH1 3.21Å; E1285-R1337 VanDerWaalsContact OE1-NH1 3.1Å; E1285-R1337 IonicContact OE1-NH2 3.08Å; E1285-R1337 PolarHBondContact OE1-NH2 3.1Å; E1285-R1337 IonicContact OE2-CZ 3.03Å; E1285-R1337 IonicContact OE2-NH1 3.71Å; E1285-R1337 PolarHBondContact OE2-NH1 2.97Å; E1285-R1337 IonicContact OE2-NH2 3.3Å; E1285-R1337 PolarHBondContact OE2-NH2 2.86Å |
| 1286 | L | 91.4 | Very high | 87.4 | Confident | 26.6 Ų | 26.6 | 35.4 Ų | 35.4 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.1 | 177.5 | 62.3 | 0 | 0 | 0 | 111.9 | R1158 A1161 K1162 V1165 L1189 S1282 D1283 Q1289 S1290 | R1158-L1286 HydrophobicContact CB-CD2 4.41Å; R1158-L1286 HydrophobicContact CG-CD2 4.45Å; A1161-L1286 HydrophobicContact CB-CD1 4.18Å; A1161-L1286 HydrophobicContact CB-CD2 4.09Å; A1161-L1286 HydrophobicContact CB-CG 3.88Å; K1162-L1286 HydrophobicContact CG-CD1 3.81Å; K1162-L1286 HydrophobicContact CG-CD2 4.14Å; V1165-L1286 HydrophobicContact CG2-CD1 4.3Å; L1189-L1286 HydrophobicContact CD1-CD2 4.4Å; L1189-L1286 HydrophobicContact CD1-CG 4.34Å; S1282-L1286 VanDerWaalsContact O-CB 3.25Å; S1282-L1286 WeakPolarHBondContact O-CB 3.34Å; S1282-L1286 PolarHBondContact O-N 2.94Å; D1283-L1286 PolarHBondContact O-N 3.11Å; L1286-Q1289 PolarHBondContact O-N 3.24Å; L1286-S1290 WeakPolarHBondContact O-CB 3.27Å; L1286-S1290 PolarHBondContact O-N 3.24Å; L1286-S1290 PolarHBondContact O-OG 2.98Å |
| 1287 | G | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -50.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1283 G1284 E1285 Q1289 S1290 I1291 | D1283-G1287 PolarHBondContact O-N 3.1Å; G1284-G1287 PolarHBondContact O-N 3.16Å; E1285-G1287 VanDerWaalsContact C-N 3.33Å; E1285-G1287 PolarHBondContact O-N 3.35Å; G1287-Q1289 PolarHBondContact O-N 3.32Å; G1287-S1290 PolarHBondContact O-N 3Å; G1287-S1290 PolarHBondContact O-OG 3.11Å; G1287-I1291 PolarHBondContact O-N 2.96Å; G1287-I1291 VanDerWaalsContact O-N 3.17Å |
| 1288 | L | 92.5 | Very high | 88.1 | Confident | 0.2 Ų | 0.2 | 34.2 Ų | 34.2 | 0% | 0.001 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 176.7 | 179.1 | 61.4 | 0 | 0 | 0 | 112.5 | G1284 E1285 S1290 I1291 L1292 Y1328 K1334 I1338 | G1284-L1288 PolarHBondContact O-N 3.04Å; E1285-L1288 PolarHBondContact O-N 3.25Å; L1288-S1290 VanDerWaalsContact C-N 3.3Å; L1288-S1290 PolarHBondContact O-N 3.17Å; L1288-I1291 WeakPolarHBondContact O-CB 3.29Å; L1288-I1291 PolarHBondContact O-N 3.22Å; L1288-L1292 HydrophobicContact CD1-CD1 4.15Å; L1288-L1292 HydrophobicContact CD1-CG 4.21Å; L1288-L1292 HydrophobicContact CD2-CD1 4.46Å; L1288-L1292 HydrophobicContact CG-CD1 3.89Å; L1288-L1292 HydrophobicContact CG-CG 4.37Å; L1288-L1292 VanDerWaalsContact O-CG 3.31Å; L1288-L1292 WeakPolarHBondContact O-CG 3.37Å; L1288-L1292 PolarHBondContact O-N 3.05Å; L1288-Y1328 HydrophobicContact CD1-CE2 3.97Å; L1288-K1334 HydrophobicContact CD2-CB 4.36Å; L1288-K1334 HydrophobicContact CD2-CD 3.82Å; L1288-K1334 HydrophobicContact CD2-CG 3.77Å; L1288-I1338 HydrophobicContact CD1-CD1 4.38Å; L1288-I1338 HydrophobicContact CD1-CG1 4.39Å |
| 1289 | Q | 91.3 | Very high | 88.3 | Confident | 66.8 Ų | 66.8 | 30.1 Ų | 30.1 | 31% | 0.312 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 177.1 | -68.9 | -74.2 | 8.6 | 0 | 0 | 112 | V1165 E1285 L1286 G1287 I1291 L1292 S1293 R1337 | V1165-Q1289 HydrophobicContact CG1-CB 4.39Å; V1165-Q1289 HydrophobicContact CG2-CB 3.76Å; E1285-Q1289 HydrophobicContact CG-CG 4.33Å; E1285-Q1289 WeakPolarHBondContact O-CB 3.39Å; E1285-Q1289 VanDerWaalsContact O-CG 3.23Å; E1285-Q1289 WeakPolarHBondContact O-CG 3.4Å; E1285-Q1289 PolarHBondContact O-N 3.18Å; E1285-Q1289 VanDerWaalsContact OE1-CG 3.27Å; E1285-Q1289 WeakPolarHBondContact OE1-CG 3.32Å; E1285-Q1289 PolarHBondContact OE1-NE2 3.15Å; L1286-Q1289 PolarHBondContact O-N 3.24Å; G1287-Q1289 PolarHBondContact O-N 3.32Å; Q1289-I1291 VanDerWaalsContact C-N 3.31Å; Q1289-I1291 PolarHBondContact O-N 3.09Å; Q1289-L1292 PolarHBondContact O-N 3.16Å; Q1289-L1292 VanDerWaalsContact O-N 3.11Å; Q1289-S1293 WeakPolarHBondContact O-CB 3.24Å; Q1289-S1293 PolarHBondContact O-N 3.02Å; Q1289-S1293 PolarHBondContact O-OG 3.04Å; Q1289-R1337 VanDerWaalsContact CD-NH2 3.3Å |
| 1290 | S | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -35 | 177.3 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | L1164 V1165 L1286 G1287 L1288 S1293 V1294 | L1164-S1290 WeakPolarHBondContact CD2-O 3.32Å; V1165-S1290 VanDerWaalsContact CG2-CA 3.48Å; V1165-S1290 VanDerWaalsContact CG2-N 3.32Å; L1286-S1290 WeakPolarHBondContact O-CB 3.27Å; L1286-S1290 PolarHBondContact O-N 3.24Å; L1286-S1290 PolarHBondContact O-OG 2.98Å; G1287-S1290 PolarHBondContact O-N 3Å; G1287-S1290 PolarHBondContact O-OG 3.11Å; L1288-S1290 VanDerWaalsContact C-N 3.3Å; L1288-S1290 PolarHBondContact O-N 3.17Å; S1290-S1293 PolarHBondContact O-N 3.35Å; S1290-S1293 PolarHBondContact O-OG 3.43Å; S1290-V1294 WeakPolarHBondContact O-CG2 3.45Å |
| 1291 | I | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.5 | -45.7 | 170.7 | -74.9 | -166.1 | 0 | 0 | 0 | 111.5 | A1182 F1186 G1287 L1288 Q1289 S1293 V1294 L1295 L1320 L1324 | A1182-I1291 HydrophobicContact CB-CG1 4.14Å; F1186-I1291 HydrophobicContact CB-CD1 3.41Å; F1186-I1291 VanDerWaalsContact CB-CD1 3.44Å; F1186-I1291 HydrophobicContact CB-CG1 4.01Å; F1186-I1291 HydrophobicContact CD1-CD1 4.07Å; F1186-I1291 HydrophobicContact CD2-CD1 3.45Å; F1186-I1291 VanDerWaalsContact CD2-CD1 3.45Å; F1186-I1291 HydrophobicContact CD2-CG1 4.26Å; F1186-I1291 HydrophobicContact CE2-CD1 4.17Å; F1186-I1291 HydrophobicContact CG-CD1 3.38Å; F1186-I1291 VanDerWaalsContact CG-CD1 3.42Å; F1186-I1291 HydrophobicContact CG-CG1 4.35Å; G1287-I1291 PolarHBondContact O-N 2.96Å; G1287-I1291 VanDerWaalsContact O-N 3.17Å; L1288-I1291 WeakPolarHBondContact O-CB 3.29Å; L1288-I1291 PolarHBondContact O-N 3.22Å; Q1289-I1291 VanDerWaalsContact C-N 3.31Å; Q1289-I1291 PolarHBondContact O-N 3.09Å; I1291-S1293 PolarHBondContact O-N 3.12Å; I1291-S1293 VanDerWaalsContact O-N 3.13Å; I1291-V1294 CarbonylContact O-C 3.55Å; I1291-V1294 WeakPolarHBondContact O-CA 3.33Å; I1291-V1294 PolarHBondContact O-N 3.12Å; I1291-L1295 HydrophobicContact CG2-CB 4.27Å; I1291-L1295 HydrophobicContact CG2-CD1 4.45Å; I1291-L1295 HydrophobicContact CG2-CD2 4.49Å; I1291-L1295 VanDerWaalsContact O-CB 3.32Å; I1291-L1295 WeakPolarHBondContact O-CB 3.39Å; I1291-L1295 PolarHBondContact O-N 3.28Å; I1291-L1320 HydrophobicContact CD1-CD1 3.71Å; I1291-L1320 HydrophobicContact CD1-CD2 4.33Å; I1291-L1320 HydrophobicContact CD1-CG 4.34Å; I1291-L1320 HydrophobicContact CG1-CD1 4.49Å; I1291-L1320 HydrophobicContact CG1-CD2 4.36Å; I1291-L1320 HydrophobicContact CG2-CD2 4.04Å; I1291-L1320 HydrophobicContact CG2-CG 4.19Å; I1291-L1324 HydrophobicContact CB-CD1 4.41Å; I1291-L1324 HydrophobicContact CD1-CD1 4.14Å; I1291-L1324 HydrophobicContact CD1-CD2 3.83Å; I1291-L1324 HydrophobicContact CD1-CG 4.29Å; I1291-L1324 HydrophobicContact CG1-CD2 4.42Å; I1291-L1324 HydrophobicContact CG2-CD1 3.5Å; I1291-L1324 VanDerWaalsContact CG2-CD1 3.46Å; I1291-L1324 HydrophobicContact CG2-CD2 4.1Å; I1291-L1324 HydrophobicContact CG2-CG 4.36Å |
| 1292 | L | 91.3 | Very high | 88.6 | Confident | 6.2 Ų | 6.2 | 24.9 Ų | 24.9 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.3 | -18.9 | -178.5 | -67.6 | 171.9 | 0 | 0 | 0 | 113.4 | L1288 Q1289 R1337 I1338 R1341 | L1288-L1292 HydrophobicContact CD1-CD1 4.15Å; L1288-L1292 HydrophobicContact CD1-CG 4.21Å; L1288-L1292 HydrophobicContact CD2-CD1 4.46Å; L1288-L1292 HydrophobicContact CG-CD1 3.89Å; L1288-L1292 HydrophobicContact CG-CG 4.37Å; L1288-L1292 VanDerWaalsContact O-CG 3.31Å; L1288-L1292 WeakPolarHBondContact O-CG 3.37Å; L1288-L1292 PolarHBondContact O-N 3.05Å; Q1289-L1292 PolarHBondContact O-N 3.16Å; Q1289-L1292 VanDerWaalsContact O-N 3.11Å; L1292-R1337 HydrophobicContact CD1-CB 4.11Å; L1292-R1337 VanDerWaalsContact CD1-NH2 3.32Å; L1292-R1337 HydrophobicContact CD2-CB 4.36Å; L1292-R1337 WeakPolarHBondContact CD2-O 3.48Å; L1292-I1338 HydrophobicContact CD2-CB 4.5Å; L1292-I1338 HydrophobicContact CD2-CG1 4.1Å; L1292-R1341 HydrophobicContact CB-CG 4.41Å; L1292-R1341 HydrophobicContact CD2-CB 4.41Å; L1292-R1341 HydrophobicContact CD2-CG 3.84Å; L1292-R1341 VanDerWaalsContact O-CD 3.32Å; L1292-R1341 WeakPolarHBondContact O-CD 3.44Å; L1292-R1341 PolarHBondContact O-NE 3.13Å; L1292-R1341 PolarHBondContact O-NH1 3.33Å; L1292-R1341 PolarHBondContact O-NH2 3.43Å |
| 1293 | S | 87.6 | Confident | 88.5 | Confident | 20.6 Ų | 20.6 | 24.1 Ų | 24.1 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -24 | 172.1 | -14.2 | 0 | 0 | 0 | 0 | 113.2 | L1164 L1168 Q1289 S1290 I1291 V1297 | L1164-S1293 WeakPolarHBondContact CD2-OG 3.16Å; L1164-S1293 VanDerWaalsContact O-CB 3.31Å; L1164-S1293 WeakPolarHBondContact O-CB 3.18Å; L1164-S1293 PolarHBondContact O-OG 3.02Å; L1168-S1293 VanDerWaalsContact CD1-O 3.25Å; L1168-S1293 WeakPolarHBondContact CD1-O 3.34Å; Q1289-S1293 WeakPolarHBondContact O-CB 3.24Å; Q1289-S1293 PolarHBondContact O-N 3.02Å; Q1289-S1293 PolarHBondContact O-OG 3.04Å; S1290-S1293 PolarHBondContact O-N 3.35Å; S1290-S1293 PolarHBondContact O-OG 3.43Å; I1291-S1293 PolarHBondContact O-N 3.12Å; I1291-S1293 VanDerWaalsContact O-N 3.13Å; S1293-V1297 VanDerWaalsContact O-CG2 3.22Å; S1293-V1297 WeakPolarHBondContact O-CG2 3.34Å |
| 1294 | V | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -35.9 | -176.7 | 171 | 0 | 0 | 0 | 0 | 112.3 | L1164 L1168 V1177 P1178 F1179 A1182 S1290 I1291 G1296 V1297 | L1164-V1294 HydrophobicContact CD1-CG2 4.22Å; L1164-V1294 HydrophobicContact CD2-CG2 3.77Å; L1164-V1294 VanDerWaalsContact CD2-CG2 3.49Å; L1164-V1294 HydrophobicContact CG-CG2 4.1Å; L1168-V1294 HydrophobicContact CD1-CG2 4.3Å; L1168-V1294 HydrophobicContact CD2-CG2 4.08Å; L1168-V1294 HydrophobicContact CG-CG2 4.5Å; V1177-V1294 HydrophobicContact CG1-CG1 3.64Å; P1178-V1294 HydrophobicContact CG-CG2 4.3Å; F1179-V1294 HydrophobicContact CD1-CG1 3.64Å; F1179-V1294 VanDerWaalsContact CD1-CG1 3.41Å; F1179-V1294 HydrophobicContact CE1-CG1 3.85Å; F1179-V1294 HydrophobicContact CG-CG1 4.37Å; A1182-V1294 HydrophobicContact CB-CB 4.33Å; A1182-V1294 HydrophobicContact CB-CG1 4.29Å; A1182-V1294 HydrophobicContact CB-CG2 4.26Å; S1290-V1294 WeakPolarHBondContact O-CG2 3.45Å; I1291-V1294 CarbonylContact O-C 3.55Å; I1291-V1294 WeakPolarHBondContact O-CA 3.33Å; I1291-V1294 PolarHBondContact O-N 3.12Å; V1294-G1296 PolarHBondContact O-N 3.23Å; V1294-V1297 VanDerWaalsContact O-CB 3.31Å; V1294-V1297 WeakPolarHBondContact O-CB 3.38Å; V1294-V1297 WeakPolarHBondContact O-CG2 3.34Å; V1294-V1297 PolarHBondContact O-N 3.08Å; V1294-V1297 VanDerWaalsContact O-N 3.15Å |
| 1295 | L | 90.2 | Very high | 88 | Confident | 1.8 Ų | 1.8 | 33.2 Ų | 33.2 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 133.2 | -178.1 | -160.8 | 70.2 | 0 | 0 | 0 | 111.3 | I1291 V1297 E1317 A1321 L1324 I1338 R1341 L1342 | I1291-L1295 HydrophobicContact CG2-CB 4.27Å; I1291-L1295 HydrophobicContact CG2-CD1 4.45Å; I1291-L1295 HydrophobicContact CG2-CD2 4.49Å; I1291-L1295 VanDerWaalsContact O-CB 3.32Å; I1291-L1295 WeakPolarHBondContact O-CB 3.39Å; I1291-L1295 PolarHBondContact O-N 3.28Å; L1295-V1297 VanDerWaalsContact C-N 3.28Å; L1295-V1297 PolarHBondContact O-N 3.2Å; L1295-E1317 HydrophobicContact CD1-CG 4.16Å; L1295-A1321 HydrophobicContact CD1-CB 4.42Å; L1295-L1324 HydrophobicContact CD1-CD1 4.41Å; L1295-L1324 HydrophobicContact CD2-CD1 4.21Å; L1295-I1338 HydrophobicContact CD2-CG2 3.86Å; L1295-R1341 HydrophobicContact CB-CB 4.32Å; L1295-R1341 HydrophobicContact CD2-CB 4.33Å; L1295-R1341 HydrophobicContact CG-CB 4.42Å; L1295-L1342 HydrophobicContact CD1-CD2 3.91Å; L1295-L1342 HydrophobicContact CD1-CG 4.38Å; L1295-L1342 HydrophobicContact CD2-CD1 4.22Å; L1295-L1342 HydrophobicContact CD2-CD2 4.18Å; L1295-L1342 HydrophobicContact CD2-CG 3.86Å; L1295-L1342 HydrophobicContact CG-CD2 3.87Å; L1295-L1342 HydrophobicContact CG-CG 4.05Å |
| 1296 | G | 83.3 | Confident | 87.8 | Confident | 15.8 Ų | 15.8 | 30.5 Ų | 30.5 | 16% | 0.163 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -6.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | V1294 K1298 E1317 R1341 | V1294-G1296 PolarHBondContact O-N 3.23Å; G1296-K1298 PolarHBondContact O-N 3.22Å; G1296-K1298 VanDerWaalsContact O-N 3.15Å; G1296-E1317 VanDerWaalsContact CA-OE1 3.29Å; G1296-E1317 WeakPolarHBondContact CA-OE1 3.32Å; G1296-E1317 PolarHBondContact N-OE1 3.32Å; G1296-R1341 VanDerWaalsContact CA-O 3.25Å; G1296-R1341 WeakPolarHBondContact CA-O 3.4Å |
| 1297 | V | 85.5 | Confident | 87.8 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | trans | -73.8 | 116.8 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L1168 K1173 V1177 S1293 V1294 L1295 | L1168-V1297 HydrophobicContact CD1-CG1 4.24Å; L1168-V1297 HydrophobicContact CD1-CG2 3.98Å; L1168-V1297 HydrophobicContact CD2-CG1 4.26Å; L1168-V1297 HydrophobicContact CD2-CG2 4.28Å; K1173-V1297 HydrophobicContact CG-CG1 4.49Å; V1177-V1297 HydrophobicContact CG1-CB 4.25Å; V1177-V1297 HydrophobicContact CG2-CB 4.37Å; V1177-V1297 HydrophobicContact CG2-CG1 3.97Å; V1177-V1297 WeakPolarHBondContact CG2-O 3.39Å; S1293-V1297 VanDerWaalsContact O-CG2 3.22Å; S1293-V1297 WeakPolarHBondContact O-CG2 3.34Å; V1294-V1297 VanDerWaalsContact O-CB 3.31Å; V1294-V1297 WeakPolarHBondContact O-CB 3.38Å; V1294-V1297 WeakPolarHBondContact O-CG2 3.34Å; V1294-V1297 PolarHBondContact O-N 3.08Å; V1294-V1297 VanDerWaalsContact O-N 3.15Å; L1295-V1297 VanDerWaalsContact C-N 3.28Å; L1295-V1297 PolarHBondContact O-N 3.2Å | ||
| 1298 | K | 84.4 | Confident | 87.7 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 32% | 0.317 | 17% | 0.168 | S | C | . | . | trans | -98.8 | 131.4 | 176.6 | -59.9 | -144 | -174.1 | -178.1 | 0 | 110.9 | G1296 E1317 D1344 Y1347 M1825 | G1296-K1298 PolarHBondContact O-N 3.22Å; G1296-K1298 VanDerWaalsContact O-N 3.15Å; K1298-E1317 IonicContact NZ-OE1 3.31Å; K1298-E1317 PolarHBondContact NZ-OE1 3.19Å; K1298-E1317 IonicContact NZ-OE2 3.16Å; K1298-E1317 PolarHBondContact NZ-OE2 3.08Å; K1298-D1344 IonicContact NZ-OD1 3.85Å; K1298-D1344 IonicContact NZ-OD2 3.4Å; K1298-D1344 PolarHBondContact NZ-OD2 3.18Å; K1298-Y1347 HydrophobicContact CD-CD2 4.16Å; K1298-Y1347 HydrophobicContact CD-CE2 3.39Å; K1298-Y1347 HydrophobicContact CG-CE2 4.03Å; K1298-Y1347 VanDerWaalsContact NZ-CD2 3.33Å; K1298-M1825 HydrophobicContact CD-CE 4.43Å | ||
| 1299 | S | 85 | Confident | 87.7 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | trans | -59.4 | 152.9 | 172.7 | 164.5 | 0 | 0 | 0 | 0 | 111.8 | D1174 I1175 V1301 I1310 Q1313 Q1819 | D1174-S1299 PolarHBondContact O-OG 3.22Å; I1175-S1299 VanDerWaalsContact O-CB 3.23Å; I1175-S1299 WeakPolarHBondContact O-CB 3.31Å; I1175-S1299 PolarHBondContact O-OG 2.91Å; S1299-V1301 VanDerWaalsContact C-N 3.33Å; S1299-V1301 WeakPolarHBondContact OG-CB 3.15Å; S1299-V1301 VanDerWaalsContact OG-CG2 3.29Å; S1299-V1301 WeakPolarHBondContact OG-CG2 3.39Å; S1299-V1301 PolarHBondContact OG-N 3.12Å; S1299-V1301 VanDerWaalsContact OG-N 3.14Å; S1299-I1310 VanDerWaalsContact OG-CD1 3.25Å; S1299-I1310 WeakPolarHBondContact OG-CD1 3.21Å; S1299-Q1313 VanDerWaalsContact CB-OE1 3.26Å; S1299-Q1313 PolarHBondContact OG-OE1 3.18Å; S1299-Q1819 VanDerWaalsContact O-CG 3.26Å; S1299-Q1819 WeakPolarHBondContact O-CG 3.4Å; S1299-Q1819 PolarHBondContact O-NE2 3.03Å; S1299-Q1819 VanDerWaalsContact O-NE2 3.16Å; S1299-Q1819 PolarHBondContact OG-NE2 3.3Å | ||
| 1300 | R | 84.2 | Confident | 87.7 | Confident | 84.4 Ų | 84.4 | 32.6 Ų | 32.6 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | trans | -94.5 | 9.5 | 174.1 | -58.8 | -171.9 | -178.2 | -154.8 | -7.7 | 113.3 | D1174 P1816 | D1174-R1300 HydrophobicContact CB-CB 4.44Å; D1174-R1300 HydrophobicContact CB-CG 4.36Å; D1174-R1300 VanDerWaalsContact CG-CD 3.49Å; D1174-R1300 WeakPolarHBondContact O-CA 3.4Å; D1174-R1300 WeakPolarHBondContact O-CB 3.39Å; D1174-R1300 PolarHBondContact O-N 3.24Å; D1174-R1300 VanDerWaalsContact OD1-CD 3.29Å; D1174-R1300 WeakPolarHBondContact OD1-CD 3.21Å; D1174-R1300 IonicContact OD1-CZ 3.28Å; D1174-R1300 IonicContact OD1-NE 3.05Å; D1174-R1300 PolarHBondContact OD1-NE 3.28Å; D1174-R1300 IonicContact OD1-NH1 3.48Å; D1174-R1300 PolarHBondContact OD1-NH1 3.12Å; D1174-R1300 IonicContact OD1-NH2 3.59Å; D1174-R1300 WeakPolarHBondContact OD2-CD 3.29Å; D1174-R1300 IonicContact OD2-CZ 3.23Å; D1174-R1300 IonicContact OD2-NE 3.02Å; D1174-R1300 IonicContact OD2-NH1 3.5Å; D1174-R1300 PolarHBondContact OD2-NH1 3.03Å; R1300-P1816 HydrophobicContact CB-CB 4.09Å; R1300-P1816 HydrophobicContact CB-CG 4.25Å; R1300-P1816 WeakPolarHBondContact CD-O 3.29Å; R1300-P1816 PolarHBondContact NH1-O 3.06Å | ||
| 1301 | V | 86.1 | Confident | 87.6 | Confident | 5.4 Ų | 5.4 | 35.3 Ų | 35.3 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -70.5 | 133.1 | 177 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | V879 P1120 I1175 S1299 E1303 F1306 F1309 I1310 Q1819 | V879-V1301 HydrophobicContact CG2-CG2 3.87Å; P1120-V1301 HydrophobicContact CB-CG1 4.18Å; P1120-V1301 HydrophobicContact CG-CG1 4.47Å; P1120-V1301 HydrophobicContact CG-CG2 4.46Å; I1175-V1301 HydrophobicContact CB-CG2 4.37Å; I1175-V1301 HydrophobicContact CG1-CG2 4.47Å; I1175-V1301 HydrophobicContact CG2-CG2 3.98Å; S1299-V1301 VanDerWaalsContact C-N 3.33Å; S1299-V1301 WeakPolarHBondContact OG-CB 3.15Å; S1299-V1301 VanDerWaalsContact OG-CG2 3.29Å; S1299-V1301 WeakPolarHBondContact OG-CG2 3.39Å; S1299-V1301 PolarHBondContact OG-N 3.12Å; S1299-V1301 VanDerWaalsContact OG-N 3.14Å; V1301-E1303 PolarHBondContact O-N 3.01Å; V1301-E1303 VanDerWaalsContact O-N 3.13Å; V1301-F1306 HydrophobicContact CG1-CB 3.7Å; V1301-F1306 HydrophobicContact CG1-CD2 3.41Å; V1301-F1306 VanDerWaalsContact CG1-CD2 3.42Å; V1301-F1306 HydrophobicContact CG1-CE2 4.25Å; V1301-F1306 HydrophobicContact CG1-CG 3.77Å; V1301-F1309 HydrophobicContact CB-CD1 4.39Å; V1301-F1309 HydrophobicContact CB-CE1 4.22Å; V1301-F1309 HydrophobicContact CG1-CD1 4.19Å; V1301-F1309 HydrophobicContact CG1-CE1 4.32Å; V1301-F1309 HydrophobicContact CG2-CE1 3.97Å; V1301-I1310 HydrophobicContact CB-CD1 4.19Å; V1301-I1310 HydrophobicContact CG1-CD1 4.45Å; V1301-Q1819 PolarHBondContact O-NE2 2.83Å |
| 1302 | P | 84.8 | Confident | 87.5 | Confident | 31.4 Ų | 31.4 | 35.6 Ų | 35.6 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | trans | -71.5 | 108.8 | -178 | 26.4 | -33.4 | 0 | 0 | 0 | 112 | A882 R1304 L1305 F1306 | A882-P1302 HydrophobicContact CB-CG 4.13Å; P1302-R1304 PolarHBondContact O-N 3.32Å; P1302-R1304 VanDerWaalsContact O-N 3.11Å; P1302-L1305 HydrophobicContact CB-CD1 4.49Å; P1302-L1305 HydrophobicContact CG-CB 4.36Å; P1302-L1305 HydrophobicContact CG-CD1 3.98Å; P1302-L1305 HydrophobicContact CG-CG 4.4Å; P1302-L1305 PolarHBondContact O-N 3.16Å; P1302-F1306 HydrophobicContact CG-CD2 4.12Å; P1302-F1306 HydrophobicContact CG-CE2 4.2Å; P1302-F1306 PolarHBondContact O-N 3.17Å | ||
| 1303 | E | 86.5 | Confident | 87.5 | Confident | 49.4 Ų | 49.4 | 35.8 Ų | 35.8 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -33.9 | -178.6 | -175.4 | 172.7 | -165.1 | 0 | 0 | 113.9 | V1301 L1305 F1306 T1307 I1310 R1314 S1822 S1824 | V1301-E1303 PolarHBondContact O-N 3.01Å; V1301-E1303 VanDerWaalsContact O-N 3.13Å; E1303-L1305 VanDerWaalsContact C-N 3.33Å; E1303-L1305 PolarHBondContact O-N 3.27Å; E1303-L1305 VanDerWaalsContact O-N 3.12Å; E1303-F1306 CarbonylContact O-C 3.54Å; E1303-F1306 PolarHBondContact O-N 3.16Å; E1303-T1307 HydrophobicContact CG-CG2 4.4Å; E1303-T1307 VanDerWaalsContact O-CA 3.26Å; E1303-T1307 WeakPolarHBondContact O-CA 3.3Å; E1303-T1307 WeakPolarHBondContact O-CB 3.42Å; E1303-T1307 PolarHBondContact O-N 3.21Å; E1303-T1307 VanDerWaalsContact O-N 3.1Å; E1303-T1307 PolarHBondContact O-OG1 3.2Å; E1303-I1310 HydrophobicContact CB-CB 4.47Å; E1303-I1310 HydrophobicContact CB-CG1 4.22Å; E1303-I1310 HydrophobicContact CB-CG2 4.46Å; E1303-I1310 HydrophobicContact CG-CB 4.19Å; E1303-I1310 HydrophobicContact CG-CG1 4.29Å; E1303-I1310 HydrophobicContact CG-CG2 4.12Å; E1303-I1310 WeakPolarHBondContact OE1-CG2 3.22Å; E1303-R1314 VanDerWaalsContact CD-NH1 3.3Å; E1303-R1314 VanDerWaalsContact CD-NH2 3.32Å; E1303-R1314 IonicContact OE1-CZ 3.07Å; E1303-R1314 VanDerWaalsContact OE1-CZ 3.25Å; E1303-R1314 IonicContact OE1-NH1 3.27Å; E1303-R1314 PolarHBondContact OE1-NH1 3.15Å; E1303-R1314 IonicContact OE1-NH2 3.31Å; E1303-R1314 PolarHBondContact OE1-NH2 3.07Å; E1303-R1314 IonicContact OE2-CZ 3.22Å; E1303-R1314 IonicContact OE2-NH1 3.48Å; E1303-R1314 PolarHBondContact OE2-NH1 3.13Å; E1303-R1314 IonicContact OE2-NH2 3.08Å; E1303-R1314 PolarHBondContact OE2-NH2 3.25Å; E1303-S1822 PolarHBondContact OE1-OG 2.87Å; E1303-S1822 VanDerWaalsContact OE2-CB 3.28Å; E1303-S1822 WeakPolarHBondContact OE2-CB 3.39Å; E1303-S1822 PolarHBondContact OE2-OG 3.14Å; E1303-S1824 VanDerWaalsContact OE1-CB 3.28Å; E1303-S1824 WeakPolarHBondContact OE1-CB 3.18Å; E1303-S1824 PolarHBondContact OE1-OG 2.92Å |
| 1304 | R | 83.4 | Confident | 87.7 | Confident | 168.2 Ų | 168.2 | 36.6 Ų | 36.6 | 64% | 0.635 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17 | 177.1 | -71.8 | -178.3 | -174.3 | 174.6 | 1.5 | 114.9 | T991 P1302 | T991-R1304 VanDerWaalsContact CA-NH1 3.33Å; T991-R1304 PolarHBondContact O-NH1 3.24Å; T991-R1304 VanDerWaalsContact O-NH1 3.16Å; T991-R1304 PolarHBondContact O-NH2 3.46Å; P1302-R1304 PolarHBondContact O-N 3.32Å; P1302-R1304 VanDerWaalsContact O-N 3.11Å |
| 1305 | L | 83.9 | Confident | 87.8 | Confident | 45.6 Ų | 45.6 | 38.2 Ų | 38.2 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -22.8 | 178.6 | -64.8 | 179.2 | 0 | 0 | 0 | 112.8 | A882 I994 L996 P1302 E1303 | A882-L1305 HydrophobicContact CB-CD1 3.77Å; I994-L1305 HydrophobicContact CG2-CD1 4.06Å; I994-L1305 HydrophobicContact CG2-CD2 4.33Å; I994-L1305 HydrophobicContact CG2-CG 4.25Å; L996-L1305 HydrophobicContact CB-CD1 4.24Å; L996-L1305 HydrophobicContact CB-CD2 4.14Å; L996-L1305 HydrophobicContact CD1-CD1 4.43Å; P1302-L1305 HydrophobicContact CB-CD1 4.49Å; P1302-L1305 HydrophobicContact CG-CB 4.36Å; P1302-L1305 HydrophobicContact CG-CD1 3.98Å; P1302-L1305 HydrophobicContact CG-CG 4.4Å; P1302-L1305 PolarHBondContact O-N 3.16Å; E1303-L1305 VanDerWaalsContact C-N 3.33Å; E1303-L1305 PolarHBondContact O-N 3.27Å; E1303-L1305 VanDerWaalsContact O-N 3.12Å |
| 1306 | F | 88.1 | Confident | 87.9 | Confident | 9.4 Ų | 9.4 | 38.3 Ų | 38.3 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -137.2 | 47.4 | -170.9 | -57.4 | -77.4 | 0 | 0 | 0 | 111 | I878 A882 L996 P1120 C1122 V1301 P1302 E1303 Y1308 F1309 I1310 | I878-F1306 HydrophobicContact CG2-CE1 3.95Å; I878-F1306 HydrophobicContact CG2-CZ 3.57Å; A882-F1306 HydrophobicContact CB-CE2 4.25Å; L996-F1306 HydrophobicContact CD1-CZ 4.22Å; L996-F1306 HydrophobicContact CD2-CE1 4.32Å; L996-F1306 HydrophobicContact CD2-CZ 3.92Å; P1120-F1306 HydrophobicContact CB-CB 4.39Å; P1120-F1306 HydrophobicContact CB-CD1 3.79Å; P1120-F1306 HydrophobicContact CB-CE1 4.11Å; P1120-F1306 HydrophobicContact CB-CG 4.07Å; P1120-F1306 HydrophobicContact CG-CD1 4.39Å; P1120-F1306 HydrophobicContact CG-CE1 4.32Å; P1120-F1306 HydrophobicContact CG-CZ 4.44Å; P1120-F1306 WeakPolarHBondContact O-CE1 3.32Å; C1122-F1306 HydrophobicContact CB-CD1 4.32Å; C1122-F1306 HydrophobicContact CB-CE1 4.1Å; V1301-F1306 HydrophobicContact CG1-CB 3.7Å; V1301-F1306 HydrophobicContact CG1-CD2 3.41Å; V1301-F1306 VanDerWaalsContact CG1-CD2 3.42Å; V1301-F1306 HydrophobicContact CG1-CE2 4.25Å; V1301-F1306 HydrophobicContact CG1-CG 3.77Å; P1302-F1306 HydrophobicContact CG-CD2 4.12Å; P1302-F1306 HydrophobicContact CG-CE2 4.2Å; P1302-F1306 PolarHBondContact O-N 3.17Å; E1303-F1306 CarbonylContact O-C 3.54Å; E1303-F1306 PolarHBondContact O-N 3.16Å; F1306-Y1308 VanDerWaalsContact C-N 3.31Å; F1306-Y1308 PolarHBondContact O-N 2.94Å; F1306-F1309 HydrophobicContact CB-CB 4.16Å; F1306-F1309 WeakPolarHBondContact O-CB 3.34Å; F1306-F1309 PolarHBondContact O-N 3.05Å; F1306-F1309 VanDerWaalsContact O-N 3.14Å; F1306-I1310 PolarHBondContact O-N 3.18Å; F1306-I1310 VanDerWaalsContact O-N 3.17Å |
| 1307 | T | 89.6 | Confident | 88.4 | Confident | 50.4 Ų | 50.4 | 38.3 Ų | 38.3 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.7 | -47.1 | -169.6 | -40.1 | 0 | 0 | 0 | 0 | 112.6 | E516 E1303 F1309 I1310 E1311 | E516-T1307 HydrophobicContact CB-CG2 3.61Å; E516-T1307 HydrophobicContact CG-CG2 3.91Å; E1303-T1307 HydrophobicContact CG-CG2 4.4Å; E1303-T1307 VanDerWaalsContact O-CA 3.26Å; E1303-T1307 WeakPolarHBondContact O-CA 3.3Å; E1303-T1307 WeakPolarHBondContact O-CB 3.42Å; E1303-T1307 PolarHBondContact O-N 3.21Å; E1303-T1307 VanDerWaalsContact O-N 3.1Å; E1303-T1307 PolarHBondContact O-OG1 3.2Å; T1307-F1309 VanDerWaalsContact C-N 3.29Å; T1307-F1309 PolarHBondContact O-N 2.87Å; T1307-I1310 PolarHBondContact O-N 3.1Å; T1307-I1310 VanDerWaalsContact O-N 3.11Å; T1307-E1311 WeakPolarHBondContact O-CB 3.39Å; T1307-E1311 PolarHBondContact O-N 3.3Å |
| 1308 | Y | 90.9 | Very high | 88.7 | Confident | 78.4 Ų | 78.4 | 38.9 Ų | 38.9 | 31% | 0.307 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.3 | -28.1 | 179.6 | -67.7 | -94.4 | 0 | 0 | 0 | 113.4 | N519 F520 I523 P1124 E1127 F1306 E1311 G1312 | N519-Y1308 HydrophobicContact CB-CE1 4.15Å; N519-Y1308 WeakPolarHBondContact CB-OH 3.37Å; F520-Y1308 HydrophobicContact CB-CD1 3.8Å; F520-Y1308 HydrophobicContact CB-CE1 4.07Å; F520-Y1308 AromaticContact CD2-CD1 3.84Å; F520-Y1308 HydrophobicContact CD2-CD1 3.84Å; F520-Y1308 HydrophobicContact CD2-CG 4.4Å; F520-Y1308 WeakPolarHBondContact CE2-O 3.31Å; F520-Y1308 HydrophobicContact CG-CD1 4.32Å; I523-Y1308 HydrophobicContact CD1-CE1 3.83Å; P1124-Y1308 HydrophobicContact CB-CD1 4.03Å; P1124-Y1308 HydrophobicContact CB-CD2 3.83Å; P1124-Y1308 HydrophobicContact CB-CE1 4.07Å; P1124-Y1308 HydrophobicContact CB-CE2 3.74Å; P1124-Y1308 HydrophobicContact CB-CG 4.06Å; P1124-Y1308 HydrophobicContact CG-CD1 4.48Å; P1124-Y1308 HydrophobicContact CG-CD2 3.7Å; P1124-Y1308 HydrophobicContact CG-CE1 4.26Å; P1124-Y1308 HydrophobicContact CG-CE2 3.47Å; P1124-Y1308 HydrophobicContact CG-CG 4.41Å; E1127-Y1308 VanDerWaalsContact CG-CB 3.5Å; F1306-Y1308 VanDerWaalsContact C-N 3.31Å; F1306-Y1308 PolarHBondContact O-N 2.94Å; Y1308-E1311 WeakPolarHBondContact CD1-OE2 3.39Å; Y1308-G1312 PolarHBondContact O-N 3.03Å |
| 1309 | F | 91.7 | Very high | 89.1 | Confident | 0.8 Ų | 0.8 | 35.5 Ų | 35.5 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71 | -44 | 174.7 | 173.1 | -91.2 | 0 | 0 | 0 | 111.3 | R1118 P1120 E1127 I1175 H1176 V1301 F1306 T1307 E1311 G1312 Q1313 | R1118-F1309 HydrophobicContact CG-CE2 4.42Å; P1120-F1309 VanDerWaalsContact CA-CD2 3.46Å; P1120-F1309 HydrophobicContact CB-CD1 4.16Å; P1120-F1309 HydrophobicContact CB-CD2 3.92Å; P1120-F1309 HydrophobicContact CB-CE1 4.2Å; P1120-F1309 HydrophobicContact CB-CE2 3.95Å; P1120-F1309 HydrophobicContact CB-CG 4.03Å; P1120-F1309 HydrophobicContact CB-CZ 4.09Å; E1127-F1309 VanDerWaalsContact CD-CA 3.47Å; E1127-F1309 HydrophobicContact CG-CB 4.37Å; E1127-F1309 WeakPolarHBondContact OE1-CA 3.35Å; E1127-F1309 WeakPolarHBondContact OE1-CB 3.35Å; I1175-F1309 HydrophobicContact CG2-CZ 4.41Å; I1175-F1309 WeakPolarHBondContact O-CE1 3.48Å; I1175-F1309 WeakPolarHBondContact O-CZ 3.32Å; H1176-F1309 HydrophobicContact CB-CZ 4.47Å; H1176-F1309 AromaticContact CD2-CE2 3.88Å; H1176-F1309 AromaticContact CD2-CZ 3.91Å; V1301-F1309 HydrophobicContact CB-CD1 4.39Å; V1301-F1309 HydrophobicContact CB-CE1 4.22Å; V1301-F1309 HydrophobicContact CG1-CD1 4.19Å; V1301-F1309 HydrophobicContact CG1-CE1 4.32Å; V1301-F1309 HydrophobicContact CG2-CE1 3.97Å; F1306-F1309 HydrophobicContact CB-CB 4.16Å; F1306-F1309 WeakPolarHBondContact O-CB 3.34Å; F1306-F1309 PolarHBondContact O-N 3.05Å; F1306-F1309 VanDerWaalsContact O-N 3.14Å; T1307-F1309 VanDerWaalsContact C-N 3.29Å; T1307-F1309 PolarHBondContact O-N 2.87Å; F1309-E1311 VanDerWaalsContact C-N 3.34Å; F1309-G1312 PolarHBondContact O-N 3.19Å; F1309-Q1313 VanDerWaalsContact CE1-NE2 3.31Å; F1309-Q1313 VanDerWaalsContact CZ-NE2 3.29Å; F1309-Q1313 WeakPolarHBondContact O-CG 3.36Å; F1309-Q1313 PolarHBondContact O-N 3.07Å; F1309-Q1313 VanDerWaalsContact O-N 3.08Å |
| 1310 | I | 91 | Very high | 89.4 | Confident | 9.8 Ų | 9.8 | 35.1 Ų | 35.1 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 176 | -63.3 | -57.2 | 0 | 0 | 0 | 111.2 | S1299 V1301 E1303 F1306 T1307 Q1313 R1314 | S1299-I1310 VanDerWaalsContact OG-CD1 3.25Å; S1299-I1310 WeakPolarHBondContact OG-CD1 3.21Å; V1301-I1310 HydrophobicContact CB-CD1 4.19Å; V1301-I1310 HydrophobicContact CG1-CD1 4.45Å; E1303-I1310 HydrophobicContact CB-CB 4.47Å; E1303-I1310 HydrophobicContact CB-CG1 4.22Å; E1303-I1310 HydrophobicContact CB-CG2 4.46Å; E1303-I1310 HydrophobicContact CG-CB 4.19Å; E1303-I1310 HydrophobicContact CG-CG1 4.29Å; E1303-I1310 HydrophobicContact CG-CG2 4.12Å; E1303-I1310 WeakPolarHBondContact OE1-CG2 3.22Å; F1306-I1310 PolarHBondContact O-N 3.18Å; F1306-I1310 VanDerWaalsContact O-N 3.17Å; T1307-I1310 PolarHBondContact O-N 3.1Å; T1307-I1310 VanDerWaalsContact O-N 3.11Å; I1310-Q1313 PolarHBondContact O-N 3.08Å; I1310-R1314 HydrophobicContact CG2-CG 4.41Å; I1310-R1314 VanDerWaalsContact O-CB 3.26Å; I1310-R1314 WeakPolarHBondContact O-CB 3.38Å; I1310-R1314 VanDerWaalsContact O-CG 3.26Å; I1310-R1314 WeakPolarHBondContact O-CG 3.33Å; I1310-R1314 PolarHBondContact O-N 3.08Å |
| 1311 | E | 90 | Very high | 89.9 | Confident | 55.2 Ų | 55.2 | 31.2 Ų | 31.2 | 26% | 0.258 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.5 | -167.3 | 100.9 | -158 | 0 | 0 | 111.8 | V517 F520 T1307 Y1308 F1309 Q1313 R1314 T1315 | V517-E1311 HydrophobicContact CG1-CG 4.36Å; V517-E1311 WeakPolarHBondContact CG1-OE1 3.28Å; V517-E1311 HydrophobicContact CG2-CG 4.47Å; V517-E1311 WeakPolarHBondContact CG2-OE2 3.41Å; F520-E1311 HydrophobicContact CB-CB 4.45Å; F520-E1311 HydrophobicContact CB-CG 4.19Å; F520-E1311 HydrophobicContact CD1-CB 4.42Å; F520-E1311 HydrophobicContact CD1-CG 3.91Å; F520-E1311 HydrophobicContact CD2-CB 4.29Å; F520-E1311 HydrophobicContact CE1-CG 4.49Å; F520-E1311 HydrophobicContact CG-CB 4.14Å; F520-E1311 HydrophobicContact CG-CG 4Å; T1307-E1311 WeakPolarHBondContact O-CB 3.39Å; T1307-E1311 PolarHBondContact O-N 3.3Å; Y1308-E1311 WeakPolarHBondContact CD1-OE2 3.39Å; F1309-E1311 VanDerWaalsContact C-N 3.34Å; E1311-Q1313 PolarHBondContact O-N 3.2Å; E1311-R1314 WeakPolarHBondContact O-CB 3.39Å; E1311-R1314 PolarHBondContact O-N 3.06Å; E1311-R1314 WeakPolarHBondContact OE2-CD 3.47Å; E1311-R1314 IonicContact OE2-CZ 3.27Å; E1311-R1314 IonicContact OE2-NE 3.59Å; E1311-R1314 IonicContact OE2-NH1 2.98Å; E1311-R1314 PolarHBondContact OE2-NH1 3.42Å; E1311-T1315 WeakPolarHBondContact O-CB 3.36Å; E1311-T1315 PolarHBondContact O-N 3.16Å; E1311-T1315 PolarHBondContact O-OG1 3.12Å |
| 1312 | G | 90.8 | Very high | 90.1 | Very high | 5.8 Ų | 5.8 | 33 Ų | 33 | 6% | 0.06 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | F1131 Y1308 F1309 R1314 T1315 Q1316 | F1131-G1312 WeakPolarHBondContact CE2-O 3.4Å; Y1308-G1312 PolarHBondContact O-N 3.03Å; F1309-G1312 PolarHBondContact O-N 3.19Å; G1312-R1314 PolarHBondContact O-N 3.39Å; G1312-T1315 PolarHBondContact O-N 3.11Å; G1312-Q1316 WeakPolarHBondContact O-CG 3.3Å; G1312-Q1316 PolarHBondContact O-N 3.1Å; G1312-Q1316 VanDerWaalsContact O-N 3.08Å |
| 1313 | Q | 91.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 174.2 | -78.7 | -176.2 | -19.9 | 0 | 0 | 112.1 | I1175 H1176 F1179 S1299 F1309 I1310 E1311 T1315 Q1316 E1317 | I1175-Q1313 PolarHBondContact O-NE2 2.9Å; H1176-Q1313 PolarHBondContact CD2-NE2 2.97Å; F1179-Q1313 HydrophobicContact CE2-CB 4.2Å; F1179-Q1313 WeakPolarHBondContact CE2-O 3.37Å; S1299-Q1313 VanDerWaalsContact CB-OE1 3.26Å; S1299-Q1313 PolarHBondContact OG-OE1 3.18Å; F1309-Q1313 VanDerWaalsContact CE1-NE2 3.31Å; F1309-Q1313 VanDerWaalsContact CZ-NE2 3.29Å; F1309-Q1313 WeakPolarHBondContact O-CG 3.36Å; F1309-Q1313 PolarHBondContact O-N 3.07Å; F1309-Q1313 VanDerWaalsContact O-N 3.08Å; I1310-Q1313 PolarHBondContact O-N 3.08Å; E1311-Q1313 PolarHBondContact O-N 3.2Å; Q1313-T1315 VanDerWaalsContact C-N 3.34Å; Q1313-T1315 PolarHBondContact O-N 3.25Å; Q1313-Q1316 PolarHBondContact O-N 3.08Å; Q1313-Q1316 VanDerWaalsContact O-N 3.11Å; Q1313-E1317 WeakPolarHBondContact O-CB 3.19Å; Q1313-E1317 PolarHBondContact O-N 2.98Å |
| 1314 | R | 91.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 14% | 0.143 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -46 | 175.7 | -114 | 179.5 | -135.4 | 141.6 | 3.3 | 111.6 | E1303 I1310 E1311 G1312 Q1316 E1317 D1318 S1824 H1828 | E1303-R1314 VanDerWaalsContact CD-NH1 3.3Å; E1303-R1314 VanDerWaalsContact CD-NH2 3.32Å; E1303-R1314 IonicContact OE1-CZ 3.07Å; E1303-R1314 VanDerWaalsContact OE1-CZ 3.25Å; E1303-R1314 IonicContact OE1-NH1 3.27Å; E1303-R1314 PolarHBondContact OE1-NH1 3.15Å; E1303-R1314 IonicContact OE1-NH2 3.31Å; E1303-R1314 PolarHBondContact OE1-NH2 3.07Å; E1303-R1314 IonicContact OE2-CZ 3.22Å; E1303-R1314 IonicContact OE2-NH1 3.48Å; E1303-R1314 PolarHBondContact OE2-NH1 3.13Å; E1303-R1314 IonicContact OE2-NH2 3.08Å; E1303-R1314 PolarHBondContact OE2-NH2 3.25Å; I1310-R1314 HydrophobicContact CG2-CG 4.41Å; I1310-R1314 VanDerWaalsContact O-CB 3.26Å; I1310-R1314 WeakPolarHBondContact O-CB 3.38Å; I1310-R1314 VanDerWaalsContact O-CG 3.26Å; I1310-R1314 WeakPolarHBondContact O-CG 3.33Å; I1310-R1314 PolarHBondContact O-N 3.08Å; E1311-R1314 WeakPolarHBondContact O-CB 3.39Å; E1311-R1314 PolarHBondContact O-N 3.06Å; E1311-R1314 WeakPolarHBondContact OE2-CD 3.47Å; E1311-R1314 IonicContact OE2-CZ 3.27Å; E1311-R1314 IonicContact OE2-NE 3.59Å; E1311-R1314 IonicContact OE2-NH1 2.98Å; E1311-R1314 PolarHBondContact OE2-NH1 3.42Å; G1312-R1314 PolarHBondContact O-N 3.39Å; R1314-Q1316 VanDerWaalsContact C-N 3.29Å; R1314-Q1316 PolarHBondContact O-N 3.08Å; R1314-E1317 WeakPolarHBondContact O-CA 3.24Å; R1314-E1317 WeakPolarHBondContact O-CB 3.49Å; R1314-E1317 PolarHBondContact O-N 3.33Å; R1314-E1317 VanDerWaalsContact O-N 3.13Å; R1314-D1318 WeakPolarHBondContact O-CB 3.35Å; R1314-D1318 VanDerWaalsContact O-CG 3.24Å; R1314-D1318 PolarHBondContact O-N 3.23Å; R1314-S1824 VanDerWaalsContact NH1-CB 3.34Å; R1314-S1824 PolarHBondContact NH1-OG 3.38Å; R1314-H1828 VanDerWaalsContact C-NE2 3.28Å; R1314-H1828 WeakPolarHBondContact CB-NE2 3.36Å; R1314-H1828 PolarHBondContact O-CE1 3.01Å; R1314-H1828 PolarHBondContact O-NE2 3.29Å |
| 1315 | T | 91.7 | Very high | 91 | Very high | 32.8 Ų | 32.8 | 23.4 Ų | 23.4 | 20% | 0.201 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -36 | 176.3 | -53 | 0 | 0 | 0 | 0 | 112.3 | F1131 T1238 E1311 G1312 Q1313 A1319 | F1131-T1315 HydrophobicContact CZ-CG2 4.11Å; T1238-T1315 HydrophobicContact CG2-CG2 4.07Å; T1238-T1315 WeakPolarHBondContact CG2-O 3.29Å; E1311-T1315 WeakPolarHBondContact O-CB 3.36Å; E1311-T1315 PolarHBondContact O-N 3.16Å; E1311-T1315 PolarHBondContact O-OG1 3.12Å; G1312-T1315 PolarHBondContact O-N 3.11Å; Q1313-T1315 VanDerWaalsContact C-N 3.34Å; Q1313-T1315 PolarHBondContact O-N 3.25Å; T1315-A1319 VanDerWaalsContact O-CB 3.24Å; T1315-A1319 WeakPolarHBondContact O-CB 3.32Å; T1315-A1319 PolarHBondContact O-N 3.13Å; T1315-A1319 VanDerWaalsContact O-N 3.08Å |
| 1316 | Q | 92.5 | Very high | 91.2 | Very high | 5.4 Ų | 5.4 | 29.1 Ų | 29.1 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.1 | -39.4 | 174.3 | -71.5 | 171.7 | 7.3 | 0 | 0 | 112.3 | F1131 E1134 F1179 N1180 T1238 G1312 Q1313 R1314 A1319 L1320 | F1131-Q1316 HydrophobicContact CE2-CG 3.89Å; F1131-Q1316 HydrophobicContact CZ-CG 4.32Å; E1134-Q1316 PolarHBondContact OE2-NE2 3.07Å; F1179-Q1316 HydrophobicContact CB-CB 3.76Å; F1179-Q1316 HydrophobicContact CD2-CB 3.95Å; F1179-Q1316 HydrophobicContact CG-CB 4.09Å; N1180-Q1316 VanDerWaalsContact ND2-CD 3.32Å; N1180-Q1316 PolarHBondContact ND2-NE2 3.06Å; N1180-Q1316 VanDerWaalsContact ND2-NE2 3.12Å; N1180-Q1316 PolarHBondContact ND2-OE1 3.45Å; T1238-Q1316 HydrophobicContact CG2-CB 4.5Å; T1238-Q1316 HydrophobicContact CG2-CG 4.15Å; G1312-Q1316 WeakPolarHBondContact O-CG 3.3Å; G1312-Q1316 PolarHBondContact O-N 3.1Å; G1312-Q1316 VanDerWaalsContact O-N 3.08Å; Q1313-Q1316 PolarHBondContact O-N 3.08Å; Q1313-Q1316 VanDerWaalsContact O-N 3.11Å; R1314-Q1316 VanDerWaalsContact C-N 3.29Å; R1314-Q1316 PolarHBondContact O-N 3.08Å; Q1316-A1319 PolarHBondContact O-N 3.48Å; Q1316-L1320 WeakPolarHBondContact O-CB 3.31Å; Q1316-L1320 PolarHBondContact O-N 3.1Å; Q1316-L1320 VanDerWaalsContact O-N 3.1Å |
| 1317 | E | 93.2 | Very high | 91.1 | Very high | 15.8 Ų | 15.8 | 30.3 Ų | 30.3 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 174.9 | -170 | 173.5 | -161.6 | 0 | 0 | 111.6 | F1179 L1295 G1296 K1298 Q1313 R1314 A1319 L1320 A1321 L1342 H1828 | F1179-E1317 HydrophobicContact CD1-CB 4.3Å; F1179-E1317 HydrophobicContact CE1-CB 3.73Å; F1179-E1317 HydrophobicContact CE1-CG 3.75Å; F1179-E1317 HydrophobicContact CE2-CB 4.13Å; F1179-E1317 HydrophobicContact CZ-CB 3.64Å; F1179-E1317 HydrophobicContact CZ-CG 3.91Å; L1295-E1317 HydrophobicContact CD1-CG 4.16Å; G1296-E1317 VanDerWaalsContact CA-OE1 3.29Å; G1296-E1317 WeakPolarHBondContact CA-OE1 3.32Å; G1296-E1317 PolarHBondContact N-OE1 3.32Å; K1298-E1317 IonicContact NZ-OE1 3.31Å; K1298-E1317 PolarHBondContact NZ-OE1 3.19Å; K1298-E1317 IonicContact NZ-OE2 3.16Å; K1298-E1317 PolarHBondContact NZ-OE2 3.08Å; Q1313-E1317 WeakPolarHBondContact O-CB 3.19Å; Q1313-E1317 PolarHBondContact O-N 2.98Å; R1314-E1317 WeakPolarHBondContact O-CA 3.24Å; R1314-E1317 WeakPolarHBondContact O-CB 3.49Å; R1314-E1317 PolarHBondContact O-N 3.33Å; R1314-E1317 VanDerWaalsContact O-N 3.13Å; E1317-A1319 VanDerWaalsContact C-N 3.33Å; E1317-A1319 PolarHBondContact O-N 3Å; E1317-L1320 PolarHBondContact O-N 3.08Å; E1317-A1321 VanDerWaalsContact O-CB 3.31Å; E1317-A1321 WeakPolarHBondContact O-CB 3.26Å; E1317-A1321 PolarHBondContact O-N 3.27Å; E1317-L1342 HydrophobicContact CG-CD2 4.45Å; E1317-H1828 IonicContact OE2-CE1 3.33Å |
| 1318 | D | 92.1 | Very high | 91 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 19% | 0.193 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.6 | -82.6 | -4.2 | 0 | 0 | 0 | 111.9 | R1314 L1320 A1321 V1322 H1828 L1832 | R1314-D1318 WeakPolarHBondContact O-CB 3.35Å; R1314-D1318 VanDerWaalsContact O-CG 3.24Å; R1314-D1318 PolarHBondContact O-N 3.23Å; D1318-L1320 VanDerWaalsContact C-N 3.3Å; D1318-L1320 PolarHBondContact O-N 2.99Å; D1318-A1321 PolarHBondContact O-N 3.22Å; D1318-A1321 VanDerWaalsContact O-N 3.16Å; D1318-V1322 WeakPolarHBondContact O-CB 3.42Å; D1318-V1322 WeakPolarHBondContact O-CG2 3.36Å; D1318-V1322 PolarHBondContact O-N 3.18Å; D1318-H1828 IonicContact OD1-CD2 2.86Å; D1318-H1828 IonicContact OD1-CE1 3.21Å; D1318-H1828 PolarHBondContact OD1-CE1 3.23Å; D1318-H1828 IonicContact OD1-ND1 3.06Å; D1318-H1828 PolarHBondContact OD1-ND1 3.13Å; D1318-H1828 IonicContact OD1-NE2 3.09Å; D1318-H1828 PolarHBondContact OD1-NE2 2.96Å; D1318-H1828 IonicContact OD2-CD2 3.74Å; D1318-H1828 PolarHBondContact OD2-CD2 3.11Å; D1318-H1828 IonicContact OD2-CE1 2.74Å; D1318-H1828 PolarHBondContact OD2-CE1 2.87Å; D1318-H1828 IonicContact OD2-ND1 3.54Å; D1318-H1828 IonicContact OD2-NE2 3.68Å; D1318-H1828 PolarHBondContact OD2-NE2 2.71Å; D1318-L1832 HydrophobicContact CB-CD1 4.34Å; D1318-L1832 WeakPolarHBondContact OD1-CD2 3.39Å; D1318-L1832 WeakPolarHBondContact OD2-CA 3.35Å; D1318-L1832 WeakPolarHBondContact OD2-CB 3.28Å |
| 1319 | A | 92 | Very high | 90.8 | Very high | 2.6 Ų | 2.6 | 30.8 Ų | 30.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1236 S1237 T1238 T1315 Q1316 E1317 Y1323 | L1236-A1319 HydrophobicContact CB-CB 4.29Å; S1237-A1319 WeakPolarHBondContact OG-CA 3.41Å; S1237-A1319 VanDerWaalsContact OG-CB 3.26Å; S1237-A1319 WeakPolarHBondContact OG-CB 3.36Å; T1238-A1319 HydrophobicContact CG2-CB 3.72Å; T1315-A1319 VanDerWaalsContact O-CB 3.24Å; T1315-A1319 WeakPolarHBondContact O-CB 3.32Å; T1315-A1319 PolarHBondContact O-N 3.13Å; T1315-A1319 VanDerWaalsContact O-N 3.08Å; Q1316-A1319 PolarHBondContact O-N 3.48Å; E1317-A1319 VanDerWaalsContact C-N 3.33Å; E1317-A1319 PolarHBondContact O-N 3Å; A1319-Y1323 VanDerWaalsContact O-CB 3.32Å; A1319-Y1323 WeakPolarHBondContact O-CB 3.37Å; A1319-Y1323 PolarHBondContact O-N 3.24Å; A1319-Y1323 VanDerWaalsContact O-N 3.08Å |
| 1320 | L | 93.1 | Very high | 90.5 | Very high | 0.4 Ų | 0.4 | 36.1 Ų | 36.1 | 0% | 0.002 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.4 | -43.2 | 175.6 | -178 | 55.5 | 0 | 0 | 0 | 111.7 | F1179 T1183 I1291 Q1316 E1317 D1318 V1322 Y1323 L1324 | F1179-L1320 HydrophobicContact CD1-CD2 4.23Å; T1183-L1320 HydrophobicContact CG2-CD1 4.39Å; T1183-L1320 WeakPolarHBondContact OG1-CD1 3.44Å; I1291-L1320 HydrophobicContact CD1-CD1 3.71Å; I1291-L1320 HydrophobicContact CD1-CD2 4.33Å; I1291-L1320 HydrophobicContact CD1-CG 4.34Å; I1291-L1320 HydrophobicContact CG1-CD1 4.49Å; I1291-L1320 HydrophobicContact CG1-CD2 4.36Å; I1291-L1320 HydrophobicContact CG2-CD2 4.04Å; I1291-L1320 HydrophobicContact CG2-CG 4.19Å; Q1316-L1320 WeakPolarHBondContact O-CB 3.31Å; Q1316-L1320 PolarHBondContact O-N 3.1Å; Q1316-L1320 VanDerWaalsContact O-N 3.1Å; E1317-L1320 PolarHBondContact O-N 3.08Å; D1318-L1320 VanDerWaalsContact C-N 3.3Å; D1318-L1320 PolarHBondContact O-N 2.99Å; L1320-V1322 PolarHBondContact O-N 2.97Å; L1320-Y1323 HydrophobicContact CD1-CD1 4.3Å; L1320-Y1323 PolarHBondContact O-N 3.25Å; L1320-L1324 HydrophobicContact CD1-CD1 4.11Å; L1320-L1324 HydrophobicContact CD1-CD2 4.48Å; L1320-L1324 HydrophobicContact CD1-CG 4.27Å; L1320-L1324 HydrophobicContact CG-CD1 4.06Å; L1320-L1324 HydrophobicContact CG-CG 4.47Å; L1320-L1324 WeakPolarHBondContact O-CB 3.36Å; L1320-L1324 WeakPolarHBondContact O-CD1 3.38Å; L1320-L1324 VanDerWaalsContact O-CG 3.25Å; L1320-L1324 WeakPolarHBondContact O-CG 3.36Å; L1320-L1324 PolarHBondContact O-N 3.27Å |
| 1321 | A | 92.9 | Very high | 90.3 | Very high | 2.4 Ų | 2.4 | 37.8 Ų | 37.8 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1295 E1317 D1318 Y1323 L1324 F1325 L1342 L1832 | L1295-A1321 HydrophobicContact CD1-CB 4.42Å; E1317-A1321 VanDerWaalsContact O-CB 3.31Å; E1317-A1321 WeakPolarHBondContact O-CB 3.26Å; E1317-A1321 PolarHBondContact O-N 3.27Å; D1318-A1321 PolarHBondContact O-N 3.22Å; D1318-A1321 VanDerWaalsContact O-N 3.16Å; A1321-Y1323 VanDerWaalsContact C-N 3.33Å; A1321-Y1323 PolarHBondContact O-N 3.11Å; A1321-L1324 WeakPolarHBondContact O-CB 3.36Å; A1321-L1324 PolarHBondContact O-N 3.15Å; A1321-F1325 HydrophobicContact CB-CD2 4.43Å; A1321-F1325 HydrophobicContact CB-CE2 4.24Å; A1321-F1325 WeakPolarHBondContact O-CB 3.39Å; A1321-F1325 WeakPolarHBondContact O-CD2 3.37Å; A1321-F1325 VanDerWaalsContact O-CG 3.29Å; A1321-F1325 WeakPolarHBondContact O-CG 3.23Å; A1321-F1325 PolarHBondContact O-N 3.18Å; A1321-L1342 HydrophobicContact CB-CD1 4Å; A1321-L1342 HydrophobicContact CB-CD2 4.16Å; A1321-L1832 HydrophobicContact CB-CD1 4.13Å |
| 1322 | V | 91.4 | Very high | 90.2 | Very high | 43.2 Ų | 43.2 | 38 Ų | 38 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.7 | -40 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | D1318 L1320 F1325 R1326 L1832 I1836 | D1318-V1322 WeakPolarHBondContact O-CB 3.42Å; D1318-V1322 WeakPolarHBondContact O-CG2 3.36Å; D1318-V1322 PolarHBondContact O-N 3.18Å; L1320-V1322 PolarHBondContact O-N 2.97Å; V1322-F1325 PolarHBondContact O-N 3.07Å; V1322-R1326 VanDerWaalsContact O-CB 3.3Å; V1322-R1326 WeakPolarHBondContact O-CB 3.2Å; V1322-R1326 VanDerWaalsContact O-CG 3.31Å; V1322-R1326 WeakPolarHBondContact O-CG 3.39Å; V1322-R1326 PolarHBondContact O-N 2.97Å; V1322-L1832 HydrophobicContact CG2-CD1 3.96Å; V1322-I1836 HydrophobicContact CG2-CG1 4.45Å |
| 1323 | Y | 91.5 | Very high | 90 | Very high | 12.2 Ų | 12.2 | 41.1 Ų | 41.1 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.6 | 172.1 | -121 | 0 | 0 | 0 | 112.2 | F1186 H1187 P1234 L1236 L1242 A1319 L1320 A1321 F1325 R1326 M1327 | F1186-Y1323 AromaticContact CD1-CE1 3.78Å; F1186-Y1323 HydrophobicContact CD1-CE1 3.78Å; F1186-Y1323 AromaticContact CE1-CE1 3.8Å; F1186-Y1323 HydrophobicContact CE1-CE1 3.8Å; H1187-Y1323 PolarHBondContact ND1-OH 3.23Å; P1234-Y1323 HydrophobicContact CB-CD2 4.16Å; P1234-Y1323 HydrophobicContact CB-CE2 3.76Å; P1234-Y1323 HydrophobicContact CG-CE2 3.93Å; L1236-Y1323 HydrophobicContact CD2-CD1 4.38Å; L1236-Y1323 HydrophobicContact CD2-CD2 4.09Å; L1236-Y1323 HydrophobicContact CD2-CG 3.79Å; L1242-Y1323 HydrophobicContact CD1-CD1 4.26Å; L1242-Y1323 HydrophobicContact CD1-CD2 4.39Å; L1242-Y1323 HydrophobicContact CD1-CE1 3.79Å; L1242-Y1323 HydrophobicContact CD1-CE2 3.9Å; A1319-Y1323 VanDerWaalsContact O-CB 3.32Å; A1319-Y1323 WeakPolarHBondContact O-CB 3.37Å; A1319-Y1323 PolarHBondContact O-N 3.24Å; A1319-Y1323 VanDerWaalsContact O-N 3.08Å; L1320-Y1323 HydrophobicContact CD1-CD1 4.3Å; L1320-Y1323 PolarHBondContact O-N 3.25Å; A1321-Y1323 VanDerWaalsContact C-N 3.33Å; A1321-Y1323 PolarHBondContact O-N 3.11Å; Y1323-F1325 PolarHBondContact O-N 3.11Å; Y1323-R1326 WeakPolarHBondContact O-CB 3.27Å; Y1323-R1326 PolarHBondContact O-N 3.12Å; Y1323-M1327 HydrophobicContact CD1-SD 4.38Å; Y1323-M1327 HydrophobicContact CD2-CG 4.16Å; Y1323-M1327 HydrophobicContact CD2-SD 4.15Å; Y1323-M1327 HydrophobicContact CE1-CG 4.48Å; Y1323-M1327 HydrophobicContact CE1-SD 3.96Å; Y1323-M1327 HydrophobicContact CE2-CG 3.92Å; Y1323-M1327 HydrophobicContact CE2-SD 3.54Å; Y1323-M1327 WeakPolarHBondContact CE2-SD 3.37Å; Y1323-M1327 HydrophobicContact CG-CG 4.48Å; Y1323-M1327 VanDerWaalsContact O-CG 3.28Å; Y1323-M1327 WeakPolarHBondContact O-CG 3.18Å; Y1323-M1327 PolarHBondContact O-N 3.18Å; Y1323-M1327 PolarHBondContact OH-SD 3.18Å; Y1323-M1327 VanDerWaalsContact OH-SD 3.36Å |
| 1324 | L | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.6 | -73.6 | 166.8 | 0 | 0 | 0 | 112.7 | F1186 I1291 L1295 L1320 A1321 R1326 M1327 Y1328 I1338 | F1186-L1324 HydrophobicContact CD2-CD2 4.41Å; F1186-L1324 HydrophobicContact CE1-CD2 4.18Å; F1186-L1324 HydrophobicContact CE2-CD2 3.82Å; F1186-L1324 HydrophobicContact CZ-CD2 3.73Å; F1186-L1324 VanDerWaalsContact CZ-CD2 3.47Å; I1291-L1324 HydrophobicContact CB-CD1 4.41Å; I1291-L1324 HydrophobicContact CD1-CD1 4.14Å; I1291-L1324 HydrophobicContact CD1-CD2 3.83Å; I1291-L1324 HydrophobicContact CD1-CG 4.29Å; I1291-L1324 HydrophobicContact CG1-CD2 4.42Å; I1291-L1324 HydrophobicContact CG2-CD1 3.5Å; I1291-L1324 VanDerWaalsContact CG2-CD1 3.46Å; I1291-L1324 HydrophobicContact CG2-CD2 4.1Å; I1291-L1324 HydrophobicContact CG2-CG 4.36Å; L1295-L1324 HydrophobicContact CD1-CD1 4.41Å; L1295-L1324 HydrophobicContact CD2-CD1 4.21Å; L1320-L1324 HydrophobicContact CD1-CD1 4.11Å; L1320-L1324 HydrophobicContact CD1-CD2 4.48Å; L1320-L1324 HydrophobicContact CD1-CG 4.27Å; L1320-L1324 HydrophobicContact CG-CD1 4.06Å; L1320-L1324 HydrophobicContact CG-CG 4.47Å; L1320-L1324 WeakPolarHBondContact O-CB 3.36Å; L1320-L1324 WeakPolarHBondContact O-CD1 3.38Å; L1320-L1324 VanDerWaalsContact O-CG 3.25Å; L1320-L1324 WeakPolarHBondContact O-CG 3.36Å; L1320-L1324 PolarHBondContact O-N 3.27Å; A1321-L1324 WeakPolarHBondContact O-CB 3.36Å; A1321-L1324 PolarHBondContact O-N 3.15Å; L1324-R1326 VanDerWaalsContact C-N 3.31Å; L1324-R1326 PolarHBondContact O-N 2.97Å; L1324-M1327 PolarHBondContact O-N 3.25Å; L1324-Y1328 HydrophobicContact CD2-CD2 4.21Å; L1324-Y1328 HydrophobicContact CD2-CE2 4.08Å; L1324-Y1328 PolarHBondContact O-N 3.14Å; L1324-I1338 HydrophobicContact CB-CD1 4.14Å; L1324-I1338 HydrophobicContact CB-CG2 4.48Å; L1324-I1338 HydrophobicContact CD1-CD1 4.31Å; L1324-I1338 HydrophobicContact CD1-CG1 4.38Å; L1324-I1338 HydrophobicContact CD1-CG2 4.26Å; L1324-I1338 HydrophobicContact CD2-CD1 4.36Å |
| 1325 | F | 90.7 | Very high | 89.8 | Confident | 35.4 Ų | 35.4 | 41.9 Ų | 41.9 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -35.9 | 176.5 | -71.4 | -46.3 | 0 | 0 | 0 | 112.1 | A1321 V1322 Y1323 R1329 L1335 I1338 L1342 I1836 L1864 I1867 | A1321-F1325 HydrophobicContact CB-CD2 4.43Å; A1321-F1325 HydrophobicContact CB-CE2 4.24Å; A1321-F1325 WeakPolarHBondContact O-CB 3.39Å; A1321-F1325 WeakPolarHBondContact O-CD2 3.37Å; A1321-F1325 VanDerWaalsContact O-CG 3.29Å; A1321-F1325 WeakPolarHBondContact O-CG 3.23Å; A1321-F1325 PolarHBondContact O-N 3.18Å; V1322-F1325 PolarHBondContact O-N 3.07Å; Y1323-F1325 PolarHBondContact O-N 3.11Å; F1325-R1329 WeakPolarHBondContact O-CA 3.39Å; F1325-R1329 WeakPolarHBondContact O-CB 3.3Å; F1325-R1329 PolarHBondContact O-N 3.28Å; F1325-R1329 VanDerWaalsContact O-N 3.11Å; F1325-L1335 HydrophobicContact CD1-CD2 3.7Å; F1325-L1335 HydrophobicContact CE1-CD2 4.34Å; F1325-I1338 HydrophobicContact CD1-CG2 4.3Å; F1325-I1338 HydrophobicContact CE1-CB 4.37Å; F1325-I1338 HydrophobicContact CE1-CG2 3.77Å; F1325-I1338 HydrophobicContact CZ-CG2 4.1Å; F1325-L1342 HydrophobicContact CE1-CD1 4.19Å; F1325-L1342 HydrophobicContact CE2-CD1 3.71Å; F1325-L1342 HydrophobicContact CZ-CD1 3.43Å; F1325-L1342 VanDerWaalsContact CZ-CD1 3.46Å; F1325-I1836 HydrophobicContact CD2-CD1 3.64Å; F1325-I1836 HydrophobicContact CD2-CG1 3.82Å; F1325-I1836 HydrophobicContact CE2-CD1 3.43Å; F1325-I1836 VanDerWaalsContact CE2-CD1 3.43Å; F1325-I1836 HydrophobicContact CE2-CG1 4.15Å; F1325-I1836 HydrophobicContact CZ-CD1 4.34Å; F1325-L1864 HydrophobicContact CB-CD2 3.96Å; F1325-L1864 HydrophobicContact CD1-CD2 4.44Å; F1325-I1867 HydrophobicContact CD1-CD1 4.03Å; F1325-I1867 HydrophobicContact CD1-CG2 4.4Å; F1325-I1867 HydrophobicContact CE1-CD1 3.88Å; F1325-I1867 HydrophobicContact CE1-CG2 3.76Å; F1325-I1867 HydrophobicContact CE2-CG2 4.21Å; F1325-I1867 HydrophobicContact CZ-CG2 3.64Å |
| 1326 | R | 87.3 | Confident | 89.6 | Confident | 166.6 Ų | 166.6 | 40.9 Ų | 40.9 | 63% | 0.629 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -70.9 | -35 | 174.9 | -133.4 | 174.2 | 145.8 | 134.3 | 0.5 | 112.7 | V1322 Y1323 L1324 C1839 | V1322-R1326 VanDerWaalsContact O-CB 3.3Å; V1322-R1326 WeakPolarHBondContact O-CB 3.2Å; V1322-R1326 VanDerWaalsContact O-CG 3.31Å; V1322-R1326 WeakPolarHBondContact O-CG 3.39Å; V1322-R1326 PolarHBondContact O-N 2.97Å; Y1323-R1326 WeakPolarHBondContact O-CB 3.27Å; Y1323-R1326 PolarHBondContact O-N 3.12Å; L1324-R1326 VanDerWaalsContact C-N 3.31Å; L1324-R1326 PolarHBondContact O-N 2.97Å; R1326-C1839 HydrophobicContact CG-CB 4.18Å; R1326-C1839 PolarHBondContact NH1-SG 3.09Å; R1326-C1839 VanDerWaalsContact NH1-SG 3.36Å |
| 1327 | M | 86.4 | Confident | 89.4 | Confident | 34.2 Ų | 34.2 | 43.6 Ų | 43.6 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.5 | -38.4 | 179.4 | -75.3 | -139.2 | 66.3 | 0 | 0 | 113.9 | F1186 V1190 G1191 V1192 Y1323 L1324 | F1186-M1327 HydrophobicContact CE1-CE 3.68Å; F1186-M1327 HydrophobicContact CE1-SD 3.79Å; F1186-M1327 HydrophobicContact CZ-CE 3.89Å; F1186-M1327 HydrophobicContact CZ-SD 4.38Å; V1190-M1327 HydrophobicContact CG1-CE 3.98Å; G1191-M1327 VanDerWaalsContact O-CE 3.28Å; G1191-M1327 WeakPolarHBondContact O-CE 3.44Å; V1192-M1327 HydrophobicContact CB-SD 4.38Å; V1192-M1327 HydrophobicContact CG1-CE 3.83Å; V1192-M1327 HydrophobicContact CG1-SD 3.88Å; Y1323-M1327 HydrophobicContact CD1-SD 4.38Å; Y1323-M1327 HydrophobicContact CD2-CG 4.16Å; Y1323-M1327 HydrophobicContact CD2-SD 4.15Å; Y1323-M1327 HydrophobicContact CE1-CG 4.48Å; Y1323-M1327 HydrophobicContact CE1-SD 3.96Å; Y1323-M1327 HydrophobicContact CE2-CG 3.92Å; Y1323-M1327 HydrophobicContact CE2-SD 3.54Å; Y1323-M1327 WeakPolarHBondContact CE2-SD 3.37Å; Y1323-M1327 HydrophobicContact CG-CG 4.48Å; Y1323-M1327 VanDerWaalsContact O-CG 3.28Å; Y1323-M1327 WeakPolarHBondContact O-CG 3.18Å; Y1323-M1327 PolarHBondContact O-N 3.18Å; Y1323-M1327 PolarHBondContact OH-SD 3.18Å; Y1323-M1327 VanDerWaalsContact OH-SD 3.36Å; L1324-M1327 PolarHBondContact O-N 3.25Å |
| 1328 | Y | 88.2 | Confident | 89.2 | Confident | 21.8 Ų | 21.8 | 42.9 Ų | 42.9 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -104.1 | 17.5 | -177.9 | -65.3 | -56.5 | 0 | 0 | 0 | 113.8 | F1186 L1288 L1324 D1330 D1331 K1334 L1335 I1338 | F1186-Y1328 AromaticContact CE2-CE2 3.7Å; F1186-Y1328 HydrophobicContact CE2-CE2 3.7Å; F1186-Y1328 AromaticContact CE2-CZ 3.93Å; F1186-Y1328 VanDerWaalsContact CE2-OH 3.3Å; F1186-Y1328 WeakPolarHBondContact CE2-OH 3.44Å; F1186-Y1328 AromaticContact CZ-CE2 3.57Å; F1186-Y1328 HydrophobicContact CZ-CE2 3.57Å; F1186-Y1328 AromaticContact CZ-CZ 3.83Å; L1288-Y1328 HydrophobicContact CD1-CE2 3.97Å; L1324-Y1328 HydrophobicContact CD2-CD2 4.21Å; L1324-Y1328 HydrophobicContact CD2-CE2 4.08Å; L1324-Y1328 PolarHBondContact O-N 3.14Å; Y1328-D1330 PolarHBondContact O-N 3.23Å; Y1328-D1331 HydrophobicContact CD1-CB 4.43Å; Y1328-D1331 PolarHBondContact O-N 3.19Å; Y1328-K1334 HydrophobicContact CD1-CB 4.26Å; Y1328-K1334 HydrophobicContact CD1-CD 3.48Å; Y1328-K1334 VanDerWaalsContact CD1-CD 3.47Å; Y1328-K1334 HydrophobicContact CD1-CG 4.47Å; Y1328-K1334 HydrophobicContact CD2-CB 4.38Å; Y1328-K1334 HydrophobicContact CD2-CD 4.37Å; Y1328-K1334 HydrophobicContact CE1-CD 3.3Å; Y1328-K1334 HydrophobicContact CE2-CD 4.28Å; Y1328-K1334 HydrophobicContact CG-CB 4.06Å; Y1328-K1334 HydrophobicContact CG-CD 4.07Å; Y1328-L1335 VanDerWaalsContact O-CD1 3.24Å; Y1328-L1335 WeakPolarHBondContact O-CD1 3.27Å; Y1328-L1335 WeakPolarHBondContact O-CD2 3.43Å; Y1328-L1335 WeakPolarHBondContact O-CG 3.41Å; Y1328-I1338 HydrophobicContact CD2-CD1 3.69Å; Y1328-I1338 HydrophobicContact CE2-CD1 4.4Å; Y1328-I1338 HydrophobicContact CG-CD1 4.47Å |
| 1329 | R | 86.7 | Confident | 89.1 | Confident | 118 Ų | 118 | 42.6 Ų | 42.6 | 45% | 0.445 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -36.8 | -178.3 | 111.5 | -174.2 | -170.1 | 174 | 5.7 | 113.8 | F1325 L1335 H1861 N1863 L1864 | F1325-R1329 WeakPolarHBondContact O-CA 3.39Å; F1325-R1329 WeakPolarHBondContact O-CB 3.3Å; F1325-R1329 PolarHBondContact O-N 3.28Å; F1325-R1329 VanDerWaalsContact O-N 3.11Å; R1329-L1335 VanDerWaalsContact O-CD1 3.29Å; R1329-L1335 WeakPolarHBondContact O-CD1 3.37Å; R1329-H1861 WeakPolarHBondContact CB-NE2 3.48Å; R1329-H1861 WeakPolarHBondContact CG-NE2 3.4Å; R1329-H1861 PolarHBondContact O-CE1 3.18Å; R1329-H1861 PolarHBondContact O-NE2 3.13Å; R1329-N1863 PolarHBondContact O-ND2 3.25Å; R1329-L1864 HydrophobicContact CB-CD1 4.01Å; R1329-L1864 HydrophobicContact CB-CD2 4.28Å; R1329-L1864 HydrophobicContact CB-CG 4.2Å |
| 1330 | D | 85.3 | Confident | 88.8 | Confident | 111.6 Ų | 111.6 | 43.4 Ų | 43.4 | 60% | 0.597 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -12 | -176 | -53.3 | -58.7 | 0 | 0 | 0 | 113.1 | Y1328 H1861 | Y1328-D1330 PolarHBondContact O-N 3.23Å; D1330-H1861 IonicContact OD1-NE2 3.28Å |
| 1331 | D | 86.8 | Confident | 88.4 | Confident | 45.2 Ų | 45.2 | 47.5 Ų | 47.5 | 24% | 0.242 | 22% | 0.221 | C | C | . | . | trans | -102.2 | 89.1 | 179.8 | -172.2 | -29.9 | 0 | 0 | 0 | 111.6 | Y1328 S1333 K1334 L1335 | Y1328-D1331 HydrophobicContact CD1-CB 4.43Å; Y1328-D1331 PolarHBondContact O-N 3.19Å; D1331-S1333 PolarHBondContact O-N 3.13Å; D1331-S1333 VanDerWaalsContact O-N 3.15Å; D1331-S1333 WeakPolarHBondContact OD1-CA 3.23Å; D1331-S1333 WeakPolarHBondContact OD1-CB 3.44Å; D1331-S1333 PolarHBondContact OD1-N 3.11Å; D1331-S1333 VanDerWaalsContact OD1-N 3.12Å; D1331-S1333 PolarHBondContact OD1-OG 3.18Å; D1331-K1334 HydrophobicContact CB-CB 4.3Å; D1331-K1334 HydrophobicContact CB-CD 4.48Å; D1331-K1334 HydrophobicContact CB-CG 4.46Å; D1331-K1334 PolarHBondContact O-N 3.29Å; D1331-K1334 PolarHBondContact OD1-N 2.98Å; D1331-K1334 VanDerWaalsContact OD1-N 3.08Å; D1331-K1334 VanDerWaalsContact OD2-CD 3.27Å; D1331-K1334 WeakPolarHBondContact OD2-CD 3.38Å; D1331-K1334 VanDerWaalsContact OD2-CE 3.29Å; D1331-K1334 WeakPolarHBondContact OD2-CE 3.28Å; D1331-K1334 WeakPolarHBondContact OD2-CG 3.34Å; D1331-K1334 IonicContact OD2-NZ 3.02Å; D1331-K1334 PolarHBondContact OD2-NZ 3.27Å; D1331-L1335 WeakPolarHBondContact O-CB 3.28Å; D1331-L1335 VanDerWaalsContact O-CG 3.29Å; D1331-L1335 WeakPolarHBondContact O-CG 3.39Å; D1331-L1335 PolarHBondContact O-N 3.35Å | ||
| 1332 | I | 87.7 | Confident | 88.1 | Confident | 59.4 Ų | 59.4 | 48.7 Ų | 48.7 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.1 | -35 | -179.1 | -56.8 | 171.5 | 0 | 0 | 0 | 112.1 | L1335 D1336 L1356 W1357 L1360 | I1332-L1335 PolarHBondContact O-N 3.26Å; I1332-D1336 WeakPolarHBondContact O-CB 3.33Å; I1332-D1336 PolarHBondContact O-N 3Å; I1332-L1356 HydrophobicContact CG2-CB 4.05Å; I1332-L1356 HydrophobicContact CG2-CD2 4.39Å; I1332-L1356 HydrophobicContact CG2-CG 4.27Å; I1332-W1357 HydrophobicContact CG2-CB 3.87Å; I1332-L1360 HydrophobicContact CD1-CD1 3.92Å; I1332-L1360 HydrophobicContact CG1-CD1 3.94Å; I1332-L1360 HydrophobicContact CG2-CD1 4.11Å |
| 1333 | S | 85.8 | Confident | 87.8 | Confident | 71.8 Ų | 71.8 | 48.4 Ų | 48.4 | 50% | 0.502 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.7 | -42 | -177.4 | 38.6 | 0 | 0 | 0 | 0 | 112.1 | D1331 D1336 R1337 | D1331-S1333 PolarHBondContact O-N 3.13Å; D1331-S1333 VanDerWaalsContact O-N 3.15Å; D1331-S1333 WeakPolarHBondContact OD1-CA 3.23Å; D1331-S1333 WeakPolarHBondContact OD1-CB 3.44Å; D1331-S1333 PolarHBondContact OD1-N 3.11Å; D1331-S1333 VanDerWaalsContact OD1-N 3.12Å; D1331-S1333 PolarHBondContact OD1-OG 3.18Å; S1333-D1336 PolarHBondContact O-N 3.4Å; S1333-R1337 WeakPolarHBondContact O-CG 3.4Å; S1333-R1337 PolarHBondContact O-N 3.1Å |
| 1334 | K | 88.9 | Confident | 87 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.5 | -39.1 | 175 | -66.9 | -176.3 | -177.9 | 90.9 | 0 | 111.1 | L1288 Y1328 D1331 D1336 R1337 I1338 | L1288-K1334 HydrophobicContact CD2-CB 4.36Å; L1288-K1334 HydrophobicContact CD2-CD 3.82Å; L1288-K1334 HydrophobicContact CD2-CG 3.77Å; Y1328-K1334 HydrophobicContact CD1-CB 4.26Å; Y1328-K1334 HydrophobicContact CD1-CD 3.48Å; Y1328-K1334 VanDerWaalsContact CD1-CD 3.47Å; Y1328-K1334 HydrophobicContact CD1-CG 4.47Å; Y1328-K1334 HydrophobicContact CD2-CB 4.38Å; Y1328-K1334 HydrophobicContact CD2-CD 4.37Å; Y1328-K1334 HydrophobicContact CE1-CD 3.3Å; Y1328-K1334 HydrophobicContact CE2-CD 4.28Å; Y1328-K1334 HydrophobicContact CG-CB 4.06Å; Y1328-K1334 HydrophobicContact CG-CD 4.07Å; D1331-K1334 HydrophobicContact CB-CB 4.3Å; D1331-K1334 HydrophobicContact CB-CD 4.48Å; D1331-K1334 HydrophobicContact CB-CG 4.46Å; D1331-K1334 PolarHBondContact O-N 3.29Å; D1331-K1334 PolarHBondContact OD1-N 2.98Å; D1331-K1334 VanDerWaalsContact OD1-N 3.08Å; D1331-K1334 VanDerWaalsContact OD2-CD 3.27Å; D1331-K1334 WeakPolarHBondContact OD2-CD 3.38Å; D1331-K1334 VanDerWaalsContact OD2-CE 3.29Å; D1331-K1334 WeakPolarHBondContact OD2-CE 3.28Å; D1331-K1334 WeakPolarHBondContact OD2-CG 3.34Å; D1331-K1334 IonicContact OD2-NZ 3.02Å; D1331-K1334 PolarHBondContact OD2-NZ 3.27Å; K1334-D1336 VanDerWaalsContact C-N 3.32Å; K1334-D1336 PolarHBondContact O-N 3.16Å; K1334-R1337 WeakPolarHBondContact O-CB 3.42Å; K1334-R1337 PolarHBondContact O-N 3.03Å; K1334-I1338 WeakPolarHBondContact O-CD1 3.24Å; K1334-I1338 VanDerWaalsContact O-CG1 3.27Å; K1334-I1338 WeakPolarHBondContact O-CG1 3.4Å; K1334-I1338 PolarHBondContact O-N 3.17Å |
| 1335 | L | 89.9 | Confident | 86.1 | Confident | 7.2 Ų | 7.2 | 55.4 Ų | 55.4 | 4% | 0.038 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 174.7 | -71.7 | 174.6 | 0 | 0 | 0 | 112.8 | F1325 Y1328 R1329 D1331 I1332 R1337 I1338 R1339 L1356 N1863 L1864 I1867 | F1325-L1335 HydrophobicContact CD1-CD2 3.7Å; F1325-L1335 HydrophobicContact CE1-CD2 4.34Å; Y1328-L1335 VanDerWaalsContact O-CD1 3.24Å; Y1328-L1335 WeakPolarHBondContact O-CD1 3.27Å; Y1328-L1335 WeakPolarHBondContact O-CD2 3.43Å; Y1328-L1335 WeakPolarHBondContact O-CG 3.41Å; R1329-L1335 VanDerWaalsContact O-CD1 3.29Å; R1329-L1335 WeakPolarHBondContact O-CD1 3.37Å; D1331-L1335 WeakPolarHBondContact O-CB 3.28Å; D1331-L1335 VanDerWaalsContact O-CG 3.29Å; D1331-L1335 WeakPolarHBondContact O-CG 3.39Å; D1331-L1335 PolarHBondContact O-N 3.35Å; I1332-L1335 PolarHBondContact O-N 3.26Å; L1335-R1337 VanDerWaalsContact C-N 3.33Å; L1335-R1337 PolarHBondContact O-N 3.03Å; L1335-I1338 PolarHBondContact O-N 3.3Å; L1335-R1339 VanDerWaalsContact O-CB 3.24Å; L1335-R1339 WeakPolarHBondContact O-CB 3.46Å; L1335-R1339 PolarHBondContact O-N 3.2Å; L1335-L1356 HydrophobicContact CB-CD2 3.65Å; L1335-L1356 HydrophobicContact CD1-CD2 3.96Å; L1335-L1356 HydrophobicContact CG-CD2 4.44Å; L1335-N1863 HydrophobicContact CD1-CB 3.83Å; L1335-L1864 HydrophobicContact CD2-CD2 4.45Å; L1335-I1867 HydrophobicContact CB-CD1 4.14Å; L1335-I1867 HydrophobicContact CD1-CD1 4.11Å; L1335-I1867 HydrophobicContact CD2-CD1 3.87Å; L1335-I1867 HydrophobicContact CG-CD1 4.28Å |
| 1336 | D | 86.9 | Confident | 85.2 | Confident | 12.2 Ų | 12.2 | 61.1 Ų | 61.1 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -38.1 | 178.2 | -150.8 | 42.6 | 0 | 0 | 0 | 112.1 | I1332 S1333 K1334 I1338 R1339 A1340 P1355 L1356 W1357 | I1332-D1336 WeakPolarHBondContact O-CB 3.33Å; I1332-D1336 PolarHBondContact O-N 3Å; S1333-D1336 PolarHBondContact O-N 3.4Å; K1334-D1336 VanDerWaalsContact C-N 3.32Å; K1334-D1336 PolarHBondContact O-N 3.16Å; D1336-I1338 VanDerWaalsContact C-N 3.32Å; D1336-I1338 PolarHBondContact O-N 3.42Å; D1336-R1339 PolarHBondContact O-N 3.27Å; D1336-R1339 IonicContact OD1-CZ 3.27Å; D1336-R1339 IonicContact OD1-NE 3.5Å; D1336-R1339 PolarHBondContact OD1-NE 3.15Å; D1336-R1339 IonicContact OD1-NH1 3.73Å; D1336-R1339 PolarHBondContact OD1-NH1 3.41Å; D1336-R1339 IonicContact OD1-NH2 3.16Å; D1336-R1339 PolarHBondContact OD1-NH2 3.46Å; D1336-R1339 VanDerWaalsContact OD1-NH2 3.1Å; D1336-A1340 VanDerWaalsContact O-CB 3.23Å; D1336-A1340 WeakPolarHBondContact O-CB 3.39Å; D1336-A1340 PolarHBondContact O-N 3.19Å; D1336-P1355 WeakPolarHBondContact OD1-CA 3.31Å; D1336-P1355 WeakPolarHBondContact OD1-CB 3.45Å; D1336-P1355 WeakPolarHBondContact OD2-CA 3.44Å; D1336-P1355 WeakPolarHBondContact OD2-CB 3.35Å; D1336-L1356 HydrophobicContact CB-CB 4.18Å; D1336-L1356 PolarHBondContact OD1-N 2.94Å; D1336-L1356 WeakPolarHBondContact OD2-CA 3.29Å; D1336-L1356 WeakPolarHBondContact OD2-CB 3.34Å; D1336-L1356 PolarHBondContact OD2-N 3.05Å; D1336-W1357 VanDerWaalsContact OD2-CD1 3.23Å; D1336-W1357 PolarHBondContact OD2-N 2.87Å |
| 1337 | R | 88.9 | Confident | 84.6 | Confident | 62.8 Ų | 62.8 | 56.9 Ų | 56.9 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 172.5 | -69.6 | 169 | 62.2 | -175.9 | -0.6 | 112 | E1285 Q1289 L1292 S1333 K1334 L1335 R1341 | E1285-R1337 IonicContact OE1-CZ 3.14Å; E1285-R1337 IonicContact OE1-NH1 3.54Å; E1285-R1337 PolarHBondContact OE1-NH1 3.21Å; E1285-R1337 VanDerWaalsContact OE1-NH1 3.1Å; E1285-R1337 IonicContact OE1-NH2 3.08Å; E1285-R1337 PolarHBondContact OE1-NH2 3.1Å; E1285-R1337 IonicContact OE2-CZ 3.03Å; E1285-R1337 IonicContact OE2-NH1 3.71Å; E1285-R1337 PolarHBondContact OE2-NH1 2.97Å; E1285-R1337 IonicContact OE2-NH2 3.3Å; E1285-R1337 PolarHBondContact OE2-NH2 2.86Å; Q1289-R1337 VanDerWaalsContact CD-NH2 3.3Å; L1292-R1337 HydrophobicContact CD1-CB 4.11Å; L1292-R1337 VanDerWaalsContact CD1-NH2 3.32Å; L1292-R1337 HydrophobicContact CD2-CB 4.36Å; L1292-R1337 WeakPolarHBondContact CD2-O 3.48Å; S1333-R1337 WeakPolarHBondContact O-CG 3.4Å; S1333-R1337 PolarHBondContact O-N 3.1Å; K1334-R1337 WeakPolarHBondContact O-CB 3.42Å; K1334-R1337 PolarHBondContact O-N 3.03Å; L1335-R1337 VanDerWaalsContact C-N 3.33Å; L1335-R1337 PolarHBondContact O-N 3.03Å; R1337-R1341 PolarHBondContact O-N 3.07Å |
| 1338 | I | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -49.2 | 177.9 | -68.9 | 158.6 | 0 | 0 | 0 | 110.5 | L1288 L1292 L1295 L1324 F1325 Y1328 K1334 L1335 D1336 A1340 R1341 L1342 | L1288-I1338 HydrophobicContact CD1-CD1 4.38Å; L1288-I1338 HydrophobicContact CD1-CG1 4.39Å; L1292-I1338 HydrophobicContact CD2-CB 4.5Å; L1292-I1338 HydrophobicContact CD2-CG1 4.1Å; L1295-I1338 HydrophobicContact CD2-CG2 3.86Å; L1324-I1338 HydrophobicContact CB-CD1 4.14Å; L1324-I1338 HydrophobicContact CB-CG2 4.48Å; L1324-I1338 HydrophobicContact CD1-CD1 4.31Å; L1324-I1338 HydrophobicContact CD1-CG1 4.38Å; L1324-I1338 HydrophobicContact CD1-CG2 4.26Å; L1324-I1338 HydrophobicContact CD2-CD1 4.36Å; F1325-I1338 HydrophobicContact CD1-CG2 4.3Å; F1325-I1338 HydrophobicContact CE1-CB 4.37Å; F1325-I1338 HydrophobicContact CE1-CG2 3.77Å; F1325-I1338 HydrophobicContact CZ-CG2 4.1Å; Y1328-I1338 HydrophobicContact CD2-CD1 3.69Å; Y1328-I1338 HydrophobicContact CE2-CD1 4.4Å; Y1328-I1338 HydrophobicContact CG-CD1 4.47Å; K1334-I1338 WeakPolarHBondContact O-CD1 3.24Å; K1334-I1338 VanDerWaalsContact O-CG1 3.27Å; K1334-I1338 WeakPolarHBondContact O-CG1 3.4Å; K1334-I1338 PolarHBondContact O-N 3.17Å; L1335-I1338 PolarHBondContact O-N 3.3Å; D1336-I1338 VanDerWaalsContact C-N 3.32Å; D1336-I1338 PolarHBondContact O-N 3.42Å; I1338-A1340 VanDerWaalsContact C-N 3.31Å; I1338-A1340 PolarHBondContact O-N 3.14Å; I1338-R1341 WeakPolarHBondContact O-CB 3.22Å; I1338-R1341 PolarHBondContact O-N 3Å; I1338-R1341 VanDerWaalsContact O-N 3.08Å; I1338-L1342 HydrophobicContact CG2-CD1 4.03Å; I1338-L1342 PolarHBondContact O-N 3.13Å; I1338-L1342 VanDerWaalsContact O-N 3.09Å |
| 1339 | R | 88.5 | Confident | 83.6 | Confident | 29.8 Ų | 29.8 | 59.6 Ų | 59.6 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 176.3 | -177.9 | -163.1 | 136.9 | -178.9 | 7.9 | 111.7 | L1335 D1336 R1341 L1342 L1343 S1353 P1354 P1355 C1359 Y1377 Q1870 | L1335-R1339 VanDerWaalsContact O-CB 3.24Å; L1335-R1339 WeakPolarHBondContact O-CB 3.46Å; L1335-R1339 PolarHBondContact O-N 3.2Å; D1336-R1339 PolarHBondContact O-N 3.27Å; D1336-R1339 IonicContact OD1-CZ 3.27Å; D1336-R1339 IonicContact OD1-NE 3.5Å; D1336-R1339 PolarHBondContact OD1-NE 3.15Å; D1336-R1339 IonicContact OD1-NH1 3.73Å; D1336-R1339 PolarHBondContact OD1-NH1 3.41Å; D1336-R1339 IonicContact OD1-NH2 3.16Å; D1336-R1339 PolarHBondContact OD1-NH2 3.46Å; D1336-R1339 VanDerWaalsContact OD1-NH2 3.1Å; R1339-R1341 PolarHBondContact O-N 3.01Å; R1339-L1342 PolarHBondContact O-N 3.17Å; R1339-L1342 VanDerWaalsContact O-N 3.12Å; R1339-L1343 HydrophobicContact CG-CD1 3.78Å; R1339-L1343 HydrophobicContact CG-CG 4.21Å; R1339-L1343 WeakPolarHBondContact O-CG 3.37Å; R1339-L1343 PolarHBondContact O-N 3.08Å; R1339-S1353 PolarHBondContact NH1-OG 2.97Å; R1339-S1353 PolarHBondContact NH2-OG 3.38Å; R1339-P1354 PolarHBondContact NH1-O 3.11Å; R1339-P1354 PolarHBondContact NH2-O 3.21Å; R1339-P1355 VanDerWaalsContact NH1-C 3.32Å; R1339-C1359 PolarHBondContact NH1-SG 3.09Å; R1339-C1359 VanDerWaalsContact NH1-SG 3.38Å; R1339-C1359 PolarHBondContact NH2-SG 3.05Å; R1339-Y1377 PolarHBondContact NH2-OH 3.06Å; R1339-Q1870 VanDerWaalsContact CZ-CD 3.4Å; R1339-Q1870 VanDerWaalsContact NH1-CD 3.29Å; R1339-Q1870 VanDerWaalsContact NH2-CD 3.31Å |
| 1340 | A | 85.5 | Confident | 83.1 | Confident | 19.6 Ų | 19.6 | 59.6 Ų | 59.6 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -21.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1336 I1338 R1345 Y1377 | D1336-A1340 VanDerWaalsContact O-CB 3.23Å; D1336-A1340 WeakPolarHBondContact O-CB 3.39Å; D1336-A1340 PolarHBondContact O-N 3.19Å; I1338-A1340 VanDerWaalsContact C-N 3.31Å; I1338-A1340 PolarHBondContact O-N 3.14Å; A1340-R1345 PolarHBondContact O-NE 3.05Å; A1340-R1345 PolarHBondContact O-NH2 2.98Å; A1340-Y1377 HydrophobicContact CB-CD1 3.37Å; A1340-Y1377 HydrophobicContact CB-CE1 3.86Å; A1340-Y1377 VanDerWaalsContact CB-CE1 3.5Å; A1340-Y1377 HydrophobicContact CB-CG 4.07Å |
| 1341 | R | 85.1 | Confident | 82.8 | Confident | 87.2 Ų | 87.2 | 57 Ų | 57 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -85.8 | -35.5 | 172.4 | -69.4 | -69.1 | 169.6 | 136.9 | -8.7 | 112.9 | L1292 L1295 G1296 R1337 I1338 R1339 L1343 N1378 | L1292-R1341 HydrophobicContact CB-CG 4.41Å; L1292-R1341 HydrophobicContact CD2-CB 4.41Å; L1292-R1341 HydrophobicContact CD2-CG 3.84Å; L1292-R1341 VanDerWaalsContact O-CD 3.32Å; L1292-R1341 WeakPolarHBondContact O-CD 3.44Å; L1292-R1341 PolarHBondContact O-NE 3.13Å; L1292-R1341 PolarHBondContact O-NH1 3.33Å; L1292-R1341 PolarHBondContact O-NH2 3.43Å; L1295-R1341 HydrophobicContact CB-CB 4.32Å; L1295-R1341 HydrophobicContact CD2-CB 4.33Å; L1295-R1341 HydrophobicContact CG-CB 4.42Å; G1296-R1341 VanDerWaalsContact CA-O 3.25Å; G1296-R1341 WeakPolarHBondContact CA-O 3.4Å; R1337-R1341 PolarHBondContact O-N 3.07Å; I1338-R1341 WeakPolarHBondContact O-CB 3.22Å; I1338-R1341 PolarHBondContact O-N 3Å; I1338-R1341 VanDerWaalsContact O-N 3.08Å; R1339-R1341 PolarHBondContact O-N 3.01Å; R1341-L1343 VanDerWaalsContact C-N 3.32Å; R1341-L1343 PolarHBondContact O-N 2.72Å; R1341-N1378 PolarHBondContact NH2-OD1 3.15Å |
| 1342 | L | 86.9 | Confident | 82.4 | Confident | 27.8 Ų | 27.8 | 58.8 Ų | 58.8 | 15% | 0.146 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.2 | -31.7 | 177.3 | -71.7 | 165.1 | 0 | 0 | 0 | 113.4 | L1295 E1317 A1321 F1325 I1338 R1339 D1344 L1832 | L1295-L1342 HydrophobicContact CD1-CD2 3.91Å; L1295-L1342 HydrophobicContact CD1-CG 4.38Å; L1295-L1342 HydrophobicContact CD2-CD1 4.22Å; L1295-L1342 HydrophobicContact CD2-CD2 4.18Å; L1295-L1342 HydrophobicContact CD2-CG 3.86Å; L1295-L1342 HydrophobicContact CG-CD2 3.87Å; L1295-L1342 HydrophobicContact CG-CG 4.05Å; E1317-L1342 HydrophobicContact CG-CD2 4.45Å; A1321-L1342 HydrophobicContact CB-CD1 4Å; A1321-L1342 HydrophobicContact CB-CD2 4.16Å; F1325-L1342 HydrophobicContact CE1-CD1 4.19Å; F1325-L1342 HydrophobicContact CE2-CD1 3.71Å; F1325-L1342 HydrophobicContact CZ-CD1 3.43Å; F1325-L1342 VanDerWaalsContact CZ-CD1 3.46Å; I1338-L1342 HydrophobicContact CG2-CD1 4.03Å; I1338-L1342 PolarHBondContact O-N 3.13Å; I1338-L1342 VanDerWaalsContact O-N 3.09Å; R1339-L1342 PolarHBondContact O-N 3.17Å; R1339-L1342 VanDerWaalsContact O-N 3.12Å; L1342-D1344 VanDerWaalsContact C-N 3.29Å; L1342-D1344 PolarHBondContact O-N 2.87Å; L1342-L1832 HydrophobicContact CD2-CD2 4.34Å |
| 1343 | L | 84.5 | Confident | 82 | Confident | 35.8 Ų | 35.8 | 56.3 Ų | 56.3 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -82.7 | 91.8 | -179.3 | -62.8 | -179.2 | 0 | 0 | 0 | 111.7 | R1339 R1341 R1345 F1351 S1353 Q1870 V1871 Y1874 | R1339-L1343 HydrophobicContact CG-CD1 3.78Å; R1339-L1343 HydrophobicContact CG-CG 4.21Å; R1339-L1343 WeakPolarHBondContact O-CG 3.37Å; R1339-L1343 PolarHBondContact O-N 3.08Å; R1341-L1343 VanDerWaalsContact C-N 3.32Å; R1341-L1343 PolarHBondContact O-N 2.72Å; L1343-R1345 WeakPolarHBondContact O-CG 3.21Å; L1343-R1345 PolarHBondContact O-N 2.98Å; L1343-R1345 VanDerWaalsContact O-N 3.13Å; L1343-F1351 HydrophobicContact CB-CE1 4.46Å; L1343-F1351 HydrophobicContact CD1-CD1 4.44Å; L1343-F1351 HydrophobicContact CD1-CE1 3.55Å; L1343-F1351 HydrophobicContact CD1-CZ 4.06Å; L1343-F1351 HydrophobicContact CG-CE1 4.49Å; L1343-S1353 WeakPolarHBondContact CD1-OG 3.42Å; L1343-Q1870 HydrophobicContact CD1-CB 4.26Å; L1343-V1871 HydrophobicContact CD2-CB 4.45Å; L1343-V1871 HydrophobicContact CD2-CG2 3.99Å; L1343-Y1874 HydrophobicContact CD2-CD1 3.8Å; L1343-Y1874 HydrophobicContact CD2-CD2 4.33Å; L1343-Y1874 HydrophobicContact CD2-CE1 4.46Å; L1343-Y1874 HydrophobicContact CD2-CG 3.73Å |
| 1344 | D | 74.8 | Confident | 81.9 | Confident | 38.8 Ų | 38.8 | 53.1 Ų | 53.1 | 21% | 0.207 | 24% | 0.236 | C | C | . | . | trans | -69.9 | 103.1 | -174.5 | -171 | -4.3 | 0 | 0 | 0 | 113.4 | K1298 L1342 Y1346 Y1347 N1348 Y1874 | K1298-D1344 IonicContact NZ-OD1 3.85Å; K1298-D1344 IonicContact NZ-OD2 3.4Å; K1298-D1344 PolarHBondContact NZ-OD2 3.18Å; L1342-D1344 VanDerWaalsContact C-N 3.29Å; L1342-D1344 PolarHBondContact O-N 2.87Å; D1344-Y1346 PolarHBondContact O-N 3.04Å; D1344-Y1346 VanDerWaalsContact O-N 3.13Å; D1344-Y1346 VanDerWaalsContact OD1-CB 3.27Å; D1344-Y1346 WeakPolarHBondContact OD1-CB 3.32Å; D1344-Y1346 WeakPolarHBondContact OD1-CD2 3.45Å; D1344-Y1346 PolarHBondContact OD1-N 3.12Å; D1344-Y1347 HydrophobicContact CB-CD2 4.25Å; D1344-Y1347 PolarHBondContact O-N 3.03Å; D1344-Y1347 VanDerWaalsContact O-N 3.15Å; D1344-Y1347 WeakPolarHBondContact OD2-CD2 3.36Å; D1344-Y1347 VanDerWaalsContact OD2-CE2 3.31Å; D1344-Y1347 WeakPolarHBondContact OD2-CE2 3.27Å; D1344-N1348 PolarHBondContact O-N 2.95Å; D1344-Y1874 WeakPolarHBondContact O-CE2 3.31Å; D1344-Y1874 PolarHBondContact O-OH 3.42Å | ||
| 1345 | R | 72.4 | Confident | 81.6 | Confident | 120.6 Ų | 120.6 | 50.6 Ų | 50.6 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.5 | 177.1 | -65.1 | -178.3 | 177.1 | -176.2 | -3.1 | 113.8 | A1340 L1343 Y1347 N1348 P1349 T1372 L1375 Y1377 | A1340-R1345 PolarHBondContact O-NE 3.05Å; A1340-R1345 PolarHBondContact O-NH2 2.98Å; L1343-R1345 WeakPolarHBondContact O-CG 3.21Å; L1343-R1345 PolarHBondContact O-N 2.98Å; L1343-R1345 VanDerWaalsContact O-N 3.13Å; R1345-Y1347 PolarHBondContact O-N 2.85Å; R1345-N1348 CarbonylContact O-C 3.53Å; R1345-N1348 VanDerWaalsContact O-C 3.28Å; R1345-N1348 PolarHBondContact O-N 2.91Å; R1345-P1349 WeakPolarHBondContact O-CA 3.38Å; R1345-P1349 VanDerWaalsContact O-CD 3.29Å; R1345-P1349 WeakPolarHBondContact O-CD 3.38Å; R1345-P1349 VanDerWaalsContact O-CG 3.31Å; R1345-P1349 WeakPolarHBondContact O-CG 3.37Å; R1345-P1349 VanDerWaalsContact O-N 3.12Å; R1345-T1372 PolarHBondContact NH2-O 3.39Å; R1345-L1375 PolarHBondContact NH1-O 3.13Å; R1345-L1375 PolarHBondContact NH2-O 3.46Å; R1345-Y1377 VanDerWaalsContact NH2-CE2 3.31Å |
| 1346 | Y | 72.7 | Confident | 81.4 | Confident | 156 Ų | 156 | 50.9 Ų | 50.9 | 61% | 0.612 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -41.1 | 176.4 | -146.7 | -90.8 | 0 | 0 | 0 | 112.1 | D1344 P1818 | D1344-Y1346 PolarHBondContact O-N 3.04Å; D1344-Y1346 VanDerWaalsContact O-N 3.13Å; D1344-Y1346 VanDerWaalsContact OD1-CB 3.27Å; D1344-Y1346 WeakPolarHBondContact OD1-CB 3.32Å; D1344-Y1346 WeakPolarHBondContact OD1-CD2 3.45Å; D1344-Y1346 PolarHBondContact OD1-N 3.12Å; Y1346-P1818 HydrophobicContact CE1-CB 4.21Å; Y1346-P1818 HydrophobicContact CE1-CG 3.81Å; Y1346-P1818 WeakPolarHBondContact OH-CG 3.4Å |
| 1347 | Y | 74.9 | Confident | 81.3 | Confident | 78.8 Ų | 78.8 | 54.9 Ų | 54.9 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -26.2 | 179.7 | -71.1 | -83.1 | 0 | 0 | 0 | 113 | K1298 D1344 R1345 Q1819 L1821 M1825 R1881 | K1298-Y1347 HydrophobicContact CD-CD2 4.16Å; K1298-Y1347 HydrophobicContact CD-CE2 3.39Å; K1298-Y1347 HydrophobicContact CG-CE2 4.03Å; K1298-Y1347 VanDerWaalsContact NZ-CD2 3.33Å; D1344-Y1347 HydrophobicContact CB-CD2 4.25Å; D1344-Y1347 PolarHBondContact O-N 3.03Å; D1344-Y1347 VanDerWaalsContact O-N 3.15Å; D1344-Y1347 WeakPolarHBondContact OD2-CD2 3.36Å; D1344-Y1347 VanDerWaalsContact OD2-CE2 3.31Å; D1344-Y1347 WeakPolarHBondContact OD2-CE2 3.27Å; R1345-Y1347 PolarHBondContact O-N 2.85Å; Y1347-Q1819 WeakPolarHBondContact CE1-O 3.38Å; Y1347-Q1819 PolarHBondContact OH-O 3.37Å; Y1347-L1821 HydrophobicContact CD1-CB 4.32Å; Y1347-L1821 HydrophobicContact CD1-CD1 4.08Å; Y1347-M1825 HydrophobicContact CD1-CE 4.24Å; Y1347-M1825 HydrophobicContact CD1-SD 3.74Å; Y1347-M1825 HydrophobicContact CD2-SD 4.32Å; Y1347-M1825 HydrophobicContact CE1-CE 3.69Å; Y1347-M1825 HydrophobicContact CE1-SD 3.82Å; Y1347-M1825 HydrophobicContact CE2-SD 4.36Å; Y1347-M1825 HydrophobicContact CG-SD 4.05Å; Y1347-R1881 WeakPolarHBondContact O-CD 3.41Å; Y1347-R1881 PolarHBondContact O-NH1 3.13Å |
| 1348 | N | 76.9 | Confident | 81 | Confident | 31.8 Ų | 31.8 | 51.9 Ų | 51.9 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | trans | -142.9 | 84.8 | 173.2 | -165.7 | -11.1 | 0 | 0 | 0 | 112.8 | D1344 R1345 Y1350 F1351 Y1874 L1878 H1920 | D1344-N1348 PolarHBondContact O-N 2.95Å; R1345-N1348 CarbonylContact O-C 3.53Å; R1345-N1348 VanDerWaalsContact O-C 3.28Å; R1345-N1348 PolarHBondContact O-N 2.91Å; N1348-Y1350 PolarHBondContact O-N 2.98Å; N1348-Y1350 VanDerWaalsContact O-N 3.14Å; N1348-Y1350 PolarHBondContact OD1-N 3.13Å; N1348-F1351 HydrophobicContact CB-CB 4.04Å; N1348-F1351 WeakPolarHBondContact O-CB 3.46Å; N1348-F1351 PolarHBondContact O-N 3.15Å; N1348-F1351 VanDerWaalsContact O-N 3.07Å; N1348-F1351 PolarHBondContact OD1-N 3.16Å; N1348-F1351 VanDerWaalsContact OD1-N 3.17Å; N1348-Y1874 HydrophobicContact CB-CD2 3.84Å; N1348-Y1874 HydrophobicContact CB-CE2 3.64Å; N1348-Y1874 PolarHBondContact ND2-O 3.27Å; N1348-L1878 HydrophobicContact CB-CD2 4.01Å; N1348-H1920 PolarHBondContact ND2-CE1 2.83Å; N1348-H1920 PolarHBondContact ND2-NE2 3.27Å | ||
| 1349 | P | 76.5 | Confident | 80.8 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.4 | 179 | -23.6 | 33.7 | 0 | 0 | 0 | 114.6 | R1345 | R1345-P1349 WeakPolarHBondContact O-CA 3.38Å; R1345-P1349 VanDerWaalsContact O-CD 3.29Å; R1345-P1349 WeakPolarHBondContact O-CD 3.38Å; R1345-P1349 VanDerWaalsContact O-CG 3.31Å; R1345-P1349 WeakPolarHBondContact O-CG 3.37Å; R1345-P1349 VanDerWaalsContact O-N 3.12Å |
| 1350 | Y | 75.9 | Confident | 80.6 | Confident | 117.2 Ų | 117.2 | 55.3 Ų | 55.3 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.3 | -179.6 | -57.5 | -78.3 | 0 | 0 | 0 | 112.9 | N1348 K1352 S1635 Q1919 | N1348-Y1350 PolarHBondContact O-N 2.98Å; N1348-Y1350 VanDerWaalsContact O-N 3.14Å; N1348-Y1350 PolarHBondContact OD1-N 3.13Å; Y1350-K1352 PolarHBondContact O-N 2.94Å; Y1350-K1352 VanDerWaalsContact O-N 3.11Å; Y1350-S1635 WeakPolarHBondContact CE1-OG 3.45Å; Y1350-Q1919 HydrophobicContact CD1-CG 3.81Å; Y1350-Q1919 HydrophobicContact CD2-CB 4.2Å; Y1350-Q1919 HydrophobicContact CD2-CG 3.71Å; Y1350-Q1919 HydrophobicContact CE1-CG 4.15Å; Y1350-Q1919 HydrophobicContact CE2-CG 4.04Å; Y1350-Q1919 HydrophobicContact CG-CB 4.13Å; Y1350-Q1919 HydrophobicContact CG-CG 3.58Å |
| 1351 | F | 79.5 | Confident | 80.5 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | trans | -77.8 | 94.1 | 176.2 | -171.8 | -101 | 0 | 0 | 0 | 110.5 | L1343 N1348 S1353 Q1870 L1873 Y1874 H1920 | L1343-F1351 HydrophobicContact CB-CE1 4.46Å; L1343-F1351 HydrophobicContact CD1-CD1 4.44Å; L1343-F1351 HydrophobicContact CD1-CE1 3.55Å; L1343-F1351 HydrophobicContact CD1-CZ 4.06Å; L1343-F1351 HydrophobicContact CG-CE1 4.49Å; N1348-F1351 HydrophobicContact CB-CB 4.04Å; N1348-F1351 WeakPolarHBondContact O-CB 3.46Å; N1348-F1351 PolarHBondContact O-N 3.15Å; N1348-F1351 VanDerWaalsContact O-N 3.07Å; N1348-F1351 PolarHBondContact OD1-N 3.16Å; N1348-F1351 VanDerWaalsContact OD1-N 3.17Å; F1351-S1353 WeakPolarHBondContact CE1-OG 3.41Å; F1351-S1353 WeakPolarHBondContact CZ-OG 3.36Å; F1351-Q1870 WeakPolarHBondContact CE2-O 3.34Å; F1351-Q1870 HydrophobicContact CZ-CB 4.1Å; F1351-Q1870 HydrophobicContact CZ-CG 4.49Å; F1351-Q1870 VanDerWaalsContact CZ-O 3.31Å; F1351-Q1870 WeakPolarHBondContact CZ-O 3.28Å; F1351-L1873 HydrophobicContact CE2-CB 4.05Å; F1351-L1873 HydrophobicContact CE2-CD2 4.11Å; F1351-L1873 HydrophobicContact CE2-CG 4.04Å; F1351-Y1874 HydrophobicContact CB-CD2 4.3Å; F1351-Y1874 HydrophobicContact CD1-CD2 4.41Å; F1351-Y1874 HydrophobicContact CG-CD2 4.18Å; F1351-H1920 AromaticContact CD2-NE2 3.77Å | ||
| 1352 | K | 78 | Confident | 80.5 | Confident | 82.2 Ų | 82.2 | 56.7 Ų | 56.7 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | trans | -97.2 | 61.2 | 176.1 | -69.7 | -177.8 | 178.4 | -177.1 | 0 | 111 | Y1350 T1372 Y1377 L1639 H1915 S1916 | Y1350-K1352 PolarHBondContact O-N 2.94Å; Y1350-K1352 VanDerWaalsContact O-N 3.11Å; K1352-T1372 HydrophobicContact CB-CG2 3.72Å; K1352-T1372 WeakPolarHBondContact CB-OG1 3.05Å; K1352-T1372 WeakPolarHBondContact CD-O 3.44Å; K1352-T1372 WeakPolarHBondContact CD-OG1 3.35Å; K1352-T1372 PolarHBondContact NZ-O 2.99Å; K1352-T1372 WeakPolarHBondContact O-CG2 3.33Å; K1352-T1372 PolarHBondContact O-OG1 2.87Å; K1352-T1372 VanDerWaalsContact O-OG1 3.08Å; K1352-Y1377 HydrophobicContact CB-CE2 4.47Å; K1352-Y1377 HydrophobicContact CD-CE2 4.04Å; K1352-Y1377 HydrophobicContact CG-CE2 4.11Å; K1352-L1639 HydrophobicContact CD-CD1 4.31Å; K1352-H1915 WeakPolarHBondContact CB-O 3.46Å; K1352-S1916 PolarHBondContact N-OG 2.63Å | ||
| 1353 | S | 79.7 | Confident | 80.3 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 142 | 177.9 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | R1339 L1343 F1351 Y1377 S1916 | R1339-S1353 PolarHBondContact NH1-OG 2.97Å; R1339-S1353 PolarHBondContact NH2-OG 3.38Å; L1343-S1353 WeakPolarHBondContact CD1-OG 3.42Å; F1351-S1353 WeakPolarHBondContact CE1-OG 3.41Å; F1351-S1353 WeakPolarHBondContact CZ-OG 3.36Å; S1353-Y1377 PolarHBondContact O-OH 3.1Å; S1353-S1916 WeakPolarHBondContact CA-OG 3.46Å; S1353-S1916 PolarHBondContact N-OG 3.27Å; S1353-S1916 VanDerWaalsContact N-OG 3.1Å |
| 1354 | P | 82.8 | Confident | 80.2 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 151.9 | 168.2 | -24.5 | 34.6 | 0 | 0 | 0 | 111.9 | R1339 A1358 C1359 L1367 F1370 H1915 | R1339-P1354 PolarHBondContact NH1-O 3.11Å; R1339-P1354 PolarHBondContact NH2-O 3.21Å; P1354-A1358 HydrophobicContact CB-CB 4.16Å; P1354-C1359 PolarHBondContact O-SG 3.29Å; P1354-L1367 HydrophobicContact CB-CD1 3.75Å; P1354-L1367 HydrophobicContact CG-CD1 3.79Å; P1354-L1367 HydrophobicContact CG-CD2 4.21Å; P1354-L1367 HydrophobicContact CG-CG 4.32Å; P1354-F1370 HydrophobicContact CB-CB 4.43Å; P1354-F1370 HydrophobicContact CB-CD1 3.75Å; P1354-F1370 HydrophobicContact CB-CE1 4.2Å; P1354-F1370 HydrophobicContact CB-CG 4.05Å; P1354-F1370 HydrophobicContact CG-CB 4.15Å; P1354-F1370 HydrophobicContact CG-CD1 4.02Å; P1354-F1370 HydrophobicContact CG-CG 4.24Å; P1354-H1915 VanDerWaalsContact CG-CD2 3.49Å; P1354-H1915 WeakPolarHBondContact CG-CD2 3.33Å |
| 1355 | P | 83.3 | Confident | 80.5 | Confident | 3.4 Ų | 3.4 | 70.5 Ų | 70.5 | 2% | 0.022 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 155.5 | 175.8 | 27.8 | -34.2 | 0 | 0 | 0 | 111.3 | D1336 R1339 W1357 A1358 C1359 F1370 L1375 | D1336-P1355 WeakPolarHBondContact OD1-CA 3.31Å; D1336-P1355 WeakPolarHBondContact OD1-CB 3.45Å; D1336-P1355 WeakPolarHBondContact OD2-CA 3.44Å; D1336-P1355 WeakPolarHBondContact OD2-CB 3.35Å; R1339-P1355 VanDerWaalsContact NH1-C 3.32Å; P1355-W1357 VanDerWaalsContact C-N 3.3Å; P1355-W1357 HydrophobicContact CB-CG 4.43Å; P1355-W1357 HydrophobicContact CG-CD2 4.32Å; P1355-W1357 HydrophobicContact CG-CG 4.43Å; P1355-W1357 HydrophobicContact CG-CZ2 3.95Å; P1355-W1357 VanDerWaalsContact CG-NE1 3.32Å; P1355-W1357 PolarHBondContact O-N 3.23Å; P1355-W1357 VanDerWaalsContact O-N 3.14Å; P1355-A1358 HydrophobicContact CG-CB 3.76Å; P1355-A1358 WeakPolarHBondContact O-CA 3.24Å; P1355-A1358 VanDerWaalsContact O-CB 3.32Å; P1355-A1358 WeakPolarHBondContact O-CB 3.3Å; P1355-A1358 PolarHBondContact O-N 3.21Å; P1355-A1358 VanDerWaalsContact O-N 3.09Å; P1355-C1359 PolarHBondContact O-N 3.3Å; P1355-C1359 VanDerWaalsContact O-N 3.12Å; P1355-C1359 PolarHBondContact O-SG 3.4Å; P1355-C1359 VanDerWaalsContact O-SG 3.38Å; P1355-F1370 VanDerWaalsContact CD-CE1 3.42Å; P1355-F1370 VanDerWaalsContact CD-CZ 3.47Å; P1355-F1370 HydrophobicContact CG-CE1 4.25Å; P1355-F1370 HydrophobicContact CG-CE2 4.39Å; P1355-F1370 HydrophobicContact CG-CZ 3.83Å; P1355-L1375 HydrophobicContact CG-CD1 4.09Å; P1355-L1375 HydrophobicContact CG-CD2 4.47Å |
| 1356 | L | 84.6 | Confident | 80.9 | Confident | 13.4 Ų | 13.4 | 69.8 Ų | 69.8 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -37.7 | -174.6 | -176.4 | 63.3 | 0 | 0 | 0 | 112.5 | I1332 L1335 D1336 A1358 C1359 L1360 N1863 L1866 I1867 | I1332-L1356 HydrophobicContact CG2-CB 4.05Å; I1332-L1356 HydrophobicContact CG2-CD2 4.39Å; I1332-L1356 HydrophobicContact CG2-CG 4.27Å; L1335-L1356 HydrophobicContact CB-CD2 3.65Å; L1335-L1356 HydrophobicContact CD1-CD2 3.96Å; L1335-L1356 HydrophobicContact CG-CD2 4.44Å; D1336-L1356 HydrophobicContact CB-CB 4.18Å; D1336-L1356 PolarHBondContact OD1-N 2.94Å; D1336-L1356 WeakPolarHBondContact OD2-CA 3.29Å; D1336-L1356 WeakPolarHBondContact OD2-CB 3.34Å; D1336-L1356 PolarHBondContact OD2-N 3.05Å; L1356-A1358 VanDerWaalsContact C-N 3.32Å; L1356-A1358 PolarHBondContact O-N 3.19Å; L1356-C1359 CarbonylContact O-C 3.5Å; L1356-C1359 WeakPolarHBondContact O-CB 3.34Å; L1356-C1359 PolarHBondContact O-N 3.05Å; L1356-C1359 VanDerWaalsContact O-N 3.16Å; L1356-L1360 HydrophobicContact CD1-CD1 4.21Å; L1356-L1360 HydrophobicContact CD1-CG 4.38Å; L1356-L1360 HydrophobicContact CG-CD1 3.95Å; L1356-L1360 HydrophobicContact CG-CG 4.46Å; L1356-L1360 WeakPolarHBondContact O-CB 3.38Å; L1356-L1360 VanDerWaalsContact O-CG 3.31Å; L1356-L1360 WeakPolarHBondContact O-CG 3.34Å; L1356-L1360 PolarHBondContact O-N 2.98Å; L1356-L1360 VanDerWaalsContact O-N 3.11Å; L1356-N1863 HydrophobicContact CD2-CB 4.43Å; L1356-L1866 HydrophobicContact CD1-CB 3.79Å; L1356-L1866 HydrophobicContact CD1-CD1 4.03Å; L1356-I1867 HydrophobicContact CD1-CG1 4.39Å; L1356-I1867 HydrophobicContact CD2-CD1 3.84Å; L1356-I1867 HydrophobicContact CD2-CG1 4Å |
| 1357 | W | 84.6 | Confident | 81.4 | Confident | 96.2 Ų | 96.2 | 63.6 Ų | 63.6 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174.1 | 70.1 | -100.9 | 0 | 0 | 0 | 111.9 | I1332 D1336 P1355 C1359 L1360 S1361 L1362 F1370 L1375 | I1332-W1357 HydrophobicContact CG2-CB 3.87Å; D1336-W1357 VanDerWaalsContact OD2-CD1 3.23Å; D1336-W1357 PolarHBondContact OD2-N 2.87Å; P1355-W1357 VanDerWaalsContact C-N 3.3Å; P1355-W1357 HydrophobicContact CB-CG 4.43Å; P1355-W1357 HydrophobicContact CG-CD2 4.32Å; P1355-W1357 HydrophobicContact CG-CG 4.43Å; P1355-W1357 HydrophobicContact CG-CZ2 3.95Å; P1355-W1357 VanDerWaalsContact CG-NE1 3.32Å; P1355-W1357 PolarHBondContact O-N 3.23Å; P1355-W1357 VanDerWaalsContact O-N 3.14Å; W1357-C1359 VanDerWaalsContact C-N 3.33Å; W1357-C1359 PolarHBondContact O-N 3.23Å; W1357-L1360 CarbonylContact O-C 3.51Å; W1357-L1360 PolarHBondContact O-N 3.32Å; W1357-L1360 VanDerWaalsContact O-N 3.13Å; W1357-S1361 VanDerWaalsContact O-CB 3.28Å; W1357-S1361 WeakPolarHBondContact O-CB 3.34Å; W1357-S1361 PolarHBondContact O-N 3.27Å; W1357-S1361 PolarHBondContact O-OG 3.18Å; W1357-L1362 HydrophobicContact CZ3-CD2 4.45Å; W1357-L1362 HydrophobicContact CZ3-CG 4.45Å; W1357-F1370 AromaticContact CH2-CE2 3.91Å; W1357-F1370 HydrophobicContact CH2-CE2 4.14Å; W1357-F1370 HydrophobicContact CH2-CZ 4.42Å; W1357-F1370 HydrophobicContact CZ2-CE2 4.27Å; W1357-F1370 HydrophobicContact CZ2-CZ 4.31Å; W1357-L1375 HydrophobicContact CZ2-CD1 4.4Å |
| 1358 | A | 84.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1354 P1355 L1356 L1360 S1361 L1362 L1367 F1370 | P1354-A1358 HydrophobicContact CB-CB 4.16Å; P1355-A1358 HydrophobicContact CG-CB 3.76Å; P1355-A1358 WeakPolarHBondContact O-CA 3.24Å; P1355-A1358 VanDerWaalsContact O-CB 3.32Å; P1355-A1358 WeakPolarHBondContact O-CB 3.3Å; P1355-A1358 PolarHBondContact O-N 3.21Å; P1355-A1358 VanDerWaalsContact O-N 3.09Å; L1356-A1358 VanDerWaalsContact C-N 3.32Å; L1356-A1358 PolarHBondContact O-N 3.19Å; A1358-L1360 VanDerWaalsContact C-N 3.26Å; A1358-L1360 PolarHBondContact O-N 3.16Å; A1358-L1360 VanDerWaalsContact O-N 3.16Å; A1358-S1361 PolarHBondContact O-N 2.78Å; A1358-L1362 HydrophobicContact CB-CD1 3.75Å; A1358-L1362 HydrophobicContact CB-CG 4.25Å; A1358-L1362 VanDerWaalsContact O-CB 3.25Å; A1358-L1362 WeakPolarHBondContact O-CB 3.28Å; A1358-L1362 WeakPolarHBondContact O-CG 3.3Å; A1358-L1362 PolarHBondContact O-N 3.39Å; A1358-L1362 VanDerWaalsContact O-N 3.11Å; A1358-L1367 HydrophobicContact CB-CD1 4.11Å; A1358-F1370 HydrophobicContact CB-CD2 4.12Å; A1358-F1370 HydrophobicContact CB-CE2 3.82Å; A1358-F1370 HydrophobicContact CB-CZ 4.28Å |
| 1359 | C | 85.1 | Confident | 81.6 | Confident | 17.8 Ų | 17.8 | 67.7 Ų | 67.7 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.9 | -14.9 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 114.7 | R1339 P1354 P1355 L1356 W1357 L1367 L1866 P1908 | R1339-C1359 PolarHBondContact NH1-SG 3.09Å; R1339-C1359 VanDerWaalsContact NH1-SG 3.38Å; R1339-C1359 PolarHBondContact NH2-SG 3.05Å; P1354-C1359 PolarHBondContact O-SG 3.29Å; P1355-C1359 PolarHBondContact O-N 3.3Å; P1355-C1359 VanDerWaalsContact O-N 3.12Å; P1355-C1359 PolarHBondContact O-SG 3.4Å; P1355-C1359 VanDerWaalsContact O-SG 3.38Å; L1356-C1359 CarbonylContact O-C 3.5Å; L1356-C1359 WeakPolarHBondContact O-CB 3.34Å; L1356-C1359 PolarHBondContact O-N 3.05Å; L1356-C1359 VanDerWaalsContact O-N 3.16Å; W1357-C1359 VanDerWaalsContact C-N 3.33Å; W1357-C1359 PolarHBondContact O-N 3.23Å; C1359-L1367 HydrophobicContact CB-CD1 4.32Å; C1359-L1866 HydrophobicContact CB-CD1 4.47Å; C1359-P1908 HydrophobicContact CB-CB 4.26Å; C1359-P1908 WeakPolarHBondContact O-CB 3.39Å; C1359-P1908 WeakPolarHBondContact O-CG 3.36Å |
| 1360 | L | 84.5 | Confident | 81.7 | Confident | 83.4 Ų | 83.4 | 65.7 Ų | 65.7 | 44% | 0.437 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -108.5 | -22.5 | -179.2 | -68.9 | 170.9 | 0 | 0 | 0 | 113.4 | I1332 L1356 W1357 A1358 R1862 N1863 L1866 | I1332-L1360 HydrophobicContact CD1-CD1 3.92Å; I1332-L1360 HydrophobicContact CG1-CD1 3.94Å; I1332-L1360 HydrophobicContact CG2-CD1 4.11Å; L1356-L1360 HydrophobicContact CD1-CD1 4.21Å; L1356-L1360 HydrophobicContact CD1-CG 4.38Å; L1356-L1360 HydrophobicContact CG-CD1 3.95Å; L1356-L1360 HydrophobicContact CG-CG 4.46Å; L1356-L1360 WeakPolarHBondContact O-CB 3.38Å; L1356-L1360 VanDerWaalsContact O-CG 3.31Å; L1356-L1360 WeakPolarHBondContact O-CG 3.34Å; L1356-L1360 PolarHBondContact O-N 2.98Å; L1356-L1360 VanDerWaalsContact O-N 3.11Å; W1357-L1360 CarbonylContact O-C 3.51Å; W1357-L1360 PolarHBondContact O-N 3.32Å; W1357-L1360 VanDerWaalsContact O-N 3.13Å; A1358-L1360 VanDerWaalsContact C-N 3.26Å; A1358-L1360 PolarHBondContact O-N 3.16Å; A1358-L1360 VanDerWaalsContact O-N 3.16Å; L1360-R1862 HydrophobicContact CD2-CG 4.08Å; L1360-N1863 VanDerWaalsContact CD1-OD1 3.27Å; L1360-N1863 WeakPolarHBondContact CD1-OD1 3.43Å; L1360-L1866 HydrophobicContact CD2-CD1 3.61Å; L1360-L1866 HydrophobicContact CG-CD1 4.09Å |
| 1361 | S | 83.3 | Confident | 81.4 | Confident | 86.8 Ų | 86.8 | 66 Ų | 66 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -115.5 | -22.3 | -171.8 | -39.9 | 0 | 0 | 0 | 0 | 115.3 | W1357 A1358 | W1357-S1361 VanDerWaalsContact O-CB 3.28Å; W1357-S1361 WeakPolarHBondContact O-CB 3.34Å; W1357-S1361 PolarHBondContact O-N 3.27Å; W1357-S1361 PolarHBondContact O-OG 3.18Å; A1358-S1361 PolarHBondContact O-N 2.78Å |
| 1362 | L | 84.7 | Confident | 80.6 | Confident | 49.4 Ų | 49.4 | 64.3 Ų | 64.3 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -90.1 | 146.7 | -178.2 | -63.2 | -179.2 | 0 | 0 | 0 | 112 | W1357 A1358 E1366 L1367 F1370 | W1357-L1362 HydrophobicContact CZ3-CD2 4.45Å; W1357-L1362 HydrophobicContact CZ3-CG 4.45Å; A1358-L1362 HydrophobicContact CB-CD1 3.75Å; A1358-L1362 HydrophobicContact CB-CG 4.25Å; A1358-L1362 VanDerWaalsContact O-CB 3.25Å; A1358-L1362 WeakPolarHBondContact O-CB 3.28Å; A1358-L1362 WeakPolarHBondContact O-CG 3.3Å; A1358-L1362 PolarHBondContact O-N 3.39Å; A1358-L1362 VanDerWaalsContact O-N 3.11Å; L1362-E1366 HydrophobicContact CB-CB 4.08Å; L1362-E1366 HydrophobicContact CD1-CB 4.4Å; L1362-E1366 HydrophobicContact CD2-CB 4.37Å; L1362-E1366 WeakPolarHBondContact CD2-OE2 3.28Å; L1362-L1367 HydrophobicContact CB-CB 4.28Å; L1362-L1367 HydrophobicContact CD1-CD1 4.5Å; L1362-F1370 HydrophobicContact CD1-CD2 3.62Å; L1362-F1370 VanDerWaalsContact CD1-CD2 3.48Å; L1362-F1370 HydrophobicContact CD1-CE2 4.14Å; L1362-F1370 HydrophobicContact CD1-CG 4.48Å |
| 1363 | E | 82.9 | Confident | 79.5 | Confident | 143 Ų | 143 | 64.1 Ų | 64.1 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | trans | -67.2 | 154.7 | 168.9 | -106.6 | -177.5 | -175.7 | 0 | 0 | 111 | R1365 E1366 L1367 | E1363-R1365 PolarHBondContact O-N 3.11Å; E1363-R1365 VanDerWaalsContact O-N 3.12Å; E1363-E1366 PolarHBondContact N-OE2 3.22Å; E1363-E1366 PolarHBondContact O-N 3.06Å; E1363-L1367 WeakPolarHBondContact O-CB 3.16Å; E1363-L1367 PolarHBondContact O-N 3.05Å | ||
| 1364 | S | 82 | Confident | 77.8 | Confident | 52.4 Ų | 52.4 | 70.2 Ų | 70.2 | 37% | 0.366 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -47.5 | -38.8 | -178.4 | -25.5 | 0 | 0 | 0 | 0 | 113.6 | M1368 | S1364-M1368 WeakPolarHBondContact O-CB 3.41Å; S1364-M1368 WeakPolarHBondContact O-CG 3.33Å; S1364-M1368 PolarHBondContact O-N 3.26Å |
| 1365 | R | 80.8 | Confident | 76.4 | Confident | 198 Ų | 198 | 72.2 Ų | 72.2 | 75% | 0.747 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -72.4 | -37.7 | -179.4 | -168.7 | 178.1 | -173 | -176 | 1.7 | 113 | E1363 N1369 | E1363-R1365 PolarHBondContact O-N 3.11Å; E1363-R1365 VanDerWaalsContact O-N 3.12Å; R1365-N1369 WeakPolarHBondContact O-CB 3.49Å; R1365-N1369 VanDerWaalsContact O-CG 3.28Å; R1365-N1369 PolarHBondContact O-N 3.29Å; R1365-N1369 VanDerWaalsContact O-N 3.13Å; R1365-N1369 PolarHBondContact O-ND2 2.99Å; R1365-N1369 VanDerWaalsContact O-ND2 3.14Å |
| 1366 | E | 81.6 | Confident | 74.4 | Confident | 105.2 Ų | 105.2 | 77.8 Ų | 77.8 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.2 | -40.9 | 176.3 | -61.9 | -177.9 | 137.4 | 0 | 0 | 110.6 | L1362 E1363 M1368 N1369 F1370 | L1362-E1366 HydrophobicContact CB-CB 4.08Å; L1362-E1366 HydrophobicContact CD1-CB 4.4Å; L1362-E1366 HydrophobicContact CD2-CB 4.37Å; L1362-E1366 WeakPolarHBondContact CD2-OE2 3.28Å; E1363-E1366 PolarHBondContact N-OE2 3.22Å; E1363-E1366 PolarHBondContact O-N 3.06Å; E1366-M1368 VanDerWaalsContact C-N 3.34Å; E1366-M1368 PolarHBondContact O-N 3.27Å; E1366-N1369 CarbonylContact O-C 3.49Å; E1366-N1369 WeakPolarHBondContact O-CA 3.39Å; E1366-N1369 PolarHBondContact O-N 3.28Å; E1366-N1369 VanDerWaalsContact O-N 3.16Å; E1366-F1370 PolarHBondContact O-N 2.93Å; E1366-F1370 VanDerWaalsContact O-N 3.12Å |
| 1367 | L | 82.3 | Confident | 72.6 | Confident | 24.6 Ų | 24.6 | 80.6 Ų | 80.6 | 13% | 0.129 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -38 | 176 | -169.8 | 95.2 | 0 | 0 | 0 | 112.2 | P1354 A1358 C1359 L1362 E1363 N1369 F1370 P1908 C1911 H1915 | P1354-L1367 HydrophobicContact CB-CD1 3.75Å; P1354-L1367 HydrophobicContact CG-CD1 3.79Å; P1354-L1367 HydrophobicContact CG-CD2 4.21Å; P1354-L1367 HydrophobicContact CG-CG 4.32Å; A1358-L1367 HydrophobicContact CB-CD1 4.11Å; C1359-L1367 HydrophobicContact CB-CD1 4.32Å; L1362-L1367 HydrophobicContact CB-CB 4.28Å; L1362-L1367 HydrophobicContact CD1-CD1 4.5Å; E1363-L1367 WeakPolarHBondContact O-CB 3.16Å; E1363-L1367 PolarHBondContact O-N 3.05Å; L1367-N1369 PolarHBondContact O-N 3.37Å; L1367-F1370 VanDerWaalsContact O-CB 3.29Å; L1367-F1370 WeakPolarHBondContact O-CB 3.34Å; L1367-F1370 PolarHBondContact O-N 3.19Å; L1367-F1370 VanDerWaalsContact O-N 3.14Å; L1367-P1908 HydrophobicContact CD2-CB 4.38Å; L1367-C1911 HydrophobicContact CB-CB 4.47Å; L1367-C1911 HydrophobicContact CD2-CB 3.66Å; L1367-C1911 HydrophobicContact CG-CB 3.72Å; L1367-H1915 PolarHBondContact O-NE2 2.98Å |
| 1368 | M | 78.2 | Confident | 70.3 | Confident | 76.6 Ų | 76.6 | 83 Ų | 83 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.8 | -31.8 | 172.4 | -73.9 | -82.6 | -75.4 | 0 | 0 | 112.9 | S1364 E1366 F1370 C1911 Y1914 H1915 V1944 E1947 | S1364-M1368 WeakPolarHBondContact O-CB 3.41Å; S1364-M1368 WeakPolarHBondContact O-CG 3.33Å; S1364-M1368 PolarHBondContact O-N 3.26Å; E1366-M1368 VanDerWaalsContact C-N 3.34Å; E1366-M1368 PolarHBondContact O-N 3.27Å; M1368-F1370 VanDerWaalsContact C-N 3.27Å; M1368-F1370 PolarHBondContact O-N 2.86Å; M1368-C1911 HydrophobicContact SD-CB 4.06Å; M1368-C1911 VanDerWaalsContact SD-SG 3.69Å; M1368-Y1914 HydrophobicContact CE-CD1 3.56Å; M1368-Y1914 HydrophobicContact CE-CD2 3.43Å; M1368-Y1914 VanDerWaalsContact CE-CD2 3.46Å; M1368-Y1914 HydrophobicContact CE-CE1 3.8Å; M1368-Y1914 HydrophobicContact CE-CE2 3.67Å; M1368-Y1914 HydrophobicContact CE-CG 3.35Å; M1368-Y1914 HydrophobicContact SD-CD1 3.63Å; M1368-Y1914 HydrophobicContact SD-CD2 4.3Å; M1368-Y1914 HydrophobicContact SD-CE1 4.3Å; M1368-Y1914 HydrophobicContact SD-CG 3.61Å; M1368-Y1914 VanDerWaalsContact SD-CG 3.59Å; M1368-H1915 PolarHBondContact O-CE1 3.39Å; M1368-H1915 PolarHBondContact O-NE2 3.02Å; M1368-V1944 HydrophobicContact CE-CG1 4.32Å; M1368-V1944 HydrophobicContact CG-CG2 4.11Å; M1368-V1944 HydrophobicContact SD-CG1 3.88Å; M1368-V1944 HydrophobicContact SD-CG2 4.26Å; M1368-E1947 HydrophobicContact CE-CB 3.4Å; M1368-E1947 VanDerWaalsContact CE-CB 3.4Å; M1368-E1947 HydrophobicContact CE-CG 3.86Å |
| 1369 | N | 79.6 | Confident | 68 | Low | 120.8 Ų | 120.8 | 86.7 Ų | 86.7 | 65% | 0.646 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 1.7 | 176.8 | -69.6 | -21.1 | 0 | 0 | 0 | 113.5 | R1365 E1366 L1367 Q1371 | R1365-N1369 WeakPolarHBondContact O-CB 3.49Å; R1365-N1369 VanDerWaalsContact O-CG 3.28Å; R1365-N1369 PolarHBondContact O-N 3.29Å; R1365-N1369 VanDerWaalsContact O-N 3.13Å; R1365-N1369 PolarHBondContact O-ND2 2.99Å; R1365-N1369 VanDerWaalsContact O-ND2 3.14Å; E1366-N1369 CarbonylContact O-C 3.49Å; E1366-N1369 WeakPolarHBondContact O-CA 3.39Å; E1366-N1369 PolarHBondContact O-N 3.28Å; E1366-N1369 VanDerWaalsContact O-N 3.16Å; L1367-N1369 PolarHBondContact O-N 3.37Å; N1369-Q1371 PolarHBondContact O-N 3Å; N1369-Q1371 VanDerWaalsContact O-N 3.08Å |
| 1370 | F | 77.2 | Confident | 65.5 | Low | 38.6 Ų | 38.6 | 89.4 Ų | 89.4 | 17% | 0.169 | 47% | 0.469 | C | S | . | . | trans | -69.7 | 105.3 | -171.5 | -168 | -85.1 | 0 | 0 | 0 | 112.5 | P1354 P1355 W1357 A1358 L1362 E1366 L1367 M1368 T1372 L1375 H1915 | P1354-F1370 HydrophobicContact CB-CB 4.43Å; P1354-F1370 HydrophobicContact CB-CD1 3.75Å; P1354-F1370 HydrophobicContact CB-CE1 4.2Å; P1354-F1370 HydrophobicContact CB-CG 4.05Å; P1354-F1370 HydrophobicContact CG-CB 4.15Å; P1354-F1370 HydrophobicContact CG-CD1 4.02Å; P1354-F1370 HydrophobicContact CG-CG 4.24Å; P1355-F1370 VanDerWaalsContact CD-CE1 3.42Å; P1355-F1370 VanDerWaalsContact CD-CZ 3.47Å; P1355-F1370 HydrophobicContact CG-CE1 4.25Å; P1355-F1370 HydrophobicContact CG-CE2 4.39Å; P1355-F1370 HydrophobicContact CG-CZ 3.83Å; W1357-F1370 AromaticContact CH2-CE2 3.91Å; W1357-F1370 HydrophobicContact CH2-CE2 4.14Å; W1357-F1370 HydrophobicContact CH2-CZ 4.42Å; W1357-F1370 HydrophobicContact CZ2-CE2 4.27Å; W1357-F1370 HydrophobicContact CZ2-CZ 4.31Å; A1358-F1370 HydrophobicContact CB-CD2 4.12Å; A1358-F1370 HydrophobicContact CB-CE2 3.82Å; A1358-F1370 HydrophobicContact CB-CZ 4.28Å; L1362-F1370 HydrophobicContact CD1-CD2 3.62Å; L1362-F1370 VanDerWaalsContact CD1-CD2 3.48Å; L1362-F1370 HydrophobicContact CD1-CE2 4.14Å; L1362-F1370 HydrophobicContact CD1-CG 4.48Å; E1366-F1370 PolarHBondContact O-N 2.93Å; E1366-F1370 VanDerWaalsContact O-N 3.12Å; L1367-F1370 VanDerWaalsContact O-CB 3.29Å; L1367-F1370 WeakPolarHBondContact O-CB 3.34Å; L1367-F1370 PolarHBondContact O-N 3.19Å; L1367-F1370 VanDerWaalsContact O-N 3.14Å; M1368-F1370 VanDerWaalsContact C-N 3.27Å; M1368-F1370 PolarHBondContact O-N 2.86Å; F1370-T1372 HydrophobicContact CD1-CG2 3.72Å; F1370-T1372 HydrophobicContact CE1-CG2 3.85Å; F1370-T1372 PolarHBondContact O-N 3.27Å; F1370-L1375 HydrophobicContact CE1-CD1 3.99Å; F1370-L1375 HydrophobicContact CZ-CD1 3.91Å; F1370-H1915 PolarHBondContact O-CE1 3.43Å | ||
| 1371 | Q | 70.4 | Confident | 62.9 | Low | 124.6 Ų | 124.6 | 90.3 Ų | 90.3 | 58% | 0.582 | 48% | 0.479 | S | S | * | . | trans | -83.4 | 105.5 | 179.1 | -107 | 178.1 | -15 | 0 | 0 | 111.7 | N1369 S1373 L1639 | N1369-Q1371 PolarHBondContact O-N 3Å; N1369-Q1371 VanDerWaalsContact O-N 3.08Å; Q1371-S1373 VanDerWaalsContact C-N 3.29Å; Q1371-S1373 VanDerWaalsContact CG-OG 3.28Å; Q1371-S1373 WeakPolarHBondContact CG-OG 3.31Å; Q1371-S1373 PolarHBondContact NE2-OG 3.37Å; Q1371-S1373 PolarHBondContact O-N 3.18Å; Q1371-S1373 PolarHBondContact O-OG 2.9Å; Q1371-L1639 PolarHBondContact NE2-O 3.07Å | ||
| 1372 | T | 62.6 | Low | 60.2 | Low | 21.6 Ų | 21.6 | 94.5 Ų | 94.5 | 13% | 0.133 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -75.5 | 9.8 | 180 | 54 | 0 | 0 | 0 | 0 | 115.1 | R1345 K1352 F1370 N1374 | R1345-T1372 PolarHBondContact NH2-O 3.39Å; K1352-T1372 HydrophobicContact CB-CG2 3.72Å; K1352-T1372 WeakPolarHBondContact CB-OG1 3.05Å; K1352-T1372 WeakPolarHBondContact CD-O 3.44Å; K1352-T1372 WeakPolarHBondContact CD-OG1 3.35Å; K1352-T1372 PolarHBondContact NZ-O 2.99Å; K1352-T1372 WeakPolarHBondContact O-CG2 3.33Å; K1352-T1372 PolarHBondContact O-OG1 2.87Å; K1352-T1372 VanDerWaalsContact O-OG1 3.08Å; F1370-T1372 HydrophobicContact CD1-CG2 3.72Å; F1370-T1372 HydrophobicContact CE1-CG2 3.85Å; F1370-T1372 PolarHBondContact O-N 3.27Å; T1372-N1374 VanDerWaalsContact C-N 3.29Å; T1372-N1374 PolarHBondContact O-N 2.97Å |
| 1373 | S | 54 | Low | 57.7 | Low | 77.6 Ų | 77.6 | 97.6 Ų | 97.6 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -72.6 | -24.3 | -177.2 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | Q1371 L1375 | Q1371-S1373 VanDerWaalsContact C-N 3.29Å; Q1371-S1373 VanDerWaalsContact CG-OG 3.28Å; Q1371-S1373 WeakPolarHBondContact CG-OG 3.31Å; Q1371-S1373 PolarHBondContact NE2-OG 3.37Å; Q1371-S1373 PolarHBondContact O-N 3.18Å; Q1371-S1373 PolarHBondContact O-OG 2.9Å; S1373-L1375 VanDerWaalsContact C-N 3.35Å; S1373-L1375 PolarHBondContact O-N 3.4Å |
| 1374 | N | 44.9 | Very low | 55.1 | Low | 134.2 Ų | 134.2 | 95.5 Ų | 95.5 | 72% | 0.718 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -108.1 | 13.9 | -170.2 | -63.1 | -8.7 | 0 | 0 | 0 | 114.1 | T1372 D1376 | T1372-N1374 VanDerWaalsContact C-N 3.29Å; T1372-N1374 PolarHBondContact O-N 2.97Å; N1374-D1376 PolarHBondContact O-N 3.11Å |
| 1375 | L | 52.2 | Low | 52.5 | Low | 48.4 Ų | 48.4 | 98.9 Ų | 98.9 | 25% | 0.253 | 53% | 0.525 | S | S | . | . | trans | -103.2 | 100.4 | 175.3 | -83.2 | 133.7 | 0 | 0 | 0 | 111.1 | R1345 P1355 W1357 F1370 S1373 Y1377 | R1345-L1375 PolarHBondContact NH1-O 3.13Å; R1345-L1375 PolarHBondContact NH2-O 3.46Å; P1355-L1375 HydrophobicContact CG-CD1 4.09Å; P1355-L1375 HydrophobicContact CG-CD2 4.47Å; W1357-L1375 HydrophobicContact CZ2-CD1 4.4Å; F1370-L1375 HydrophobicContact CE1-CD1 3.99Å; F1370-L1375 HydrophobicContact CZ-CD1 3.91Å; S1373-L1375 VanDerWaalsContact C-N 3.35Å; S1373-L1375 PolarHBondContact O-N 3.4Å; L1375-Y1377 HydrophobicContact CB-CD2 3.99Å; L1375-Y1377 HydrophobicContact CB-CE2 3.67Å; L1375-Y1377 HydrophobicContact CD1-CE2 4.41Å; L1375-Y1377 HydrophobicContact CD2-CE1 4.2Å; L1375-Y1377 HydrophobicContact CD2-CE2 3.99Å; L1375-Y1377 HydrophobicContact CG-CE2 4.32Å; L1375-Y1377 VanDerWaalsContact O-CD2 3.31Å; L1375-Y1377 WeakPolarHBondContact O-CD2 3.34Å; L1375-Y1377 PolarHBondContact O-N 3.04Å; L1375-Y1377 VanDerWaalsContact O-N 3.16Å | ||
| 1376 | D | 42.7 | Very low | 49.9 | Very low | 121 Ų | 121 | 95.1 Ų | 95.1 | 65% | 0.647 | 52% | 0.524 | S | S | * | . | trans | -74.3 | 105.9 | 158.7 | -91.1 | -35.2 | 0 | 0 | 0 | 109.1 | N1374 N1378 S1379 | N1374-D1376 PolarHBondContact O-N 3.11Å; D1376-N1378 PolarHBondContact O-N 3.18Å; D1376-S1379 VanDerWaalsContact CB-OG 3.29Å; D1376-S1379 WeakPolarHBondContact CB-OG 3.37Å; D1376-S1379 CarbonylContact O-C 3.55Å; D1376-S1379 PolarHBondContact O-N 3.06Å; D1376-S1379 PolarHBondContact O-OG 2.87Å; D1376-S1379 VanDerWaalsContact O-OG 3.08Å | ||
| 1377 | Y | 46.1 | Very low | 47.3 | Very low | 72.2 Ų | 72.2 | 95 Ų | 95 | 28% | 0.283 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 4.4 | -178.8 | -83.4 | -83.5 | 0 | 0 | 0 | 114.8 | R1339 A1340 R1345 K1352 S1353 L1375 V1380 | R1339-Y1377 PolarHBondContact NH2-OH 3.06Å; A1340-Y1377 HydrophobicContact CB-CD1 3.37Å; A1340-Y1377 HydrophobicContact CB-CE1 3.86Å; A1340-Y1377 VanDerWaalsContact CB-CE1 3.5Å; A1340-Y1377 HydrophobicContact CB-CG 4.07Å; R1345-Y1377 VanDerWaalsContact NH2-CE2 3.31Å; K1352-Y1377 HydrophobicContact CB-CE2 4.47Å; K1352-Y1377 HydrophobicContact CD-CE2 4.04Å; K1352-Y1377 HydrophobicContact CG-CE2 4.11Å; S1353-Y1377 PolarHBondContact O-OH 3.1Å; L1375-Y1377 HydrophobicContact CB-CD2 3.99Å; L1375-Y1377 HydrophobicContact CB-CE2 3.67Å; L1375-Y1377 HydrophobicContact CD1-CE2 4.41Å; L1375-Y1377 HydrophobicContact CD2-CE1 4.2Å; L1375-Y1377 HydrophobicContact CD2-CE2 3.99Å; L1375-Y1377 HydrophobicContact CG-CE2 4.32Å; L1375-Y1377 VanDerWaalsContact O-CD2 3.31Å; L1375-Y1377 WeakPolarHBondContact O-CD2 3.34Å; L1375-Y1377 PolarHBondContact O-N 3.04Å; L1375-Y1377 VanDerWaalsContact O-N 3.16Å; Y1377-V1380 HydrophobicContact CD1-CG2 4.17Å |
| 1378 | N | 37.6 | Very low | 44.6 | Very low | 146.4 Ų | 146.4 | 103.2 Ų | 103.2 | 78% | 0.783 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -7.5 | 172.2 | -66.1 | -36.8 | 0 | 0 | 0 | 113.1 | R1341 D1376 | R1341-N1378 PolarHBondContact NH2-OD1 3.15Å; D1376-N1378 PolarHBondContact O-N 3.18Å |
| 1379 | S | 34.6 | Very low | 42.3 | Very low | 78 Ų | 78 | 107 Ų | 107 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -129.8 | 72.8 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | D1376 | D1376-S1379 VanDerWaalsContact CB-OG 3.29Å; D1376-S1379 WeakPolarHBondContact CB-OG 3.37Å; D1376-S1379 CarbonylContact O-C 3.55Å; D1376-S1379 PolarHBondContact O-N 3.06Å; D1376-S1379 PolarHBondContact O-OG 2.87Å; D1376-S1379 VanDerWaalsContact O-OG 3.08Å | ||
| 1380 | V | 32.5 | Very low | 39.7 | Very low | 75.2 Ų | 75.2 | 109.7 Ų | 109.7 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | trans | -76.9 | 127.9 | 169.7 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | Y1377 E1382 | Y1377-V1380 HydrophobicContact CD1-CG2 4.17Å; V1380-E1382 PolarHBondContact O-N 3.08Å | ||
| 1381 | P | 30 | Very low | 37.5 | Very low | 101.6 Ų | 101.6 | 115.2 Ų | 115.2 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | trans | -63.3 | 130.1 | 174.5 | -12.1 | 21 | 0 | 0 | 0 | 110.9 | V1383 | P1381-V1383 VanDerWaalsContact C-N 3.29Å; P1381-V1383 PolarHBondContact O-N 3.08Å; P1381-V1383 VanDerWaalsContact O-N 3.11Å | ||
| 1382 | E | 28 | Very low | 35.4 | Very low | 174.8 Ų | 174.8 | 118.3 Ų | 118.3 | 82% | 0.817 | 64% | 0.641 | S | S | * | * | trans | -68.5 | 97.3 | 171.1 | -173.7 | 174.9 | -168.3 | 0 | 0 | 108.8 | V1380 V1384 | V1380-E1382 PolarHBondContact O-N 3.08Å; E1382-V1384 VanDerWaalsContact C-N 3.31Å; E1382-V1384 HydrophobicContact CG-CG2 4.25Å; E1382-V1384 PolarHBondContact O-N 3.22Å; E1382-V1384 VanDerWaalsContact O-N 3.07Å | ||
| 1383 | V | 31.8 | Very low | 33.8 | Very low | 114.4 Ų | 114.4 | 125.1 Ų | 125.1 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | trans | -72.7 | 93.2 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | P1381 V1385 | P1381-V1383 VanDerWaalsContact C-N 3.29Å; P1381-V1383 PolarHBondContact O-N 3.08Å; P1381-V1383 VanDerWaalsContact O-N 3.11Å; V1383-V1385 VanDerWaalsContact C-N 3.35Å; V1383-V1385 PolarHBondContact O-N 3.09Å; V1383-V1385 VanDerWaalsContact O-N 3.13Å | ||
| 1384 | V | 27.3 | Very low | 32.4 | Very low | 98.4 Ų | 98.4 | 128.3 Ų | 128.3 | 60% | 0.596 | 69% | 0.687 | S | S | * | * | trans | -64.1 | 100.7 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | E1382 T1386 | E1382-V1384 VanDerWaalsContact C-N 3.31Å; E1382-V1384 HydrophobicContact CG-CG2 4.25Å; E1382-V1384 PolarHBondContact O-N 3.22Å; E1382-V1384 VanDerWaalsContact O-N 3.07Å; V1384-T1386 VanDerWaalsContact C-N 3.31Å; V1384-T1386 HydrophobicContact CB-CG2 4.38Å; V1384-T1386 HydrophobicContact CG1-CG2 3.76Å; V1384-T1386 PolarHBondContact O-N 3.18Å | ||
| 1385 | V | 27 | Very low | 31.8 | Very low | 125.6 Ų | 125.6 | 128.4 Ų | 128.4 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | trans | -72.8 | 85.4 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | V1383 S1387 | V1383-V1385 VanDerWaalsContact C-N 3.35Å; V1383-V1385 PolarHBondContact O-N 3.09Å; V1383-V1385 VanDerWaalsContact O-N 3.13Å; V1385-S1387 PolarHBondContact O-N 3.28Å; V1385-S1387 VanDerWaalsContact O-N 3.13Å | ||
| 1386 | T | 26.6 | Very low | 30.7 | Very low | 117.8 Ų | 117.8 | 130.7 Ų | 130.7 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | trans | -77.4 | 90.1 | 174.1 | 44.2 | 0 | 0 | 0 | 0 | 110.4 | V1384 K1388 | V1384-T1386 VanDerWaalsContact C-N 3.31Å; V1384-T1386 HydrophobicContact CB-CG2 4.38Å; V1384-T1386 HydrophobicContact CG1-CG2 3.76Å; V1384-T1386 PolarHBondContact O-N 3.18Å; T1386-K1388 PolarHBondContact O-N 3.19Å | ||
| 1387 | S | 26.6 | Very low | 30.1 | Very low | 102.6 Ų | 102.6 | 133 Ų | 133 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -83.5 | 96.1 | 167.6 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | V1385 I1389 | V1385-S1387 PolarHBondContact O-N 3.28Å; V1385-S1387 VanDerWaalsContact O-N 3.13Å; S1387-I1389 VanDerWaalsContact C-N 3.32Å; S1387-I1389 PolarHBondContact O-N 2.85Å | ||
| 1388 | K | 26.2 | Very low | 29.1 | Very low | 196.6 Ų | 196.6 | 136.3 Ų | 136.3 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -107.9 | 127.3 | 167.4 | -88.5 | 168.4 | -177.9 | 176.1 | 0 | 110.5 | T1386 | T1386-K1388 PolarHBondContact O-N 3.19Š| ||
| 1389 | I | 30.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | 108.9 | 100.9 | 164.4 | -58.9 | 162.8 | 0 | 0 | 0 | 110.9 | S1387 N1391 | S1387-I1389 VanDerWaalsContact C-N 3.32Å; S1387-I1389 PolarHBondContact O-N 2.85Å; I1389-N1391 HydrophobicContact CG2-CB 4.23Å; I1389-N1391 PolarHBondContact O-N 2.98Å | ||
| 1390 | E | 25.1 | Very low | 28.1 | Very low | 177.6 Ų | 177.6 | 137.2 Ų | 137.2 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 125.8 | 159 | -63.3 | 174.7 | 137.6 | 0 | 0 | 108.9 | ||||
| 1391 | N | 29.8 | Very low | 27.8 | Very low | 155.4 Ų | 155.4 | 139.1 Ų | 139.1 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -164.5 | 111.5 | 143.7 | -103 | -50.6 | 0 | 0 | 0 | 111.6 | I1389 L1393 | I1389-N1391 HydrophobicContact CG2-CB 4.23Å; I1389-N1391 PolarHBondContact O-N 2.98Å; N1391-L1393 PolarHBondContact O-N 3.49Å | ||
| 1392 | K | 26.8 | Very low | 27.6 | Very low | 188.6 Ų | 188.6 | 139 Ų | 139 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -14.9 | 107.8 | 165.9 | 178 | -171.1 | 178.4 | -178.8 | 0 | 114.4 | ||||
| 1393 | L | 28.9 | Very low | 27.6 | Very low | 164.4 Ų | 164.4 | 137.1 Ų | 137.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -165.2 | 122.2 | 143.2 | -122.2 | 113.8 | 0 | 0 | 0 | 111.2 | N1391 | N1391-L1393 PolarHBondContact O-N 3.49Š| ||
| 1394 | D | 25.7 | Very low | 27.3 | Very low | 145.2 Ų | 145.2 | 136.4 Ų | 136.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -66.9 | 140.5 | 162.2 | -62.6 | -61.2 | 0 | 0 | 0 | 113.8 | ||||
| 1395 | V | 31.8 | Very low | 27.4 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 173.5 | 132.7 | 137.3 | 159.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1396 | S | 28.7 | Very low | 27.5 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -20.3 | 138 | 160.1 | 60.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1397 | Q | 29.3 | Very low | 27.5 | Very low | 170.2 Ų | 170.2 | 137 Ų | 137 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | trans | 45.6 | 138.3 | 134.1 | -68.9 | 177.7 | -3.2 | 0 | 0 | 121.4 | ||||
| 1398 | N | 26.4 | Very low | 27.6 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 85.7 | 113.5 | 140.6 | -66 | -19.9 | 0 | 0 | 0 | 117.7 | ||||
| 1399 | T | 27.9 | Very low | 27.8 | Very low | 124.4 Ų | 124.4 | 134.5 Ų | 134.5 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | -168 | 119.4 | 117.3 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | V1401 | T1399-V1401 HydrophobicContact CG2-CG2 3.95Å; T1399-V1401 PolarHBondContact O-N 2.7Å | |||
| 1400 | C | 23 | Very low | 27.6 | Very low | 118.8 Ų | 118.8 | 135 Ų | 135 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | -90.1 | 132.3 | 161.7 | 136.8 | 0 | 0 | 0 | 0 | 109 | S1402 | C1400-S1402 PolarHBondContact O-N 3.45Š| ||
| 1401 | V | 26.7 | Very low | 27.8 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -108.4 | 101.6 | 176.4 | -160.8 | 0 | 0 | 0 | 0 | 109.3 | T1399 V1403 | T1399-V1401 HydrophobicContact CG2-CG2 3.95Å; T1399-V1401 PolarHBondContact O-N 2.7Å; V1401-V1403 HydrophobicContact CG1-CG2 4.29Å; V1401-V1403 PolarHBondContact O-N 3.13Å; V1401-V1403 VanDerWaalsContact O-N 3.12Å | ||
| 1402 | S | 25.9 | Very low | 27.9 | Very low | 100.4 Ų | 100.4 | 132.9 Ų | 132.9 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -69.5 | 113.6 | 173.7 | -40.2 | 0 | 0 | 0 | 0 | 110.5 | C1400 S1404 | C1400-S1402 PolarHBondContact O-N 3.45Å; S1402-S1404 VanDerWaalsContact C-N 3.29Å; S1402-S1404 PolarHBondContact O-N 3.07Å; S1402-S1404 VanDerWaalsContact O-N 3.14Å | ||
| 1403 | V | 26.8 | Very low | 28 | Very low | 134.2 Ų | 134.2 | 130.2 Ų | 130.2 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -87.6 | 89.9 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | V1401 S1405 | V1401-V1403 HydrophobicContact CG1-CG2 4.29Å; V1401-V1403 PolarHBondContact O-N 3.13Å; V1401-V1403 VanDerWaalsContact O-N 3.12Å; V1403-S1405 PolarHBondContact O-N 3.23Å | ||
| 1404 | S | 26.1 | Very low | 27.9 | Very low | 100.2 Ų | 100.2 | 129.9 Ų | 129.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -98.7 | 120.5 | 172.6 | -69.2 | 0 | 0 | 0 | 0 | 110 | S1402 T1406 | S1402-S1404 VanDerWaalsContact C-N 3.29Å; S1402-S1404 PolarHBondContact O-N 3.07Å; S1402-S1404 VanDerWaalsContact O-N 3.14Å; S1404-T1406 PolarHBondContact O-N 3.13Å; S1404-T1406 VanDerWaalsContact O-N 3.07Å | ||
| 1405 | S | 28.6 | Very low | 28 | Very low | 108.8 Ų | 108.8 | 127.9 Ų | 127.9 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -70.2 | 133.9 | 179 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | V1403 V1407 | V1403-S1405 PolarHBondContact O-N 3.23Å; S1405-V1407 PolarHBondContact O-N 3.45Å | ||
| 1406 | T | 29.2 | Very low | 27.9 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -126.1 | 125.8 | -179.1 | 43.4 | 0 | 0 | 0 | 0 | 110 | S1404 | S1404-T1406 PolarHBondContact O-N 3.13Å; S1404-T1406 VanDerWaalsContact O-N 3.07Å | ||
| 1407 | V | 27.9 | Very low | 27.9 | Very low | 118.4 Ų | 118.4 | 128.4 Ų | 128.4 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | -105.3 | 126.7 | 155.5 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | S1405 L1409 L1433 I1434 | S1405-V1407 PolarHBondContact O-N 3.45Å; V1407-L1409 PolarHBondContact O-N 3.39Å; V1407-L1433 HydrophobicContact CG1-CB 4.13Å; V1407-L1433 HydrophobicContact CG1-CD1 3.74Å; V1407-L1433 HydrophobicContact CG1-CD2 4.25Å; V1407-L1433 HydrophobicContact CG1-CG 4.25Å; V1407-I1434 HydrophobicContact CB-CD1 3.72Å; V1407-I1434 HydrophobicContact CB-CG1 3.94Å; V1407-I1434 HydrophobicContact CG1-CD1 4.18Å; V1407-I1434 HydrophobicContact CG1-CG1 3.87Å | ||
| 1408 | S | 28.3 | Very low | 27.9 | Very low | 100.6 Ų | 100.6 | 126.8 Ų | 126.8 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | trans | -88.9 | 148.6 | -174.7 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | L1433 | S1408-L1433 CarbonylContact C-O 3.46Å; S1408-L1433 VanDerWaalsContact O-CB 3.3Å; S1408-L1433 WeakPolarHBondContact O-CB 3.38Å | ||
| 1409 | L | 29.1 | Very low | 28.2 | Very low | 146.4 Ų | 146.4 | 126.4 Ų | 126.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -148.1 | 142.7 | 142.7 | -80.4 | 166.2 | 0 | 0 | 0 | 111.7 | V1407 L1411 D1431 L1433 | V1407-L1409 PolarHBondContact O-N 3.39Å; L1409-L1411 PolarHBondContact O-N 3.49Å; L1409-D1431 WeakPolarHBondContact CD1-O 3.48Å; L1409-L1433 CarbonylContact C-O 3.59Å; L1409-L1433 WeakPolarHBondContact CA-O 3.32Å; L1409-L1433 PolarHBondContact N-O 3.18Å; L1409-L1433 CarbonylContact O-C 3.58Å; L1409-L1433 PolarHBondContact O-N 2.91Å | ||
| 1410 | E | 27 | Very low | 28.3 | Very low | 166.8 Ų | 166.8 | 126.4 Ų | 126.4 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | 25 | 123.2 | 158.8 | -64.2 | -172.6 | 134.2 | 0 | 0 | 117.6 | ||||
| 1411 | L | 30.3 | Very low | 28.7 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | -147.1 | 118.4 | 138.3 | -85 | 172.3 | 0 | 0 | 0 | 112.9 | L1409 | L1409-L1411 PolarHBondContact O-N 3.49Š| ||
| 1412 | N | 30.7 | Very low | 28.9 | Very low | 133.2 Ų | 133.2 | 127.4 Ų | 127.4 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -117.5 | 138.4 | 160.7 | -79.4 | -41 | 0 | 0 | 0 | 116.3 | ||||
| 1413 | N | 29.3 | Very low | 29.2 | Very low | 130.2 Ų | 130.2 | 128.9 Ų | 128.9 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | 67.1 | 131 | 144.3 | -76.3 | -28.8 | 0 | 0 | 0 | 118.8 | ||||
| 1414 | L | 28.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | 103.1 | 137.5 | 128.9 | -84.9 | 115.2 | 0 | 0 | 0 | 115.1 | |||||
| 1415 | S | 27.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | 179.2 | 134.5 | 75.6 | -164.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1416 | S | 28.8 | Very low | 29.6 | Very low | 103.2 Ų | 103.2 | 131.2 Ų | 131.2 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 76.2 | 119.3 | 137.9 | -86.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1417 | N | 29.1 | Very low | 29.8 | Very low | 138.6 Ų | 138.6 | 130.2 Ų | 130.2 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | -165.5 | 119.2 | 99.7 | -107.6 | -17.5 | 0 | 0 | 0 | 112.3 | |||||
| 1418 | N | 29.5 | Very low | 29.9 | Very low | 136.6 Ų | 136.6 | 133.7 Ų | 133.7 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | 70.2 | 120 | 112.9 | -103.2 | -7.8 | 0 | 0 | 0 | 115.9 | |||||
| 1419 | N | 31.4 | Very low | 30 | Very low | 133.6 Ų | 133.6 | 134.2 Ų | 134.2 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | trans | 109.6 | 130.9 | 150.1 | -76.9 | -33.9 | 0 | 0 | 0 | 116.6 | ||||
| 1420 | N | 30.5 | Very low | 30.1 | Very low | 124.8 Ų | 124.8 | 137.6 Ų | 137.6 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | trans | 106.2 | 138.8 | 135.3 | -84.9 | -25.7 | 0 | 0 | 0 | 116 | ||||
| 1421 | N | 32 | Very low | 30.1 | Very low | 128.8 Ų | 128.8 | 136.3 Ų | 136.3 | 69% | 0.689 | 74% | 0.738 | S | S | * | * | 112.7 | 136.5 | 116.4 | -81.8 | -25.5 | 0 | 0 | 0 | 117.9 | |||||
| 1422 | N | 30.3 | Very low | 30.1 | Very low | 125.8 Ų | 125.8 | 135 Ų | 135 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | 74.6 | 119.4 | 126.3 | -74.3 | -11.6 | 0 | 0 | 0 | 119.3 | |||||
| 1423 | N | 32.1 | Very low | 29.9 | Very low | 131.8 Ų | 131.8 | 135.2 Ų | 135.2 | 71% | 0.705 | 74% | 0.737 | S | S | * | * | 112.3 | 124.1 | 120 | -70.4 | -23.5 | 0 | 0 | 0 | 119.8 | |||||
| 1424 | N | 30.5 | Very low | 29.8 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 64 | 106.1 | 134.5 | -61.8 | -7.6 | 0 | 0 | 0 | 120.9 | ||||
| 1425 | S | 31.8 | Very low | 29.8 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | 125.1 | 126.8 | 94.1 | -49.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1426 | N | 28.3 | Very low | 29.9 | Very low | 153.6 Ų | 153.6 | 133.2 Ų | 133.2 | 82% | 0.821 | 72% | 0.724 | S | S | * | * | trans | 50 | 114.7 | 138.9 | -57.4 | -16.7 | 0 | 0 | 0 | 119 | ||||
| 1427 | S | 31.9 | Very low | 29.9 | Very low | 105.8 Ų | 105.8 | 133.2 Ų | 133.2 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | 169.2 | 141.7 | 81.4 | 48.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1428 | K | 31.2 | Very low | 30.1 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | 80.5 | 117.6 | 130.9 | -81.6 | 177.4 | 179.6 | 176.2 | 0 | 118.5 | ||||
| 1429 | T | 30 | Very low | 30.1 | Very low | 111.2 Ų | 111.2 | 131 Ų | 131 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | 84.4 | 126 | 139.1 | 45.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1430 | R | 30.5 | Very low | 30.1 | Very low | 218.6 Ų | 218.6 | 131.9 Ų | 131.9 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | 115.5 | 126 | 114.2 | -78.2 | 178.4 | -180 | 128.4 | -1.8 | 112.8 | |||||
| 1431 | D | 28 | Very low | 30 | Very low | 137.8 Ų | 137.8 | 131.8 Ų | 131.8 | 74% | 0.737 | 74% | 0.736 | S | S | * | * | -174.9 | 149.6 | 109.4 | -65.4 | -46.9 | 0 | 0 | 0 | 110 | L1409 | L1409-D1431 WeakPolarHBondContact CD1-O 3.48Š| |||
| 1432 | V | 30.1 | Very low | 29.9 | Very low | 130.2 Ų | 130.2 | 133.4 Ų | 133.4 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | 125.5 | 121.4 | 70 | -179.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1433 | L | 27.5 | Very low | 29.9 | Very low | 137.2 Ų | 137.2 | 133.4 Ų | 133.4 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | -141 | 140.5 | 177.2 | -85.9 | 169.8 | 0 | 0 | 0 | 111.5 | V1407 S1408 L1409 | V1407-L1433 HydrophobicContact CG1-CB 4.13Å; V1407-L1433 HydrophobicContact CG1-CD1 3.74Å; V1407-L1433 HydrophobicContact CG1-CD2 4.25Å; V1407-L1433 HydrophobicContact CG1-CG 4.25Å; S1408-L1433 CarbonylContact C-O 3.46Å; S1408-L1433 VanDerWaalsContact O-CB 3.3Å; S1408-L1433 WeakPolarHBondContact O-CB 3.38Å; L1409-L1433 CarbonylContact C-O 3.59Å; L1409-L1433 WeakPolarHBondContact CA-O 3.32Å; L1409-L1433 PolarHBondContact N-O 3.18Å; L1409-L1433 CarbonylContact O-C 3.58Å; L1409-L1433 PolarHBondContact O-N 2.91Å | ||
| 1434 | I | 27.2 | Very low | 29.8 | Very low | 111.8 Ų | 111.8 | 132 Ų | 132 | 57% | 0.573 | 75% | 0.748 | S | S | * | * | trans | 71.3 | 129.9 | 146.2 | -53.3 | -174.3 | 0 | 0 | 0 | 114.1 | V1407 K1524 Q1525 | V1407-I1434 HydrophobicContact CB-CD1 3.72Å; V1407-I1434 HydrophobicContact CB-CG1 3.94Å; V1407-I1434 HydrophobicContact CG1-CD1 4.18Å; V1407-I1434 HydrophobicContact CG1-CG1 3.87Å; I1434-K1524 WeakPolarHBondContact CB-O 3.45Å; I1434-K1524 WeakPolarHBondContact CD1-O 3.32Å; I1434-Q1525 HydrophobicContact CG2-CG 4.37Å; I1434-Q1525 CarbonylContact O-C 3.6Å | ||
| 1435 | L | 27.3 | Very low | 29.9 | Very low | 146.2 Ų | 146.2 | 134.2 Ų | 134.2 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | -162.6 | 153.7 | 79.4 | -106.7 | 158.5 | 0 | 0 | 0 | 109.2 | Y1526 | L1435-Y1526 HydrophobicContact CB-CD2 3.89Å; L1435-Y1526 HydrophobicContact CB-CE2 4.19Å; L1435-Y1526 HydrophobicContact CD1-CE2 4.24Å | |||
| 1436 | S | 28.8 | Very low | 29.9 | Very low | 91.6 Ų | 91.6 | 136.2 Ų | 136.2 | 64% | 0.641 | 75% | 0.753 | S | S | * | * | -156.9 | 154.7 | 73.1 | -78.1 | 0 | 0 | 0 | 0 | 113.3 | Y1526 A1527 | S1436-Y1526 WeakPolarHBondContact OG-CD2 3.44Å; S1436-Y1526 WeakPolarHBondContact OG-CE2 3.38Å; S1436-A1527 WeakPolarHBondContact CB-O 3.45Å; S1436-A1527 WeakPolarHBondContact OG-CA 3.49Å; S1436-A1527 PolarHBondContact OG-N 2.88Å; S1436-A1527 PolarHBondContact OG-O 3.41Å | |||
| 1437 | S | 29.9 | Very low | 30.1 | Very low | 102.2 Ų | 102.2 | 135 Ų | 135 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | trans | -72.8 | 167.1 | 170.9 | -42.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1438 | P | 32.2 | Very low | 30.1 | Very low | 119.6 Ų | 119.6 | 135.7 Ų | 135.7 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -103.4 | 149.8 | 130.5 | 36.9 | -30.1 | 0 | 0 | 0 | 113.5 | ||||
| 1439 | S | 30.6 | Very low | 30.1 | Very low | 110.6 Ų | 110.6 | 132.9 Ų | 132.9 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -137.5 | 147.2 | 142.8 | -61.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1440 | D | 30.8 | Very low | 30.2 | Very low | 152.6 Ų | 152.6 | 134.6 Ų | 134.6 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -92.6 | 157.5 | 170.7 | -72.1 | -62.5 | 0 | 0 | 0 | 115.7 | ||||
| 1441 | T | 29 | Very low | 30.1 | Very low | 121.4 Ų | 121.4 | 130.7 Ų | 130.7 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | trans | -134.2 | 147.2 | 166.8 | 26.4 | 0 | 0 | 0 | 0 | 114.9 | T1443 | T1441-T1443 PolarHBondContact O-N 2.95Š| ||
| 1442 | I | 30 | Very low | 30.3 | Very low | 163.2 Ų | 163.2 | 130.8 Ų | 130.8 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | trans | -151 | 123 | 141 | -66.8 | 172.9 | 0 | 0 | 0 | 111.7 | ||||
| 1443 | T | 29.5 | Very low | 30.4 | Very low | 126.4 Ų | 126.4 | 130.4 Ų | 130.4 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | -117.4 | 150.1 | 167.2 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | T1441 | T1441-T1443 PolarHBondContact O-N 2.95Š| ||
| 1444 | S | 31.1 | Very low | 30.5 | Very low | 102.6 Ų | 102.6 | 130 Ų | 130 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | -164.2 | 158.1 | 115.4 | 60.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 1445 | K | 32.8 | Very low | 30.7 | Very low | 185.2 Ų | 185.2 | 131.4 Ų | 131.4 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | cis | 179.8 | 156.8 | 13.2 | -120.3 | 173.5 | -176.8 | 178.2 | 0 | 111 | ||||
| 1446 | L | 31.9 | Very low | 30.9 | Very low | 140.4 Ų | 140.4 | 129.8 Ų | 129.8 | 74% | 0.735 | 73% | 0.731 | S | S | * | * | trans | 80.9 | 135.1 | 159.2 | -66 | 172.6 | 0 | 0 | 0 | 115.9 | ||||
| 1447 | N | 31.7 | Very low | 30.9 | Very low | 128.2 Ų | 128.2 | 132.2 Ų | 132.2 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | cis | 156.2 | 152 | 30.7 | -128.4 | 16.7 | 0 | 0 | 0 | 114.5 | ||||
| 1448 | N | 32.3 | Very low | 30.9 | Very low | 120.8 Ų | 120.8 | 133.8 Ų | 133.8 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | 98.5 | 136 | 109 | -96.8 | 1.6 | 0 | 0 | 0 | 116.2 | |||||
| 1449 | N | 31 | Very low | 30.7 | Very low | 132.2 Ų | 132.2 | 133.3 Ų | 133.3 | 71% | 0.707 | 73% | 0.73 | S | S | * | * | trans | 78 | 146 | 134.9 | -62.1 | -24.8 | 0 | 0 | 0 | 116.6 | ||||
| 1450 | N | 32.1 | Very low | 30.7 | Very low | 146.8 Ų | 146.8 | 136.5 Ų | 136.5 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 121.6 | 150.4 | 137.8 | -70.9 | -23.8 | 0 | 0 | 0 | 114.9 | ||||
| 1451 | L | 28.9 | Very low | 30.7 | Very low | 136.8 Ų | 136.8 | 132.6 Ų | 132.6 | 72% | 0.716 | 73% | 0.728 | S | S | * | * | cis | -173.3 | 140.3 | 0.8 | -173.7 | 68.6 | 0 | 0 | 0 | 111.1 | ||||
| 1452 | M | 31.7 | Very low | 30.8 | Very low | 141.8 Ų | 141.8 | 131.9 Ų | 131.9 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 64.1 | 123.4 | 158.4 | -75.2 | 1.3 | 137.5 | 0 | 0 | 120 | ||||
| 1453 | D | 31.4 | Very low | 30.8 | Very low | 121.6 Ų | 121.6 | 132.4 Ų | 132.4 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | 102.3 | 135.1 | 100 | -77.8 | -4.7 | 0 | 0 | 0 | 119.3 | |||||
| 1454 | N | 31.5 | Very low | 30.9 | Very low | 128.8 Ų | 128.8 | 132.5 Ų | 132.5 | 69% | 0.689 | 72% | 0.723 | S | S | * | * | trans | 81.9 | 125.3 | 131.1 | -65.6 | -50 | 0 | 0 | 0 | 119.1 | ||||
| 1455 | N | 30.8 | Very low | 31 | Very low | 139.6 Ų | 139.6 | 134.2 Ų | 134.2 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | 157.4 | 144.9 | 102.5 | -76 | -44.3 | 0 | 0 | 0 | 114.3 | |||||
| 1456 | T | 30.3 | Very low | 30.9 | Very low | 113.6 Ų | 113.6 | 132.9 Ų | 132.9 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | 112.4 | 122.7 | 103.4 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | L1458 | T1456-L1458 HydrophobicContact CG2-CD1 4.06Š| |||
| 1457 | I | 28.9 | Very low | 30.9 | Very low | 142.8 Ų | 142.8 | 134.1 Ų | 134.1 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | 152.1 | 139.4 | 86 | -86.4 | 170.6 | 0 | 0 | 0 | 112.8 | |||||
| 1458 | L | 29.6 | Very low | 30.7 | Very low | 134.4 Ų | 134.4 | 132.4 Ų | 132.4 | 70% | 0.704 | 71% | 0.714 | S | S | * | * | trans | 69.5 | 131.6 | 152.7 | -71 | 137.4 | 0 | 0 | 0 | 117.3 | T1456 | T1456-L1458 HydrophobicContact CG2-CD1 4.06Š| ||
| 1459 | T | 28.4 | Very low | 30.6 | Very low | 108.8 Ų | 108.8 | 132.3 Ų | 132.3 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | cis | 143 | 143.3 | 12 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1460 | H | 30.6 | Very low | 30.5 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 83% | 0.829 | 72% | 0.719 | S | S | * | * | trans | 147.7 | 149 | 137.7 | -71.9 | -72.5 | 0 | 0 | 0 | 111.2 | ||||
| 1461 | G | 31 | Very low | 30.5 | Very low | 70.8 Ų | 70.8 | 132.7 Ų | 132.7 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | cis | 155.8 | 118.6 | 47 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1462 | S | 31 | Very low | 30.5 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -28.3 | 158.4 | 147.7 | -62.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1463 | E | 30.3 | Very low | 30.5 | Very low | 172.8 Ų | 172.8 | 133.3 Ų | 133.3 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | -163.8 | 153.5 | 66 | -87 | 163.1 | 168.5 | 0 | 0 | 113.9 | |||||
| 1464 | D | 32.3 | Very low | 30.4 | Very low | 129.4 Ų | 129.4 | 134.8 Ų | 134.8 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | 153.9 | 141.6 | 129.9 | -99.3 | -19.6 | 0 | 0 | 0 | 119 | |||||
| 1465 | Q | 32.1 | Very low | 30.2 | Very low | 137.4 Ų | 137.4 | 133.4 Ų | 133.4 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 132.1 | 137.7 | -71.9 | 174.5 | 72 | 0 | 0 | 120.6 | ||||
| 1466 | K | 30.6 | Very low | 30.1 | Very low | 158.4 Ų | 158.4 | 132.5 Ų | 132.5 | 69% | 0.689 | 73% | 0.73 | S | S | * | * | 114.7 | 141.9 | 87.4 | -87.2 | 169.5 | -178.7 | 159 | 0 | 116.3 | |||||
| 1467 | H | 32.2 | Very low | 29.9 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | 110.9 | 136.6 | 122 | -88.4 | -56.5 | 0 | 0 | 0 | 117.4 | |||||
| 1468 | S | 28.9 | Very low | 30 | Very low | 91.8 Ų | 91.8 | 135.1 Ų | 135.1 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | 62.2 | 138.4 | 135.5 | 55.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1469 | T | 30 | Very low | 30 | Very low | 118.6 Ų | 118.6 | 136.3 Ų | 136.3 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | 114.7 | 138.8 | 88.4 | 43.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1470 | I | 28.4 | Very low | 30.1 | Very low | 142.4 Ų | 142.4 | 138.4 Ų | 138.4 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 74.3 | 145.8 | 160.9 | -62.7 | 155.2 | 0 | 0 | 0 | 114.1 | K1472 | I1470-K1472 HydrophobicContact CG2-CD 4.33Å; I1470-K1472 HydrophobicContact CG2-CG 4.1Å | ||
| 1471 | I | 30.7 | Very low | 30.3 | Very low | 145.8 Ų | 145.8 | 135.7 Ų | 135.7 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | 169.1 | 131.1 | 110 | -68.6 | 169.7 | 0 | 0 | 0 | 113.6 | |||||
| 1472 | K | 30.2 | Very low | 30.5 | Very low | 191.2 Ų | 191.2 | 139.7 Ų | 139.7 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | trans | -70.8 | 144.5 | 132 | -73.1 | 170.3 | 179.4 | -179.3 | 0 | 115.4 | I1470 | I1470-K1472 HydrophobicContact CG2-CD 4.33Å; I1470-K1472 HydrophobicContact CG2-CG 4.1Å | ||
| 1473 | S | 30.9 | Very low | 30.5 | Very low | 98.4 Ų | 98.4 | 140.5 Ų | 140.5 | 69% | 0.688 | 72% | 0.724 | S | S | * | * | trans | -158.1 | 142 | 136.2 | 24.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1474 | N | 29 | Very low | 30.7 | Very low | 154.4 Ų | 154.4 | 139 Ų | 139 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | 85.1 | 153 | 126.3 | -72.1 | 2.5 | 0 | 0 | 0 | 115.6 | |||||
| 1475 | S | 28.3 | Very low | 30.6 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | 179.5 | 152.7 | 164.1 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1476 | T | 27.4 | Very low | 30.6 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | 44.7 | 148.7 | 122.5 | 36.7 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1477 | M | 27.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 79% | 0.793 | 73% | 0.728 | S | S | * | * | 111.3 | 143.6 | 122.7 | -118 | 165.1 | 69 | 0 | 0 | 115.1 | |||||
| 1478 | E | 29.8 | Very low | 30.5 | Very low | 150.8 Ų | 150.8 | 135.6 Ų | 135.6 | 71% | 0.705 | 73% | 0.727 | S | S | * | * | -154.6 | 154 | 110.1 | -83.7 | 177.2 | 153 | 0 | 0 | 111.8 | |||||
| 1479 | K | 30.5 | Very low | 30.6 | Very low | 159.8 Ų | 159.8 | 136.5 Ų | 136.5 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | 163.3 | 147.7 | 22.9 | -156.6 | -172.4 | 174.3 | 175.7 | 0 | 112 | ||||
| 1480 | M | 30.5 | Very low | 30.6 | Very low | 152.2 Ų | 152.2 | 136 Ų | 136 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | trans | 68.6 | 147.2 | 161.7 | -73.2 | 163.8 | -105.5 | 0 | 0 | 113.9 | ||||
| 1481 | D | 33.5 | Very low | 30.7 | Very low | 122.4 Ų | 122.4 | 134.2 Ų | 134.2 | 66% | 0.655 | 73% | 0.734 | S | S | * | * | cis | -163.4 | 155.1 | 8.1 | -98.8 | -24.7 | 0 | 0 | 0 | 111.5 | ||||
| 1482 | H | 35.1 | Very low | 30.7 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 58.9 | 130.6 | 146.3 | -69.3 | -39.1 | 0 | 0 | 0 | 122.7 | ||||
| 1483 | D | 32.8 | Very low | 30.8 | Very low | 125.4 Ų | 125.4 | 131.1 Ų | 131.1 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | 118 | 141.8 | 72.7 | -75 | -20.8 | 0 | 0 | 0 | 115.8 | |||||
| 1484 | D | 34.6 | Very low | 30.6 | Very low | 141.6 Ų | 141.6 | 134.8 Ų | 134.8 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | 82 | 142.7 | 115.7 | -96 | -19 | 0 | 0 | 0 | 117.8 | |||||
| 1485 | N | 29.6 | Very low | 30.6 | Very low | 137.8 Ų | 137.8 | 130.8 Ų | 130.8 | 74% | 0.737 | 73% | 0.729 | S | S | * | * | trans | -134.2 | 140.5 | 146.6 | -90.5 | -71.9 | 0 | 0 | 0 | 114.8 | ||||
| 1486 | S | 30.6 | Very low | 30.6 | Very low | 99.8 Ų | 99.8 | 133 Ų | 133 | 70% | 0.698 | 73% | 0.733 | S | S | * | * | 151.1 | 142.2 | 124 | 52 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1487 | I | 32.7 | Very low | 30.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | 81.7 | 106.7 | 114.1 | -75 | 164.5 | 0 | 0 | 0 | 114.8 | |||||
| 1488 | N | 28.5 | Very low | 30.7 | Very low | 141.2 Ų | 141.2 | 133.7 Ų | 133.7 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | 45.9 | 132.8 | 124.8 | -55.3 | -12.1 | 0 | 0 | 0 | 118.2 | |||||
| 1489 | S | 31.2 | Very low | 30.7 | Very low | 109.8 Ų | 109.8 | 133.2 Ų | 133.2 | 77% | 0.768 | 73% | 0.733 | S | S | * | * | cis | -172.4 | 154.1 | 42.5 | -59.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1490 | S | 31.2 | Very low | 30.7 | Very low | 109.8 Ų | 109.8 | 132.4 Ų | 132.4 | 77% | 0.768 | 74% | 0.735 | S | S | * | * | trans | -108.5 | 159.5 | 153.2 | 52.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1491 | S | 29.9 | Very low | 30.6 | Very low | 103.2 Ų | 103.2 | 130.9 Ų | 130.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | cis | 149.6 | 158.2 | 44.2 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1492 | V | 30.1 | Very low | 30.6 | Very low | 116.8 Ų | 116.8 | 130.4 Ų | 130.4 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | cis | 170.7 | 152.4 | 32 | 157.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1493 | H | 32.3 | Very low | 30.2 | Very low | 156.2 Ų | 156.2 | 130.2 Ų | 130.2 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | -89.4 | 147.7 | 167.4 | -85.7 | -37.9 | 0 | 0 | 0 | 112.5 | ||||
| 1494 | Q | 27 | Very low | 30.1 | Very low | 174.6 Ų | 174.6 | 128.8 Ų | 128.8 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | cis | 97.2 | 129.9 | 23.4 | -107.5 | 174.6 | -4.3 | 0 | 0 | 113.4 | ||||
| 1495 | G | 29.2 | Very low | 29.8 | Very low | 71.8 Ų | 71.8 | 128.3 Ų | 128.3 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | 164.7 | 91.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1496 | N | 27.3 | Very low | 29.7 | Very low | 143.6 Ų | 143.6 | 128.3 Ų | 128.3 | 77% | 0.768 | 74% | 0.743 | S | S | * | * | trans | -46.1 | 148.8 | 153.4 | -66.4 | 5 | 0 | 0 | 0 | 113.1 | ||||
| 1497 | E | 30 | Very low | 29.6 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | -175.1 | 161.8 | 88.4 | -94.5 | 166.8 | 160.3 | 0 | 0 | 113 | |||||
| 1498 | N | 28.4 | Very low | 29.5 | Very low | 128.4 Ų | 128.4 | 127.7 Ų | 127.7 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 4.2 | 134.3 | 157.2 | -49.9 | -44.6 | 0 | 0 | 0 | 115.2 | ||||
| 1499 | D | 30.4 | Very low | 29.6 | Very low | 140.8 Ų | 140.8 | 127.5 Ų | 127.5 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | 174.8 | 136.1 | 98.7 | -95.1 | -18.3 | 0 | 0 | 0 | 114.6 | |||||
| 1500 | I | 29.1 | Very low | 29.6 | Very low | 143.4 Ų | 143.4 | 127.3 Ų | 127.3 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | 66.3 | 120.3 | 129.6 | -60.6 | 170.4 | 0 | 0 | 0 | 116.1 | |||||
| 1501 | C | 29.8 | Very low | 29.7 | Very low | 119.6 Ų | 119.6 | 126.6 Ų | 126.6 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | -79.2 | 155.6 | 163.2 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1502 | P | 32.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -129.2 | 148.5 | 143 | 36.8 | -25.3 | 0 | 0 | 0 | 114 | ||||
| 1503 | N | 26.4 | Very low | 29.9 | Very low | 148.4 Ų | 148.4 | 128.4 Ų | 128.4 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | -45.8 | 128.2 | 154.8 | -110.1 | -6.3 | 0 | 0 | 0 | 113.4 | ||||
| 1504 | S | 30.8 | Very low | 29.9 | Very low | 96.8 Ų | 96.8 | 127.2 Ų | 127.2 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | 179 | 126 | 123.8 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1505 | N | 27.8 | Very low | 30.1 | Very low | 132.2 Ų | 132.2 | 124.6 Ų | 124.6 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | 60.2 | 141.7 | 118.7 | -65.8 | -12.4 | 0 | 0 | 0 | 115.9 | |||||
| 1506 | N | 28.2 | Very low | 30.2 | Very low | 137.2 Ų | 137.2 | 127.5 Ų | 127.5 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 84.9 | 133.6 | 142.4 | -66 | -5.9 | 0 | 0 | 0 | 117.2 | ||||
| 1507 | T | 29.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 72% | 0.72 | S | S | * | * | 151.5 | 144.3 | 78.7 | 34.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1508 | T | 30.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | 68.1 | 130 | 122.4 | 48.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1509 | D | 29.7 | Very low | 30.4 | Very low | 137.2 Ų | 137.2 | 127.1 Ų | 127.1 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | 105.1 | 131.4 | 115.7 | -75.9 | -31.1 | 0 | 0 | 0 | 116.2 | |||||
| 1510 | S | 31.3 | Very low | 30.4 | Very low | 105.2 Ų | 105.2 | 124.4 Ų | 124.4 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | 83.3 | 150.9 | 106.7 | 83.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1511 | S | 33.1 | Very low | 30.5 | Very low | 94.6 Ų | 94.6 | 124.7 Ų | 124.7 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | cis | -151.8 | 157 | 5.4 | 40.9 | 0 | 0 | 0 | 0 | 111.1 | V1513 | S1511-V1513 PolarHBondContact O-N 3.13Š| ||
| 1512 | D | 32.6 | Very low | 30.5 | Very low | 144.8 Ų | 144.8 | 125 Ų | 125 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | -174.1 | 138.9 | 126.9 | -76.4 | -25 | 0 | 0 | 0 | 114.3 | |||||
| 1513 | V | 32.8 | Very low | 30.5 | Very low | 114.6 Ų | 114.6 | 124.9 Ų | 124.9 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | 103.8 | 143.9 | 64.7 | 159.9 | 0 | 0 | 0 | 0 | 113.3 | S1511 | S1511-V1513 PolarHBondContact O-N 3.13Š| |||
| 1514 | D | 32.5 | Very low | 30.8 | Very low | 129.6 Ų | 129.6 | 124.9 Ų | 124.9 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | trans | 71.2 | 124.1 | 159.2 | -74.6 | -4.5 | 0 | 0 | 0 | 121.8 | ||||
| 1515 | N | 29.9 | Very low | 30.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | 126.2 | 139.4 | 69.1 | -99 | -37.4 | 0 | 0 | 0 | 118 | |||||
| 1516 | I | 31.5 | Very low | 30.8 | Very low | 133.2 Ų | 133.2 | 130 Ų | 130 | 68% | 0.683 | 69% | 0.694 | S | S | * | * | trans | 74.7 | 112.4 | 134.1 | -66.8 | 165.4 | 0 | 0 | 0 | 117.9 | ||||
| 1517 | T | 30.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | 69.1 | 135.7 | 126.1 | 44.7 | 0 | 0 | 0 | 0 | 119 | |||||
| 1518 | K | 30.3 | Very low | 31 | Very low | 175.4 Ų | 175.4 | 127.7 Ų | 127.7 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | 143.7 | 137.9 | 90.2 | -96.9 | 171.2 | 179.9 | 177.9 | 0 | 113.9 | |||||
| 1519 | L | 29.9 | Very low | 30.9 | Very low | 143.2 Ų | 143.2 | 126.6 Ų | 126.6 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | trans | 80.2 | 135.7 | 131.8 | -63.6 | 165.6 | 0 | 0 | 0 | 114.7 | ||||
| 1520 | S | 30.4 | Very low | 30.8 | Very low | 84.2 Ų | 84.2 | 127 Ų | 127 | 59% | 0.589 | 70% | 0.7 | S | S | * | * | cis | 105.3 | 144.9 | 37.9 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1521 | E | 31.5 | Very low | 30.7 | Very low | 149.6 Ų | 149.6 | 129.1 Ų | 129.1 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | 159.7 | 144.8 | 54.7 | -104.9 | 164.8 | 152.2 | 0 | 0 | 115 | |||||
| 1522 | N | 29.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | trans | 66.7 | 137.2 | 137.9 | -56.7 | -27.1 | 0 | 0 | 0 | 118.9 | ||||
| 1523 | D | 33.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | 153.6 | 131 | 92.8 | -102.1 | -5.8 | 0 | 0 | 0 | 116.7 | |||||
| 1524 | K | 32.1 | Very low | 30 | Very low | 148.2 Ų | 148.2 | 128.7 Ų | 128.7 | 64% | 0.644 | 71% | 0.707 | S | S | * | * | 75.6 | 139.7 | 111.1 | -76.2 | 175.6 | -167.1 | 98.9 | 0 | 116.5 | I1434 | I1434-K1524 WeakPolarHBondContact CB-O 3.45Å; I1434-K1524 WeakPolarHBondContact CD1-O 3.32Å | |||
| 1525 | Q | 29 | Very low | 29.9 | Very low | 142.2 Ų | 142.2 | 128.8 Ų | 128.8 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | 100.2 | 143.7 | 98 | -81.7 | 178.8 | -44.8 | 0 | 0 | 117.2 | I1434 | I1434-Q1525 HydrophobicContact CG2-CG 4.37Å; I1434-Q1525 CarbonylContact O-C 3.6Å | |||
| 1526 | Y | 30.2 | Very low | 29.7 | Very low | 195.2 Ų | 195.2 | 129.7 Ų | 129.7 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | 109.5 | 123.6 | 137.7 | -85.8 | -98.7 | 0 | 0 | 0 | 117.5 | L1435 S1436 | L1435-Y1526 HydrophobicContact CB-CD2 3.89Å; L1435-Y1526 HydrophobicContact CB-CE2 4.19Å; L1435-Y1526 HydrophobicContact CD1-CE2 4.24Å; S1436-Y1526 WeakPolarHBondContact OG-CD2 3.44Å; S1436-Y1526 WeakPolarHBondContact OG-CE2 3.38Å | ||
| 1527 | A | 27.8 | Very low | 29.6 | Very low | 84.2 Ų | 84.2 | 130.6 Ų | 130.6 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | trans | -72.8 | 160.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1436 | S1436-A1527 WeakPolarHBondContact CB-O 3.45Å; S1436-A1527 WeakPolarHBondContact OG-CA 3.49Å; S1436-A1527 PolarHBondContact OG-N 2.88Å; S1436-A1527 PolarHBondContact OG-O 3.41Å | ||
| 1528 | P | 33.4 | Very low | 29.5 | Very low | 116.4 Ų | 116.4 | 132.8 Ų | 132.8 | 76% | 0.756 | 73% | 0.725 | S | S | * | * | -132.4 | 159.4 | 73.9 | 36.2 | -20.3 | 0 | 0 | 0 | 114.2 | |||||
| 1529 | A | 27.9 | Very low | 29.3 | Very low | 90.8 Ų | 90.8 | 129.8 Ų | 129.8 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | 57.3 | 136.2 | 116.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1530 | N | 28.8 | Very low | 29.1 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | 160 | 155.3 | 103.8 | -135.5 | -1 | 0 | 0 | 0 | 116.9 | |||||
| 1531 | N | 27.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -63.5 | 142.2 | 167.5 | -90.2 | -32.9 | 0 | 0 | 0 | 116.6 | ||||
| 1532 | G | 29.4 | Very low | 28.9 | Very low | 72.8 Ų | 72.8 | 131.6 Ų | 131.6 | 75% | 0.751 | 73% | 0.732 | S | S | * | * | trans | 145.7 | 103.5 | 158 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1533 | N | 28.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -13.1 | 145.8 | 169.6 | -93 | -5.3 | 0 | 0 | 0 | 117.8 | ||||
| 1534 | N | 27.8 | Very low | 29.1 | Very low | 127.4 Ų | 127.4 | 133.5 Ų | 133.5 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | trans | 87.2 | 124.3 | 138.3 | -63.3 | -13 | 0 | 0 | 0 | 122 | ||||
| 1535 | N | 28.6 | Very low | 28.9 | Very low | 130.4 Ų | 130.4 | 131.3 Ų | 131.3 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | trans | 83.3 | 110.1 | 135.8 | -60.2 | -5.8 | 0 | 0 | 0 | 121.5 | ||||
| 1536 | N | 26.8 | Very low | 29.1 | Very low | 139.4 Ų | 139.4 | 132.1 Ų | 132.1 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | 78.4 | 136.5 | 118.7 | -63.3 | -11.3 | 0 | 0 | 0 | 119.8 | |||||
| 1537 | N | 28.8 | Very low | 29.3 | Very low | 151.4 Ų | 151.4 | 126.9 Ų | 126.9 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 136.5 | 133.4 | 155.6 | -64 | -27.1 | 0 | 0 | 0 | 112.3 | ||||
| 1538 | L | 27.2 | Very low | 29.7 | Very low | 159.4 Ų | 159.4 | 131.2 Ų | 131.2 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | cis | 136.7 | 132.3 | 31.1 | -161.4 | 74.2 | 0 | 0 | 0 | 111.2 | ||||
| 1539 | C | 27.6 | Very low | 29.8 | Very low | 111.4 Ų | 111.4 | 132.2 Ų | 132.2 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 97.6 | 120.9 | 169.4 | -74.6 | 0 | 0 | 0 | 0 | 112.7 | F1541 | C1539-F1541 HydrophobicContact CB-CD2 4.19Å; C1539-F1541 HydrophobicContact CB-CE2 4.04Å | ||
| 1540 | S | 25.6 | Very low | 30.2 | Very low | 88.4 Ų | 88.4 | 133.3 Ų | 133.3 | 62% | 0.618 | 75% | 0.752 | S | S | * | * | cis | 77.9 | 126.3 | 44.5 | -154 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1541 | F | 29.2 | Very low | 30.5 | Very low | 187.6 Ų | 187.6 | 132.7 Ų | 132.7 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | -153.8 | 137.2 | 119.5 | -71.4 | -79.8 | 0 | 0 | 0 | 112.7 | C1539 | C1539-F1541 HydrophobicContact CB-CD2 4.19Å; C1539-F1541 HydrophobicContact CB-CE2 4.04Å | |||
| 1542 | D | 27.6 | Very low | 30.8 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -114.3 | 172.8 | -172.2 | -85.9 | -40.9 | 0 | 0 | 0 | 110.8 | L1544 | D1542-L1544 VanDerWaalsContact C-N 3.26Å; D1542-L1544 PolarHBondContact O-N 3.38Å | ||
| 1543 | P | 35.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -109.5 | 165 | -159.9 | 35.3 | -23.7 | 0 | 0 | 0 | 113.2 | ||||
| 1544 | L | 31.5 | Very low | 31.2 | Very low | 164.4 Ų | 164.4 | 132.7 Ų | 132.7 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | 80 | 133.4 | 159.8 | -62.8 | 173.8 | 0 | 0 | 0 | 114.7 | D1542 | D1542-L1544 VanDerWaalsContact C-N 3.26Å; D1542-L1544 PolarHBondContact O-N 3.38Å | ||
| 1545 | S | 28.5 | Very low | 31.4 | Very low | 102.6 Ų | 102.6 | 133.9 Ų | 133.9 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | -179.2 | 141.5 | 143.6 | -130.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1546 | I | 33.4 | Very low | 31.6 | Very low | 158.6 Ų | 158.6 | 132.3 Ų | 132.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | -174.8 | 116.7 | 117.6 | -100.2 | 160 | 0 | 0 | 0 | 107.1 | |||||
| 1547 | S | 33.7 | Very low | 31.8 | Very low | 86.6 Ų | 86.6 | 134.3 Ų | 134.3 | 61% | 0.606 | 75% | 0.75 | S | S | * | * | 75.6 | 142.2 | 118.9 | 89.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1548 | E | 35.7 | Very low | 31.9 | Very low | 173.4 Ų | 173.4 | 133.5 Ų | 133.5 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | 154.2 | 129.4 | 78.5 | -89.9 | 172.8 | 147.8 | 0 | 0 | 110.6 | |||||
| 1549 | D | 35.8 | Very low | 32.1 | Very low | 137.4 Ų | 137.4 | 132.2 Ų | 132.2 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | 164.6 | 162.5 | 67.6 | -88.4 | -13.4 | 0 | 0 | 0 | 112.3 | |||||
| 1550 | T | 36.7 | Very low | 32.2 | Very low | 114.2 Ų | 114.2 | 133.6 Ų | 133.6 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 109.3 | 152.7 | 142.6 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1551 | D | 35.7 | Very low | 32.4 | Very low | 133.4 Ų | 133.4 | 136.6 Ų | 136.6 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | 154.2 | 155.7 | 32.6 | -103.7 | -36.5 | 0 | 0 | 0 | 115.2 | ||||
| 1552 | T | 34.2 | Very low | 32.4 | Very low | 111.4 Ų | 111.4 | 135.2 Ų | 135.2 | 68% | 0.683 | 74% | 0.743 | S | S | * | * | trans | 77.5 | 124.7 | 151.6 | 54 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1553 | L | 31.4 | Very low | 32.4 | Very low | 154.6 Ų | 154.6 | 133.9 Ų | 133.9 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | 83.7 | 139.2 | 100.5 | -69.5 | 166.5 | 0 | 0 | 0 | 118 | |||||
| 1554 | S | 33.2 | Very low | 32.1 | Very low | 102.2 Ų | 102.2 | 133 Ų | 133 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | 57.7 | 137.2 | 142.2 | -34.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1555 | D | 32.1 | Very low | 32 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | cis | -157.5 | 155.3 | 34.4 | -114 | -41.2 | 0 | 0 | 0 | 113.8 | ||||
| 1556 | S | 32.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -79.1 | 138.7 | 162.5 | 67.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1557 | K | 31.2 | Very low | 31.9 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | 107.5 | 116.2 | 118.3 | -83.5 | 176.9 | 179.3 | 175.4 | 0 | 112.4 | |||||
| 1558 | L | 32.4 | Very low | 31.8 | Very low | 135.8 Ų | 135.8 | 138.2 Ų | 138.2 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 172.1 | 120.1 | 123.9 | -127.1 | 84.2 | 0 | 0 | 0 | 110.8 | N1560 | L1558-N1560 VanDerWaalsContact C-N 3.35Å; L1558-N1560 PolarHBondContact O-N 3.47Å | |||
| 1559 | D | 30.1 | Very low | 31.5 | Very low | 130.8 Ų | 130.8 | 135.7 Ų | 135.7 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -144.3 | 135.9 | 141 | -75.8 | -51.8 | 0 | 0 | 0 | 112.8 | ||||
| 1560 | N | 30.4 | Very low | 31.3 | Very low | 140.6 Ų | 140.6 | 137.9 Ų | 137.9 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | -124.1 | 115.2 | 155.1 | -69.9 | -71.2 | 0 | 0 | 0 | 114.5 | L1558 | L1558-N1560 VanDerWaalsContact C-N 3.35Å; L1558-N1560 PolarHBondContact O-N 3.47Å | ||
| 1561 | L | 30.3 | Very low | 31 | Very low | 151.2 Ų | 151.2 | 141.3 Ų | 141.3 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -174.8 | 121.7 | 133.1 | -88.9 | 169.9 | 0 | 0 | 0 | 113.5 | C1563 | L1561-C1563 PolarHBondContact O-N 2.82Š| ||
| 1562 | H | 28.6 | Very low | 30.8 | Very low | 159.8 Ų | 159.8 | 143.1 Ų | 143.1 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | trans | -94.1 | 135.3 | 153.2 | -118.2 | -93.5 | 0 | 0 | 0 | 112.3 | T1564 | H1562-T1564 HydrophobicContact CB-CG2 4.27Å; H1562-T1564 PolarHBondContact ND1-OG1 2.87Å | ||
| 1563 | C | 28.2 | Very low | 30.7 | Very low | 111.2 Ų | 111.2 | 144.2 Ų | 144.2 | 75% | 0.751 | 74% | 0.737 | S | S | * | * | trans | 85.2 | 106.4 | 135.3 | -93.7 | 0 | 0 | 0 | 0 | 115.5 | L1561 T1565 | L1561-C1563 PolarHBondContact O-N 2.82Å; C1563-T1565 PolarHBondContact O-N 3.03Å | ||
| 1564 | T | 29.4 | Very low | 30.6 | Very low | 94.6 Ų | 94.6 | 141.1 Ų | 141.1 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | 144.9 | 124 | 82.6 | 46.5 | 0 | 0 | 0 | 0 | 114.9 | H1562 L1566 | H1562-T1564 HydrophobicContact CB-CG2 4.27Å; H1562-T1564 PolarHBondContact ND1-OG1 2.87Å; T1564-L1566 VanDerWaalsContact C-N 3.28Å; T1564-L1566 PolarHBondContact O-N 3.45Å | |||
| 1565 | T | 29.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -132.3 | 102.4 | 142.6 | 36.4 | 0 | 0 | 0 | 0 | 113.5 | C1563 | C1563-T1565 PolarHBondContact O-N 3.03Š| ||
| 1566 | L | 29.8 | Very low | 30.3 | Very low | 149.2 Ų | 149.2 | 147 Ų | 147 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -121.8 | 136.1 | 157.4 | -77.8 | 176.5 | 0 | 0 | 0 | 111.9 | T1564 D1568 | T1564-L1566 VanDerWaalsContact C-N 3.28Å; T1564-L1566 PolarHBondContact O-N 3.45Å; L1566-D1568 HydrophobicContact CB-CB 3.99Å; L1566-D1568 PolarHBondContact O-N 3.05Å | ||
| 1567 | Y | 30.2 | Very low | 30.2 | Very low | 216.2 Ų | 216.2 | 149.8 Ų | 149.8 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -130.6 | 120.3 | 161.7 | -101.6 | -86.4 | 0 | 0 | 0 | 114 | V1569 | Y1567-V1569 PolarHBondContact O-N 3.22Š| ||
| 1568 | D | 31.3 | Very low | 30.1 | Very low | 125.6 Ų | 125.6 | 147.6 Ų | 147.6 | 67% | 0.672 | 73% | 0.734 | S | S | * | * | trans | -116.5 | 123.7 | 158.9 | -139.6 | -19.9 | 0 | 0 | 0 | 116.1 | L1566 R1570 | L1566-D1568 HydrophobicContact CB-CB 3.99Å; L1566-D1568 PolarHBondContact O-N 3.05Å; D1568-R1570 VanDerWaalsContact C-N 3.27Å; D1568-R1570 PolarHBondContact O-N 3.26Å; D1568-R1570 VanDerWaalsContact O-N 3.09Å; D1568-R1570 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 1569 | V | 29.2 | Very low | 30 | Very low | 122.4 Ų | 122.4 | 146.5 Ų | 146.5 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -121.7 | 90.8 | 158.4 | -178.3 | 0 | 0 | 0 | 0 | 113.8 | Y1567 | Y1567-V1569 PolarHBondContact O-N 3.22Š| ||
| 1570 | R | 31.1 | Very low | 30.1 | Very low | 182.2 Ų | 182.2 | 146.8 Ų | 146.8 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | trans | -150.7 | 110.1 | 162.7 | -90.7 | 177.9 | -174.3 | -154.1 | 1.9 | 113.7 | F1231 D1568 | F1231-R1570 HydrophobicContact CD1-CG 4.34Å; F1231-R1570 HydrophobicContact CE1-CG 4.15Å; F1231-R1570 PolarHBondContact O-NH1 2.75Å; F1231-R1570 PolarHBondContact O-NH2 2.81Å; D1568-R1570 VanDerWaalsContact C-N 3.27Å; D1568-R1570 PolarHBondContact O-N 3.26Å; D1568-R1570 VanDerWaalsContact O-N 3.09Å; D1568-R1570 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 1571 | R | 31.2 | Very low | 30.1 | Very low | 186.8 Ų | 186.8 | 146.9 Ų | 146.9 | 71% | 0.705 | 73% | 0.734 | S | S | * | * | trans | 108.9 | 120.8 | 132.5 | -114.1 | -176.1 | -86 | -148.6 | -2.1 | 113.9 | F1231 | F1231-R1571 HydrophobicContact CE1-CG 4.13Å; F1231-R1571 HydrophobicContact CE2-CG 4.32Å; F1231-R1571 HydrophobicContact CZ-CG 3.66Å | ||
| 1572 | K | 30.6 | Very low | 30.3 | Very low | 170.2 Ų | 170.2 | 145.6 Ų | 145.6 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | 147.7 | 136.4 | 101.5 | -103.1 | -175.8 | 174.6 | 179.1 | 0 | 113.2 | S1574 | K1572-S1574 VanDerWaalsContact C-N 3.29Å; K1572-S1574 PolarHBondContact O-N 3.48Å | |||
| 1573 | I | 32 | Very low | 30.5 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | -167.3 | 140.1 | 109 | -88.1 | 156.4 | 0 | 0 | 0 | 113.3 | A1219 | A1219-I1573 HydrophobicContact CB-CD1 3.8Š| |||
| 1574 | S | 30.4 | Very low | 30.8 | Very low | 90.6 Ų | 90.6 | 144.7 Ų | 144.7 | 63% | 0.634 | 74% | 0.735 | S | S | * | * | trans | -153 | 148.2 | 173.6 | -65 | 0 | 0 | 0 | 0 | 111.7 | K1572 H1576 | K1572-S1574 VanDerWaalsContact C-N 3.29Å; K1572-S1574 PolarHBondContact O-N 3.48Å; S1574-H1576 PolarHBondContact O-N 2.94Å | ||
| 1575 | R | 28.7 | Very low | 31 | Very low | 217.6 Ų | 217.6 | 145.3 Ų | 145.3 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | 160.2 | 136.1 | 123.7 | -72.4 | 175.2 | -105.6 | 147.8 | 1 | 113.3 | |||||
| 1576 | H | 30 | Very low | 31.6 | Very low | 163.2 Ų | 163.2 | 143.7 Ų | 143.7 | 76% | 0.756 | 74% | 0.743 | S | S | * | * | trans | 45.7 | 130.9 | 139.3 | -82.7 | -75 | 0 | 0 | 0 | 116 | S1574 | S1574-H1576 PolarHBondContact O-N 2.94Š| ||
| 1577 | L | 31 | Very low | 32.2 | Very low | 153.4 Ų | 153.4 | 142 Ų | 142 | 80% | 0.803 | 74% | 0.741 | S | S | * | * | 168.4 | 149.6 | 121.7 | -88.6 | 166.3 | 0 | 0 | 0 | 112.8 | |||||
| 1578 | N | 27.7 | Very low | 32.4 | Very low | 134.6 Ų | 134.6 | 139.9 Ų | 139.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 56.9 | 146.6 | 160.4 | -54.9 | -3.8 | 0 | 0 | 0 | 113.4 | ||||
| 1579 | T | 30.4 | Very low | 32.7 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -174.8 | 150.5 | 39.6 | 17.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1580 | I | 33.2 | Very low | 33 | Very low | 137.2 Ų | 137.2 | 139.6 Ų | 139.6 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | trans | 67.9 | 110.8 | 144.8 | -62.7 | 160.1 | 0 | 0 | 0 | 117.9 | T1582 | I1580-T1582 HydrophobicContact CG2-CG2 4.32Š| ||
| 1581 | D | 30.1 | Very low | 33.2 | Very low | 141.4 Ų | 141.4 | 136 Ų | 136 | 76% | 0.756 | 75% | 0.745 | S | S | * | * | 81.5 | 141.4 | 95.6 | -72.4 | -33 | 0 | 0 | 0 | 115.9 | |||||
| 1582 | T | 34.6 | Very low | 33.5 | Very low | 123.8 Ų | 123.8 | 131.6 Ų | 131.6 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -177.6 | 121.2 | 148.5 | 30 | 0 | 0 | 0 | 0 | 113.6 | I1580 | I1580-T1582 HydrophobicContact CG2-CG2 4.32Š| ||
| 1583 | T | 32.4 | Very low | 33.8 | Very low | 125.6 Ų | 125.6 | 130 Ų | 130 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | 59.6 | 120.9 | 119.5 | 65.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1584 | T | 33.5 | Very low | 33.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 133.2 | 127.9 | 134.2 | -62 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1585 | S | 34.8 | Very low | 34 | Very low | 106.6 Ų | 106.6 | 131.3 Ų | 131.3 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | cis | 150.9 | 138.3 | 18.8 | 27.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1586 | A | 41.3 | Very low | 34.5 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | trans | -64.7 | 160.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1587 | P | 42 | Very low | 34.5 | Very low | 111.8 Ų | 111.8 | 123.5 Ų | 123.5 | 73% | 0.726 | 75% | 0.751 | S | S | * | * | trans | -140 | 177.5 | 145.8 | 38 | -18.1 | 0 | 0 | 0 | 115.2 | ||||
| 1588 | E | 34.8 | Very low | 34.5 | Very low | 172.8 Ų | 172.8 | 122.8 Ų | 122.8 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 66.3 | 142.8 | 138.6 | -71.7 | -177.8 | 158.4 | 0 | 0 | 118 | ||||
| 1589 | T | 36.9 | Very low | 34.7 | Very low | 118.4 Ų | 118.4 | 121.9 Ų | 121.9 | 73% | 0.726 | 75% | 0.752 | S | S | * | * | 145.6 | 153.6 | 102.4 | 44.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 1590 | T | 35.7 | Very low | 34.7 | Very low | 122.4 Ų | 122.4 | 127.5 Ų | 127.5 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | trans | 67.9 | 143.5 | 138.7 | 58.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1591 | S | 36.2 | Very low | 34.6 | Very low | 106.6 Ų | 106.6 | 132 Ų | 132 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | 87.5 | 143 | 126.3 | 65 | 0 | 0 | 0 | 0 | 117 | |||||
| 1592 | S | 37.6 | Very low | 34.6 | Very low | 96.2 Ų | 96.2 | 132.9 Ų | 132.9 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | cis | 179.8 | 162.9 | -14.2 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1593 | D | 35.4 | Very low | 34.5 | Very low | 135.6 Ų | 135.6 | 133.9 Ų | 133.9 | 73% | 0.725 | 77% | 0.772 | S | S | * | * | trans | 67.4 | 117.7 | 154.5 | -58.1 | -42.1 | 0 | 0 | 0 | 121.7 | R1600 | D1593-R1600 IonicContact OD1-CZ 3.3Å; D1593-R1600 IonicContact OD1-NE 3.2Å; D1593-R1600 PolarHBondContact OD1-NE 3.4Å; D1593-R1600 IonicContact OD1-NH2 2.71Å; D1593-R1600 IonicContact OD2-CZ 2.92Å; D1593-R1600 IonicContact OD2-NE 3.96Å; D1593-R1600 PolarHBondContact OD2-NE 3.42Å; D1593-R1600 IonicContact OD2-NH2 3.92Å; D1593-R1600 PolarHBondContact OD2-NH2 3.31Å | ||
| 1594 | N | 35 | Very low | 34.4 | Very low | 154.4 Ų | 154.4 | 135.2 Ų | 135.2 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | -176.5 | 150.6 | 108 | -130.7 | -24.3 | 0 | 0 | 0 | 114.4 | |||||
| 1595 | S | 33.1 | Very low | 34.3 | Very low | 97.4 Ų | 97.4 | 136.9 Ų | 136.9 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | -160.4 | 163 | 177.5 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1596 | P | 38 | Very low | 33.9 | Very low | 125.6 Ų | 125.6 | 135.2 Ų | 135.2 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | cis | -129.1 | 137.9 | -23.6 | 36.2 | -22.3 | 0 | 0 | 0 | 113.2 | ||||
| 1597 | A | 31.5 | Very low | 33.4 | Very low | 91.8 Ų | 91.8 | 135.3 Ų | 135.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -123.2 | 135.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1599 | A1597-T1599 PolarHBondContact O-OG1 3.19Å; A1597-T1599 VanDerWaalsContact O-OG1 3.12Å | ||
| 1598 | V | 31.1 | Very low | 32.6 | Very low | 138.8 Ų | 138.8 | 139.2 Ų | 139.2 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 113.7 | 167.2 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1599 | T | 30.8 | Very low | 32.4 | Very low | 115.4 Ų | 115.4 | 136.2 Ų | 136.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | 95.7 | 129.2 | 133.5 | -53.6 | 0 | 0 | 0 | 0 | 115.1 | A1597 | A1597-T1599 PolarHBondContact O-OG1 3.19Å; A1597-T1599 VanDerWaalsContact O-OG1 3.12Å | ||
| 1600 | R | 31.2 | Very low | 32.1 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | 176.2 | 119.6 | 147.8 | -71.4 | 179 | 173.4 | 168.7 | -0.4 | 114.5 | D1593 | D1593-R1600 IonicContact OD1-CZ 3.3Å; D1593-R1600 IonicContact OD1-NE 3.2Å; D1593-R1600 PolarHBondContact OD1-NE 3.4Å; D1593-R1600 IonicContact OD1-NH2 2.71Å; D1593-R1600 IonicContact OD2-CZ 2.92Å; D1593-R1600 IonicContact OD2-NE 3.96Å; D1593-R1600 PolarHBondContact OD2-NE 3.42Å; D1593-R1600 IonicContact OD2-NH2 3.92Å; D1593-R1600 PolarHBondContact OD2-NH2 3.31Å | ||
| 1601 | R | 31 | Very low | 31.7 | Very low | 231.6 Ų | 231.6 | 137.7 Ų | 137.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -119 | 148.3 | 147.4 | -109.7 | 170.8 | -175.6 | 167 | -0.5 | 112.1 | ||||
| 1602 | L | 30.2 | Very low | 31.4 | Very low | 159.8 Ų | 159.8 | 136.7 Ų | 136.7 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | -123.6 | 136.8 | 159.7 | -99.8 | 161.4 | 0 | 0 | 0 | 109.1 | ||||
| 1603 | I | 31.6 | Very low | 30.9 | Very low | 144.2 Ų | 144.2 | 139.6 Ų | 139.6 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -152.3 | 130.2 | 152 | -55.7 | 178.6 | 0 | 0 | 0 | 110.4 | I1605 | I1603-I1605 HydrophobicContact CG2-CG1 4.42Š| ||
| 1604 | L | 29.8 | Very low | 30.6 | Very low | 153.2 Ų | 153.2 | 138.6 Ų | 138.6 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -128.2 | 149.3 | 164.6 | -77.7 | 137.6 | 0 | 0 | 0 | 110.9 | ||||
| 1605 | I | 31.4 | Very low | 30.4 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 174.4 | 138.4 | 158.8 | -66 | 166.8 | 0 | 0 | 0 | 111.3 | I1603 | I1603-I1605 HydrophobicContact CG2-CG1 4.42Š| ||
| 1606 | G | 27.4 | Very low | 30.2 | Very low | 69.4 Ų | 69.4 | 139.8 Ų | 139.8 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | -122.7 | 157.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1607 | A | 31 | Very low | 29.8 | Very low | 99.4 Ų | 99.4 | 139.1 Ų | 139.1 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -160.6 | 148.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1608 | K | 25.5 | Very low | 29.7 | Very low | 193.8 Ų | 193.8 | 139.5 Ų | 139.5 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -135.4 | 139.2 | 165.8 | -74.3 | 176.2 | -179 | 174.7 | 0 | 111.8 | W938 | W938-K1608 HydrophobicContact CH2-CB 3.83Å; W938-K1608 HydrophobicContact CH2-CD 3.37Å; W938-K1608 VanDerWaalsContact CH2-CE 3.47Å; W938-K1608 HydrophobicContact CH2-CG 3.42Å; W938-K1608 VanDerWaalsContact CH2-CG 3.42Å; W938-K1608 HydrophobicContact CZ2-CD 4.01Å; W938-K1608 HydrophobicContact CZ2-CG 3.83Å; W938-K1608 HydrophobicContact CZ3-CD 3.87Å; W938-K1608 HydrophobicContact CZ3-CG 4.39Å | ||
| 1609 | S | 30.8 | Very low | 29.7 | Very low | 109.4 Ų | 109.4 | 140.1 Ų | 140.1 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 169.3 | 139.2 | 146.6 | 15.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1610 | S | 29 | Very low | 29.6 | Very low | 100.8 Ų | 100.8 | 138 Ų | 138 | 71% | 0.705 | 77% | 0.773 | S | S | * | * | 102.5 | 128 | 51.3 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1611 | E | 28 | Very low | 29.5 | Very low | 170.8 Ų | 170.8 | 130.6 Ų | 130.6 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | 166.9 | 137.9 | 58.4 | -102.9 | 163.3 | 161.9 | 0 | 0 | 114.9 | |||||
| 1612 | A | 29.4 | Very low | 29.3 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | -175.6 | 143.1 | 137.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1613 | Q | 28.5 | Very low | 29.3 | Very low | 156.6 Ų | 156.6 | 118.6 Ų | 118.6 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | cis | -167.4 | 142.8 | 49.9 | -68.1 | 162.2 | -26.9 | 0 | 0 | 111.5 | P2348 S2349 L2350 | Q1613-P2348 HydrophobicContact CG-CG 4.2Å; Q1613-S2349 WeakPolarHBondContact CG-OG 3.45Å; Q1613-S2349 PolarHBondContact NE2-OG 3.47Å; Q1613-L2350 VanDerWaalsContact NE2-CD1 3.35Å | ||
| 1614 | T | 29 | Very low | 29.3 | Very low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | -177.5 | 130.1 | 68.3 | 40 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1615 | T | 29.7 | Very low | 29.3 | Very low | 105.4 Ų | 105.4 | 113.2 Ų | 113.2 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | 46.4 | 140.6 | 120.3 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1616 | E | 28.3 | Very low | 29.3 | Very low | 170.8 Ų | 170.8 | 110.1 Ų | 110.1 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | cis | 175.6 | 167.8 | 28.1 | -103.2 | 164.7 | -121.8 | 0 | 0 | 110.5 | ||||
| 1617 | S | 30.3 | Very low | 29.5 | Very low | 111.2 Ų | 111.2 | 112.6 Ų | 112.6 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | 153.7 | 165.9 | -172.7 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1618 | S | 30.3 | Very low | 29.6 | Very low | 99.8 Ų | 99.8 | 111.2 Ų | 111.2 | 70% | 0.698 | 72% | 0.723 | S | S | * | * | trans | -173.6 | 156.6 | 170 | -149.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1619 | D | 29.9 | Very low | 29.9 | Very low | 151.8 Ų | 151.8 | 108 Ų | 108 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | 163.9 | 148.9 | 151.6 | -82.1 | -56 | 0 | 0 | 0 | 116.9 | ||||
| 1620 | G | 29 | Very low | 30 | Very low | 70 Ų | 70 | 109.4 Ų | 109.4 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | 93 | 117.7 | 146 | 0 | 0 | 0 | 0 | 0 | 119.1 | R1766 | G1620-R1766 VanDerWaalsContact C-NH1 3.27Å; G1620-R1766 WeakPolarHBondContact O-CD 3.48Å; G1620-R1766 PolarHBondContact O-NH1 3.24Å | ||
| 1621 | G | 28.7 | Very low | 30.4 | Very low | 76.6 Ų | 76.6 | 109.9 Ų | 109.9 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | 127.5 | 117.4 | 113.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | I1765 R1766 | G1621-I1765 WeakPolarHBondContact O-CG1 3.41Å; G1621-R1766 WeakPolarHBondContact O-CB 3.49Å; G1621-R1766 WeakPolarHBondContact O-CD 3.4Å | |||
| 1622 | G | 28.3 | Very low | 30.8 | Very low | 71.2 Ų | 71.2 | 109 Ų | 109 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | trans | 115.1 | 112.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1624 Y1764 I1765 | G1622-C1624 PolarHBondContact O-N 3.34Å; G1622-Y1764 VanDerWaalsContact O-CD1 3.29Å; G1622-Y1764 WeakPolarHBondContact O-CD1 3.42Å; G1622-I1765 PolarHBondContact O-N 2.98Å | ||
| 1623 | G | 29.3 | Very low | 31 | Very low | 68.2 Ų | 68.2 | 111.5 Ų | 111.5 | 70% | 0.703 | 68% | 0.678 | S | S | * | * | trans | 134.2 | 70.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1625 | G1623-G1625 VanDerWaalsContact C-N 3.34Å; G1623-G1625 PolarHBondContact O-N 3.32Å | ||
| 1624 | C | 30.8 | Very low | 31.3 | Very low | 132.8 Ų | 132.8 | 108.4 Ų | 108.4 | 90% | 0.897 | 67% | 0.665 | S | S | * | * | trans | -56.2 | 78.2 | 165.8 | -138.2 | 0 | 0 | 0 | 0 | 115.4 | G1622 | G1622-C1624 PolarHBondContact O-N 3.34Š| ||
| 1625 | G | 30.3 | Very low | 31.4 | Very low | 51.6 Ų | 51.6 | 105.5 Ų | 105.5 | 53% | 0.532 | 65% | 0.65 | S | S | . | * | trans | -140 | -5.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1623 I1627 A1628 E1629 | G1623-G1625 VanDerWaalsContact C-N 3.34Å; G1623-G1625 PolarHBondContact O-N 3.32Å; G1625-I1627 VanDerWaalsContact C-N 3.32Å; G1625-I1627 PolarHBondContact O-N 3Å; G1625-A1628 PolarHBondContact O-N 3.38Å; G1625-E1629 PolarHBondContact O-N 3.06Å | ||
| 1626 | V | 32.6 | Very low | 31.5 | Very low | 99.6 Ų | 99.6 | 105.2 Ų | 105.2 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -99.8 | 13.1 | -167.7 | -143.8 | 0 | 0 | 0 | 0 | 113.4 | E1629 R1630 | V1626-E1629 PolarHBondContact O-N 3.35Å; V1626-R1630 PolarHBondContact O-N 3.06Å; V1626-R1630 VanDerWaalsContact O-N 3.16Å; V1626-R1630 PolarHBondContact O-NE 2.83Å |
| 1627 | I | 31.5 | Very low | 31.9 | Very low | 122.4 Ų | 122.4 | 102.3 Ų | 102.3 | 63% | 0.628 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -98 | -12.4 | 167.7 | -54.2 | 171.3 | 0 | 0 | 0 | 110.9 | G1625 E1629 R1630 Y1631 | G1625-I1627 VanDerWaalsContact C-N 3.32Å; G1625-I1627 PolarHBondContact O-N 3Å; I1627-E1629 VanDerWaalsContact C-N 3.25Å; I1627-E1629 PolarHBondContact O-N 3.44Å; I1627-R1630 HydrophobicContact CG2-CB 4.5Å; I1627-R1630 PolarHBondContact O-N 3.03Å; I1627-Y1631 HydrophobicContact CG2-CD2 3.87Å; I1627-Y1631 HydrophobicContact CG2-CE2 3.85Å; I1627-Y1631 WeakPolarHBondContact O-CD2 3.47Å; I1627-Y1631 PolarHBondContact O-N 2.78Å; I1627-Y1631 VanDerWaalsContact O-N 3.13Å |
| 1628 | A | 31.8 | Very low | 32 | Very low | 70.6 Ų | 70.6 | 102.7 Ų | 102.7 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.8 | -21.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1625 R1630 K1632 | G1625-A1628 PolarHBondContact O-N 3.38Å; A1628-R1630 PolarHBondContact O-N 2.8Å; A1628-K1632 PolarHBondContact O-N 3.09Å |
| 1629 | E | 32.1 | Very low | 32.2 | Very low | 126.4 Ų | 126.4 | 103.3 Ų | 103.3 | 59% | 0.591 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -88.5 | -18.2 | -179.6 | -66.7 | -174.8 | 122 | 0 | 0 | 112.7 | G1625 V1626 I1627 Y1631 K1632 Q1633 | G1625-E1629 PolarHBondContact O-N 3.06Å; V1626-E1629 PolarHBondContact O-N 3.35Å; I1627-E1629 VanDerWaalsContact C-N 3.25Å; I1627-E1629 PolarHBondContact O-N 3.44Å; E1629-Y1631 VanDerWaalsContact C-N 3.31Å; E1629-Y1631 PolarHBondContact O-N 2.94Å; E1629-Y1631 VanDerWaalsContact O-N 3.16Å; E1629-K1632 WeakPolarHBondContact O-CA 3.37Å; E1629-K1632 WeakPolarHBondContact O-CB 3.39Å; E1629-K1632 PolarHBondContact O-N 3.2Å; E1629-K1632 VanDerWaalsContact O-N 3.15Å; E1629-Q1633 WeakPolarHBondContact O-CG 3.42Å; E1629-Q1633 PolarHBondContact O-N 3.21Å; E1629-Q1633 VanDerWaalsContact O-N 3.16Å; E1629-Q1633 PolarHBondContact OE1-NE2 3.47Å |
| 1630 | R | 33 | Very low | 32.2 | Very low | 139.8 Ų | 139.8 | 103.1 Ų | 103.1 | 53% | 0.528 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.7 | -24.9 | 172.1 | -138.6 | 177.6 | -68.7 | -154.3 | -1.9 | 113 | V1626 I1627 A1628 K1632 Q1633 L1634 | V1626-R1630 PolarHBondContact O-N 3.06Å; V1626-R1630 VanDerWaalsContact O-N 3.16Å; V1626-R1630 PolarHBondContact O-NE 2.83Å; I1627-R1630 HydrophobicContact CG2-CB 4.5Å; I1627-R1630 PolarHBondContact O-N 3.03Å; A1628-R1630 PolarHBondContact O-N 2.8Å; R1630-K1632 VanDerWaalsContact C-N 3.27Å; R1630-K1632 PolarHBondContact O-N 2.94Å; R1630-Q1633 PolarHBondContact O-N 2.84Å; R1630-L1634 HydrophobicContact CG-CD1 4.01Å; R1630-L1634 WeakPolarHBondContact O-CG 3.29Å; R1630-L1634 PolarHBondContact O-N 3.35Å; R1630-L1634 VanDerWaalsContact O-N 3.11Å |
| 1631 | Y | 37.9 | Very low | 32.4 | Very low | 110.4 Ų | 110.4 | 104.7 Ų | 104.7 | 43% | 0.433 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -83.9 | -11.4 | 173.6 | -90.3 | -81 | 0 | 0 | 0 | 114.2 | I1627 E1629 L1634 S1635 L1955 | I1627-Y1631 HydrophobicContact CG2-CD2 3.87Å; I1627-Y1631 HydrophobicContact CG2-CE2 3.85Å; I1627-Y1631 WeakPolarHBondContact O-CD2 3.47Å; I1627-Y1631 PolarHBondContact O-N 2.78Å; I1627-Y1631 VanDerWaalsContact O-N 3.13Å; E1629-Y1631 VanDerWaalsContact C-N 3.31Å; E1629-Y1631 PolarHBondContact O-N 2.94Å; E1629-Y1631 VanDerWaalsContact O-N 3.16Å; Y1631-L1634 HydrophobicContact CD1-CD1 4.38Å; Y1631-S1635 WeakPolarHBondContact O-CB 3.32Å; Y1631-S1635 PolarHBondContact O-N 3.18Å; Y1631-L1955 HydrophobicContact CE1-CD1 4.09Å; Y1631-L1955 HydrophobicContact CE1-CD2 4.14Å |
| 1632 | K | 35.6 | Very low | 32.5 | Very low | 152.6 Ų | 152.6 | 105.6 Ų | 105.6 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -90.9 | -28.3 | 172.9 | -85.1 | -176 | 176.1 | -179.6 | 0 | 113.1 | A1628 E1629 R1630 L1634 S1635 S1636 | A1628-K1632 PolarHBondContact O-N 3.09Å; E1629-K1632 WeakPolarHBondContact O-CA 3.37Å; E1629-K1632 WeakPolarHBondContact O-CB 3.39Å; E1629-K1632 PolarHBondContact O-N 3.2Å; E1629-K1632 VanDerWaalsContact O-N 3.15Å; R1630-K1632 VanDerWaalsContact C-N 3.27Å; R1630-K1632 PolarHBondContact O-N 2.94Å; K1632-L1634 VanDerWaalsContact C-N 3.35Å; K1632-L1634 PolarHBondContact O-N 2.92Å; K1632-S1635 PolarHBondContact O-N 3.13Å; K1632-S1635 VanDerWaalsContact O-N 3.07Å; K1632-S1636 PolarHBondContact O-N 3.06Å; K1632-S1636 PolarHBondContact O-OG 3.11Å |
| 1633 | Q | 34.5 | Very low | 32.6 | Very low | 139.6 Ų | 139.6 | 109.7 Ų | 109.7 | 65% | 0.652 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -84 | -17.9 | 179.7 | -65.1 | -174.2 | 14.3 | 0 | 0 | 112.6 | E1629 R1630 S1635 S1636 | E1629-Q1633 WeakPolarHBondContact O-CG 3.42Å; E1629-Q1633 PolarHBondContact O-N 3.21Å; E1629-Q1633 VanDerWaalsContact O-N 3.16Å; E1629-Q1633 PolarHBondContact OE1-NE2 3.47Å; R1630-Q1633 PolarHBondContact O-N 2.84Å; Q1633-S1635 PolarHBondContact O-N 3.16Å; Q1633-S1635 VanDerWaalsContact O-N 3.17Å; Q1633-S1636 PolarHBondContact O-N 3.19Å; Q1633-S1636 VanDerWaalsContact O-N 3.12Å; Q1633-S1636 PolarHBondContact O-OG 3.35Å |
| 1634 | L | 33.7 | Very low | 32.7 | Very low | 90.4 Ų | 90.4 | 113.2 Ų | 113.2 | 47% | 0.473 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -89.5 | -8.9 | 174.6 | -71.7 | 171 | 0 | 0 | 0 | 113 | R1630 Y1631 K1632 S1636 T1637 Q1992 | R1630-L1634 HydrophobicContact CG-CD1 4.01Å; R1630-L1634 WeakPolarHBondContact O-CG 3.29Å; R1630-L1634 PolarHBondContact O-N 3.35Å; R1630-L1634 VanDerWaalsContact O-N 3.11Å; Y1631-L1634 HydrophobicContact CD1-CD1 4.38Å; K1632-L1634 VanDerWaalsContact C-N 3.35Å; K1632-L1634 PolarHBondContact O-N 2.92Å; L1634-S1636 VanDerWaalsContact C-N 3.34Å; L1634-S1636 PolarHBondContact O-N 2.9Å; L1634-T1637 PolarHBondContact O-N 2.91Å; L1634-T1637 PolarHBondContact O-OG1 3.17Å; L1634-Q1992 HydrophobicContact CD2-CB 4.35Å; L1634-Q1992 HydrophobicContact CD2-CG 4.46Å |
| 1635 | S | 32.7 | Very low | 32.6 | Very low | 55.2 Ų | 55.2 | 113 Ų | 113 | 39% | 0.386 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | 14.6 | 175 | -121.6 | 0 | 0 | 0 | 0 | 112.2 | Y1350 Y1631 K1632 Q1633 | Y1350-S1635 WeakPolarHBondContact CE1-OG 3.45Å; Y1631-S1635 WeakPolarHBondContact O-CB 3.32Å; Y1631-S1635 PolarHBondContact O-N 3.18Å; K1632-S1635 PolarHBondContact O-N 3.13Å; K1632-S1635 VanDerWaalsContact O-N 3.07Å; Q1633-S1635 PolarHBondContact O-N 3.16Å; Q1633-S1635 VanDerWaalsContact O-N 3.17Å |
| 1636 | S | 31.9 | Very low | 32.5 | Very low | 97.4 Ų | 97.4 | 117 Ų | 117 | 68% | 0.681 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 16.2 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | K1632 Q1633 L1634 | K1632-S1636 PolarHBondContact O-N 3.06Å; K1632-S1636 PolarHBondContact O-OG 3.11Å; Q1633-S1636 PolarHBondContact O-N 3.19Å; Q1633-S1636 VanDerWaalsContact O-N 3.12Å; Q1633-S1636 PolarHBondContact O-OG 3.35Å; L1634-S1636 VanDerWaalsContact C-N 3.34Å; L1634-S1636 PolarHBondContact O-N 2.9Å |
| 1637 | T | 34.8 | Very low | 32.4 | Very low | 110.6 Ų | 110.6 | 118.5 Ų | 118.5 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -127.1 | 54.1 | 170.8 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | L1634 R1988 | L1634-T1637 PolarHBondContact O-N 2.91Å; L1634-T1637 PolarHBondContact O-OG1 3.17Å; T1637-R1988 PolarHBondContact O-NH2 2.99Å |
| 1638 | L | 33.8 | Very low | 32.4 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 63% | 0.628 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -118.5 | 45.9 | -168.3 | -95.5 | 128.7 | 0 | 0 | 0 | 114.7 | ||
| 1639 | L | 33.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 59% | 0.592 | 66% | 0.656 | S | S | * | * | trans | -127.6 | 63.8 | 157.8 | -84.2 | 163.3 | 0 | 0 | 0 | 112.6 | K1352 Q1371 P1641 | K1352-L1639 HydrophobicContact CD-CD1 4.31Å; Q1371-L1639 PolarHBondContact NE2-O 3.07Å; L1639-P1641 VanDerWaalsContact O-CD 3.22Å; L1639-P1641 WeakPolarHBondContact O-CD 3.31Å | ||
| 1640 | D | 29.7 | Very low | 32.4 | Very low | 146.6 Ų | 146.6 | 124.4 Ų | 124.4 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | trans | -103.5 | 125.9 | 169.2 | -73.7 | -49.4 | 0 | 0 | 0 | 110.5 | A1642 | D1640-A1642 VanDerWaalsContact C-N 3.35Å; D1640-A1642 PolarHBondContact O-N 3.15Å; D1640-A1642 VanDerWaalsContact O-N 3.07Å | ||
| 1641 | P | 34.3 | Very low | 32.4 | Very low | 103.4 Ų | 103.4 | 124.3 Ų | 124.3 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | trans | -72.7 | 116.4 | 171.4 | 30.2 | -32.7 | 0 | 0 | 0 | 110 | L1639 I1643 | L1639-P1641 VanDerWaalsContact O-CD 3.22Å; L1639-P1641 WeakPolarHBondContact O-CD 3.31Å; P1641-I1643 PolarHBondContact O-N 2.98Å | ||
| 1642 | A | 31.4 | Very low | 32.2 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -64.6 | 115.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1640 I1644 | D1640-A1642 VanDerWaalsContact C-N 3.35Å; D1640-A1642 PolarHBondContact O-N 3.15Å; D1640-A1642 VanDerWaalsContact O-N 3.07Å; A1642-I1644 PolarHBondContact O-N 3.02Å; A1642-I1644 VanDerWaalsContact O-N 3.12Å | ||
| 1643 | I | 30.3 | Very low | 32 | Very low | 158.4 Ų | 158.4 | 125 Ų | 125 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -79.2 | 110.6 | 169.1 | -61.7 | 174.5 | 0 | 0 | 0 | 108.6 | P1641 N1645 | P1641-I1643 PolarHBondContact O-N 2.98Å; I1643-N1645 VanDerWaalsContact C-N 3.33Å; I1643-N1645 PolarHBondContact O-N 3.23Å | ||
| 1644 | I | 29.9 | Very low | 31.9 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 73% | 0.728 | 70% | 0.702 | S | S | * | * | trans | -81.3 | 110.1 | 169.7 | -62.2 | 174.9 | 0 | 0 | 0 | 108.3 | A1642 N1646 | A1642-I1644 PolarHBondContact O-N 3.02Å; A1642-I1644 VanDerWaalsContact O-N 3.12Å; I1644-N1646 HydrophobicContact CG2-CB 4.25Å; I1644-N1646 WeakPolarHBondContact CG2-OD1 3.17Å; I1644-N1646 PolarHBondContact O-N 2.87Å | ||
| 1645 | N | 29.3 | Very low | 31.8 | Very low | 127.6 Ų | 127.6 | 125.4 Ų | 125.4 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | trans | -98.6 | 101.8 | 175.8 | -165.4 | 8.2 | 0 | 0 | 0 | 109.9 | I1643 N1647 | I1643-N1645 VanDerWaalsContact C-N 3.33Å; I1643-N1645 PolarHBondContact O-N 3.23Å; N1645-N1647 VanDerWaalsContact C-N 3.34Å; N1645-N1647 PolarHBondContact O-N 3.03Å; N1645-N1647 PolarHBondContact OD1-ND2 3.42Å | ||
| 1646 | N | 29 | Very low | 31.7 | Very low | 136.8 Ų | 136.8 | 129 Ų | 129 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | -94.6 | 108.1 | 173.6 | -89.3 | -16.7 | 0 | 0 | 0 | 110.8 | I1644 | I1644-N1646 HydrophobicContact CG2-CB 4.25Å; I1644-N1646 WeakPolarHBondContact CG2-OD1 3.17Å; I1644-N1646 PolarHBondContact O-N 2.87Å | ||
| 1647 | N | 30.6 | Very low | 31.7 | Very low | 130.8 Ų | 130.8 | 130.4 Ų | 130.4 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -123.5 | 105.2 | 157.7 | -90.5 | -25.8 | 0 | 0 | 0 | 110.1 | N1645 I2424 | N1645-N1647 VanDerWaalsContact C-N 3.34Å; N1645-N1647 PolarHBondContact O-N 3.03Å; N1645-N1647 PolarHBondContact OD1-ND2 3.42Å; N1647-I2424 HydrophobicContact CB-CD1 3.97Å; N1647-I2424 HydrophobicContact CB-CG1 4.31Å; N1647-I2424 WeakPolarHBondContact OD1-CG2 3.28Å | ||
| 1648 | N | 31.3 | Very low | 31.6 | Very low | 150.6 Ų | 150.6 | 131.3 Ų | 131.3 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | trans | -88 | 133 | 157.8 | -77.7 | -18 | 0 | 0 | 0 | 109.2 | D1650 | N1648-D1650 PolarHBondContact O-N 2.98Š| ||
| 1649 | N | 31.3 | Very low | 31.5 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -116.6 | 103.3 | 141.4 | -104.1 | -9.8 | 0 | 0 | 0 | 111.3 | N1651 | N1649-N1651 PolarHBondContact O-N 3.18Š| ||
| 1650 | D | 32.9 | Very low | 31.5 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | -111 | 115.1 | 152.4 | -77.5 | -51.3 | 0 | 0 | 0 | 110.3 | N1648 N1652 | N1648-D1650 PolarHBondContact O-N 2.98Å; D1650-N1652 PolarHBondContact O-N 2.99Å; D1650-N1652 VanDerWaalsContact O-N 3.1Å | ||
| 1651 | N | 32.6 | Very low | 31.5 | Very low | 136.8 Ų | 136.8 | 133.5 Ų | 133.5 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -110.2 | 122 | 139.9 | -90.2 | -51.5 | 0 | 0 | 0 | 110.3 | N1649 | N1649-N1651 PolarHBondContact O-N 3.18Š| ||
| 1652 | N | 32.7 | Very low | 31.5 | Very low | 139.8 Ų | 139.8 | 132.1 Ų | 132.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 156.5 | 135.7 | 132.5 | -95.6 | -43.6 | 0 | 0 | 0 | 116.7 | D1650 | D1650-N1652 PolarHBondContact O-N 2.99Å; D1650-N1652 VanDerWaalsContact O-N 3.1Å | ||
| 1653 | N | 32.2 | Very low | 31.5 | Very low | 138.6 Ų | 138.6 | 134.3 Ų | 134.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -22.1 | 131.3 | 139.8 | -66.3 | -58.1 | 0 | 0 | 0 | 117.6 | ||||
| 1654 | N | 31.1 | Very low | 31.7 | Very low | 153.2 Ų | 153.2 | 132.2 Ų | 132.2 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | 173.2 | 144.1 | 123.2 | -115.5 | -22.5 | 0 | 0 | 0 | 116.2 | |||||
| 1655 | S | 31.7 | Very low | 31.7 | Very low | 84.8 Ų | 84.8 | 132.8 Ų | 132.8 | 59% | 0.593 | 75% | 0.745 | S | S | * | * | trans | -140.3 | 132.9 | 159.5 | -149.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1656 | N | 31.9 | Very low | 31.6 | Very low | 131.6 Ų | 131.6 | 134.3 Ų | 134.3 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | 106 | 130.8 | 126.3 | -75.4 | -21.3 | 0 | 0 | 0 | 117.8 | |||||
| 1657 | N | 30.8 | Very low | 31.7 | Very low | 125.6 Ų | 125.6 | 131 Ų | 131 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | 88 | 123.9 | 117.5 | -77 | -18.2 | 0 | 0 | 0 | 117.9 | |||||
| 1658 | N | 32.5 | Very low | 31.8 | Very low | 130.2 Ų | 130.2 | 131.2 Ų | 131.2 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 82 | 110.7 | 132.6 | -66 | -24.1 | 0 | 0 | 0 | 116.4 | ||||
| 1659 | N | 31.6 | Very low | 31.6 | Very low | 130.6 Ų | 130.6 | 131.2 Ų | 131.2 | 70% | 0.698 | 76% | 0.757 | S | S | * | * | 96.7 | 118.6 | 87.9 | -76.6 | -24.6 | 0 | 0 | 0 | 115 | |||||
| 1660 | N | 33.9 | Very low | 31.5 | Very low | 136.8 Ų | 136.8 | 130.8 Ų | 130.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | 135.8 | 123.7 | 121.4 | -77.2 | -31.3 | 0 | 0 | 0 | 117.1 | |||||
| 1661 | N | 31.1 | Very low | 31.3 | Very low | 158.2 Ų | 158.2 | 127.9 Ų | 127.9 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 31.5 | 125.5 | 141 | -52.3 | -23.6 | 0 | 0 | 0 | 118.4 | ||||
| 1662 | G | 32.5 | Very low | 31.1 | Very low | 74.4 Ų | 74.4 | 128 Ų | 128 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | 160.4 | 100.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1663 | T | 31.9 | Very low | 30.9 | Very low | 140.6 Ų | 140.6 | 129.1 Ų | 129.1 | 86% | 0.863 | 75% | 0.753 | S | S | * | * | trans | -75.5 | 154.8 | 165 | 35.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1664 | P | 34 | Very low | 30.8 | Very low | 114.4 Ų | 114.4 | 127.3 Ų | 127.3 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -105.4 | 172.5 | -175.2 | 40.2 | -34.7 | 0 | 0 | 0 | 115.3 | ||||
| 1665 | L | 30.4 | Very low | 30.9 | Very low | 155.2 Ų | 155.2 | 128.2 Ų | 128.2 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -176.3 | 140.8 | 144.6 | -90 | 166.7 | 0 | 0 | 0 | 115.2 | ||||
| 1666 | N | 27.8 | Very low | 30.8 | Very low | 158.6 Ų | 158.6 | 130.7 Ų | 130.7 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | 16.7 | 137.4 | 157.5 | -61.2 | -13.4 | 0 | 0 | 0 | 118.9 | ||||
| 1667 | G | 31.2 | Very low | 30.6 | Very low | 66.8 Ų | 66.8 | 133.9 Ų | 133.9 | 69% | 0.689 | 76% | 0.758 | S | S | * | * | 166 | 148.9 | 71.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1668 | T | 31.7 | Very low | 30.6 | Very low | 135.4 Ų | 135.4 | 133.5 Ų | 133.5 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | 99.1 | 132.3 | 109.9 | -6.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1669 | N | 26.9 | Very low | 30.5 | Very low | 149.8 Ų | 149.8 | 135 Ų | 135 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | 17.6 | 139.1 | 126.1 | -65.4 | -15.8 | 0 | 0 | 0 | 116.1 | |||||
| 1670 | V | 30.6 | Very low | 30.4 | Very low | 134.4 Ų | 134.4 | 136.2 Ų | 136.2 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | 176.6 | 129.2 | 115.8 | 165 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1671 | S | 28 | Very low | 30.1 | Very low | 90.4 Ų | 90.4 | 133.9 Ų | 133.9 | 63% | 0.632 | 75% | 0.753 | S | S | * | * | trans | 37.1 | 138.5 | 134.8 | 61.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1672 | N | 28.3 | Very low | 30.1 | Very low | 139.2 Ų | 139.2 | 133.1 Ų | 133.1 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | 111.7 | 143 | 100.7 | -88.8 | 15.8 | 0 | 0 | 0 | 115.3 | |||||
| 1673 | E | 28.6 | Very low | 29.9 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -127.5 | 131.4 | 142.5 | -78.3 | -174.5 | 130.9 | 0 | 0 | 114.1 | K1675 | E1673-K1675 WeakPolarHBondContact OE1-CE 3.36Å; E1673-K1675 IonicContact OE1-NZ 2.66Å; E1673-K1675 PolarHBondContact OE1-NZ 3.19Å | ||
| 1674 | S | 30.8 | Very low | 29.8 | Very low | 99.4 Ų | 99.4 | 135.3 Ų | 135.3 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | 159.4 | 132 | 127.7 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1675 | K | 31.7 | Very low | 29.6 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 172.4 | 132.3 | 156.2 | -80.6 | 170.3 | -176.4 | 150.5 | 0 | 112.8 | E1673 | E1673-K1675 WeakPolarHBondContact OE1-CE 3.36Å; E1673-K1675 IonicContact OE1-NZ 2.66Å; E1673-K1675 PolarHBondContact OE1-NZ 3.19Å | ||
| 1676 | D | 31.4 | Very low | 29.4 | Very low | 137.2 Ų | 137.2 | 140.5 Ų | 140.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | 139.4 | 143.1 | 124.5 | -78.4 | -21.4 | 0 | 0 | 0 | 112.5 | |||||
| 1677 | Y | 27.6 | Very low | 29.3 | Very low | 198.4 Ų | 198.4 | 141.3 Ų | 141.3 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | cis | -172 | 133.2 | 25.2 | -137.5 | -124.8 | 0 | 0 | 0 | 109.2 | ||||
| 1678 | I | 30.2 | Very low | 29.2 | Very low | 117.6 Ų | 117.6 | 143.6 Ų | 143.6 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | 148.6 | 131.7 | 125 | -85 | 178.3 | 0 | 0 | 0 | 113.1 | H1680 | I1678-H1680 PolarHBondContact O-N 3.34Š| |||
| 1679 | Q | 30.7 | Very low | 28.9 | Very low | 160.6 Ų | 160.6 | 142.8 Ų | 142.8 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | 31.2 | 136.6 | 144.4 | -70.4 | 168 | -12.4 | 0 | 0 | 116.9 | ||||
| 1680 | H | 28.7 | Very low | 29.1 | Very low | 156.4 Ų | 156.4 | 141.7 Ų | 141.7 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | cis | -141.3 | 139 | 40.3 | -99.3 | -74.7 | 0 | 0 | 0 | 109.2 | I1678 D1682 | I1678-H1680 PolarHBondContact O-N 3.34Å; H1680-D1682 IonicContact ND1-OD1 3.78Å | ||
| 1681 | S | 28.3 | Very low | 28.9 | Very low | 89.8 Ų | 89.8 | 141.6 Ų | 141.6 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | -148.8 | 131.3 | 94.6 | 51.5 | 0 | 0 | 0 | 0 | 112 | N1683 | S1681-N1683 PolarHBondContact O-N 3.09Š| |||
| 1682 | D | 31.4 | Very low | 29 | Very low | 140.2 Ų | 140.2 | 144.2 Ų | 144.2 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | -65.3 | 118.7 | 142.6 | -61.6 | -19.7 | 0 | 0 | 0 | 114.9 | H1680 V1684 | H1680-D1682 IonicContact ND1-OD1 3.78Å; D1682-V1684 PolarHBondContact O-N 3.01Å; D1682-V1684 VanDerWaalsContact O-N 3.08Å | ||
| 1683 | N | 27.7 | Very low | 29 | Very low | 137.8 Ų | 137.8 | 144.3 Ų | 144.3 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | -112.9 | 115.2 | 74.5 | -90 | -39.8 | 0 | 0 | 0 | 111.6 | S1681 R1685 | S1681-N1683 PolarHBondContact O-N 3.09Å; N1683-R1685 VanDerWaalsContact C-N 3.3Å; N1683-R1685 PolarHBondContact O-N 3.1Å | |||
| 1684 | V | 30.4 | Very low | 29.1 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | -146.2 | 120.4 | 124 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | D1682 | D1682-V1684 PolarHBondContact O-N 3.01Å; D1682-V1684 VanDerWaalsContact O-N 3.08Å | |||
| 1685 | R | 29.6 | Very low | 29 | Very low | 212.4 Ų | 212.4 | 144 Ų | 144 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | -144.4 | 133.3 | 54.8 | -159.4 | 176.3 | -88.5 | -138.5 | -0.8 | 110.5 | N1683 F1687 | N1683-R1685 VanDerWaalsContact C-N 3.3Å; N1683-R1685 PolarHBondContact O-N 3.1Å; R1685-F1687 HydrophobicContact CG-CE2 4.33Å | |||
| 1686 | Q | 26.6 | Very low | 28.9 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -24.9 | 129.4 | 137.9 | -71.6 | 168.6 | -23 | 0 | 0 | 114.3 | ||||
| 1687 | F | 25.6 | Very low | 28.7 | Very low | 175.6 Ų | 175.6 | 142.4 Ų | 142.4 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | 83 | 148 | 129.2 | -77.5 | -64.1 | 0 | 0 | 0 | 114.4 | R1685 | R1685-F1687 HydrophobicContact CG-CE2 4.33Š| |||
| 1688 | P | 27.9 | Very low | 28.8 | Very low | 114.6 Ų | 114.6 | 137.6 Ų | 137.6 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | -113.5 | 159.1 | 69.2 | 38.8 | -30.3 | 0 | 0 | 0 | 115.4 | V1690 | P1688-V1690 HydrophobicContact CB-CG2 4.13Å; P1688-V1690 HydrophobicContact CG-CG2 4.05Å; P1688-V1690 PolarHBondContact O-N 3.14Å | |||
| 1689 | T | 25.7 | Very low | 28.7 | Very low | 118.2 Ų | 118.2 | 141.5 Ų | 141.5 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | trans | -75.1 | 139 | 158.4 | 48 | 0 | 0 | 0 | 0 | 110.6 | D1691 | T1689-D1691 WeakPolarHBondContact CB-OD2 3.41Å; T1689-D1691 PolarHBondContact OG1-OD2 3.45Å | ||
| 1690 | V | 31.9 | Very low | 28.5 | Very low | 127.8 Ų | 127.8 | 139 Ų | 139 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -135.5 | 126.3 | 156.6 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | P1688 | P1688-V1690 HydrophobicContact CB-CG2 4.13Å; P1688-V1690 HydrophobicContact CG-CG2 4.05Å; P1688-V1690 PolarHBondContact O-N 3.14Å | ||
| 1691 | D | 26.5 | Very low | 28.5 | Very low | 132.6 Ų | 132.6 | 136.4 Ų | 136.4 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | trans | -73.3 | 145.6 | 174.8 | -51.7 | -74.7 | 0 | 0 | 0 | 114.1 | T1689 | T1689-D1691 WeakPolarHBondContact CB-OD2 3.41Å; T1689-D1691 PolarHBondContact OG1-OD2 3.45Å | ||
| 1692 | D | 30.1 | Very low | 28.6 | Very low | 144.2 Ų | 144.2 | 141.2 Ų | 141.2 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | 172.7 | 109 | 143.5 | -93.9 | -26.4 | 0 | 0 | 0 | 115.9 | ||||
| 1693 | N | 28.1 | Very low | 28.5 | Very low | 140.6 Ų | 140.6 | 139 Ų | 139 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -90.7 | 150.9 | 151.5 | -78.2 | -49.5 | 0 | 0 | 0 | 115.3 | ||||
| 1694 | V | 31 | Very low | 28.7 | Very low | 123.2 Ų | 123.2 | 139.1 Ų | 139.1 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | 92.4 | 106.5 | 163.3 | -175.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1695 | I | 28.5 | Very low | 29 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | 100.1 | 128.5 | 78.1 | -86.3 | 168.1 | 0 | 0 | 0 | 114.1 | |||||
| 1696 | Q | 28.5 | Very low | 29.3 | Very low | 171.6 Ų | 171.6 | 139.4 Ų | 139.4 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | 76.8 | 134.6 | 118.9 | -99.6 | 165.5 | -13.6 | 0 | 0 | 117.7 | |||||
| 1697 | S | 27 | Very low | 30.1 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 129 | 145.7 | 142 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | F1699 | S1697-F1699 PolarHBondContact O-N 3Š| ||
| 1698 | S | 29.9 | Very low | 30.9 | Very low | 98.8 Ų | 98.8 | 136.7 Ų | 136.7 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -155.6 | 144.1 | 131.4 | -76 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1699 | F | 28.4 | Very low | 31.7 | Very low | 198.4 Ų | 198.4 | 138.9 Ų | 138.9 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | 172.5 | 118.7 | 144.4 | -76.8 | -74 | 0 | 0 | 0 | 113.1 | S1697 F1702 | S1697-F1699 PolarHBondContact O-N 3Å; F1699-F1702 HydrophobicContact CD1-CE2 4.36Å; F1699-F1702 HydrophobicContact CE1-CE2 4.39Å; F1699-F1702 HydrophobicContact CE1-CZ 4.44Å | ||
| 1700 | S | 27 | Very low | 32.4 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 162.3 | 123.7 | 146.2 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1701 | S | 28.3 | Very low | 33 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 93.8 | 131.4 | 160.4 | -150.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1702 | F | 29.8 | Very low | 34 | Very low | 190.4 Ų | 190.4 | 137.4 Ų | 137.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -123.6 | 156.9 | 150.7 | -97 | -83.7 | 0 | 0 | 0 | 109.7 | F1699 | F1699-F1702 HydrophobicContact CD1-CE2 4.36Å; F1699-F1702 HydrophobicContact CE1-CE2 4.39Å; F1699-F1702 HydrophobicContact CE1-CZ 4.44Å | ||
| 1703 | S | 31.1 | Very low | 35 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -129.8 | 160.3 | 175 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1704 | D | 31.3 | Very low | 35.9 | Very low | 141.2 Ų | 141.2 | 138.1 Ų | 138.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 67.5 | 138.8 | 150 | -44.7 | -37.5 | 0 | 0 | 0 | 115.2 | ||||
| 1705 | D | 37.1 | Very low | 36.7 | Very low | 158.6 Ų | 158.6 | 138.8 Ų | 138.8 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | -170.3 | 150.8 | 104.1 | -92.5 | -27.4 | 0 | 0 | 0 | 112.5 | |||||
| 1706 | E | 35.9 | Very low | 37.7 | Very low | 183.2 Ų | 183.2 | 139.2 Ų | 139.2 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -84.9 | 139.9 | 175.8 | -62.3 | 175.8 | 135.9 | 0 | 0 | 115 | ||||
| 1707 | V | 42.6 | Very low | 38.5 | Very low | 143.4 Ų | 143.4 | 137.3 Ų | 137.3 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -170.2 | 142.8 | 131.4 | -96.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1708 | D | 42.9 | Very low | 39.2 | Very low | 142.6 Ų | 142.6 | 138.9 Ų | 138.9 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -5.3 | 148.8 | 157 | -125 | 0.2 | 0 | 0 | 0 | 114.4 | ||||
| 1709 | D | 44.1 | Very low | 39.6 | Very low | 159.2 Ų | 159.2 | 141.5 Ų | 141.5 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | 141 | 137.2 | 149.5 | -87.1 | -34.7 | 0 | 0 | 0 | 111.9 | ||||
| 1710 | G | 40.8 | Very low | 40 | Very low | 60.6 Ų | 60.6 | 140.6 Ų | 140.6 | 63% | 0.625 | 77% | 0.769 | S | S | * | * | 102.7 | 133.9 | 121.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1711 | D | 44.9 | Very low | 40.2 | Very low | 150.6 Ų | 150.6 | 140.5 Ų | 140.5 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | cis | 158.7 | 165 | 31.7 | -82.4 | -25.9 | 0 | 0 | 0 | 111.9 | ||||
| 1712 | D | 46.3 | Very low | 40.3 | Very low | 137.2 Ų | 137.2 | 142.4 Ų | 142.4 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 85.3 | 132.3 | 140.8 | -58.4 | -23.1 | 0 | 0 | 0 | 119.4 | ||||
| 1713 | D | 50.6 | Low | 40.5 | Very low | 134.6 Ų | 134.6 | 139 Ų | 139 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 81.8 | 136.6 | 105.9 | -66.1 | -16.5 | 0 | 0 | 0 | 118.1 | |||||
| 1714 | E | 47.9 | Very low | 40.5 | Very low | 163.6 Ų | 163.6 | 140.4 Ų | 140.4 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | 114.8 | 139.3 | 49.3 | -87.6 | -175.1 | 168.6 | 0 | 0 | 113.4 | ||||
| 1715 | D | 48.6 | Very low | 40.4 | Very low | 138.8 Ų | 138.8 | 142.2 Ų | 142.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | 75.6 | 158.6 | 122.7 | -59 | -27.7 | 0 | 0 | 0 | 118.7 | |||||
| 1716 | D | 47.8 | Very low | 40 | Very low | 141.4 Ų | 141.4 | 142.4 Ų | 142.4 | 76% | 0.756 | 77% | 0.772 | S | S | * | * | cis | -164.9 | 173.8 | 8.2 | -109.2 | -24.3 | 0 | 0 | 0 | 115.6 | ||||
| 1717 | D | 45.4 | Very low | 39.8 | Very low | 133.6 Ų | 133.6 | 139.3 Ų | 139.3 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | 64 | 114.2 | 150.5 | -92.1 | -25.8 | 0 | 0 | 0 | 120 | ||||
| 1718 | D | 42.7 | Very low | 39.1 | Very low | 136.4 Ų | 136.4 | 137.7 Ų | 137.7 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | 20.7 | 135.9 | 115.4 | -84.8 | -17 | 0 | 0 | 0 | 121.4 | |||||
| 1719 | N | 38.7 | Very low | 38.5 | Very low | 154.4 Ų | 154.4 | 140.1 Ų | 140.1 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | 160.7 | 140.2 | 123 | -88.5 | -73.8 | 0 | 0 | 0 | 116.7 | |||||
| 1720 | E | 35.6 | Very low | 37.7 | Very low | 179.8 Ų | 179.8 | 140.7 Ų | 140.7 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -125.5 | 161.3 | 164.1 | -159.8 | -172 | -173.2 | 0 | 0 | 114.4 | ||||
| 1721 | C | 31.4 | Very low | 37.1 | Very low | 105.6 Ų | 105.6 | 142.8 Ų | 142.8 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | 28.3 | 112.4 | 163.6 | -134.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1722 | I | 30.8 | Very low | 36.4 | Very low | 142.4 Ų | 142.4 | 142 Ų | 142 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | 82.4 | 136.4 | 105.2 | -50.5 | 176.8 | 0 | 0 | 0 | 114.8 | T1724 | I1722-T1724 WeakPolarHBondContact CG2-OG1 3.49Š| |||
| 1723 | P | 33.3 | Very low | 35.6 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -108 | 163.2 | 176.9 | 37.5 | -26.5 | 0 | 0 | 0 | 114.1 | ||||
| 1724 | T | 32.1 | Very low | 34.5 | Very low | 122.8 Ų | 122.8 | 140.3 Ų | 140.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -175.8 | 122.9 | 147.1 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | I1722 M1726 | I1722-T1724 WeakPolarHBondContact CG2-OG1 3.49Å; T1724-M1726 HydrophobicContact CG2-CB 4.38Å | ||
| 1725 | E | 29.7 | Very low | 33.7 | Very low | 178.6 Ų | 178.6 | 137.5 Ų | 137.5 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -83.6 | 146.5 | 165.5 | -71.9 | -177.1 | 141.4 | 0 | 0 | 113.4 | ||||
| 1726 | M | 29 | Very low | 32.7 | Very low | 164.4 Ų | 164.4 | 139.4 Ų | 139.4 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | 137.5 | 132.5 | 124.1 | -93.2 | -168.2 | 138.5 | 0 | 0 | 114.1 | T1724 | T1724-M1726 HydrophobicContact CG2-CB 4.38Š| |||
| 1727 | V | 30.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | 85.1 | 119.1 | 105.1 | 177.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1728 | T | 28.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | trans | 34 | 136.4 | 147.2 | 42.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1729 | K | 29.7 | Very low | 30.5 | Very low | 191.2 Ų | 191.2 | 134.7 Ų | 134.7 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | 119.4 | 140.6 | 125.5 | -80.8 | 166 | -175.2 | 175.7 | 0 | 118.5 | |||||
| 1730 | Q | 28.2 | Very low | 30.1 | Very low | 173.6 Ų | 173.6 | 133.6 Ų | 133.6 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 142.9 | 121 | 135.1 | -153.6 | 141.4 | -1.6 | 0 | 0 | 116.2 | ||||
| 1731 | S | 28.7 | Very low | 30 | Very low | 103.6 Ų | 103.6 | 132.3 Ų | 132.3 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 147.1 | 143 | 65.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1732 | V | 28.3 | Very low | 29.9 | Very low | 133.8 Ų | 133.8 | 132.7 Ų | 132.7 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 162.5 | 118.1 | 140.5 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1733 | A | 29.8 | Very low | 30 | Very low | 85.6 Ų | 85.6 | 132.1 Ų | 132.1 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | 109.6 | 146 | 123.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1734 | N | 28.4 | Very low | 30 | Very low | 149.8 Ų | 149.8 | 132.6 Ų | 132.6 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 147.4 | 147 | 159.4 | -75.7 | -12.7 | 0 | 0 | 0 | 114.7 | ||||
| 1735 | S | 30.5 | Very low | 30.1 | Very low | 105.2 Ų | 105.2 | 133 Ų | 133 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 85.2 | 130.1 | 146.6 | -64.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1736 | M | 27.1 | Very low | 30.2 | Very low | 180.2 Ų | 180.2 | 129.6 Ų | 129.6 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | 119.9 | 131.8 | 103.2 | -79.7 | -169.6 | -67.1 | 0 | 0 | 115.1 | |||||
| 1737 | G | 30.3 | Very low | 30.3 | Very low | 72.8 Ų | 72.8 | 128.2 Ų | 128.2 | 75% | 0.751 | 74% | 0.737 | S | S | * | * | trans | 134 | 121.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1738 | V | 29.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | 123 | 140.8 | 151.1 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1739 | S | 31.7 | Very low | 30.3 | Very low | 102.2 Ų | 102.2 | 130.5 Ų | 130.5 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | 153.8 | 141.8 | 114.4 | 36.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1740 | N | 30.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | 95.6 | 145.9 | 51.9 | -118.9 | 25.5 | 0 | 0 | 0 | 113.1 | |||||
| 1741 | E | 31.9 | Very low | 30.4 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | 116.7 | 139.4 | 128.6 | -79.6 | -177 | -152 | 0 | 0 | 116.1 | |||||
| 1742 | N | 30.5 | Very low | 30.3 | Very low | 115.2 Ų | 115.2 | 130.9 Ų | 130.9 | 62% | 0.616 | 73% | 0.733 | S | S | * | * | 115.4 | 149.4 | 61.4 | -81.4 | -21.8 | 0 | 0 | 0 | 114.6 | |||||
| 1743 | N | 33.6 | Very low | 30.3 | Very low | 129.2 Ų | 129.2 | 129 Ų | 129 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | 111.8 | 137.9 | 139.7 | -71.1 | -37.7 | 0 | 0 | 0 | 116.1 | ||||
| 1744 | N | 31.7 | Very low | 30.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | 104.9 | 160.8 | 102 | -78.3 | -7.1 | 0 | 0 | 0 | 116.9 | |||||
| 1745 | D | 34.1 | Very low | 30.3 | Very low | 132.6 Ų | 132.6 | 131.4 Ų | 131.4 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | 89 | 124 | 136.8 | -73.8 | -34 | 0 | 0 | 0 | 119 | ||||
| 1746 | T | 33.1 | Very low | 30.2 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | 117.6 | 146.7 | 69.5 | 47.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1747 | N | 30.6 | Very low | 30.2 | Very low | 133.2 Ų | 133.2 | 132.3 Ų | 132.3 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | trans | 64.5 | 123.1 | 153.6 | -57 | -37 | 0 | 0 | 0 | 118.4 | N1749 | N1747-N1749 PolarHBondContact O-N 3.06Š| ||
| 1748 | N | 29.5 | Very low | 30.1 | Very low | 136.2 Ų | 136.2 | 134.1 Ų | 134.1 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | cis | 154 | 126.1 | 46.9 | -92.5 | -20.4 | 0 | 0 | 0 | 112.8 | ||||
| 1749 | N | 29.9 | Very low | 30.2 | Very low | 140.4 Ų | 140.4 | 133.6 Ų | 133.6 | 75% | 0.751 | 71% | 0.707 | S | S | * | * | trans | 76.2 | 125.7 | 136.7 | -62.4 | -31.7 | 0 | 0 | 0 | 114.7 | N1747 F1751 | N1747-N1749 PolarHBondContact O-N 3.06Å; N1749-F1751 HydrophobicContact CB-CD2 3.8Å; N1749-F1751 HydrophobicContact CB-CE2 3.97Å; N1749-F1751 WeakPolarHBondContact OD1-CE2 3.28Å | ||
| 1750 | S | 31.4 | Very low | 30.3 | Very low | 90.8 Ų | 90.8 | 134.1 Ų | 134.1 | 64% | 0.635 | 71% | 0.708 | S | S | * | * | -155.7 | 165.7 | 60.2 | -159.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1751 | F | 28.3 | Very low | 30.2 | Very low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | trans | 63.7 | 124.9 | 154.7 | -61.1 | -67.4 | 0 | 0 | 0 | 116.2 | N1749 | N1749-F1751 HydrophobicContact CB-CD2 3.8Å; N1749-F1751 HydrophobicContact CB-CE2 3.97Å; N1749-F1751 WeakPolarHBondContact OD1-CE2 3.28Å | ||
| 1752 | R | 26.5 | Very low | 30.1 | Very low | 217 Ų | 217 | 133.5 Ų | 133.5 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | 154.6 | 124.1 | 100.2 | -109.6 | -179.9 | 170.8 | -148.5 | 0.8 | 110.1 | Q2185 | R1752-Q2185 PolarHBondContact O-OE1 2.79Š| |||
| 1753 | T | 28.8 | Very low | 30.1 | Very low | 95 Ų | 95 | 133 Ų | 133 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | -169.8 | 143.1 | 86.3 | 37.2 | 0 | 0 | 0 | 0 | 110.5 | F1755 M2187 | T1753-F1755 HydrophobicContact CG2-CE2 4.37Å; T1753-M2187 HydrophobicContact CG2-CE 4.33Å; T1753-M2187 HydrophobicContact CG2-SD 4.33Å; T1753-M2187 WeakPolarHBondContact OG1-CG 3.47Å | |||
| 1754 | N | 30.3 | Very low | 29.9 | Very low | 127.8 Ų | 127.8 | 136.3 Ų | 136.3 | 68% | 0.683 | 72% | 0.715 | S | S | * | * | 112.1 | 120.4 | 53.8 | -72.4 | -16.6 | 0 | 0 | 0 | 112.8 | M2187 | N1754-M2187 HydrophobicContact CB-CG 4.27Å; N1754-M2187 HydrophobicContact CB-SD 3.73Å; N1754-M2187 PolarHBondContact ND2-SD 3.24Å; N1754-M2187 WeakPolarHBondContact O-CA 3.36Å; N1754-M2187 PolarHBondContact O-N 3.07Å | |||
| 1755 | F | 26.7 | Very low | 29.7 | Very low | 157.8 Ų | 157.8 | 136.8 Ų | 136.8 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | 86.2 | 125.3 | 111.1 | -84.2 | -85.5 | 0 | 0 | 0 | 114.8 | T1753 M2187 Y2188 G2189 A2190 | T1753-F1755 HydrophobicContact CG2-CE2 4.37Å; F1755-M2187 HydrophobicContact CD2-SD 4.21Å; F1755-Y2188 WeakPolarHBondContact CB-O 3.49Å; F1755-Y2188 VanDerWaalsContact CD2-C 3.41Å; F1755-Y2188 WeakPolarHBondContact CG-O 3.23Å; F1755-G2189 WeakPolarHBondContact CE1-O 3.26Å; F1755-G2189 VanDerWaalsContact CZ-C 3.44Å; F1755-G2189 VanDerWaalsContact CZ-CA 3.47Å; F1755-A2190 HydrophobicContact CE1-CB 3.78Å; F1755-A2190 HydrophobicContact CZ-CB 3.8Å | |||
| 1756 | I | 27.9 | Very low | 29.4 | Very low | 132.6 Ų | 132.6 | 140.5 Ų | 140.5 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | 84.6 | 114.6 | 113.9 | -61 | 167.4 | 0 | 0 | 0 | 113.6 | |||||
| 1757 | Q | 27.7 | Very low | 29.3 | Very low | 170.8 Ų | 170.8 | 140.6 Ų | 140.6 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | 121 | 128.9 | 83.4 | -159 | 158 | -19.4 | 0 | 0 | 114.3 | |||||
| 1758 | S | 29.2 | Very low | 29.2 | Very low | 110.4 Ų | 110.4 | 137.4 Ų | 137.4 | 77% | 0.772 | 72% | 0.724 | S | S | * | * | trans | 171.6 | 131.9 | 144.1 | -1.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1759 | V | 30.5 | Very low | 29.3 | Very low | 126.8 Ų | 126.8 | 136.4 Ų | 136.4 | 77% | 0.768 | 73% | 0.728 | S | S | * | * | trans | -106.9 | 146.6 | 156.4 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | N1761 | V1759-N1761 HydrophobicContact CG1-CB 4.32Å; V1759-N1761 PolarHBondContact O-N 3.09Å | ||
| 1760 | P | 34 | Very low | 29.3 | Very low | 112.4 Ų | 112.4 | 136.9 Ų | 136.9 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | cis | -122.9 | 163.8 | 41.9 | 26.5 | -6.9 | 0 | 0 | 0 | 114.6 | ||||
| 1761 | N | 27.2 | Very low | 29.1 | Very low | 128.4 Ų | 128.4 | 138.2 Ų | 138.2 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | 58.6 | 133 | 116.2 | -78.9 | 12.2 | 0 | 0 | 0 | 116.3 | V1759 | V1759-N1761 HydrophobicContact CG1-CB 4.32Å; V1759-N1761 PolarHBondContact O-N 3.09Å | |||
| 1762 | D | 30 | Very low | 29 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 102.1 | 144.3 | 113 | -71.8 | -34 | 0 | 0 | 0 | 118.1 | |||||
| 1763 | T | 30.8 | Very low | 29.1 | Very low | 104.8 Ų | 104.8 | 133.4 Ų | 133.4 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | 176.5 | 129.5 | 88.9 | -86.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1764 | Y | 28.6 | Very low | 29.1 | Very low | 200.2 Ų | 200.2 | 139.5 Ų | 139.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 69.3 | 148.1 | 147.2 | -76.8 | -109.2 | 0 | 0 | 0 | 122.1 | G1622 | G1622-Y1764 VanDerWaalsContact O-CD1 3.29Å; G1622-Y1764 WeakPolarHBondContact O-CD1 3.42Å | ||
| 1765 | I | 29.2 | Very low | 29.2 | Very low | 137.8 Ų | 137.8 | 140.1 Ų | 140.1 | 71% | 0.707 | 75% | 0.754 | S | S | * | * | 120.8 | 134.3 | 107.4 | -69.6 | 179.9 | 0 | 0 | 0 | 116.1 | G1621 G1622 | G1621-I1765 WeakPolarHBondContact O-CG1 3.41Å; G1622-I1765 PolarHBondContact O-N 2.98Å | |||
| 1766 | R | 27.2 | Very low | 29.3 | Very low | 210.6 Ų | 210.6 | 139.5 Ų | 139.5 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | -178.1 | 136.9 | 127.7 | -168.2 | -172.6 | -176.8 | -174 | 2.9 | 114 | G1620 G1621 | G1620-R1766 VanDerWaalsContact C-NH1 3.27Å; G1620-R1766 WeakPolarHBondContact O-CD 3.48Å; G1620-R1766 PolarHBondContact O-NH1 3.24Å; G1621-R1766 WeakPolarHBondContact O-CB 3.49Å; G1621-R1766 WeakPolarHBondContact O-CD 3.4Å | |||
| 1767 | S | 30 | Very low | 29.6 | Very low | 107.6 Ų | 107.6 | 138.2 Ų | 138.2 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 151.4 | 150.9 | 138.7 | -73.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1768 | G | 28.6 | Very low | 29.8 | Very low | 67.2 Ų | 67.2 | 139 Ų | 139 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | cis | 142.5 | 99.7 | 7.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1769 | S | 33.4 | Very low | 29.9 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 157.8 | 145.3 | 146.1 | 62 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1770 | N | 28.6 | Very low | 29.7 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | 62.4 | 128.9 | 125.7 | -71.8 | 3.1 | 0 | 0 | 0 | 114.5 | |||||
| 1771 | C | 26.8 | Very low | 29.7 | Very low | 117.4 Ų | 117.4 | 147 Ų | 147 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | -168.3 | 141.9 | 118.8 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1772 | E | 26.6 | Very low | 29.9 | Very low | 180.4 Ų | 180.4 | 146.5 Ų | 146.5 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -73.7 | 146.6 | 162.3 | -70 | 174.4 | 106 | 0 | 0 | 115.3 | ||||
| 1773 | S | 29.5 | Very low | 30 | Very low | 105.4 Ų | 105.4 | 145.6 Ų | 145.6 | 74% | 0.737 | 77% | 0.765 | S | S | * | * | trans | -168.7 | 153.7 | 130.7 | 95.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1774 | R | 28.4 | Very low | 30.2 | Very low | 222.4 Ų | 222.4 | 146.1 Ų | 146.1 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 109.8 | 141.2 | 161.9 | -75.5 | 174.9 | 160.5 | 144.5 | -4.2 | 114 | ||||
| 1775 | N | 31.8 | Very low | 30.3 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | -168.3 | 147 | 86.6 | -95.5 | -0.7 | 0 | 0 | 0 | 112.2 | |||||
| 1776 | D | 30 | Very low | 30.6 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -99.1 | 146.1 | 162.9 | -74.5 | -59 | 0 | 0 | 0 | 112.6 | ||||
| 1777 | S | 34 | Very low | 30.7 | Very low | 105.6 Ų | 105.6 | 141.6 Ų | 141.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | -154.2 | 136.9 | 102.2 | 56 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1778 | K | 31 | Very low | 30.8 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -33.6 | 142.2 | 166 | -62.2 | 163.5 | -179.8 | 166.9 | 0 | 114.5 | ||||
| 1779 | F | 31.7 | Very low | 30.8 | Very low | 182.4 Ų | 182.4 | 145.9 Ų | 145.9 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | -146.7 | 138.9 | 114.4 | -109.5 | -79.2 | 0 | 0 | 0 | 111.5 | Y1781 | F1779-Y1781 AromaticContact CD1-CD2 3.91Å; F1779-Y1781 HydrophobicContact CD1-CD2 4.18Å; F1779-Y1781 AromaticContact CD1-CE2 3.49Å; F1779-Y1781 HydrophobicContact CD1-CE2 3.93Å; F1779-Y1781 VanDerWaalsContact CD1-CE2 3.49Å; F1779-Y1781 HydrophobicContact CE1-CD2 4.36Å; F1779-Y1781 AromaticContact CE1-CE2 3.49Å; F1779-Y1781 HydrophobicContact CE1-CE2 4.04Å; F1779-Y1781 VanDerWaalsContact CE1-CE2 3.49Å; F1779-Y1781 AromaticContact CE1-CZ 3.99Å | |||
| 1780 | N | 27.1 | Very low | 30.7 | Very low | 129.8 Ų | 129.8 | 145.8 Ų | 145.8 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | -116.1 | 140.5 | -173.7 | -85.1 | -36.8 | 0 | 0 | 0 | 110.2 | ||||
| 1781 | Y | 33.9 | Very low | 30.9 | Very low | 205.8 Ų | 205.8 | 146.3 Ų | 146.3 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -146.8 | 132.5 | 154.2 | -79.8 | -68.9 | 0 | 0 | 0 | 111.6 | F1779 | F1779-Y1781 AromaticContact CD1-CD2 3.91Å; F1779-Y1781 HydrophobicContact CD1-CD2 4.18Å; F1779-Y1781 AromaticContact CD1-CE2 3.49Å; F1779-Y1781 HydrophobicContact CD1-CE2 3.93Å; F1779-Y1781 VanDerWaalsContact CD1-CE2 3.49Å; F1779-Y1781 HydrophobicContact CE1-CD2 4.36Å; F1779-Y1781 AromaticContact CE1-CE2 3.49Å; F1779-Y1781 HydrophobicContact CE1-CE2 4.04Å; F1779-Y1781 VanDerWaalsContact CE1-CE2 3.49Å; F1779-Y1781 AromaticContact CE1-CZ 3.99Å | ||
| 1782 | T | 31.4 | Very low | 31.1 | Very low | 116.6 Ų | 116.6 | 145.8 Ų | 145.8 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -124.7 | 140.9 | 145 | 42.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1783 | T | 31.9 | Very low | 31.3 | Very low | 123.6 Ų | 123.6 | 144.9 Ų | 144.9 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | 81.1 | 125.3 | 149.5 | -50.1 | 0 | 0 | 0 | 0 | 116.1 | K1785 | T1783-K1785 HydrophobicContact CG2-CG 4.37Š| ||
| 1784 | S | 33.3 | Very low | 31.4 | Very low | 115.6 Ų | 115.6 | 150.7 Ų | 150.7 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | -153.6 | 134.5 | 108.6 | 5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1785 | K | 31.7 | Very low | 31.3 | Very low | 191.8 Ų | 191.8 | 147.4 Ų | 147.4 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 125.1 | 156.3 | -68.3 | -179.6 | 179 | 177.9 | 0 | 113.6 | T1783 | T1783-K1785 HydrophobicContact CG2-CG 4.37Š| ||
| 1786 | I | 34.4 | Very low | 31.3 | Very low | 167.4 Ų | 167.4 | 148.5 Ų | 148.5 | 86% | 0.858 | 78% | 0.784 | S | S | * | * | trans | -156 | 110.9 | 143.6 | -78.3 | 161.9 | 0 | 0 | 0 | 106.1 | ||||
| 1787 | S | 29.4 | Very low | 31.2 | Very low | 93.8 Ų | 93.8 | 146.7 Ų | 146.7 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | 23.5 | 119.6 | 112.7 | -98.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1788 | M | 32.9 | Very low | 31 | Very low | 166.6 Ų | 166.6 | 148.4 Ų | 148.4 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | -167.2 | 160.1 | 100.8 | -96.7 | -57 | 103.9 | 0 | 0 | 109.8 | |||||
| 1789 | S | 29.8 | Very low | 31 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -110 | 130.1 | -158.8 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1790 | S | 31.4 | Very low | 31 | Very low | 112.8 Ų | 112.8 | 140.4 Ų | 140.4 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | 156.3 | 145.1 | 135.4 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1791 | L | 32.1 | Very low | 31.3 | Very low | 161.6 Ų | 161.6 | 136.9 Ų | 136.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -128.3 | 156.8 | 158.1 | -82 | 160.6 | 0 | 0 | 0 | 111.4 | I1793 | L1791-I1793 PolarHBondContact O-N 2.95Š| ||
| 1792 | P | 30.6 | Very low | 31.5 | Very low | 107.2 Ų | 107.2 | 132.5 Ų | 132.5 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -96.7 | 134.7 | -134.7 | 33.9 | -32.5 | 0 | 0 | 0 | 114.4 | R1794 | P1792-R1794 VanDerWaalsContact C-N 3.27Å; P1792-R1794 PolarHBondContact O-N 3.23Å; P1792-R1794 VanDerWaalsContact O-N 3.15Å | ||
| 1793 | I | 30.6 | Very low | 31.6 | Very low | 160.2 Ų | 160.2 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -69.9 | 117.9 | 164.1 | -60.9 | 168.7 | 0 | 0 | 0 | 108.8 | L1791 N1795 | L1791-I1793 PolarHBondContact O-N 2.95Å; I1793-N1795 PolarHBondContact O-N 2.93Å | ||
| 1794 | R | 31.5 | Very low | 31.8 | Very low | 228.4 Ų | 228.4 | 141.7 Ų | 141.7 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 125.7 | 163.4 | -89.7 | -173.6 | -167.8 | -170.1 | -0.1 | 110 | P1792 L1796 | P1792-R1794 VanDerWaalsContact C-N 3.27Å; P1792-R1794 PolarHBondContact O-N 3.23Å; P1792-R1794 VanDerWaalsContact O-N 3.15Å; R1794-L1796 PolarHBondContact O-N 3.03Å | ||
| 1795 | N | 26.7 | Very low | 32.1 | Very low | 151.2 Ų | 151.2 | 142.6 Ų | 142.6 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | trans | -59.2 | 128.7 | 176.1 | -68.1 | -37 | 0 | 0 | 0 | 111.4 | I1793 S1797 | I1793-N1795 PolarHBondContact O-N 2.93Å; N1795-S1797 VanDerWaalsContact C-N 3.35Å | ||
| 1796 | L | 31.1 | Very low | 32.5 | Very low | 164.8 Ų | 164.8 | 143.6 Ų | 143.6 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | -126.7 | 73 | 164.8 | -150.9 | 77 | 0 | 0 | 0 | 110.4 | R1794 T1798 A1799 | R1794-L1796 PolarHBondContact O-N 3.03Å; L1796-T1798 PolarHBondContact O-N 2.84Å; L1796-A1799 HydrophobicContact CD1-CB 4.28Å; L1796-A1799 HydrophobicContact CD2-CB 3.8Å; L1796-A1799 HydrophobicContact CG-CB 3.74Å | ||
| 1797 | S | 28.1 | Very low | 33.1 | Very low | 108.8 Ų | 108.8 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -104.2 | 82.7 | 176.5 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | N1795 | N1795-S1797 VanDerWaalsContact C-N 3.35Š| ||
| 1798 | T | 30.5 | Very low | 33.7 | Very low | 140.2 Ų | 140.2 | 137.9 Ų | 137.9 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -175.5 | 75.3 | 166.8 | -7 | 0 | 0 | 0 | 0 | 112.7 | L1796 | L1796-T1798 PolarHBondContact O-N 2.84Š| ||
| 1799 | A | 31.2 | Very low | 34.4 | Very low | 87.2 Ų | 87.2 | 137.5 Ų | 137.5 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -159.5 | 89.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1796 G1801 | L1796-A1799 HydrophobicContact CD1-CB 4.28Å; L1796-A1799 HydrophobicContact CD2-CB 3.8Å; L1796-A1799 HydrophobicContact CG-CB 3.74Å; A1799-G1801 PolarHBondContact O-N 3.25Å | ||
| 1800 | A | 31.6 | Very low | 35 | Very low | 114.4 Ų | 114.4 | 138.8 Ų | 138.8 | 95% | 0.945 | 74% | 0.741 | S | S | * | * | trans | -64.7 | 108.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1801 | G | 33.7 | Very low | 35.8 | Very low | 56.8 Ų | 56.8 | 138.6 Ų | 138.6 | 59% | 0.586 | 74% | 0.739 | S | S | * | * | trans | -159.2 | 128.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1799 Y1803 | A1799-G1801 PolarHBondContact O-N 3.25Å; G1801-Y1803 PolarHBondContact O-N 3.3Å | ||
| 1802 | P | 37.2 | Very low | 36.8 | Very low | 113.8 Ų | 113.8 | 138.3 Ų | 138.3 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | trans | -71.3 | 139.7 | -173.2 | 28.5 | -34.4 | 0 | 0 | 0 | 112.5 | R1804 | P1802-R1804 VanDerWaalsContact C-N 3.34Å; P1802-R1804 PolarHBondContact O-N 3.01Å | ||
| 1803 | Y | 34.8 | Very low | 37.9 | Very low | 213.6 Ų | 213.6 | 137.9 Ų | 137.9 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | -26.2 | 51.6 | 175.9 | -59.4 | -75.7 | 0 | 0 | 0 | 115.7 | G1801 L1805 | G1801-Y1803 PolarHBondContact O-N 3.3Å; Y1803-L1805 VanDerWaalsContact C-N 3.35Å; Y1803-L1805 PolarHBondContact O-N 3.37Å | ||
| 1804 | R | 35.1 | Very low | 39 | Very low | 220.2 Ų | 220.2 | 139.8 Ų | 139.8 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | trans | -74.5 | 99.2 | 151.9 | -85.6 | -168.1 | 169.2 | -167.5 | -3.6 | 108.7 | P1802 R1806 | P1802-R1804 VanDerWaalsContact C-N 3.34Å; P1802-R1804 PolarHBondContact O-N 3.01Å; R1804-R1806 VanDerWaalsContact C-N 3.31Å; R1804-R1806 HydrophobicContact CB-CB 4.49Å; R1804-R1806 PolarHBondContact O-N 3.09Å | ||
| 1805 | L | 39.8 | Very low | 40.3 | Very low | 132.8 Ų | 132.8 | 138.1 Ų | 138.1 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -60.9 | 92.3 | 165.5 | -77.6 | 170.3 | 0 | 0 | 0 | 109.4 | Y1803 I1807 | Y1803-L1805 VanDerWaalsContact C-N 3.35Å; Y1803-L1805 PolarHBondContact O-N 3.37Å; L1805-I1807 HydrophobicContact CB-CD1 4.3Å; L1805-I1807 HydrophobicContact CB-CG1 4.09Å; L1805-I1807 HydrophobicContact CD2-CD1 4.44Å; L1805-I1807 HydrophobicContact CD2-CG1 4.44Å; L1805-I1807 PolarHBondContact O-N 3.19Å | ||
| 1806 | R | 39.1 | Very low | 41.9 | Very low | 214.8 Ų | 214.8 | 133.8 Ų | 133.8 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | -80 | 66 | -179.7 | -147.8 | -166.6 | -61.9 | -142.7 | 3.1 | 109.9 | R1804 G1808 | R1804-R1806 VanDerWaalsContact C-N 3.31Å; R1804-R1806 HydrophobicContact CB-CB 4.49Å; R1804-R1806 PolarHBondContact O-N 3.09Å; R1806-G1808 VanDerWaalsContact C-N 3.27Å; R1806-G1808 CarbonylContact C-O 3.52Å; R1806-G1808 PolarHBondContact O-N 3.05Å; R1806-G1808 VanDerWaalsContact O-O 3.09Å | ||
| 1807 | I | 48.9 | Very low | 43.4 | Very low | 104.6 Ų | 104.6 | 130.6 Ų | 130.6 | 54% | 0.536 | 69% | 0.691 | S | S | . | * | trans | -69.6 | 79.5 | 169.1 | -56.8 | 170.6 | 0 | 0 | 0 | 108 | L1805 W1809 | L1805-I1807 HydrophobicContact CB-CD1 4.3Å; L1805-I1807 HydrophobicContact CB-CG1 4.09Å; L1805-I1807 HydrophobicContact CD2-CD1 4.44Å; L1805-I1807 HydrophobicContact CD2-CG1 4.44Å; L1805-I1807 PolarHBondContact O-N 3.19Å; I1807-W1809 VanDerWaalsContact C-N 3.32Å; I1807-W1809 HydrophobicContact CG2-CD2 4.16Å; I1807-W1809 HydrophobicContact CG2-CG 4.25Å; I1807-W1809 HydrophobicContact CG2-CZ2 4.11Å; I1807-W1809 PolarHBondContact O-N 2.95Å; I1807-W1809 VanDerWaalsContact O-N 3.16Å | ||
| 1808 | G | 41.5 | Very low | 45.4 | Very low | 35.6 Ų | 35.6 | 128.9 Ų | 128.9 | 37% | 0.367 | 68% | 0.677 | S | S | . | * | trans | -77.8 | 112.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1806 H1810 | R1806-G1808 VanDerWaalsContact C-N 3.27Å; R1806-G1808 CarbonylContact C-O 3.52Å; R1806-G1808 PolarHBondContact O-N 3.05Å; R1806-G1808 VanDerWaalsContact O-O 3.09Å; G1808-H1810 PolarHBondContact O-CD2 3.09Å; G1808-H1810 PolarHBondContact O-N 3.15Å; G1808-H1810 VanDerWaalsContact O-N 3.12Å | ||
| 1809 | W | 47.4 | Very low | 47.5 | Very low | 159.4 Ų | 159.4 | 125.4 Ų | 125.4 | 60% | 0.604 | 65% | 0.651 | S | S | * | * | trans | -53.4 | 103.2 | 172.7 | -68.8 | 92.3 | 0 | 0 | 0 | 110.9 | D1174 I1807 S1811 L1813 R1815 P1816 | D1174-W1809 HydrophobicContact CB-CZ2 4.19Å; D1174-W1809 PolarHBondContact OD2-NE1 3.09Å; I1807-W1809 VanDerWaalsContact C-N 3.32Å; I1807-W1809 HydrophobicContact CG2-CD2 4.16Å; I1807-W1809 HydrophobicContact CG2-CG 4.25Å; I1807-W1809 HydrophobicContact CG2-CZ2 4.11Å; I1807-W1809 PolarHBondContact O-N 2.95Å; I1807-W1809 VanDerWaalsContact O-N 3.16Å; W1809-S1811 PolarHBondContact O-N 3.21Å; W1809-L1813 HydrophobicContact CE3-CB 4.01Å; W1809-L1813 HydrophobicContact CE3-CD1 4.09Å; W1809-L1813 HydrophobicContact CZ3-CB 4.48Å; W1809-L1813 HydrophobicContact CZ3-CD1 4.3Å; W1809-R1815 HydrophobicContact CD2-CB 4.34Å; W1809-R1815 HydrophobicContact CG-CB 4.11Å; W1809-P1816 HydrophobicContact CH2-CG 3.64Å; W1809-P1816 HydrophobicContact CZ2-CB 4.23Å; W1809-P1816 HydrophobicContact CZ2-CG 3.87Å; W1809-P1816 HydrophobicContact CZ3-CG 4.28Å | ||
| 1810 | H | 42.5 | Very low | 49.6 | Very low | 126.8 Ų | 126.8 | 126.3 Ų | 126.3 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | trans | -62.7 | 130.8 | 179 | -65.6 | -75.9 | 0 | 0 | 0 | 110.5 | G1808 H1812 L1813 | G1808-H1810 PolarHBondContact O-CD2 3.09Å; G1808-H1810 PolarHBondContact O-N 3.15Å; G1808-H1810 VanDerWaalsContact O-N 3.12Å; H1810-H1812 VanDerWaalsContact C-N 3.34Å; H1810-H1812 AromaticContact CD2-CE1 3.97Å; H1810-H1812 PolarHBondContact O-N 2.99Å; H1810-L1813 HydrophobicContact CB-CD1 4.37Å; H1810-L1813 HydrophobicContact CB-CG 4.43Å; H1810-L1813 PolarHBondContact O-N 3.27Å | ||
| 1811 | S | 48.5 | Very low | 52.1 | Low | 107.4 Ų | 107.4 | 123.1 Ų | 123.1 | 75% | 0.751 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.2 | -11 | 179.9 | 43 | 0 | 0 | 0 | 0 | 117.1 | W1809 L1813 | W1809-S1811 PolarHBondContact O-N 3.21Å; S1811-L1813 PolarHBondContact O-N 3.4Å |
| 1812 | H | 53 | Low | 54.6 | Low | 157 Ų | 157 | 121.9 Ų | 121.9 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -8.8 | -179.2 | -57.3 | -86.9 | 0 | 0 | 0 | 114.4 | H1810 K1814 M2346 | H1810-H1812 VanDerWaalsContact C-N 3.34Å; H1810-H1812 AromaticContact CD2-CE1 3.97Å; H1810-H1812 PolarHBondContact O-N 2.99Å; H1812-K1814 PolarHBondContact O-N 3.09Å; H1812-M2346 PolarHBondContact CE1-O 3.41Å; H1812-M2346 PolarHBondContact NE2-O 2.9Å |
| 1813 | L | 53.1 | Low | 57 | Low | 97.6 Ų | 97.6 | 121 Ų | 121 | 51% | 0.511 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -88.9 | 107.3 | 172.2 | -66.7 | 177 | 0 | 0 | 0 | 109.6 | W1809 H1810 S1811 R1815 | W1809-L1813 HydrophobicContact CE3-CB 4.01Å; W1809-L1813 HydrophobicContact CE3-CD1 4.09Å; W1809-L1813 HydrophobicContact CZ3-CB 4.48Å; W1809-L1813 HydrophobicContact CZ3-CD1 4.3Å; H1810-L1813 HydrophobicContact CB-CD1 4.37Å; H1810-L1813 HydrophobicContact CB-CG 4.43Å; H1810-L1813 PolarHBondContact O-N 3.27Å; S1811-L1813 PolarHBondContact O-N 3.4Å; L1813-R1815 PolarHBondContact O-N 3.06Å |
| 1814 | K | 53.6 | Low | 59.6 | Low | 201.4 Ų | 201.4 | 113.1 Ų | 113.1 | 88% | 0.876 | 56% | 0.564 | S | S | * | * | trans | -57.3 | 114.9 | 172.1 | -156.6 | 177.6 | -176.3 | 178.1 | 0 | 108.5 | H1812 | H1812-K1814 PolarHBondContact O-N 3.09Š| ||
| 1815 | R | 58.5 | Low | 62.2 | Low | 191 Ų | 191 | 104.2 Ų | 104.2 | 72% | 0.721 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -51 | 130.4 | -179.4 | -94.2 | -179 | -87.8 | -154.6 | -1 | 109.4 | D1174 W1809 L1813 | D1174-R1815 IonicContact OD1-CZ 3.63Å; D1174-R1815 IonicContact OD1-NE 3.67Å; D1174-R1815 PolarHBondContact OD1-NE 3.33Å; D1174-R1815 IonicContact OD1-NH2 2.6Å; D1174-R1815 PolarHBondContact OD1-NH2 2.89Å; D1174-R1815 IonicContact OD2-CZ 2.73Å; D1174-R1815 IonicContact OD2-NE 2.73Å; D1174-R1815 PolarHBondContact OD2-NE 3.47Å; D1174-R1815 IonicContact OD2-NH2 2.64Å; D1174-R1815 PolarHBondContact OD2-NH2 3Å; W1809-R1815 HydrophobicContact CD2-CB 4.34Å; W1809-R1815 HydrophobicContact CG-CB 4.11Å; L1813-R1815 PolarHBondContact O-N 3.06Å |
| 1816 | P | 59.9 | Low | 64.6 | Low | 61.8 Ų | 61.8 | 97.9 Ų | 97.9 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 149.1 | 172.9 | 6 | -7.7 | 0 | 0 | 0 | 110.1 | R1300 W1809 | R1300-P1816 HydrophobicContact CB-CB 4.09Å; R1300-P1816 HydrophobicContact CB-CG 4.25Å; R1300-P1816 WeakPolarHBondContact CD-O 3.29Å; R1300-P1816 PolarHBondContact NH1-O 3.06Å; W1809-P1816 HydrophobicContact CH2-CG 3.64Å; W1809-P1816 HydrophobicContact CZ2-CB 4.23Å; W1809-P1816 HydrophobicContact CZ2-CG 3.87Å; W1809-P1816 HydrophobicContact CZ3-CG 4.28Å |
| 1817 | P | 62.5 | Low | 67.1 | Low | 97.8 Ų | 97.8 | 93.6 Ų | 93.6 | 64% | 0.635 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 153.1 | 168.1 | 27.4 | -34.6 | 0 | 0 | 0 | 109.5 | Q1819 | P1817-Q1819 PolarHBondContact O-N 3.19Å; P1817-Q1819 VanDerWaalsContact O-N 3.14Å |
| 1818 | P | 70.3 | Confident | 69.1 | Low | 72.4 Ų | 72.4 | 91.4 Ų | 91.4 | 47% | 0.47 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 144.8 | 169.5 | 16.7 | -21.9 | 0 | 0 | 0 | 109.4 | Y1346 | Y1346-P1818 HydrophobicContact CE1-CB 4.21Å; Y1346-P1818 HydrophobicContact CE1-CG 3.81Å; Y1346-P1818 WeakPolarHBondContact OH-CG 3.4Å |
| 1819 | Q | 74.6 | Confident | 71.5 | Confident | 67.8 Ų | 67.8 | 90.2 Ų | 90.2 | 32% | 0.317 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -54 | 138 | 179.5 | -76.8 | 177.2 | -3.8 | 0 | 0 | 110.1 | S1299 V1301 Y1347 P1817 L1821 | S1299-Q1819 VanDerWaalsContact O-CG 3.26Å; S1299-Q1819 WeakPolarHBondContact O-CG 3.4Å; S1299-Q1819 PolarHBondContact O-NE2 3.03Å; S1299-Q1819 VanDerWaalsContact O-NE2 3.16Å; S1299-Q1819 PolarHBondContact OG-NE2 3.3Å; V1301-Q1819 PolarHBondContact O-NE2 2.83Å; Y1347-Q1819 WeakPolarHBondContact CE1-O 3.38Å; Y1347-Q1819 PolarHBondContact OH-O 3.37Å; P1817-Q1819 PolarHBondContact O-N 3.19Å; P1817-Q1819 VanDerWaalsContact O-N 3.14Å; Q1819-L1821 PolarHBondContact O-N 3.13Å |
| 1820 | P | 76.9 | Confident | 73.7 | Confident | 105.4 Ų | 105.4 | 84 Ų | 84 | 68% | 0.684 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 146.8 | 169.2 | 28.8 | -34.3 | 0 | 0 | 0 | 108.8 | S1822 | P1820-S1822 PolarHBondContact O-N 3.37Š|
| 1821 | L | 83.3 | Confident | 76 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 138.5 | 174.9 | -172.3 | 60.9 | 0 | 0 | 0 | 109.5 | Y1347 Q1819 M1825 L1878 R1881 L1882 | Y1347-L1821 HydrophobicContact CD1-CB 4.32Å; Y1347-L1821 HydrophobicContact CD1-CD1 4.08Å; Q1819-L1821 PolarHBondContact O-N 3.13Å; L1821-M1825 HydrophobicContact CD1-CB 4.46Å; L1821-M1825 HydrophobicContact CD1-CE 4.14Å; L1821-M1825 HydrophobicContact CD1-CG 4.46Å; L1821-M1825 HydrophobicContact CD1-SD 3.93Å; L1821-L1878 HydrophobicContact CD1-CB 4.17Å; L1821-L1878 HydrophobicContact CD1-CD1 4.37Å; L1821-L1878 HydrophobicContact CD1-CD2 3.88Å; L1821-L1878 HydrophobicContact CD1-CG 4.37Å; L1821-L1878 HydrophobicContact CD2-CD2 4.42Å; L1821-R1881 HydrophobicContact CD2-CB 3.55Å; L1821-R1881 VanDerWaalsContact CD2-CB 3.42Å; L1821-R1881 HydrophobicContact CD2-CG 4.46Å; L1821-L1882 HydrophobicContact CB-CD2 4.15Å; L1821-L1882 HydrophobicContact CD2-CD1 4.48Å; L1821-L1882 HydrophobicContact CD2-CD2 4.12Å; L1821-L1882 HydrophobicContact CD2-CG 4.02Å; L1821-L1882 HydrophobicContact CG-CD1 4.22Å; L1821-L1882 HydrophobicContact CG-CD2 3.86Å; L1821-L1882 HydrophobicContact CG-CG 3.97Å; L1821-L1882 WeakPolarHBondContact O-CD2 3.43Å |
| 1822 | S | 85.6 | Confident | 78.2 | Confident | 31.4 Ų | 31.4 | 79 Ų | 79 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | trans | -141.4 | 152.5 | -175.7 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | E1303 P1820 S1824 M1825 A1826 L1882 | E1303-S1822 PolarHBondContact OE1-OG 2.87Å; E1303-S1822 VanDerWaalsContact OE2-CB 3.28Å; E1303-S1822 WeakPolarHBondContact OE2-CB 3.39Å; E1303-S1822 PolarHBondContact OE2-OG 3.14Å; P1820-S1822 PolarHBondContact O-N 3.37Å; S1822-S1824 PolarHBondContact O-N 2.92Å; S1822-M1825 WeakPolarHBondContact O-CB 3.37Å; S1822-M1825 PolarHBondContact O-N 3Å; S1822-M1825 PolarHBondContact OG-N 2.88Å; S1822-A1826 PolarHBondContact O-N 3Å; S1822-L1882 VanDerWaalsContact C-CD1 3.45Å; S1822-L1882 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1823 | D | 88.1 | Confident | 80.2 | Confident | 94.8 Ų | 94.8 | 71.5 Ų | 71.5 | 51% | 0.507 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.5 | -33.8 | -179.8 | -63.1 | -63.9 | 0 | 0 | 0 | 112.3 | M1825 A1826 F1827 F1879 L1882 | D1823-M1825 VanDerWaalsContact C-N 3.31Å; D1823-M1825 PolarHBondContact O-N 3.3Å; D1823-A1826 PolarHBondContact O-N 3.02Å; D1823-A1826 VanDerWaalsContact O-N 3.15Å; D1823-F1827 WeakPolarHBondContact O-CB 3.42Å; D1823-F1827 PolarHBondContact O-N 3.03Å; D1823-F1879 WeakPolarHBondContact OD1-CE2 3.47Å; D1823-L1882 HydrophobicContact CB-CD1 4.42Å; D1823-L1882 WeakPolarHBondContact OD1-CD1 3.34Å |
| 1824 | S | 89.1 | Confident | 82 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | E1303 R1314 S1822 A1826 F1827 H1828 | E1303-S1824 VanDerWaalsContact OE1-CB 3.28Å; E1303-S1824 WeakPolarHBondContact OE1-CB 3.18Å; E1303-S1824 PolarHBondContact OE1-OG 2.92Å; R1314-S1824 VanDerWaalsContact NH1-CB 3.34Å; R1314-S1824 PolarHBondContact NH1-OG 3.38Å; S1822-S1824 PolarHBondContact O-N 2.92Å; S1824-A1826 VanDerWaalsContact C-N 3.35Å; S1824-A1826 PolarHBondContact O-N 3.41Å; S1824-F1827 PolarHBondContact O-N 3.08Å; S1824-H1828 VanDerWaalsContact O-CB 3.29Å; S1824-H1828 WeakPolarHBondContact O-CB 3.32Å; S1824-H1828 PolarHBondContact O-CD2 3.14Å; S1824-H1828 VanDerWaalsContact O-CD2 3.32Å; S1824-H1828 PolarHBondContact O-N 3.05Å; S1824-H1828 PolarHBondContact OG-CD2 3.07Å; S1824-H1828 VanDerWaalsContact OG-CD2 3.25Å; S1824-H1828 PolarHBondContact OG-NE2 3.08Å |
| 1825 | M | 89.1 | Confident | 83.8 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 16% | 0.163 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 175.6 | -131.2 | 179.1 | -20.4 | 0 | 0 | 112.1 | K1298 Y1347 L1821 S1822 D1823 A1829 L1878 | K1298-M1825 HydrophobicContact CD-CE 4.43Å; Y1347-M1825 HydrophobicContact CD1-CE 4.24Å; Y1347-M1825 HydrophobicContact CD1-SD 3.74Å; Y1347-M1825 HydrophobicContact CD2-SD 4.32Å; Y1347-M1825 HydrophobicContact CE1-CE 3.69Å; Y1347-M1825 HydrophobicContact CE1-SD 3.82Å; Y1347-M1825 HydrophobicContact CE2-SD 4.36Å; Y1347-M1825 HydrophobicContact CG-SD 4.05Å; L1821-M1825 HydrophobicContact CD1-CB 4.46Å; L1821-M1825 HydrophobicContact CD1-CE 4.14Å; L1821-M1825 HydrophobicContact CD1-CG 4.46Å; L1821-M1825 HydrophobicContact CD1-SD 3.93Å; S1822-M1825 WeakPolarHBondContact O-CB 3.37Å; S1822-M1825 PolarHBondContact O-N 3Å; S1822-M1825 PolarHBondContact OG-N 2.88Å; D1823-M1825 VanDerWaalsContact C-N 3.31Å; D1823-M1825 PolarHBondContact O-N 3.3Å; M1825-A1829 WeakPolarHBondContact O-CB 3.27Å; M1825-A1829 PolarHBondContact O-N 3.14Å; M1825-A1829 VanDerWaalsContact O-N 3.13Å; M1825-L1878 HydrophobicContact CB-CD1 4.12Å; M1825-L1878 HydrophobicContact CG-CD1 4.24Å; M1825-L1878 HydrophobicContact SD-CD1 4.48Å |
| 1826 | A | 90.9 | Very high | 85.4 | Confident | 0.2 Ų | 0.2 | 54.7 Ų | 54.7 | 0% | 0.002 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.7 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1822 D1823 S1824 H1828 A1829 F1830 L1878 F1879 L1882 | S1822-A1826 PolarHBondContact O-N 3Å; D1823-A1826 PolarHBondContact O-N 3.02Å; D1823-A1826 VanDerWaalsContact O-N 3.15Å; S1824-A1826 VanDerWaalsContact C-N 3.35Å; S1824-A1826 PolarHBondContact O-N 3.41Å; A1826-H1828 PolarHBondContact O-N 3.2Å; A1826-A1829 WeakPolarHBondContact O-CB 3.44Å; A1826-A1829 PolarHBondContact O-N 3.08Å; A1826-F1830 HydrophobicContact CB-CE2 4.24Å; A1826-F1830 WeakPolarHBondContact O-CD2 3.33Å; A1826-F1830 WeakPolarHBondContact O-CG 3.34Å; A1826-F1830 PolarHBondContact O-N 3.17Å; A1826-F1830 VanDerWaalsContact O-N 3.15Å; A1826-L1878 HydrophobicContact CB-CB 3.95Å; A1826-F1879 HydrophobicContact CB-CB 4.01Å; A1826-F1879 HydrophobicContact CB-CD2 4.41Å; A1826-L1882 HydrophobicContact CB-CD1 4.38Å |
| 1827 | F | 90.9 | Very high | 86.8 | Confident | 125.2 Ų | 125.2 | 53.4 Ų | 53.4 | 55% | 0.549 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.9 | -178.5 | -95 | 0 | 0 | 0 | 112.2 | D1823 S1824 A1829 F1830 Q1831 | D1823-F1827 WeakPolarHBondContact O-CB 3.42Å; D1823-F1827 PolarHBondContact O-N 3.03Å; S1824-F1827 PolarHBondContact O-N 3.08Å; F1827-A1829 VanDerWaalsContact C-N 3.31Å; F1827-A1829 PolarHBondContact O-N 3.09Å; F1827-F1830 WeakPolarHBondContact O-CB 3.25Å; F1827-F1830 PolarHBondContact O-N 3.18Å; F1827-F1830 VanDerWaalsContact O-N 3.1Å; F1827-Q1831 PolarHBondContact O-N 3.3Å |
| 1828 | H | 91.4 | Very high | 88.1 | Confident | 57.8 Ų | 57.8 | 54.7 Ų | 54.7 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.8 | -111.6 | -84.8 | 0 | 0 | 0 | 112.1 | R1314 E1317 D1318 S1824 A1826 F1830 Q1831 L1832 | R1314-H1828 VanDerWaalsContact C-NE2 3.28Å; R1314-H1828 WeakPolarHBondContact CB-NE2 3.36Å; R1314-H1828 PolarHBondContact O-CE1 3.01Å; R1314-H1828 PolarHBondContact O-NE2 3.29Å; E1317-H1828 IonicContact OE2-CE1 3.33Å; D1318-H1828 IonicContact OD1-CD2 2.86Å; D1318-H1828 IonicContact OD1-CE1 3.21Å; D1318-H1828 PolarHBondContact OD1-CE1 3.23Å; D1318-H1828 IonicContact OD1-ND1 3.06Å; D1318-H1828 PolarHBondContact OD1-ND1 3.13Å; D1318-H1828 IonicContact OD1-NE2 3.09Å; D1318-H1828 PolarHBondContact OD1-NE2 2.96Å; D1318-H1828 IonicContact OD2-CD2 3.74Å; D1318-H1828 PolarHBondContact OD2-CD2 3.11Å; D1318-H1828 IonicContact OD2-CE1 2.74Å; D1318-H1828 PolarHBondContact OD2-CE1 2.87Å; D1318-H1828 IonicContact OD2-ND1 3.54Å; D1318-H1828 IonicContact OD2-NE2 3.68Å; D1318-H1828 PolarHBondContact OD2-NE2 2.71Å; S1824-H1828 VanDerWaalsContact O-CB 3.29Å; S1824-H1828 WeakPolarHBondContact O-CB 3.32Å; S1824-H1828 PolarHBondContact O-CD2 3.14Å; S1824-H1828 VanDerWaalsContact O-CD2 3.32Å; S1824-H1828 PolarHBondContact O-N 3.05Å; S1824-H1828 PolarHBondContact OG-CD2 3.07Å; S1824-H1828 VanDerWaalsContact OG-CD2 3.25Å; S1824-H1828 PolarHBondContact OG-NE2 3.08Å; A1826-H1828 PolarHBondContact O-N 3.2Å; H1828-F1830 VanDerWaalsContact C-N 3.3Å; H1828-F1830 PolarHBondContact O-N 3.3Å; H1828-Q1831 PolarHBondContact O-N 3.11Å; H1828-Q1831 VanDerWaalsContact O-N 3.11Å; H1828-L1832 VanDerWaalsContact O-CB 3.24Å; H1828-L1832 WeakPolarHBondContact O-CB 3.3Å; H1828-L1832 PolarHBondContact O-N 3.04Å |
| 1829 | A | 92.8 | Very high | 88.8 | Confident | 9.8 Ų | 9.8 | 54.2 Ų | 54.2 | 8% | 0.081 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1825 A1826 F1827 L1832 A1833 V1871 Y1874 L1878 | M1825-A1829 WeakPolarHBondContact O-CB 3.27Å; M1825-A1829 PolarHBondContact O-N 3.14Å; M1825-A1829 VanDerWaalsContact O-N 3.13Å; A1826-A1829 WeakPolarHBondContact O-CB 3.44Å; A1826-A1829 PolarHBondContact O-N 3.08Å; F1827-A1829 VanDerWaalsContact C-N 3.31Å; F1827-A1829 PolarHBondContact O-N 3.09Å; A1829-L1832 PolarHBondContact O-N 3.15Å; A1829-A1833 WeakPolarHBondContact O-CB 3.41Å; A1829-A1833 PolarHBondContact O-N 3.12Å; A1829-A1833 VanDerWaalsContact O-N 3.09Å; A1829-V1871 WeakPolarHBondContact O-CG1 3.33Å; A1829-Y1874 HydrophobicContact CB-CD1 4.44Å; A1829-L1878 HydrophobicContact CB-CD1 4.47Å |
| 1830 | F | 92.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67 | -43 | 173 | -68.3 | -54.2 | 0 | 0 | 0 | 112.4 | A1826 F1827 H1828 L1832 A1833 E1834 R1872 G1875 L1876 F1879 N1894 | A1826-F1830 HydrophobicContact CB-CE2 4.24Å; A1826-F1830 WeakPolarHBondContact O-CD2 3.33Å; A1826-F1830 WeakPolarHBondContact O-CG 3.34Å; A1826-F1830 PolarHBondContact O-N 3.17Å; A1826-F1830 VanDerWaalsContact O-N 3.15Å; F1827-F1830 WeakPolarHBondContact O-CB 3.25Å; F1827-F1830 PolarHBondContact O-N 3.18Å; F1827-F1830 VanDerWaalsContact O-N 3.1Å; H1828-F1830 VanDerWaalsContact C-N 3.3Å; H1828-F1830 PolarHBondContact O-N 3.3Å; F1830-L1832 VanDerWaalsContact C-N 3.31Å; F1830-L1832 PolarHBondContact O-N 3.34Å; F1830-A1833 WeakPolarHBondContact O-CB 3.45Å; F1830-A1833 PolarHBondContact O-N 3.23Å; F1830-A1833 VanDerWaalsContact O-N 3.13Å; F1830-E1834 PolarHBondContact O-N 3.07Å; F1830-R1872 HydrophobicContact CD1-CG 3.99Å; F1830-R1872 HydrophobicContact CE1-CG 4.21Å; F1830-R1872 WeakPolarHBondContact CE1-O 3.39Å; F1830-G1875 VanDerWaalsContact CZ-C 3.48Å; F1830-L1876 HydrophobicContact CE1-CB 4.15Å; F1830-L1876 HydrophobicContact CZ-CB 4.15Å; F1830-L1876 HydrophobicContact CZ-CD1 4.48Å; F1830-F1879 HydrophobicContact CE2-CB 4.24Å; F1830-F1879 HydrophobicContact CE2-CG 4.43Å; F1830-F1879 HydrophobicContact CZ-CB 4.3Å; F1830-N1894 WeakPolarHBondContact CE1-ND2 3.45Å; F1830-N1894 VanDerWaalsContact CZ-ND2 3.34Å; F1830-N1894 WeakPolarHBondContact CZ-ND2 3.37Å |
| 1831 | Q | 92.7 | Very high | 89.1 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 179.1 | -168.9 | 134.8 | 29 | 0 | 0 | 112.2 | F1827 H1828 A1833 E1834 T1835 | F1827-Q1831 PolarHBondContact O-N 3.3Å; H1828-Q1831 PolarHBondContact O-N 3.11Å; H1828-Q1831 VanDerWaalsContact O-N 3.11Å; Q1831-A1833 VanDerWaalsContact C-N 3.34Å; Q1831-A1833 PolarHBondContact O-N 3.34Å; Q1831-E1834 PolarHBondContact O-N 3.22Å; Q1831-T1835 WeakPolarHBondContact O-CG2 3.3Å; Q1831-T1835 PolarHBondContact O-N 3.28Å; Q1831-T1835 PolarHBondContact O-OG1 3.16Å |
| 1832 | L | 94.3 | Very high | 88.3 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 171.4 | 179.6 | 59.3 | 0 | 0 | 0 | 111.3 | D1318 A1321 V1322 L1342 H1828 A1829 F1830 E1834 T1835 I1836 V1871 | D1318-L1832 HydrophobicContact CB-CD1 4.34Å; D1318-L1832 WeakPolarHBondContact OD1-CD2 3.39Å; D1318-L1832 WeakPolarHBondContact OD2-CA 3.35Å; D1318-L1832 WeakPolarHBondContact OD2-CB 3.28Å; A1321-L1832 HydrophobicContact CB-CD1 4.13Å; V1322-L1832 HydrophobicContact CG2-CD1 3.96Å; L1342-L1832 HydrophobicContact CD2-CD2 4.34Å; H1828-L1832 VanDerWaalsContact O-CB 3.24Å; H1828-L1832 WeakPolarHBondContact O-CB 3.3Å; H1828-L1832 PolarHBondContact O-N 3.04Å; A1829-L1832 PolarHBondContact O-N 3.15Å; F1830-L1832 VanDerWaalsContact C-N 3.31Å; F1830-L1832 PolarHBondContact O-N 3.34Å; L1832-E1834 VanDerWaalsContact C-N 3.33Å; L1832-E1834 PolarHBondContact O-N 3.2Å; L1832-T1835 WeakPolarHBondContact CA-OG1 3.45Å; L1832-T1835 PolarHBondContact O-N 3.07Å; L1832-T1835 PolarHBondContact O-OG1 3.14Å; L1832-T1835 VanDerWaalsContact O-OG1 3.08Å; L1832-I1836 HydrophobicContact CD1-CD1 3.81Å; L1832-I1836 HydrophobicContact CD1-CG1 4.14Å; L1832-I1836 HydrophobicContact CD2-CD1 4.47Å; L1832-I1836 HydrophobicContact CG-CD1 3.79Å; L1832-I1836 HydrophobicContact CG-CG1 4.42Å; L1832-I1836 WeakPolarHBondContact O-CB 3.4Å; L1832-I1836 WeakPolarHBondContact O-CD1 3.37Å; L1832-I1836 VanDerWaalsContact O-CG1 3.22Å; L1832-I1836 WeakPolarHBondContact O-CG1 3.38Å; L1832-I1836 PolarHBondContact O-N 3.17Å; L1832-V1871 HydrophobicContact CB-CG1 4.32Å; L1832-V1871 HydrophobicContact CD2-CG1 4.19Å; L1832-V1871 HydrophobicContact CG-CG1 4.24Å |
| 1833 | A | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1829 F1830 Q1831 R1837 S1868 V1871 R1872 | A1829-A1833 WeakPolarHBondContact O-CB 3.41Å; A1829-A1833 PolarHBondContact O-N 3.12Å; A1829-A1833 VanDerWaalsContact O-N 3.09Å; F1830-A1833 WeakPolarHBondContact O-CB 3.45Å; F1830-A1833 PolarHBondContact O-N 3.23Å; F1830-A1833 VanDerWaalsContact O-N 3.13Å; Q1831-A1833 VanDerWaalsContact C-N 3.34Å; Q1831-A1833 PolarHBondContact O-N 3.34Å; A1833-R1837 WeakPolarHBondContact O-CB 3.32Å; A1833-R1837 PolarHBondContact O-N 2.96Å; A1833-R1837 VanDerWaalsContact O-N 3.1Å; A1833-S1868 WeakPolarHBondContact CB-O 3.36Å; A1833-S1868 WeakPolarHBondContact O-CB 3.37Å; A1833-S1868 PolarHBondContact O-OG 3.34Å; A1833-V1871 HydrophobicContact CB-CB 4.1Å; A1833-V1871 HydrophobicContact CB-CG1 3.99Å; A1833-R1872 HydrophobicContact CB-CB 3.73Å |
| 1834 | E | 91.9 | Very high | 85.3 | Confident | 76.8 Ų | 76.8 | 47.8 Ų | 47.8 | 36% | 0.359 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -47 | 177.7 | -107.3 | 162.5 | -167 | 0 | 0 | 111.7 | F1830 Q1831 L1832 I1836 R1837 E1838 R1872 | F1830-E1834 PolarHBondContact O-N 3.07Å; Q1831-E1834 PolarHBondContact O-N 3.22Å; L1832-E1834 VanDerWaalsContact C-N 3.33Å; L1832-E1834 PolarHBondContact O-N 3.2Å; E1834-I1836 VanDerWaalsContact C-N 3.34Å; E1834-I1836 PolarHBondContact O-N 3.26Å; E1834-R1837 WeakPolarHBondContact O-CA 3.18Å; E1834-R1837 VanDerWaalsContact O-CB 3.3Å; E1834-R1837 WeakPolarHBondContact O-CB 3.38Å; E1834-R1837 PolarHBondContact O-N 3.14Å; E1834-R1837 VanDerWaalsContact O-N 3.1Å; E1834-R1837 IonicContact OE1-CZ 2.87Å; E1834-R1837 IonicContact OE1-NH2 2.73Å; E1834-R1837 PolarHBondContact OE1-NH2 2.87Å; E1834-E1838 WeakPolarHBondContact O-CG 3.4Å; E1834-E1838 PolarHBondContact O-N 3.15Å; E1834-R1872 VanDerWaalsContact CD-NH1 3.31Å; E1834-R1872 VanDerWaalsContact CG-NH1 3.28Å; E1834-R1872 IonicContact OE1-CZ 3.54Å; E1834-R1872 IonicContact OE1-NH1 3.27Å; E1834-R1872 PolarHBondContact OE1-NH1 2.91Å; E1834-R1872 IonicContact OE1-NH2 3.3Å; E1834-R1872 PolarHBondContact OE1-NH2 3.25Å |
| 1835 | T | 91.8 | Very high | 83.3 | Confident | 47.6 Ų | 47.6 | 49.8 Ų | 49.8 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 176.1 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | Q1831 L1832 R1837 E1838 C1839 | Q1831-T1835 WeakPolarHBondContact O-CG2 3.3Å; Q1831-T1835 PolarHBondContact O-N 3.28Å; Q1831-T1835 PolarHBondContact O-OG1 3.16Å; L1832-T1835 WeakPolarHBondContact CA-OG1 3.45Å; L1832-T1835 PolarHBondContact O-N 3.07Å; L1832-T1835 PolarHBondContact O-OG1 3.14Å; L1832-T1835 VanDerWaalsContact O-OG1 3.08Å; T1835-R1837 VanDerWaalsContact C-N 3.32Å; T1835-R1837 PolarHBondContact O-N 3.13Å; T1835-E1838 PolarHBondContact O-N 3.04Å; T1835-C1839 PolarHBondContact O-N 3.08Å; T1835-C1839 PolarHBondContact O-SG 3.01Å; T1835-C1839 VanDerWaalsContact O-SG 3.33Å |
| 1836 | I | 92.1 | Very high | 81.2 | Confident | 12.8 Ų | 12.8 | 52.4 Ų | 52.4 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 171.6 | -67.3 | 166.3 | 0 | 0 | 0 | 111.1 | V1322 F1325 L1832 E1834 C1839 A1840 L1864 I1867 V1871 | V1322-I1836 HydrophobicContact CG2-CG1 4.45Å; F1325-I1836 HydrophobicContact CD2-CD1 3.64Å; F1325-I1836 HydrophobicContact CD2-CG1 3.82Å; F1325-I1836 HydrophobicContact CE2-CD1 3.43Å; F1325-I1836 VanDerWaalsContact CE2-CD1 3.43Å; F1325-I1836 HydrophobicContact CE2-CG1 4.15Å; F1325-I1836 HydrophobicContact CZ-CD1 4.34Å; L1832-I1836 HydrophobicContact CD1-CD1 3.81Å; L1832-I1836 HydrophobicContact CD1-CG1 4.14Å; L1832-I1836 HydrophobicContact CD2-CD1 4.47Å; L1832-I1836 HydrophobicContact CG-CD1 3.79Å; L1832-I1836 HydrophobicContact CG-CG1 4.42Å; L1832-I1836 WeakPolarHBondContact O-CB 3.4Å; L1832-I1836 WeakPolarHBondContact O-CD1 3.37Å; L1832-I1836 VanDerWaalsContact O-CG1 3.22Å; L1832-I1836 WeakPolarHBondContact O-CG1 3.38Å; L1832-I1836 PolarHBondContact O-N 3.17Å; E1834-I1836 VanDerWaalsContact C-N 3.34Å; E1834-I1836 PolarHBondContact O-N 3.26Å; I1836-C1839 CarbonylContact O-C 3.45Å; I1836-C1839 WeakPolarHBondContact O-CB 3.14Å; I1836-C1839 PolarHBondContact O-N 3.08Å; I1836-A1840 VanDerWaalsContact O-CB 3.31Å; I1836-A1840 WeakPolarHBondContact O-CB 3.41Å; I1836-A1840 PolarHBondContact O-N 3.19Å; I1836-L1864 HydrophobicContact CG2-CB 4.35Å; I1836-L1864 HydrophobicContact CG2-CD2 4.1Å; I1836-L1864 WeakPolarHBondContact CG2-O 3.42Å; I1836-I1867 HydrophobicContact CD1-CG2 4.22Å; I1836-I1867 HydrophobicContact CG2-CB 4.49Å; I1836-I1867 HydrophobicContact CG2-CG2 4.3Å; I1836-V1871 HydrophobicContact CD1-CG2 4.36Å |
| 1837 | R | 89.3 | Confident | 78.8 | Confident | 34.6 Ų | 34.6 | 55.3 Ų | 55.3 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 177.1 | -174.1 | 173.2 | 133.9 | 175.8 | 3.8 | 111.9 | A1833 E1834 T1835 C1839 A1840 G1842 S1868 W1897 Q1901 E1904 | A1833-R1837 WeakPolarHBondContact O-CB 3.32Å; A1833-R1837 PolarHBondContact O-N 2.96Å; A1833-R1837 VanDerWaalsContact O-N 3.1Å; E1834-R1837 WeakPolarHBondContact O-CA 3.18Å; E1834-R1837 VanDerWaalsContact O-CB 3.3Å; E1834-R1837 WeakPolarHBondContact O-CB 3.38Å; E1834-R1837 PolarHBondContact O-N 3.14Å; E1834-R1837 VanDerWaalsContact O-N 3.1Å; E1834-R1837 IonicContact OE1-CZ 2.87Å; E1834-R1837 IonicContact OE1-NH2 2.73Å; E1834-R1837 PolarHBondContact OE1-NH2 2.87Å; T1835-R1837 VanDerWaalsContact C-N 3.32Å; T1835-R1837 PolarHBondContact O-N 3.13Å; R1837-C1839 VanDerWaalsContact C-N 3.32Å; R1837-C1839 PolarHBondContact O-N 3.07Å; R1837-A1840 WeakPolarHBondContact O-CA 3.42Å; R1837-A1840 WeakPolarHBondContact O-CB 3.42Å; R1837-A1840 PolarHBondContact O-N 3.21Å; R1837-A1840 VanDerWaalsContact O-N 3.11Å; R1837-G1842 VanDerWaalsContact O-CA 3.25Å; R1837-G1842 WeakPolarHBondContact O-CA 3.47Å; R1837-G1842 PolarHBondContact O-N 3Å; R1837-S1868 WeakPolarHBondContact CB-OG 3.43Å; R1837-W1897 VanDerWaalsContact NH1-NE1 3.17Å; R1837-Q1901 VanDerWaalsContact NH1-OE1 3.09Å; R1837-E1904 IonicContact CZ-OE2 2.79Å; R1837-E1904 IonicContact NE-OE2 3.65Å; R1837-E1904 IonicContact NH2-OE1 3.12Å; R1837-E1904 PolarHBondContact NH2-OE1 2.9Å; R1837-E1904 VanDerWaalsContact NH2-OE1 3.15Å; R1837-E1904 IonicContact NH2-OE2 3.86Å; R1837-E1904 PolarHBondContact NH2-OE2 3.16Å |
| 1838 | E | 88.2 | Confident | 76.2 | Confident | 124.2 Ų | 124.2 | 52.6 Ų | 52.6 | 58% | 0.58 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.8 | -47.1 | 171.9 | -69.7 | 167.5 | 172.5 | 0 | 0 | 110.7 | E1834 T1835 A1840 G1841 G1842 | E1834-E1838 WeakPolarHBondContact O-CG 3.4Å; E1834-E1838 PolarHBondContact O-N 3.15Å; T1835-E1838 PolarHBondContact O-N 3.04Å; E1838-A1840 PolarHBondContact O-N 3.09Å; E1838-A1840 VanDerWaalsContact O-N 3.15Å; E1838-G1841 PolarHBondContact O-N 3.24Å; E1838-G1841 VanDerWaalsContact O-N 3.12Å; E1838-G1842 PolarHBondContact O-N 2.99Å |
| 1839 | C | 85.7 | Confident | 74.1 | Confident | 61.4 Ų | 61.4 | 58.1 Ų | 58.1 | 42% | 0.415 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.9 | -14.9 | 174.1 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | R1326 T1835 I1836 R1837 G1841 | R1326-C1839 HydrophobicContact CG-CB 4.18Å; R1326-C1839 PolarHBondContact NH1-SG 3.09Å; R1326-C1839 VanDerWaalsContact NH1-SG 3.36Å; T1835-C1839 PolarHBondContact O-N 3.08Å; T1835-C1839 PolarHBondContact O-SG 3.01Å; T1835-C1839 VanDerWaalsContact O-SG 3.33Å; I1836-C1839 CarbonylContact O-C 3.45Å; I1836-C1839 WeakPolarHBondContact O-CB 3.14Å; I1836-C1839 PolarHBondContact O-N 3.08Å; R1837-C1839 VanDerWaalsContact C-N 3.32Å; R1837-C1839 PolarHBondContact O-N 3.07Å; C1839-G1841 VanDerWaalsContact C-N 3.31Å |
| 1840 | A | 84.7 | Confident | 71.9 | Confident | 3.6 Ų | 3.6 | 66.1 Ų | 66.1 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | I1836 R1837 E1838 V1860 H1861 L1864 Q1865 | I1836-A1840 VanDerWaalsContact O-CB 3.31Å; I1836-A1840 WeakPolarHBondContact O-CB 3.41Å; I1836-A1840 PolarHBondContact O-N 3.19Å; R1837-A1840 WeakPolarHBondContact O-CA 3.42Å; R1837-A1840 WeakPolarHBondContact O-CB 3.42Å; R1837-A1840 PolarHBondContact O-N 3.21Å; R1837-A1840 VanDerWaalsContact O-N 3.11Å; E1838-A1840 PolarHBondContact O-N 3.09Å; E1838-A1840 VanDerWaalsContact O-N 3.15Å; A1840-V1860 CarbonylContact O-C 3.59Å; A1840-V1860 VanDerWaalsContact O-CA 3.27Å; A1840-V1860 WeakPolarHBondContact O-CA 3.29Å; A1840-H1861 HydrophobicContact CB-CB 4.48Å; A1840-H1861 PolarHBondContact O-N 3.27Å; A1840-L1864 HydrophobicContact CB-CB 3.6Å; A1840-Q1865 HydrophobicContact CB-CG 3.89Å |
| 1841 | G | 73.1 | Confident | 69.9 | Low | 35.8 Ų | 35.8 | 68.4 Ų | 68.4 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.5 | 1.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1838 C1839 S1844 | E1838-G1841 PolarHBondContact O-N 3.24Å; E1838-G1841 VanDerWaalsContact O-N 3.12Å; C1839-G1841 VanDerWaalsContact C-N 3.31Å; G1841-S1844 WeakPolarHBondContact O-CB 3.48Å; G1841-S1844 PolarHBondContact O-OG 3.31Å |
| 1842 | G | 66 | Low | 67.1 | Low | 11 Ų | 11 | 68.6 Ų | 68.6 | 11% | 0.113 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -161.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1837 E1838 S1844 | R1837-G1842 VanDerWaalsContact O-CA 3.25Å; R1837-G1842 WeakPolarHBondContact O-CA 3.47Å; R1837-G1842 PolarHBondContact O-N 3Å; E1838-G1842 PolarHBondContact O-N 2.99Å; G1842-S1844 VanDerWaalsContact C-N 3.33Å; G1842-S1844 PolarHBondContact O-N 3.05Å |
| 1843 | P | 59.2 | Low | 64.4 | Low | 74.2 Ų | 74.2 | 73 Ų | 73 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.4 | 175.3 | 33.8 | -35.4 | 0 | 0 | 0 | 113.8 | T1845 S1846 | P1843-T1845 VanDerWaalsContact C-N 3.28Å; P1843-T1845 PolarHBondContact O-N 3.2Å; P1843-S1846 PolarHBondContact O-N 3.13Å |
| 1844 | S | 51.4 | Low | 61.8 | Low | 88.4 Ų | 88.4 | 78.2 Ų | 78.2 | 62% | 0.618 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 9.2 | -162.9 | -53.9 | 0 | 0 | 0 | 0 | 115.3 | G1841 G1842 S1846 G1847 | G1841-S1844 WeakPolarHBondContact O-CB 3.48Å; G1841-S1844 PolarHBondContact O-OG 3.31Å; G1842-S1844 VanDerWaalsContact C-N 3.33Å; G1842-S1844 PolarHBondContact O-N 3.05Å; S1844-S1846 CarbonylContact O-C 3.41Å; S1844-S1846 PolarHBondContact O-N 3.14Å; S1844-S1846 VanDerWaalsContact O-N 3.13Å; S1844-G1847 PolarHBondContact O-N 2.87Å |
| 1845 | T | 47.6 | Very low | 59.3 | Low | 89.8 Ų | 89.8 | 82.1 Ų | 82.1 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.8 | 168.3 | -32.7 | 0 | 0 | 0 | 0 | 112.1 | P1843 G1847 V1860 Q1865 | P1843-T1845 VanDerWaalsContact C-N 3.28Å; P1843-T1845 PolarHBondContact O-N 3.2Å; T1845-G1847 PolarHBondContact O-N 3.2Å; T1845-V1860 HydrophobicContact CG2-CG2 3.88Å; T1845-V1860 VanDerWaalsContact CG2-CG2 3.43Å; T1845-V1860 WeakPolarHBondContact OG1-CG2 3.44Å; T1845-Q1865 PolarHBondContact OG1-NE2 2.79Å |
| 1846 | S | 44.9 | Very low | 56.8 | Low | 88.2 Ų | 88.2 | 82.7 Ų | 82.7 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -82.5 | 70.9 | 164.3 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | P1843 S1844 S1848 | P1843-S1846 PolarHBondContact O-N 3.13Å; S1844-S1846 CarbonylContact O-C 3.41Å; S1844-S1846 PolarHBondContact O-N 3.14Å; S1844-S1846 VanDerWaalsContact O-N 3.13Å; S1846-S1848 PolarHBondContact O-N 3.12Å |
| 1847 | G | 40.1 | Very low | 54.3 | Low | 60.6 Ų | 60.6 | 88.2 Ų | 88.2 | 63% | 0.625 | 53% | 0.528 | S | S | * | . | trans | -49.6 | 120.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1844 T1845 M1849 | S1844-G1847 PolarHBondContact O-N 2.87Å; T1845-G1847 PolarHBondContact O-N 3.2Å; G1847-M1849 PolarHBondContact O-N 3.24Å; G1847-M1849 VanDerWaalsContact O-N 3.17Å | ||
| 1848 | S | 36.9 | Very low | 52.3 | Low | 68.8 Ų | 68.8 | 93.5 Ų | 93.5 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | trans | -70.4 | 110.2 | 166.5 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | S1846 F1850 V1851 | S1846-S1848 PolarHBondContact O-N 3.12Å; S1848-F1850 PolarHBondContact O-N 2.95Å; S1848-F1850 PolarHBondContact OG-N 3.37Å; S1848-V1851 CarbonylContact O-C 3.57Å; S1848-V1851 PolarHBondContact O-N 3.19Å | ||
| 1849 | M | 47.1 | Very low | 51 | Low | 173.4 Ų | 173.4 | 93.2 Ų | 93.2 | 85% | 0.854 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -18.4 | 178.4 | -173 | -177.9 | -108.2 | 0 | 0 | 113.2 | G1847 | G1847-M1849 PolarHBondContact O-N 3.24Å; G1847-M1849 VanDerWaalsContact O-N 3.17Å |
| 1850 | F | 46.8 | Very low | 50.5 | Low | 177.6 Ų | 177.6 | 92.2 Ų | 92.2 | 78% | 0.779 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -0.7 | -179 | -58.7 | -76.6 | 0 | 0 | 0 | 114.2 | S1848 | S1848-F1850 PolarHBondContact O-N 2.95Å; S1848-F1850 PolarHBondContact OG-N 3.37Å |
| 1851 | V | 49.7 | Very low | 50.6 | Low | 79.6 Ų | 79.6 | 95 Ų | 95 | 48% | 0.482 | 57% | 0.57 | S | S | . | * | trans | -127.7 | 88.9 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | S1848 E1853 | S1848-V1851 CarbonylContact O-C 3.57Å; S1848-V1851 PolarHBondContact O-N 3.19Å; V1851-E1853 VanDerWaalsContact C-N 3.27Å; V1851-E1853 HydrophobicContact CG1-CB 4.47Å; V1851-E1853 HydrophobicContact CG1-CG 3.76Å; V1851-E1853 WeakPolarHBondContact CG1-OE1 3.33Å; V1851-E1853 PolarHBondContact O-N 3.15Å; V1851-E1853 VanDerWaalsContact O-N 3.16Å | ||
| 1852 | A | 35.5 | Very low | 51.3 | Low | 92.2 Ų | 92.2 | 97.6 Ų | 97.6 | 76% | 0.762 | 57% | 0.569 | S | S | * | * | trans | -79.6 | 70.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1854 | A1852-T1854 VanDerWaalsContact C-N 3.32Å; A1852-T1854 PolarHBondContact O-N 3.31Å; A1852-T1854 VanDerWaalsContact O-N 3.08Å; A1852-T1854 PolarHBondContact O-OG1 3.32Å | ||
| 1853 | E | 37.2 | Very low | 52.5 | Low | 133.4 Ų | 133.4 | 99.6 Ų | 99.6 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | trans | -67.8 | 98.3 | 170.8 | -75.9 | -177.7 | -167.1 | 0 | 0 | 109.4 | V1851 E1855 A1856 N1857 | V1851-E1853 VanDerWaalsContact C-N 3.27Å; V1851-E1853 HydrophobicContact CG1-CB 4.47Å; V1851-E1853 HydrophobicContact CG1-CG 3.76Å; V1851-E1853 WeakPolarHBondContact CG1-OE1 3.33Å; V1851-E1853 PolarHBondContact O-N 3.15Å; V1851-E1853 VanDerWaalsContact O-N 3.16Å; E1853-E1855 PolarHBondContact O-N 3.04Å; E1853-A1856 HydrophobicContact CB-CB 4.11Å; E1853-A1856 WeakPolarHBondContact O-CB 3.43Å; E1853-A1856 PolarHBondContact O-N 3.06Å; E1853-N1857 PolarHBondContact O-ND2 3.2Å; E1853-N1857 VanDerWaalsContact O-ND2 3.13Å | ||
| 1854 | T | 39.1 | Very low | 54 | Low | 108.6 Ų | 108.6 | 97.2 Ų | 97.2 | 67% | 0.666 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 0.6 | -166.5 | 5.3 | 0 | 0 | 0 | 0 | 115 | A1852 N2447 | A1852-T1854 VanDerWaalsContact C-N 3.32Å; A1852-T1854 PolarHBondContact O-N 3.31Å; A1852-T1854 VanDerWaalsContact O-N 3.08Å; A1852-T1854 PolarHBondContact O-OG1 3.32Å; T1854-N2447 WeakPolarHBondContact O-CB 3.21Å; T1854-N2447 PolarHBondContact O-ND2 3.02Å; T1854-N2447 VanDerWaalsContact O-ND2 3.09Å; T1854-N2447 PolarHBondContact O-OD1 2.68Å |
| 1855 | E | 39.8 | Very low | 55.9 | Low | 158.6 Ų | 158.6 | 93.4 Ų | 93.4 | 74% | 0.741 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -3.8 | -178.6 | -63 | -137.4 | 144.8 | 0 | 0 | 113.2 | E1853 N1857 N2447 | E1853-E1855 PolarHBondContact O-N 3.04Å; E1855-N1857 PolarHBondContact O-N 3Å; E1855-N1857 VanDerWaalsContact O-N 3.07Å; E1855-N2447 VanDerWaalsContact OE1-CB 3.3Å; E1855-N2447 WeakPolarHBondContact OE1-CB 3.44Å; E1855-N2447 PolarHBondContact OE1-ND2 2.64Å |
| 1856 | A | 37.3 | Very low | 58.1 | Low | 59 Ų | 59 | 89.7 Ų | 89.7 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | trans | -89.2 | 14 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1853 D1858 T1859 | E1853-A1856 HydrophobicContact CB-CB 4.11Å; E1853-A1856 WeakPolarHBondContact O-CB 3.43Å; E1853-A1856 PolarHBondContact O-N 3.06Å; A1856-D1858 VanDerWaalsContact C-N 3.31Å; A1856-D1858 PolarHBondContact O-N 3.19Å; A1856-T1859 PolarHBondContact O-N 3.13Å; A1856-T1859 PolarHBondContact O-OG1 3.4Å | ||
| 1857 | N | 39.6 | Very low | 60.4 | Low | 128.8 Ų | 128.8 | 86.6 Ų | 86.6 | 69% | 0.689 | 49% | 0.486 | S | S | * | . | trans | -89.2 | 3.6 | -167.9 | -69.3 | -59.4 | 0 | 0 | 0 | 115.1 | E1853 E1855 T1859 | E1853-N1857 PolarHBondContact O-ND2 3.2Å; E1853-N1857 VanDerWaalsContact O-ND2 3.13Å; E1855-N1857 PolarHBondContact O-N 3Å; E1855-N1857 VanDerWaalsContact O-N 3.07Å; N1857-T1859 PolarHBondContact O-N 3.33Å | ||
| 1858 | D | 47.8 | Very low | 62.9 | Low | 145.8 Ų | 145.8 | 83.8 Ų | 83.8 | 78% | 0.78 | 46% | 0.456 | S | S | * | . | trans | -76.3 | 68.6 | 177.8 | -94.5 | -7.7 | 0 | 0 | 0 | 111.8 | A1856 V1860 T2445 | A1856-D1858 VanDerWaalsContact C-N 3.31Å; A1856-D1858 PolarHBondContact O-N 3.19Å; D1858-V1860 PolarHBondContact O-N 3.28Å; D1858-T2445 PolarHBondContact OD2-OG1 3.21Å | ||
| 1859 | T | 61.8 | Low | 65.6 | Low | 118.6 Ų | 118.6 | 80.5 Ų | 80.5 | 73% | 0.728 | 43% | 0.433 | S | S | * | . | trans | -75.8 | 93.5 | -170.4 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | A1856 N1857 H1861 | A1856-T1859 PolarHBondContact O-N 3.13Å; A1856-T1859 PolarHBondContact O-OG1 3.4Å; N1857-T1859 PolarHBondContact O-N 3.33Å; T1859-H1861 PolarHBondContact O-N 3.19Å; T1859-H1861 VanDerWaalsContact O-N 3.13Å | ||
| 1860 | V | 74.7 | Confident | 67.9 | Low | 40.8 Ų | 40.8 | 73.8 Ų | 73.8 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | trans | -58.7 | 113.8 | 179.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | A1840 T1845 D1858 R1862 Q1865 | A1840-V1860 CarbonylContact O-C 3.59Å; A1840-V1860 VanDerWaalsContact O-CA 3.27Å; A1840-V1860 WeakPolarHBondContact O-CA 3.29Å; T1845-V1860 HydrophobicContact CG2-CG2 3.88Å; T1845-V1860 VanDerWaalsContact CG2-CG2 3.43Å; T1845-V1860 WeakPolarHBondContact OG1-CG2 3.44Å; D1858-V1860 PolarHBondContact O-N 3.28Å; V1860-R1862 VanDerWaalsContact C-N 3.32Å; V1860-R1862 PolarHBondContact O-N 3.26Å; V1860-Q1865 HydrophobicContact CG1-CB 4.06Å; V1860-Q1865 VanDerWaalsContact CG1-CD 3.44Å; V1860-Q1865 HydrophobicContact CG1-CG 4.2Å; V1860-Q1865 VanDerWaalsContact CG1-NE2 3.27Å | ||
| 1861 | H | 86.7 | Confident | 70.1 | Confident | 61.4 Ų | 61.4 | 66 Ų | 66 | 28% | 0.284 | 37% | 0.367 | S | S | . | . | trans | -74.9 | 89 | -174.9 | -166.6 | -66.3 | 0 | 0 | 0 | 110.8 | R1329 D1330 A1840 T1859 N1863 L1864 Q1865 | R1329-H1861 WeakPolarHBondContact CB-NE2 3.48Å; R1329-H1861 WeakPolarHBondContact CG-NE2 3.4Å; R1329-H1861 PolarHBondContact O-CE1 3.18Å; R1329-H1861 PolarHBondContact O-NE2 3.13Å; D1330-H1861 IonicContact OD1-NE2 3.28Å; A1840-H1861 HydrophobicContact CB-CB 4.48Å; A1840-H1861 PolarHBondContact O-N 3.27Å; T1859-H1861 PolarHBondContact O-N 3.19Å; T1859-H1861 VanDerWaalsContact O-N 3.13Å; H1861-N1863 VanDerWaalsContact C-N 3.27Å; H1861-N1863 PolarHBondContact O-N 3Å; H1861-N1863 VanDerWaalsContact O-N 3.07Å; H1861-L1864 HydrophobicContact CB-CB 4.34Å; H1861-L1864 HydrophobicContact CB-CD1 4.19Å; H1861-L1864 HydrophobicContact CB-CG 4.26Å; H1861-L1864 WeakPolarHBondContact ND1-CD1 3.32Å; H1861-L1864 VanDerWaalsContact ND1-CG 3.27Å; H1861-L1864 WeakPolarHBondContact ND1-CG 3.4Å; H1861-L1864 PolarHBondContact ND1-N 2.83Å; H1861-L1864 WeakPolarHBondContact O-CA 3.27Å; H1861-L1864 WeakPolarHBondContact O-CB 3.43Å; H1861-L1864 PolarHBondContact O-N 3.1Å; H1861-Q1865 PolarHBondContact O-N 3.22Å | ||
| 1862 | R | 87.4 | Confident | 72.2 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -47.4 | -41.6 | -171.5 | -177 | 54 | 161.3 | -136.8 | -9.4 | 115.2 | L1360 V1860 L1864 Q1865 L1866 E1904 I1905 | L1360-R1862 HydrophobicContact CD2-CG 4.08Å; V1860-R1862 VanDerWaalsContact C-N 3.32Å; V1860-R1862 PolarHBondContact O-N 3.26Å; R1862-L1864 VanDerWaalsContact C-N 3.33Å; R1862-L1864 PolarHBondContact O-N 3.1Å; R1862-Q1865 PolarHBondContact O-N 3.07Å; R1862-L1866 HydrophobicContact CG-CD1 4.33Å; R1862-L1866 WeakPolarHBondContact O-CG 3.37Å; R1862-L1866 PolarHBondContact O-N 3.08Å; R1862-E1904 PolarHBondContact NH1-O 2.91Å; R1862-E1904 PolarHBondContact NH2-O 3.45Å; R1862-I1905 VanDerWaalsContact CZ-CA 3.43Å; R1862-I1905 VanDerWaalsContact CZ-O 3.22Å; R1862-I1905 PolarHBondContact NE-O 3.01Å; R1862-I1905 VanDerWaalsContact NH1-CA 3.32Å; R1862-I1905 PolarHBondContact NH1-O 3.32Å; R1862-I1905 VanDerWaalsContact NH2-CA 3.34Å; R1862-I1905 PolarHBondContact NH2-O 3.25Å |
| 1863 | N | 91 | Very high | 75 | Confident | 53.8 Ų | 53.8 | 59.1 Ų | 59.1 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.3 | -61.9 | -14.8 | 0 | 0 | 0 | 112 | R1329 L1335 L1356 L1360 H1861 L1866 I1867 | R1329-N1863 PolarHBondContact O-ND2 3.25Å; L1335-N1863 HydrophobicContact CD1-CB 3.83Å; L1356-N1863 HydrophobicContact CD2-CB 4.43Å; L1360-N1863 VanDerWaalsContact CD1-OD1 3.27Å; L1360-N1863 WeakPolarHBondContact CD1-OD1 3.43Å; H1861-N1863 VanDerWaalsContact C-N 3.27Å; H1861-N1863 PolarHBondContact O-N 3Å; H1861-N1863 VanDerWaalsContact O-N 3.07Å; N1863-L1866 PolarHBondContact O-N 3.3Å; N1863-I1867 WeakPolarHBondContact O-CD1 3.31Å; N1863-I1867 VanDerWaalsContact O-CG1 3.24Å; N1863-I1867 WeakPolarHBondContact O-CG1 3.37Å; N1863-I1867 PolarHBondContact O-N 3.17Å |
| 1864 | L | 91.8 | Very high | 77.7 | Confident | 24.6 Ų | 24.6 | 55.5 Ų | 55.5 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.1 | -36.1 | 177.1 | -65.9 | 178.2 | 0 | 0 | 0 | 111.7 | F1325 R1329 L1335 I1836 A1840 H1861 R1862 L1866 I1867 S1868 | F1325-L1864 HydrophobicContact CB-CD2 3.96Å; F1325-L1864 HydrophobicContact CD1-CD2 4.44Å; R1329-L1864 HydrophobicContact CB-CD1 4.01Å; R1329-L1864 HydrophobicContact CB-CD2 4.28Å; R1329-L1864 HydrophobicContact CB-CG 4.2Å; L1335-L1864 HydrophobicContact CD2-CD2 4.45Å; I1836-L1864 HydrophobicContact CG2-CB 4.35Å; I1836-L1864 HydrophobicContact CG2-CD2 4.1Å; I1836-L1864 WeakPolarHBondContact CG2-O 3.42Å; A1840-L1864 HydrophobicContact CB-CB 3.6Å; H1861-L1864 HydrophobicContact CB-CB 4.34Å; H1861-L1864 HydrophobicContact CB-CD1 4.19Å; H1861-L1864 HydrophobicContact CB-CG 4.26Å; H1861-L1864 WeakPolarHBondContact ND1-CD1 3.32Å; H1861-L1864 VanDerWaalsContact ND1-CG 3.27Å; H1861-L1864 WeakPolarHBondContact ND1-CG 3.4Å; H1861-L1864 PolarHBondContact ND1-N 2.83Å; H1861-L1864 WeakPolarHBondContact O-CA 3.27Å; H1861-L1864 WeakPolarHBondContact O-CB 3.43Å; H1861-L1864 PolarHBondContact O-N 3.1Å; R1862-L1864 VanDerWaalsContact C-N 3.33Å; R1862-L1864 PolarHBondContact O-N 3.1Å; L1864-L1866 VanDerWaalsContact C-N 3.29Å; L1864-L1866 PolarHBondContact O-N 3.06Å; L1864-I1867 HydrophobicContact CD2-CD1 4.27Å; L1864-I1867 PolarHBondContact O-N 3.22Å; L1864-S1868 WeakPolarHBondContact O-CB 3.44Å; L1864-S1868 PolarHBondContact O-N 2.96Å |
| 1865 | Q | 91.6 | Very high | 80.2 | Confident | 8.8 Ų | 8.8 | 50.3 Ų | 50.3 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 170.8 | -130.2 | -171 | 1.1 | 0 | 0 | 111.2 | A1840 T1845 V1860 H1861 R1862 S1868 F1869 I1905 | A1840-Q1865 HydrophobicContact CB-CG 3.89Å; T1845-Q1865 PolarHBondContact OG1-NE2 2.79Å; V1860-Q1865 HydrophobicContact CG1-CB 4.06Å; V1860-Q1865 VanDerWaalsContact CG1-CD 3.44Å; V1860-Q1865 HydrophobicContact CG1-CG 4.2Å; V1860-Q1865 VanDerWaalsContact CG1-NE2 3.27Å; H1861-Q1865 PolarHBondContact O-N 3.22Å; R1862-Q1865 PolarHBondContact O-N 3.07Å; Q1865-S1868 WeakPolarHBondContact O-CB 3.43Å; Q1865-S1868 PolarHBondContact O-N 3.23Å; Q1865-S1868 PolarHBondContact O-OG 3.25Å; Q1865-F1869 WeakPolarHBondContact O-CB 3.43Å; Q1865-F1869 PolarHBondContact O-N 3.08Å; Q1865-I1905 HydrophobicContact CB-CD1 4.29Å; Q1865-I1905 HydrophobicContact CB-CG1 4.25Å; Q1865-I1905 HydrophobicContact CG-CD1 4.15Å; Q1865-I1905 HydrophobicContact CG-CG1 4Å |
| 1866 | L | 92.4 | Very high | 82.7 | Confident | 10.2 Ų | 10.2 | 42.9 Ų | 42.9 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 175.8 | -80.3 | 166.7 | 0 | 0 | 0 | 113 | L1356 C1359 L1360 R1862 N1863 L1864 F1869 Q1870 I1905 P1908 I1912 | L1356-L1866 HydrophobicContact CD1-CB 3.79Å; L1356-L1866 HydrophobicContact CD1-CD1 4.03Å; C1359-L1866 HydrophobicContact CB-CD1 4.47Å; L1360-L1866 HydrophobicContact CD2-CD1 3.61Å; L1360-L1866 HydrophobicContact CG-CD1 4.09Å; R1862-L1866 HydrophobicContact CG-CD1 4.33Å; R1862-L1866 WeakPolarHBondContact O-CG 3.37Å; R1862-L1866 PolarHBondContact O-N 3.08Å; N1863-L1866 PolarHBondContact O-N 3.3Å; L1864-L1866 VanDerWaalsContact C-N 3.29Å; L1864-L1866 PolarHBondContact O-N 3.06Å; L1866-F1869 PolarHBondContact O-N 2.98Å; L1866-Q1870 WeakPolarHBondContact O-CB 3.35Å; L1866-Q1870 VanDerWaalsContact O-CG 3.26Å; L1866-Q1870 WeakPolarHBondContact O-CG 3.37Å; L1866-Q1870 PolarHBondContact O-N 3.05Å; L1866-I1905 HydrophobicContact CD1-CG2 4.36Å; L1866-I1905 HydrophobicContact CD2-CD1 4.46Å; L1866-I1905 HydrophobicContact CD2-CG2 3.6Å; L1866-I1905 HydrophobicContact CG-CG2 4.23Å; L1866-P1908 HydrophobicContact CD1-CB 4.13Å; L1866-P1908 HydrophobicContact CD2-CB 3.99Å; L1866-I1912 HydrophobicContact CD2-CD1 3.9Å |
| 1867 | I | 93.8 | Very high | 85.2 | Confident | 24.8 Ų | 24.8 | 40.2 Ų | 40.2 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 174.9 | -69.2 | 161.2 | 0 | 0 | 0 | 110.4 | F1325 L1335 L1356 I1836 N1863 L1864 F1869 Q1870 V1871 | F1325-I1867 HydrophobicContact CD1-CD1 4.03Å; F1325-I1867 HydrophobicContact CD1-CG2 4.4Å; F1325-I1867 HydrophobicContact CE1-CD1 3.88Å; F1325-I1867 HydrophobicContact CE1-CG2 3.76Å; F1325-I1867 HydrophobicContact CE2-CG2 4.21Å; F1325-I1867 HydrophobicContact CZ-CG2 3.64Å; L1335-I1867 HydrophobicContact CB-CD1 4.14Å; L1335-I1867 HydrophobicContact CD1-CD1 4.11Å; L1335-I1867 HydrophobicContact CD2-CD1 3.87Å; L1335-I1867 HydrophobicContact CG-CD1 4.28Å; L1356-I1867 HydrophobicContact CD1-CG1 4.39Å; L1356-I1867 HydrophobicContact CD2-CD1 3.84Å; L1356-I1867 HydrophobicContact CD2-CG1 4Å; I1836-I1867 HydrophobicContact CD1-CG2 4.22Å; I1836-I1867 HydrophobicContact CG2-CB 4.49Å; I1836-I1867 HydrophobicContact CG2-CG2 4.3Å; N1863-I1867 WeakPolarHBondContact O-CD1 3.31Å; N1863-I1867 VanDerWaalsContact O-CG1 3.24Å; N1863-I1867 WeakPolarHBondContact O-CG1 3.37Å; N1863-I1867 PolarHBondContact O-N 3.17Å; L1864-I1867 HydrophobicContact CD2-CD1 4.27Å; L1864-I1867 PolarHBondContact O-N 3.22Å; I1867-F1869 VanDerWaalsContact C-N 3.3Å; I1867-F1869 PolarHBondContact O-N 2.99Å; I1867-Q1870 PolarHBondContact O-N 2.95Å; I1867-Q1870 VanDerWaalsContact O-N 3.13Å; I1867-V1871 HydrophobicContact CG2-CG2 4.13Å; I1867-V1871 WeakPolarHBondContact O-CB 3.37Å; I1867-V1871 VanDerWaalsContact O-CG2 3.28Å; I1867-V1871 WeakPolarHBondContact O-CG2 3.41Å; I1867-V1871 PolarHBondContact O-N 3.15Å |
| 1868 | S | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.1 | -44.9 | 175.2 | 137.7 | 0 | 0 | 0 | 0 | 111.6 | A1833 R1837 L1864 Q1865 Q1870 V1871 R1872 | A1833-S1868 WeakPolarHBondContact CB-O 3.36Å; A1833-S1868 WeakPolarHBondContact O-CB 3.37Å; A1833-S1868 PolarHBondContact O-OG 3.34Å; R1837-S1868 WeakPolarHBondContact CB-OG 3.43Å; L1864-S1868 WeakPolarHBondContact O-CB 3.44Å; L1864-S1868 PolarHBondContact O-N 2.96Å; Q1865-S1868 WeakPolarHBondContact O-CB 3.43Å; Q1865-S1868 PolarHBondContact O-N 3.23Å; Q1865-S1868 PolarHBondContact O-OG 3.25Å; S1868-Q1870 PolarHBondContact O-N 3.08Å; S1868-V1871 PolarHBondContact O-N 3.08Å; S1868-R1872 VanDerWaalsContact O-CB 3.24Å; S1868-R1872 WeakPolarHBondContact O-CB 3.43Å; S1868-R1872 PolarHBondContact O-N 3.24Å |
| 1869 | F | 93.8 | Very high | 89.6 | Confident | 0.4 Ų | 0.4 | 30.9 Ų | 30.9 | 0% | 0.002 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 176.5 | -176.3 | -104.9 | 0 | 0 | 0 | 112.2 | Q1865 L1866 I1867 V1871 R1872 L1873 W1897 I1898 Q1901 V1902 I1905 A1909 I1912 L1913 | Q1865-F1869 WeakPolarHBondContact O-CB 3.43Å; Q1865-F1869 PolarHBondContact O-N 3.08Å; L1866-F1869 PolarHBondContact O-N 2.98Å; I1867-F1869 VanDerWaalsContact C-N 3.3Å; I1867-F1869 PolarHBondContact O-N 2.99Å; F1869-V1871 PolarHBondContact O-N 3.44Å; F1869-R1872 PolarHBondContact O-N 3.02Å; F1869-L1873 HydrophobicContact CD1-CD1 3.99Å; F1869-L1873 HydrophobicContact CE1-CD1 3.51Å; F1869-L1873 HydrophobicContact CE1-CG 4.4Å; F1869-L1873 HydrophobicContact CE2-CD1 4.49Å; F1869-L1873 HydrophobicContact CZ-CD1 3.82Å; F1869-L1873 HydrophobicContact CZ-CG 4.38Å; F1869-L1873 VanDerWaalsContact O-CB 3.3Å; F1869-L1873 WeakPolarHBondContact O-CB 3.39Å; F1869-L1873 WeakPolarHBondContact O-CG 3.28Å; F1869-L1873 PolarHBondContact O-N 3.15Å; F1869-W1897 HydrophobicContact CD2-CH2 4.35Å; F1869-W1897 AromaticContact CD2-CZ3 3.96Å; F1869-W1897 HydrophobicContact CD2-CZ3 3.99Å; F1869-W1897 HydrophobicContact CE2-CZ3 4.46Å; F1869-I1898 HydrophobicContact CE2-CG2 4.2Å; F1869-I1898 HydrophobicContact CZ-CG2 4.41Å; F1869-Q1901 HydrophobicContact CD2-CB 3.72Å; F1869-Q1901 HydrophobicContact CD2-CG 4.21Å; F1869-Q1901 HydrophobicContact CE2-CB 3.99Å; F1869-V1902 HydrophobicContact CE2-CG2 3.83Å; F1869-V1902 HydrophobicContact CZ-CG2 3.58Å; F1869-V1902 VanDerWaalsContact CZ-CG2 3.46Å; F1869-I1905 HydrophobicContact CB-CD1 3.81Å; F1869-I1905 HydrophobicContact CD1-CD1 4.49Å; F1869-I1905 HydrophobicContact CD2-CD1 4.23Å; F1869-I1905 HydrophobicContact CG-CD1 4.02Å; F1869-A1909 HydrophobicContact CD1-CB 4.04Å; F1869-A1909 HydrophobicContact CE1-CB 3.71Å; F1869-A1909 HydrophobicContact CE2-CB 4.47Å; F1869-A1909 HydrophobicContact CG-CB 4.48Å; F1869-A1909 HydrophobicContact CZ-CB 3.97Å; F1869-I1912 HydrophobicContact CD1-CD1 4.38Å; F1869-I1912 HydrophobicContact CD1-CG2 4.17Å; F1869-I1912 HydrophobicContact CE1-CB 4.17Å; F1869-I1912 HydrophobicContact CE1-CG2 3.88Å; F1869-L1913 HydrophobicContact CE1-CG 4.46Å; F1869-L1913 HydrophobicContact CZ-CD2 4.03Å; F1869-L1913 HydrophobicContact CZ-CG 4.03Å |
| 1870 | Q | 93.9 | Very high | 90.9 | Very high | 33.8 Ų | 33.8 | 25.3 Ų | 25.3 | 16% | 0.158 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 177.2 | -72.4 | 176.6 | -7.9 | 0 | 0 | 112.6 | R1339 L1343 F1351 L1866 I1867 S1868 R1872 L1873 Y1874 I1912 | R1339-Q1870 VanDerWaalsContact CZ-CD 3.4Å; R1339-Q1870 VanDerWaalsContact NH1-CD 3.29Å; R1339-Q1870 VanDerWaalsContact NH2-CD 3.31Å; L1343-Q1870 HydrophobicContact CD1-CB 4.26Å; F1351-Q1870 WeakPolarHBondContact CE2-O 3.34Å; F1351-Q1870 HydrophobicContact CZ-CB 4.1Å; F1351-Q1870 HydrophobicContact CZ-CG 4.49Å; F1351-Q1870 VanDerWaalsContact CZ-O 3.31Å; F1351-Q1870 WeakPolarHBondContact CZ-O 3.28Å; L1866-Q1870 WeakPolarHBondContact O-CB 3.35Å; L1866-Q1870 VanDerWaalsContact O-CG 3.26Å; L1866-Q1870 WeakPolarHBondContact O-CG 3.37Å; L1866-Q1870 PolarHBondContact O-N 3.05Å; I1867-Q1870 PolarHBondContact O-N 2.95Å; I1867-Q1870 VanDerWaalsContact O-N 3.13Å; S1868-Q1870 PolarHBondContact O-N 3.08Å; Q1870-R1872 VanDerWaalsContact C-N 3.34Å; Q1870-R1872 PolarHBondContact O-N 3.48Å; Q1870-L1873 PolarHBondContact O-N 3.11Å; Q1870-Y1874 WeakPolarHBondContact O-CB 3.38Å; Q1870-Y1874 PolarHBondContact O-N 3.12Å; Q1870-I1912 HydrophobicContact CG-CD1 3.95Å; Q1870-I1912 HydrophobicContact CG-CG2 4.24Å; Q1870-I1912 VanDerWaalsContact NE2-CD1 3.3Å |
| 1871 | V | 94 | Very high | 91.5 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 7% | 0.073 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 177 | 177.4 | 0 | 0 | 0 | 0 | 111 | L1343 A1829 L1832 A1833 I1836 I1867 S1868 F1869 L1873 Y1874 G1875 | L1343-V1871 HydrophobicContact CD2-CB 4.45Å; L1343-V1871 HydrophobicContact CD2-CG2 3.99Å; A1829-V1871 WeakPolarHBondContact O-CG1 3.33Å; L1832-V1871 HydrophobicContact CB-CG1 4.32Å; L1832-V1871 HydrophobicContact CD2-CG1 4.19Å; L1832-V1871 HydrophobicContact CG-CG1 4.24Å; A1833-V1871 HydrophobicContact CB-CB 4.1Å; A1833-V1871 HydrophobicContact CB-CG1 3.99Å; I1836-V1871 HydrophobicContact CD1-CG2 4.36Å; I1867-V1871 HydrophobicContact CG2-CG2 4.13Å; I1867-V1871 WeakPolarHBondContact O-CB 3.37Å; I1867-V1871 VanDerWaalsContact O-CG2 3.28Å; I1867-V1871 WeakPolarHBondContact O-CG2 3.41Å; I1867-V1871 PolarHBondContact O-N 3.15Å; S1868-V1871 PolarHBondContact O-N 3.08Å; F1869-V1871 PolarHBondContact O-N 3.44Å; V1871-L1873 VanDerWaalsContact C-N 3.35Å; V1871-L1873 PolarHBondContact O-N 2.86Å; V1871-Y1874 PolarHBondContact O-N 2.97Å; V1871-G1875 PolarHBondContact O-N 3.17Å |
| 1872 | R | 93.7 | Very high | 91.4 | Very high | 25.2 Ų | 25.2 | 28.9 Ų | 28.9 | 10% | 0.095 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 175.8 | -171.7 | 123.4 | 175.8 | -178.2 | 5.8 | 112.2 | F1830 A1833 E1834 S1868 F1869 Q1870 Y1874 G1875 L1876 N1894 W1897 | F1830-R1872 HydrophobicContact CD1-CG 3.99Å; F1830-R1872 HydrophobicContact CE1-CG 4.21Å; F1830-R1872 WeakPolarHBondContact CE1-O 3.39Å; A1833-R1872 HydrophobicContact CB-CB 3.73Å; E1834-R1872 VanDerWaalsContact CD-NH1 3.31Å; E1834-R1872 VanDerWaalsContact CG-NH1 3.28Å; E1834-R1872 IonicContact OE1-CZ 3.54Å; E1834-R1872 IonicContact OE1-NH1 3.27Å; E1834-R1872 PolarHBondContact OE1-NH1 2.91Å; E1834-R1872 IonicContact OE1-NH2 3.3Å; E1834-R1872 PolarHBondContact OE1-NH2 3.25Å; S1868-R1872 VanDerWaalsContact O-CB 3.24Å; S1868-R1872 WeakPolarHBondContact O-CB 3.43Å; S1868-R1872 PolarHBondContact O-N 3.24Å; F1869-R1872 PolarHBondContact O-N 3.02Å; Q1870-R1872 VanDerWaalsContact C-N 3.34Å; Q1870-R1872 PolarHBondContact O-N 3.48Å; R1872-Y1874 VanDerWaalsContact C-N 3.35Å; R1872-G1875 PolarHBondContact O-N 3.19Å; R1872-L1876 PolarHBondContact O-N 3.07Å; R1872-N1894 PolarHBondContact NE-OD1 3.28Å; R1872-N1894 PolarHBondContact NH2-OD1 3.05Å; R1872-N1894 VanDerWaalsContact NH2-OD1 3.09Å; R1872-W1897 HydrophobicContact CB-CE3 4.46Å; R1872-W1897 HydrophobicContact CB-CH2 3.64Å; R1872-W1897 HydrophobicContact CB-CZ2 4.49Å; R1872-W1897 HydrophobicContact CB-CZ3 3.68Å; R1872-W1897 VanDerWaalsContact CD-CH2 3.48Å; R1872-W1897 HydrophobicContact CG-CE3 3.89Å; R1872-W1897 HydrophobicContact CG-CH2 3.7Å; R1872-W1897 HydrophobicContact CG-CZ2 4.39Å; R1872-W1897 HydrophobicContact CG-CZ3 3.42Å; R1872-W1897 VanDerWaalsContact CG-CZ3 3.43Å |
| 1873 | L | 93.5 | Very high | 91.2 | Very high | 2.2 Ų | 2.2 | 27.7 Ų | 27.7 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 175 | -137.2 | 102.8 | 0 | 0 | 0 | 110.5 | F1351 F1869 Q1870 V1871 G1875 L1876 G1877 I1898 I1912 L1913 H1920 | F1351-L1873 HydrophobicContact CE2-CB 4.05Å; F1351-L1873 HydrophobicContact CE2-CD2 4.11Å; F1351-L1873 HydrophobicContact CE2-CG 4.04Å; F1869-L1873 HydrophobicContact CD1-CD1 3.99Å; F1869-L1873 HydrophobicContact CE1-CD1 3.51Å; F1869-L1873 HydrophobicContact CE1-CG 4.4Å; F1869-L1873 HydrophobicContact CE2-CD1 4.49Å; F1869-L1873 HydrophobicContact CZ-CD1 3.82Å; F1869-L1873 HydrophobicContact CZ-CG 4.38Å; F1869-L1873 VanDerWaalsContact O-CB 3.3Å; F1869-L1873 WeakPolarHBondContact O-CB 3.39Å; F1869-L1873 WeakPolarHBondContact O-CG 3.28Å; F1869-L1873 PolarHBondContact O-N 3.15Å; Q1870-L1873 PolarHBondContact O-N 3.11Å; V1871-L1873 VanDerWaalsContact C-N 3.35Å; V1871-L1873 PolarHBondContact O-N 2.86Å; L1873-G1875 VanDerWaalsContact C-N 3.31Å; L1873-G1875 PolarHBondContact O-N 3.1Å; L1873-L1876 CarbonylContact O-C 3.58Å; L1873-L1876 WeakPolarHBondContact O-CA 3.38Å; L1873-L1876 WeakPolarHBondContact O-CB 3.4Å; L1873-L1876 PolarHBondContact O-N 3.07Å; L1873-L1876 VanDerWaalsContact O-N 3.12Å; L1873-G1877 PolarHBondContact O-N 3.09Å; L1873-G1877 VanDerWaalsContact O-N 3.09Å; L1873-I1898 HydrophobicContact CD1-CD1 4.45Å; L1873-I1898 HydrophobicContact CD2-CD1 3.9Å; L1873-I1898 HydrophobicContact CD2-CG1 4.39Å; L1873-I1912 HydrophobicContact CD1-CG2 3.81Å; L1873-I1912 HydrophobicContact CD2-CG2 3.93Å; L1873-L1913 HydrophobicContact CD1-CD1 4.46Å; L1873-L1913 HydrophobicContact CD1-CD2 4.03Å; L1873-L1913 HydrophobicContact CD2-CD1 4.21Å; L1873-L1913 HydrophobicContact CD2-CD2 3.94Å; L1873-H1920 HydrophobicContact CD1-CB 3.94Å; L1873-H1920 HydrophobicContact CD2-CB 4.19Å; L1873-H1920 PolarHBondContact O-CD2 2.97Å; L1873-H1920 PolarHBondContact O-NE2 3.21Å |
| 1874 | Y | 93.7 | Very high | 90.5 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.5 | -45.4 | 174 | 171.4 | -99.4 | 0 | 0 | 0 | 112.5 | L1343 D1344 N1348 F1351 A1829 Q1870 V1871 R1872 L1876 G1877 L1878 | L1343-Y1874 HydrophobicContact CD2-CD1 3.8Å; L1343-Y1874 HydrophobicContact CD2-CD2 4.33Å; L1343-Y1874 HydrophobicContact CD2-CE1 4.46Å; L1343-Y1874 HydrophobicContact CD2-CG 3.73Å; D1344-Y1874 WeakPolarHBondContact O-CE2 3.31Å; D1344-Y1874 PolarHBondContact O-OH 3.42Å; N1348-Y1874 HydrophobicContact CB-CD2 3.84Å; N1348-Y1874 HydrophobicContact CB-CE2 3.64Å; N1348-Y1874 PolarHBondContact ND2-O 3.27Å; F1351-Y1874 HydrophobicContact CB-CD2 4.3Å; F1351-Y1874 HydrophobicContact CD1-CD2 4.41Å; F1351-Y1874 HydrophobicContact CG-CD2 4.18Å; A1829-Y1874 HydrophobicContact CB-CD1 4.44Å; Q1870-Y1874 WeakPolarHBondContact O-CB 3.38Å; Q1870-Y1874 PolarHBondContact O-N 3.12Å; V1871-Y1874 PolarHBondContact O-N 2.97Å; R1872-Y1874 VanDerWaalsContact C-N 3.35Å; Y1874-L1876 VanDerWaalsContact C-N 3.32Å; Y1874-L1876 PolarHBondContact O-N 3.25Å; Y1874-G1877 CarbonylContact O-C 3.52Å; Y1874-G1877 WeakPolarHBondContact O-CA 3.44Å; Y1874-G1877 PolarHBondContact O-N 3.03Å; Y1874-G1877 VanDerWaalsContact O-N 3.16Å; Y1874-L1878 HydrophobicContact CD1-CD1 4.29Å; Y1874-L1878 HydrophobicContact CD1-CG 4.42Å; Y1874-L1878 HydrophobicContact CE1-CD1 3.65Å; Y1874-L1878 HydrophobicContact CE1-CD2 4.39Å; Y1874-L1878 HydrophobicContact CE1-CG 4.08Å; Y1874-L1878 HydrophobicContact CE2-CD2 4.26Å; Y1874-L1878 HydrophobicContact CE2-CG 4.45Å; Y1874-L1878 WeakPolarHBondContact O-CG 3.42Å; Y1874-L1878 PolarHBondContact O-N 3.2Å |
| 1875 | G | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1830 V1871 R1872 L1873 G1877 L1878 F1879 | F1830-G1875 VanDerWaalsContact CZ-C 3.48Å; V1871-G1875 PolarHBondContact O-N 3.17Å; R1872-G1875 PolarHBondContact O-N 3.19Å; L1873-G1875 VanDerWaalsContact C-N 3.31Å; L1873-G1875 PolarHBondContact O-N 3.1Å; G1875-G1877 VanDerWaalsContact C-N 3.32Å; G1875-G1877 PolarHBondContact O-N 2.88Å; G1875-L1878 WeakPolarHBondContact O-CB 3.35Å; G1875-L1878 PolarHBondContact O-N 3.04Å; G1875-F1879 WeakPolarHBondContact O-CB 3.31Å; G1875-F1879 PolarHBondContact O-N 3.05Å |
| 1876 | L | 91.8 | Very high | 89.7 | Confident | 2.4 Ų | 2.4 | 34.3 Ų | 34.3 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 172.1 | 178.8 | 58 | 0 | 0 | 0 | 112.2 | F1830 R1872 L1873 Y1874 L1878 F1879 N1880 N1894 I1898 H1920 L1921 | F1830-L1876 HydrophobicContact CE1-CB 4.15Å; F1830-L1876 HydrophobicContact CZ-CB 4.15Å; F1830-L1876 HydrophobicContact CZ-CD1 4.48Å; R1872-L1876 PolarHBondContact O-N 3.07Å; L1873-L1876 CarbonylContact O-C 3.58Å; L1873-L1876 WeakPolarHBondContact O-CA 3.38Å; L1873-L1876 WeakPolarHBondContact O-CB 3.4Å; L1873-L1876 PolarHBondContact O-N 3.07Å; L1873-L1876 VanDerWaalsContact O-N 3.12Å; Y1874-L1876 VanDerWaalsContact C-N 3.32Å; Y1874-L1876 PolarHBondContact O-N 3.25Å; L1876-L1878 VanDerWaalsContact C-N 3.33Å; L1876-F1879 HydrophobicContact CD1-CD1 4.48Å; L1876-F1879 PolarHBondContact O-N 3.29Å; L1876-N1880 WeakPolarHBondContact CD1-OD1 3.33Å; L1876-N1880 VanDerWaalsContact O-CB 3.27Å; L1876-N1880 WeakPolarHBondContact O-CB 3.35Å; L1876-N1880 VanDerWaalsContact O-CG 3.3Å; L1876-N1880 PolarHBondContact O-N 3.14Å; L1876-N1880 PolarHBondContact O-ND2 3.15Å; L1876-N1880 PolarHBondContact O-OD1 3.36Å; L1876-N1894 HydrophobicContact CD2-CB 4.28Å; L1876-I1898 HydrophobicContact CD2-CD1 3.57Å; L1876-H1920 HydrophobicContact CD2-CB 4.32Å; L1876-H1920 VanDerWaalsContact CD2-O 3.29Å; L1876-H1920 WeakPolarHBondContact CD2-O 3.43Å; L1876-H1920 WeakPolarHBondContact CG-O 3.46Å; L1876-L1921 HydrophobicContact CD2-CD2 4.29Å |
| 1877 | G | 91 | Very high | 89.1 | Confident | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1873 Y1874 G1875 N1880 R1881 H1920 | L1873-G1877 PolarHBondContact O-N 3.09Å; L1873-G1877 VanDerWaalsContact O-N 3.09Å; Y1874-G1877 CarbonylContact O-C 3.52Å; Y1874-G1877 WeakPolarHBondContact O-CA 3.44Å; Y1874-G1877 PolarHBondContact O-N 3.03Å; Y1874-G1877 VanDerWaalsContact O-N 3.16Å; G1875-G1877 VanDerWaalsContact C-N 3.32Å; G1875-G1877 PolarHBondContact O-N 2.88Å; G1877-N1880 PolarHBondContact O-N 3.16Å; G1877-R1881 WeakPolarHBondContact O-CD 3.48Å; G1877-R1881 VanDerWaalsContact O-CG 3.26Å; G1877-R1881 WeakPolarHBondContact O-CG 3.34Å; G1877-R1881 PolarHBondContact O-N 3.12Å; G1877-H1920 WeakPolarHBondContact CA-CD2 3.37Å; G1877-H1920 WeakPolarHBondContact CA-NE2 3.25Å; G1877-H1920 PolarHBondContact N-CD2 3.34Å; G1877-H1920 VanDerWaalsContact N-CD2 3.29Å |
| 1878 | L | 90.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 171.3 | -62.4 | -170.2 | 0 | 0 | 0 | 111.4 | N1348 L1821 M1825 A1826 A1829 Y1874 G1875 L1876 N1880 R1881 L1882 | N1348-L1878 HydrophobicContact CB-CD2 4.01Å; L1821-L1878 HydrophobicContact CD1-CB 4.17Å; L1821-L1878 HydrophobicContact CD1-CD1 4.37Å; L1821-L1878 HydrophobicContact CD1-CD2 3.88Å; L1821-L1878 HydrophobicContact CD1-CG 4.37Å; L1821-L1878 HydrophobicContact CD2-CD2 4.42Å; M1825-L1878 HydrophobicContact CB-CD1 4.12Å; M1825-L1878 HydrophobicContact CG-CD1 4.24Å; M1825-L1878 HydrophobicContact SD-CD1 4.48Å; A1826-L1878 HydrophobicContact CB-CB 3.95Å; A1829-L1878 HydrophobicContact CB-CD1 4.47Å; Y1874-L1878 HydrophobicContact CD1-CD1 4.29Å; Y1874-L1878 HydrophobicContact CD1-CG 4.42Å; Y1874-L1878 HydrophobicContact CE1-CD1 3.65Å; Y1874-L1878 HydrophobicContact CE1-CD2 4.39Å; Y1874-L1878 HydrophobicContact CE1-CG 4.08Å; Y1874-L1878 HydrophobicContact CE2-CD2 4.26Å; Y1874-L1878 HydrophobicContact CE2-CG 4.45Å; Y1874-L1878 WeakPolarHBondContact O-CG 3.42Å; Y1874-L1878 PolarHBondContact O-N 3.2Å; G1875-L1878 WeakPolarHBondContact O-CB 3.35Å; G1875-L1878 PolarHBondContact O-N 3.04Å; L1876-L1878 VanDerWaalsContact C-N 3.33Å; L1878-N1880 PolarHBondContact O-N 3.19Å; L1878-R1881 PolarHBondContact O-N 3.21Å; L1878-L1882 WeakPolarHBondContact O-CD1 3.29Å; L1878-L1882 PolarHBondContact O-N 3.18Å |
| 1879 | F | 89 | Confident | 87.4 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 179.1 | -172.2 | -109.1 | 0 | 0 | 0 | 112.7 | D1823 A1826 F1830 G1875 L1876 R1881 L1882 L1883 | D1823-F1879 WeakPolarHBondContact OD1-CE2 3.47Å; A1826-F1879 HydrophobicContact CB-CB 4.01Å; A1826-F1879 HydrophobicContact CB-CD2 4.41Å; F1830-F1879 HydrophobicContact CE2-CB 4.24Å; F1830-F1879 HydrophobicContact CE2-CG 4.43Å; F1830-F1879 HydrophobicContact CZ-CB 4.3Å; G1875-F1879 WeakPolarHBondContact O-CB 3.31Å; G1875-F1879 PolarHBondContact O-N 3.05Å; L1876-F1879 HydrophobicContact CD1-CD1 4.48Å; L1876-F1879 PolarHBondContact O-N 3.29Å; F1879-R1881 VanDerWaalsContact C-N 3.31Å; F1879-R1881 PolarHBondContact O-N 3.23Å; F1879-L1882 WeakPolarHBondContact O-CB 3.29Å; F1879-L1882 PolarHBondContact O-N 3.13Å; F1879-L1882 VanDerWaalsContact O-N 3.12Å; F1879-L1883 HydrophobicContact CD1-CD1 4.12Å; F1879-L1883 HydrophobicContact CE1-CD1 3.48Å; F1879-L1883 VanDerWaalsContact CE1-CD1 3.44Å; F1879-L1883 HydrophobicContact CE2-CD1 4.27Å; F1879-L1883 HydrophobicContact CZ-CD1 3.58Å; F1879-L1883 VanDerWaalsContact CZ-CD1 3.45Å |
| 1880 | N | 90.4 | Very high | 86.1 | Confident | 2.2 Ų | 2.2 | 51.9 Ų | 51.9 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.5 | -73.3 | -9.1 | 0 | 0 | 0 | 112 | L1876 G1877 L1878 L1882 L1883 W1886 R1889 Q1919 H1920 | L1876-N1880 WeakPolarHBondContact CD1-OD1 3.33Å; L1876-N1880 VanDerWaalsContact O-CB 3.27Å; L1876-N1880 WeakPolarHBondContact O-CB 3.35Å; L1876-N1880 VanDerWaalsContact O-CG 3.3Å; L1876-N1880 PolarHBondContact O-N 3.14Å; L1876-N1880 PolarHBondContact O-ND2 3.15Å; L1876-N1880 PolarHBondContact O-OD1 3.36Å; G1877-N1880 PolarHBondContact O-N 3.16Å; L1878-N1880 PolarHBondContact O-N 3.19Å; N1880-L1882 PolarHBondContact O-N 3.06Å; N1880-L1882 VanDerWaalsContact O-N 3.11Å; N1880-L1883 CarbonylContact O-C 3.55Å; N1880-L1883 PolarHBondContact O-N 3.17Å; N1880-L1883 VanDerWaalsContact O-N 3.11Å; N1880-L1883 VanDerWaalsContact O-O 3.14Å; N1880-W1886 HydrophobicContact CB-CB 4.34Å; N1880-W1886 HydrophobicContact CB-CD2 3.81Å; N1880-W1886 HydrophobicContact CB-CE3 4.45Å; N1880-W1886 HydrophobicContact CB-CG 3.7Å; N1880-R1889 PolarHBondContact ND2-NH1 3.29Å; N1880-R1889 PolarHBondContact OD1-NH1 3.06Å; N1880-R1889 PolarHBondContact OD1-NH2 3.02Å; N1880-Q1919 WeakPolarHBondContact CB-O 3.2Å; N1880-Q1919 PolarHBondContact ND2-O 3.29Å; N1880-H1920 VanDerWaalsContact ND2-C 3.31Å; N1880-H1920 VanDerWaalsContact ND2-CA 3.29Å; N1880-H1920 WeakPolarHBondContact ND2-CA 3.42Å; N1880-H1920 PolarHBondContact ND2-O 3.25Å |
| 1881 | R | 86.5 | Confident | 84.7 | Confident | 130.6 Ų | 130.6 | 58.1 Ų | 58.1 | 49% | 0.493 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -16.4 | 176.8 | -74.6 | -176.5 | 112.7 | -160.3 | 3 | 114.2 | Y1347 L1821 G1877 L1878 F1879 | Y1347-R1881 WeakPolarHBondContact O-CD 3.41Å; Y1347-R1881 PolarHBondContact O-NH1 3.13Å; L1821-R1881 HydrophobicContact CD2-CB 3.55Å; L1821-R1881 VanDerWaalsContact CD2-CB 3.42Å; L1821-R1881 HydrophobicContact CD2-CG 4.46Å; G1877-R1881 WeakPolarHBondContact O-CD 3.48Å; G1877-R1881 VanDerWaalsContact O-CG 3.26Å; G1877-R1881 WeakPolarHBondContact O-CG 3.34Å; G1877-R1881 PolarHBondContact O-N 3.12Å; L1878-R1881 PolarHBondContact O-N 3.21Å; F1879-R1881 VanDerWaalsContact C-N 3.31Å; F1879-R1881 PolarHBondContact O-N 3.23Å |
| 1882 | L | 84.6 | Confident | 83.7 | Confident | 46.8 Ų | 46.8 | 58.4 Ų | 58.4 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -90.1 | -15.1 | 176.2 | -67.2 | 164 | 0 | 0 | 0 | 113.4 | L1821 S1822 D1823 A1826 L1878 F1879 N1880 P1884 | L1821-L1882 HydrophobicContact CB-CD2 4.15Å; L1821-L1882 HydrophobicContact CD2-CD1 4.48Å; L1821-L1882 HydrophobicContact CD2-CD2 4.12Å; L1821-L1882 HydrophobicContact CD2-CG 4.02Å; L1821-L1882 HydrophobicContact CG-CD1 4.22Å; L1821-L1882 HydrophobicContact CG-CD2 3.86Å; L1821-L1882 HydrophobicContact CG-CG 3.97Å; L1821-L1882 WeakPolarHBondContact O-CD2 3.43Å; S1822-L1882 VanDerWaalsContact C-CD1 3.45Å; S1822-L1882 WeakPolarHBondContact O-CD1 3.32Å; D1823-L1882 HydrophobicContact CB-CD1 4.42Å; D1823-L1882 WeakPolarHBondContact OD1-CD1 3.34Å; A1826-L1882 HydrophobicContact CB-CD1 4.38Å; L1878-L1882 WeakPolarHBondContact O-CD1 3.29Å; L1878-L1882 PolarHBondContact O-N 3.18Å; F1879-L1882 WeakPolarHBondContact O-CB 3.29Å; F1879-L1882 PolarHBondContact O-N 3.13Å; F1879-L1882 VanDerWaalsContact O-N 3.12Å; N1880-L1882 PolarHBondContact O-N 3.06Å; N1880-L1882 VanDerWaalsContact O-N 3.11Å; L1882-P1884 WeakPolarHBondContact O-CD 3.44Å |
| 1883 | L | 83.9 | Confident | 82.9 | Confident | 64.6 Ų | 64.6 | 67.6 Ų | 67.6 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | trans | -119.7 | 94 | -174.8 | -66.2 | 178 | 0 | 0 | 0 | 110.8 | F1879 N1880 S1885 W1886 | F1879-L1883 HydrophobicContact CD1-CD1 4.12Å; F1879-L1883 HydrophobicContact CE1-CD1 3.48Å; F1879-L1883 VanDerWaalsContact CE1-CD1 3.44Å; F1879-L1883 HydrophobicContact CE2-CD1 4.27Å; F1879-L1883 HydrophobicContact CZ-CD1 3.58Å; F1879-L1883 VanDerWaalsContact CZ-CD1 3.45Å; N1880-L1883 CarbonylContact O-C 3.55Å; N1880-L1883 PolarHBondContact O-N 3.17Å; N1880-L1883 VanDerWaalsContact O-N 3.11Å; N1880-L1883 VanDerWaalsContact O-O 3.14Å; L1883-S1885 PolarHBondContact O-N 3.09Å; L1883-W1886 HydrophobicContact CB-CB 4.27Å; L1883-W1886 WeakPolarHBondContact O-CB 3.39Å; L1883-W1886 VanDerWaalsContact O-CD1 3.27Å; L1883-W1886 PolarHBondContact O-N 3Å | ||
| 1884 | P | 75.3 | Confident | 82.4 | Confident | 125.4 Ų | 125.4 | 68.2 Ų | 68.2 | 81% | 0.814 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -13.2 | -176.7 | -27.3 | 35.7 | 0 | 0 | 0 | 116.2 | L1882 Q1887 | L1882-P1884 WeakPolarHBondContact O-CD 3.44Å; P1884-Q1887 PolarHBondContact O-OE1 3.1Å |
| 1885 | S | 81.7 | Confident | 81.9 | Confident | 79.4 Ų | 79.4 | 66.2 Ų | 66.2 | 56% | 0.555 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 6 | 178.1 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | L1883 Q1887 N1888 | L1883-S1885 PolarHBondContact O-N 3.09Å; S1885-Q1887 VanDerWaalsContact C-N 3.29Å; S1885-Q1887 PolarHBondContact O-N 3.12Å; S1885-Q1887 VanDerWaalsContact O-N 3.1Å; S1885-N1888 WeakPolarHBondContact O-CB 3.26Å; S1885-N1888 PolarHBondContact O-N 3.15Å; S1885-N1888 VanDerWaalsContact O-N 3.09Å |
| 1886 | W | 85.3 | Confident | 81.6 | Confident | 20.6 Ų | 20.6 | 68.8 Ų | 68.8 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60 | -31.2 | -171.2 | 77.7 | -98.1 | 0 | 0 | 0 | 113.5 | N1880 L1883 N1888 R1889 Q1918 Q1919 L1921 T1922 | N1880-W1886 HydrophobicContact CB-CB 4.34Å; N1880-W1886 HydrophobicContact CB-CD2 3.81Å; N1880-W1886 HydrophobicContact CB-CE3 4.45Å; N1880-W1886 HydrophobicContact CB-CG 3.7Å; L1883-W1886 HydrophobicContact CB-CB 4.27Å; L1883-W1886 WeakPolarHBondContact O-CB 3.39Å; L1883-W1886 VanDerWaalsContact O-CD1 3.27Å; L1883-W1886 PolarHBondContact O-N 3Å; W1886-N1888 PolarHBondContact O-N 3.03Å; W1886-R1889 VanDerWaalsContact CB-NH2 3.3Å; W1886-R1889 WeakPolarHBondContact O-CB 3.41Å; W1886-R1889 WeakPolarHBondContact O-CD 3.4Å; W1886-R1889 VanDerWaalsContact O-CG 3.31Å; W1886-R1889 WeakPolarHBondContact O-CG 3.4Å; W1886-R1889 PolarHBondContact O-N 3.17Å; W1886-Q1918 WeakPolarHBondContact CH2-O 3.41Å; W1886-Q1919 HydrophobicContact CZ2-CB 4.41Å; W1886-L1921 WeakPolarHBondContact CZ3-O 3.41Å; W1886-T1922 HydrophobicContact CE3-CG2 4.24Å; W1886-T1922 HydrophobicContact CZ3-CG2 4.1Å |
| 1887 | Q | 78.9 | Confident | 81.5 | Confident | 87.6 Ų | 87.6 | 70.4 Ų | 70.4 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -62.7 | -26.9 | 178.3 | -63.6 | 86.3 | -17.7 | 0 | 0 | 112.5 | P1884 S1885 R1889 T1922 | P1884-Q1887 PolarHBondContact O-OE1 3.1Å; S1885-Q1887 VanDerWaalsContact C-N 3.29Å; S1885-Q1887 PolarHBondContact O-N 3.12Å; S1885-Q1887 VanDerWaalsContact O-N 3.1Å; Q1887-R1889 VanDerWaalsContact C-N 3.34Å; Q1887-T1922 VanDerWaalsContact O-CG2 3.31Å; Q1887-T1922 WeakPolarHBondContact O-CG2 3.38Å |
| 1888 | N | 75.8 | Confident | 81.5 | Confident | 140.2 Ų | 140.2 | 70.4 Ų | 70.4 | 75% | 0.75 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -92.2 | 5.3 | -177.5 | -64 | -2.3 | 0 | 0 | 0 | 112.7 | S1885 W1886 T1890 | S1885-N1888 WeakPolarHBondContact O-CB 3.26Å; S1885-N1888 PolarHBondContact O-N 3.15Å; S1885-N1888 VanDerWaalsContact O-N 3.09Å; W1886-N1888 PolarHBondContact O-N 3.03Å; N1888-T1890 PolarHBondContact O-N 3.38Å |
| 1889 | R | 75.4 | Confident | 81.5 | Confident | 49.6 Ų | 49.6 | 70.4 Ų | 70.4 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | trans | -67.9 | 131.5 | -179.9 | 69 | -168.2 | -173.2 | -131.4 | 1.3 | 110.9 | N1880 W1886 Q1887 F1891 H1920 T1922 E1925 | N1880-R1889 PolarHBondContact ND2-NH1 3.29Å; N1880-R1889 PolarHBondContact OD1-NH1 3.06Å; N1880-R1889 PolarHBondContact OD1-NH2 3.02Å; W1886-R1889 VanDerWaalsContact CB-NH2 3.3Å; W1886-R1889 WeakPolarHBondContact O-CB 3.41Å; W1886-R1889 WeakPolarHBondContact O-CD 3.4Å; W1886-R1889 VanDerWaalsContact O-CG 3.31Å; W1886-R1889 WeakPolarHBondContact O-CG 3.4Å; W1886-R1889 PolarHBondContact O-N 3.17Å; Q1887-R1889 VanDerWaalsContact C-N 3.34Å; R1889-F1891 VanDerWaalsContact C-N 3.3Å; R1889-F1891 WeakPolarHBondContact CD-O 3.35Å; R1889-F1891 WeakPolarHBondContact CG-O 3.4Å; R1889-H1920 PolarHBondContact NH2-O 3.32Å; R1889-T1922 HydrophobicContact CG-CG2 3.87Å; R1889-E1925 IonicContact CZ-OE1 3.24Å; R1889-E1925 IonicContact CZ-OE2 3.27Å; R1889-E1925 IonicContact NE-OE1 3.36Å; R1889-E1925 PolarHBondContact NE-OE1 3.35Å; R1889-E1925 IonicContact NE-OE2 3.28Å; R1889-E1925 PolarHBondContact NE-OE2 2.89Å; R1889-E1925 VanDerWaalsContact NE-OE2 3.17Å; R1889-E1925 IonicContact NH2-OE1 3.45Å; R1889-E1925 PolarHBondContact NH2-OE1 3.37Å; R1889-E1925 IonicContact NH2-OE2 3.15Å; R1889-E1925 PolarHBondContact NH2-OE2 3.12Å | ||
| 1890 | T | 66.7 | Low | 81.6 | Confident | 129 Ų | 129 | 71.2 Ų | 71.2 | 79% | 0.791 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -89.1 | -9 | 171.6 | 51.7 | 0 | 0 | 0 | 0 | 113 | N1888 | N1888-T1890 PolarHBondContact O-N 3.38Š|
| 1891 | F | 65.4 | Low | 81.6 | Confident | 164.2 Ų | 164.2 | 71.2 Ų | 71.2 | 72% | 0.72 | 37% | 0.369 | S | S | * | . | trans | -148 | 139.7 | -180 | -179.9 | -97.8 | 0 | 0 | 0 | 110.4 | R1889 | R1889-F1891 VanDerWaalsContact C-N 3.3Å; R1889-F1891 WeakPolarHBondContact CD-O 3.35Å; R1889-F1891 WeakPolarHBondContact CG-O 3.4Å | ||
| 1892 | S | 72.7 | Confident | 81.8 | Confident | 17.2 Ų | 17.2 | 65 Ų | 65 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | trans | -127.4 | 127 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | N1894 G1895 E1925 | S1892-N1894 PolarHBondContact O-N 3.09Å; S1892-N1894 VanDerWaalsContact O-N 3.1Å; S1892-N1894 PolarHBondContact OG-N 3.39Å; S1892-N1894 VanDerWaalsContact OG-N 3.13Å; S1892-G1895 PolarHBondContact O-N 3.14Å; S1892-G1895 PolarHBondContact OG-N 3.15Å; S1892-E1925 WeakPolarHBondContact CB-OE1 3.34Å; S1892-E1925 PolarHBondContact N-OE1 2.88Å | ||
| 1893 | R | 76.4 | Confident | 82 | Confident | 218 Ų | 218 | 66.6 Ų | 66.6 | 82% | 0.823 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.2 | 171.8 | -175.2 | 178 | 178.4 | -171.5 | -0.7 | 112.7 | ||
| 1894 | N | 83.6 | Confident | 82.1 | Confident | 15.4 Ų | 15.4 | 65.8 Ų | 65.8 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.5 | 178.3 | -74.3 | -52 | 0 | 0 | 0 | 113.7 | F1830 R1872 L1876 S1892 G1896 W1897 I1898 | F1830-N1894 WeakPolarHBondContact CE1-ND2 3.45Å; F1830-N1894 VanDerWaalsContact CZ-ND2 3.34Å; F1830-N1894 WeakPolarHBondContact CZ-ND2 3.37Å; R1872-N1894 PolarHBondContact NE-OD1 3.28Å; R1872-N1894 PolarHBondContact NH2-OD1 3.05Å; R1872-N1894 VanDerWaalsContact NH2-OD1 3.09Å; L1876-N1894 HydrophobicContact CD2-CB 4.28Å; S1892-N1894 PolarHBondContact O-N 3.09Å; S1892-N1894 VanDerWaalsContact O-N 3.1Å; S1892-N1894 PolarHBondContact OG-N 3.39Å; S1892-N1894 VanDerWaalsContact OG-N 3.13Å; N1894-G1896 PolarHBondContact O-N 3.29Å; N1894-W1897 PolarHBondContact O-N 3.08Å; N1894-I1898 HydrophobicContact CB-CD1 4.17Å; N1894-I1898 WeakPolarHBondContact O-CB 3.27Å; N1894-I1898 VanDerWaalsContact O-CG1 3.3Å; N1894-I1898 WeakPolarHBondContact O-CG1 3.43Å; N1894-I1898 PolarHBondContact O-N 3.28Å |
| 1895 | G | 82.4 | Confident | 82.8 | Confident | 15.4 Ų | 15.4 | 60.1 Ų | 60.1 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1892 I1898 S1899 | S1892-G1895 PolarHBondContact O-N 3.14Å; S1892-G1895 PolarHBondContact OG-N 3.15Å; G1895-I1898 PolarHBondContact O-N 3.18Å; G1895-S1899 PolarHBondContact O-N 3.16Å |
| 1896 | G | 85.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1894 S1899 Q1900 | N1894-G1896 PolarHBondContact O-N 3.29Å; G1896-S1899 PolarHBondContact O-N 3.14Å; G1896-Q1900 WeakPolarHBondContact O-CB 3.42Å; G1896-Q1900 PolarHBondContact O-N 3.13Å |
| 1897 | W | 90 | Very high | 83.5 | Confident | 36.8 Ų | 36.8 | 58 Ų | 58 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.1 | -176 | 93.3 | 0 | 0 | 0 | 111.8 | R1837 F1869 R1872 N1894 Q1900 Q1901 | R1837-W1897 VanDerWaalsContact NH1-NE1 3.17Å; F1869-W1897 HydrophobicContact CD2-CH2 4.35Å; F1869-W1897 AromaticContact CD2-CZ3 3.96Å; F1869-W1897 HydrophobicContact CD2-CZ3 3.99Å; F1869-W1897 HydrophobicContact CE2-CZ3 4.46Å; R1872-W1897 HydrophobicContact CB-CE3 4.46Å; R1872-W1897 HydrophobicContact CB-CH2 3.64Å; R1872-W1897 HydrophobicContact CB-CZ2 4.49Å; R1872-W1897 HydrophobicContact CB-CZ3 3.68Å; R1872-W1897 VanDerWaalsContact CD-CH2 3.48Å; R1872-W1897 HydrophobicContact CG-CE3 3.89Å; R1872-W1897 HydrophobicContact CG-CH2 3.7Å; R1872-W1897 HydrophobicContact CG-CZ2 4.39Å; R1872-W1897 HydrophobicContact CG-CZ3 3.42Å; R1872-W1897 VanDerWaalsContact CG-CZ3 3.43Å; N1894-W1897 PolarHBondContact O-N 3.08Å; W1897-Q1900 PolarHBondContact O-N 3.02Å; W1897-Q1901 HydrophobicContact CD2-CG 3.82Å; W1897-Q1901 HydrophobicContact CE3-CG 3.89Å; W1897-Q1901 HydrophobicContact CG-CG 4.47Å; W1897-Q1901 HydrophobicContact CH2-CB 4.49Å; W1897-Q1901 HydrophobicContact CH2-CG 3.66Å; W1897-Q1901 HydrophobicContact CZ2-CG 3.58Å; W1897-Q1901 HydrophobicContact CZ3-CB 4.38Å; W1897-Q1901 HydrophobicContact CZ3-CG 3.8Å; W1897-Q1901 VanDerWaalsContact O-CG 3.32Å; W1897-Q1901 WeakPolarHBondContact O-CG 3.34Å; W1897-Q1901 PolarHBondContact O-N 3.17Å |
| 1898 | I | 91.8 | Very high | 84.1 | Confident | 1.6 Ų | 1.6 | 55.5 Ų | 55.5 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.9 | -69.8 | 170.6 | 0 | 0 | 0 | 110 | F1869 L1873 L1876 N1894 G1895 Q1900 Q1901 V1902 L1913 L1921 I1929 | F1869-I1898 HydrophobicContact CE2-CG2 4.2Å; F1869-I1898 HydrophobicContact CZ-CG2 4.41Å; L1873-I1898 HydrophobicContact CD1-CD1 4.45Å; L1873-I1898 HydrophobicContact CD2-CD1 3.9Å; L1873-I1898 HydrophobicContact CD2-CG1 4.39Å; L1876-I1898 HydrophobicContact CD2-CD1 3.57Å; N1894-I1898 HydrophobicContact CB-CD1 4.17Å; N1894-I1898 WeakPolarHBondContact O-CB 3.27Å; N1894-I1898 VanDerWaalsContact O-CG1 3.3Å; N1894-I1898 WeakPolarHBondContact O-CG1 3.43Å; N1894-I1898 PolarHBondContact O-N 3.28Å; G1895-I1898 PolarHBondContact O-N 3.18Å; I1898-Q1900 PolarHBondContact O-N 3.19Å; I1898-Q1901 PolarHBondContact O-N 3.31Å; I1898-V1902 HydrophobicContact CG2-CG2 4.26Å; I1898-V1902 VanDerWaalsContact O-CG2 3.28Å; I1898-V1902 WeakPolarHBondContact O-CG2 3.36Å; I1898-V1902 PolarHBondContact O-N 3.03Å; I1898-L1913 HydrophobicContact CG2-CD1 4.08Å; I1898-L1913 HydrophobicContact CG2-CD2 4.15Å; I1898-L1921 HydrophobicContact CD1-CD2 3.96Å; I1898-L1921 HydrophobicContact CG2-CD1 4.48Å; I1898-I1929 HydrophobicContact CG2-CD1 3.94Å |
| 1899 | S | 90.6 | Very high | 85 | Confident | 4.8 Ų | 4.8 | 48.8 Ų | 48.8 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 177.3 | -158.1 | 0 | 0 | 0 | 0 | 111.4 | G1895 G1896 Q1901 V1902 F1903 Q1932 | G1895-S1899 PolarHBondContact O-N 3.16Å; G1896-S1899 PolarHBondContact O-N 3.14Å; S1899-Q1901 VanDerWaalsContact C-N 3.34Å; S1899-Q1901 PolarHBondContact O-N 2.98Å; S1899-V1902 PolarHBondContact O-N 3.19Å; S1899-V1902 VanDerWaalsContact O-N 3.11Å; S1899-F1903 WeakPolarHBondContact O-CD2 3.39Å; S1899-F1903 PolarHBondContact O-N 3.27Å; S1899-F1903 VanDerWaalsContact O-N 3.07Å; S1899-Q1932 VanDerWaalsContact OG-CD 3.25Å; S1899-Q1932 PolarHBondContact OG-NE2 3.2Å; S1899-Q1932 PolarHBondContact OG-OE1 3.19Å |
| 1900 | Q | 89.8 | Confident | 85.8 | Confident | 91.8 Ų | 91.8 | 46.5 Ų | 46.5 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58 | -44.6 | 178.5 | 179.9 | 75.2 | 19.8 | 0 | 0 | 112.4 | G1896 W1897 I1898 V1902 F1903 E1904 | G1896-Q1900 WeakPolarHBondContact O-CB 3.42Å; G1896-Q1900 PolarHBondContact O-N 3.13Å; W1897-Q1900 PolarHBondContact O-N 3.02Å; I1898-Q1900 PolarHBondContact O-N 3.19Å; Q1900-V1902 VanDerWaalsContact C-N 3.34Å; Q1900-V1902 PolarHBondContact O-N 3Å; Q1900-F1903 WeakPolarHBondContact O-CB 3.43Å; Q1900-F1903 PolarHBondContact O-N 3.12Å; Q1900-E1904 HydrophobicContact CG-CG 4.44Å; Q1900-E1904 VanDerWaalsContact CG-OE1 3.28Å; Q1900-E1904 WeakPolarHBondContact CG-OE1 3.42Å; Q1900-E1904 PolarHBondContact NE2-OE1 3.17Å; Q1900-E1904 WeakPolarHBondContact O-CG 3.31Å; Q1900-E1904 PolarHBondContact O-N 3.16Å |
| 1901 | Q | 90.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -32.8 | 175.8 | -68 | -56.2 | -87.5 | 0 | 0 | 113 | R1837 F1869 W1897 I1898 S1899 F1903 E1904 I1905 | R1837-Q1901 VanDerWaalsContact NH1-OE1 3.09Å; F1869-Q1901 HydrophobicContact CD2-CB 3.72Å; F1869-Q1901 HydrophobicContact CD2-CG 4.21Å; F1869-Q1901 HydrophobicContact CE2-CB 3.99Å; W1897-Q1901 HydrophobicContact CD2-CG 3.82Å; W1897-Q1901 HydrophobicContact CE3-CG 3.89Å; W1897-Q1901 HydrophobicContact CG-CG 4.47Å; W1897-Q1901 HydrophobicContact CH2-CB 4.49Å; W1897-Q1901 HydrophobicContact CH2-CG 3.66Å; W1897-Q1901 HydrophobicContact CZ2-CG 3.58Å; W1897-Q1901 HydrophobicContact CZ3-CB 4.38Å; W1897-Q1901 HydrophobicContact CZ3-CG 3.8Å; W1897-Q1901 VanDerWaalsContact O-CG 3.32Å; W1897-Q1901 WeakPolarHBondContact O-CG 3.34Å; W1897-Q1901 PolarHBondContact O-N 3.17Å; I1898-Q1901 PolarHBondContact O-N 3.31Å; S1899-Q1901 VanDerWaalsContact C-N 3.34Å; S1899-Q1901 PolarHBondContact O-N 2.98Å; Q1901-F1903 VanDerWaalsContact C-N 3.28Å; Q1901-F1903 PolarHBondContact O-N 3.34Å; Q1901-E1904 VanDerWaalsContact NE2-CD 3.27Å; Q1901-E1904 PolarHBondContact NE2-OE1 3.25Å; Q1901-E1904 PolarHBondContact NE2-OE2 3.33Å; Q1901-E1904 PolarHBondContact O-N 3.24Å; Q1901-I1905 HydrophobicContact CB-CD1 4.33Å; Q1901-I1905 WeakPolarHBondContact O-CB 3.43Å; Q1901-I1905 WeakPolarHBondContact O-CD1 3.31Å; Q1901-I1905 VanDerWaalsContact O-CG1 3.24Å; Q1901-I1905 WeakPolarHBondContact O-CG1 3.36Å; Q1901-I1905 PolarHBondContact O-N 3.13Å |
| 1902 | V | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -26.2 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | F1869 I1898 S1899 Q1900 G1906 A1909 A1910 L1913 L1933 | F1869-V1902 HydrophobicContact CE2-CG2 3.83Å; F1869-V1902 HydrophobicContact CZ-CG2 3.58Å; F1869-V1902 VanDerWaalsContact CZ-CG2 3.46Å; I1898-V1902 HydrophobicContact CG2-CG2 4.26Å; I1898-V1902 VanDerWaalsContact O-CG2 3.28Å; I1898-V1902 WeakPolarHBondContact O-CG2 3.36Å; I1898-V1902 PolarHBondContact O-N 3.03Å; S1899-V1902 PolarHBondContact O-N 3.19Å; S1899-V1902 VanDerWaalsContact O-N 3.11Å; Q1900-V1902 VanDerWaalsContact C-N 3.34Å; Q1900-V1902 PolarHBondContact O-N 3Å; V1902-G1906 WeakPolarHBondContact O-CA 3.31Å; V1902-G1906 PolarHBondContact O-N 3.19Å; V1902-A1909 HydrophobicContact CB-CB 4.32Å; V1902-A1909 HydrophobicContact CG1-CB 4.25Å; V1902-A1909 HydrophobicContact CG2-CB 4.06Å; V1902-A1910 HydrophobicContact CG1-CB 3.89Å; V1902-L1913 HydrophobicContact CG1-CD1 4.48Å; V1902-L1913 HydrophobicContact CG2-CD1 3.56Å; V1902-L1913 HydrophobicContact CG2-CD2 4.34Å; V1902-L1913 HydrophobicContact CG2-CG 4.18Å; V1902-L1933 HydrophobicContact CB-CD2 4.43Å; V1902-L1933 HydrophobicContact CG1-CD1 3.69Å; V1902-L1933 HydrophobicContact CG1-CD2 3.86Å; V1902-L1933 HydrophobicContact CG1-CG 4.39Å |
| 1903 | F | 88.3 | Confident | 89.4 | Confident | 82 Ų | 82 | 33.1 Ų | 33.1 | 36% | 0.36 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.9 | -50.9 | 167.5 | -82.8 | -74.1 | 0 | 0 | 0 | 113.3 | S1899 Q1900 Q1901 I1905 G1906 Q1932 L1933 A1936 | S1899-F1903 WeakPolarHBondContact O-CD2 3.39Å; S1899-F1903 PolarHBondContact O-N 3.27Å; S1899-F1903 VanDerWaalsContact O-N 3.07Å; Q1900-F1903 WeakPolarHBondContact O-CB 3.43Å; Q1900-F1903 PolarHBondContact O-N 3.12Å; Q1901-F1903 VanDerWaalsContact C-N 3.28Å; Q1901-F1903 PolarHBondContact O-N 3.34Å; F1903-I1905 VanDerWaalsContact C-N 3.28Å; F1903-I1905 PolarHBondContact O-N 3.07Å; F1903-G1906 PolarHBondContact O-N 3.05Å; F1903-Q1932 HydrophobicContact CE2-CB 3.62Å; F1903-Q1932 VanDerWaalsContact CZ-C 3.48Å; F1903-Q1932 HydrophobicContact CZ-CB 3.66Å; F1903-Q1932 WeakPolarHBondContact CZ-O 3.32Å; F1903-L1933 HydrophobicContact CD1-CD2 4.13Å; F1903-L1933 HydrophobicContact CD2-CD2 4.29Å; F1903-L1933 HydrophobicContact CE1-CD2 4.01Å; F1903-L1933 HydrophobicContact CE2-CD2 4.16Å; F1903-L1933 HydrophobicContact CG-CD2 4.29Å; F1903-L1933 HydrophobicContact CZ-CD2 4.04Å; F1903-A1936 HydrophobicContact CE1-CB 4.4Å |
| 1904 | E | 87.8 | Confident | 90.2 | Very high | 46.6 Ų | 46.6 | 25.8 Ų | 25.8 | 22% | 0.218 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -37.2 | 178.9 | -73.8 | 172.3 | -155.9 | 0 | 0 | 111.9 | R1837 R1862 Q1900 Q1901 | R1837-E1904 IonicContact CZ-OE2 2.79Å; R1837-E1904 IonicContact NE-OE2 3.65Å; R1837-E1904 IonicContact NH2-OE1 3.12Å; R1837-E1904 PolarHBondContact NH2-OE1 2.9Å; R1837-E1904 VanDerWaalsContact NH2-OE1 3.15Å; R1837-E1904 IonicContact NH2-OE2 3.86Å; R1837-E1904 PolarHBondContact NH2-OE2 3.16Å; R1862-E1904 PolarHBondContact NH1-O 2.91Å; R1862-E1904 PolarHBondContact NH2-O 3.45Å; Q1900-E1904 HydrophobicContact CG-CG 4.44Å; Q1900-E1904 VanDerWaalsContact CG-OE1 3.28Å; Q1900-E1904 WeakPolarHBondContact CG-OE1 3.42Å; Q1900-E1904 PolarHBondContact NE2-OE1 3.17Å; Q1900-E1904 WeakPolarHBondContact O-CG 3.31Å; Q1900-E1904 PolarHBondContact O-N 3.16Å; Q1901-E1904 VanDerWaalsContact NE2-CD 3.27Å; Q1901-E1904 PolarHBondContact NE2-OE1 3.25Å; Q1901-E1904 PolarHBondContact NE2-OE2 3.33Å; Q1901-E1904 PolarHBondContact O-N 3.24Å |
| 1905 | I | 89.2 | Confident | 90.5 | Very high | 6.2 Ų | 6.2 | 28.5 Ų | 28.5 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -85.6 | -43.2 | 178.3 | -61 | 169.9 | 0 | 0 | 0 | 111 | R1862 Q1865 L1866 F1869 Q1901 F1903 A1909 | R1862-I1905 VanDerWaalsContact CZ-CA 3.43Å; R1862-I1905 VanDerWaalsContact CZ-O 3.22Å; R1862-I1905 PolarHBondContact NE-O 3.01Å; R1862-I1905 VanDerWaalsContact NH1-CA 3.32Å; R1862-I1905 PolarHBondContact NH1-O 3.32Å; R1862-I1905 VanDerWaalsContact NH2-CA 3.34Å; R1862-I1905 PolarHBondContact NH2-O 3.25Å; Q1865-I1905 HydrophobicContact CB-CD1 4.29Å; Q1865-I1905 HydrophobicContact CB-CG1 4.25Å; Q1865-I1905 HydrophobicContact CG-CD1 4.15Å; Q1865-I1905 HydrophobicContact CG-CG1 4Å; L1866-I1905 HydrophobicContact CD1-CG2 4.36Å; L1866-I1905 HydrophobicContact CD2-CD1 4.46Å; L1866-I1905 HydrophobicContact CD2-CG2 3.6Å; L1866-I1905 HydrophobicContact CG-CG2 4.23Å; F1869-I1905 HydrophobicContact CB-CD1 3.81Å; F1869-I1905 HydrophobicContact CD1-CD1 4.49Å; F1869-I1905 HydrophobicContact CD2-CD1 4.23Å; F1869-I1905 HydrophobicContact CG-CD1 4.02Å; Q1901-I1905 HydrophobicContact CB-CD1 4.33Å; Q1901-I1905 WeakPolarHBondContact O-CB 3.43Å; Q1901-I1905 WeakPolarHBondContact O-CD1 3.31Å; Q1901-I1905 VanDerWaalsContact O-CG1 3.24Å; Q1901-I1905 WeakPolarHBondContact O-CG1 3.36Å; Q1901-I1905 PolarHBondContact O-N 3.13Å; F1903-I1905 VanDerWaalsContact C-N 3.28Å; F1903-I1905 PolarHBondContact O-N 3.07Å; I1905-A1909 HydrophobicContact CB-CB 3.66Å; I1905-A1909 HydrophobicContact CD1-CB 4.14Å; I1905-A1909 HydrophobicContact CG1-CB 4.46Å; I1905-A1909 HydrophobicContact CG2-CB 3.56Å |
| 1906 | G | 90.3 | Very high | 90.8 | Very high | 11.4 Ų | 11.4 | 28.4 Ų | 28.4 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | trans | 77 | -144.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1902 F1903 P1908 A1909 A1910 | V1902-G1906 WeakPolarHBondContact O-CA 3.31Å; V1902-G1906 PolarHBondContact O-N 3.19Å; F1903-G1906 PolarHBondContact O-N 3.05Å; G1906-P1908 VanDerWaalsContact C-CD 3.45Å; G1906-P1908 VanDerWaalsContact C-N 3.34Å; G1906-P1908 VanDerWaalsContact O-N 3.11Å; G1906-A1909 PolarHBondContact O-N 3.15Å; G1906-A1910 PolarHBondContact O-N 3.13Å; G1906-A1910 VanDerWaalsContact O-N 3.1Å | ||
| 1907 | I | 91.7 | Very high | 91.1 | Very high | 44.8 Ų | 44.8 | 26.4 Ų | 26.4 | 23% | 0.23 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -45 | -48.7 | -166.3 | -51.5 | 164 | 0 | 0 | 0 | 113.8 | A1909 A1910 C1911 S1940 L1941 V1944 | I1907-A1909 VanDerWaalsContact C-N 3.33Å; I1907-A1909 PolarHBondContact O-N 3.31Å; I1907-A1910 WeakPolarHBondContact O-CB 3.29Å; I1907-A1910 PolarHBondContact O-N 3Å; I1907-A1910 VanDerWaalsContact O-N 3.1Å; I1907-C1911 WeakPolarHBondContact O-CB 3.27Å; I1907-C1911 PolarHBondContact O-N 3.19Å; I1907-C1911 PolarHBondContact O-SG 3.08Å; I1907-C1911 VanDerWaalsContact O-SG 3.33Å; I1907-S1940 VanDerWaalsContact CD1-OG 3.26Å; I1907-S1940 WeakPolarHBondContact CD1-OG 3.42Å; I1907-L1941 HydrophobicContact CG1-CB 4.28Å; I1907-L1941 HydrophobicContact CG1-CD1 4.35Å; I1907-V1944 HydrophobicContact CG2-CG2 4.35Å |
| 1908 | P | 92 | Very high | 90.9 | Very high | 35 Ų | 35 | 29 Ų | 29 | 23% | 0.227 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -34.3 | -176.1 | -22.9 | 36.2 | 0 | 0 | 0 | 113.6 | C1359 L1367 L1866 G1906 C1911 I1912 | C1359-P1908 HydrophobicContact CB-CB 4.26Å; C1359-P1908 WeakPolarHBondContact O-CB 3.39Å; C1359-P1908 WeakPolarHBondContact O-CG 3.36Å; L1367-P1908 HydrophobicContact CD2-CB 4.38Å; L1866-P1908 HydrophobicContact CD1-CB 4.13Å; L1866-P1908 HydrophobicContact CD2-CB 3.99Å; G1906-P1908 VanDerWaalsContact C-CD 3.45Å; G1906-P1908 VanDerWaalsContact C-N 3.34Å; G1906-P1908 VanDerWaalsContact O-N 3.11Å; P1908-C1911 PolarHBondContact O-N 3.45Å; P1908-I1912 WeakPolarHBondContact O-CB 3.26Å; P1908-I1912 VanDerWaalsContact O-CD1 3.28Å; P1908-I1912 WeakPolarHBondContact O-CD1 3.46Å; P1908-I1912 VanDerWaalsContact O-CG1 3.23Å; P1908-I1912 WeakPolarHBondContact O-CG1 3.36Å; P1908-I1912 PolarHBondContact O-N 3.2Å; P1908-I1912 VanDerWaalsContact O-N 3.08Å |
| 1909 | A | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -37.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1869 V1902 I1905 G1906 I1907 C1911 I1912 L1913 | F1869-A1909 HydrophobicContact CD1-CB 4.04Å; F1869-A1909 HydrophobicContact CE1-CB 3.71Å; F1869-A1909 HydrophobicContact CE2-CB 4.47Å; F1869-A1909 HydrophobicContact CG-CB 4.48Å; F1869-A1909 HydrophobicContact CZ-CB 3.97Å; V1902-A1909 HydrophobicContact CB-CB 4.32Å; V1902-A1909 HydrophobicContact CG1-CB 4.25Å; V1902-A1909 HydrophobicContact CG2-CB 4.06Å; I1905-A1909 HydrophobicContact CB-CB 3.66Å; I1905-A1909 HydrophobicContact CD1-CB 4.14Å; I1905-A1909 HydrophobicContact CG1-CB 4.46Å; I1905-A1909 HydrophobicContact CG2-CB 3.56Å; G1906-A1909 PolarHBondContact O-N 3.15Å; I1907-A1909 VanDerWaalsContact C-N 3.33Å; I1907-A1909 PolarHBondContact O-N 3.31Å; A1909-C1911 VanDerWaalsContact C-N 3.34Å; A1909-C1911 PolarHBondContact O-N 3.38Å; A1909-I1912 PolarHBondContact O-N 3.15Å; A1909-L1913 WeakPolarHBondContact O-CB 3.43Å; A1909-L1913 PolarHBondContact O-N 3.29Å |
| 1910 | A | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1902 G1906 I1907 I1912 L1913 Y1914 L1933 L1941 V1944 L1948 | V1902-A1910 HydrophobicContact CG1-CB 3.89Å; G1906-A1910 PolarHBondContact O-N 3.13Å; G1906-A1910 VanDerWaalsContact O-N 3.1Å; I1907-A1910 WeakPolarHBondContact O-CB 3.29Å; I1907-A1910 PolarHBondContact O-N 3Å; I1907-A1910 VanDerWaalsContact O-N 3.1Å; A1910-I1912 PolarHBondContact O-N 2.81Å; A1910-L1913 WeakPolarHBondContact O-CB 3.46Å; A1910-L1913 PolarHBondContact O-N 3.17Å; A1910-Y1914 WeakPolarHBondContact O-CB 3.21Å; A1910-Y1914 PolarHBondContact O-N 3.37Å; A1910-L1933 HydrophobicContact CB-CD1 4.34Å; A1910-L1941 HydrophobicContact CB-CD1 3.85Å; A1910-V1944 HydrophobicContact CB-CB 4.42Å; A1910-V1944 HydrophobicContact CB-CG1 3.64Å; A1910-L1948 HydrophobicContact CB-CD1 4.16Å |
| 1911 | C | 93.3 | Very high | 90.4 | Very high | 15.8 Ų | 15.8 | 27.9 Ų | 27.9 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 173.5 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | L1367 M1368 I1907 P1908 A1909 L1913 Y1914 H1915 | L1367-C1911 HydrophobicContact CB-CB 4.47Å; L1367-C1911 HydrophobicContact CD2-CB 3.66Å; L1367-C1911 HydrophobicContact CG-CB 3.72Å; M1368-C1911 HydrophobicContact SD-CB 4.06Å; M1368-C1911 VanDerWaalsContact SD-SG 3.69Å; I1907-C1911 WeakPolarHBondContact O-CB 3.27Å; I1907-C1911 PolarHBondContact O-N 3.19Å; I1907-C1911 PolarHBondContact O-SG 3.08Å; I1907-C1911 VanDerWaalsContact O-SG 3.33Å; P1908-C1911 PolarHBondContact O-N 3.45Å; A1909-C1911 VanDerWaalsContact C-N 3.34Å; A1909-C1911 PolarHBondContact O-N 3.38Å; C1911-L1913 VanDerWaalsContact C-N 3.31Å; C1911-L1913 PolarHBondContact O-N 2.88Å; C1911-Y1914 WeakPolarHBondContact O-CB 3.47Å; C1911-Y1914 PolarHBondContact O-N 3.19Å; C1911-H1915 PolarHBondContact O-CD2 3.44Å; C1911-H1915 PolarHBondContact O-N 3.09Å; C1911-H1915 VanDerWaalsContact O-N 3.15Å; C1911-H1915 PolarHBondContact O-ND1 3.32Å |
| 1912 | I | 92.9 | Very high | 90.3 | Very high | 13.6 Ų | 13.6 | 28.5 Ų | 28.5 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 173.3 | -72.1 | 159.1 | 0 | 0 | 0 | 110.7 | L1866 F1869 Q1870 L1873 P1908 A1909 A1910 H1915 S1916 | L1866-I1912 HydrophobicContact CD2-CD1 3.9Å; F1869-I1912 HydrophobicContact CD1-CD1 4.38Å; F1869-I1912 HydrophobicContact CD1-CG2 4.17Å; F1869-I1912 HydrophobicContact CE1-CB 4.17Å; F1869-I1912 HydrophobicContact CE1-CG2 3.88Å; Q1870-I1912 HydrophobicContact CG-CD1 3.95Å; Q1870-I1912 HydrophobicContact CG-CG2 4.24Å; Q1870-I1912 VanDerWaalsContact NE2-CD1 3.3Å; L1873-I1912 HydrophobicContact CD1-CG2 3.81Å; L1873-I1912 HydrophobicContact CD2-CG2 3.93Å; P1908-I1912 WeakPolarHBondContact O-CB 3.26Å; P1908-I1912 VanDerWaalsContact O-CD1 3.28Å; P1908-I1912 WeakPolarHBondContact O-CD1 3.46Å; P1908-I1912 VanDerWaalsContact O-CG1 3.23Å; P1908-I1912 WeakPolarHBondContact O-CG1 3.36Å; P1908-I1912 PolarHBondContact O-N 3.2Å; P1908-I1912 VanDerWaalsContact O-N 3.08Å; A1909-I1912 PolarHBondContact O-N 3.15Å; A1910-I1912 PolarHBondContact O-N 2.81Å; I1912-H1915 PolarHBondContact O-N 3.33Å; I1912-S1916 VanDerWaalsContact O-CB 3.28Å; I1912-S1916 WeakPolarHBondContact O-CB 3.36Å; I1912-S1916 PolarHBondContact O-N 3.17Å; I1912-S1916 VanDerWaalsContact O-N 3.1Å; I1912-S1916 PolarHBondContact O-OG 3.22Å |
| 1913 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 174.2 | -88.8 | 174.2 | 0 | 0 | 0 | 111.7 | F1869 L1873 I1898 V1902 A1909 A1910 C1911 H1915 S1916 W1917 L1921 L1926 I1929 L1948 | F1869-L1913 HydrophobicContact CE1-CG 4.46Å; F1869-L1913 HydrophobicContact CZ-CD2 4.03Å; F1869-L1913 HydrophobicContact CZ-CG 4.03Å; L1873-L1913 HydrophobicContact CD1-CD1 4.46Å; L1873-L1913 HydrophobicContact CD1-CD2 4.03Å; L1873-L1913 HydrophobicContact CD2-CD1 4.21Å; L1873-L1913 HydrophobicContact CD2-CD2 3.94Å; I1898-L1913 HydrophobicContact CG2-CD1 4.08Å; I1898-L1913 HydrophobicContact CG2-CD2 4.15Å; V1902-L1913 HydrophobicContact CG1-CD1 4.48Å; V1902-L1913 HydrophobicContact CG2-CD1 3.56Å; V1902-L1913 HydrophobicContact CG2-CD2 4.34Å; V1902-L1913 HydrophobicContact CG2-CG 4.18Å; A1909-L1913 WeakPolarHBondContact O-CB 3.43Å; A1909-L1913 PolarHBondContact O-N 3.29Å; A1910-L1913 WeakPolarHBondContact O-CB 3.46Å; A1910-L1913 PolarHBondContact O-N 3.17Å; C1911-L1913 VanDerWaalsContact C-N 3.31Å; C1911-L1913 PolarHBondContact O-N 2.88Å; L1913-H1915 VanDerWaalsContact C-N 3.28Å; L1913-H1915 PolarHBondContact O-N 2.95Å; L1913-H1915 VanDerWaalsContact O-N 3.16Å; L1913-S1916 CarbonylContact O-C 3.55Å; L1913-S1916 PolarHBondContact O-N 3.24Å; L1913-S1916 VanDerWaalsContact O-N 3.11Å; L1913-W1917 HydrophobicContact CD1-CB 4.37Å; L1913-W1917 HydrophobicContact CG-CB 4.4Å; L1913-W1917 VanDerWaalsContact O-CB 3.29Å; L1913-W1917 WeakPolarHBondContact O-CB 3.43Å; L1913-W1917 PolarHBondContact O-N 3.11Å; L1913-L1921 HydrophobicContact CD1-CD1 4.2Å; L1913-L1921 HydrophobicContact CD1-CG 4.44Å; L1913-L1921 HydrophobicContact CD2-CD1 4.01Å; L1913-L1921 HydrophobicContact CG-CD1 4.38Å; L1913-L1926 HydrophobicContact CD2-CD1 3.97Å; L1913-L1926 HydrophobicContact CG-CD1 4Å; L1913-I1929 HydrophobicContact CD1-CD1 4.42Å; L1913-I1929 HydrophobicContact CD1-CG2 4.29Å; L1913-I1929 HydrophobicContact CD2-CD1 4.23Å; L1913-I1929 HydrophobicContact CD2-CG2 4.07Å; L1913-L1948 HydrophobicContact CB-CD2 4.19Å; L1913-L1948 HydrophobicContact CD2-CD2 4.33Å; L1913-L1948 HydrophobicContact CG-CD2 4.31Å |
| 1914 | Y | 92.8 | Very high | 90.2 | Very high | 63.8 Ų | 63.8 | 25.7 Ų | 25.7 | 25% | 0.25 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -54 | -43.3 | 179.2 | 175.4 | -102.2 | 0 | 0 | 0 | 112.5 | M1368 A1910 C1911 W1917 E1947 L1948 A1951 W2155 | M1368-Y1914 HydrophobicContact CE-CD1 3.56Å; M1368-Y1914 HydrophobicContact CE-CD2 3.43Å; M1368-Y1914 VanDerWaalsContact CE-CD2 3.46Å; M1368-Y1914 HydrophobicContact CE-CE1 3.8Å; M1368-Y1914 HydrophobicContact CE-CE2 3.67Å; M1368-Y1914 HydrophobicContact CE-CG 3.35Å; M1368-Y1914 HydrophobicContact SD-CD1 3.63Å; M1368-Y1914 HydrophobicContact SD-CD2 4.3Å; M1368-Y1914 HydrophobicContact SD-CE1 4.3Å; M1368-Y1914 HydrophobicContact SD-CG 3.61Å; M1368-Y1914 VanDerWaalsContact SD-CG 3.59Å; A1910-Y1914 WeakPolarHBondContact O-CB 3.21Å; A1910-Y1914 PolarHBondContact O-N 3.37Å; C1911-Y1914 WeakPolarHBondContact O-CB 3.47Å; C1911-Y1914 PolarHBondContact O-N 3.19Å; Y1914-W1917 VanDerWaalsContact O-CD1 3.29Å; Y1914-E1947 HydrophobicContact CD2-CB 4.22Å; Y1914-E1947 HydrophobicContact CE2-CB 3.94Å; Y1914-E1947 WeakPolarHBondContact CE2-O 3.35Å; Y1914-E1947 PolarHBondContact OH-OE2 2.92Å; Y1914-L1948 HydrophobicContact CD2-CD2 4.45Å; Y1914-A1951 HydrophobicContact CD2-CB 4.36Å; Y1914-A1951 HydrophobicContact CE2-CB 4.34Å; Y1914-W2155 AromaticContact CE1-CD1 3.82Å; Y1914-W2155 AromaticContact CE1-NE1 3.2Å; Y1914-W2155 AromaticContact CZ-NE1 3.4Å; Y1914-W2155 PolarHBondContact OH-NE1 3.19Å |
| 1915 | H | 90.4 | Very high | 90.3 | Very high | 72.4 Ų | 72.4 | 24.7 Ų | 24.7 | 34% | 0.335 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -77.7 | -19.3 | 178.2 | -67.8 | 53.1 | 0 | 0 | 0 | 114.7 | K1352 P1354 L1367 M1368 F1370 C1911 I1912 L1913 | K1352-H1915 WeakPolarHBondContact CB-O 3.46Å; P1354-H1915 VanDerWaalsContact CG-CD2 3.49Å; P1354-H1915 WeakPolarHBondContact CG-CD2 3.33Å; L1367-H1915 PolarHBondContact O-NE2 2.98Å; M1368-H1915 PolarHBondContact O-CE1 3.39Å; M1368-H1915 PolarHBondContact O-NE2 3.02Å; F1370-H1915 PolarHBondContact O-CE1 3.43Å; C1911-H1915 PolarHBondContact O-CD2 3.44Å; C1911-H1915 PolarHBondContact O-N 3.09Å; C1911-H1915 VanDerWaalsContact O-N 3.15Å; C1911-H1915 PolarHBondContact O-ND1 3.32Å; I1912-H1915 PolarHBondContact O-N 3.33Å; L1913-H1915 VanDerWaalsContact C-N 3.28Å; L1913-H1915 PolarHBondContact O-N 2.95Å; L1913-H1915 VanDerWaalsContact O-N 3.16Å |
| 1916 | S | 89.5 | Confident | 90.4 | Very high | 14.6 Ų | 14.6 | 24.4 Ų | 24.4 | 10% | 0.102 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -132.7 | 3.5 | -166.3 | -4.7 | 0 | 0 | 0 | 0 | 115.9 | K1352 S1353 I1912 L1913 Q1918 Q1919 H1920 | K1352-S1916 PolarHBondContact N-OG 2.63Å; S1353-S1916 WeakPolarHBondContact CA-OG 3.46Å; S1353-S1916 PolarHBondContact N-OG 3.27Å; S1353-S1916 VanDerWaalsContact N-OG 3.1Å; I1912-S1916 VanDerWaalsContact O-CB 3.28Å; I1912-S1916 WeakPolarHBondContact O-CB 3.36Å; I1912-S1916 PolarHBondContact O-N 3.17Å; I1912-S1916 VanDerWaalsContact O-N 3.1Å; I1912-S1916 PolarHBondContact O-OG 3.22Å; L1913-S1916 CarbonylContact O-C 3.55Å; L1913-S1916 PolarHBondContact O-N 3.24Å; L1913-S1916 VanDerWaalsContact O-N 3.11Å; S1916-Q1918 VanDerWaalsContact C-N 3.31Å; S1916-Q1918 PolarHBondContact O-N 3.29Å; S1916-Q1918 VanDerWaalsContact O-N 3.11Å; S1916-Q1919 PolarHBondContact O-N 2.87Å; S1916-H1920 WeakPolarHBondContact O-CB 3.44Å; S1916-H1920 PolarHBondContact O-CE1 3.31Å; S1916-H1920 VanDerWaalsContact O-CG 3.22Å; S1916-H1920 PolarHBondContact O-ND1 3.12Å; S1916-H1920 PolarHBondContact OG-ND1 2.96Å |
| 1917 | W | 90.5 | Very high | 90.4 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 5% | 0.045 | 12% | 0.123 | C | C | . | . | trans | -64.7 | -29.8 | -176.9 | 70.4 | -89.5 | 0 | 0 | 0 | 113.5 | L1913 Y1914 Q1919 H1920 L1921 A1923 L1926 A1951 L1955 | L1913-W1917 HydrophobicContact CD1-CB 4.37Å; L1913-W1917 HydrophobicContact CG-CB 4.4Å; L1913-W1917 VanDerWaalsContact O-CB 3.29Å; L1913-W1917 WeakPolarHBondContact O-CB 3.43Å; L1913-W1917 PolarHBondContact O-N 3.11Å; Y1914-W1917 VanDerWaalsContact O-CD1 3.29Å; W1917-Q1919 PolarHBondContact O-N 3.24Å; W1917-H1920 CarbonylContact O-C 3.51Å; W1917-H1920 WeakPolarHBondContact O-CA 3.31Å; W1917-H1920 WeakPolarHBondContact O-CB 3.39Å; W1917-H1920 PolarHBondContact O-N 3.17Å; W1917-L1921 HydrophobicContact CB-CB 4.44Å; W1917-L1921 HydrophobicContact CB-CD1 4.45Å; W1917-L1921 PolarHBondContact O-N 3.31Å; W1917-A1923 HydrophobicContact CH2-CB 4.32Å; W1917-A1923 HydrophobicContact CZ3-CB 4.26Å; W1917-L1926 HydrophobicContact CB-CD1 3.82Å; W1917-L1926 HydrophobicContact CB-CD2 4.3Å; W1917-L1926 HydrophobicContact CD2-CD1 4.33Å; W1917-L1926 HydrophobicContact CD2-CD2 3.51Å; W1917-L1926 VanDerWaalsContact CD2-CD2 3.49Å; W1917-L1926 HydrophobicContact CD2-CG 4.41Å; W1917-L1926 HydrophobicContact CE3-CB 4.37Å; W1917-L1926 HydrophobicContact CE3-CD2 3.95Å; W1917-L1926 HydrophobicContact CG-CD1 4.07Å; W1917-L1926 HydrophobicContact CG-CD2 3.67Å; W1917-L1926 HydrophobicContact CG-CG 4.36Å; W1917-L1926 HydrophobicContact CH2-CD2 4.32Å; W1917-L1926 HydrophobicContact CZ2-CD2 4.2Å; W1917-L1926 HydrophobicContact CZ3-CD2 4.4Å; W1917-A1951 HydrophobicContact CZ2-CB 4.27Å; W1917-A1951 VanDerWaalsContact CZ2-O 3.31Å; W1917-A1951 WeakPolarHBondContact CZ2-O 3.31Å; W1917-L1955 HydrophobicContact CH2-CD1 3.99Å; W1917-L1955 HydrophobicContact CH2-CD2 4.19Å; W1917-L1955 HydrophobicContact CZ2-CD1 4.39Å; W1917-L1955 HydrophobicContact CZ3-CD1 4.39Å | ||
| 1918 | Q | 86.9 | Confident | 90.3 | Very high | 90.6 Ų | 90.6 | 24.1 Ų | 24.1 | 42% | 0.423 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 123.7 | -179.7 | -66.3 | -174.9 | -13.9 | 0 | 0 | 111.2 | W1886 S1916 H1920 | W1886-Q1918 WeakPolarHBondContact CH2-O 3.41Å; S1916-Q1918 VanDerWaalsContact C-N 3.31Å; S1916-Q1918 PolarHBondContact O-N 3.29Å; S1916-Q1918 VanDerWaalsContact O-N 3.11Å; Q1918-H1920 PolarHBondContact O-N 3.1Å; Q1918-H1920 PolarHBondContact O-ND1 3.24Å |
| 1919 | Q | 83.9 | Confident | 90.2 | Very high | 65.2 Ų | 65.2 | 22.7 Ų | 22.7 | 31% | 0.305 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 0.4 | -173 | -50.6 | -65.6 | -23.8 | 0 | 0 | 115.4 | Y1350 N1880 W1886 S1916 W1917 | Y1350-Q1919 HydrophobicContact CD1-CG 3.81Å; Y1350-Q1919 HydrophobicContact CD2-CB 4.2Å; Y1350-Q1919 HydrophobicContact CD2-CG 3.71Å; Y1350-Q1919 HydrophobicContact CE1-CG 4.15Å; Y1350-Q1919 HydrophobicContact CE2-CG 4.04Å; Y1350-Q1919 HydrophobicContact CG-CB 4.13Å; Y1350-Q1919 HydrophobicContact CG-CG 3.58Å; N1880-Q1919 WeakPolarHBondContact CB-O 3.2Å; N1880-Q1919 PolarHBondContact ND2-O 3.29Å; W1886-Q1919 HydrophobicContact CZ2-CB 4.41Å; S1916-Q1919 PolarHBondContact O-N 2.87Å; W1917-Q1919 PolarHBondContact O-N 3.24Å |
| 1920 | H | 88.6 | Confident | 90.2 | Very high | 10.8 Ų | 10.8 | 22.7 Ų | 22.7 | 5% | 0.05 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -46.6 | -176.9 | -61.8 | 104.4 | 0 | 0 | 0 | 112.5 | N1348 F1351 L1873 L1876 G1877 N1880 R1889 S1916 W1917 Q1918 | N1348-H1920 PolarHBondContact ND2-CE1 2.83Å; N1348-H1920 PolarHBondContact ND2-NE2 3.27Å; F1351-H1920 AromaticContact CD2-NE2 3.77Å; L1873-H1920 HydrophobicContact CD1-CB 3.94Å; L1873-H1920 HydrophobicContact CD2-CB 4.19Å; L1873-H1920 PolarHBondContact O-CD2 2.97Å; L1873-H1920 PolarHBondContact O-NE2 3.21Å; L1876-H1920 HydrophobicContact CD2-CB 4.32Å; L1876-H1920 VanDerWaalsContact CD2-O 3.29Å; L1876-H1920 WeakPolarHBondContact CD2-O 3.43Å; L1876-H1920 WeakPolarHBondContact CG-O 3.46Å; G1877-H1920 WeakPolarHBondContact CA-CD2 3.37Å; G1877-H1920 WeakPolarHBondContact CA-NE2 3.25Å; G1877-H1920 PolarHBondContact N-CD2 3.34Å; G1877-H1920 VanDerWaalsContact N-CD2 3.29Å; N1880-H1920 VanDerWaalsContact ND2-C 3.31Å; N1880-H1920 VanDerWaalsContact ND2-CA 3.29Å; N1880-H1920 WeakPolarHBondContact ND2-CA 3.42Å; N1880-H1920 PolarHBondContact ND2-O 3.25Å; R1889-H1920 PolarHBondContact NH2-O 3.32Å; S1916-H1920 WeakPolarHBondContact O-CB 3.44Å; S1916-H1920 PolarHBondContact O-CE1 3.31Å; S1916-H1920 VanDerWaalsContact O-CG 3.22Å; S1916-H1920 PolarHBondContact O-ND1 3.12Å; S1916-H1920 PolarHBondContact OG-ND1 2.96Å; W1917-H1920 CarbonylContact O-C 3.51Å; W1917-H1920 WeakPolarHBondContact O-CA 3.31Å; W1917-H1920 WeakPolarHBondContact O-CB 3.39Å; W1917-H1920 PolarHBondContact O-N 3.17Å; Q1918-H1920 PolarHBondContact O-N 3.1Å; Q1918-H1920 PolarHBondContact O-ND1 3.24Å |
| 1921 | L | 89.2 | Confident | 90 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -118.8 | 149.9 | 179.4 | -63.8 | 178.2 | 0 | 0 | 0 | 110.9 | L1876 W1886 I1898 L1913 W1917 E1925 L1926 I1929 | L1876-L1921 HydrophobicContact CD2-CD2 4.29Å; W1886-L1921 WeakPolarHBondContact CZ3-O 3.41Å; I1898-L1921 HydrophobicContact CD1-CD2 3.96Å; I1898-L1921 HydrophobicContact CG2-CD1 4.48Å; L1913-L1921 HydrophobicContact CD1-CD1 4.2Å; L1913-L1921 HydrophobicContact CD1-CG 4.44Å; L1913-L1921 HydrophobicContact CD2-CD1 4.01Å; L1913-L1921 HydrophobicContact CG-CD1 4.38Å; W1917-L1921 HydrophobicContact CB-CB 4.44Å; W1917-L1921 HydrophobicContact CB-CD1 4.45Å; W1917-L1921 PolarHBondContact O-N 3.31Å; L1921-E1925 VanDerWaalsContact CA-OE2 3.31Å; L1921-E1925 WeakPolarHBondContact CA-OE2 3.44Å; L1921-E1925 HydrophobicContact CB-CB 4.37Å; L1921-E1925 HydrophobicContact CD2-CB 4.37Å; L1921-L1926 HydrophobicContact CD1-CD1 4.1Å; L1921-I1929 HydrophobicContact CD1-CD1 3.85Å |
| 1922 | T | 87.9 | Confident | 89.9 | Confident | 11.8 Ų | 11.8 | 27.9 Ų | 27.9 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | trans | -73.8 | 159.5 | 165.4 | 65.8 | 0 | 0 | 0 | 0 | 110 | W1886 Q1887 R1889 A1924 E1925 L1926 | W1886-T1922 HydrophobicContact CE3-CG2 4.24Å; W1886-T1922 HydrophobicContact CZ3-CG2 4.1Å; Q1887-T1922 VanDerWaalsContact O-CG2 3.31Å; Q1887-T1922 WeakPolarHBondContact O-CG2 3.38Å; R1889-T1922 HydrophobicContact CG-CG2 3.87Å; T1922-A1924 VanDerWaalsContact C-N 3.27Å; T1922-A1924 PolarHBondContact O-N 2.92Å; T1922-E1925 WeakPolarHBondContact CB-OE2 3.33Å; T1922-E1925 WeakPolarHBondContact CG2-OE2 3.45Å; T1922-E1925 PolarHBondContact N-OE2 3.18Å; T1922-E1925 PolarHBondContact O-N 3.13Å; T1922-E1925 WeakPolarHBondContact OG1-CB 3.37Å; T1922-E1925 VanDerWaalsContact OG1-CG 3.31Å; T1922-E1925 WeakPolarHBondContact OG1-CG 3.41Å; T1922-E1925 PolarHBondContact OG1-N 3.2Å; T1922-E1925 PolarHBondContact OG1-OE2 3.24Å; T1922-L1926 PolarHBondContact O-N 3.19Å; T1922-L1926 VanDerWaalsContact O-N 3.08Å | ||
| 1923 | A | 88.4 | Confident | 89.8 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W1917 E1925 L1926 T1927 S1952 L1955 A1958 L1959 | W1917-A1923 HydrophobicContact CH2-CB 4.32Å; W1917-A1923 HydrophobicContact CZ3-CB 4.26Å; A1923-E1925 PolarHBondContact O-N 3.17Å; A1923-L1926 WeakPolarHBondContact O-CB 3.37Å; A1923-L1926 PolarHBondContact O-N 3.19Å; A1923-L1926 VanDerWaalsContact O-N 3.15Å; A1923-T1927 WeakPolarHBondContact O-CB 3.23Å; A1923-T1927 PolarHBondContact O-N 3.24Å; A1923-T1927 PolarHBondContact O-OG1 3.13Å; A1923-T1927 VanDerWaalsContact O-OG1 3.11Å; A1923-S1952 WeakPolarHBondContact O-CB 3.49Å; A1923-L1955 HydrophobicContact CB-CB 4.34Å; A1923-A1958 HydrophobicContact CB-CB 4.39Å; A1923-L1959 VanDerWaalsContact C-CD2 3.44Å; A1923-L1959 HydrophobicContact CB-CD2 3.66Å; A1923-L1959 HydrophobicContact CB-CG 4.15Å |
| 1924 | A | 88 | Confident | 89.6 | Confident | 19.6 Ų | 19.6 | 28.7 Ų | 28.7 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1922 L1926 T1927 A1928 L1959 E1963 | T1922-A1924 VanDerWaalsContact C-N 3.27Å; T1922-A1924 PolarHBondContact O-N 2.92Å; A1924-L1926 VanDerWaalsContact C-N 3.35Å; A1924-T1927 PolarHBondContact O-N 3.27Å; A1924-A1928 VanDerWaalsContact O-CB 3.3Å; A1924-A1928 WeakPolarHBondContact O-CB 3.39Å; A1924-A1928 PolarHBondContact O-N 3.14Å; A1924-L1959 HydrophobicContact CB-CD2 4.27Å; A1924-E1963 WeakPolarHBondContact CB-OE2 3.47Å |
| 1925 | E | 90 | Very high | 89.3 | Confident | 24.4 Ų | 24.4 | 34.2 Ų | 34.2 | 11% | 0.114 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 174.2 | -71.9 | 163.3 | 159.1 | 0 | 0 | 111.9 | R1889 S1892 L1921 T1922 A1923 A1928 I1929 | R1889-E1925 IonicContact CZ-OE1 3.24Å; R1889-E1925 IonicContact CZ-OE2 3.27Å; R1889-E1925 IonicContact NE-OE1 3.36Å; R1889-E1925 PolarHBondContact NE-OE1 3.35Å; R1889-E1925 IonicContact NE-OE2 3.28Å; R1889-E1925 PolarHBondContact NE-OE2 2.89Å; R1889-E1925 VanDerWaalsContact NE-OE2 3.17Å; R1889-E1925 IonicContact NH2-OE1 3.45Å; R1889-E1925 PolarHBondContact NH2-OE1 3.37Å; R1889-E1925 IonicContact NH2-OE2 3.15Å; R1889-E1925 PolarHBondContact NH2-OE2 3.12Å; S1892-E1925 WeakPolarHBondContact CB-OE1 3.34Å; S1892-E1925 PolarHBondContact N-OE1 2.88Å; L1921-E1925 VanDerWaalsContact CA-OE2 3.31Å; L1921-E1925 WeakPolarHBondContact CA-OE2 3.44Å; L1921-E1925 HydrophobicContact CB-CB 4.37Å; L1921-E1925 HydrophobicContact CD2-CB 4.37Å; T1922-E1925 WeakPolarHBondContact CB-OE2 3.33Å; T1922-E1925 WeakPolarHBondContact CG2-OE2 3.45Å; T1922-E1925 PolarHBondContact N-OE2 3.18Å; T1922-E1925 PolarHBondContact O-N 3.13Å; T1922-E1925 WeakPolarHBondContact OG1-CB 3.37Å; T1922-E1925 VanDerWaalsContact OG1-CG 3.31Å; T1922-E1925 WeakPolarHBondContact OG1-CG 3.41Å; T1922-E1925 PolarHBondContact OG1-N 3.2Å; T1922-E1925 PolarHBondContact OG1-OE2 3.24Å; A1923-E1925 PolarHBondContact O-N 3.17Å; E1925-A1928 PolarHBondContact O-N 3.14Å; E1925-I1929 WeakPolarHBondContact O-CG1 3.45Å; E1925-I1929 PolarHBondContact O-N 3.04Å |
| 1926 | L | 90.9 | Very high | 89.1 | Confident | 0.6 Ų | 0.6 | 31.9 Ų | 31.9 | 0% | 0.003 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 175.7 | -168.4 | 70.5 | 0 | 0 | 0 | 111.4 | L1913 W1917 L1921 T1922 A1923 A1924 A1928 I1929 A1930 L1948 A1951 | L1913-L1926 HydrophobicContact CD2-CD1 3.97Å; L1913-L1926 HydrophobicContact CG-CD1 4Å; W1917-L1926 HydrophobicContact CB-CD1 3.82Å; W1917-L1926 HydrophobicContact CB-CD2 4.3Å; W1917-L1926 HydrophobicContact CD2-CD1 4.33Å; W1917-L1926 HydrophobicContact CD2-CD2 3.51Å; W1917-L1926 VanDerWaalsContact CD2-CD2 3.49Å; W1917-L1926 HydrophobicContact CD2-CG 4.41Å; W1917-L1926 HydrophobicContact CE3-CB 4.37Å; W1917-L1926 HydrophobicContact CE3-CD2 3.95Å; W1917-L1926 HydrophobicContact CG-CD1 4.07Å; W1917-L1926 HydrophobicContact CG-CD2 3.67Å; W1917-L1926 HydrophobicContact CG-CG 4.36Å; W1917-L1926 HydrophobicContact CH2-CD2 4.32Å; W1917-L1926 HydrophobicContact CZ2-CD2 4.2Å; W1917-L1926 HydrophobicContact CZ3-CD2 4.4Å; L1921-L1926 HydrophobicContact CD1-CD1 4.1Å; T1922-L1926 PolarHBondContact O-N 3.19Å; T1922-L1926 VanDerWaalsContact O-N 3.08Å; A1923-L1926 WeakPolarHBondContact O-CB 3.37Å; A1923-L1926 PolarHBondContact O-N 3.19Å; A1923-L1926 VanDerWaalsContact O-N 3.15Å; A1924-L1926 VanDerWaalsContact C-N 3.35Å; L1926-A1928 VanDerWaalsContact C-N 3.29Å; L1926-A1928 PolarHBondContact O-N 3.27Å; L1926-I1929 PolarHBondContact O-N 3.31Å; L1926-A1930 WeakPolarHBondContact O-CB 3.32Å; L1926-A1930 PolarHBondContact O-N 3.13Å; L1926-L1948 HydrophobicContact CD1-CD2 3.94Å; L1926-L1948 WeakPolarHBondContact CD2-O 3.37Å; L1926-L1948 HydrophobicContact CG-CD2 4.39Å; L1926-A1951 HydrophobicContact CD2-CB 4.21Å |
| 1927 | T | 90.4 | Very high | 88.8 | Confident | 5.2 Ų | 5.2 | 39.6 Ų | 39.6 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 174.2 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | A1923 A1924 I1929 A1930 F1931 S1952 A1967 | A1923-T1927 WeakPolarHBondContact O-CB 3.23Å; A1923-T1927 PolarHBondContact O-N 3.24Å; A1923-T1927 PolarHBondContact O-OG1 3.13Å; A1923-T1927 VanDerWaalsContact O-OG1 3.11Å; A1924-T1927 PolarHBondContact O-N 3.27Å; T1927-I1929 VanDerWaalsContact C-N 3.34Å; T1927-I1929 PolarHBondContact O-N 3.11Å; T1927-A1930 PolarHBondContact O-N 3.24Å; T1927-F1931 VanDerWaalsContact O-CB 3.3Å; T1927-F1931 WeakPolarHBondContact O-CB 3.36Å; T1927-F1931 PolarHBondContact O-N 3.16Å; T1927-S1952 VanDerWaalsContact OG1-CB 3.25Å; T1927-S1952 WeakPolarHBondContact OG1-CB 3.37Å; T1927-S1952 PolarHBondContact OG1-OG 3.09Å; T1927-A1967 HydrophobicContact CG2-CB 3.95Å |
| 1928 | A | 89.9 | Confident | 88.7 | Confident | 45.4 Ų | 45.4 | 42.7 Ų | 42.7 | 38% | 0.375 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.3 | -34.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | A1924 E1925 L1926 Q1932 | A1924-A1928 VanDerWaalsContact O-CB 3.3Å; A1924-A1928 WeakPolarHBondContact O-CB 3.39Å; A1924-A1928 PolarHBondContact O-N 3.14Å; E1925-A1928 PolarHBondContact O-N 3.14Å; L1926-A1928 VanDerWaalsContact C-N 3.29Å; L1926-A1928 PolarHBondContact O-N 3.27Å; A1928-Q1932 VanDerWaalsContact O-CG 3.31Å; A1928-Q1932 WeakPolarHBondContact O-CG 3.35Å; A1928-Q1932 PolarHBondContact O-N 3.25Å; A1928-Q1932 PolarHBondContact O-NE2 2.89Å |
| 1929 | I | 91.3 | Very high | 88.8 | Confident | 4.8 Ų | 4.8 | 46.1 Ų | 46.1 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.1 | -47.4 | 173.5 | -68.1 | 164.9 | 0 | 0 | 0 | 110.3 | I1898 L1913 L1921 E1925 L1926 T1927 F1931 Q1932 L1933 | I1898-I1929 HydrophobicContact CG2-CD1 3.94Å; L1913-I1929 HydrophobicContact CD1-CD1 4.42Å; L1913-I1929 HydrophobicContact CD1-CG2 4.29Å; L1913-I1929 HydrophobicContact CD2-CD1 4.23Å; L1913-I1929 HydrophobicContact CD2-CG2 4.07Å; L1921-I1929 HydrophobicContact CD1-CD1 3.85Å; E1925-I1929 WeakPolarHBondContact O-CG1 3.45Å; E1925-I1929 PolarHBondContact O-N 3.04Å; L1926-I1929 PolarHBondContact O-N 3.31Å; T1927-I1929 VanDerWaalsContact C-N 3.34Å; T1927-I1929 PolarHBondContact O-N 3.11Å; I1929-F1931 VanDerWaalsContact C-N 3.26Å; I1929-F1931 PolarHBondContact O-N 3.37Å; I1929-Q1932 WeakPolarHBondContact O-CB 3.34Å; I1929-Q1932 PolarHBondContact O-N 3.2Å; I1929-L1933 HydrophobicContact CG2-CD1 3.8Å; I1929-L1933 HydrophobicContact CG2-CG 4.2Å; I1929-L1933 WeakPolarHBondContact O-CG 3.42Å; I1929-L1933 PolarHBondContact O-N 3.03Å |
| 1930 | A | 92.4 | Very high | 89 | Confident | 0.4 Ų | 0.4 | 44.6 Ų | 44.6 | 0% | 0.003 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1926 T1927 Q1932 L1933 S1934 L1948 C1949 Q1970 | L1926-A1930 WeakPolarHBondContact O-CB 3.32Å; L1926-A1930 PolarHBondContact O-N 3.13Å; T1927-A1930 PolarHBondContact O-N 3.24Å; A1930-Q1932 VanDerWaalsContact C-N 3.3Å; A1930-Q1932 PolarHBondContact O-N 3.18Å; A1930-L1933 PolarHBondContact O-N 3.28Å; A1930-S1934 WeakPolarHBondContact O-CB 3.39Å; A1930-S1934 PolarHBondContact O-N 3.16Å; A1930-S1934 PolarHBondContact O-OG 3.24Å; A1930-L1948 HydrophobicContact CB-CB 4.06Å; A1930-C1949 HydrophobicContact CB-CB 4.32Å; A1930-Q1970 PolarHBondContact O-NE2 3.13Å |
| 1931 | F | 90.1 | Very high | 89.1 | Confident | 43.4 Ų | 43.4 | 44.6 Ų | 44.6 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -26.5 | 175.9 | -176.2 | -90.1 | 0 | 0 | 0 | 114.2 | T1927 I1929 S1934 R1935 R1966 Q1970 | T1927-F1931 VanDerWaalsContact O-CB 3.3Å; T1927-F1931 WeakPolarHBondContact O-CB 3.36Å; T1927-F1931 PolarHBondContact O-N 3.16Å; I1929-F1931 VanDerWaalsContact C-N 3.26Å; I1929-F1931 PolarHBondContact O-N 3.37Å; F1931-S1934 WeakPolarHBondContact CA-OG 3.45Å; F1931-S1934 PolarHBondContact O-OG 3.14Å; F1931-S1934 VanDerWaalsContact O-OG 3.12Å; F1931-R1935 VanDerWaalsContact CZ-NH2 3.32Å; F1931-R1966 VanDerWaalsContact CE1-NH2 3.29Å; F1931-R1966 VanDerWaalsContact CE2-NH2 3.3Å; F1931-R1966 VanDerWaalsContact CZ-NH2 3.33Å; F1931-Q1970 VanDerWaalsContact CA-OE1 3.24Å; F1931-Q1970 VanDerWaalsContact CD2-CD 3.43Å; F1931-Q1970 HydrophobicContact CD2-CG 4.12Å |
| 1932 | Q | 90.3 | Very high | 89.2 | Confident | 81.4 Ų | 81.4 | 45.7 Ų | 45.7 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -77.9 | -46.8 | 171.7 | -66.5 | 165.4 | 60.1 | 0 | 0 | 109.8 | S1899 F1903 A1928 I1929 A1930 S1934 R1935 | S1899-Q1932 VanDerWaalsContact OG-CD 3.25Å; S1899-Q1932 PolarHBondContact OG-NE2 3.2Å; S1899-Q1932 PolarHBondContact OG-OE1 3.19Å; F1903-Q1932 HydrophobicContact CE2-CB 3.62Å; F1903-Q1932 VanDerWaalsContact CZ-C 3.48Å; F1903-Q1932 HydrophobicContact CZ-CB 3.66Å; F1903-Q1932 WeakPolarHBondContact CZ-O 3.32Å; A1928-Q1932 VanDerWaalsContact O-CG 3.31Å; A1928-Q1932 WeakPolarHBondContact O-CG 3.35Å; A1928-Q1932 PolarHBondContact O-N 3.25Å; A1928-Q1932 PolarHBondContact O-NE2 2.89Å; I1929-Q1932 WeakPolarHBondContact O-CB 3.34Å; I1929-Q1932 PolarHBondContact O-N 3.2Å; A1930-Q1932 VanDerWaalsContact C-N 3.3Å; A1930-Q1932 PolarHBondContact O-N 3.18Å; Q1932-S1934 VanDerWaalsContact C-N 3.34Å; Q1932-S1934 PolarHBondContact O-N 3Å; Q1932-R1935 WeakPolarHBondContact O-CB 3.3Å; Q1932-R1935 PolarHBondContact O-N 3.04Å; Q1932-R1935 VanDerWaalsContact O-N 3.16Å |
| 1933 | L | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -32.2 | -177.1 | -63.5 | 173.9 | 0 | 0 | 0 | 113.7 | V1902 F1903 A1910 I1929 A1930 R1935 A1936 L1941 A1945 L1948 | V1902-L1933 HydrophobicContact CB-CD2 4.43Å; V1902-L1933 HydrophobicContact CG1-CD1 3.69Å; V1902-L1933 HydrophobicContact CG1-CD2 3.86Å; V1902-L1933 HydrophobicContact CG1-CG 4.39Å; F1903-L1933 HydrophobicContact CD1-CD2 4.13Å; F1903-L1933 HydrophobicContact CD2-CD2 4.29Å; F1903-L1933 HydrophobicContact CE1-CD2 4.01Å; F1903-L1933 HydrophobicContact CE2-CD2 4.16Å; F1903-L1933 HydrophobicContact CG-CD2 4.29Å; F1903-L1933 HydrophobicContact CZ-CD2 4.04Å; A1910-L1933 HydrophobicContact CB-CD1 4.34Å; I1929-L1933 HydrophobicContact CG2-CD1 3.8Å; I1929-L1933 HydrophobicContact CG2-CG 4.2Å; I1929-L1933 WeakPolarHBondContact O-CG 3.42Å; I1929-L1933 PolarHBondContact O-N 3.03Å; A1930-L1933 PolarHBondContact O-N 3.28Å; L1933-R1935 PolarHBondContact O-N 3.07Å; L1933-R1935 VanDerWaalsContact O-N 3.14Å; L1933-A1936 VanDerWaalsContact O-CB 3.28Å; L1933-A1936 WeakPolarHBondContact O-CB 3.23Å; L1933-A1936 PolarHBondContact O-N 3.24Å; L1933-A1936 VanDerWaalsContact O-N 3.09Å; L1933-L1941 HydrophobicContact CD2-CD1 4.42Å; L1933-L1941 HydrophobicContact CD2-CD2 4.25Å; L1933-L1941 HydrophobicContact CD2-CG 4.41Å; L1933-A1945 HydrophobicContact CB-CB 3.74Å; L1933-L1948 HydrophobicContact CD1-CD1 3.94Å |
| 1934 | S | 89.3 | Confident | 89.6 | Confident | 30.4 Ų | 30.4 | 48.1 Ų | 48.1 | 21% | 0.213 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.4 | 175.9 | 62 | 0 | 0 | 0 | 0 | 114.1 | A1930 F1931 Q1932 V1942 Q1970 | A1930-S1934 WeakPolarHBondContact O-CB 3.39Å; A1930-S1934 PolarHBondContact O-N 3.16Å; A1930-S1934 PolarHBondContact O-OG 3.24Å; F1931-S1934 WeakPolarHBondContact CA-OG 3.45Å; F1931-S1934 PolarHBondContact O-OG 3.14Å; F1931-S1934 VanDerWaalsContact O-OG 3.12Å; Q1932-S1934 VanDerWaalsContact C-N 3.34Å; Q1932-S1934 PolarHBondContact O-N 3Å; S1934-V1942 WeakPolarHBondContact O-CG2 3.42Å; S1934-Q1970 PolarHBondContact OG-NE2 3.28Å; S1934-Q1970 PolarHBondContact OG-OE1 3.12Å |
| 1935 | R | 87.1 | Confident | 89.8 | Confident | 179.4 Ų | 179.4 | 47.2 Ų | 47.2 | 68% | 0.677 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3 | 177 | -61.8 | 173.5 | 166.5 | -152.4 | -12.2 | 113.2 | F1931 Q1932 L1933 | F1931-R1935 VanDerWaalsContact CZ-NH2 3.32Å; Q1932-R1935 WeakPolarHBondContact O-CB 3.3Å; Q1932-R1935 PolarHBondContact O-N 3.04Å; Q1932-R1935 VanDerWaalsContact O-N 3.16Å; L1933-R1935 PolarHBondContact O-N 3.07Å; L1933-R1935 VanDerWaalsContact O-N 3.14Å |
| 1936 | A | 85.5 | Confident | 90 | Very high | 24.4 Ų | 24.4 | 46.4 Ų | 46.4 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -78.6 | 143.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1903 L1933 N1938 L1941 V1942 | F1903-A1936 HydrophobicContact CE1-CB 4.4Å; L1933-A1936 VanDerWaalsContact O-CB 3.28Å; L1933-A1936 WeakPolarHBondContact O-CB 3.23Å; L1933-A1936 PolarHBondContact O-N 3.24Å; L1933-A1936 VanDerWaalsContact O-N 3.09Å; A1936-N1938 PolarHBondContact O-N 3.22Å; A1936-L1941 HydrophobicContact CB-CD2 3.87Å; A1936-V1942 VanDerWaalsContact O-CG2 3.27Å; A1936-V1942 WeakPolarHBondContact O-CG2 3.38Å |
| 1937 | N | 84.4 | Confident | 90.1 | Very high | 176.8 Ų | 176.8 | 48.1 Ų | 48.1 | 95% | 0.945 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -65.5 | -6.8 | -179.5 | -63.7 | -1.3 | 0 | 0 | 0 | 114.6 | ||
| 1938 | N | 87.7 | Confident | 90.2 | Very high | 76.2 Ų | 76.2 | 47.8 Ų | 47.8 | 41% | 0.407 | 24% | 0.241 | S | C | . | . | trans | -96 | 108.8 | -178.4 | -178.4 | -5 | 0 | 0 | 0 | 110.9 | A1936 S1940 L1941 V1942 | A1936-N1938 PolarHBondContact O-N 3.22Å; N1938-S1940 VanDerWaalsContact C-N 3.31Å; N1938-S1940 PolarHBondContact ND2-OG 3.25Å; N1938-S1940 PolarHBondContact O-N 3.12Å; N1938-S1940 PolarHBondContact OD1-N 3.01Å; N1938-S1940 VanDerWaalsContact OD1-N 3.09Å; N1938-S1940 PolarHBondContact OD1-OG 3.21Å; N1938-L1941 HydrophobicContact CB-CB 4.16Å; N1938-L1941 WeakPolarHBondContact O-CB 3.35Å; N1938-L1941 PolarHBondContact O-N 3.09Å; N1938-V1942 PolarHBondContact O-N 3.16Å; N1938-V1942 VanDerWaalsContact O-N 3.15Å | ||
| 1939 | R | 88.6 | Confident | 90.4 | Very high | 162.6 Ų | 162.6 | 45.7 Ų | 45.7 | 61% | 0.614 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -51.6 | -44.8 | -179 | -177 | 75 | -171.3 | -144.4 | 9.8 | 113.3 | L1941 V1942 D1943 H1974 | R1939-L1941 VanDerWaalsContact C-N 3.25Å; R1939-L1941 PolarHBondContact O-N 3.17Å; R1939-V1942 CarbonylContact O-C 3.56Å; R1939-V1942 WeakPolarHBondContact O-CA 3.41Å; R1939-V1942 WeakPolarHBondContact O-CB 3.38Å; R1939-V1942 PolarHBondContact O-N 3.01Å; R1939-D1943 IonicContact CZ-OD1 3.06Å; R1939-D1943 IonicContact NE-OD1 3.08Å; R1939-D1943 PolarHBondContact NE-OD1 3.25Å; R1939-D1943 IonicContact NE-OD2 3.39Å; R1939-D1943 IonicContact NH2-OD1 3.32Å; R1939-D1943 PolarHBondContact O-N 3.13Å; R1939-D1943 VanDerWaalsContact O-OD2 3.08Å; R1939-H1974 PolarHBondContact NH2-CD2 3.06Å; R1939-H1974 PolarHBondContact NH2-CE1 3.32Å; R1939-H1974 PolarHBondContact NH2-NE2 3.13Å |
| 1940 | S | 88.9 | Confident | 90.4 | Very high | 32.8 Ų | 32.8 | 45.9 Ų | 45.9 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.7 | -22.8 | -178.8 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | I1907 N1938 D1943 V1944 | I1907-S1940 VanDerWaalsContact CD1-OG 3.26Å; I1907-S1940 WeakPolarHBondContact CD1-OG 3.42Å; N1938-S1940 VanDerWaalsContact C-N 3.31Å; N1938-S1940 PolarHBondContact ND2-OG 3.25Å; N1938-S1940 PolarHBondContact O-N 3.12Å; N1938-S1940 PolarHBondContact OD1-N 3.01Å; N1938-S1940 VanDerWaalsContact OD1-N 3.09Å; N1938-S1940 PolarHBondContact OD1-OG 3.21Å; S1940-D1943 WeakPolarHBondContact CA-OD2 3.37Å; S1940-V1944 WeakPolarHBondContact O-CG2 3.45Å; S1940-V1944 PolarHBondContact O-N 3.19Å; S1940-V1944 VanDerWaalsContact O-N 3.16Å |
| 1941 | L | 90.9 | Very high | 90.4 | Very high | 10.4 Ų | 10.4 | 46.5 Ų | 46.5 | 5% | 0.054 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.8 | -34.4 | 170.1 | -175 | 59.7 | 0 | 0 | 0 | 111.5 | I1907 A1910 L1933 A1936 N1938 R1939 V1944 A1945 | I1907-L1941 HydrophobicContact CG1-CB 4.28Å; I1907-L1941 HydrophobicContact CG1-CD1 4.35Å; A1910-L1941 HydrophobicContact CB-CD1 3.85Å; L1933-L1941 HydrophobicContact CD2-CD1 4.42Å; L1933-L1941 HydrophobicContact CD2-CD2 4.25Å; L1933-L1941 HydrophobicContact CD2-CG 4.41Å; A1936-L1941 HydrophobicContact CB-CD2 3.87Å; N1938-L1941 HydrophobicContact CB-CB 4.16Å; N1938-L1941 WeakPolarHBondContact O-CB 3.35Å; N1938-L1941 PolarHBondContact O-N 3.09Å; R1939-L1941 VanDerWaalsContact C-N 3.25Å; R1939-L1941 PolarHBondContact O-N 3.17Å; L1941-V1944 PolarHBondContact O-N 3.29Å; L1941-A1945 WeakPolarHBondContact O-CB 3.37Å; L1941-A1945 PolarHBondContact O-N 3.15Å |
| 1942 | V | 92.1 | Very high | 90.4 | Very high | 25.6 Ų | 25.6 | 44.4 Ų | 44.4 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 172.8 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | S1934 A1936 N1938 R1939 V1944 A1945 A1946 | S1934-V1942 WeakPolarHBondContact O-CG2 3.42Å; A1936-V1942 VanDerWaalsContact O-CG2 3.27Å; A1936-V1942 WeakPolarHBondContact O-CG2 3.38Å; N1938-V1942 PolarHBondContact O-N 3.16Å; N1938-V1942 VanDerWaalsContact O-N 3.15Å; R1939-V1942 CarbonylContact O-C 3.56Å; R1939-V1942 WeakPolarHBondContact O-CA 3.41Å; R1939-V1942 WeakPolarHBondContact O-CB 3.38Å; R1939-V1942 PolarHBondContact O-N 3.01Å; V1942-V1944 VanDerWaalsContact C-N 3.34Å; V1942-V1944 PolarHBondContact O-N 3.18Å; V1942-A1945 CarbonylContact O-C 3.57Å; V1942-A1945 WeakPolarHBondContact O-CB 3.33Å; V1942-A1945 PolarHBondContact O-N 3.18Å; V1942-A1945 VanDerWaalsContact O-N 3.14Å; V1942-A1946 PolarHBondContact O-N 3.16Å |
| 1943 | D | 91.8 | Very high | 90.4 | Very high | 55.8 Ų | 55.8 | 40.6 Ų | 40.6 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.3 | -57.7 | -40.4 | 0 | 0 | 0 | 111 | R1939 S1940 A1946 E1947 H1974 | R1939-D1943 IonicContact CZ-OD1 3.06Å; R1939-D1943 IonicContact NE-OD1 3.08Å; R1939-D1943 PolarHBondContact NE-OD1 3.25Å; R1939-D1943 IonicContact NE-OD2 3.39Å; R1939-D1943 IonicContact NH2-OD1 3.32Å; R1939-D1943 PolarHBondContact O-N 3.13Å; R1939-D1943 VanDerWaalsContact O-OD2 3.08Å; S1940-D1943 WeakPolarHBondContact CA-OD2 3.37Å; D1943-A1946 WeakPolarHBondContact O-CB 3.3Å; D1943-A1946 PolarHBondContact O-N 2.8Å; D1943-E1947 PolarHBondContact O-N 3.04Å; D1943-H1974 IonicContact OD1-CD2 2.68Å; D1943-H1974 IonicContact OD1-CE1 2.89Å; D1943-H1974 PolarHBondContact OD1-CE1 2.87Å; D1943-H1974 IonicContact OD1-NE2 2.97Å; D1943-H1974 PolarHBondContact OD1-NE2 3.07Å |
| 1944 | V | 91.6 | Very high | 90.3 | Very high | 10.6 Ų | 10.6 | 42.7 Ų | 42.7 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70 | -34.3 | 173 | 176.8 | 0 | 0 | 0 | 0 | 112 | M1368 I1907 A1910 S1940 L1941 V1942 A1946 E1947 L1948 | M1368-V1944 HydrophobicContact CE-CG1 4.32Å; M1368-V1944 HydrophobicContact CG-CG2 4.11Å; M1368-V1944 HydrophobicContact SD-CG1 3.88Å; M1368-V1944 HydrophobicContact SD-CG2 4.26Å; I1907-V1944 HydrophobicContact CG2-CG2 4.35Å; A1910-V1944 HydrophobicContact CB-CB 4.42Å; A1910-V1944 HydrophobicContact CB-CG1 3.64Å; S1940-V1944 WeakPolarHBondContact O-CG2 3.45Å; S1940-V1944 PolarHBondContact O-N 3.19Å; S1940-V1944 VanDerWaalsContact O-N 3.16Å; L1941-V1944 PolarHBondContact O-N 3.29Å; V1942-V1944 VanDerWaalsContact C-N 3.34Å; V1942-V1944 PolarHBondContact O-N 3.18Å; V1944-A1946 VanDerWaalsContact C-N 3.29Å; V1944-A1946 PolarHBondContact O-N 3.23Å; V1944-E1947 PolarHBondContact O-N 3.36Å; V1944-L1948 HydrophobicContact CG1-CD1 4.18Å; V1944-L1948 HydrophobicContact CG1-CG 4.41Å; V1944-L1948 WeakPolarHBondContact O-CB 3.48Å; V1944-L1948 VanDerWaalsContact O-CG 3.3Å; V1944-L1948 WeakPolarHBondContact O-CG 3.39Å; V1944-L1948 PolarHBondContact O-N 3.09Å |
| 1945 | A | 93.4 | Very high | 90 | Very high | 1.2 Ų | 1.2 | 44.4 Ų | 44.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -34.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1933 L1941 V1942 L1948 C1949 | L1933-A1945 HydrophobicContact CB-CB 3.74Å; L1941-A1945 WeakPolarHBondContact O-CB 3.37Å; L1941-A1945 PolarHBondContact O-N 3.15Å; V1942-A1945 CarbonylContact O-C 3.57Å; V1942-A1945 WeakPolarHBondContact O-CB 3.33Å; V1942-A1945 PolarHBondContact O-N 3.18Å; V1942-A1945 VanDerWaalsContact O-N 3.14Å; A1945-L1948 WeakPolarHBondContact O-CB 3.39Å; A1945-L1948 PolarHBondContact O-N 2.95Å; A1945-C1949 WeakPolarHBondContact O-CB 3.38Å; A1945-C1949 PolarHBondContact O-N 3.3Å |
| 1946 | A | 93.3 | Very high | 89.9 | Confident | 7.4 Ų | 7.4 | 36 Ų | 36 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1942 D1943 V1944 L1948 C1949 L1950 H1974 T1978 | V1942-A1946 PolarHBondContact O-N 3.16Å; D1943-A1946 WeakPolarHBondContact O-CB 3.3Å; D1943-A1946 PolarHBondContact O-N 2.8Å; V1944-A1946 VanDerWaalsContact C-N 3.29Å; V1944-A1946 PolarHBondContact O-N 3.23Å; A1946-L1948 VanDerWaalsContact C-N 3.32Å; A1946-L1948 PolarHBondContact O-N 3.32Å; A1946-C1949 WeakPolarHBondContact O-CB 3.4Å; A1946-C1949 PolarHBondContact O-N 3.21Å; A1946-C1949 VanDerWaalsContact O-N 3.13Å; A1946-L1950 WeakPolarHBondContact O-CG 3.4Å; A1946-L1950 PolarHBondContact O-N 3Å; A1946-H1974 HydrophobicContact CB-CB 4.38Å; A1946-H1974 WeakPolarHBondContact CB-CD2 3.37Å; A1946-H1974 WeakPolarHBondContact CB-ND1 3.27Å; A1946-T1978 HydrophobicContact CB-CG2 4Å |
| 1947 | E | 92.9 | Very high | 89.6 | Confident | 35.4 Ų | 35.4 | 37.8 Ų | 37.8 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | 174.7 | -66.6 | -63.7 | 158.6 | 0 | 0 | 112.7 | M1368 Y1914 D1943 V1944 C1949 L1950 A1951 R1981 S2148 L2151 | M1368-E1947 HydrophobicContact CE-CB 3.4Å; M1368-E1947 VanDerWaalsContact CE-CB 3.4Å; M1368-E1947 HydrophobicContact CE-CG 3.86Å; Y1914-E1947 HydrophobicContact CD2-CB 4.22Å; Y1914-E1947 HydrophobicContact CE2-CB 3.94Å; Y1914-E1947 WeakPolarHBondContact CE2-O 3.35Å; Y1914-E1947 PolarHBondContact OH-OE2 2.92Å; D1943-E1947 PolarHBondContact O-N 3.04Å; V1944-E1947 PolarHBondContact O-N 3.36Å; E1947-C1949 VanDerWaalsContact C-N 3.32Å; E1947-C1949 PolarHBondContact O-N 3.28Å; E1947-L1950 PolarHBondContact O-N 3.06Å; E1947-A1951 WeakPolarHBondContact O-CB 3.38Å; E1947-A1951 PolarHBondContact O-N 3.04Å; E1947-R1981 VanDerWaalsContact CD-NH2 3.29Å; E1947-R1981 IonicContact OE1-CZ 3.52Å; E1947-R1981 IonicContact OE1-NH1 3.03Å; E1947-R1981 PolarHBondContact OE1-NH1 3.1Å; E1947-R1981 IonicContact OE1-NH2 3.09Å; E1947-R1981 PolarHBondContact OE1-NH2 3.02Å; E1947-R1981 IonicContact OE2-CZ 3.26Å; E1947-R1981 IonicContact OE2-NH1 3.28Å; E1947-R1981 PolarHBondContact OE2-NH1 2.95Å; E1947-R1981 IonicContact OE2-NH2 2.99Å; E1947-R1981 PolarHBondContact OE2-NH2 3.19Å; E1947-S2148 PolarHBondContact OE1-OG 3.33Å; E1947-L2151 HydrophobicContact CG-CD1 4.3Å |
| 1948 | L | 92.6 | Very high | 89.5 | Confident | 0.2 Ų | 0.2 | 32.2 Ų | 32.2 | 0% | 0.001 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -37.1 | 170.9 | -72.7 | 166.5 | 0 | 0 | 0 | 112 | A1910 L1913 Y1914 L1926 A1930 L1933 V1944 A1945 A1946 A1951 S1952 | A1910-L1948 HydrophobicContact CB-CD1 4.16Å; L1913-L1948 HydrophobicContact CB-CD2 4.19Å; L1913-L1948 HydrophobicContact CD2-CD2 4.33Å; L1913-L1948 HydrophobicContact CG-CD2 4.31Å; Y1914-L1948 HydrophobicContact CD2-CD2 4.45Å; L1926-L1948 HydrophobicContact CD1-CD2 3.94Å; L1926-L1948 WeakPolarHBondContact CD2-O 3.37Å; L1926-L1948 HydrophobicContact CG-CD2 4.39Å; A1930-L1948 HydrophobicContact CB-CB 4.06Å; L1933-L1948 HydrophobicContact CD1-CD1 3.94Å; V1944-L1948 HydrophobicContact CG1-CD1 4.18Å; V1944-L1948 HydrophobicContact CG1-CG 4.41Å; V1944-L1948 WeakPolarHBondContact O-CB 3.48Å; V1944-L1948 VanDerWaalsContact O-CG 3.3Å; V1944-L1948 WeakPolarHBondContact O-CG 3.39Å; V1944-L1948 PolarHBondContact O-N 3.09Å; A1945-L1948 WeakPolarHBondContact O-CB 3.39Å; A1945-L1948 PolarHBondContact O-N 2.95Å; A1946-L1948 VanDerWaalsContact C-N 3.32Å; A1946-L1948 PolarHBondContact O-N 3.32Å; L1948-A1951 PolarHBondContact O-N 2.99Å; L1948-S1952 PolarHBondContact O-N 2.9Å; L1948-S1952 VanDerWaalsContact O-N 3.07Å |
| 1949 | C | 93.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -47 | 174.6 | -163.3 | 0 | 0 | 0 | 0 | 111.4 | A1930 A1945 A1946 E1947 A1951 S1952 L1953 A1967 | A1930-C1949 HydrophobicContact CB-CB 4.32Å; A1945-C1949 WeakPolarHBondContact O-CB 3.38Å; A1945-C1949 PolarHBondContact O-N 3.3Å; A1946-C1949 WeakPolarHBondContact O-CB 3.4Å; A1946-C1949 PolarHBondContact O-N 3.21Å; A1946-C1949 VanDerWaalsContact O-N 3.13Å; E1947-C1949 VanDerWaalsContact C-N 3.32Å; E1947-C1949 PolarHBondContact O-N 3.28Å; C1949-A1951 VanDerWaalsContact C-N 3.28Å; C1949-A1951 PolarHBondContact O-N 3.17Å; C1949-S1952 WeakPolarHBondContact O-CA 3.43Å; C1949-S1952 WeakPolarHBondContact O-CB 3.37Å; C1949-S1952 PolarHBondContact O-N 3.11Å; C1949-S1952 VanDerWaalsContact O-N 3.11Å; C1949-S1952 PolarHBondContact O-OG 3.13Å; C1949-L1953 WeakPolarHBondContact O-CG 3.39Å; C1949-L1953 PolarHBondContact O-N 3.03Å; C1949-L1953 VanDerWaalsContact O-N 3.07Å; C1949-A1967 VanDerWaalsContact SG-CA 3.56Å; C1949-A1967 WeakPolarHBondContact SG-CA 3.49Å; C1949-A1967 VanDerWaalsContact SG-CB 3.57Å; C1949-A1967 PolarHBondContact SG-O 3.11Å; C1949-A1967 VanDerWaalsContact SG-O 3.38Å |
| 1950 | L | 92.9 | Very high | 89.2 | Confident | 7.8 Ų | 7.8 | 26.5 Ų | 26.5 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -37.3 | 173.3 | -68.6 | 178.9 | 0 | 0 | 0 | 112.3 | A1946 E1947 S1952 L1953 S1954 T1978 R1981 G1982 | A1946-L1950 WeakPolarHBondContact O-CG 3.4Å; A1946-L1950 PolarHBondContact O-N 3Å; E1947-L1950 PolarHBondContact O-N 3.06Å; L1950-S1952 VanDerWaalsContact C-N 3.35Å; L1950-S1952 PolarHBondContact O-N 3.46Å; L1950-L1953 HydrophobicContact CD2-CD1 4.4Å; L1950-L1953 PolarHBondContact O-N 3.24Å; L1950-S1954 PolarHBondContact O-N 3.29Å; L1950-T1978 HydrophobicContact CD1-CG2 4.19Å; L1950-T1978 HydrophobicContact CD2-CG2 4.4Å; L1950-T1978 HydrophobicContact CG-CG2 4.31Å; L1950-R1981 HydrophobicContact CD1-CB 4.12Å; L1950-R1981 VanDerWaalsContact CD1-CZ 3.44Å; L1950-R1981 VanDerWaalsContact CD1-NH2 3.34Å; L1950-R1981 HydrophobicContact CD2-CB 4.16Å; L1950-G1982 VanDerWaalsContact CD2-N 3.34Å |
| 1951 | A | 91.6 | Very high | 89 | Confident | 13.8 Ų | 13.8 | 27 Ų | 27 | 11% | 0.114 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1914 W1917 L1926 E1947 L1948 C1949 L1953 S1954 | Y1914-A1951 HydrophobicContact CD2-CB 4.36Å; Y1914-A1951 HydrophobicContact CE2-CB 4.34Å; W1917-A1951 HydrophobicContact CZ2-CB 4.27Å; W1917-A1951 VanDerWaalsContact CZ2-O 3.31Å; W1917-A1951 WeakPolarHBondContact CZ2-O 3.31Å; L1926-A1951 HydrophobicContact CD2-CB 4.21Å; E1947-A1951 WeakPolarHBondContact O-CB 3.38Å; E1947-A1951 PolarHBondContact O-N 3.04Å; L1948-A1951 PolarHBondContact O-N 2.99Å; C1949-A1951 VanDerWaalsContact C-N 3.28Å; C1949-A1951 PolarHBondContact O-N 3.17Å; A1951-L1953 VanDerWaalsContact C-N 3.32Å; A1951-L1953 PolarHBondContact O-N 2.87Å; A1951-S1954 WeakPolarHBondContact O-CB 3.31Å; A1951-S1954 PolarHBondContact O-N 3.14Å; A1951-S1954 PolarHBondContact O-OG 3.31Å |
| 1952 | S | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -35.3 | 175.1 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | A1923 T1927 L1948 C1949 L1950 S1954 L1955 | A1923-S1952 WeakPolarHBondContact O-CB 3.49Å; T1927-S1952 VanDerWaalsContact OG1-CB 3.25Å; T1927-S1952 WeakPolarHBondContact OG1-CB 3.37Å; T1927-S1952 PolarHBondContact OG1-OG 3.09Å; L1948-S1952 PolarHBondContact O-N 2.9Å; L1948-S1952 VanDerWaalsContact O-N 3.07Å; C1949-S1952 WeakPolarHBondContact O-CA 3.43Å; C1949-S1952 WeakPolarHBondContact O-CB 3.37Å; C1949-S1952 PolarHBondContact O-N 3.11Å; C1949-S1952 VanDerWaalsContact O-N 3.11Å; C1949-S1952 PolarHBondContact O-OG 3.13Å; L1950-S1952 VanDerWaalsContact C-N 3.35Å; L1950-S1952 PolarHBondContact O-N 3.46Å; S1952-S1954 VanDerWaalsContact C-N 3.26Å; S1952-S1954 PolarHBondContact O-N 2.95Å; S1952-L1955 CarbonylContact O-C 3.55Å; S1952-L1955 PolarHBondContact O-N 3.07Å |
| 1953 | L | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -21.5 | 175.8 | -70 | 177.4 | 0 | 0 | 0 | 113.6 | C1949 L1950 A1951 L1955 C1956 L1959 L1964 A1967 L1968 C1985 V1986 S1989 | C1949-L1953 WeakPolarHBondContact O-CG 3.39Å; C1949-L1953 PolarHBondContact O-N 3.03Å; C1949-L1953 VanDerWaalsContact O-N 3.07Å; L1950-L1953 HydrophobicContact CD2-CD1 4.4Å; L1950-L1953 PolarHBondContact O-N 3.24Å; A1951-L1953 VanDerWaalsContact C-N 3.32Å; A1951-L1953 PolarHBondContact O-N 2.87Å; L1953-L1955 PolarHBondContact O-N 3.29Å; L1953-L1955 VanDerWaalsContact O-N 3.14Å; L1953-C1956 WeakPolarHBondContact O-CB 3.4Å; L1953-C1956 PolarHBondContact O-N 3.09Å; L1953-C1956 VanDerWaalsContact O-N 3.1Å; L1953-L1959 HydrophobicContact CD2-CD1 4.24Å; L1953-L1964 HydrophobicContact CD2-CD1 3.55Å; L1953-L1964 HydrophobicContact CD2-CG 4.32Å; L1953-A1967 HydrophobicContact CD1-CB 4.46Å; L1953-A1967 HydrophobicContact CD2-CB 3.64Å; L1953-A1967 HydrophobicContact CG-CB 4.14Å; L1953-L1968 HydrophobicContact CD1-CD2 3.77Å; L1953-L1968 HydrophobicContact CD1-CG 4.44Å; L1953-L1968 HydrophobicContact CD2-CD2 4.39Å; L1953-L1968 HydrophobicContact CD2-CG 4.34Å; L1953-C1985 HydrophobicContact CB-CB 4.31Å; L1953-V1986 HydrophobicContact CB-CG2 4.13Å; L1953-V1986 HydrophobicContact CD1-CG2 4.41Å; L1953-V1986 HydrophobicContact CD2-CG2 3.81Å; L1953-V1986 HydrophobicContact CG-CG2 4.37Å; L1953-S1989 PolarHBondContact O-OG 3.04Å |
| 1954 | S | 87.3 | Confident | 88.5 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 31% | 0.308 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.9 | 173.5 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | L1950 A1951 S1952 C1985 S1989 | L1950-S1954 PolarHBondContact O-N 3.29Å; A1951-S1954 WeakPolarHBondContact O-CB 3.31Å; A1951-S1954 PolarHBondContact O-N 3.14Å; A1951-S1954 PolarHBondContact O-OG 3.31Å; S1952-S1954 VanDerWaalsContact C-N 3.26Å; S1952-S1954 PolarHBondContact O-N 2.95Å; S1954-C1985 VanDerWaalsContact CA-SG 3.54Å; S1954-C1985 PolarHBondContact N-SG 3.45Å; S1954-S1989 VanDerWaalsContact C-OG 3.28Å; S1954-S1989 WeakPolarHBondContact CA-OG 3.42Å; S1954-S1989 VanDerWaalsContact O-CB 3.24Å; S1954-S1989 WeakPolarHBondContact O-CB 3.32Å; S1954-S1989 PolarHBondContact O-OG 2.9Å; S1954-S1989 VanDerWaalsContact O-OG 3.06Å |
| 1955 | L | 84.2 | Confident | 88.5 | Confident | 66.6 Ų | 66.6 | 31.9 Ų | 31.9 | 35% | 0.349 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 45.5 | 174.4 | -94.4 | 86.8 | 0 | 0 | 0 | 110.6 | Y1631 W1917 A1923 S1952 L1953 T1957 A1958 | Y1631-L1955 HydrophobicContact CE1-CD1 4.09Å; Y1631-L1955 HydrophobicContact CE1-CD2 4.14Å; W1917-L1955 HydrophobicContact CH2-CD1 3.99Å; W1917-L1955 HydrophobicContact CH2-CD2 4.19Å; W1917-L1955 HydrophobicContact CZ2-CD1 4.39Å; W1917-L1955 HydrophobicContact CZ3-CD1 4.39Å; A1923-L1955 HydrophobicContact CB-CB 4.34Å; S1952-L1955 CarbonylContact O-C 3.55Å; S1952-L1955 PolarHBondContact O-N 3.07Å; L1953-L1955 PolarHBondContact O-N 3.29Å; L1953-L1955 VanDerWaalsContact O-N 3.14Å; L1955-T1957 PolarHBondContact O-N 3.08Å; L1955-T1957 VanDerWaalsContact O-N 3.09Å; L1955-A1958 HydrophobicContact CB-CB 4.48Å; L1955-A1958 HydrophobicContact CD2-CB 4.03Å; L1955-A1958 HydrophobicContact CG-CB 4.28Å; L1955-A1958 WeakPolarHBondContact O-CB 3.37Å; L1955-A1958 PolarHBondContact O-N 3.03Å |
| 1956 | C | 84 | Confident | 88.3 | Confident | 3.4 Ų | 3.4 | 36.9 Ų | 36.9 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -52.8 | -31.7 | -173.8 | 65.9 | 0 | 0 | 0 | 0 | 115 | L1953 A1958 L1959 L1964 V1986 S1989 I1997 | L1953-C1956 WeakPolarHBondContact O-CB 3.4Å; L1953-C1956 PolarHBondContact O-N 3.09Å; L1953-C1956 VanDerWaalsContact O-N 3.1Å; C1956-A1958 VanDerWaalsContact C-N 3.27Å; C1956-A1958 PolarHBondContact O-N 3.17Å; C1956-L1959 WeakPolarHBondContact O-CB 3.4Å; C1956-L1959 PolarHBondContact O-N 3.21Å; C1956-L1959 VanDerWaalsContact O-N 3.14Å; C1956-L1964 HydrophobicContact CB-CD1 3.8Å; C1956-V1986 HydrophobicContact CB-CG1 4.11Å; C1956-V1986 HydrophobicContact CB-CG2 4.19Å; C1956-S1989 VanDerWaalsContact SG-CB 3.52Å; C1956-S1989 WeakPolarHBondContact SG-CB 3.44Å; C1956-S1989 PolarHBondContact SG-OG 3.29Å; C1956-I1997 VanDerWaalsContact SG-CD1 3.54Å; C1956-I1997 WeakPolarHBondContact SG-CD1 3.28Å |
| 1957 | T | 79.3 | Confident | 88.1 | Confident | 62.6 Ų | 62.6 | 36.6 Ų | 36.6 | 38% | 0.384 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -72 | -11.9 | 177.7 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | L1955 S1993 H1995 I1997 | L1955-T1957 PolarHBondContact O-N 3.08Å; L1955-T1957 VanDerWaalsContact O-N 3.09Å; T1957-S1993 VanDerWaalsContact CG2-OG 3.27Å; T1957-S1993 WeakPolarHBondContact CG2-OG 3.46Å; T1957-H1995 HydrophobicContact CG2-CB 4.36Å; T1957-I1997 HydrophobicContact CG2-CD1 4.44Å; T1957-I1997 HydrophobicContact CG2-CG1 4.12Å |
| 1958 | A | 81.9 | Confident | 88 | Confident | 59.8 Ų | 59.8 | 35 Ų | 35 | 49% | 0.494 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -93.3 | -4.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1923 L1955 C1956 | A1923-A1958 HydrophobicContact CB-CB 4.39Å; L1955-A1958 HydrophobicContact CB-CB 4.48Å; L1955-A1958 HydrophobicContact CD2-CB 4.03Å; L1955-A1958 HydrophobicContact CG-CB 4.28Å; L1955-A1958 WeakPolarHBondContact O-CB 3.37Å; L1955-A1958 PolarHBondContact O-N 3.03Å; C1956-A1958 VanDerWaalsContact C-N 3.27Å; C1956-A1958 PolarHBondContact O-N 3.17Å |
| 1959 | L | 84.8 | Confident | 87.8 | Confident | 16.2 Ų | 16.2 | 40.1 Ų | 40.1 | 9% | 0.085 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -93 | 144 | 175.6 | -63.4 | 176.3 | 0 | 0 | 0 | 110.5 | A1923 A1924 L1953 C1956 E1963 L1964 | A1923-L1959 VanDerWaalsContact C-CD2 3.44Å; A1923-L1959 HydrophobicContact CB-CD2 3.66Å; A1923-L1959 HydrophobicContact CB-CG 4.15Å; A1924-L1959 HydrophobicContact CB-CD2 4.27Å; L1953-L1959 HydrophobicContact CD2-CD1 4.24Å; C1956-L1959 WeakPolarHBondContact O-CB 3.4Å; C1956-L1959 PolarHBondContact O-N 3.21Å; C1956-L1959 VanDerWaalsContact O-N 3.14Å; L1959-E1963 HydrophobicContact CB-CB 4.29Å; L1959-E1963 HydrophobicContact CD2-CB 4.3Å; L1959-L1964 HydrophobicContact CB-CB 4.34Å; L1959-L1964 HydrophobicContact CD1-CB 4.42Å; L1959-L1964 HydrophobicContact CD1-CD1 3.92Å |
| 1960 | K | 84.9 | Confident | 87.6 | Confident | 102.8 Ų | 102.8 | 40.6 Ų | 40.6 | 45% | 0.447 | 21% | 0.211 | S | C | . | . | trans | -69.3 | 153.7 | 166.3 | -58.9 | 178.4 | -156.2 | 74 | 0 | 109.3 | Q1962 E1963 L1964 | K1960-Q1962 PolarHBondContact O-N 3.15Å; K1960-Q1962 VanDerWaalsContact O-N 3.12Å; K1960-E1963 HydrophobicContact CB-CB 4.49Å; K1960-E1963 HydrophobicContact CB-CG 4.25Å; K1960-E1963 VanDerWaalsContact CB-OE2 3.31Å; K1960-E1963 WeakPolarHBondContact CB-OE2 3.32Å; K1960-E1963 VanDerWaalsContact CG-OE2 3.29Å; K1960-E1963 WeakPolarHBondContact CG-OE2 3.37Å; K1960-E1963 PolarHBondContact N-OE2 3.08Å; K1960-E1963 VanDerWaalsContact NZ-CD 3.31Å; K1960-E1963 IonicContact NZ-OE1 3.19Å; K1960-E1963 PolarHBondContact NZ-OE1 3.3Å; K1960-E1963 IonicContact NZ-OE2 3.1Å; K1960-E1963 PolarHBondContact NZ-OE2 3.27Å; K1960-E1963 WeakPolarHBondContact O-CA 3.42Å; K1960-E1963 WeakPolarHBondContact O-CB 3.38Å; K1960-E1963 PolarHBondContact O-N 3.31Å; K1960-L1964 PolarHBondContact O-N 3.04Å | ||
| 1961 | P | 85.5 | Confident | 87.4 | Confident | 42.8 Ų | 42.8 | 40.3 Ų | 40.3 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52 | -40.5 | 178.8 | -28.3 | 35.1 | 0 | 0 | 0 | 113.5 | E1963 L1964 Y1965 L1998 I2001 | P1961-E1963 VanDerWaalsContact C-N 3.33Å; P1961-E1963 PolarHBondContact O-N 3.06Å; P1961-L1964 PolarHBondContact O-N 3.14Å; P1961-Y1965 HydrophobicContact CB-CE2 4.17Å; P1961-Y1965 VanDerWaalsContact O-CD2 3.3Å; P1961-Y1965 WeakPolarHBondContact O-CD2 3.43Å; P1961-Y1965 VanDerWaalsContact O-CG 3.24Å; P1961-Y1965 PolarHBondContact O-N 3.27Å; P1961-L1998 HydrophobicContact CG-CD1 3.97Å; P1961-L1998 HydrophobicContact CG-CD2 4.05Å; P1961-I2001 HydrophobicContact CB-CD1 4.1Å; P1961-I2001 HydrophobicContact CB-CG1 4.45Å; P1961-I2001 HydrophobicContact CG-CD1 4.18Å |
| 1962 | Q | 87.2 | Confident | 87.3 | Confident | 127.2 Ų | 127.2 | 41.3 Ų | 41.3 | 59% | 0.594 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.9 | -26.6 | 177.4 | -60.6 | -62.8 | -17.2 | 0 | 0 | 114 | K1960 R1966 | K1960-Q1962 PolarHBondContact O-N 3.15Å; K1960-Q1962 VanDerWaalsContact O-N 3.12Å; Q1962-R1966 WeakPolarHBondContact O-CB 3.32Å; Q1962-R1966 VanDerWaalsContact O-CD 3.32Å; Q1962-R1966 WeakPolarHBondContact O-CD 3.32Å; Q1962-R1966 VanDerWaalsContact O-CG 3.27Å; Q1962-R1966 WeakPolarHBondContact O-CG 3.44Å; Q1962-R1966 PolarHBondContact O-N 3.2Å |
| 1963 | E | 87.2 | Confident | 87.2 | Confident | 41.6 Ų | 41.6 | 48.3 Ų | 48.3 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.4 | -38.4 | 174.6 | -67.8 | 157.7 | 178.8 | 0 | 0 | 110 | A1924 L1959 K1960 P1961 R1966 A1967 | A1924-E1963 WeakPolarHBondContact CB-OE2 3.47Å; L1959-E1963 HydrophobicContact CB-CB 4.29Å; L1959-E1963 HydrophobicContact CD2-CB 4.3Å; K1960-E1963 HydrophobicContact CB-CB 4.49Å; K1960-E1963 HydrophobicContact CB-CG 4.25Å; K1960-E1963 VanDerWaalsContact CB-OE2 3.31Å; K1960-E1963 WeakPolarHBondContact CB-OE2 3.32Å; K1960-E1963 VanDerWaalsContact CG-OE2 3.29Å; K1960-E1963 WeakPolarHBondContact CG-OE2 3.37Å; K1960-E1963 PolarHBondContact N-OE2 3.08Å; K1960-E1963 VanDerWaalsContact NZ-CD 3.31Å; K1960-E1963 IonicContact NZ-OE1 3.19Å; K1960-E1963 PolarHBondContact NZ-OE1 3.3Å; K1960-E1963 IonicContact NZ-OE2 3.1Å; K1960-E1963 PolarHBondContact NZ-OE2 3.27Å; K1960-E1963 WeakPolarHBondContact O-CA 3.42Å; K1960-E1963 WeakPolarHBondContact O-CB 3.38Å; K1960-E1963 PolarHBondContact O-N 3.31Å; P1961-E1963 VanDerWaalsContact C-N 3.33Å; P1961-E1963 PolarHBondContact O-N 3.06Å; E1963-R1966 PolarHBondContact O-N 3.3Å; E1963-A1967 VanDerWaalsContact O-CB 3.28Å; E1963-A1967 WeakPolarHBondContact O-CB 3.35Å; E1963-A1967 PolarHBondContact O-N 3.29Å |
| 1964 | L | 90 | Very high | 87.1 | Confident | 2.8 Ų | 2.8 | 50.4 Ų | 50.4 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 175.5 | -173.9 | 119.6 | 0 | 0 | 0 | 112.7 | L1953 C1956 L1959 K1960 P1961 R1966 A1967 L1968 V1986 I2001 | L1953-L1964 HydrophobicContact CD2-CD1 3.55Å; L1953-L1964 HydrophobicContact CD2-CG 4.32Å; C1956-L1964 HydrophobicContact CB-CD1 3.8Å; L1959-L1964 HydrophobicContact CB-CB 4.34Å; L1959-L1964 HydrophobicContact CD1-CB 4.42Å; L1959-L1964 HydrophobicContact CD1-CD1 3.92Å; K1960-L1964 PolarHBondContact O-N 3.04Å; P1961-L1964 PolarHBondContact O-N 3.14Å; L1964-R1966 PolarHBondContact O-N 3.07Å; L1964-A1967 PolarHBondContact O-N 3.31Å; L1964-L1968 HydrophobicContact CD2-CD1 3.71Å; L1964-L1968 HydrophobicContact CD2-CG 4.43Å; L1964-L1968 HydrophobicContact CG-CD1 4.41Å; L1964-L1968 WeakPolarHBondContact O-CG 3.12Å; L1964-L1968 PolarHBondContact O-N 3.07Å; L1964-V1986 HydrophobicContact CD1-CG1 4.35Å; L1964-V1986 HydrophobicContact CD1-CG2 4.11Å; L1964-I2001 HydrophobicContact CD1-CD1 4.38Å; L1964-I2001 HydrophobicContact CD1-CG2 4.12Å; L1964-I2001 HydrophobicContact CD2-CB 4.44Å; L1964-I2001 HydrophobicContact CD2-CD1 3.88Å; L1964-I2001 HydrophobicContact CD2-CG1 4.26Å; L1964-I2001 HydrophobicContact CD2-CG2 3.54Å; L1964-I2001 VanDerWaalsContact CD2-CG2 3.43Å |
| 1965 | Y | 90.7 | Very high | 87.2 | Confident | 32.8 Ų | 32.8 | 50.1 Ų | 50.1 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 175.4 | -64.5 | -35.5 | 0 | 0 | 0 | 111.2 | P1961 A1967 L1968 E1969 E2000 I2001 F2004 | P1961-Y1965 HydrophobicContact CB-CE2 4.17Å; P1961-Y1965 VanDerWaalsContact O-CD2 3.3Å; P1961-Y1965 WeakPolarHBondContact O-CD2 3.43Å; P1961-Y1965 VanDerWaalsContact O-CG 3.24Å; P1961-Y1965 PolarHBondContact O-N 3.27Å; Y1965-A1967 VanDerWaalsContact C-N 3.34Å; Y1965-A1967 PolarHBondContact O-N 3.21Å; Y1965-L1968 PolarHBondContact O-N 3.13Å; Y1965-E1969 VanDerWaalsContact O-CB 3.27Å; Y1965-E1969 WeakPolarHBondContact O-CB 3.37Å; Y1965-E1969 PolarHBondContact O-N 3.13Å; Y1965-E2000 WeakPolarHBondContact CE2-OE1 3.29Å; Y1965-E2000 WeakPolarHBondContact OH-CB 3.4Å; Y1965-E2000 VanDerWaalsContact OH-CG 3.25Å; Y1965-E2000 WeakPolarHBondContact OH-CG 3.37Å; Y1965-E2000 PolarHBondContact OH-OE1 2.91Å; Y1965-I2001 HydrophobicContact CE1-CB 4.45Å; Y1965-I2001 HydrophobicContact CE1-CG1 3.94Å; Y1965-F2004 HydrophobicContact CD1-CB 4.15Å; Y1965-F2004 AromaticContact CD1-CD1 3.87Å; Y1965-F2004 HydrophobicContact CD1-CD1 3.87Å; Y1965-F2004 AromaticContact CD1-CD2 3.71Å; Y1965-F2004 HydrophobicContact CD1-CD2 3.71Å; Y1965-F2004 HydrophobicContact CD1-CE1 4.18Å; Y1965-F2004 AromaticContact CD1-CE2 3.97Å; Y1965-F2004 HydrophobicContact CD1-CE2 4.03Å; Y1965-F2004 AromaticContact CD1-CG 3.63Å; Y1965-F2004 HydrophobicContact CD1-CG 3.63Å; Y1965-F2004 HydrophobicContact CD1-CZ 4.25Å; Y1965-F2004 HydrophobicContact CE1-CB 3.66Å; Y1965-F2004 HydrophobicContact CE1-CD1 4.23Å; Y1965-F2004 AromaticContact CE1-CD2 3.93Å; Y1965-F2004 HydrophobicContact CE1-CD2 3.93Å; Y1965-F2004 AromaticContact CE1-CG 3.67Å; Y1965-F2004 HydrophobicContact CE1-CG 3.67Å; Y1965-F2004 HydrophobicContact CG-CD2 4.42Å; Y1965-F2004 HydrophobicContact CG-CE2 4.44Å |
| 1966 | R | 88.7 | Confident | 87.5 | Confident | 107.6 Ų | 107.6 | 50 Ų | 50 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.4 | -72.5 | 172.7 | 111.2 | -135 | -1.5 | 112.3 | F1931 Q1962 E1963 L1964 L1968 E1969 Q1970 | F1931-R1966 VanDerWaalsContact CE1-NH2 3.29Å; F1931-R1966 VanDerWaalsContact CE2-NH2 3.3Å; F1931-R1966 VanDerWaalsContact CZ-NH2 3.33Å; Q1962-R1966 WeakPolarHBondContact O-CB 3.32Å; Q1962-R1966 VanDerWaalsContact O-CD 3.32Å; Q1962-R1966 WeakPolarHBondContact O-CD 3.32Å; Q1962-R1966 VanDerWaalsContact O-CG 3.27Å; Q1962-R1966 WeakPolarHBondContact O-CG 3.44Å; Q1962-R1966 PolarHBondContact O-N 3.2Å; E1963-R1966 PolarHBondContact O-N 3.3Å; L1964-R1966 PolarHBondContact O-N 3.07Å; R1966-L1968 VanDerWaalsContact C-N 3.33Å; R1966-L1968 PolarHBondContact O-N 3.28Å; R1966-E1969 PolarHBondContact O-N 3.26Å; R1966-Q1970 VanDerWaalsContact O-CB 3.29Å; R1966-Q1970 WeakPolarHBondContact O-CB 3.46Å; R1966-Q1970 VanDerWaalsContact O-CG 3.3Å; R1966-Q1970 WeakPolarHBondContact O-CG 3.46Å; R1966-Q1970 PolarHBondContact O-N 3.11Å |
| 1967 | A | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1927 C1949 L1953 E1963 L1964 Y1965 C1971 | T1927-A1967 HydrophobicContact CG2-CB 3.95Å; C1949-A1967 VanDerWaalsContact SG-CA 3.56Å; C1949-A1967 WeakPolarHBondContact SG-CA 3.49Å; C1949-A1967 VanDerWaalsContact SG-CB 3.57Å; C1949-A1967 PolarHBondContact SG-O 3.11Å; C1949-A1967 VanDerWaalsContact SG-O 3.38Å; L1953-A1967 HydrophobicContact CD1-CB 4.46Å; L1953-A1967 HydrophobicContact CD2-CB 3.64Å; L1953-A1967 HydrophobicContact CG-CB 4.14Å; E1963-A1967 VanDerWaalsContact O-CB 3.28Å; E1963-A1967 WeakPolarHBondContact O-CB 3.35Å; E1963-A1967 PolarHBondContact O-N 3.29Å; L1964-A1967 PolarHBondContact O-N 3.31Å; Y1965-A1967 VanDerWaalsContact C-N 3.34Å; Y1965-A1967 PolarHBondContact O-N 3.21Å; A1967-C1971 PolarHBondContact O-N 3.02Å; A1967-C1971 VanDerWaalsContact O-N 3.13Å; A1967-C1971 PolarHBondContact O-SG 3.17Å |
| 1968 | L | 91.5 | Very high | 88.4 | Confident | 1.8 Ų | 1.8 | 52.1 Ų | 52.1 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.3 | -38.9 | 175.8 | -70.9 | 173.4 | 0 | 0 | 0 | 112.5 | L1953 L1964 Y1965 R1966 Q1970 C1971 G1972 L1979 L1983 V1986 F2004 I2005 | L1953-L1968 HydrophobicContact CD1-CD2 3.77Å; L1953-L1968 HydrophobicContact CD1-CG 4.44Å; L1953-L1968 HydrophobicContact CD2-CD2 4.39Å; L1953-L1968 HydrophobicContact CD2-CG 4.34Å; L1964-L1968 HydrophobicContact CD2-CD1 3.71Å; L1964-L1968 HydrophobicContact CD2-CG 4.43Å; L1964-L1968 HydrophobicContact CG-CD1 4.41Å; L1964-L1968 WeakPolarHBondContact O-CG 3.12Å; L1964-L1968 PolarHBondContact O-N 3.07Å; Y1965-L1968 PolarHBondContact O-N 3.13Å; R1966-L1968 VanDerWaalsContact C-N 3.33Å; R1966-L1968 PolarHBondContact O-N 3.28Å; L1968-Q1970 VanDerWaalsContact C-N 3.34Å; L1968-Q1970 PolarHBondContact O-N 2.83Å; L1968-C1971 WeakPolarHBondContact O-CB 3.37Å; L1968-C1971 PolarHBondContact O-N 2.99Å; L1968-G1972 PolarHBondContact O-N 3.1Å; L1968-L1979 HydrophobicContact CB-CD1 4.48Å; L1968-L1979 HydrophobicContact CD2-CD1 4.47Å; L1968-L1979 WeakPolarHBondContact O-CD1 3.44Å; L1968-L1983 HydrophobicContact CD1-CD2 4.24Å; L1968-L1983 HydrophobicContact CD2-CD2 3.98Å; L1968-L1983 HydrophobicContact CD2-CG 4.47Å; L1968-V1986 HydrophobicContact CD2-CG2 4.26Å; L1968-F2004 HydrophobicContact CB-CE1 3.82Å; L1968-F2004 HydrophobicContact CB-CZ 4.5Å; L1968-F2004 HydrophobicContact CD1-CD1 3.92Å; L1968-F2004 HydrophobicContact CD1-CE1 3.75Å; L1968-F2004 HydrophobicContact CG-CE1 4.45Å; L1968-I2005 HydrophobicContact CD1-CG1 4.37Å |
| 1969 | E | 88.4 | Confident | 88.9 | Confident | 106.8 Ų | 106.8 | 50.2 Ų | 50.2 | 50% | 0.499 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | 173.8 | -175.7 | 170.9 | -132.4 | 0 | 0 | 111 | Y1965 R1966 C1971 G1972 E1973 I2660 | Y1965-E1969 VanDerWaalsContact O-CB 3.27Å; Y1965-E1969 WeakPolarHBondContact O-CB 3.37Å; Y1965-E1969 PolarHBondContact O-N 3.13Å; R1966-E1969 PolarHBondContact O-N 3.26Å; E1969-C1971 VanDerWaalsContact C-N 3.32Å; E1969-C1971 PolarHBondContact O-N 3.13Å; E1969-G1972 CarbonylContact O-C 3.56Å; E1969-G1972 WeakPolarHBondContact O-CA 3.36Å; E1969-G1972 PolarHBondContact O-N 3.08Å; E1969-E1973 PolarHBondContact O-N 3.19Å; E1969-I2660 VanDerWaalsContact OE1-CD1 3.32Å; E1969-I2660 WeakPolarHBondContact OE1-CD1 3.21Å |
| 1970 | Q | 87.3 | Confident | 89.3 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -36 | 175.2 | -105 | -160.4 | -50.4 | 0 | 0 | 113.4 | A1930 F1931 S1934 R1966 L1968 G1972 E1973 H1974 | A1930-Q1970 PolarHBondContact O-NE2 3.13Å; F1931-Q1970 VanDerWaalsContact CA-OE1 3.24Å; F1931-Q1970 VanDerWaalsContact CD2-CD 3.43Å; F1931-Q1970 HydrophobicContact CD2-CG 4.12Å; S1934-Q1970 PolarHBondContact OG-NE2 3.28Å; S1934-Q1970 PolarHBondContact OG-OE1 3.12Å; R1966-Q1970 VanDerWaalsContact O-CB 3.29Å; R1966-Q1970 WeakPolarHBondContact O-CB 3.46Å; R1966-Q1970 VanDerWaalsContact O-CG 3.3Å; R1966-Q1970 WeakPolarHBondContact O-CG 3.46Å; R1966-Q1970 PolarHBondContact O-N 3.11Å; L1968-Q1970 VanDerWaalsContact C-N 3.34Å; L1968-Q1970 PolarHBondContact O-N 2.83Å; Q1970-G1972 VanDerWaalsContact C-N 3.3Å; Q1970-G1972 PolarHBondContact O-N 3.43Å; Q1970-E1973 PolarHBondContact O-N 3.35Å; Q1970-H1974 WeakPolarHBondContact O-CB 3.26Å; Q1970-H1974 PolarHBondContact O-N 3.26Å; Q1970-H1974 VanDerWaalsContact O-N 3.11Å |
| 1971 | C | 90.4 | Very high | 89.8 | Confident | 0.8 Ų | 0.8 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 172.3 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | A1967 L1968 E1969 H1974 S1975 T1978 L1979 | A1967-C1971 PolarHBondContact O-N 3.02Å; A1967-C1971 VanDerWaalsContact O-N 3.13Å; A1967-C1971 PolarHBondContact O-SG 3.17Å; L1968-C1971 WeakPolarHBondContact O-CB 3.37Å; L1968-C1971 PolarHBondContact O-N 2.99Å; E1969-C1971 VanDerWaalsContact C-N 3.32Å; E1969-C1971 PolarHBondContact O-N 3.13Å; C1971-H1974 PolarHBondContact O-N 3.01Å; C1971-S1975 PolarHBondContact O-N 2.95Å; C1971-S1975 VanDerWaalsContact O-N 3.15Å; C1971-T1978 HydrophobicContact CB-CG2 3.88Å; C1971-T1978 WeakPolarHBondContact O-CB 3.37Å; C1971-L1979 HydrophobicContact CB-CD1 4.45Å; C1971-L1979 PolarHBondContact O-N 2.96Å |
| 1972 | G | 89.4 | Confident | 90.1 | Very high | 34.8 Ų | 34.8 | 48.3 Ų | 48.3 | 36% | 0.359 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1968 E1969 Q1970 H1974 | L1968-G1972 PolarHBondContact O-N 3.1Å; E1969-G1972 CarbonylContact O-C 3.56Å; E1969-G1972 WeakPolarHBondContact O-CA 3.36Å; E1969-G1972 PolarHBondContact O-N 3.08Å; Q1970-G1972 VanDerWaalsContact C-N 3.3Å; Q1970-G1972 PolarHBondContact O-N 3.43Å; G1972-H1974 VanDerWaalsContact C-N 3.26Å; G1972-H1974 PolarHBondContact O-N 3.15Å |
| 1973 | E | 87.7 | Confident | 90.4 | Very high | 146.8 Ų | 146.8 | 42.3 Ų | 42.3 | 69% | 0.686 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.3 | -33.4 | 173.3 | -70.1 | -176.7 | 143 | 0 | 0 | 112 | E1969 Q1970 | E1969-E1973 PolarHBondContact O-N 3.19Å; Q1970-E1973 PolarHBondContact O-N 3.35Å |
| 1974 | H | 88.5 | Confident | 90.6 | Very high | 43.2 Ų | 43.2 | 43.3 Ų | 43.3 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.8 | -56.7 | -177.5 | -174.7 | -90.6 | 0 | 0 | 0 | 113.5 | R1939 D1943 A1946 Q1970 C1971 G1972 T1978 | R1939-H1974 PolarHBondContact NH2-CD2 3.06Å; R1939-H1974 PolarHBondContact NH2-CE1 3.32Å; R1939-H1974 PolarHBondContact NH2-NE2 3.13Å; D1943-H1974 IonicContact OD1-CD2 2.68Å; D1943-H1974 IonicContact OD1-CE1 2.89Å; D1943-H1974 PolarHBondContact OD1-CE1 2.87Å; D1943-H1974 IonicContact OD1-NE2 2.97Å; D1943-H1974 PolarHBondContact OD1-NE2 3.07Å; A1946-H1974 HydrophobicContact CB-CB 4.38Å; A1946-H1974 WeakPolarHBondContact CB-CD2 3.37Å; A1946-H1974 WeakPolarHBondContact CB-ND1 3.27Å; Q1970-H1974 WeakPolarHBondContact O-CB 3.26Å; Q1970-H1974 PolarHBondContact O-N 3.26Å; Q1970-H1974 VanDerWaalsContact O-N 3.11Å; C1971-H1974 PolarHBondContact O-N 3.01Å; G1972-H1974 VanDerWaalsContact C-N 3.26Å; G1972-H1974 PolarHBondContact O-N 3.15Å; H1974-T1978 HydrophobicContact CB-CG2 4.37Å; H1974-T1978 PolarHBondContact CD2-OG1 3.12Å; H1974-T1978 VanDerWaalsContact CD2-OG1 3.31Å; H1974-T1978 PolarHBondContact ND1-OG1 2.98Å; H1974-T1978 VanDerWaalsContact ND1-OG1 3.07Å |
| 1975 | S | 89.9 | Confident | 90.6 | Very high | 39.6 Ų | 39.6 | 45 Ų | 45 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | trans | -166.7 | 154.5 | 171.1 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | C1971 H1977 T1978 L1979 | C1971-S1975 PolarHBondContact O-N 2.95Å; C1971-S1975 VanDerWaalsContact O-N 3.15Å; S1975-H1977 VanDerWaalsContact C-N 3.28Å; S1975-H1977 PolarHBondContact O-N 3.18Å; S1975-H1977 PolarHBondContact OG-N 3.14Å; S1975-T1978 WeakPolarHBondContact O-CA 3.37Å; S1975-T1978 WeakPolarHBondContact O-CB 3.27Å; S1975-T1978 PolarHBondContact O-N 3.33Å; S1975-T1978 VanDerWaalsContact O-N 3.09Å; S1975-T1978 WeakPolarHBondContact OG-CB 3.46Å; S1975-T1978 PolarHBondContact OG-N 3.15Å; S1975-T1978 VanDerWaalsContact OG-N 3.12Å; S1975-T1978 PolarHBondContact OG-OG1 3.15Å; S1975-L1979 PolarHBondContact O-N 3.22Å | ||
| 1976 | S | 89.9 | Confident | 90.6 | Very high | 63.6 Ų | 63.6 | 43.5 Ų | 43.5 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.3 | -38.4 | 173.4 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | T1978 L1979 E1980 L2012 | S1976-T1978 PolarHBondContact O-N 2.84Å; S1976-L1979 WeakPolarHBondContact O-CB 3.38Å; S1976-L1979 PolarHBondContact O-N 3.36Å; S1976-E1980 WeakPolarHBondContact O-CB 3.28Å; S1976-E1980 PolarHBondContact O-N 3.04Å; S1976-L2012 WeakPolarHBondContact O-CD1 3.14Å; S1976-L2012 WeakPolarHBondContact O-CD2 3.36Å |
| 1977 | H | 90.4 | Very high | 90.5 | Very high | 102.2 Ų | 102.2 | 40.5 Ų | 40.5 | 47% | 0.473 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.7 | -34.3 | 175.6 | 176.7 | -107.8 | 0 | 0 | 0 | 113.1 | S1975 E1980 R1981 | S1975-H1977 VanDerWaalsContact C-N 3.28Å; S1975-H1977 PolarHBondContact O-N 3.18Å; S1975-H1977 PolarHBondContact OG-N 3.14Å; H1977-E1980 IonicContact CE1-OE2 3.87Å; H1977-E1980 IonicContact CG-OE2 3.56Å; H1977-E1980 IonicContact ND1-OE2 2.8Å; H1977-E1980 PolarHBondContact ND1-OE2 3.3Å; H1977-E1980 PolarHBondContact O-N 3.2Å; H1977-R1981 WeakPolarHBondContact O-CB 3.43Å; H1977-R1981 WeakPolarHBondContact O-CG 3.29Å; H1977-R1981 PolarHBondContact O-N 3.05Å; H1977-R1981 VanDerWaalsContact O-N 3.12Å |
| 1978 | T | 91 | Very high | 90.3 | Very high | 7.2 Ų | 7.2 | 48.2 Ų | 48.2 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 172.1 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | A1946 L1950 C1971 H1974 S1975 S1976 R1981 G1982 | A1946-T1978 HydrophobicContact CB-CG2 4Å; L1950-T1978 HydrophobicContact CD1-CG2 4.19Å; L1950-T1978 HydrophobicContact CD2-CG2 4.4Å; L1950-T1978 HydrophobicContact CG-CG2 4.31Å; C1971-T1978 HydrophobicContact CB-CG2 3.88Å; C1971-T1978 WeakPolarHBondContact O-CB 3.37Å; H1974-T1978 HydrophobicContact CB-CG2 4.37Å; H1974-T1978 PolarHBondContact CD2-OG1 3.12Å; H1974-T1978 VanDerWaalsContact CD2-OG1 3.31Å; H1974-T1978 PolarHBondContact ND1-OG1 2.98Å; H1974-T1978 VanDerWaalsContact ND1-OG1 3.07Å; S1975-T1978 WeakPolarHBondContact O-CA 3.37Å; S1975-T1978 WeakPolarHBondContact O-CB 3.27Å; S1975-T1978 PolarHBondContact O-N 3.33Å; S1975-T1978 VanDerWaalsContact O-N 3.09Å; S1975-T1978 WeakPolarHBondContact OG-CB 3.46Å; S1975-T1978 PolarHBondContact OG-N 3.15Å; S1975-T1978 VanDerWaalsContact OG-N 3.12Å; S1975-T1978 PolarHBondContact OG-OG1 3.15Å; S1976-T1978 PolarHBondContact O-N 2.84Å; T1978-R1981 PolarHBondContact O-N 3.04Å; T1978-G1982 PolarHBondContact O-N 3.3Å |
| 1979 | L | 93.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.3 | -178 | 59.6 | 0 | 0 | 0 | 112.3 | L1968 C1971 S1975 S1976 R1981 G1982 L1983 L2012 | L1968-L1979 HydrophobicContact CB-CD1 4.48Å; L1968-L1979 HydrophobicContact CD2-CD1 4.47Å; L1968-L1979 WeakPolarHBondContact O-CD1 3.44Å; C1971-L1979 HydrophobicContact CB-CD1 4.45Å; C1971-L1979 PolarHBondContact O-N 2.96Å; S1975-L1979 PolarHBondContact O-N 3.22Å; S1976-L1979 WeakPolarHBondContact O-CB 3.38Å; S1976-L1979 PolarHBondContact O-N 3.36Å; L1979-R1981 VanDerWaalsContact C-N 3.32Å; L1979-R1981 PolarHBondContact O-N 3.07Å; L1979-G1982 CarbonylContact O-C 3.53Å; L1979-G1982 WeakPolarHBondContact O-CA 3.39Å; L1979-G1982 PolarHBondContact O-N 3.12Å; L1979-G1982 VanDerWaalsContact O-N 3.12Å; L1979-L1983 HydrophobicContact CD1-CD1 4.3Å; L1979-L1983 HydrophobicContact CD1-CD2 4.42Å; L1979-L1983 HydrophobicContact CD1-CG 4.13Å; L1979-L1983 HydrophobicContact CG-CD1 4.12Å; L1979-L1983 HydrophobicContact CG-CG 4.39Å; L1979-L1983 VanDerWaalsContact O-CG 3.32Å; L1979-L1983 WeakPolarHBondContact O-CG 3.38Å; L1979-L1983 PolarHBondContact O-N 3.17Å; L1979-L2012 HydrophobicContact CB-CD2 4.49Å; L1979-L2012 HydrophobicContact CD2-CD1 4.35Å; L1979-L2012 HydrophobicContact CD2-CD2 4.1Å; L1979-L2012 HydrophobicContact CD2-CG 4.06Å; L1979-L2012 HydrophobicContact CG-CD1 4.24Å; L1979-L2012 HydrophobicContact CG-CG 4.44Å |
| 1980 | E | 93.5 | Very high | 89.6 | Confident | 46.2 Ų | 46.2 | 44.2 Ų | 44.2 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.9 | -49 | 174.6 | 178.8 | 179.9 | -160 | 0 | 0 | 111.5 | S1976 H1977 G1982 L1983 L1984 W2009 L2012 K2529 Y2533 | S1976-E1980 WeakPolarHBondContact O-CB 3.28Å; S1976-E1980 PolarHBondContact O-N 3.04Å; H1977-E1980 IonicContact CE1-OE2 3.87Å; H1977-E1980 IonicContact CG-OE2 3.56Å; H1977-E1980 IonicContact ND1-OE2 2.8Å; H1977-E1980 PolarHBondContact ND1-OE2 3.3Å; H1977-E1980 PolarHBondContact O-N 3.2Å; E1980-G1982 VanDerWaalsContact C-N 3.29Å; E1980-G1982 PolarHBondContact O-N 2.75Å; E1980-L1983 PolarHBondContact O-N 3.47Å; E1980-L1984 HydrophobicContact CG-CD1 4.18Å; E1980-L1984 WeakPolarHBondContact O-CB 3.36Å; E1980-L1984 VanDerWaalsContact O-CG 3.28Å; E1980-L1984 WeakPolarHBondContact O-CG 3.28Å; E1980-L1984 PolarHBondContact O-N 3.27Å; E1980-L1984 VanDerWaalsContact O-N 3.12Å; E1980-W2009 HydrophobicContact CG-CH2 4.12Å; E1980-W2009 HydrophobicContact CG-CZ3 4.16Å; E1980-L2012 HydrophobicContact CB-CD1 4.15Å; E1980-K2529 VanDerWaalsContact OE1-CE 3.32Å; E1980-K2529 WeakPolarHBondContact OE1-CE 3.34Å; E1980-K2529 IonicContact OE1-NZ 3.13Å; E1980-K2529 PolarHBondContact OE1-NZ 3.06Å; E1980-K2529 WeakPolarHBondContact OE2-CE 3.15Å; E1980-K2529 IonicContact OE2-NZ 2.76Å; E1980-K2529 PolarHBondContact OE2-NZ 3.09Å; E1980-Y2533 HydrophobicContact CG-CE1 4.31Å; E1980-Y2533 VanDerWaalsContact OE1-CE1 3.31Å; E1980-Y2533 WeakPolarHBondContact OE1-CE1 3.42Å; E1980-Y2533 PolarHBondContact OE1-OH 3.25Å; E1980-Y2533 PolarHBondContact OE2-OH 3.28Å |
| 1981 | R | 93.5 | Very high | 89.1 | Confident | 77.2 Ų | 77.2 | 50.9 Ų | 50.9 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 174.9 | -73.9 | 175.8 | 60.8 | -148.6 | -4.6 | 112.4 | E1947 L1950 H1977 T1978 L1979 L1984 C1985 S2148 | E1947-R1981 VanDerWaalsContact CD-NH2 3.29Å; E1947-R1981 IonicContact OE1-CZ 3.52Å; E1947-R1981 IonicContact OE1-NH1 3.03Å; E1947-R1981 PolarHBondContact OE1-NH1 3.1Å; E1947-R1981 IonicContact OE1-NH2 3.09Å; E1947-R1981 PolarHBondContact OE1-NH2 3.02Å; E1947-R1981 IonicContact OE2-CZ 3.26Å; E1947-R1981 IonicContact OE2-NH1 3.28Å; E1947-R1981 PolarHBondContact OE2-NH1 2.95Å; E1947-R1981 IonicContact OE2-NH2 2.99Å; E1947-R1981 PolarHBondContact OE2-NH2 3.19Å; L1950-R1981 HydrophobicContact CD1-CB 4.12Å; L1950-R1981 VanDerWaalsContact CD1-CZ 3.44Å; L1950-R1981 VanDerWaalsContact CD1-NH2 3.34Å; L1950-R1981 HydrophobicContact CD2-CB 4.16Å; H1977-R1981 WeakPolarHBondContact O-CB 3.43Å; H1977-R1981 WeakPolarHBondContact O-CG 3.29Å; H1977-R1981 PolarHBondContact O-N 3.05Å; H1977-R1981 VanDerWaalsContact O-N 3.12Å; T1978-R1981 PolarHBondContact O-N 3.04Å; L1979-R1981 VanDerWaalsContact C-N 3.32Å; L1979-R1981 PolarHBondContact O-N 3.07Å; R1981-L1984 PolarHBondContact O-N 3.29Å; R1981-C1985 WeakPolarHBondContact O-CB 3.41Å; R1981-C1985 PolarHBondContact O-N 3.09Å; R1981-C1985 PolarHBondContact O-SG 3.16Å; R1981-C1985 VanDerWaalsContact O-SG 3.38Å; R1981-S2148 PolarHBondContact NH1-OG 3.35Å |
| 1982 | G | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1950 T1978 L1979 E1980 C1985 V1986 | L1950-G1982 VanDerWaalsContact CD2-N 3.34Å; T1978-G1982 PolarHBondContact O-N 3.3Å; L1979-G1982 CarbonylContact O-C 3.53Å; L1979-G1982 WeakPolarHBondContact O-CA 3.39Å; L1979-G1982 PolarHBondContact O-N 3.12Å; L1979-G1982 VanDerWaalsContact O-N 3.12Å; E1980-G1982 VanDerWaalsContact C-N 3.29Å; E1980-G1982 PolarHBondContact O-N 2.75Å; G1982-C1985 WeakPolarHBondContact O-CB 3.35Å; G1982-C1985 PolarHBondContact O-N 3.1Å; G1982-V1986 WeakPolarHBondContact O-CG2 3.31Å; G1982-V1986 PolarHBondContact O-N 3.13Å; G1982-V1986 VanDerWaalsContact O-N 3.08Å |
| 1983 | L | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177 | -62.9 | 170.3 | 0 | 0 | 0 | 111.3 | L1968 L1979 E1980 C1985 V1986 E1987 I2005 W2009 L2012 | L1968-L1983 HydrophobicContact CD1-CD2 4.24Å; L1968-L1983 HydrophobicContact CD2-CD2 3.98Å; L1968-L1983 HydrophobicContact CD2-CG 4.47Å; L1979-L1983 HydrophobicContact CD1-CD1 4.3Å; L1979-L1983 HydrophobicContact CD1-CD2 4.42Å; L1979-L1983 HydrophobicContact CD1-CG 4.13Å; L1979-L1983 HydrophobicContact CG-CD1 4.12Å; L1979-L1983 HydrophobicContact CG-CG 4.39Å; L1979-L1983 VanDerWaalsContact O-CG 3.32Å; L1979-L1983 WeakPolarHBondContact O-CG 3.38Å; L1979-L1983 PolarHBondContact O-N 3.17Å; E1980-L1983 PolarHBondContact O-N 3.47Å; L1983-C1985 VanDerWaalsContact C-N 3.32Å; L1983-C1985 PolarHBondContact O-N 3.17Å; L1983-V1986 PolarHBondContact O-N 3.12Å; L1983-V1986 VanDerWaalsContact O-N 3.16Å; L1983-E1987 WeakPolarHBondContact O-CB 3.4Å; L1983-E1987 WeakPolarHBondContact O-CG 3.3Å; L1983-E1987 PolarHBondContact O-N 3.17Å; L1983-I2005 HydrophobicContact CD2-CB 4.41Å; L1983-I2005 HydrophobicContact CD2-CG1 4.31Å; L1983-I2005 HydrophobicContact CD2-CG2 4.13Å; L1983-W2009 HydrophobicContact CB-CD2 4.4Å; L1983-W2009 HydrophobicContact CB-CH2 4.03Å; L1983-W2009 HydrophobicContact CB-CZ2 3.6Å; L1983-W2009 VanDerWaalsContact CB-CZ2 3.48Å; L1983-W2009 HydrophobicContact CD1-CD2 3.76Å; L1983-W2009 HydrophobicContact CD1-CE3 4.05Å; L1983-W2009 HydrophobicContact CD1-CG 4.09Å; L1983-W2009 HydrophobicContact CD1-CH2 4.39Å; L1983-W2009 HydrophobicContact CD1-CZ2 4.23Å; L1983-W2009 HydrophobicContact CD1-CZ3 4.25Å; L1983-L2012 HydrophobicContact CD1-CD1 3.77Å |
| 1984 | L | 91.9 | Very high | 86 | Confident | 63.8 Ų | 63.8 | 54.5 Ų | 54.5 | 33% | 0.334 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 175.1 | -70.3 | 169.4 | 0 | 0 | 0 | 112.8 | E1980 R1981 R1988 W2009 | E1980-L1984 HydrophobicContact CG-CD1 4.18Å; E1980-L1984 WeakPolarHBondContact O-CB 3.36Å; E1980-L1984 VanDerWaalsContact O-CG 3.28Å; E1980-L1984 WeakPolarHBondContact O-CG 3.28Å; E1980-L1984 PolarHBondContact O-N 3.27Å; E1980-L1984 VanDerWaalsContact O-N 3.12Å; R1981-L1984 PolarHBondContact O-N 3.29Å; L1984-R1988 VanDerWaalsContact O-CB 3.26Å; L1984-R1988 WeakPolarHBondContact O-CB 3.35Å; L1984-R1988 WeakPolarHBondContact O-CG 3.31Å; L1984-R1988 PolarHBondContact O-N 3.17Å; L1984-W2009 HydrophobicContact CD1-CH2 4.47Å; L1984-W2009 HydrophobicContact CD2-CH2 4.09Å; L1984-W2009 HydrophobicContact CD2-CZ2 3.99Å; L1984-W2009 HydrophobicContact CG-CH2 3.91Å; L1984-W2009 HydrophobicContact CG-CZ2 4.03Å |
| 1985 | C | 90.3 | Very high | 85 | Confident | 38.2 Ų | 38.2 | 58.7 Ų | 58.7 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 173.1 | -93.2 | 0 | 0 | 0 | 0 | 111.7 | L1953 S1954 R1981 G1982 L1983 E1987 R1988 S1989 | L1953-C1985 HydrophobicContact CB-CB 4.31Å; S1954-C1985 VanDerWaalsContact CA-SG 3.54Å; S1954-C1985 PolarHBondContact N-SG 3.45Å; R1981-C1985 WeakPolarHBondContact O-CB 3.41Å; R1981-C1985 PolarHBondContact O-N 3.09Å; R1981-C1985 PolarHBondContact O-SG 3.16Å; R1981-C1985 VanDerWaalsContact O-SG 3.38Å; G1982-C1985 WeakPolarHBondContact O-CB 3.35Å; G1982-C1985 PolarHBondContact O-N 3.1Å; L1983-C1985 VanDerWaalsContact C-N 3.32Å; L1983-C1985 PolarHBondContact O-N 3.17Å; C1985-E1987 PolarHBondContact O-N 3.38Å; C1985-R1988 PolarHBondContact O-N 3.48Å; C1985-S1989 VanDerWaalsContact O-CB 3.28Å; C1985-S1989 WeakPolarHBondContact O-CB 3.37Å; C1985-S1989 PolarHBondContact O-N 3.27Å; C1985-S1989 PolarHBondContact O-OG 3.29Å; C1985-S1989 VanDerWaalsContact O-OG 3.11Å |
| 1986 | V | 89.9 | Confident | 84.1 | Confident | 0.4 Ų | 0.4 | 63.4 Ų | 63.4 | 0% | 0.002 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | L1953 C1956 L1964 L1968 G1982 L1983 R1988 S1989 A1990 I1997 I2005 | L1953-V1986 HydrophobicContact CB-CG2 4.13Å; L1953-V1986 HydrophobicContact CD1-CG2 4.41Å; L1953-V1986 HydrophobicContact CD2-CG2 3.81Å; L1953-V1986 HydrophobicContact CG-CG2 4.37Å; C1956-V1986 HydrophobicContact CB-CG1 4.11Å; C1956-V1986 HydrophobicContact CB-CG2 4.19Å; L1964-V1986 HydrophobicContact CD1-CG1 4.35Å; L1964-V1986 HydrophobicContact CD1-CG2 4.11Å; L1968-V1986 HydrophobicContact CD2-CG2 4.26Å; G1982-V1986 WeakPolarHBondContact O-CG2 3.31Å; G1982-V1986 PolarHBondContact O-N 3.13Å; G1982-V1986 VanDerWaalsContact O-N 3.08Å; L1983-V1986 PolarHBondContact O-N 3.12Å; L1983-V1986 VanDerWaalsContact O-N 3.16Å; V1986-R1988 PolarHBondContact O-N 3.13Å; V1986-S1989 WeakPolarHBondContact CA-OG 3.46Å; V1986-S1989 PolarHBondContact O-N 3.18Å; V1986-S1989 PolarHBondContact O-OG 3.14Å; V1986-S1989 VanDerWaalsContact O-OG 3.13Å; V1986-A1990 VanDerWaalsContact O-CB 3.31Å; V1986-A1990 WeakPolarHBondContact O-CB 3.35Å; V1986-A1990 PolarHBondContact O-N 3.08Å; V1986-I1997 HydrophobicContact CG1-CD1 4.33Å; V1986-I2005 HydrophobicContact CB-CD1 4.45Å; V1986-I2005 HydrophobicContact CG1-CD1 3.62Å; V1986-I2005 HydrophobicContact CG1-CG1 4.49Å |
| 1987 | E | 87.6 | Confident | 83.5 | Confident | 44.2 Ų | 44.2 | 61.1 Ų | 61.1 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 175.6 | -124.4 | -169.9 | 156.9 | 0 | 0 | 111.3 | L1983 C1985 S1989 A1990 Y1991 W2009 R2536 | L1983-E1987 WeakPolarHBondContact O-CB 3.4Å; L1983-E1987 WeakPolarHBondContact O-CG 3.3Å; L1983-E1987 PolarHBondContact O-N 3.17Å; C1985-E1987 PolarHBondContact O-N 3.38Å; E1987-S1989 VanDerWaalsContact C-N 3.27Å; E1987-S1989 PolarHBondContact O-N 3.22Å; E1987-A1990 VanDerWaalsContact O-CB 3.31Å; E1987-A1990 WeakPolarHBondContact O-CB 3.36Å; E1987-A1990 PolarHBondContact O-N 3.02Å; E1987-Y1991 HydrophobicContact CB-CE2 4.25Å; E1987-Y1991 HydrophobicContact CG-CD2 4.47Å; E1987-Y1991 HydrophobicContact CG-CE2 3.66Å; E1987-Y1991 WeakPolarHBondContact O-CD2 3.3Å; E1987-Y1991 WeakPolarHBondContact O-CE2 3.38Å; E1987-Y1991 PolarHBondContact O-N 3.13Å; E1987-Y1991 VanDerWaalsContact OE1-CE2 3.24Å; E1987-Y1991 WeakPolarHBondContact OE1-CE2 3.34Å; E1987-Y1991 PolarHBondContact OE1-OH 3.45Å; E1987-Y1991 VanDerWaalsContact OE1-OH 3.06Å; E1987-W2009 PolarHBondContact OE1-NE1 3.19Å; E1987-R2536 IonicContact OE2-NE 2.81Å |
| 1988 | R | 86.6 | Confident | 83.2 | Confident | 162.6 Ų | 162.6 | 60.7 Ų | 60.7 | 61% | 0.614 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.5 | -37.5 | 178.8 | -161 | 173 | -174.8 | 168.7 | 2.5 | 112.8 | T1637 L1984 C1985 V1986 A1990 Y1991 Q1992 | T1637-R1988 PolarHBondContact O-NH2 2.99Å; L1984-R1988 VanDerWaalsContact O-CB 3.26Å; L1984-R1988 WeakPolarHBondContact O-CB 3.35Å; L1984-R1988 WeakPolarHBondContact O-CG 3.31Å; L1984-R1988 PolarHBondContact O-N 3.17Å; C1985-R1988 PolarHBondContact O-N 3.48Å; V1986-R1988 PolarHBondContact O-N 3.13Å; R1988-A1990 VanDerWaalsContact C-N 3.33Å; R1988-Y1991 PolarHBondContact O-N 2.97Å; R1988-Q1992 VanDerWaalsContact O-CG 3.29Å; R1988-Q1992 WeakPolarHBondContact O-CG 3.37Å; R1988-Q1992 PolarHBondContact O-N 2.84Å; R1988-Q1992 PolarHBondContact O-NE2 3.41Å |
| 1989 | S | 83.5 | Confident | 82.8 | Confident | 12.6 Ų | 12.6 | 63 Ų | 63 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.7 | -32.2 | 178.4 | -22.5 | 0 | 0 | 0 | 0 | 112.4 | L1953 S1954 C1956 C1985 V1986 E1987 Y1991 Q1992 S1993 | L1953-S1989 PolarHBondContact O-OG 3.04Å; S1954-S1989 VanDerWaalsContact C-OG 3.28Å; S1954-S1989 WeakPolarHBondContact CA-OG 3.42Å; S1954-S1989 VanDerWaalsContact O-CB 3.24Å; S1954-S1989 WeakPolarHBondContact O-CB 3.32Å; S1954-S1989 PolarHBondContact O-OG 2.9Å; S1954-S1989 VanDerWaalsContact O-OG 3.06Å; C1956-S1989 VanDerWaalsContact SG-CB 3.52Å; C1956-S1989 WeakPolarHBondContact SG-CB 3.44Å; C1956-S1989 PolarHBondContact SG-OG 3.29Å; C1985-S1989 VanDerWaalsContact O-CB 3.28Å; C1985-S1989 WeakPolarHBondContact O-CB 3.37Å; C1985-S1989 PolarHBondContact O-N 3.27Å; C1985-S1989 PolarHBondContact O-OG 3.29Å; C1985-S1989 VanDerWaalsContact O-OG 3.11Å; V1986-S1989 WeakPolarHBondContact CA-OG 3.46Å; V1986-S1989 PolarHBondContact O-N 3.18Å; V1986-S1989 PolarHBondContact O-OG 3.14Å; V1986-S1989 VanDerWaalsContact O-OG 3.13Å; E1987-S1989 VanDerWaalsContact C-N 3.27Å; E1987-S1989 PolarHBondContact O-N 3.22Å; S1989-Y1991 VanDerWaalsContact C-N 3.31Å; S1989-Y1991 PolarHBondContact O-N 3.07Å; S1989-Q1992 PolarHBondContact O-N 3.04Å; S1989-Q1992 VanDerWaalsContact O-N 3.08Å; S1989-S1993 WeakPolarHBondContact O-CB 3.21Å; S1989-S1993 PolarHBondContact O-N 3.08Å; S1989-S1993 VanDerWaalsContact O-N 3.15Å; S1989-S1993 PolarHBondContact O-OG 3.03Å; S1989-S1993 VanDerWaalsContact O-OG 3.14Å |
| 1990 | A | 81.8 | Confident | 82.4 | Confident | 12.4 Ų | 12.4 | 66.7 Ų | 66.7 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1986 E1987 R1988 Q1992 S1993 I1997 | V1986-A1990 VanDerWaalsContact O-CB 3.31Å; V1986-A1990 WeakPolarHBondContact O-CB 3.35Å; V1986-A1990 PolarHBondContact O-N 3.08Å; E1987-A1990 VanDerWaalsContact O-CB 3.31Å; E1987-A1990 WeakPolarHBondContact O-CB 3.36Å; E1987-A1990 PolarHBondContact O-N 3.02Å; R1988-A1990 VanDerWaalsContact C-N 3.33Å; A1990-Q1992 VanDerWaalsContact C-N 3.3Å; A1990-Q1992 PolarHBondContact O-N 3.07Å; A1990-S1993 PolarHBondContact O-N 3.21Å; A1990-S1993 VanDerWaalsContact O-N 3.07Å; A1990-S1993 PolarHBondContact O-OG 3.27Å; A1990-S1993 VanDerWaalsContact O-OG 3.08Å; A1990-I1997 HydrophobicContact CB-CD1 3.5Å; A1990-I1997 VanDerWaalsContact CB-CD1 3.44Å; A1990-I1997 HydrophobicContact CB-CG1 4.3Å |
| 1991 | Y | 75.4 | Confident | 82.2 | Confident | 153.2 Ų | 153.2 | 64.9 Ų | 64.9 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69.6 | -24.4 | 178.5 | -60.1 | -58.2 | 0 | 0 | 0 | 114.2 | E1987 R1988 S1989 F2539 | E1987-Y1991 HydrophobicContact CB-CE2 4.25Å; E1987-Y1991 HydrophobicContact CG-CD2 4.47Å; E1987-Y1991 HydrophobicContact CG-CE2 3.66Å; E1987-Y1991 WeakPolarHBondContact O-CD2 3.3Å; E1987-Y1991 WeakPolarHBondContact O-CE2 3.38Å; E1987-Y1991 PolarHBondContact O-N 3.13Å; E1987-Y1991 VanDerWaalsContact OE1-CE2 3.24Å; E1987-Y1991 WeakPolarHBondContact OE1-CE2 3.34Å; E1987-Y1991 PolarHBondContact OE1-OH 3.45Å; E1987-Y1991 VanDerWaalsContact OE1-OH 3.06Å; R1988-Y1991 PolarHBondContact O-N 2.97Å; S1989-Y1991 VanDerWaalsContact C-N 3.31Å; S1989-Y1991 PolarHBondContact O-N 3.07Å; Y1991-F2539 WeakPolarHBondContact OH-CE1 3.38Å |
| 1992 | Q | 75.6 | Confident | 82 | Confident | 123.4 Ų | 123.4 | 63.3 Ų | 63.3 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -88.6 | -19.2 | -179.2 | -73 | 175.8 | 41.5 | 0 | 0 | 113.1 | L1634 R1988 S1989 A1990 | L1634-Q1992 HydrophobicContact CD2-CB 4.35Å; L1634-Q1992 HydrophobicContact CD2-CG 4.46Å; R1988-Q1992 VanDerWaalsContact O-CG 3.29Å; R1988-Q1992 WeakPolarHBondContact O-CG 3.37Å; R1988-Q1992 PolarHBondContact O-N 2.84Å; R1988-Q1992 PolarHBondContact O-NE2 3.41Å; S1989-Q1992 PolarHBondContact O-N 3.04Å; S1989-Q1992 VanDerWaalsContact O-N 3.08Å; A1990-Q1992 VanDerWaalsContact C-N 3.3Å; A1990-Q1992 PolarHBondContact O-N 3.07Å |
| 1993 | S | 69.5 | Low | 82 | Confident | 30.2 Ų | 30.2 | 65.8 Ų | 65.8 | 21% | 0.211 | 33% | 0.328 | C | S | . | . | trans | -89.3 | 136.5 | -179.9 | 59 | 0 | 0 | 0 | 0 | 111.8 | T1957 S1989 A1990 H1995 | T1957-S1993 VanDerWaalsContact CG2-OG 3.27Å; T1957-S1993 WeakPolarHBondContact CG2-OG 3.46Å; S1989-S1993 WeakPolarHBondContact O-CB 3.21Å; S1989-S1993 PolarHBondContact O-N 3.08Å; S1989-S1993 VanDerWaalsContact O-N 3.15Å; S1989-S1993 PolarHBondContact O-OG 3.03Å; S1989-S1993 VanDerWaalsContact O-OG 3.14Å; A1990-S1993 PolarHBondContact O-N 3.21Å; A1990-S1993 VanDerWaalsContact O-N 3.07Å; A1990-S1993 PolarHBondContact O-OG 3.27Å; A1990-S1993 VanDerWaalsContact O-OG 3.08Å; S1993-H1995 PolarHBondContact O-N 3.16Å; S1993-H1995 PolarHBondContact OG-O 3.22Å | ||
| 1994 | S | 58.8 | Low | 81.9 | Confident | 104.6 Ų | 104.6 | 68.2 Ų | 68.2 | 73% | 0.731 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -76.7 | 6.4 | 168.6 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1995 | H | 66.7 | Low | 81.9 | Confident | 130.6 Ų | 130.6 | 65.4 Ų | 65.4 | 61% | 0.605 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -115.3 | 116.8 | -176.1 | -69.8 | -11.1 | 0 | 0 | 0 | 109.5 | T1957 S1993 I1997 | T1957-H1995 HydrophobicContact CG2-CB 4.36Å; S1993-H1995 PolarHBondContact O-N 3.16Å; S1993-H1995 PolarHBondContact OG-O 3.22Å; H1995-I1997 PolarHBondContact O-N 3.11Å |
| 1996 | D | 70.2 | Confident | 82 | Confident | 139.6 Ų | 139.6 | 64.3 Ų | 64.3 | 75% | 0.747 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -74 | 126.6 | -169.7 | -108.8 | -4.6 | 0 | 0 | 0 | 111.9 | K2547 | D1996-K2547 IonicContact OD1-NZ 3.44Å; D1996-K2547 PolarHBondContact OD1-NZ 3.26Å; D1996-K2547 IonicContact OD2-NZ 3.81Å; D1996-K2547 PolarHBondContact OD2-NZ 3.09Å |
| 1997 | I | 79.3 | Confident | 82.2 | Confident | 14.6 Ų | 14.6 | 69.3 Ų | 69.3 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 143.2 | 175.2 | -60.8 | -178.2 | 0 | 0 | 0 | 109.9 | C1956 T1957 V1986 A1990 H1995 I2001 Y2002 K2547 | C1956-I1997 VanDerWaalsContact SG-CD1 3.54Å; C1956-I1997 WeakPolarHBondContact SG-CD1 3.28Å; T1957-I1997 HydrophobicContact CG2-CD1 4.44Å; T1957-I1997 HydrophobicContact CG2-CG1 4.12Å; V1986-I1997 HydrophobicContact CG1-CD1 4.33Å; A1990-I1997 HydrophobicContact CB-CD1 3.5Å; A1990-I1997 VanDerWaalsContact CB-CD1 3.44Å; A1990-I1997 HydrophobicContact CB-CG1 4.3Å; H1995-I1997 PolarHBondContact O-N 3.11Å; I1997-I2001 HydrophobicContact CG2-CB 3.64Å; I1997-I2001 HydrophobicContact CG2-CD1 3.86Å; I1997-I2001 HydrophobicContact CG2-CG1 4.36Å; I1997-I2001 HydrophobicContact CG2-CG2 3.56Å; I1997-I2001 VanDerWaalsContact CG2-CG2 3.46Å; I1997-Y2002 HydrophobicContact CB-CD2 4.36Å; I1997-Y2002 HydrophobicContact CB-CE2 3.69Å; I1997-Y2002 HydrophobicContact CG2-CD2 4.01Å; I1997-Y2002 HydrophobicContact CG2-CE2 3.76Å; I1997-Y2002 WeakPolarHBondContact O-CE2 3.36Å; I1997-K2547 PolarHBondContact O-NZ 3.16Å |
| 1998 | L | 82.5 | Confident | 82.4 | Confident | 94.6 Ų | 94.6 | 67.9 Ų | 67.9 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.2 | 179.7 | -68.8 | 120.3 | 0 | 0 | 0 | 112.1 | P1961 E2000 I2001 Y2002 | P1961-L1998 HydrophobicContact CG-CD1 3.97Å; P1961-L1998 HydrophobicContact CG-CD2 4.05Å; L1998-E2000 VanDerWaalsContact C-N 3.26Å; L1998-E2000 PolarHBondContact O-N 3.16Å; L1998-I2001 HydrophobicContact CB-CD1 4.22Å; L1998-I2001 HydrophobicContact CB-CG1 4.43Å; L1998-I2001 HydrophobicContact CD1-CD1 4.26Å; L1998-I2001 WeakPolarHBondContact O-CB 3.28Å; L1998-I2001 PolarHBondContact O-N 3.27Å; L1998-I2001 VanDerWaalsContact O-N 3.12Å; L1998-Y2002 WeakPolarHBondContact O-CD2 3.37Å; L1998-Y2002 PolarHBondContact O-N 3.13Å |
| 1999 | P | 83.6 | Confident | 82.8 | Confident | 53.8 Ų | 53.8 | 60.8 Ų | 60.8 | 35% | 0.349 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.1 | -34.9 | 179.4 | -27.5 | 34.5 | 0 | 0 | 0 | 114.8 | I2001 Y2002 F2003 A2544 K2547 I2548 | P1999-I2001 VanDerWaalsContact C-N 3.28Å; P1999-I2001 PolarHBondContact O-N 3.01Å; P1999-Y2002 WeakPolarHBondContact O-CB 3.4Å; P1999-Y2002 PolarHBondContact O-N 3.04Å; P1999-Y2002 VanDerWaalsContact O-N 3.12Å; P1999-F2003 HydrophobicContact CB-CE2 4.39Å; P1999-F2003 WeakPolarHBondContact O-CD2 3.36Å; P1999-F2003 PolarHBondContact O-N 3.23Å; P1999-A2544 HydrophobicContact CB-CB 4.41Å; P1999-A2544 WeakPolarHBondContact O-CB 3.39Å; P1999-K2547 HydrophobicContact CG-CB 3.88Å; P1999-I2548 HydrophobicContact CB-CD1 4Å; P1999-I2548 HydrophobicContact CB-CG1 3.76Å; P1999-I2548 HydrophobicContact CG-CG1 3.94Å |
| 2000 | E | 85.8 | Confident | 83.3 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 178.4 | -143.8 | 148.3 | 145.9 | 0 | 0 | 112.2 | Y1965 L1998 Y2002 F2003 F2004 F2663 | Y1965-E2000 WeakPolarHBondContact CE2-OE1 3.29Å; Y1965-E2000 WeakPolarHBondContact OH-CB 3.4Å; Y1965-E2000 VanDerWaalsContact OH-CG 3.25Å; Y1965-E2000 WeakPolarHBondContact OH-CG 3.37Å; Y1965-E2000 PolarHBondContact OH-OE1 2.91Å; L1998-E2000 VanDerWaalsContact C-N 3.26Å; L1998-E2000 PolarHBondContact O-N 3.16Å; E2000-Y2002 VanDerWaalsContact C-N 3.35Å; E2000-F2003 PolarHBondContact O-N 3.16Å; E2000-F2004 PolarHBondContact O-N 3.19Å; E2000-F2663 HydrophobicContact CG-CE1 3.97Å; E2000-F2663 HydrophobicContact CG-CZ 4.5Å |
| 2001 | I | 87.7 | Confident | 83.9 | Confident | 9.2 Ų | 9.2 | 67.3 Ų | 67.3 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.8 | -39.7 | 176.4 | -65.3 | 165.8 | 0 | 0 | 0 | 110.3 | P1961 L1964 Y1965 I1997 L1998 P1999 F2003 F2004 I2005 | P1961-I2001 HydrophobicContact CB-CD1 4.1Å; P1961-I2001 HydrophobicContact CB-CG1 4.45Å; P1961-I2001 HydrophobicContact CG-CD1 4.18Å; L1964-I2001 HydrophobicContact CD1-CD1 4.38Å; L1964-I2001 HydrophobicContact CD1-CG2 4.12Å; L1964-I2001 HydrophobicContact CD2-CB 4.44Å; L1964-I2001 HydrophobicContact CD2-CD1 3.88Å; L1964-I2001 HydrophobicContact CD2-CG1 4.26Å; L1964-I2001 HydrophobicContact CD2-CG2 3.54Å; L1964-I2001 VanDerWaalsContact CD2-CG2 3.43Å; Y1965-I2001 HydrophobicContact CE1-CB 4.45Å; Y1965-I2001 HydrophobicContact CE1-CG1 3.94Å; I1997-I2001 HydrophobicContact CG2-CB 3.64Å; I1997-I2001 HydrophobicContact CG2-CD1 3.86Å; I1997-I2001 HydrophobicContact CG2-CG1 4.36Å; I1997-I2001 HydrophobicContact CG2-CG2 3.56Å; I1997-I2001 VanDerWaalsContact CG2-CG2 3.46Å; L1998-I2001 HydrophobicContact CB-CD1 4.22Å; L1998-I2001 HydrophobicContact CB-CG1 4.43Å; L1998-I2001 HydrophobicContact CD1-CD1 4.26Å; L1998-I2001 WeakPolarHBondContact O-CB 3.28Å; L1998-I2001 PolarHBondContact O-N 3.27Å; L1998-I2001 VanDerWaalsContact O-N 3.12Å; P1999-I2001 VanDerWaalsContact C-N 3.28Å; P1999-I2001 PolarHBondContact O-N 3.01Å; I2001-F2003 VanDerWaalsContact C-N 3.32Å; I2001-F2003 PolarHBondContact O-N 3.1Å; I2001-F2004 WeakPolarHBondContact O-CB 3.35Å; I2001-F2004 PolarHBondContact O-N 3.25Å; I2001-F2004 VanDerWaalsContact O-N 3.11Å; I2001-I2005 HydrophobicContact CG2-CD1 3.82Å; I2001-I2005 HydrophobicContact CG2-CG1 4.38Å; I2001-I2005 VanDerWaalsContact O-CG1 3.28Å; I2001-I2005 WeakPolarHBondContact O-CG1 3.39Å; I2001-I2005 PolarHBondContact O-N 2.98Å |
| 2002 | Y | 90.3 | Very high | 84.7 | Confident | 43.6 Ų | 43.6 | 60.4 Ų | 60.4 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 174.3 | -78.4 | -80.2 | 0 | 0 | 0 | 112.4 | I1997 L1998 P1999 E2000 F2004 I2005 A2006 C2543 K2547 | I1997-Y2002 HydrophobicContact CB-CD2 4.36Å; I1997-Y2002 HydrophobicContact CB-CE2 3.69Å; I1997-Y2002 HydrophobicContact CG2-CD2 4.01Å; I1997-Y2002 HydrophobicContact CG2-CE2 3.76Å; I1997-Y2002 WeakPolarHBondContact O-CE2 3.36Å; L1998-Y2002 WeakPolarHBondContact O-CD2 3.37Å; L1998-Y2002 PolarHBondContact O-N 3.13Å; P1999-Y2002 WeakPolarHBondContact O-CB 3.4Å; P1999-Y2002 PolarHBondContact O-N 3.04Å; P1999-Y2002 VanDerWaalsContact O-N 3.12Å; E2000-Y2002 VanDerWaalsContact C-N 3.35Å; Y2002-F2004 VanDerWaalsContact C-N 3.32Å; Y2002-F2004 PolarHBondContact O-N 2.94Å; Y2002-I2005 PolarHBondContact O-N 3.04Å; Y2002-A2006 VanDerWaalsContact O-CB 3.29Å; Y2002-A2006 WeakPolarHBondContact O-CB 3.38Å; Y2002-A2006 PolarHBondContact O-N 2.96Å; Y2002-C2543 HydrophobicContact CD1-CB 3.91Å; Y2002-C2543 HydrophobicContact CE1-CB 4.04Å; Y2002-C2543 HydrophobicContact CG-CB 4.47Å; Y2002-K2547 HydrophobicContact CD2-CD 3.92Å; Y2002-K2547 HydrophobicContact CE2-CD 3.69Å; Y2002-K2547 VanDerWaalsContact CE2-CE 3.43Å |
| 2003 | F | 91.5 | Very high | 85.6 | Confident | 51.4 Ų | 51.4 | 57.4 Ų | 57.4 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 172.6 | -73.7 | -55.6 | 0 | 0 | 0 | 113.1 | P1999 E2000 I2001 A2006 R2007 A2541 A2544 I2545 I2548 H2692 | P1999-F2003 HydrophobicContact CB-CE2 4.39Å; P1999-F2003 WeakPolarHBondContact O-CD2 3.36Å; P1999-F2003 PolarHBondContact O-N 3.23Å; E2000-F2003 PolarHBondContact O-N 3.16Å; I2001-F2003 VanDerWaalsContact C-N 3.32Å; I2001-F2003 PolarHBondContact O-N 3.1Å; F2003-A2006 WeakPolarHBondContact O-CB 3.09Å; F2003-A2006 PolarHBondContact O-N 3.14Å; F2003-R2007 WeakPolarHBondContact O-CB 3.15Å; F2003-R2007 PolarHBondContact O-N 3.06Å; F2003-R2007 VanDerWaalsContact O-N 3.1Å; F2003-A2541 HydrophobicContact CD1-CB 4.24Å; F2003-A2541 HydrophobicContact CE1-CB 4.21Å; F2003-A2544 HydrophobicContact CD1-CB 3.75Å; F2003-A2544 HydrophobicContact CD2-CB 3.85Å; F2003-A2544 HydrophobicContact CE1-CB 3.61Å; F2003-A2544 HydrophobicContact CE2-CB 3.73Å; F2003-A2544 HydrophobicContact CG-CB 3.86Å; F2003-A2544 HydrophobicContact CZ-CB 3.6Å; F2003-I2545 HydrophobicContact CE1-CG1 4.16Å; F2003-I2545 HydrophobicContact CZ-CG1 3.9Å; F2003-I2548 HydrophobicContact CE2-CD1 3.64Å; F2003-I2548 HydrophobicContact CZ-CD1 4.06Å; F2003-H2692 WeakPolarHBondContact CB-ND1 3.48Å; F2003-H2692 HydrophobicContact CD1-CB 3.92Å; F2003-H2692 HydrophobicContact CD2-CB 3.74Å; F2003-H2692 AromaticContact CD2-CG 3.73Å; F2003-H2692 AromaticContact CD2-ND1 3.74Å; F2003-H2692 HydrophobicContact CE1-CB 3.82Å; F2003-H2692 HydrophobicContact CE2-CB 3.6Å; F2003-H2692 HydrophobicContact CG-CB 3.89Å; F2003-H2692 AromaticContact CG-CG 3.85Å; F2003-H2692 AromaticContact CG-ND1 3.62Å; F2003-H2692 HydrophobicContact CZ-CB 3.66Å |
| 2004 | F | 90.8 | Very high | 86.6 | Confident | 50.4 Ų | 50.4 | 61.2 Ų | 61.2 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 173.1 | -176.5 | -85.9 | 0 | 0 | 0 | 111.4 | Y1965 L1968 E2000 I2001 Y2002 A2006 R2007 S2008 F2663 | Y1965-F2004 HydrophobicContact CD1-CB 4.15Å; Y1965-F2004 AromaticContact CD1-CD1 3.87Å; Y1965-F2004 HydrophobicContact CD1-CD1 3.87Å; Y1965-F2004 AromaticContact CD1-CD2 3.71Å; Y1965-F2004 HydrophobicContact CD1-CD2 3.71Å; Y1965-F2004 HydrophobicContact CD1-CE1 4.18Å; Y1965-F2004 AromaticContact CD1-CE2 3.97Å; Y1965-F2004 HydrophobicContact CD1-CE2 4.03Å; Y1965-F2004 AromaticContact CD1-CG 3.63Å; Y1965-F2004 HydrophobicContact CD1-CG 3.63Å; Y1965-F2004 HydrophobicContact CD1-CZ 4.25Å; Y1965-F2004 HydrophobicContact CE1-CB 3.66Å; Y1965-F2004 HydrophobicContact CE1-CD1 4.23Å; Y1965-F2004 AromaticContact CE1-CD2 3.93Å; Y1965-F2004 HydrophobicContact CE1-CD2 3.93Å; Y1965-F2004 AromaticContact CE1-CG 3.67Å; Y1965-F2004 HydrophobicContact CE1-CG 3.67Å; Y1965-F2004 HydrophobicContact CG-CD2 4.42Å; Y1965-F2004 HydrophobicContact CG-CE2 4.44Å; L1968-F2004 HydrophobicContact CB-CE1 3.82Å; L1968-F2004 HydrophobicContact CB-CZ 4.5Å; L1968-F2004 HydrophobicContact CD1-CD1 3.92Å; L1968-F2004 HydrophobicContact CD1-CE1 3.75Å; L1968-F2004 HydrophobicContact CG-CE1 4.45Å; E2000-F2004 PolarHBondContact O-N 3.19Å; I2001-F2004 WeakPolarHBondContact O-CB 3.35Å; I2001-F2004 PolarHBondContact O-N 3.25Å; I2001-F2004 VanDerWaalsContact O-N 3.11Å; Y2002-F2004 VanDerWaalsContact C-N 3.32Å; Y2002-F2004 PolarHBondContact O-N 2.94Å; F2004-A2006 VanDerWaalsContact C-N 3.32Å; F2004-A2006 PolarHBondContact O-N 3.11Å; F2004-R2007 WeakPolarHBondContact O-CB 3.37Å; F2004-R2007 PolarHBondContact O-N 3.11Å; F2004-R2007 VanDerWaalsContact O-N 3.11Å; F2004-S2008 WeakPolarHBondContact O-CB 3.35Å; F2004-S2008 PolarHBondContact O-N 2.92Å; F2004-S2008 PolarHBondContact O-OG 3.21Å; F2004-S2008 VanDerWaalsContact O-OG 3.08Å; F2004-F2663 HydrophobicContact CD2-CE2 4.41Å |
| 2005 | I | 91.7 | Very high | 88.1 | Confident | 6.4 Ų | 6.4 | 58.5 Ų | 58.5 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 174.8 | -67.5 | 164.5 | 0 | 0 | 0 | 110.6 | L1968 L1983 V1986 I2001 Y2002 R2007 S2008 W2009 C2540 | L1968-I2005 HydrophobicContact CD1-CG1 4.37Å; L1983-I2005 HydrophobicContact CD2-CB 4.41Å; L1983-I2005 HydrophobicContact CD2-CG1 4.31Å; L1983-I2005 HydrophobicContact CD2-CG2 4.13Å; V1986-I2005 HydrophobicContact CB-CD1 4.45Å; V1986-I2005 HydrophobicContact CG1-CD1 3.62Å; V1986-I2005 HydrophobicContact CG1-CG1 4.49Å; I2001-I2005 HydrophobicContact CG2-CD1 3.82Å; I2001-I2005 HydrophobicContact CG2-CG1 4.38Å; I2001-I2005 VanDerWaalsContact O-CG1 3.28Å; I2001-I2005 WeakPolarHBondContact O-CG1 3.39Å; I2001-I2005 PolarHBondContact O-N 2.98Å; Y2002-I2005 PolarHBondContact O-N 3.04Å; I2005-R2007 VanDerWaalsContact C-N 3.32Å; I2005-R2007 PolarHBondContact O-N 3.13Å; I2005-S2008 WeakPolarHBondContact O-CB 3.39Å; I2005-S2008 PolarHBondContact O-N 3.14Å; I2005-W2009 VanDerWaalsContact O-CD1 3.31Å; I2005-W2009 PolarHBondContact O-N 3.05Å; I2005-C2540 HydrophobicContact CG2-CB 4.27Å |
| 2006 | A | 93.5 | Very high | 89.3 | Confident | 13.6 Ų | 13.6 | 53.2 Ų | 53.2 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y2002 F2003 F2004 S2008 W2009 Y2010 A2537 C2540 A2541 W2695 | Y2002-A2006 VanDerWaalsContact O-CB 3.29Å; Y2002-A2006 WeakPolarHBondContact O-CB 3.38Å; Y2002-A2006 PolarHBondContact O-N 2.96Å; F2003-A2006 WeakPolarHBondContact O-CB 3.09Å; F2003-A2006 PolarHBondContact O-N 3.14Å; F2004-A2006 VanDerWaalsContact C-N 3.32Å; F2004-A2006 PolarHBondContact O-N 3.11Å; A2006-S2008 VanDerWaalsContact C-N 3.33Å; A2006-S2008 PolarHBondContact O-N 3.34Å; A2006-W2009 PolarHBondContact O-N 3.3Å; A2006-Y2010 WeakPolarHBondContact O-CB 3.41Å; A2006-Y2010 PolarHBondContact O-N 3.26Å; A2006-A2537 VanDerWaalsContact CB-O 3.29Å; A2006-A2537 WeakPolarHBondContact CB-O 3.41Å; A2006-A2537 WeakPolarHBondContact O-CB 3.38Å; A2006-C2540 HydrophobicContact CB-CB 3.83Å; A2006-A2541 HydrophobicContact CB-CB 4.04Å; A2006-W2695 HydrophobicContact CB-CH2 3.99Å; A2006-W2695 HydrophobicContact CB-CZ3 3.93Å |
| 2007 | R | 93.2 | Very high | 90.2 | Very high | 106.4 Ų | 106.4 | 48.8 Ų | 48.8 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 175.1 | -113.3 | -177 | 179.9 | 150 | -0.9 | 112.4 | F2003 F2004 I2005 W2009 Y2010 T2011 H2692 W2695 | F2003-R2007 WeakPolarHBondContact O-CB 3.15Å; F2003-R2007 PolarHBondContact O-N 3.06Å; F2003-R2007 VanDerWaalsContact O-N 3.1Å; F2004-R2007 WeakPolarHBondContact O-CB 3.37Å; F2004-R2007 PolarHBondContact O-N 3.11Å; F2004-R2007 VanDerWaalsContact O-N 3.11Å; I2005-R2007 VanDerWaalsContact C-N 3.32Å; I2005-R2007 PolarHBondContact O-N 3.13Å; R2007-W2009 VanDerWaalsContact C-N 3.34Å; R2007-W2009 PolarHBondContact O-N 3.19Å; R2007-Y2010 CarbonylContact O-C 3.29Å; R2007-Y2010 WeakPolarHBondContact O-CA 3.28Å; R2007-Y2010 WeakPolarHBondContact O-CB 3.46Å; R2007-Y2010 PolarHBondContact O-N 3.09Å; R2007-T2011 WeakPolarHBondContact O-CB 3.42Å; R2007-T2011 PolarHBondContact O-N 3.26Å; R2007-T2011 PolarHBondContact O-OG1 3.2Å; R2007-H2692 PolarHBondContact NH1-CE1 3.23Å; R2007-H2692 PolarHBondContact NH1-ND1 2.91Å; R2007-H2692 VanDerWaalsContact NH1-ND1 3.12Å; R2007-H2692 PolarHBondContact NH2-ND1 3.34Å; R2007-W2695 HydrophobicContact CB-CH2 4.47Å; R2007-W2695 HydrophobicContact CB-CZ2 4.5Å; R2007-W2695 HydrophobicContact CG-CH2 3.78Å; R2007-W2695 HydrophobicContact CG-CZ2 3.74Å; R2007-W2695 HydrophobicContact CG-CZ3 4.23Å |
| 2008 | S | 92.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | F2004 I2005 A2006 Y2010 T2011 L2012 | F2004-S2008 WeakPolarHBondContact O-CB 3.35Å; F2004-S2008 PolarHBondContact O-N 2.92Å; F2004-S2008 PolarHBondContact O-OG 3.21Å; F2004-S2008 VanDerWaalsContact O-OG 3.08Å; I2005-S2008 WeakPolarHBondContact O-CB 3.39Å; I2005-S2008 PolarHBondContact O-N 3.14Å; A2006-S2008 VanDerWaalsContact C-N 3.33Å; A2006-S2008 PolarHBondContact O-N 3.34Å; S2008-Y2010 VanDerWaalsContact C-N 3.35Å; S2008-Y2010 PolarHBondContact O-N 3.13Å; S2008-T2011 WeakPolarHBondContact O-CB 3.18Å; S2008-T2011 PolarHBondContact O-N 3.18Å; S2008-L2012 WeakPolarHBondContact O-CB 3.33Å; S2008-L2012 WeakPolarHBondContact O-CG 3.49Å; S2008-L2012 PolarHBondContact O-N 3.03Å; S2008-L2012 VanDerWaalsContact O-N 3.09Å |
| 2009 | W | 95.4 | Very high | 91.1 | Very high | 13.4 Ų | 13.4 | 53.2 Ų | 53.2 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 171.8 | -79.3 | 127 | 0 | 0 | 0 | 112.8 | E1980 L1983 L1984 E1987 I2005 A2006 R2007 T2011 L2012 Y2013 Y2533 R2536 A2537 | E1980-W2009 HydrophobicContact CG-CH2 4.12Å; E1980-W2009 HydrophobicContact CG-CZ3 4.16Å; L1983-W2009 HydrophobicContact CB-CD2 4.4Å; L1983-W2009 HydrophobicContact CB-CH2 4.03Å; L1983-W2009 HydrophobicContact CB-CZ2 3.6Å; L1983-W2009 VanDerWaalsContact CB-CZ2 3.48Å; L1983-W2009 HydrophobicContact CD1-CD2 3.76Å; L1983-W2009 HydrophobicContact CD1-CE3 4.05Å; L1983-W2009 HydrophobicContact CD1-CG 4.09Å; L1983-W2009 HydrophobicContact CD1-CH2 4.39Å; L1983-W2009 HydrophobicContact CD1-CZ2 4.23Å; L1983-W2009 HydrophobicContact CD1-CZ3 4.25Å; L1984-W2009 HydrophobicContact CD1-CH2 4.47Å; L1984-W2009 HydrophobicContact CD2-CH2 4.09Å; L1984-W2009 HydrophobicContact CD2-CZ2 3.99Å; L1984-W2009 HydrophobicContact CG-CH2 3.91Å; L1984-W2009 HydrophobicContact CG-CZ2 4.03Å; E1987-W2009 PolarHBondContact OE1-NE1 3.19Å; I2005-W2009 VanDerWaalsContact O-CD1 3.31Å; I2005-W2009 PolarHBondContact O-N 3.05Å; A2006-W2009 PolarHBondContact O-N 3.3Å; R2007-W2009 VanDerWaalsContact C-N 3.34Å; R2007-W2009 PolarHBondContact O-N 3.19Å; W2009-T2011 VanDerWaalsContact C-N 3.3Å; W2009-T2011 PolarHBondContact O-N 2.9Å; W2009-L2012 HydrophobicContact CE3-CD1 3.79Å; W2009-L2012 HydrophobicContact CE3-CD2 4.3Å; W2009-L2012 HydrophobicContact CZ3-CD1 3.84Å; W2009-L2012 HydrophobicContact CZ3-CD2 4.22Å; W2009-L2012 PolarHBondContact O-N 3.2Å; W2009-Y2013 WeakPolarHBondContact O-CB 3.48Å; W2009-Y2013 PolarHBondContact O-N 3.14Å; W2009-Y2533 AromaticContact CE3-CD1 3.66Å; W2009-Y2533 HydrophobicContact CE3-CD1 3.66Å; W2009-Y2533 AromaticContact CE3-CE1 4Å; W2009-Y2533 HydrophobicContact CE3-CE1 4.07Å; W2009-Y2533 HydrophobicContact CE3-CG 4.22Å; W2009-Y2533 HydrophobicContact CH2-CE1 4.42Å; W2009-Y2533 AromaticContact CZ3-CD1 3.53Å; W2009-Y2533 HydrophobicContact CZ3-CD1 3.53Å; W2009-Y2533 VanDerWaalsContact CZ3-CD1 3.49Å; W2009-Y2533 AromaticContact CZ3-CE1 3.51Å; W2009-Y2533 HydrophobicContact CZ3-CE1 3.51Å; W2009-Y2533 VanDerWaalsContact CZ3-CE1 3.43Å; W2009-Y2533 HydrophobicContact CZ3-CG 4.44Å; W2009-R2536 HydrophobicContact CB-CB 4.46Å; W2009-R2536 HydrophobicContact CD2-CB 3.91Å; W2009-R2536 VanDerWaalsContact CE2-CD 3.44Å; W2009-R2536 HydrophobicContact CE3-CB 4.49Å; W2009-R2536 HydrophobicContact CG-CB 3.82Å; W2009-R2536 VanDerWaalsContact CH2-NH1 3.32Å; W2009-A2537 HydrophobicContact CB-CB 3.81Å |
| 2010 | Y | 94.4 | Very high | 91.3 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 37% | 0.365 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 176.4 | -174.9 | -98.2 | 0 | 0 | 0 | 112.8 | A2006 R2007 S2008 Y2013 H2014 L2534 W2695 V2699 | A2006-Y2010 WeakPolarHBondContact O-CB 3.41Å; A2006-Y2010 PolarHBondContact O-N 3.26Å; R2007-Y2010 CarbonylContact O-C 3.29Å; R2007-Y2010 WeakPolarHBondContact O-CA 3.28Å; R2007-Y2010 WeakPolarHBondContact O-CB 3.46Å; R2007-Y2010 PolarHBondContact O-N 3.09Å; S2008-Y2010 VanDerWaalsContact C-N 3.35Å; S2008-Y2010 PolarHBondContact O-N 3.13Å; Y2010-Y2013 AromaticContact CD2-CD1 3.91Å; Y2010-Y2013 HydrophobicContact CD2-CD1 3.91Å; Y2010-Y2013 HydrophobicContact CD2-CE1 4.42Å; Y2010-Y2013 AromaticContact CE2-CD1 3.83Å; Y2010-Y2013 HydrophobicContact CE2-CD1 3.83Å; Y2010-Y2013 AromaticContact CE2-CE1 3.88Å; Y2010-Y2013 HydrophobicContact CE2-CE1 4.02Å; Y2010-Y2013 WeakPolarHBondContact O-CB 3.43Å; Y2010-Y2013 PolarHBondContact O-N 3.22Å; Y2010-H2014 WeakPolarHBondContact O-CB 3.12Å; Y2010-H2014 PolarHBondContact O-N 3.36Å; Y2010-L2534 HydrophobicContact CD2-CD1 3.94Å; Y2010-L2534 HydrophobicContact CE2-CD1 4Å; Y2010-W2695 HydrophobicContact CD1-CZ2 4.1Å; Y2010-W2695 HydrophobicContact CD2-CZ2 4.29Å; Y2010-W2695 HydrophobicContact CG-CH2 4.47Å; Y2010-W2695 AromaticContact CG-CZ2 3.79Å; Y2010-W2695 HydrophobicContact CG-CZ2 3.79Å; Y2010-V2699 HydrophobicContact CD2-CG2 3.88Å; Y2010-V2699 HydrophobicContact CE2-CG2 4.01Å |
| 2011 | T | 92.7 | Very high | 91.5 | Very high | 69.2 Ų | 69.2 | 52.3 Ų | 52.3 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 174.6 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | R2007 S2008 W2009 Y2013 H2014 S2015 | R2007-T2011 WeakPolarHBondContact O-CB 3.42Å; R2007-T2011 PolarHBondContact O-N 3.26Å; R2007-T2011 PolarHBondContact O-OG1 3.2Å; S2008-T2011 WeakPolarHBondContact O-CB 3.18Å; S2008-T2011 PolarHBondContact O-N 3.18Å; W2009-T2011 VanDerWaalsContact C-N 3.3Å; W2009-T2011 PolarHBondContact O-N 2.9Å; T2011-Y2013 VanDerWaalsContact C-N 3.34Å; T2011-Y2013 PolarHBondContact O-N 3.19Å; T2011-H2014 PolarHBondContact O-N 3.23Å; T2011-S2015 WeakPolarHBondContact O-CB 3.34Å; T2011-S2015 PolarHBondContact O-N 3.18Å; T2011-S2015 VanDerWaalsContact O-N 3.09Å; T2011-S2015 PolarHBondContact O-OG 3.28Å |
| 2012 | L | 92.8 | Very high | 91.5 | Very high | 8.4 Ų | 8.4 | 57.2 Ų | 57.2 | 4% | 0.044 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 173 | -86.2 | 167.3 | 0 | 0 | 0 | 111.8 | S1976 L1979 E1980 L1983 S2008 W2009 H2014 S2015 T2016 Y2533 | S1976-L2012 WeakPolarHBondContact O-CD1 3.14Å; S1976-L2012 WeakPolarHBondContact O-CD2 3.36Å; L1979-L2012 HydrophobicContact CB-CD2 4.49Å; L1979-L2012 HydrophobicContact CD2-CD1 4.35Å; L1979-L2012 HydrophobicContact CD2-CD2 4.1Å; L1979-L2012 HydrophobicContact CD2-CG 4.06Å; L1979-L2012 HydrophobicContact CG-CD1 4.24Å; L1979-L2012 HydrophobicContact CG-CG 4.44Å; E1980-L2012 HydrophobicContact CB-CD1 4.15Å; L1983-L2012 HydrophobicContact CD1-CD1 3.77Å; S2008-L2012 WeakPolarHBondContact O-CB 3.33Å; S2008-L2012 WeakPolarHBondContact O-CG 3.49Å; S2008-L2012 PolarHBondContact O-N 3.03Å; S2008-L2012 VanDerWaalsContact O-N 3.09Å; W2009-L2012 HydrophobicContact CE3-CD1 3.79Å; W2009-L2012 HydrophobicContact CE3-CD2 4.3Å; W2009-L2012 HydrophobicContact CZ3-CD1 3.84Å; W2009-L2012 HydrophobicContact CZ3-CD2 4.22Å; W2009-L2012 PolarHBondContact O-N 3.2Å; L2012-H2014 VanDerWaalsContact C-N 3.32Å; L2012-H2014 PolarHBondContact O-N 2.97Å; L2012-S2015 PolarHBondContact O-N 3.27Å; L2012-S2015 VanDerWaalsContact O-N 3.15Å; L2012-T2016 WeakPolarHBondContact O-CB 3.44Å; L2012-T2016 PolarHBondContact O-N 3.17Å; L2012-T2016 PolarHBondContact O-OG1 3.32Å; L2012-T2016 VanDerWaalsContact O-OG1 3.13Å; L2012-Y2533 VanDerWaalsContact C-CD2 3.47Å; L2012-Y2533 HydrophobicContact CB-CD2 3.7Å; L2012-Y2533 HydrophobicContact CB-CE2 3.65Å; L2012-Y2533 HydrophobicContact CB-CG 4.26Å |
| 2013 | Y | 93.8 | Very high | 91.3 | Very high | 61.2 Ų | 61.2 | 56.7 Ų | 56.7 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.1 | -51.1 | 172.2 | 162.3 | -109.7 | 0 | 0 | 0 | 111.9 | W2009 Y2010 T2011 S2015 T2016 N2017 A2530 L2534 | W2009-Y2013 WeakPolarHBondContact O-CB 3.48Å; W2009-Y2013 PolarHBondContact O-N 3.14Å; Y2010-Y2013 AromaticContact CD2-CD1 3.91Å; Y2010-Y2013 HydrophobicContact CD2-CD1 3.91Å; Y2010-Y2013 HydrophobicContact CD2-CE1 4.42Å; Y2010-Y2013 AromaticContact CE2-CD1 3.83Å; Y2010-Y2013 HydrophobicContact CE2-CD1 3.83Å; Y2010-Y2013 AromaticContact CE2-CE1 3.88Å; Y2010-Y2013 HydrophobicContact CE2-CE1 4.02Å; Y2010-Y2013 WeakPolarHBondContact O-CB 3.43Å; Y2010-Y2013 PolarHBondContact O-N 3.22Å; T2011-Y2013 VanDerWaalsContact C-N 3.34Å; T2011-Y2013 PolarHBondContact O-N 3.19Å; Y2013-S2015 VanDerWaalsContact C-N 3.29Å; Y2013-S2015 PolarHBondContact O-N 3.32Å; Y2013-T2016 PolarHBondContact O-N 3.1Å; Y2013-N2017 HydrophobicContact CD2-CB 4.43Å; Y2013-N2017 WeakPolarHBondContact CE1-ND2 3.31Å; Y2013-N2017 HydrophobicContact CE2-CB 4.1Å; Y2013-N2017 WeakPolarHBondContact CE2-OD1 3.49Å; Y2013-N2017 VanDerWaalsContact O-CB 3.31Å; Y2013-N2017 WeakPolarHBondContact O-CB 3.4Å; Y2013-N2017 PolarHBondContact O-N 3.05Å; Y2013-N2017 PolarHBondContact OH-ND2 3.39Å; Y2013-N2017 VanDerWaalsContact OH-ND2 3.14Å; Y2013-N2017 PolarHBondContact OH-OD1 2.97Å; Y2013-A2530 HydrophobicContact CD2-CB 4Å; Y2013-A2530 VanDerWaalsContact CD2-O 3.31Å; Y2013-A2530 WeakPolarHBondContact CD2-O 3.44Å; Y2013-A2530 HydrophobicContact CE2-CB 4.31Å; Y2013-L2534 HydrophobicContact CD1-CD1 3.85Å; Y2013-L2534 HydrophobicContact CD2-CB 3.97Å; Y2013-L2534 HydrophobicContact CE1-CD1 3.95Å; Y2013-L2534 HydrophobicContact CE1-CD2 4.46Å; Y2013-L2534 HydrophobicContact CE2-CB 4.34Å; Y2013-L2534 HydrophobicContact CE2-CD2 4.22Å; Y2013-L2534 HydrophobicContact CG-CB 4.09Å; Y2013-L2534 HydrophobicContact CG-CD1 4.21Å |
| 2014 | H | 91.5 | Very high | 91.1 | Very high | 108.6 Ų | 108.6 | 57.2 Ų | 57.2 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64 | -37 | -178.2 | -170.3 | 56.5 | 0 | 0 | 0 | 112.5 | Y2010 T2011 L2012 K2018 | Y2010-H2014 WeakPolarHBondContact O-CB 3.12Å; Y2010-H2014 PolarHBondContact O-N 3.36Å; T2011-H2014 PolarHBondContact O-N 3.23Å; L2012-H2014 VanDerWaalsContact C-N 3.32Å; L2012-H2014 PolarHBondContact O-N 2.97Å; H2014-K2018 PolarHBondContact CD2-NZ 3.13Å; H2014-K2018 WeakPolarHBondContact NE2-CE 3.28Å; H2014-K2018 PolarHBondContact NE2-NZ 3.09Å; H2014-K2018 WeakPolarHBondContact O-CB 3.32Å; H2014-K2018 PolarHBondContact O-N 3Å; H2014-K2018 VanDerWaalsContact O-N 3.08Å |
| 2015 | S | 90.7 | Very high | 90.8 | Very high | 48.4 Ų | 48.4 | 59.1 Ų | 59.1 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.5 | -51.8 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | T2011 L2012 Y2013 N2017 K2018 E2019 | T2011-S2015 WeakPolarHBondContact O-CB 3.34Å; T2011-S2015 PolarHBondContact O-N 3.18Å; T2011-S2015 VanDerWaalsContact O-N 3.09Å; T2011-S2015 PolarHBondContact O-OG 3.28Å; L2012-S2015 PolarHBondContact O-N 3.27Å; L2012-S2015 VanDerWaalsContact O-N 3.15Å; Y2013-S2015 VanDerWaalsContact C-N 3.29Å; Y2013-S2015 PolarHBondContact O-N 3.32Å; S2015-N2017 VanDerWaalsContact C-N 3.33Å; S2015-N2017 PolarHBondContact O-N 3.17Å; S2015-K2018 WeakPolarHBondContact O-CB 3.39Å; S2015-K2018 PolarHBondContact O-N 3.07Å; S2015-K2018 VanDerWaalsContact O-N 3.12Å; S2015-E2019 WeakPolarHBondContact O-CG 3.3Å; S2015-E2019 PolarHBondContact O-N 3.02Å |
| 2016 | T | 91 | Very high | 90.5 | Very high | 19.6 Ų | 19.6 | 62.1 Ų | 62.1 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -32.5 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | L2012 Y2013 K2018 E2019 F2020 L2526 K2529 A2530 Y2533 | L2012-T2016 WeakPolarHBondContact O-CB 3.44Å; L2012-T2016 PolarHBondContact O-N 3.17Å; L2012-T2016 PolarHBondContact O-OG1 3.32Å; L2012-T2016 VanDerWaalsContact O-OG1 3.13Å; Y2013-T2016 PolarHBondContact O-N 3.1Å; T2016-K2018 VanDerWaalsContact C-N 3.34Å; T2016-K2018 PolarHBondContact O-N 3.04Å; T2016-E2019 VanDerWaalsContact CA-OE2 3.28Å; T2016-E2019 WeakPolarHBondContact CA-OE2 3.27Å; T2016-E2019 PolarHBondContact O-N 3.32Å; T2016-E2019 PolarHBondContact OG1-OE2 3.42Å; T2016-F2020 WeakPolarHBondContact O-CB 3.4Å; T2016-F2020 PolarHBondContact O-N 2.94Å; T2016-L2526 HydrophobicContact CG2-CD2 4.05Å; T2016-K2529 HydrophobicContact CG2-CB 4.33Å; T2016-K2529 HydrophobicContact CG2-CG 4.3Å; T2016-A2530 HydrophobicContact CG2-CB 4.1Å; T2016-Y2533 WeakPolarHBondContact OG1-CD2 3.2Å; T2016-Y2533 WeakPolarHBondContact OG1-CE2 3.43Å |
| 2017 | N | 90.4 | Very high | 89.9 | Confident | 46.8 Ų | 46.8 | 64.2 Ų | 64.2 | 25% | 0.25 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 172.1 | -144 | 88.8 | 0 | 0 | 0 | 111.3 | Y2013 S2015 F2020 E2021 | Y2013-N2017 HydrophobicContact CD2-CB 4.43Å; Y2013-N2017 WeakPolarHBondContact CE1-ND2 3.31Å; Y2013-N2017 HydrophobicContact CE2-CB 4.1Å; Y2013-N2017 WeakPolarHBondContact CE2-OD1 3.49Å; Y2013-N2017 VanDerWaalsContact O-CB 3.31Å; Y2013-N2017 WeakPolarHBondContact O-CB 3.4Å; Y2013-N2017 PolarHBondContact O-N 3.05Å; Y2013-N2017 PolarHBondContact OH-ND2 3.39Å; Y2013-N2017 VanDerWaalsContact OH-ND2 3.14Å; Y2013-N2017 PolarHBondContact OH-OD1 2.97Å; S2015-N2017 VanDerWaalsContact C-N 3.33Å; S2015-N2017 PolarHBondContact O-N 3.17Å; N2017-F2020 WeakPolarHBondContact O-CB 3.43Å; N2017-F2020 PolarHBondContact O-N 3.29Å; N2017-E2021 PolarHBondContact ND2-OE1 3.19Å; N2017-E2021 VanDerWaalsContact ND2-OE1 3.14Å; N2017-E2021 VanDerWaalsContact O-CG 3.31Å; N2017-E2021 WeakPolarHBondContact O-CG 3.39Å; N2017-E2021 PolarHBondContact O-N 3.09Å |
| 2018 | K | 90.2 | Very high | 89.3 | Confident | 114.8 Ų | 114.8 | 64.7 Ų | 64.7 | 50% | 0.499 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.6 | -160.8 | 179 | 175.3 | 179.8 | 0 | 112 | H2014 S2015 T2016 F2020 E2021 Q2022 S2656 | H2014-K2018 PolarHBondContact CD2-NZ 3.13Å; H2014-K2018 WeakPolarHBondContact NE2-CE 3.28Å; H2014-K2018 PolarHBondContact NE2-NZ 3.09Å; H2014-K2018 WeakPolarHBondContact O-CB 3.32Å; H2014-K2018 PolarHBondContact O-N 3Å; H2014-K2018 VanDerWaalsContact O-N 3.08Å; S2015-K2018 WeakPolarHBondContact O-CB 3.39Å; S2015-K2018 PolarHBondContact O-N 3.07Å; S2015-K2018 VanDerWaalsContact O-N 3.12Å; T2016-K2018 VanDerWaalsContact C-N 3.34Å; T2016-K2018 PolarHBondContact O-N 3.04Å; K2018-F2020 VanDerWaalsContact C-N 3.34Å; K2018-E2021 PolarHBondContact O-N 3.06Å; K2018-Q2022 WeakPolarHBondContact O-CB 3.46Å; K2018-Q2022 VanDerWaalsContact O-CG 3.26Å; K2018-Q2022 WeakPolarHBondContact O-CG 3.27Å; K2018-Q2022 PolarHBondContact O-N 3.01Å; K2018-S2656 PolarHBondContact NZ-OG 2.75Å |
| 2019 | E | 89 | Confident | 88.5 | Confident | 87.4 Ų | 87.4 | 67.7 Ų | 67.7 | 41% | 0.408 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.5 | -69 | 161.9 | -170 | 0 | 0 | 111.4 | S2015 T2016 Q2022 A2023 R2473 | S2015-E2019 WeakPolarHBondContact O-CG 3.3Å; S2015-E2019 PolarHBondContact O-N 3.02Å; T2016-E2019 VanDerWaalsContact CA-OE2 3.28Å; T2016-E2019 WeakPolarHBondContact CA-OE2 3.27Å; T2016-E2019 PolarHBondContact O-N 3.32Å; T2016-E2019 PolarHBondContact OG1-OE2 3.42Å; E2019-Q2022 PolarHBondContact O-N 3.1Å; E2019-A2023 WeakPolarHBondContact O-CB 3.42Å; E2019-A2023 PolarHBondContact O-N 3.09Å; E2019-R2473 PolarHBondContact O-NH2 3.35Å |
| 2020 | F | 89.2 | Confident | 87.3 | Confident | 44.2 Ų | 44.2 | 69.8 Ų | 69.8 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.8 | 175.6 | -103.8 | 0 | 0 | 0 | 112.6 | T2016 N2017 K2018 Q2022 A2023 L2024 L2523 L2526 K2527 | T2016-F2020 WeakPolarHBondContact O-CB 3.4Å; T2016-F2020 PolarHBondContact O-N 2.94Å; N2017-F2020 WeakPolarHBondContact O-CB 3.43Å; N2017-F2020 PolarHBondContact O-N 3.29Å; K2018-F2020 VanDerWaalsContact C-N 3.34Å; F2020-Q2022 VanDerWaalsContact C-N 3.33Å; F2020-Q2022 PolarHBondContact O-N 3.14Å; F2020-A2023 WeakPolarHBondContact O-CB 3.46Å; F2020-A2023 PolarHBondContact O-N 2.98Å; F2020-A2023 VanDerWaalsContact O-N 3.11Å; F2020-L2024 HydrophobicContact CD1-CD1 4.08Å; F2020-L2024 HydrophobicContact CD1-CG 4.48Å; F2020-L2024 HydrophobicContact CE1-CD1 3.48Å; F2020-L2024 VanDerWaalsContact CE1-CD1 3.47Å; F2020-L2024 HydrophobicContact CE1-CG 4.18Å; F2020-L2024 HydrophobicContact CE2-CD1 4.41Å; F2020-L2024 HydrophobicContact CE2-CD2 4.43Å; F2020-L2024 HydrophobicContact CE2-CG 4.31Å; F2020-L2024 HydrophobicContact CZ-CD1 3.7Å; F2020-L2024 HydrophobicContact CZ-CD2 4.26Å; F2020-L2024 HydrophobicContact CZ-CG 4.06Å; F2020-L2024 WeakPolarHBondContact O-CG 3.5Å; F2020-L2024 PolarHBondContact O-N 3.2Å; F2020-L2523 HydrophobicContact CD2-CD2 3.76Å; F2020-L2523 WeakPolarHBondContact CD2-O 3.42Å; F2020-L2523 HydrophobicContact CE2-CB 4.27Å; F2020-L2523 HydrophobicContact CE2-CD2 3.78Å; F2020-L2523 VanDerWaalsContact CE2-O 3.32Å; F2020-L2523 WeakPolarHBondContact CE2-O 3.35Å; F2020-L2526 HydrophobicContact CB-CB 4.2Å; F2020-L2526 HydrophobicContact CD2-CB 4.16Å; F2020-K2527 HydrophobicContact CD2-CB 4.07Å; F2020-K2527 HydrophobicContact CE1-CD 4.49Å; F2020-K2527 HydrophobicContact CE2-CB 3.75Å; F2020-K2527 HydrophobicContact CE2-CD 4.36Å; F2020-K2527 HydrophobicContact CE2-CG 4.42Å; F2020-K2527 HydrophobicContact CZ-CB 4.13Å; F2020-K2527 HydrophobicContact CZ-CD 3.97Å; F2020-K2527 HydrophobicContact CZ-CG 4.3Å |
| 2021 | E | 88.2 | Confident | 86.1 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 175 | -66.8 | -55.5 | 149.1 | 0 | 0 | 111.6 | N2017 K2018 A2023 L2024 N2025 | N2017-E2021 PolarHBondContact ND2-OE1 3.19Å; N2017-E2021 VanDerWaalsContact ND2-OE1 3.14Å; N2017-E2021 VanDerWaalsContact O-CG 3.31Å; N2017-E2021 WeakPolarHBondContact O-CG 3.39Å; N2017-E2021 PolarHBondContact O-N 3.09Å; K2018-E2021 PolarHBondContact O-N 3.06Å; E2021-A2023 VanDerWaalsContact C-N 3.34Å; E2021-A2023 PolarHBondContact O-N 3.16Å; E2021-L2024 PolarHBondContact O-N 3.24Å; E2021-N2025 PolarHBondContact O-N 3.07Å; E2021-N2025 PolarHBondContact O-ND2 3.2Å |
| 2022 | Q | 88.4 | Confident | 84.8 | Confident | 111.6 Ų | 111.6 | 70.5 Ų | 70.5 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.5 | -74.8 | 175.1 | -18 | 0 | 0 | 112.3 | K2018 E2019 F2020 S2026 | K2018-Q2022 WeakPolarHBondContact O-CB 3.46Å; K2018-Q2022 VanDerWaalsContact O-CG 3.26Å; K2018-Q2022 WeakPolarHBondContact O-CG 3.27Å; K2018-Q2022 PolarHBondContact O-N 3.01Å; E2019-Q2022 PolarHBondContact O-N 3.1Å; F2020-Q2022 VanDerWaalsContact C-N 3.33Å; F2020-Q2022 PolarHBondContact O-N 3.14Å; Q2022-S2026 WeakPolarHBondContact O-CB 3.3Å; Q2022-S2026 PolarHBondContact O-N 2.94Å; Q2022-S2026 VanDerWaalsContact O-N 3.11Å; Q2022-S2026 PolarHBondContact O-OG 2.99Å |
| 2023 | A | 86.4 | Confident | 83.4 | Confident | 34.2 Ų | 34.2 | 73.3 Ų | 73.3 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E2019 F2020 E2021 S2026 L2027 L2523 L2526 | E2019-A2023 WeakPolarHBondContact O-CB 3.42Å; E2019-A2023 PolarHBondContact O-N 3.09Å; F2020-A2023 WeakPolarHBondContact O-CB 3.46Å; F2020-A2023 PolarHBondContact O-N 2.98Å; F2020-A2023 VanDerWaalsContact O-N 3.11Å; E2021-A2023 VanDerWaalsContact C-N 3.34Å; E2021-A2023 PolarHBondContact O-N 3.16Å; A2023-S2026 WeakPolarHBondContact O-CB 3.43Å; A2023-S2026 PolarHBondContact O-N 3.16Å; A2023-L2027 WeakPolarHBondContact O-CB 3.49Å; A2023-L2027 PolarHBondContact O-N 3.14Å; A2023-L2027 VanDerWaalsContact O-N 3.14Å; A2023-L2523 HydrophobicContact CB-CD2 3.48Å; A2023-L2523 VanDerWaalsContact CB-CD2 3.47Å; A2023-L2523 HydrophobicContact CB-CG 4.26Å; A2023-L2526 HydrophobicContact CB-CD1 4.47Å |
| 2024 | L | 86.2 | Confident | 81.5 | Confident | 60.6 Ų | 60.6 | 74.7 Ų | 74.7 | 32% | 0.317 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 173.5 | -74.4 | 179.4 | 0 | 0 | 0 | 111.8 | F2020 E2021 S2026 L2027 E2028 L2523 | F2020-L2024 HydrophobicContact CD1-CD1 4.08Å; F2020-L2024 HydrophobicContact CD1-CG 4.48Å; F2020-L2024 HydrophobicContact CE1-CD1 3.48Å; F2020-L2024 VanDerWaalsContact CE1-CD1 3.47Å; F2020-L2024 HydrophobicContact CE1-CG 4.18Å; F2020-L2024 HydrophobicContact CE2-CD1 4.41Å; F2020-L2024 HydrophobicContact CE2-CD2 4.43Å; F2020-L2024 HydrophobicContact CE2-CG 4.31Å; F2020-L2024 HydrophobicContact CZ-CD1 3.7Å; F2020-L2024 HydrophobicContact CZ-CD2 4.26Å; F2020-L2024 HydrophobicContact CZ-CG 4.06Å; F2020-L2024 WeakPolarHBondContact O-CG 3.5Å; F2020-L2024 PolarHBondContact O-N 3.2Å; E2021-L2024 PolarHBondContact O-N 3.24Å; L2024-S2026 VanDerWaalsContact C-N 3.25Å; L2024-S2026 PolarHBondContact O-N 3.28Å; L2024-L2027 WeakPolarHBondContact O-CB 3.26Å; L2024-L2027 PolarHBondContact O-N 3.17Å; L2024-L2027 VanDerWaalsContact O-N 3.16Å; L2024-E2028 WeakPolarHBondContact O-CB 3.09Å; L2024-E2028 PolarHBondContact O-N 3.09Å; L2024-L2523 HydrophobicContact CD2-CD1 4.11Å; L2024-L2523 HydrophobicContact CD2-CD2 3.81Å; L2024-L2523 HydrophobicContact CG-CD2 3.94Å |
| 2025 | N | 86.3 | Confident | 79.7 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59 | -34.5 | 178.3 | -79.9 | -89.1 | 0 | 0 | 0 | 112.1 | E2021 S2029 | E2021-N2025 PolarHBondContact O-N 3.07Å; E2021-N2025 PolarHBondContact O-ND2 3.2Å; N2025-S2029 WeakPolarHBondContact O-CB 3.32Å; N2025-S2029 PolarHBondContact O-N 3.29Å; N2025-S2029 PolarHBondContact O-OG 3.03Å |
| 2026 | S | 84.7 | Confident | 77.8 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | Q2022 A2023 L2024 S2029 S2030 | Q2022-S2026 WeakPolarHBondContact O-CB 3.3Å; Q2022-S2026 PolarHBondContact O-N 2.94Å; Q2022-S2026 VanDerWaalsContact O-N 3.11Å; Q2022-S2026 PolarHBondContact O-OG 2.99Å; A2023-S2026 WeakPolarHBondContact O-CB 3.43Å; A2023-S2026 PolarHBondContact O-N 3.16Å; L2024-S2026 VanDerWaalsContact C-N 3.25Å; L2024-S2026 PolarHBondContact O-N 3.28Å; S2026-S2029 WeakPolarHBondContact O-CB 3.16Å; S2026-S2029 PolarHBondContact O-N 2.97Å; S2026-S2030 WeakPolarHBondContact O-CB 3.41Å; S2026-S2030 PolarHBondContact O-N 3.18Å; S2026-S2030 VanDerWaalsContact O-N 3.11Å; S2026-S2030 PolarHBondContact O-OG 3.23Å; S2026-S2030 VanDerWaalsContact O-OG 3.11Å |
| 2027 | L | 80.6 | Confident | 75.9 | Confident | 59.4 Ų | 59.4 | 78.1 Ų | 78.1 | 31% | 0.311 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 176.4 | -177.6 | 60.7 | 0 | 0 | 0 | 111.9 | A2023 L2024 S2029 S2030 N2031 L2523 | A2023-L2027 WeakPolarHBondContact O-CB 3.49Å; A2023-L2027 PolarHBondContact O-N 3.14Å; A2023-L2027 VanDerWaalsContact O-N 3.14Å; L2024-L2027 WeakPolarHBondContact O-CB 3.26Å; L2024-L2027 PolarHBondContact O-N 3.17Å; L2024-L2027 VanDerWaalsContact O-N 3.16Å; L2027-S2029 VanDerWaalsContact C-N 3.35Å; L2027-S2030 WeakPolarHBondContact O-CB 3.38Å; L2027-S2030 PolarHBondContact O-N 3.11Å; L2027-N2031 PolarHBondContact O-N 2.95Å; L2027-N2031 PolarHBondContact O-ND2 3.26Å; L2027-L2523 HydrophobicContact CD2-CD1 3.68Å |
| 2028 | E | 80.2 | Confident | 73.8 | Confident | 116.8 Ų | 116.8 | 81 Ų | 81 | 55% | 0.546 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 175.1 | -135.3 | 176.3 | -178.4 | 0 | 0 | 111.8 | L2024 S2030 N2031 N2032 | L2024-E2028 WeakPolarHBondContact O-CB 3.09Å; L2024-E2028 PolarHBondContact O-N 3.09Å; E2028-S2030 VanDerWaalsContact C-N 3.3Å; E2028-S2030 PolarHBondContact O-N 3.01Å; E2028-N2031 PolarHBondContact O-N 3.2Å; E2028-N2031 VanDerWaalsContact O-N 3.08Å; E2028-N2032 WeakPolarHBondContact O-CB 3.11Å; E2028-N2032 PolarHBondContact O-N 3.03Å; E2028-N2032 PolarHBondContact O-ND2 3.17Å; E2028-N2032 VanDerWaalsContact O-ND2 3.15Å |
| 2029 | S | 76.2 | Confident | 71.8 | Confident | 76.2 Ų | 76.2 | 82.4 Ų | 82.4 | 53% | 0.533 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 173.6 | -60 | 0 | 0 | 0 | 0 | 112.2 | N2025 S2026 L2027 N2031 N2032 S2033 | N2025-S2029 WeakPolarHBondContact O-CB 3.32Å; N2025-S2029 PolarHBondContact O-N 3.29Å; N2025-S2029 PolarHBondContact O-OG 3.03Å; S2026-S2029 WeakPolarHBondContact O-CB 3.16Å; S2026-S2029 PolarHBondContact O-N 2.97Å; L2027-S2029 VanDerWaalsContact C-N 3.35Å; S2029-N2031 PolarHBondContact O-N 3.32Å; S2029-N2032 PolarHBondContact O-N 3.5Å; S2029-S2033 WeakPolarHBondContact O-CB 3.44Å; S2029-S2033 PolarHBondContact O-N 3.04Å; S2029-S2033 VanDerWaalsContact O-N 3.12Å; S2029-S2033 PolarHBondContact O-OG 3.15Å |
| 2030 | S | 70.7 | Confident | 70 | Confident | 58.2 Ų | 58.2 | 83.9 Ų | 83.9 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | S2026 L2027 E2028 S2033 N2034 | S2026-S2030 WeakPolarHBondContact O-CB 3.41Å; S2026-S2030 PolarHBondContact O-N 3.18Å; S2026-S2030 VanDerWaalsContact O-N 3.11Å; S2026-S2030 PolarHBondContact O-OG 3.23Å; S2026-S2030 VanDerWaalsContact O-OG 3.11Å; L2027-S2030 WeakPolarHBondContact O-CB 3.38Å; L2027-S2030 PolarHBondContact O-N 3.11Å; E2028-S2030 VanDerWaalsContact C-N 3.3Å; E2028-S2030 PolarHBondContact O-N 3.01Å; S2030-S2033 WeakPolarHBondContact CA-OG 3.39Å; S2030-S2033 PolarHBondContact O-N 3.03Å; S2030-S2033 PolarHBondContact O-OG 3.16Å; S2030-S2033 VanDerWaalsContact O-OG 3.12Å; S2030-N2034 WeakPolarHBondContact O-CB 3.45Å; S2030-N2034 VanDerWaalsContact O-CG 3.28Å; S2030-N2034 PolarHBondContact O-N 3.32Å; S2030-N2034 PolarHBondContact O-ND2 3.13Å; S2030-N2034 VanDerWaalsContact O-ND2 3.15Å |
| 2031 | N | 68.5 | Low | 67.9 | Low | 82.6 Ų | 82.6 | 90.5 Ų | 90.5 | 44% | 0.442 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 176.1 | -76 | -28 | 0 | 0 | 0 | 112.2 | L2027 E2028 S2029 S2033 N2034 Q2035 | L2027-N2031 PolarHBondContact O-N 2.95Å; L2027-N2031 PolarHBondContact O-ND2 3.26Å; E2028-N2031 PolarHBondContact O-N 3.2Å; E2028-N2031 VanDerWaalsContact O-N 3.08Å; S2029-N2031 PolarHBondContact O-N 3.32Å; N2031-S2033 VanDerWaalsContact C-N 3.32Å; N2031-S2033 PolarHBondContact O-N 3.05Å; N2031-N2034 PolarHBondContact O-N 3.31Å; N2031-N2034 VanDerWaalsContact O-N 3.16Å; N2031-Q2035 WeakPolarHBondContact O-CB 3.5Å; N2031-Q2035 WeakPolarHBondContact O-CG 3.44Å; N2031-Q2035 PolarHBondContact O-N 3.3Å |
| 2032 | N | 66.3 | Low | 66 | Low | 94.4 Ų | 94.4 | 91.6 Ų | 91.6 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 178.3 | -72.1 | -29 | 0 | 0 | 0 | 112.7 | E2028 S2029 N2034 Q2035 S2036 | E2028-N2032 WeakPolarHBondContact O-CB 3.11Å; E2028-N2032 PolarHBondContact O-N 3.03Å; E2028-N2032 PolarHBondContact O-ND2 3.17Å; E2028-N2032 VanDerWaalsContact O-ND2 3.15Å; S2029-N2032 PolarHBondContact O-N 3.5Å; N2032-N2034 VanDerWaalsContact C-N 3.29Å; N2032-N2034 PolarHBondContact O-N 2.94Å; N2032-Q2035 PolarHBondContact O-N 3.37Å; N2032-S2036 WeakPolarHBondContact O-CB 3.42Å; N2032-S2036 PolarHBondContact O-N 3.28Å; N2032-S2036 VanDerWaalsContact O-N 3.13Å; N2032-S2036 PolarHBondContact O-OG 3.34Å; N2032-S2036 VanDerWaalsContact O-OG 3.06Å |
| 2033 | S | 62 | Low | 64 | Low | 65.6 Ų | 65.6 | 92.1 Ų | 92.1 | 46% | 0.459 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.7 | -30.5 | 173 | 30.4 | 0 | 0 | 0 | 0 | 113.3 | S2029 S2030 N2031 S2036 S2037 | S2029-S2033 WeakPolarHBondContact O-CB 3.44Å; S2029-S2033 PolarHBondContact O-N 3.04Å; S2029-S2033 VanDerWaalsContact O-N 3.12Å; S2029-S2033 PolarHBondContact O-OG 3.15Å; S2030-S2033 WeakPolarHBondContact CA-OG 3.39Å; S2030-S2033 PolarHBondContact O-N 3.03Å; S2030-S2033 PolarHBondContact O-OG 3.16Å; S2030-S2033 VanDerWaalsContact O-OG 3.12Å; N2031-S2033 VanDerWaalsContact C-N 3.32Å; N2031-S2033 PolarHBondContact O-N 3.05Å; S2033-S2036 WeakPolarHBondContact CA-OG 3.33Å; S2033-S2036 PolarHBondContact O-OG 3.07Å; S2033-S2036 VanDerWaalsContact O-OG 3.12Å; S2033-S2037 WeakPolarHBondContact O-CB 3.31Å; S2033-S2037 PolarHBondContact O-N 3.29Å; S2033-S2037 PolarHBondContact O-OG 3.03Å |
| 2034 | N | 55.5 | Low | 62.1 | Low | 91.6 Ų | 91.6 | 96.5 Ų | 96.5 | 49% | 0.49 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.7 | -34.9 | 172.4 | -72.6 | -41.7 | 0 | 0 | 0 | 112.4 | S2030 N2031 N2032 S2037 L2038 | S2030-N2034 WeakPolarHBondContact O-CB 3.45Å; S2030-N2034 VanDerWaalsContact O-CG 3.28Å; S2030-N2034 PolarHBondContact O-N 3.32Å; S2030-N2034 PolarHBondContact O-ND2 3.13Å; S2030-N2034 VanDerWaalsContact O-ND2 3.15Å; N2031-N2034 PolarHBondContact O-N 3.31Å; N2031-N2034 VanDerWaalsContact O-N 3.16Å; N2032-N2034 VanDerWaalsContact C-N 3.29Å; N2032-N2034 PolarHBondContact O-N 2.94Å; N2034-S2037 WeakPolarHBondContact CA-OG 3.39Å; N2034-S2037 PolarHBondContact O-OG 3.11Å; N2034-S2037 VanDerWaalsContact O-OG 3.11Å; N2034-L2038 WeakPolarHBondContact O-CB 3.41Å; N2034-L2038 WeakPolarHBondContact O-CD1 3.5Å; N2034-L2038 VanDerWaalsContact O-CG 3.28Å; N2034-L2038 WeakPolarHBondContact O-CG 3.38Å; N2034-L2038 PolarHBondContact O-N 3.23Å; N2034-L2038 VanDerWaalsContact O-N 3.11Å |
| 2035 | Q | 52.5 | Low | 60.1 | Low | 121 Ų | 121 | 100.3 Ų | 100.3 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.7 | -37.5 | 174.9 | -73.6 | -167 | 23.2 | 0 | 0 | 113.2 | N2031 N2032 L2038 K2039 | N2031-Q2035 WeakPolarHBondContact O-CB 3.5Å; N2031-Q2035 WeakPolarHBondContact O-CG 3.44Å; N2031-Q2035 PolarHBondContact O-N 3.3Å; N2032-Q2035 PolarHBondContact O-N 3.37Å; Q2035-L2038 PolarHBondContact O-N 2.86Å; Q2035-K2039 WeakPolarHBondContact O-CB 3.37Å; Q2035-K2039 WeakPolarHBondContact O-CG 3.32Å; Q2035-K2039 PolarHBondContact O-N 3.05Å; Q2035-K2039 VanDerWaalsContact O-N 3.12Å |
| 2036 | S | 51.5 | Low | 57.9 | Low | 62.6 Ų | 62.6 | 102.1 Ų | 102.1 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | N2032 S2033 L2038 K2039 I2040 | N2032-S2036 WeakPolarHBondContact O-CB 3.42Å; N2032-S2036 PolarHBondContact O-N 3.28Å; N2032-S2036 VanDerWaalsContact O-N 3.13Å; N2032-S2036 PolarHBondContact O-OG 3.34Å; N2032-S2036 VanDerWaalsContact O-OG 3.06Å; S2033-S2036 WeakPolarHBondContact CA-OG 3.33Å; S2033-S2036 PolarHBondContact O-OG 3.07Å; S2033-S2036 VanDerWaalsContact O-OG 3.12Å; S2036-L2038 VanDerWaalsContact C-N 3.34Å; S2036-L2038 PolarHBondContact O-N 3.14Å; S2036-K2039 PolarHBondContact O-N 3.28Å; S2036-I2040 WeakPolarHBondContact O-CD1 3.38Å; S2036-I2040 VanDerWaalsContact O-CG1 3.29Å; S2036-I2040 WeakPolarHBondContact O-CG1 3.36Å; S2036-I2040 PolarHBondContact O-N 3.4Å; S2036-I2040 VanDerWaalsContact O-N 3.1Å |
| 2037 | S | 49.9 | Very low | 55.6 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.4 | -29.9 | 175.5 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | S2033 N2034 R2041 | S2033-S2037 WeakPolarHBondContact O-CB 3.31Å; S2033-S2037 PolarHBondContact O-N 3.29Å; S2033-S2037 PolarHBondContact O-OG 3.03Å; N2034-S2037 WeakPolarHBondContact CA-OG 3.39Å; N2034-S2037 PolarHBondContact O-OG 3.11Å; N2034-S2037 VanDerWaalsContact O-OG 3.11Å; S2037-R2041 PolarHBondContact O-N 3Å; S2037-R2041 VanDerWaalsContact O-N 3.09Å |
| 2038 | L | 47 | Very low | 53.4 | Low | 107.2 Ų | 107.2 | 107.8 Ų | 107.8 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.2 | -33.8 | 172 | -75.8 | 168.6 | 0 | 0 | 0 | 113.4 | N2034 Q2035 S2036 R2041 N2042 | N2034-L2038 WeakPolarHBondContact O-CB 3.41Å; N2034-L2038 WeakPolarHBondContact O-CD1 3.5Å; N2034-L2038 VanDerWaalsContact O-CG 3.28Å; N2034-L2038 WeakPolarHBondContact O-CG 3.38Å; N2034-L2038 PolarHBondContact O-N 3.23Å; N2034-L2038 VanDerWaalsContact O-N 3.11Å; Q2035-L2038 PolarHBondContact O-N 2.86Å; S2036-L2038 VanDerWaalsContact C-N 3.34Å; S2036-L2038 PolarHBondContact O-N 3.14Å; L2038-R2041 PolarHBondContact O-N 3.26Å; L2038-N2042 VanDerWaalsContact O-CG 3.27Å; L2038-N2042 PolarHBondContact O-N 3.25Å; L2038-N2042 VanDerWaalsContact O-N 3.09Å |
| 2039 | K | 48 | Very low | 51.3 | Low | 144.8 Ų | 144.8 | 107.7 Ų | 107.7 | 63% | 0.63 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -46.5 | 172.8 | -86.1 | -177.8 | 173.1 | 177.6 | 0 | 112.1 | Q2035 S2036 R2041 N2042 D2043 | Q2035-K2039 WeakPolarHBondContact O-CB 3.37Å; Q2035-K2039 WeakPolarHBondContact O-CG 3.32Å; Q2035-K2039 PolarHBondContact O-N 3.05Å; Q2035-K2039 VanDerWaalsContact O-N 3.12Å; S2036-K2039 PolarHBondContact O-N 3.28Å; K2039-R2041 VanDerWaalsContact C-N 3.35Å; K2039-R2041 PolarHBondContact O-N 3.44Å; K2039-N2042 PolarHBondContact O-N 3.11Å; K2039-D2043 VanDerWaalsContact C-OD2 3.31Å; K2039-D2043 WeakPolarHBondContact O-CB 3.27Å; K2039-D2043 VanDerWaalsContact O-CG 3.22Å; K2039-D2043 PolarHBondContact O-N 3.08Å; K2039-D2043 VanDerWaalsContact O-N 3.13Å; K2039-D2043 VanDerWaalsContact O-OD2 3.1Å |
| 2040 | I | 51.6 | Low | 49.3 | Very low | 117.8 Ų | 117.8 | 112.8 Ų | 112.8 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.7 | -23.3 | -179.6 | -66 | 166.1 | 0 | 0 | 0 | 112.1 | S2036 N2044 | S2036-I2040 WeakPolarHBondContact O-CD1 3.38Å; S2036-I2040 VanDerWaalsContact O-CG1 3.29Å; S2036-I2040 WeakPolarHBondContact O-CG1 3.36Å; S2036-I2040 PolarHBondContact O-N 3.4Å; S2036-I2040 VanDerWaalsContact O-N 3.1Å; I2040-N2044 WeakPolarHBondContact O-CB 3.42Å; I2040-N2044 PolarHBondContact O-N 2.88Å; I2040-N2044 PolarHBondContact O-ND2 3.08Å |
| 2041 | R | 45 | Very low | 47.6 | Very low | 182.4 Ų | 182.4 | 116.6 Ų | 116.6 | 69% | 0.688 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -84 | -31.7 | 178.3 | -165.3 | 169.3 | -173.1 | 142.4 | 6.9 | 114.1 | S2037 L2038 K2039 D2043 N2044 E2045 | S2037-R2041 PolarHBondContact O-N 3Å; S2037-R2041 VanDerWaalsContact O-N 3.09Å; L2038-R2041 PolarHBondContact O-N 3.26Å; K2039-R2041 VanDerWaalsContact C-N 3.35Å; K2039-R2041 PolarHBondContact O-N 3.44Å; R2041-D2043 VanDerWaalsContact C-N 3.31Å; R2041-D2043 PolarHBondContact O-N 2.99Å; R2041-N2044 PolarHBondContact O-N 3.14Å; R2041-E2045 IonicContact CZ-OE1 3.26Å; R2041-E2045 VanDerWaalsContact CZ-OE1 3.26Å; R2041-E2045 IonicContact NE-OE1 2.83Å; R2041-E2045 PolarHBondContact NE-OE1 3.12Å; R2041-E2045 IonicContact NH2-OE1 2.87Å; R2041-E2045 PolarHBondContact NH2-OE1 3.01Å; R2041-E2045 PolarHBondContact O-N 3.22Å |
| 2042 | N | 47.6 | Very low | 46.2 | Very low | 111.4 Ų | 111.4 | 121.3 Ų | 121.3 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.1 | -20.9 | -176.3 | -73.1 | -5.7 | 0 | 0 | 0 | 113.5 | L2038 K2039 N2044 E2045 N2046 | L2038-N2042 VanDerWaalsContact O-CG 3.27Å; L2038-N2042 PolarHBondContact O-N 3.25Å; L2038-N2042 VanDerWaalsContact O-N 3.09Å; K2039-N2042 PolarHBondContact O-N 3.11Å; N2042-N2044 VanDerWaalsContact C-N 3.27Å; N2042-N2044 PolarHBondContact O-N 3.01Å; N2042-E2045 PolarHBondContact O-N 3.28Å; N2042-N2046 WeakPolarHBondContact O-CB 3.46Å; N2042-N2046 PolarHBondContact O-N 3.32Å; N2042-N2046 PolarHBondContact O-ND2 3.28Å |
| 2043 | D | 48.1 | Very low | 44.6 | Very low | 123.2 Ų | 123.2 | 123.6 Ų | 123.6 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.4 | -11.1 | -179 | -63 | -29.2 | 0 | 0 | 0 | 113 | K2039 R2041 N2046 L2047 | K2039-D2043 VanDerWaalsContact C-OD2 3.31Å; K2039-D2043 WeakPolarHBondContact O-CB 3.27Å; K2039-D2043 VanDerWaalsContact O-CG 3.22Å; K2039-D2043 PolarHBondContact O-N 3.08Å; K2039-D2043 VanDerWaalsContact O-N 3.13Å; K2039-D2043 VanDerWaalsContact O-OD2 3.1Å; R2041-D2043 VanDerWaalsContact C-N 3.31Å; R2041-D2043 PolarHBondContact O-N 2.99Å; D2043-N2046 PolarHBondContact O-N 2.99Å; D2043-L2047 WeakPolarHBondContact O-CB 3.43Å; D2043-L2047 PolarHBondContact O-N 3.16Å |
| 2044 | N | 46.5 | Very low | 43.2 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -104.1 | -6.8 | -178 | -78.4 | -63.8 | 0 | 0 | 0 | 114.1 | I2040 R2041 N2042 N2046 L2047 | I2040-N2044 WeakPolarHBondContact O-CB 3.42Å; I2040-N2044 PolarHBondContact O-N 2.88Å; I2040-N2044 PolarHBondContact O-ND2 3.08Å; R2041-N2044 PolarHBondContact O-N 3.14Å; N2042-N2044 VanDerWaalsContact C-N 3.27Å; N2042-N2044 PolarHBondContact O-N 3.01Å; N2044-N2046 VanDerWaalsContact C-N 3.34Å; N2044-N2046 PolarHBondContact O-N 3.32Å; N2044-L2047 PolarHBondContact O-N 3.13Å |
| 2045 | E | 43.5 | Very low | 42.1 | Very low | 141.2 Ų | 141.2 | 129.6 Ų | 129.6 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -115.4 | 124.5 | 168.4 | -76.3 | -177.2 | -164.9 | 0 | 0 | 112 | R2041 N2042 L2047 S2048 T2049 | R2041-E2045 IonicContact CZ-OE1 3.26Å; R2041-E2045 VanDerWaalsContact CZ-OE1 3.26Å; R2041-E2045 IonicContact NE-OE1 2.83Å; R2041-E2045 PolarHBondContact NE-OE1 3.12Å; R2041-E2045 IonicContact NH2-OE1 2.87Å; R2041-E2045 PolarHBondContact NH2-OE1 3.01Å; R2041-E2045 PolarHBondContact O-N 3.22Å; N2042-E2045 PolarHBondContact O-N 3.28Å; E2045-L2047 PolarHBondContact O-N 2.79Å; E2045-S2048 PolarHBondContact O-N 3.13Å; E2045-S2048 PolarHBondContact O-OG 3.28Å; E2045-T2049 PolarHBondContact O-OG1 3.13Å |
| 2046 | N | 39.9 | Very low | 41 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | trans | -33.9 | 26.2 | 171.5 | -64.5 | -68.6 | 0 | 0 | 0 | 114.9 | N2042 D2043 N2044 S2048 T2049 | N2042-N2046 WeakPolarHBondContact O-CB 3.46Å; N2042-N2046 PolarHBondContact O-N 3.32Å; N2042-N2046 PolarHBondContact O-ND2 3.28Å; D2043-N2046 PolarHBondContact O-N 2.99Å; N2044-N2046 VanDerWaalsContact C-N 3.34Å; N2044-N2046 PolarHBondContact O-N 3.32Å; N2046-S2048 PolarHBondContact O-N 3.05Å; N2046-S2048 VanDerWaalsContact O-N 3.13Å; N2046-T2049 PolarHBondContact O-N 2.9Å | ||
| 2047 | L | 36.3 | Very low | 40.1 | Very low | 158.4 Ų | 158.4 | 135.5 Ų | 135.5 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | trans | -82.8 | 46.1 | 156 | -162.3 | 67.1 | 0 | 0 | 0 | 112.1 | D2043 N2044 E2045 T2049 | D2043-L2047 WeakPolarHBondContact O-CB 3.43Å; D2043-L2047 PolarHBondContact O-N 3.16Å; N2044-L2047 PolarHBondContact O-N 3.13Å; E2045-L2047 PolarHBondContact O-N 2.79Å; L2047-T2049 VanDerWaalsContact C-N 3.28Å; L2047-T2049 PolarHBondContact O-N 3.12Å | ||
| 2048 | S | 35.6 | Very low | 39.2 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | -109.7 | 138 | 169.3 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | E2045 N2046 | E2045-S2048 PolarHBondContact O-N 3.13Å; E2045-S2048 PolarHBondContact O-OG 3.28Å; N2046-S2048 PolarHBondContact O-N 3.05Å; N2046-S2048 VanDerWaalsContact O-N 3.13Å | ||
| 2049 | T | 35.9 | Very low | 38.4 | Very low | 115.8 Ų | 115.8 | 140.6 Ų | 140.6 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | 46.6 | 61.6 | 170.6 | -19.6 | 0 | 0 | 0 | 0 | 116.2 | E2045 N2046 L2047 | E2045-T2049 PolarHBondContact O-OG1 3.13Å; N2046-T2049 PolarHBondContact O-N 2.9Å; L2047-T2049 VanDerWaalsContact C-N 3.28Å; L2047-T2049 PolarHBondContact O-N 3.12Å | ||
| 2050 | F | 34.2 | Very low | 37.5 | Very low | 182.8 Ų | 182.8 | 141.5 Ų | 141.5 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -71.5 | 81 | 161.8 | -96.1 | -87.7 | 0 | 0 | 0 | 115.7 | K2052 | F2050-K2052 VanDerWaalsContact C-N 3.29Å; F2050-K2052 PolarHBondContact O-N 3.4Å | ||
| 2051 | N | 35.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 22.1 | 80.8 | 153 | -142.9 | 0.9 | 0 | 0 | 0 | 116.6 | ||||
| 2052 | K | 37.7 | Very low | 35.7 | Very low | 181.6 Ų | 181.6 | 139 Ų | 139 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -146.9 | 132.4 | 150.4 | -84.8 | 174.5 | -178.1 | 176.3 | 0 | 115.1 | F2050 | F2050-K2052 VanDerWaalsContact C-N 3.29Å; F2050-K2052 PolarHBondContact O-N 3.4Å | ||
| 2053 | N | 33.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 98.2 | 101.6 | 162.5 | -56.8 | -17.8 | 0 | 0 | 0 | 117.1 | ||||
| 2054 | N | 33 | Very low | 34 | Very low | 152.8 Ų | 152.8 | 140 Ų | 140 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 47.2 | 131.3 | 141.3 | -79.9 | -13.8 | 0 | 0 | 0 | 117.3 | ||||
| 2055 | T | 31 | Very low | 33.2 | Very low | 129.6 Ų | 129.6 | 141.1 Ų | 141.1 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | 61.3 | 120 | 146.2 | 36.5 | 0 | 0 | 0 | 0 | 116 | N2057 | T2055-N2057 PolarHBondContact O-N 3.42Š| ||
| 2056 | M | 30.8 | Very low | 32.4 | Very low | 165.6 Ų | 165.6 | 141.9 Ų | 141.9 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | 170.8 | 119.5 | 140.9 | -87.1 | -64.1 | -165.7 | 0 | 0 | 112.8 | ||||
| 2057 | N | 32.7 | Very low | 32 | Very low | 142.4 Ų | 142.4 | 141.1 Ų | 141.1 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | 89.2 | 106.9 | 149.7 | -72.9 | -17.7 | 0 | 0 | 0 | 115 | T2055 | T2055-N2057 PolarHBondContact O-N 3.42Š| ||
| 2058 | T | 29.5 | Very low | 31.6 | Very low | 125.4 Ų | 125.4 | 142.8 Ų | 142.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | cis | 176.6 | 137.2 | 34.1 | -37.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2059 | I | 31.6 | Very low | 31.4 | Very low | 152.4 Ų | 152.4 | 143.6 Ų | 143.6 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 125.6 | 88.5 | 162.7 | -68.3 | 162.3 | 0 | 0 | 0 | 110.6 | S2061 | I2059-S2061 WeakPolarHBondContact CG2-O 3.48Š| ||
| 2060 | L | 28.9 | Very low | 31 | Very low | 164.8 Ų | 164.8 | 144.8 Ų | 144.8 | 86% | 0.863 | 77% | 0.767 | S | S | * | * | trans | 154 | 83.1 | 145.8 | -103.3 | 159.9 | 0 | 0 | 0 | 114.2 | ||||
| 2061 | S | 29.1 | Very low | 30.8 | Very low | 97.6 Ų | 97.6 | 143.3 Ų | 143.3 | 68% | 0.683 | 77% | 0.767 | S | S | * | * | trans | -173.7 | 108.5 | 159.3 | 43 | 0 | 0 | 0 | 0 | 112.6 | I2059 | I2059-S2061 WeakPolarHBondContact CG2-O 3.48Š| ||
| 2062 | D | 28.5 | Very low | 30.4 | Very low | 149.8 Ų | 149.8 | 142.1 Ų | 142.1 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | -162.3 | 127.6 | 110.5 | -96.5 | -32.1 | 0 | 0 | 0 | 115.1 | |||||
| 2063 | S | 32.4 | Very low | 30 | Very low | 107.4 Ų | 107.4 | 140.8 Ų | 140.8 | 75% | 0.751 | 77% | 0.766 | S | S | * | * | trans | -134 | 107.4 | 154.3 | 39.9 | 0 | 0 | 0 | 0 | 114.1 | I2065 | S2063-I2065 VanDerWaalsContact C-N 3.32Å; S2063-I2065 PolarHBondContact O-N 3.03Å | ||
| 2064 | N | 28.3 | Very low | 29.7 | Very low | 147.4 Ų | 147.4 | 139.7 Ų | 139.7 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -94.2 | 112.6 | 167.6 | -86.8 | -44.1 | 0 | 0 | 0 | 111.6 | H2066 | N2064-H2066 PolarHBondContact O-N 2.9Š| ||
| 2065 | I | 29.7 | Very low | 29.5 | Very low | 149.8 Ų | 149.8 | 137.9 Ų | 137.9 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | trans | -117.6 | 104.5 | 144.4 | -71.4 | 171.1 | 0 | 0 | 0 | 108.3 | S2063 V2067 | S2063-I2065 VanDerWaalsContact C-N 3.32Å; S2063-I2065 PolarHBondContact O-N 3.03Å; I2065-V2067 HydrophobicContact CG2-CG2 3.68Å; I2065-V2067 PolarHBondContact O-N 2.91Å | ||
| 2066 | H | 27.7 | Very low | 29.4 | Very low | 156.4 Ų | 156.4 | 139.6 Ų | 139.6 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | -121.7 | 117.2 | 143.3 | -152.3 | -58.8 | 0 | 0 | 0 | 110.7 | N2064 Y2068 | N2064-H2066 PolarHBondContact O-N 2.9Å; H2066-Y2068 AromaticContact CE1-CE2 3.41Å; H2066-Y2068 VanDerWaalsContact CE1-CE2 3.41Å; H2066-Y2068 WeakPolarHBondContact CE1-CE2 3.46Å; H2066-Y2068 AromaticContact CE1-CZ 3.83Å; H2066-Y2068 AromaticContact ND1-CD2 3.71Å; H2066-Y2068 AromaticContact ND1-CE2 3.38Å; H2066-Y2068 WeakPolarHBondContact ND1-CE2 3.35Å; H2066-Y2068 PolarHBondContact O-N 3.11Å | ||
| 2067 | V | 30.9 | Very low | 29.2 | Very low | 112.6 Ų | 112.6 | 139.4 Ų | 139.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -11.7 | 119.2 | 164.8 | -178 | 0 | 0 | 0 | 0 | 114 | I2065 | I2065-V2067 HydrophobicContact CG2-CG2 3.68Å; I2065-V2067 PolarHBondContact O-N 2.91Å | ||
| 2068 | Y | 26.9 | Very low | 29 | Very low | 193.4 Ų | 193.4 | 139.6 Ų | 139.6 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -62.7 | 152.9 | 158.1 | -79.6 | -93.3 | 0 | 0 | 0 | 112.4 | H2066 N2070 H2743 | H2066-Y2068 AromaticContact CE1-CE2 3.41Å; H2066-Y2068 VanDerWaalsContact CE1-CE2 3.41Å; H2066-Y2068 WeakPolarHBondContact CE1-CE2 3.46Å; H2066-Y2068 AromaticContact CE1-CZ 3.83Å; H2066-Y2068 AromaticContact ND1-CD2 3.71Å; H2066-Y2068 AromaticContact ND1-CE2 3.38Å; H2066-Y2068 WeakPolarHBondContact ND1-CE2 3.35Å; H2066-Y2068 PolarHBondContact O-N 3.11Å; Y2068-N2070 PolarHBondContact O-N 2.82Å; Y2068-H2743 AromaticContact CE1-CE1 3.27Å; Y2068-H2743 WeakPolarHBondContact CE1-CE1 3.31Å; Y2068-H2743 AromaticContact CE1-ND1 3.79Å; Y2068-H2743 AromaticContact CZ-CE1 3.49Å; Y2068-H2743 VanDerWaalsContact CZ-CE1 3.49Å; Y2068-H2743 AromaticContact CZ-ND1 3.9Å; Y2068-H2743 PolarHBondContact OH-CE1 2.87Å; Y2068-H2743 PolarHBondContact OH-ND1 2.74Å | ||
| 2069 | P | 32.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | -114.9 | 160.8 | 72.3 | 29.7 | -15.3 | 0 | 0 | 0 | 112.8 | |||||
| 2070 | N | 27.7 | Very low | 28.9 | Very low | 139.2 Ų | 139.2 | 139.1 Ų | 139.1 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | 113.3 | 112.4 | 156.1 | -94.5 | -21.6 | 0 | 0 | 0 | 114.8 | Y2068 | Y2068-N2070 PolarHBondContact O-N 2.82Š| ||
| 2071 | L | 28.9 | Very low | 29.1 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -178 | 90.8 | 141 | -122.6 | 89.7 | 0 | 0 | 0 | 113.4 | ||||
| 2072 | T | 27.1 | Very low | 29.2 | Very low | 111.6 Ų | 111.6 | 139.9 Ų | 139.9 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -118.4 | 137.5 | 160.1 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2073 | N | 28.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 73.8 | 107.8 | 150.2 | -64.8 | -17.8 | 0 | 0 | 0 | 117.5 | ||||
| 2074 | S | 27.2 | Very low | 29.2 | Very low | 119.6 Ų | 119.6 | 140.7 Ų | 140.7 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | -130.2 | 134 | 142.2 | -129 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2075 | V | 28.5 | Very low | 29.3 | Very low | 116.4 Ų | 116.4 | 138.2 Ų | 138.2 | 71% | 0.705 | 75% | 0.745 | S | S | * | * | trans | -177.5 | 123.1 | 169.9 | 175 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2076 | Q | 28.9 | Very low | 29.2 | Very low | 165.8 Ų | 165.8 | 138.3 Ų | 138.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 68.1 | 125.7 | 149.7 | -70.2 | 163.9 | -41.7 | 0 | 0 | 116.6 | ||||
| 2077 | E | 28.5 | Very low | 29.3 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | 168.3 | 161.8 | 80.8 | -98.8 | 177 | 152.1 | 0 | 0 | 114.5 | T2079 | E2077-T2079 PolarHBondContact O-N 3.33Š| |||
| 2078 | L | 28.4 | Very low | 29.3 | Very low | 145.8 Ų | 145.8 | 135.3 Ų | 135.3 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 81.4 | 125.3 | 168.9 | -72.6 | 167.4 | 0 | 0 | 0 | 114.5 | ||||
| 2079 | T | 31.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | -168.5 | 139.2 | 103.8 | 45 | 0 | 0 | 0 | 0 | 112.4 | E2077 | E2077-T2079 PolarHBondContact O-N 3.33Š| |||
| 2080 | N | 27.8 | Very low | 29.4 | Very low | 144.8 Ų | 144.8 | 132.1 Ų | 132.1 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | -130.1 | 152.2 | 160.4 | -79.5 | -13.7 | 0 | 0 | 0 | 112.6 | ||||
| 2081 | N | 32.4 | Very low | 29.5 | Very low | 138.4 Ų | 138.4 | 131.4 Ų | 131.4 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | 119.8 | 127.2 | 155.7 | -75.5 | -1.8 | 0 | 0 | 0 | 115.1 | I2083 | N2081-I2083 PolarHBondContact O-N 3.23Š| ||
| 2082 | D | 30.3 | Very low | 29.6 | Very low | 139.6 Ų | 139.6 | 130.2 Ų | 130.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -150.4 | 150.9 | 169.1 | -104 | -30.2 | 0 | 0 | 0 | 113.6 | ||||
| 2083 | I | 32.9 | Very low | 29.8 | Very low | 133.4 Ų | 133.4 | 131.7 Ų | 131.7 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | 104.9 | 114.2 | 159.2 | -65 | 172.3 | 0 | 0 | 0 | 114.2 | N2081 | N2081-I2083 PolarHBondContact O-N 3.23Š| ||
| 2084 | N | 29.2 | Very low | 29.8 | Very low | 141.6 Ų | 141.6 | 129.1 Ų | 129.1 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 109.6 | 142.1 | 140 | -82.1 | -32.6 | 0 | 0 | 0 | 117.7 | ||||
| 2085 | S | 30.3 | Very low | 29.9 | Very low | 94.6 Ų | 94.6 | 129.8 Ų | 129.8 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | 154.4 | 133.7 | 89.3 | -65.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 2086 | N | 27.8 | Very low | 29.9 | Very low | 152.8 Ų | 152.8 | 131.8 Ų | 131.8 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | trans | 104 | 115.4 | 154.8 | -78.6 | -13.6 | 0 | 0 | 0 | 116 | ||||
| 2087 | S | 30.2 | Very low | 30 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | 151.7 | 141.3 | 112.8 | 69.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 2088 | S | 30.1 | Very low | 30 | Very low | 103.2 Ų | 103.2 | 126.7 Ų | 126.7 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | 80.9 | 138.6 | 127.7 | 70.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 2089 | V | 30.8 | Very low | 30 | Very low | 120 Ų | 120 | 125 Ų | 125 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | 148.9 | 143.8 | 54.2 | 154.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2090 | T | 31.8 | Very low | 29.9 | Very low | 112.6 Ų | 112.6 | 123.4 Ų | 123.4 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | 59.1 | 139.2 | 154.2 | 59.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2091 | N | 29.7 | Very low | 30 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | cis | 151.5 | 138.7 | 30.5 | -97.4 | 4.5 | 0 | 0 | 0 | 116 | ||||
| 2092 | N | 30.3 | Very low | 30 | Very low | 127.4 Ų | 127.4 | 122.2 Ų | 122.2 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | trans | 68.1 | 124.6 | 132.5 | -60.3 | -3.9 | 0 | 0 | 0 | 120.2 | ||||
| 2093 | N | 30.4 | Very low | 30 | Very low | 142.2 Ų | 142.2 | 121.8 Ų | 121.8 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | 124.5 | 139.8 | 125.9 | -86.4 | 8.4 | 0 | 0 | 0 | 114.8 | |||||
| 2094 | C | 29.4 | Very low | 29.9 | Very low | 99.6 Ų | 99.6 | 121 Ų | 121 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | 81.1 | 133 | 119.9 | -71.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2095 | D | 29.9 | Very low | 30 | Very low | 135 Ų | 135 | 120 Ų | 120 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | 161.1 | 141.1 | 84.9 | -82.3 | -44.4 | 0 | 0 | 0 | 117.2 | |||||
| 2096 | I | 27.9 | Very low | 29.9 | Very low | 157 Ų | 157 | 122.1 Ų | 122.1 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | 54.5 | 121.2 | 125 | -58.8 | 167.5 | 0 | 0 | 0 | 118.4 | |||||
| 2097 | G | 29.9 | Very low | 30.1 | Very low | 63.6 Ų | 63.6 | 120.5 Ų | 120.5 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | trans | 154.2 | 98 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2098 | N | 29.4 | Very low | 30 | Very low | 156.6 Ų | 156.6 | 121 Ų | 121 | 84% | 0.837 | 72% | 0.724 | S | S | * | * | 60.6 | 126 | 125.7 | -63 | -18.2 | 0 | 0 | 0 | 117.7 | |||||
| 2099 | S | 27.5 | Very low | 30.1 | Very low | 110.4 Ų | 110.4 | 121.7 Ų | 121.7 | 77% | 0.772 | 72% | 0.724 | S | S | * | * | 72.6 | 139.4 | 113.4 | -122.5 | 0 | 0 | 0 | 0 | 115.6 | T2101 | S2099-T2101 PolarHBondContact OG-OG1 2.92Š| |||
| 2100 | A | 30.7 | Very low | 30 | Very low | 88.6 Ų | 88.6 | 121.4 Ų | 121.4 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | -170.5 | 137.3 | 65.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2101 | T | 29.4 | Very low | 30 | Very low | 113.6 Ų | 113.6 | 123 Ų | 123 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | 55.2 | 127.3 | 146.9 | -10.6 | 0 | 0 | 0 | 0 | 116.5 | S2099 | S2099-T2101 PolarHBondContact OG-OG1 2.92Š| ||
| 2102 | I | 31.2 | Very low | 30 | Very low | 145.2 Ų | 145.2 | 124.1 Ų | 124.1 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | 161 | 128.6 | 93.6 | -77.7 | 166.9 | 0 | 0 | 0 | 110.6 | |||||
| 2103 | N | 30.3 | Very low | 30 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | 158.9 | 138.2 | 75.5 | -80.9 | -14.1 | 0 | 0 | 0 | 112.4 | |||||
| 2104 | T | 31.7 | Very low | 30 | Very low | 116.2 Ų | 116.2 | 122.4 Ų | 122.4 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | -119.9 | 155.6 | 99.6 | -47 | 0 | 0 | 0 | 0 | 112.4 | I2106 | T2104-I2106 HydrophobicContact CG2-CB 4.49Å; T2104-I2106 HydrophobicContact CG2-CD1 4.05Å; T2104-I2106 HydrophobicContact CG2-CG1 3.85Å | |||
| 2105 | T | 30.7 | Very low | 30 | Very low | 120.8 Ų | 120.8 | 123.9 Ų | 123.9 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | -134.4 | 140.2 | 51.7 | -15.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 2106 | I | 29.6 | Very low | 29.8 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -129.5 | 128.6 | 141.3 | -73.8 | 174.7 | 0 | 0 | 0 | 107.6 | T2104 T2108 | T2104-I2106 HydrophobicContact CG2-CB 4.49Å; T2104-I2106 HydrophobicContact CG2-CD1 4.05Å; T2104-I2106 HydrophobicContact CG2-CG1 3.85Å; I2106-T2108 HydrophobicContact CG2-CG2 4.02Å | ||
| 2107 | T | 30.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | -156 | 138.1 | 89.3 | 10.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 2108 | T | 29.8 | Very low | 29.8 | Very low | 114.8 Ų | 114.8 | 124 Ų | 124 | 70% | 0.704 | 73% | 0.73 | S | S | * | * | trans | -145.4 | 138.8 | 148.8 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | I2106 | I2106-T2108 HydrophobicContact CG2-CG2 4.02Š| ||
| 2109 | T | 30.9 | Very low | 29.7 | Very low | 117.4 Ų | 117.4 | 119.5 Ų | 119.5 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | -176.2 | 123.5 | 80.8 | 33.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 2110 | T | 29.9 | Very low | 29.7 | Very low | 112.4 Ų | 112.4 | 122.8 Ų | 122.8 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | 65 | 128 | 83.4 | 63 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2111 | N | 31.1 | Very low | 29.5 | Very low | 146.2 Ų | 146.2 | 122.9 Ų | 122.9 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | 179.1 | 149.7 | 86.6 | -90.1 | -17.7 | 0 | 0 | 0 | 115.3 | |||||
| 2112 | N | 28.9 | Very low | 29.4 | Very low | 150.2 Ų | 150.2 | 124.7 Ų | 124.7 | 80% | 0.803 | 73% | 0.726 | S | S | * | * | trans | -56.5 | 148.2 | 156 | -74.3 | -19.5 | 0 | 0 | 0 | 115.1 | ||||
| 2113 | S | 31.4 | Very low | 29.2 | Very low | 98.4 Ų | 98.4 | 123.2 Ų | 123.2 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | 176.6 | 141.5 | 107 | 20 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 2114 | N | 28.9 | Very low | 29.1 | Very low | 136.4 Ų | 136.4 | 121.3 Ų | 121.3 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | trans | 60.6 | 124.3 | 131.7 | -59.1 | -15.3 | 0 | 0 | 0 | 119.1 | ||||
| 2115 | N | 29.8 | Very low | 28.9 | Very low | 130.2 Ų | 130.2 | 122.2 Ų | 122.2 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | 82.8 | 132.6 | 123.1 | -68.4 | -7.7 | 0 | 0 | 0 | 117 | |||||
| 2116 | S | 27.3 | Very low | 28.7 | Very low | 92.6 Ų | 92.6 | 120.5 Ų | 120.5 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | 147.5 | 149.4 | 74.6 | 62 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 2117 | I | 27.8 | Very low | 28.7 | Very low | 134.4 Ų | 134.4 | 119.9 Ų | 119.9 | 69% | 0.689 | 71% | 0.712 | S | S | * | * | 86.3 | 129.7 | 108.9 | -81.1 | 168.9 | 0 | 0 | 0 | 116.3 | |||||
| 2118 | T | 28.3 | Very low | 28.5 | Very low | 130.6 Ų | 130.6 | 121.4 Ų | 121.4 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | trans | 97.8 | 136 | 142.3 | 44 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2119 | G | 27.7 | Very low | 28.4 | Very low | 62.6 Ų | 62.6 | 119 Ų | 119 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | trans | 124.5 | 129.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 2120 | M | 28.8 | Very low | 28.4 | Very low | 179.2 Ų | 179.2 | 118.9 Ų | 118.9 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | 26.9 | 136.6 | 107.9 | -61.5 | 179 | -29.4 | 0 | 0 | 114.3 | |||||
| 2121 | S | 26.3 | Very low | 28.3 | Very low | 90.2 Ų | 90.2 | 117.9 Ų | 117.9 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | 91.1 | 128.9 | 61 | -147.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2122 | L | 26.9 | Very low | 28.2 | Very low | 151.8 Ų | 151.8 | 117.3 Ų | 117.3 | 80% | 0.795 | 70% | 0.696 | S | S | * | * | -175.4 | 148.1 | 85.6 | -67.6 | 162.5 | 0 | 0 | 0 | 113.6 | |||||
| 2123 | V | 27 | Very low | 28.3 | Very low | 113.6 Ų | 113.6 | 117 Ų | 117 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | cis | 115 | 132.8 | 47.7 | 150.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 2124 | S | 27.3 | Very low | 28.2 | Very low | 91.6 Ų | 91.6 | 121.6 Ų | 121.6 | 64% | 0.641 | 70% | 0.702 | S | S | * | * | 105 | 153.2 | 55.6 | -70.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2125 | D | 27.8 | Very low | 28.2 | Very low | 135.2 Ų | 135.2 | 120.2 Ų | 120.2 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | 163.5 | 166.6 | 63.9 | -83.3 | -54 | 0 | 0 | 0 | 115.9 | |||||
| 2126 | S | 27.7 | Very low | 28.1 | Very low | 85.2 Ų | 85.2 | 120.8 Ų | 120.8 | 60% | 0.596 | 71% | 0.706 | S | S | * | * | cis | 106 | 159 | -5.2 | 70.1 | 0 | 0 | 0 | 0 | 114.7 | H2403 | S2126-H2403 VanDerWaalsContact C-CD2 3.47Š| ||
| 2127 | N | 28 | Very low | 28.1 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | cis | -174.9 | 145.6 | -10.1 | -94.5 | -33.9 | 0 | 0 | 0 | 110.8 | H2403 | N2127-H2403 PolarHBondContact N-CD2 3.33Å; N2127-H2403 PolarHBondContact O-CD2 2.92Å | ||
| 2128 | H | 27 | Very low | 28.1 | Very low | 151.8 Ų | 151.8 | 124.9 Ų | 124.9 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | 82 | 130.4 | 117.5 | -113.6 | -30.4 | 0 | 0 | 0 | 117.2 | H2403 S2404 T2405 | H2128-H2403 CarbonylContact O-C 3.57Å; H2128-H2403 VanDerWaalsContact O-C 3.29Å; H2128-S2404 VanDerWaalsContact C-N 3.28Å; H2128-S2404 CarbonylContact C-O 3.56Å; H2128-S2404 WeakPolarHBondContact CA-O 3.42Å; H2128-S2404 VanDerWaalsContact N-CB 3.3Å; H2128-S2404 PolarHBondContact O-N 3.35Å; H2128-T2405 VanDerWaalsContact CA-OG1 3.24Å; H2128-T2405 WeakPolarHBondContact CA-OG1 3.14Å; H2128-T2405 PolarHBondContact CD2-OG1 3.5Å; H2128-T2405 VanDerWaalsContact CD2-OG1 3.31Å; H2128-T2405 PolarHBondContact CE1-O 3.27Å; H2128-T2405 PolarHBondContact CE1-OG1 3.19Å; H2128-T2405 VanDerWaalsContact CE1-OG1 3.32Å; H2128-T2405 PolarHBondContact N-OG1 3.01Å; H2128-T2405 PolarHBondContact ND1-O 3.03Å; H2128-T2405 PolarHBondContact ND1-OG1 3.47Å; H2128-T2405 VanDerWaalsContact ND1-OG1 3.09Å; H2128-T2405 PolarHBondContact NE2-OG1 3.16Å | |||
| 2129 | A | 28.3 | Very low | 28.1 | Very low | 64 Ų | 64 | 126 Ų | 126 | 53% | 0.529 | 72% | 0.723 | S | S | . | * | -172.5 | 141 | -57.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S2404 | A2129-S2404 WeakPolarHBondContact CA-O 3.32Å; A2129-S2404 PolarHBondContact N-O 2.91Å | |||
| 2130 | T | 29.3 | Very low | 28.2 | Very low | 115.6 Ų | 115.6 | 128.5 Ų | 128.5 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | 45.7 | 146.2 | 125.3 | 59.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2131 | S | 28.5 | Very low | 28.3 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | -166.7 | 171 | -9 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2132 | D | 29.7 | Very low | 28.3 | Very low | 132.8 Ų | 132.8 | 129.7 Ų | 129.7 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | trans | 107.2 | 134.1 | 130.4 | -79.7 | -32 | 0 | 0 | 0 | 118.4 | ||||
| 2133 | N | 30 | Very low | 28.3 | Very low | 143.8 Ų | 143.8 | 127.4 Ų | 127.4 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | 94.8 | 111.8 | 144.7 | -74.3 | -55.8 | 0 | 0 | 0 | 119.2 | ||||
| 2134 | K | 29.1 | Very low | 28.4 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | 58.6 | 121.6 | 127.6 | -96.6 | 175.5 | 177.3 | 172 | 0 | 117.5 | |||||
| 2135 | S | 29.2 | Very low | 28.3 | Very low | 106.8 Ų | 106.8 | 130.9 Ų | 130.9 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | trans | 164.4 | 123.1 | 134.4 | 152.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2136 | N | 27.3 | Very low | 28.4 | Very low | 142.4 Ų | 142.4 | 130.9 Ų | 130.9 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | 33.4 | 124.3 | 155.3 | -56.3 | -3.8 | 0 | 0 | 0 | 118.6 | ||||
| 2137 | N | 28 | Very low | 28.5 | Very low | 155.6 Ų | 155.6 | 131.3 Ų | 131.3 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -174.6 | 119.9 | 133.2 | -78.5 | -17.7 | 0 | 0 | 0 | 112.5 | ||||
| 2138 | N | 28.6 | Very low | 28.7 | Very low | 157.4 Ų | 157.4 | 128.9 Ų | 128.9 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | trans | -125.2 | 124.6 | 165.4 | -78.5 | -27.5 | 0 | 0 | 0 | 110.8 | P2140 | N2138-P2140 VanDerWaalsContact O-CD 3.26Å; N2138-P2140 WeakPolarHBondContact O-CD 3.33Å | ||
| 2139 | N | 28.7 | Very low | 29 | Very low | 152.4 Ų | 152.4 | 127 Ų | 127 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -102.3 | 131.5 | 163.1 | -83.1 | -19.4 | 0 | 0 | 0 | 110.7 | I2141 | N2139-I2141 PolarHBondContact O-N 3.03Š| ||
| 2140 | P | 29.5 | Very low | 29.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -77.5 | 126.6 | 164.3 | 32 | -31.3 | 0 | 0 | 0 | 110 | N2138 N2142 | N2138-P2140 VanDerWaalsContact O-CD 3.26Å; N2138-P2140 WeakPolarHBondContact O-CD 3.33Å; P2140-N2142 PolarHBondContact O-N 3.25Å; P2140-N2142 VanDerWaalsContact O-N 3.1Å | ||
| 2141 | I | 29.4 | Very low | 29.6 | Very low | 161.2 Ų | 161.2 | 124.5 Ų | 124.5 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | trans | -81.2 | 121.7 | 174 | -64.7 | 175.5 | 0 | 0 | 0 | 108.7 | N2139 S2143 | N2139-I2141 PolarHBondContact O-N 3.03Å; I2141-S2143 PolarHBondContact O-N 2.9Å; I2141-S2143 VanDerWaalsContact O-N 3.09Å | ||
| 2142 | N | 27.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | -78.3 | 121.6 | 178 | -85.9 | -37.3 | 0 | 0 | 0 | 111.3 | P2140 I2144 | P2140-N2142 PolarHBondContact O-N 3.25Å; P2140-N2142 VanDerWaalsContact O-N 3.1Å; N2142-I2144 HydrophobicContact CB-CD1 4.36Å; N2142-I2144 HydrophobicContact CB-CG1 4.34Å; N2142-I2144 PolarHBondContact O-N 3.05Å; N2142-I2144 VanDerWaalsContact O-N 3.12Å | ||
| 2143 | S | 26.1 | Very low | 30.1 | Very low | 104.6 Ų | 104.6 | 122.1 Ų | 122.1 | 73% | 0.731 | 68% | 0.684 | S | S | * | * | trans | -84 | 96.8 | 164.4 | 60.7 | 0 | 0 | 0 | 0 | 112 | I2141 N2145 | I2141-S2143 PolarHBondContact O-N 2.9Å; I2141-S2143 VanDerWaalsContact O-N 3.09Å; S2143-N2145 PolarHBondContact O-N 3.1Å; S2143-N2145 VanDerWaalsContact O-N 3.14Å | ||
| 2144 | I | 29 | Very low | 30.2 | Very low | 131.4 Ų | 131.4 | 117.8 Ų | 117.8 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | trans | -62.8 | 86.8 | 173.1 | -51.1 | 179.8 | 0 | 0 | 0 | 110.8 | N2142 L2146 | N2142-I2144 HydrophobicContact CB-CD1 4.36Å; N2142-I2144 HydrophobicContact CB-CG1 4.34Å; N2142-I2144 PolarHBondContact O-N 3.05Å; N2142-I2144 VanDerWaalsContact O-N 3.12Å; I2144-L2146 VanDerWaalsContact C-N 3.31Å; I2144-L2146 HydrophobicContact CB-CD1 4.16Å; I2144-L2146 HydrophobicContact CG2-CB 4.29Å; I2144-L2146 HydrophobicContact CG2-CD1 3.77Å; I2144-L2146 VanDerWaalsContact CG2-CD1 3.45Å; I2144-L2146 HydrophobicContact CG2-CG 4.19Å; I2144-L2146 PolarHBondContact O-N 3.17Å | ||
| 2145 | N | 26.5 | Very low | 30.4 | Very low | 146.6 Ų | 146.6 | 115.4 Ų | 115.4 | 78% | 0.784 | 65% | 0.654 | S | S | * | * | trans | -80.7 | 85.3 | 160.9 | -99 | -28.4 | 0 | 0 | 0 | 109.1 | S2143 T2147 | S2143-N2145 PolarHBondContact O-N 3.1Å; S2143-N2145 VanDerWaalsContact O-N 3.14Å; N2145-T2147 HydrophobicContact CB-CG2 4.33Å; N2145-T2147 PolarHBondContact O-N 3.2Å; N2145-T2147 VanDerWaalsContact O-N 3.16Å; N2145-T2147 WeakPolarHBondContact OD1-CG2 3.33Å | ||
| 2146 | L | 29.4 | Very low | 30.6 | Very low | 135.4 Ų | 135.4 | 118.5 Ų | 118.5 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | trans | -72.7 | 88 | 167.5 | -83.9 | 104.3 | 0 | 0 | 0 | 109.3 | I2144 S2148 | I2144-L2146 VanDerWaalsContact C-N 3.31Å; I2144-L2146 HydrophobicContact CB-CD1 4.16Å; I2144-L2146 HydrophobicContact CG2-CB 4.29Å; I2144-L2146 HydrophobicContact CG2-CD1 3.77Å; I2144-L2146 VanDerWaalsContact CG2-CD1 3.45Å; I2144-L2146 HydrophobicContact CG2-CG 4.19Å; I2144-L2146 PolarHBondContact O-N 3.17Å; L2146-S2148 PolarHBondContact O-N 3.15Å; L2146-S2148 VanDerWaalsContact O-N 3.14Å | ||
| 2147 | T | 30.3 | Very low | 30.7 | Very low | 93.6 Ų | 93.6 | 120.8 Ų | 120.8 | 57% | 0.574 | 65% | 0.65 | S | S | * | * | trans | -65.8 | 131.2 | 172 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | N2145 N2149 G2150 | N2145-T2147 HydrophobicContact CB-CG2 4.33Å; N2145-T2147 PolarHBondContact O-N 3.2Å; N2145-T2147 VanDerWaalsContact O-N 3.16Å; N2145-T2147 WeakPolarHBondContact OD1-CG2 3.33Å; T2147-N2149 PolarHBondContact O-N 3.14Å; T2147-N2149 VanDerWaalsContact O-N 3.08Å; T2147-G2150 PolarHBondContact O-N 3.09Å; T2147-G2150 VanDerWaalsContact O-N 3.15Å | ||
| 2148 | S | 32.5 | Very low | 30.9 | Very low | 74.4 Ų | 74.4 | 121.5 Ų | 121.5 | 52% | 0.52 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.1 | -21 | -175.6 | 146.5 | 0 | 0 | 0 | 0 | 114.3 | E1947 R1981 L2146 G2150 L2151 V2152 | E1947-S2148 PolarHBondContact OE1-OG 3.33Å; R1981-S2148 PolarHBondContact NH1-OG 3.35Å; L2146-S2148 PolarHBondContact O-N 3.15Å; L2146-S2148 VanDerWaalsContact O-N 3.14Å; S2148-G2150 VanDerWaalsContact C-N 3.27Å; S2148-G2150 PolarHBondContact O-N 3.23Å; S2148-G2150 VanDerWaalsContact O-N 3.14Å; S2148-L2151 CarbonylContact O-C 3.59Å; S2148-L2151 WeakPolarHBondContact O-CA 3.05Å; S2148-L2151 PolarHBondContact O-N 3.01Å; S2148-V2152 WeakPolarHBondContact O-CG2 3.2Å; S2148-V2152 PolarHBondContact O-N 3.16Å; S2148-V2152 VanDerWaalsContact O-N 3.1Å |
| 2149 | N | 31.9 | Very low | 30.9 | Very low | 111.2 Ų | 111.2 | 121.3 Ų | 121.3 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.1 | -26.9 | 176.6 | -61.1 | -12.6 | 0 | 0 | 0 | 113.4 | T2147 L2151 V2152 N2153 | T2147-N2149 PolarHBondContact O-N 3.14Å; T2147-N2149 VanDerWaalsContact O-N 3.08Å; N2149-L2151 VanDerWaalsContact C-N 3.32Å; N2149-L2151 PolarHBondContact O-N 2.94Å; N2149-V2152 PolarHBondContact O-N 3.25Å; N2149-V2152 VanDerWaalsContact O-N 3.1Å; N2149-N2153 VanDerWaalsContact O-CB 3.25Å; N2149-N2153 WeakPolarHBondContact O-CB 3.44Å; N2149-N2153 VanDerWaalsContact O-CG 3.23Å; N2149-N2153 PolarHBondContact O-N 2.98Å; N2149-N2153 VanDerWaalsContact O-N 3.16Å; N2149-N2153 PolarHBondContact O-ND2 2.95Å; N2149-N2153 PolarHBondContact O-OD1 3.16Å |
| 2150 | G | 33.6 | Very low | 30.8 | Very low | 43.8 Ų | 43.8 | 118.5 Ų | 118.5 | 45% | 0.452 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.7 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T2147 S2148 V2152 N2153 A2154 | T2147-G2150 PolarHBondContact O-N 3.09Å; T2147-G2150 VanDerWaalsContact O-N 3.15Å; S2148-G2150 VanDerWaalsContact C-N 3.27Å; S2148-G2150 PolarHBondContact O-N 3.23Å; S2148-G2150 VanDerWaalsContact O-N 3.14Å; G2150-V2152 PolarHBondContact O-N 2.63Å; G2150-V2152 VanDerWaalsContact O-N 3.08Å; G2150-N2153 PolarHBondContact O-N 2.88Å; G2150-A2154 VanDerWaalsContact O-CB 3.25Å; G2150-A2154 WeakPolarHBondContact O-CB 3.09Å; G2150-A2154 PolarHBondContact O-N 3.06Å |
| 2151 | L | 37.6 | Very low | 30.8 | Very low | 84.4 Ų | 84.4 | 118.4 Ų | 118.4 | 44% | 0.442 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76.5 | -27 | 176.5 | -71.5 | 171.9 | 0 | 0 | 0 | 112.3 | E1947 S2148 N2149 N2153 A2154 W2155 | E1947-L2151 HydrophobicContact CG-CD1 4.3Å; S2148-L2151 CarbonylContact O-C 3.59Å; S2148-L2151 WeakPolarHBondContact O-CA 3.05Å; S2148-L2151 PolarHBondContact O-N 3.01Å; N2149-L2151 VanDerWaalsContact C-N 3.32Å; N2149-L2151 PolarHBondContact O-N 2.94Å; L2151-N2153 VanDerWaalsContact C-N 3.32Å; L2151-N2153 PolarHBondContact O-N 3.21Å; L2151-A2154 WeakPolarHBondContact O-CB 3.36Å; L2151-A2154 PolarHBondContact O-N 3.08Å; L2151-A2154 VanDerWaalsContact O-N 3.14Å; L2151-W2155 VanDerWaalsContact C-NE1 3.27Å; L2151-W2155 VanDerWaalsContact CA-NE1 3.35Å; L2151-W2155 HydrophobicContact CD2-CZ2 4.27Å; L2151-W2155 PolarHBondContact O-N 3.4Å; L2151-W2155 PolarHBondContact O-NE1 2.9Å |
| 2152 | V | 35.5 | Very low | 30.8 | Very low | 63.4 Ų | 63.4 | 117.4 Ų | 117.4 | 38% | 0.384 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76.2 | -42 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | S2148 N2149 G2150 A2154 W2155 Y2156 | S2148-V2152 WeakPolarHBondContact O-CG2 3.2Å; S2148-V2152 PolarHBondContact O-N 3.16Å; S2148-V2152 VanDerWaalsContact O-N 3.1Å; N2149-V2152 PolarHBondContact O-N 3.25Å; N2149-V2152 VanDerWaalsContact O-N 3.1Å; G2150-V2152 PolarHBondContact O-N 2.63Å; G2150-V2152 VanDerWaalsContact O-N 3.08Å; V2152-A2154 VanDerWaalsContact C-N 3.33Å; V2152-A2154 PolarHBondContact O-N 3.01Å; V2152-W2155 VanDerWaalsContact O-CB 3.29Å; V2152-W2155 WeakPolarHBondContact O-CB 3.41Å; V2152-W2155 PolarHBondContact O-N 3.1Å; V2152-W2155 VanDerWaalsContact O-N 3.13Å; V2152-Y2156 HydrophobicContact CG1-CD2 3.8Å; V2152-Y2156 HydrophobicContact CG1-CE2 3.95Å; V2152-Y2156 WeakPolarHBondContact O-CB 3.42Å; V2152-Y2156 WeakPolarHBondContact O-CD2 3.4Å; V2152-Y2156 PolarHBondContact O-N 3.36Å |
| 2153 | N | 32.3 | Very low | 30.8 | Very low | 109.6 Ų | 109.6 | 117.6 Ų | 117.6 | 59% | 0.586 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.3 | -30.9 | 178.9 | -69.9 | -13.2 | 0 | 0 | 0 | 113 | N2149 G2150 L2151 W2155 Y2156 Y2157 | N2149-N2153 VanDerWaalsContact O-CB 3.25Å; N2149-N2153 WeakPolarHBondContact O-CB 3.44Å; N2149-N2153 VanDerWaalsContact O-CG 3.23Å; N2149-N2153 PolarHBondContact O-N 2.98Å; N2149-N2153 VanDerWaalsContact O-N 3.16Å; N2149-N2153 PolarHBondContact O-ND2 2.95Å; N2149-N2153 PolarHBondContact O-OD1 3.16Å; G2150-N2153 PolarHBondContact O-N 2.88Å; L2151-N2153 VanDerWaalsContact C-N 3.32Å; L2151-N2153 PolarHBondContact O-N 3.21Å; N2153-W2155 VanDerWaalsContact C-N 3.34Å; N2153-W2155 PolarHBondContact O-N 3.11Å; N2153-Y2156 PolarHBondContact O-N 2.97Å; N2153-Y2157 WeakPolarHBondContact O-CB 3.49Å; N2153-Y2157 PolarHBondContact O-N 2.76Å |
| 2154 | A | 32.2 | Very low | 30.9 | Very low | 52.6 Ų | 52.6 | 119.2 Ų | 119.2 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.1 | -31.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G2150 L2151 V2152 Y2156 Y2157 Y2158 | G2150-A2154 VanDerWaalsContact O-CB 3.25Å; G2150-A2154 WeakPolarHBondContact O-CB 3.09Å; G2150-A2154 PolarHBondContact O-N 3.06Å; L2151-A2154 WeakPolarHBondContact O-CB 3.36Å; L2151-A2154 PolarHBondContact O-N 3.08Å; L2151-A2154 VanDerWaalsContact O-N 3.14Å; V2152-A2154 VanDerWaalsContact C-N 3.33Å; V2152-A2154 PolarHBondContact O-N 3.01Å; A2154-Y2156 VanDerWaalsContact C-N 3.32Å; A2154-Y2156 PolarHBondContact O-N 2.95Å; A2154-Y2157 PolarHBondContact O-N 3.26Å; A2154-Y2157 VanDerWaalsContact O-N 3.08Å; A2154-Y2158 WeakPolarHBondContact O-CD2 3.31Å; A2154-Y2158 PolarHBondContact O-N 3.3Å |
| 2155 | W | 33.1 | Very low | 31.1 | Very low | 147.8 Ų | 147.8 | 118 Ų | 118 | 56% | 0.56 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.2 | -35.5 | 177.8 | -84.7 | 87.8 | 0 | 0 | 0 | 113.1 | Y1914 L2151 V2152 N2153 Y2157 Y2158 Q2159 | Y1914-W2155 AromaticContact CE1-CD1 3.82Å; Y1914-W2155 AromaticContact CE1-NE1 3.2Å; Y1914-W2155 AromaticContact CZ-NE1 3.4Å; Y1914-W2155 PolarHBondContact OH-NE1 3.19Å; L2151-W2155 VanDerWaalsContact C-NE1 3.27Å; L2151-W2155 VanDerWaalsContact CA-NE1 3.35Å; L2151-W2155 HydrophobicContact CD2-CZ2 4.27Å; L2151-W2155 PolarHBondContact O-N 3.4Å; L2151-W2155 PolarHBondContact O-NE1 2.9Å; V2152-W2155 VanDerWaalsContact O-CB 3.29Å; V2152-W2155 WeakPolarHBondContact O-CB 3.41Å; V2152-W2155 PolarHBondContact O-N 3.1Å; V2152-W2155 VanDerWaalsContact O-N 3.13Å; N2153-W2155 VanDerWaalsContact C-N 3.34Å; N2153-W2155 PolarHBondContact O-N 3.11Å; W2155-Y2157 VanDerWaalsContact C-N 3.3Å; W2155-Y2157 PolarHBondContact O-N 3.14Å; W2155-Y2157 VanDerWaalsContact O-N 3.16Å; W2155-Y2158 PolarHBondContact O-N 3.34Å; W2155-Y2158 VanDerWaalsContact O-N 3.17Å; W2155-Q2159 PolarHBondContact O-N 3.04Å |
| 2156 | Y | 33 | Very low | 31.4 | Very low | 172 Ų | 172 | 116.2 Ų | 116.2 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.7 | -22.4 | 177 | -95.7 | -88.8 | 0 | 0 | 0 | 114 | V2152 N2153 A2154 Y2158 | V2152-Y2156 HydrophobicContact CG1-CD2 3.8Å; V2152-Y2156 HydrophobicContact CG1-CE2 3.95Å; V2152-Y2156 WeakPolarHBondContact O-CB 3.42Å; V2152-Y2156 WeakPolarHBondContact O-CD2 3.4Å; V2152-Y2156 PolarHBondContact O-N 3.36Å; N2153-Y2156 PolarHBondContact O-N 2.97Å; A2154-Y2156 VanDerWaalsContact C-N 3.32Å; A2154-Y2156 PolarHBondContact O-N 2.95Å; Y2156-Y2158 VanDerWaalsContact C-N 3.29Å; Y2156-Y2158 PolarHBondContact O-N 3.23Å |
| 2157 | Y | 30.6 | Very low | 31.5 | Very low | 189.4 Ų | 189.4 | 115.7 Ų | 115.7 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.8 | -15.3 | 177.7 | -107.3 | -87.7 | 0 | 0 | 0 | 114.5 | N2153 A2154 W2155 Q2159 | N2153-Y2157 WeakPolarHBondContact O-CB 3.49Å; N2153-Y2157 PolarHBondContact O-N 2.76Å; A2154-Y2157 PolarHBondContact O-N 3.26Å; A2154-Y2157 VanDerWaalsContact O-N 3.08Å; W2155-Y2157 VanDerWaalsContact C-N 3.3Å; W2155-Y2157 PolarHBondContact O-N 3.14Å; W2155-Y2157 VanDerWaalsContact O-N 3.16Å; Y2157-Q2159 VanDerWaalsContact C-N 3.29Å; Y2157-Q2159 PolarHBondContact O-N 3.2Å |
| 2158 | Y | 31.5 | Very low | 31.5 | Very low | 172 Ų | 172 | 117.6 Ų | 117.6 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | trans | -96.9 | 25.7 | 179.8 | -91.3 | -82.5 | 0 | 0 | 0 | 114.1 | A2154 W2155 Y2156 S2160 V2161 | A2154-Y2158 WeakPolarHBondContact O-CD2 3.31Å; A2154-Y2158 PolarHBondContact O-N 3.3Å; W2155-Y2158 PolarHBondContact O-N 3.34Å; W2155-Y2158 VanDerWaalsContact O-N 3.17Å; Y2156-Y2158 VanDerWaalsContact C-N 3.29Å; Y2156-Y2158 PolarHBondContact O-N 3.23Å; Y2158-S2160 VanDerWaalsContact C-N 3.31Å; Y2158-S2160 PolarHBondContact O-N 3.3Å; Y2158-S2160 VanDerWaalsContact O-N 3.09Å; Y2158-V2161 HydrophobicContact CD1-CG2 4.29Å; Y2158-V2161 HydrophobicContact CE1-CG2 4.37Å | ||
| 2159 | Q | 29 | Very low | 31.4 | Very low | 152.4 Ų | 152.4 | 120.7 Ų | 120.7 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | trans | -77.2 | 75.4 | 177.5 | -162.1 | 163 | 32 | 0 | 0 | 112.6 | W2155 Y2157 V2161 | W2155-Q2159 PolarHBondContact O-N 3.04Å; Y2157-Q2159 VanDerWaalsContact C-N 3.29Å; Y2157-Q2159 PolarHBondContact O-N 3.2Å; Q2159-V2161 VanDerWaalsContact C-N 3.25Å; Q2159-V2161 PolarHBondContact O-N 3.36Å | ||
| 2160 | S | 27.2 | Very low | 31.2 | Very low | 93.6 Ų | 93.6 | 124.9 Ų | 124.9 | 66% | 0.655 | 66% | 0.658 | S | S | * | * | trans | -32.2 | 60.9 | 177.2 | -53.3 | 0 | 0 | 0 | 0 | 116.7 | Y2158 N2162 Y2218 | Y2158-S2160 VanDerWaalsContact C-N 3.31Å; Y2158-S2160 PolarHBondContact O-N 3.3Å; Y2158-S2160 VanDerWaalsContact O-N 3.09Å; S2160-N2162 PolarHBondContact O-N 3.27Å; S2160-Y2218 WeakPolarHBondContact CB-OH 3.42Å; S2160-Y2218 PolarHBondContact OG-OH 2.97Å | ||
| 2161 | V | 29.1 | Very low | 31.1 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | trans | -104.8 | 78.2 | 170.1 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | Y2158 Q2159 L2163 | Y2158-V2161 HydrophobicContact CD1-CG2 4.29Å; Y2158-V2161 HydrophobicContact CE1-CG2 4.37Å; Q2159-V2161 VanDerWaalsContact C-N 3.25Å; Q2159-V2161 PolarHBondContact O-N 3.36Å; V2161-L2163 HydrophobicContact CB-CD1 4.38Å; V2161-L2163 HydrophobicContact CG1-CD1 3.73Å; V2161-L2163 HydrophobicContact CG1-CG 4.07Å; V2161-L2163 PolarHBondContact O-N 3.14Å | ||
| 2162 | N | 28.3 | Very low | 30.9 | Very low | 140.2 Ų | 140.2 | 127.9 Ų | 127.9 | 75% | 0.75 | 68% | 0.681 | S | S | * | * | trans | -102.2 | 89.1 | 170.8 | -83.5 | -54.5 | 0 | 0 | 0 | 110.6 | S2160 L2164 | S2160-N2162 PolarHBondContact O-N 3.27Å; N2162-L2164 PolarHBondContact O-N 3.33Å; N2162-L2164 VanDerWaalsContact O-N 3.15Å | ||
| 2163 | L | 27.4 | Very low | 30.7 | Very low | 139.2 Ų | 139.2 | 132.6 Ų | 132.6 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | trans | -101.1 | 61.2 | 173.8 | -91.5 | 150.9 | 0 | 0 | 0 | 112 | V2161 M2221 M2357 T2358 | V2161-L2163 HydrophobicContact CB-CD1 4.38Å; V2161-L2163 HydrophobicContact CG1-CD1 3.73Å; V2161-L2163 HydrophobicContact CG1-CG 4.07Å; V2161-L2163 PolarHBondContact O-N 3.14Å; L2163-M2221 VanDerWaalsContact O-CE 3.32Å; L2163-M2221 WeakPolarHBondContact O-CE 3.4Å; L2163-M2357 HydrophobicContact CB-CE 3.76Å; L2163-M2357 WeakPolarHBondContact O-CE 3.48Å; L2163-T2358 WeakPolarHBondContact CD1-O 3.37Å | ||
| 2164 | L | 29.6 | Very low | 30.8 | Very low | 138.2 Ų | 138.2 | 135.9 Ų | 135.9 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | trans | -130.1 | 121.9 | 159.2 | -152.4 | 73.6 | 0 | 0 | 0 | 110.4 | N2162 M2221 | N2162-L2164 PolarHBondContact O-N 3.33Å; N2162-L2164 VanDerWaalsContact O-N 3.15Å; L2164-M2221 HydrophobicContact CD1-CE 4.15Å | ||
| 2165 | P | 32 | Very low | 30.9 | Very low | 104.2 Ų | 104.2 | 137.8 Ų | 137.8 | 68% | 0.677 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 141.5 | 173.9 | 12.4 | -9.3 | 0 | 0 | 0 | 111.2 | ||
| 2166 | P | 32.5 | Very low | 30.9 | Very low | 109.8 Ų | 109.8 | 138.1 Ų | 138.1 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 147.6 | 172.9 | 29.8 | -34.3 | 0 | 0 | 0 | 111.2 | V2168 | P2166-V2168 HydrophobicContact CG-CG2 4.47Å; P2166-V2168 PolarHBondContact O-N 3.14Å |
| 2167 | P | 31.5 | Very low | 31 | Very low | 125.2 Ų | 125.2 | 136.7 Ų | 136.7 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 122.3 | -178.4 | 29.5 | -34.4 | 0 | 0 | 0 | 111.9 | ||
| 2168 | V | 30 | Very low | 30.9 | Very low | 133.8 Ų | 133.8 | 134.4 Ų | 134.4 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 121 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | P2166 | P2166-V2168 HydrophobicContact CG-CG2 4.47Å; P2166-V2168 PolarHBondContact O-N 3.14Å |
| 2169 | V | 32.4 | Very low | 31 | Very low | 139.4 Ų | 139.4 | 133.1 Ų | 133.1 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | -101.9 | 127.9 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 2170 | R | 27.6 | Very low | 31 | Very low | 199.2 Ų | 199.2 | 132.8 Ų | 132.8 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -95.6 | 137.2 | 179.6 | -132.2 | -172.4 | -103.4 | -177.3 | -0.7 | 110.9 | D2172 F2353 N2354 | R2170-D2172 VanDerWaalsContact CD-OD1 3.25Å; R2170-D2172 WeakPolarHBondContact CD-OD1 3.42Å; R2170-D2172 WeakPolarHBondContact CD-OD2 3.44Å; R2170-D2172 WeakPolarHBondContact CG-OD1 3.35Å; R2170-D2172 IonicContact NH1-OD1 3.85Å; R2170-D2172 IonicContact NH1-OD2 3.54Å; R2170-F2353 VanDerWaalsContact CD-CD1 3.43Å; R2170-N2354 VanDerWaalsContact NH1-N 3.12Å; R2170-N2354 PolarHBondContact NH1-O 3.35Å; R2170-N2354 PolarHBondContact NH2-O 3.27Å | ||
| 2171 | G | 31.2 | Very low | 31.1 | Very low | 72.2 Ų | 72.2 | 135.8 Ų | 135.8 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | -127.1 | 114.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2172 | D | 31.9 | Very low | 31.1 | Very low | 118.6 Ų | 118.6 | 138.9 Ų | 138.9 | 63% | 0.634 | 73% | 0.73 | S | S | * | * | trans | -109 | 142.6 | 175.6 | -84.9 | -48.3 | 0 | 0 | 0 | 114.4 | R2170 F2353 | R2170-D2172 VanDerWaalsContact CD-OD1 3.25Å; R2170-D2172 WeakPolarHBondContact CD-OD1 3.42Å; R2170-D2172 WeakPolarHBondContact CD-OD2 3.44Å; R2170-D2172 WeakPolarHBondContact CG-OD1 3.35Å; R2170-D2172 IonicContact NH1-OD1 3.85Å; R2170-D2172 IonicContact NH1-OD2 3.54Å; D2172-F2353 HydrophobicContact CB-CD2 3.48Å; D2172-F2353 VanDerWaalsContact CB-CD2 3.48Å; D2172-F2353 HydrophobicContact CB-CE2 3.26Å; D2172-F2353 HydrophobicContact CB-CG 4.35Å; D2172-F2353 HydrophobicContact CB-CZ 4Å; D2172-F2353 VanDerWaalsContact CG-CG 3.48Å; D2172-F2353 WeakPolarHBondContact OD1-CD2 3.42Å; D2172-F2353 WeakPolarHBondContact OD1-CG 3.15Å; D2172-F2353 WeakPolarHBondContact OD2-CD2 3.4Å; D2172-F2353 WeakPolarHBondContact OD2-CG 3.34Å | ||
| 2173 | Q | 33.3 | Very low | 31.4 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 77.9 | 132.6 | 163.6 | -79.1 | 157.8 | 50.2 | 0 | 0 | 118.3 | G2352 F2353 | Q2173-G2352 PolarHBondContact NE2-O 3.38Å; Q2173-F2353 HydrophobicContact CB-CE2 4.21Å; Q2173-F2353 HydrophobicContact CG-CD2 4.46Å; Q2173-F2353 HydrophobicContact CG-CE2 3.67Å; Q2173-F2353 VanDerWaalsContact N-CE2 3.32Å; Q2173-F2353 VanDerWaalsContact NE2-CD2 3.31Å | ||
| 2174 | Q | 32.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | 94.7 | 162.9 | 115.8 | -94.7 | -163.6 | -38.4 | 0 | 0 | 117.1 | |||||
| 2175 | P | 35 | Very low | 31.5 | Very low | 91.4 Ų | 91.4 | 137.2 Ų | 137.2 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | -125 | -177.1 | -108.9 | 40.2 | -27.7 | 0 | 0 | 0 | 115.1 | |||||
| 2176 | H | 34 | Very low | 31.3 | Very low | 153.6 Ų | 153.6 | 139 Ų | 139 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 153.4 | 143.3 | 134.3 | -87.9 | -64.7 | 0 | 0 | 0 | 116.2 | ||||
| 2177 | H | 34.1 | Very low | 31.1 | Very low | 143.2 Ų | 143.2 | 139 Ų | 139 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | trans | 51.1 | 145.9 | 147.8 | -71.1 | -47.1 | 0 | 0 | 0 | 119.6 | ||||
| 2178 | Q | 29.6 | Very low | 31.1 | Very low | 140.4 Ų | 140.4 | 143 Ų | 143 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | cis | 147.9 | 147.7 | 19.8 | -110.7 | 175.5 | -34.5 | 0 | 0 | 113.9 | ||||
| 2179 | H | 31.8 | Very low | 31.1 | Very low | 146.2 Ų | 146.2 | 139.7 Ų | 139.7 | 68% | 0.677 | 71% | 0.712 | S | S | * | * | trans | 72 | 148.9 | 158.6 | -70.9 | -58.6 | 0 | 0 | 0 | 117 | ||||
| 2180 | Q | 28.9 | Very low | 30.9 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | cis | 151.8 | 137.8 | 4.3 | -178 | 162.3 | -13.2 | 0 | 0 | 112.2 | ||||
| 2181 | E | 30.7 | Very low | 31.1 | Very low | 157.4 Ų | 157.4 | 133 Ų | 133 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | 113.2 | 130.1 | 141.2 | -102.3 | 161 | -167 | 0 | 0 | 118.1 | ||||
| 2182 | Q | 29.4 | Very low | 30.9 | Very low | 177.6 Ų | 177.6 | 137.4 Ų | 137.4 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | trans | 82.6 | 157 | 144.5 | -85.7 | -156.4 | 31.7 | 0 | 0 | 119.2 | ||||
| 2183 | P | 33.5 | Very low | 30.8 | Very low | 103.2 Ų | 103.2 | 139.3 Ų | 139.3 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | trans | -113.7 | -176.2 | -155.2 | 42.4 | -30.7 | 0 | 0 | 0 | 114.3 | ||||
| 2184 | N | 30.5 | Very low | 30.5 | Very low | 139.8 Ų | 139.8 | 136.4 Ų | 136.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | 158.7 | 148.7 | 155.6 | -93 | -36.7 | 0 | 0 | 0 | 114.9 | ||||
| 2185 | Q | 28.6 | Very low | 30.3 | Very low | 138.8 Ų | 138.8 | 133.3 Ų | 133.3 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | trans | -96 | 150.6 | 168.5 | -81 | 173.4 | 24.1 | 0 | 0 | 115.9 | R1752 | R1752-Q2185 PolarHBondContact O-OE1 2.79Š| ||
| 2186 | L | 29.1 | Very low | 30 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | 164.6 | 127.7 | 125 | -79.7 | 148.8 | 0 | 0 | 0 | 111.7 | |||||
| 2187 | M | 26.9 | Very low | 29.6 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 55% | 0.547 | 72% | 0.721 | S | S | . | * | 96.3 | 135.4 | 79.4 | -128.9 | -120.1 | 78.8 | 0 | 0 | 116.3 | T1753 N1754 F1755 | T1753-M2187 HydrophobicContact CG2-CE 4.33Å; T1753-M2187 HydrophobicContact CG2-SD 4.33Å; T1753-M2187 WeakPolarHBondContact OG1-CG 3.47Å; N1754-M2187 HydrophobicContact CB-CG 4.27Å; N1754-M2187 HydrophobicContact CB-SD 3.73Å; N1754-M2187 PolarHBondContact ND2-SD 3.24Å; N1754-M2187 WeakPolarHBondContact O-CA 3.36Å; N1754-M2187 PolarHBondContact O-N 3.07Å; F1755-M2187 HydrophobicContact CD2-SD 4.21Å | |||
| 2188 | Y | 31.4 | Very low | 29.4 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | trans | 106.1 | 140 | 168.5 | -78.8 | -78.2 | 0 | 0 | 0 | 111.6 | F1755 | F1755-Y2188 WeakPolarHBondContact CB-O 3.49Å; F1755-Y2188 VanDerWaalsContact CD2-C 3.41Å; F1755-Y2188 WeakPolarHBondContact CG-O 3.23Å | ||
| 2189 | G | 30.5 | Very low | 29.3 | Very low | 64.6 Ų | 64.6 | 135.4 Ų | 135.4 | 67% | 0.666 | 73% | 0.729 | S | S | * | * | cis | 162.4 | 120.6 | 18.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1755 | F1755-G2189 WeakPolarHBondContact CE1-O 3.26Å; F1755-G2189 VanDerWaalsContact CZ-C 3.44Å; F1755-G2189 VanDerWaalsContact CZ-CA 3.47Å | ||
| 2190 | A | 29.2 | Very low | 29.1 | Very low | 90.4 Ų | 90.4 | 137.8 Ų | 137.8 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | trans | -111.1 | 143.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1755 | F1755-A2190 HydrophobicContact CE1-CB 3.78Å; F1755-A2190 HydrophobicContact CZ-CB 3.8Å | ||
| 2191 | S | 30.1 | Very low | 29 | Very low | 108.6 Ų | 108.6 | 136.3 Ų | 136.3 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 152.5 | 142.8 | 152.4 | -69.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2192 | M | 29 | Very low | 28.9 | Very low | 163.2 Ų | 163.2 | 132.2 Ų | 132.2 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | 144.3 | 139.6 | 80.3 | -76.1 | -62.3 | 178.7 | 0 | 0 | 115.2 | |||||
| 2193 | L | 27.9 | Very low | 29 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 71.9 | 123.3 | 143.1 | -67.6 | 165 | 0 | 0 | 0 | 117.2 | ||||
| 2194 | S | 27.5 | Very low | 28.8 | Very low | 101.6 Ų | 101.6 | 133.5 Ų | 133.5 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | 113.2 | 130.1 | 110.2 | -122.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 2195 | P | 29.4 | Very low | 28.7 | Very low | 114.8 Ų | 114.8 | 134.4 Ų | 134.4 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | -92.7 | 156.3 | 173.5 | 36.2 | -30.9 | 0 | 0 | 0 | 112 | N2197 | P2195-N2197 PolarHBondContact O-N 3.07Š| ||
| 2196 | V | 27.9 | Very low | 28.7 | Very low | 122.2 Ų | 122.2 | 131.6 Ų | 131.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -114.6 | 122.7 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 111 | F2198 | V2196-F2198 HydrophobicContact CG1-CD2 3.89Å; V2196-F2198 VanDerWaalsContact CG1-CD2 3.5Å; V2196-F2198 HydrophobicContact CG1-CE2 4.08Å; V2196-F2198 HydrophobicContact CG1-CG 4.05Å; V2196-F2198 HydrophobicContact CG1-CZ 4.32Å; V2196-F2198 PolarHBondContact O-N 3.27Å | ||
| 2197 | N | 26.4 | Very low | 28.7 | Very low | 135.4 Ų | 135.4 | 133.3 Ų | 133.3 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -122.1 | 128.4 | 165 | -165.9 | -1.6 | 0 | 0 | 0 | 110.2 | P2195 N2199 | P2195-N2197 PolarHBondContact O-N 3.07Å; N2197-N2199 VanDerWaalsContact C-N 3.34Å; N2197-N2199 PolarHBondContact O-N 3.21Å; N2197-N2199 VanDerWaalsContact O-N 3.1Å | ||
| 2198 | F | 28.5 | Very low | 28.7 | Very low | 189.4 Ų | 189.4 | 136.5 Ų | 136.5 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -133 | 114.3 | 171.5 | -96.3 | -71.8 | 0 | 0 | 0 | 109.9 | V2196 Y2200 | V2196-F2198 HydrophobicContact CG1-CD2 3.89Å; V2196-F2198 VanDerWaalsContact CG1-CD2 3.5Å; V2196-F2198 HydrophobicContact CG1-CE2 4.08Å; V2196-F2198 HydrophobicContact CG1-CG 4.05Å; V2196-F2198 HydrophobicContact CG1-CZ 4.32Å; V2196-F2198 PolarHBondContact O-N 3.27Å; F2198-Y2200 AromaticContact CD1-CD2 3.99Å; F2198-Y2200 HydrophobicContact CD1-CD2 3.99Å; F2198-Y2200 HydrophobicContact CD1-CE2 4.28Å; F2198-Y2200 HydrophobicContact CE1-CD2 4.16Å; F2198-Y2200 AromaticContact CE1-CE2 3.97Å; F2198-Y2200 HydrophobicContact CE1-CE2 3.97Å | ||
| 2199 | N | 28 | Very low | 28.4 | Very low | 124.6 Ų | 124.6 | 134.2 Ų | 134.2 | 67% | 0.666 | 77% | 0.77 | S | S | * | * | trans | -129.3 | 130.4 | 175.8 | -132.2 | -8.4 | 0 | 0 | 0 | 113 | N2197 | N2197-N2199 VanDerWaalsContact C-N 3.34Å; N2197-N2199 PolarHBondContact O-N 3.21Å; N2197-N2199 VanDerWaalsContact O-N 3.1Å | ||
| 2200 | Y | 27.7 | Very low | 28.4 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 40.9 | 135.2 | 159.5 | -87.6 | -89.7 | 0 | 0 | 0 | 117.6 | F2198 L2215 | F2198-Y2200 AromaticContact CD1-CD2 3.99Å; F2198-Y2200 HydrophobicContact CD1-CD2 3.99Å; F2198-Y2200 HydrophobicContact CD1-CE2 4.28Å; F2198-Y2200 HydrophobicContact CE1-CD2 4.16Å; F2198-Y2200 AromaticContact CE1-CE2 3.97Å; F2198-Y2200 HydrophobicContact CE1-CE2 3.97Å; Y2200-L2215 HydrophobicContact CE2-CD2 3.56Å; Y2200-L2215 HydrophobicContact CE2-CG 4.34Å; Y2200-L2215 WeakPolarHBondContact OH-CD2 3.28Å; Y2200-L2215 VanDerWaalsContact OH-CG 3.32Å; Y2200-L2215 WeakPolarHBondContact OH-CG 3.49Å | ||
| 2201 | S | 27.8 | Very low | 28.2 | Very low | 114.5 Ų | 114.5 | 141.1 Ų | 141.1 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | -174.2 | 162.3 | 114.6 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2202 | G | 28.7 | Very low | 28 | Very low | 71.25 Ų | 71.25 | 145 Ų | 145 | 74% | 0.735 | 77% | 0.769 | S | S | * | * | trans | 137.4 | 123.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2203 | F | 30.2 | Very low | 27.9 | Very low | 197.75 Ų | 197.75 | 142.4 Ų | 142.4 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -93.3 | 161.9 | 158.2 | -92.3 | -89.8 | 0 | 0 | 0 | 113.4 | L2205 | F2203-L2205 HydrophobicContact CB-CD1 3.96Š| ||
| 2204 | P | 30.6 | Very low | 27.9 | Very low | 110.5 Ų | 110.5 | 139.7 Ų | 139.7 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -132.3 | 159.1 | 147 | 38.8 | -24.1 | 0 | 0 | 0 | 116.1 | ||||
| 2205 | L | 27.1 | Very low | 28 | Very low | 158.25 Ų | 158.25 | 141.3 Ų | 141.3 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | 47.3 | 117.9 | 149.8 | -79.2 | 78.5 | 0 | 0 | 0 | 118.4 | F2203 | F2203-L2205 HydrophobicContact CB-CD1 3.96Š| ||
| 2206 | G | 29.8 | Very low | 28.1 | Very low | 78.75 Ų | 78.75 | 140.7 Ų | 140.7 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -156.2 | 101.5 | 158 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q2208 | G2206-Q2208 PolarHBondContact O-N 3.27Š| ||
| 2207 | Q | 28 | Very low | 28.1 | Very low | 177.5 Ų | 177.5 | 144.8 Ų | 144.8 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -74.3 | 141.7 | -178.7 | -58.9 | -179.5 | 19.3 | 0 | 0 | 111.6 | ||||
| 2208 | Q | 27.5 | Very low | 28 | Very low | 178.5 Ų | 178.5 | 147.8 Ų | 147.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | -145.5 | 158 | 87.8 | -82.7 | -172.7 | -5.1 | 0 | 0 | 112.6 | G2206 | G2206-Q2208 PolarHBondContact O-N 3.27Š| |||
| 2209 | Q | 25.2 | Very low | 28 | Very low | 160.5 Ų | 160.5 | 146.5 Ų | 146.5 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | trans | -78 | 146.1 | 172.5 | -61.8 | 172.3 | -6.8 | 0 | 0 | 113.1 | ||||
| 2210 | H | 29.4 | Very low | 28 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | -171.9 | 134.9 | 129.4 | -79.4 | -57.5 | 0 | 0 | 0 | 113.2 | Y2212 | H2210-Y2212 WeakPolarHBondContact O-CD2 3.34Å; H2210-Y2212 PolarHBondContact O-N 3.45Å | |||
| 2211 | Q | 25 | Very low | 28 | Very low | 146.5 Ų | 146.5 | 145.4 Ų | 145.4 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -43.6 | 150.3 | 157 | -84.9 | 155.1 | -57.8 | 0 | 0 | 113.7 | ||||
| 2212 | Y | 27.6 | Very low | 28 | Very low | 190.25 Ų | 190.25 | 146.9 Ų | 146.9 | 75% | 0.746 | 76% | 0.76 | S | S | * | * | trans | -167.8 | 146 | 147 | -88 | -75.9 | 0 | 0 | 0 | 112.1 | H2210 | H2210-Y2212 WeakPolarHBondContact O-CD2 3.34Å; H2210-Y2212 PolarHBondContact O-N 3.45Å | ||
| 2213 | T | 26.3 | Very low | 27.9 | Very low | 107.75 Ų | 107.75 | 148.5 Ų | 148.5 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -74.4 | 132 | 168.9 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L2215 | T2213-L2215 VanDerWaalsContact C-N 3.25Å; T2213-L2215 PolarHBondContact O-N 3.14Å | ||
| 2214 | S | 28.5 | Very low | 27.8 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | -116.5 | 130.3 | 152.6 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | W2866 | S2214-W2866 VanDerWaalsContact C-CZ2 3.44Å; S2214-W2866 WeakPolarHBondContact OG-CZ2 3.49Å | ||
| 2215 | L | 28.8 | Very low | 27.7 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | trans | -118.9 | 149.7 | 148.6 | -90.6 | 154.7 | 0 | 0 | 0 | 110.6 | Y2200 T2213 Y2217 W2866 | Y2200-L2215 HydrophobicContact CE2-CD2 3.56Å; Y2200-L2215 HydrophobicContact CE2-CG 4.34Å; Y2200-L2215 WeakPolarHBondContact OH-CD2 3.28Å; Y2200-L2215 VanDerWaalsContact OH-CG 3.32Å; Y2200-L2215 WeakPolarHBondContact OH-CG 3.49Å; T2213-L2215 VanDerWaalsContact C-N 3.25Å; T2213-L2215 PolarHBondContact O-N 3.14Å; L2215-Y2217 PolarHBondContact O-N 2.85Å; L2215-W2866 PolarHBondContact O-NE1 3.26Å | ||
| 2216 | P | 30.5 | Very low | 27.8 | Very low | 101.75 Ų | 101.75 | 147.9 Ų | 147.9 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | -93.3 | 134.6 | 166.6 | 27.2 | -22.6 | 0 | 0 | 0 | 112.2 | Y2218 W2866 | P2216-Y2218 PolarHBondContact O-N 3.18Å; P2216-W2866 VanDerWaalsContact CG-CD1 3.43Å | ||
| 2217 | Y | 27.9 | Very low | 27.8 | Very low | 208.5 Ų | 208.5 | 149.7 Ų | 149.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -86.6 | 110.4 | 167.5 | -89.5 | -84.1 | 0 | 0 | 0 | 114.7 | L2215 M2219 | L2215-Y2217 PolarHBondContact O-N 2.85Å; Y2217-M2219 HydrophobicContact CD1-CE 4.46Å; Y2217-M2219 PolarHBondContact O-N 2.97Å | ||
| 2218 | Y | 25.7 | Very low | 28 | Very low | 198.25 Ų | 198.25 | 150.3 Ų | 150.3 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -81.6 | 111.9 | 152.8 | -107.9 | -91.8 | 0 | 0 | 0 | 109.8 | S2160 P2216 N2220 | S2160-Y2218 WeakPolarHBondContact CB-OH 3.42Å; S2160-Y2218 PolarHBondContact OG-OH 2.97Å; P2216-Y2218 PolarHBondContact O-N 3.18Å; Y2218-N2220 VanDerWaalsContact C-N 3.3Å; Y2218-N2220 PolarHBondContact O-N 3.41Å | ||
| 2219 | M | 28.7 | Very low | 28 | Very low | 162.75 Ų | 162.75 | 146.7 Ų | 146.7 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -121.2 | 102.9 | 163.6 | -89.9 | -65.1 | 175.9 | 0 | 0 | 109.8 | Y2217 M2221 | Y2217-M2219 HydrophobicContact CD1-CE 4.46Å; Y2217-M2219 PolarHBondContact O-N 2.97Å; M2219-M2221 PolarHBondContact O-N 3.15Å | ||
| 2220 | N | 27.3 | Very low | 28.1 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -103.1 | 106.1 | 172.9 | -116.8 | -13.7 | 0 | 0 | 0 | 110.2 | Y2218 L2222 | Y2218-N2220 VanDerWaalsContact C-N 3.3Å; Y2218-N2220 PolarHBondContact O-N 3.41Å; N2220-L2222 PolarHBondContact O-N 3.41Å | ||
| 2221 | M | 27.7 | Very low | 28.1 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -114.6 | 91.9 | 171.5 | -85 | -69.4 | -99.4 | 0 | 0 | 111.1 | L2163 L2164 M2219 Y2340 | L2163-M2221 VanDerWaalsContact O-CE 3.32Å; L2163-M2221 WeakPolarHBondContact O-CE 3.4Å; L2164-M2221 HydrophobicContact CD1-CE 4.15Å; M2219-M2221 PolarHBondContact O-N 3.15Å; M2221-Y2340 WeakPolarHBondContact CE-OH 3.42Å | ||
| 2222 | L | 27.6 | Very low | 28.3 | Very low | 145.5 Ų | 145.5 | 145.4 Ų | 145.4 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -130.9 | 115.7 | 160.6 | -109.9 | 82.3 | 0 | 0 | 0 | 114 | N2220 L2224 | N2220-L2222 PolarHBondContact O-N 3.41Å; L2222-L2224 HydrophobicContact CD2-CD1 3.97Å; L2222-L2224 PolarHBondContact O-N 3.16Å | ||
| 2223 | S | 25.9 | Very low | 28.4 | Very low | 105.75 Ų | 105.75 | 144 Ų | 144 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | 84.1 | 107.7 | 131.4 | -53 | 0 | 0 | 0 | 0 | 115.4 | Q2225 | S2223-Q2225 PolarHBondContact O-N 3.17Å; S2223-Q2225 VanDerWaalsContact O-N 3.17Å | ||
| 2224 | L | 28.1 | Very low | 28.5 | Very low | 151.75 Ų | 151.75 | 146.6 Ų | 146.6 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | -127.4 | 117.5 | 116.5 | -105.8 | 85.3 | 0 | 0 | 0 | 109.5 | L2222 T2226 | L2222-L2224 HydrophobicContact CD2-CD1 3.97Å; L2222-L2224 PolarHBondContact O-N 3.16Å; L2224-T2226 PolarHBondContact O-N 2.82Å | |||
| 2225 | Q | 28.3 | Very low | 28.5 | Very low | 180.5 Ų | 180.5 | 146.9 Ų | 146.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -134 | 111.6 | 150.4 | -169.3 | 146.8 | -16.6 | 0 | 0 | 110.5 | S2223 P2227 | S2223-Q2225 PolarHBondContact O-N 3.17Å; S2223-Q2225 VanDerWaalsContact O-N 3.17Å; Q2225-P2227 WeakPolarHBondContact O-CD 3.28Å | ||
| 2226 | T | 30.4 | Very low | 28.4 | Very low | 120.75 Ų | 120.75 | 146.7 Ų | 146.7 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -94.8 | 133.7 | 178.5 | 37.9 | 0 | 0 | 0 | 0 | 111.9 | L2224 Q2228 | L2224-T2226 PolarHBondContact O-N 2.82Å; T2226-Q2228 PolarHBondContact O-N 2.91Å; T2226-Q2228 VanDerWaalsContact O-N 3.11Å | ||
| 2227 | P | 30.3 | Very low | 28.3 | Very low | 117.5 Ų | 117.5 | 147.7 Ų | 147.7 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -94.4 | 136.8 | 176.4 | 36 | -32.2 | 0 | 0 | 0 | 112.7 | Q2225 | Q2225-P2227 WeakPolarHBondContact O-CD 3.28Š| ||
| 2228 | Q | 31.7 | Very low | 28.2 | Very low | 190.5 Ų | 190.5 | 143.8 Ų | 143.8 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -134.6 | 133.3 | 159.9 | -83.3 | -174.7 | 9.4 | 0 | 0 | 110.4 | T2226 | T2226-Q2228 PolarHBondContact O-N 2.91Å; T2226-Q2228 VanDerWaalsContact O-N 3.11Å | ||
| 2229 | S | 26.2 | Very low | 28.4 | Very low | 102.5 Ų | 102.5 | 140.9 Ų | 140.9 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | -165.5 | 138.3 | 174.2 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2230 | L | 28.6 | Very low | 28.3 | Very low | 167.25 Ų | 167.25 | 139.6 Ų | 139.6 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | trans | 144.4 | 144.2 | 162.9 | -115.8 | 76.6 | 0 | 0 | 0 | 113.3 | ||||
| 2231 | S | 27.9 | Very low | 28.4 | Very low | 94.25 Ų | 94.25 | 139.5 Ų | 139.5 | 66% | 0.659 | 75% | 0.75 | S | S | * | * | -137.7 | 144.1 | -123.4 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2232 | Q | 29.8 | Very low | 28.4 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | 48.2 | 143.1 | 156.9 | -66.3 | -178.1 | 52 | 0 | 0 | 115 | ||||
| 2233 | Q | 29.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | -138.8 | 154.2 | 65.8 | -112 | 171.1 | 10.2 | 0 | 0 | 112 | |||||
| 2234 | Q | 29.5 | Very low | 28.7 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 52.1 | 150.9 | 150.8 | -81.8 | 172 | -6.2 | 0 | 0 | 119.4 | ||||
| 2235 | T | 27.2 | Very low | 28.8 | Very low | 109.25 Ų | 109.25 | 137.3 Ų | 137.3 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | trans | 93.5 | 126.8 | 146.2 | 38.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2236 | N | 26.9 | Very low | 29 | Very low | 130.25 Ų | 130.25 | 134.4 Ų | 134.4 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | 69.6 | 113.8 | 126.9 | -64.2 | 2.5 | 0 | 0 | 0 | 121.1 | |||||
| 2237 | N | 27.8 | Very low | 29.1 | Very low | 123.25 Ų | 123.25 | 136.8 Ų | 136.8 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | 96.6 | 120.2 | 105.5 | -73.1 | -11 | 0 | 0 | 0 | 119.3 | |||||
| 2238 | N | 27.3 | Very low | 29.1 | Very low | 125.75 Ų | 125.75 | 137.5 Ų | 137.5 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | 63.1 | 123.9 | 123 | -57.1 | -10.1 | 0 | 0 | 0 | 120.6 | |||||
| 2239 | N | 28.7 | Very low | 29 | Very low | 137.5 Ų | 137.5 | 136.3 Ų | 136.3 | 74% | 0.735 | 73% | 0.734 | S | S | * | * | 111.2 | 136.6 | 122.9 | -77.2 | -10.1 | 0 | 0 | 0 | 119.1 | |||||
| 2240 | L | 27.9 | Very low | 29.1 | Very low | 136.5 Ų | 136.5 | 135.8 Ų | 135.8 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | 85.8 | 128.5 | 125.2 | -95.3 | 93.2 | 0 | 0 | 0 | 118 | |||||
| 2241 | L | 28.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | 64.2 | 126.1 | 132.9 | -95.3 | 84.8 | 0 | 0 | 0 | 118.4 | N2243 | L2241-N2243 HydrophobicContact CD2-CB 4.49Š| ||
| 2242 | N | 28.1 | Very low | 29.3 | Very low | 137.5 Ų | 137.5 | 135.4 Ų | 135.4 | 74% | 0.735 | 73% | 0.731 | S | S | * | * | -171.9 | 145.6 | 102.4 | -136 | 1.3 | 0 | 0 | 0 | 114.7 | |||||
| 2243 | N | 29.8 | Very low | 29.8 | Very low | 115.75 Ų | 115.75 | 132.8 Ų | 132.8 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | trans | 62.9 | 114 | 158.1 | -84.4 | -6.6 | 0 | 0 | 0 | 118.2 | L2241 | L2241-N2243 HydrophobicContact CD2-CB 4.49Š| ||
| 2244 | N | 30.6 | Very low | 30.1 | Very low | 142.5 Ų | 142.5 | 130.7 Ų | 130.7 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | 71.8 | 122.9 | 119.4 | -65 | -26.1 | 0 | 0 | 0 | 118 | |||||
| 2245 | S | 29.2 | Very low | 30.2 | Very low | 114.25 Ų | 114.25 | 128.8 Ų | 128.8 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | 169.4 | 150.7 | 119 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2246 | P | 34 | Very low | 30.4 | Very low | 119.5 Ų | 119.5 | 131.1 Ų | 131.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -115.7 | 155.6 | 169.4 | 40.1 | -30.4 | 0 | 0 | 0 | 115.1 | ||||
| 2247 | Q | 31.6 | Very low | 30.6 | Very low | 172.5 Ų | 172.5 | 134.4 Ų | 134.4 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -167.3 | 131 | 155.6 | -80.2 | -161.4 | -5.6 | 0 | 0 | 113 | ||||
| 2248 | L | 29.9 | Very low | 30.8 | Very low | 131.5 Ų | 131.5 | 135.4 Ų | 135.4 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | 66 | 137.3 | 102.2 | -66.8 | 165.9 | 0 | 0 | 0 | 116.4 | |||||
| 2249 | Q | 29.5 | Very low | 31 | Very low | 165.25 Ų | 165.25 | 136.2 Ų | 136.2 | 77% | 0.772 | 74% | 0.736 | S | S | * | * | 129.4 | 150.2 | 74.8 | -104.8 | 165.7 | -13.9 | 0 | 0 | 116.8 | |||||
| 2250 | S | 29.1 | Very low | 31.2 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | 117.5 | 148.6 | 68.8 | 55.5 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 2251 | T | 29.6 | Very low | 31.4 | Very low | 122.75 Ų | 122.75 | 136.8 Ų | 136.8 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | 83.5 | 128.6 | 127.6 | 36.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 2252 | T | 32.1 | Very low | 31.6 | Very low | 128.5 Ų | 128.5 | 134.1 Ų | 134.1 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | 47.5 | 144.8 | 140.3 | 50.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2253 | P | 39 | Very low | 31.9 | Very low | 116.5 Ų | 116.5 | 136.4 Ų | 136.4 | 76% | 0.756 | 75% | 0.747 | S | S | * | * | trans | -109.5 | 168.2 | 158.9 | 38.9 | -31.1 | 0 | 0 | 0 | 114.5 | ||||
| 2254 | P | 36.2 | Very low | 32.7 | Very low | 119.25 Ų | 119.25 | 136.3 Ų | 136.3 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | -147.8 | 165.2 | 132.4 | 37.8 | -19.5 | 0 | 0 | 0 | 118.5 | ||||
| 2255 | T | 30.9 | Very low | 33.4 | Very low | 122.25 Ų | 122.25 | 135.5 Ų | 135.5 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | 37.1 | 141.6 | 148.8 | -33.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 2256 | Q | 32.7 | Very low | 33.8 | Very low | 156.25 Ų | 156.25 | 135.3 Ų | 135.3 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 89.2 | 130.1 | 147 | -94.1 | -178.2 | 68.5 | 0 | 0 | 121.2 | ||||
| 2257 | R | 30.3 | Very low | 34.2 | Very low | 199.5 Ų | 199.5 | 135.1 Ų | 135.1 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | 132.8 | 137.4 | 109.4 | -91.8 | -171.9 | -148.1 | -157.3 | 6.2 | 116.6 | |||||
| 2258 | Q | 32.3 | Very low | 34.5 | Very low | 145.5 Ų | 145.5 | 134.9 Ų | 134.9 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | 74.6 | 133.7 | 117.8 | -77.8 | 179.6 | -19.1 | 0 | 0 | 117.6 | |||||
| 2259 | Q | 32.3 | Very low | 34.7 | Very low | 142.75 Ų | 142.75 | 136.4 Ų | 136.4 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | cis | 175.7 | 159.1 | 17.1 | -115 | 179.3 | 26.7 | 0 | 0 | 114.6 | ||||
| 2260 | Q | 32.7 | Very low | 34.9 | Very low | 170.25 Ų | 170.25 | 136.3 Ų | 136.3 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 71.3 | 140.2 | 154.6 | -64.6 | 173.5 | 26.5 | 0 | 0 | 119.8 | ||||
| 2261 | S | 30.8 | Very low | 35 | Very low | 115.25 Ų | 115.25 | 138.9 Ų | 138.9 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | cis | 162.9 | 141.5 | 1.1 | -148.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2262 | A | 32.6 | Very low | 35.3 | Very low | 86.25 Ų | 86.25 | 137.6 Ų | 137.6 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -151.4 | 155.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2263 | H | 34.6 | Very low | 35.3 | Very low | 184.5 Ų | 184.5 | 140.8 Ų | 140.8 | 85% | 0.854 | 75% | 0.75 | S | S | * | * | -128.4 | 152 | 80 | -85.3 | -74.7 | 0 | 0 | 0 | 116 | |||||
| 2264 | P | 47.7 | Very low | 35 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -107.3 | 160.4 | 167.8 | 39.7 | -32.6 | 0 | 0 | 0 | 114.5 | ||||
| 2265 | P | 44.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -126.4 | -176.8 | 154.5 | 41 | -28.3 | 0 | 0 | 0 | 113.9 | ||||
| 2266 | P | 37.5 | Very low | 34.9 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -124.6 | -174.7 | -134.1 | 30.3 | -7.6 | 0 | 0 | 0 | 116.5 | ||||
| 2267 | P | 42.5 | Very low | 34.8 | Very low | 115.25 Ų | 115.25 | 146 Ų | 146 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -109.4 | 163 | -167.3 | 38 | -28.7 | 0 | 0 | 0 | 116.2 | ||||
| 2268 | H | 38 | Very low | 34.7 | Very low | 168.25 Ų | 168.25 | 140.9 Ų | 140.9 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -145.4 | 140.9 | 172 | -76.5 | -75.4 | 0 | 0 | 0 | 113.9 | ||||
| 2269 | H | 33.7 | Very low | 34.5 | Very low | 161.25 Ų | 161.25 | 141.8 Ų | 141.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | 16.6 | 157.5 | 143.5 | -66.8 | -38.1 | 0 | 0 | 0 | 118.6 | ||||
| 2270 | H | 33.9 | Very low | 34.4 | Very low | 163.25 Ų | 163.25 | 142.1 Ų | 142.1 | 76% | 0.756 | 75% | 0.752 | S | S | * | * | trans | -117.8 | 146.8 | 131.5 | -95.6 | -83.9 | 0 | 0 | 0 | 116.6 | ||||
| 2271 | L | 31.5 | Very low | 34.1 | Very low | 148.5 Ų | 148.5 | 141.5 Ų | 141.5 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | 95.5 | 158.6 | 123.5 | -83.5 | 156 | 0 | 0 | 0 | 115.2 | |||||
| 2272 | P | 36.4 | Very low | 34 | Very low | 95.5 Ų | 95.5 | 144.2 Ų | 144.2 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | -129.2 | -172.3 | -98.5 | 33.5 | -14.4 | 0 | 0 | 0 | 114.8 | |||||
| 2273 | Y | 32.2 | Very low | 33.8 | Very low | 195.25 Ų | 195.25 | 144.4 Ų | 144.4 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | 173.4 | 154 | 126.5 | -104.7 | -74.3 | 0 | 0 | 0 | 115.3 | |||||
| 2274 | Y | 33 | Very low | 33.6 | Very low | 195.75 Ų | 195.75 | 141.6 Ų | 141.6 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | trans | 111.1 | 162.8 | 165.7 | -94.7 | -92.2 | 0 | 0 | 0 | 119.6 | ||||
| 2275 | L | 29.6 | Very low | 32.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -142.5 | 179.1 | 179.7 | -126.1 | 73 | 0 | 0 | 0 | 112.4 | ||||
| 2276 | P | 35.2 | Very low | 32 | Very low | 104.75 Ų | 104.75 | 144.3 Ų | 144.3 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | cis | -125 | -167 | -8.3 | 38.7 | -18.7 | 0 | 0 | 0 | 116 | ||||
| 2277 | Q | 29.2 | Very low | 31.6 | Very low | 176.5 Ų | 176.5 | 148.2 Ų | 148.2 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 123.4 | 137.3 | 147.6 | -129.7 | 177.3 | -12.7 | 0 | 0 | 117.8 | ||||
| 2278 | S | 29 | Very low | 31.1 | Very low | 92.5 Ų | 92.5 | 148.6 Ų | 148.6 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | 169 | 142.3 | 80.2 | -87 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 2279 | Q | 28.4 | Very low | 30.8 | Very low | 164.25 Ų | 164.25 | 146 Ų | 146 | 77% | 0.768 | 74% | 0.741 | S | S | * | * | trans | 72.8 | 141.5 | 147.9 | -67.7 | 174.2 | -2.3 | 0 | 0 | 121.7 | ||||
| 2280 | H | 29.3 | Very low | 30.7 | Very low | 149.25 Ų | 149.25 | 144.6 Ų | 144.6 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | 81.6 | 120.6 | 129.4 | -80 | -70.1 | 0 | 0 | 0 | 120.6 | |||||
| 2281 | M | 27.1 | Very low | 30.7 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | trans | 95.5 | 132.8 | 132.4 | -62.4 | -51 | 169.7 | 0 | 0 | 119.3 | ||||
| 2282 | M | 27.9 | Very low | 30.9 | Very low | 172.25 Ų | 172.25 | 141.5 Ų | 141.5 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | trans | 140.9 | 119.5 | 139.8 | -108.4 | 176.9 | 151.5 | 0 | 0 | 117.7 | ||||
| 2283 | S | 28.8 | Very low | 30.9 | Very low | 90.5 Ų | 90.5 | 144.6 Ų | 144.6 | 63% | 0.633 | 75% | 0.75 | S | S | * | * | trans | 34.2 | 145.2 | 148.5 | 61.3 | 0 | 0 | 0 | 0 | 119 | I2285 | S2283-I2285 PolarHBondContact O-N 3.39Š| ||
| 2284 | P | 30.7 | Very low | 31 | Very low | 125.75 Ų | 125.75 | 140.7 Ų | 140.7 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -90 | 145.3 | 173.2 | 33 | -26.1 | 0 | 0 | 0 | 111.6 | ||||
| 2285 | I | 30.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -116.5 | 128.2 | 172.7 | -67.9 | 173.6 | 0 | 0 | 0 | 111.9 | S2283 F2287 | S2283-I2285 PolarHBondContact O-N 3.39Å; I2285-F2287 HydrophobicContact CG2-CD2 4.26Å; I2285-F2287 HydrophobicContact CG2-CE2 4.41Å | ||
| 2286 | Q | 28.4 | Very low | 31.4 | Very low | 151.5 Ų | 151.5 | 135.6 Ų | 135.6 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | -56.9 | 145 | 164.8 | -61.9 | 172 | -41.9 | 0 | 0 | 114.8 | ||||
| 2287 | F | 28.4 | Very low | 31.2 | Very low | 193.25 Ų | 193.25 | 134.9 Ų | 134.9 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | trans | -132.5 | 121.2 | 148.2 | -98.3 | -73.2 | 0 | 0 | 0 | 114.6 | I2285 | I2285-F2287 HydrophobicContact CG2-CD2 4.26Å; I2285-F2287 HydrophobicContact CG2-CE2 4.41Å | ||
| 2288 | I | 32.3 | Very low | 31.5 | Very low | 124.25 Ų | 124.25 | 131.5 Ų | 131.5 | 64% | 0.637 | 74% | 0.74 | S | S | * | * | trans | -105.3 | 140.9 | 169.5 | -46.9 | 169.3 | 0 | 0 | 0 | 110 | N2290 | I2288-N2290 VanDerWaalsContact C-N 3.27Å; I2288-N2290 VanDerWaalsContact CG2-OD1 3.31Å; I2288-N2290 WeakPolarHBondContact CG2-OD1 3.35Å; I2288-N2290 PolarHBondContact O-N 2.95Å | ||
| 2289 | P | 31.8 | Very low | 31.6 | Very low | 114.75 Ų | 114.75 | 131.4 Ų | 131.4 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -109.8 | 128.4 | 176.9 | 35.1 | -26.7 | 0 | 0 | 0 | 113 | ||||
| 2290 | N | 31.7 | Very low | 31.8 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -146.5 | 126.8 | 154.1 | -88.2 | -20.9 | 0 | 0 | 0 | 111.7 | I2288 | I2288-N2290 VanDerWaalsContact C-N 3.27Å; I2288-N2290 VanDerWaalsContact CG2-OD1 3.31Å; I2288-N2290 WeakPolarHBondContact CG2-OD1 3.35Å; I2288-N2290 PolarHBondContact O-N 2.95Å | ||
| 2291 | T | 33.9 | Very low | 31.8 | Very low | 122.75 Ų | 122.75 | 129.8 Ų | 129.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | 34.4 | 137.7 | 149.8 | 57.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2292 | P | 34.6 | Very low | 32 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -98.7 | 144.4 | 173 | 35.3 | -29.3 | 0 | 0 | 0 | 112.1 | ||||
| 2293 | L | 35.9 | Very low | 32.1 | Very low | 161.75 Ų | 161.75 | 127.2 Ų | 127.2 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | 158.1 | 149.2 | 146.7 | -135 | 72.9 | 0 | 0 | 0 | 112.3 | ||||
| 2294 | P | 35.2 | Very low | 32.1 | Very low | 112.75 Ų | 112.75 | 129.7 Ų | 129.7 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | -111.5 | 176.7 | -138.3 | 30.4 | -16.5 | 0 | 0 | 0 | 114.7 | ||||
| 2295 | T | 36.2 | Very low | 32.2 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -143.2 | 154.1 | 169.9 | 55.7 | 0 | 0 | 0 | 0 | 113 | M2459 | T2295-M2459 WeakPolarHBondContact O-CE 3.31Š| ||
| 2296 | P | 34.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | -120.1 | 176.5 | 178 | 40.3 | -29.7 | 0 | 0 | 0 | 113.7 | S2460 D2461 | P2296-S2460 WeakPolarHBondContact CA-OG 3.38Å; P2296-S2460 WeakPolarHBondContact CB-OG 3.46Å; P2296-D2461 VanDerWaalsContact CB-CG 3.43Å; P2296-D2461 VanDerWaalsContact CB-OD1 3.25Å; P2296-D2461 WeakPolarHBondContact CB-OD1 3.31Å; P2296-D2461 VanDerWaalsContact CB-OD2 3.25Å; P2296-D2461 WeakPolarHBondContact CB-OD2 3.22Å | ||
| 2297 | S | 31.8 | Very low | 32.7 | Very low | 91.75 Ų | 91.75 | 126.9 Ų | 126.9 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | trans | 129 | 162.7 | 159 | 53.4 | 0 | 0 | 0 | 0 | 115.3 | S2458 M2459 S2460 | S2297-S2458 WeakPolarHBondContact OG-CB 3.16Å; S2297-M2459 VanDerWaalsContact O-O 3.13Å; S2297-M2459 VanDerWaalsContact OG-C 3.26Å; S2297-M2459 VanDerWaalsContact OG-CA 3.27Å; S2297-M2459 WeakPolarHBondContact OG-CA 3.48Å; S2297-M2459 WeakPolarHBondContact OG-CB 3.29Å; S2297-M2459 WeakPolarHBondContact OG-CG 3.13Å; S2297-M2459 PolarHBondContact OG-N 3.2Å; S2297-M2459 PolarHBondContact OG-O 2.87Å; S2297-M2459 VanDerWaalsContact OG-O 3.12Å; S2297-S2460 PolarHBondContact N-OG 3.49Å; S2297-S2460 WeakPolarHBondContact O-CB 3.34Å | ||
| 2298 | S | 33.9 | Very low | 33 | Very low | 104.25 Ų | 104.25 | 121.3 Ų | 121.3 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | 170.1 | 154.8 | 65.6 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2299 | S | 31.9 | Very low | 33.4 | Very low | 91.25 Ų | 91.25 | 121.1 Ų | 121.1 | 64% | 0.638 | 74% | 0.739 | S | S | * | * | cis | 136.2 | 149.3 | 39.5 | -71.5 | 0 | 0 | 0 | 0 | 114.7 | S2458 | S2299-S2458 PolarHBondContact OG-O 3.43Š| ||
| 2300 | Q | 32.7 | Very low | 33.3 | Very low | 183.75 Ų | 183.75 | 125.4 Ų | 125.4 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | 72.2 | 152.7 | 154.7 | -58.7 | 176.9 | 9 | 0 | 0 | 119.6 | ||||
| 2301 | S | 28.8 | Very low | 33.3 | Very low | 95.25 Ų | 95.25 | 125 Ų | 125 | 67% | 0.666 | 75% | 0.748 | S | S | * | * | 161.8 | 161.5 | -51.4 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2302 | I | 31.1 | Very low | 33.1 | Very low | 144.75 Ų | 144.75 | 125.2 Ų | 125.2 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 133.3 | 139.5 | 147.7 | -86 | 164.1 | 0 | 0 | 0 | 115.1 | ||||
| 2303 | N | 30.3 | Very low | 32.9 | Very low | 130.75 Ų | 130.75 | 126.3 Ų | 126.3 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 62.4 | 148.6 | 161.4 | -62.3 | -11.8 | 0 | 0 | 0 | 121.3 | ||||
| 2304 | M | 29.2 | Very low | 32.8 | Very low | 142.75 Ų | 142.75 | 122.9 Ų | 122.9 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | cis | 162.9 | 135.3 | 42.7 | -97.8 | -171.2 | 123.5 | 0 | 0 | 117.3 | ||||
| 2305 | I | 32.6 | Very low | 32.7 | Very low | 138.75 Ų | 138.75 | 124.5 Ų | 124.5 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | trans | 67.1 | 145.7 | 138.9 | -58.8 | 168.9 | 0 | 0 | 0 | 118.7 | ||||
| 2306 | P | 36 | Very low | 32.3 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | -133.7 | -168.2 | -120.4 | 45.3 | -28.9 | 0 | 0 | 0 | 115.8 | |||||
| 2307 | S | 34.9 | Very low | 32.2 | Very low | 120.5 Ų | 120.5 | 128.9 Ų | 128.9 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | 151.2 | 138.5 | 157.2 | -61.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2308 | G | 34.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 98.3 | 146.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2309 | P | 40.2 | Very low | 32 | Very low | 120.25 Ų | 120.25 | 131.8 Ų | 131.8 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -122.5 | 172.2 | -163 | 40.9 | -28.7 | 0 | 0 | 0 | 115.7 | ||||
| 2310 | F | 30.4 | Very low | 31.9 | Very low | 204.5 Ų | 204.5 | 132.8 Ų | 132.8 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -134 | 149.6 | 162.3 | -99.2 | -86 | 0 | 0 | 0 | 115.5 | ||||
| 2311 | V | 30.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | -117.1 | 143.8 | 165.9 | 178.3 | 0 | 0 | 0 | 0 | 114.2 | I2313 | V2311-I2313 HydrophobicContact CG1-CG1 4.43Š| ||
| 2312 | T | 30.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -157 | 150.4 | 150.1 | -65.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 2313 | I | 31.4 | Very low | 31.7 | Very low | 145.75 Ų | 145.75 | 132.6 Ų | 132.6 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -139.2 | 179.3 | 176.5 | -36.8 | 170.6 | 0 | 0 | 0 | 111.1 | V2311 | V2311-I2313 HydrophobicContact CG1-CG1 4.43Š| ||
| 2314 | P | 33.3 | Very low | 31.5 | Very low | 90.75 Ų | 90.75 | 131 Ų | 131 | 59% | 0.589 | 76% | 0.762 | S | S | * | * | trans | -128.3 | -173.2 | -149.5 | 37 | -17.3 | 0 | 0 | 0 | 115.1 | L2393 | P2314-L2393 WeakPolarHBondContact O-CG 3.4Å; P2314-L2393 PolarHBondContact O-N 2.97Å | ||
| 2315 | H | 32.6 | Very low | 31.5 | Very low | 146.75 Ų | 146.75 | 130.1 Ų | 130.1 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | 166.1 | 149.7 | 114 | -103 | -50.4 | 0 | 0 | 0 | 116.2 | T2391 L2393 | H2315-T2391 VanDerWaalsContact O-CG2 3.24Å; H2315-T2391 WeakPolarHBondContact O-CG2 3.5Å; H2315-L2393 PolarHBondContact CD2-N 3.06Å; H2315-L2393 VanDerWaalsContact CD2-N 3.3Å | |||
| 2316 | H | 29.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | 37.4 | 135.9 | 150.7 | -84.9 | -131.4 | 0 | 0 | 0 | 119.9 | ||||
| 2317 | I | 32.4 | Very low | 31 | Very low | 163.75 Ų | 163.75 | 133.7 Ų | 133.7 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | -167.6 | 146.1 | 111.2 | -95.6 | 156.7 | 0 | 0 | 0 | 111.4 | |||||
| 2318 | N | 28.8 | Very low | 30.7 | Very low | 146.75 Ų | 146.75 | 131.4 Ų | 131.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -15.7 | 142.4 | 177.9 | -98.4 | 5.7 | 0 | 0 | 0 | 121.3 | ||||
| 2319 | P | 32.8 | Very low | 30.4 | Very low | 110.75 Ų | 110.75 | 133.6 Ų | 133.6 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -95.8 | 161.4 | 155.7 | 37.1 | -32.2 | 0 | 0 | 0 | 112.7 | ||||
| 2320 | S | 28.7 | Very low | 29.9 | Very low | 112.5 Ų | 112.5 | 135.2 Ų | 135.2 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | 171.4 | 134.1 | 164.8 | -78.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2321 | T | 30.5 | Very low | 29.8 | Very low | 138.75 Ų | 138.75 | 131.8 Ų | 131.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -154.6 | 118.6 | 156.5 | 30.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2322 | S | 27.2 | Very low | 29.6 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -97.2 | 130.8 | 136 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 2323 | L | 30 | Very low | 29.5 | Very low | 171.5 Ų | 171.5 | 132.2 Ų | 132.2 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | 179.3 | 120.8 | 148.1 | -85.3 | 168.5 | 0 | 0 | 0 | 112 | ||||
| 2324 | S | 26.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75 | 145.2 | 163.8 | -47.5 | 0 | 0 | 0 | 0 | 113.7 | T2326 | S2324-T2326 PolarHBondContact O-N 3.3Å; S2324-T2326 VanDerWaalsContact O-N 3.15Å |
| 2325 | P | 30.1 | Very low | 28.9 | Very low | 123.75 Ų | 123.75 | 132.4 Ų | 132.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122 | 164.5 | 30.8 | -31.4 | 0 | 0 | 0 | 110.4 | ||
| 2326 | T | 29.7 | Very low | 28.7 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -95.4 | 127.7 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | S2324 G2328 | S2324-T2326 PolarHBondContact O-N 3.3Å; S2324-T2326 VanDerWaalsContact O-N 3.15Å; T2326-G2328 PolarHBondContact O-N 2.9Å; T2326-G2328 VanDerWaalsContact O-N 3.11Å | ||
| 2327 | F | 28 | Very low | 28.7 | Very low | 186.25 Ų | 186.25 | 132.9 Ų | 132.9 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 118.2 | 170.4 | -83.2 | -97.1 | 0 | 0 | 0 | 111 | T2329 | F2327-T2329 PolarHBondContact O-N 3.24Š| ||
| 2328 | G | 29.4 | Very low | 28.5 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -99.3 | 96.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2326 N2330 | T2326-G2328 PolarHBondContact O-N 2.9Å; T2326-G2328 VanDerWaalsContact O-N 3.11Å; G2328-N2330 PolarHBondContact O-N 3.26Å | ||
| 2329 | T | 27.8 | Very low | 28.4 | Very low | 122.5 Ų | 122.5 | 131 Ų | 131 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 110.4 | 176.1 | 46.5 | 0 | 0 | 0 | 0 | 112 | F2327 V2331 | F2327-T2329 PolarHBondContact O-N 3.24Å; T2329-V2331 VanDerWaalsContact C-N 3.3Å; T2329-V2331 PolarHBondContact O-N 3.17Å | ||
| 2330 | N | 28.5 | Very low | 28.3 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -130 | 94.1 | 162.7 | -87.8 | -42 | 0 | 0 | 0 | 108.9 | G2328 L2332 | G2328-N2330 PolarHBondContact O-N 3.26Å; N2330-L2332 VanDerWaalsContact C-N 3.3Å; N2330-L2332 PolarHBondContact O-N 3.05Å | ||
| 2331 | V | 27.7 | Very low | 28.2 | Very low | 133.25 Ų | 133.25 | 135.6 Ų | 135.6 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 100.8 | 151.4 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | T2329 P2333 | T2329-V2331 VanDerWaalsContact C-N 3.3Å; T2329-V2331 PolarHBondContact O-N 3.17Å; V2331-P2333 VanDerWaalsContact O-CD 3.24Å; V2331-P2333 WeakPolarHBondContact O-CD 3.17Å | ||
| 2332 | L | 27.7 | Very low | 28.1 | Very low | 156.25 Ų | 156.25 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -122.7 | 137.1 | 155.9 | -102.2 | 137.5 | 0 | 0 | 0 | 109.5 | N2330 C2334 | N2330-L2332 VanDerWaalsContact C-N 3.3Å; N2330-L2332 PolarHBondContact O-N 3.05Å; L2332-C2334 PolarHBondContact O-N 3.3Å; L2332-C2334 VanDerWaalsContact O-N 3.14Å | ||
| 2333 | P | 27.5 | Very low | 28.1 | Very low | 102.5 Ų | 102.5 | 136.4 Ų | 136.4 | 67% | 0.666 | 78% | 0.777 | S | S | * | * | trans | -93.8 | 145.8 | -167.8 | 35.9 | -33.7 | 0 | 0 | 0 | 112.3 | V2331 N2335 | V2331-P2333 VanDerWaalsContact O-CD 3.24Å; V2331-P2333 WeakPolarHBondContact O-CD 3.17Å; P2333-N2335 PolarHBondContact O-N 3.07Å | ||
| 2334 | C | 25.5 | Very low | 28 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -79 | 110.3 | 165.7 | -133.7 | 0 | 0 | 0 | 0 | 113.8 | L2332 S2336 | L2332-C2334 PolarHBondContact O-N 3.3Å; L2332-C2334 VanDerWaalsContact O-N 3.14Å; C2334-S2336 PolarHBondContact O-N 2.92Å | ||
| 2335 | N | 25.9 | Very low | 28 | Very low | 129.75 Ų | 129.75 | 138.2 Ų | 138.2 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -86.1 | 112.8 | 167.4 | -77.4 | -23.5 | 0 | 0 | 0 | 112.4 | P2333 Y2337 | P2333-N2335 PolarHBondContact O-N 3.07Å; N2335-Y2337 HydrophobicContact CB-CD2 3.84Å; N2335-Y2337 HydrophobicContact CB-CE2 3.7Å; N2335-Y2337 HydrophobicContact CB-CG 4.45Å | ||
| 2336 | S | 28.6 | Very low | 27.9 | Very low | 107.75 Ų | 107.75 | 140.7 Ų | 140.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -136.8 | 69.2 | 148.5 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | C2334 Q2338 | C2334-S2336 PolarHBondContact O-N 2.92Å; S2336-Q2338 PolarHBondContact O-N 2.87Å; S2336-Q2338 VanDerWaalsContact O-N 3.12Å | ||
| 2337 | Y | 30 | Very low | 27.7 | Very low | 210.75 Ų | 210.75 | 142.1 Ų | 142.1 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -52.3 | 121.8 | 140 | -76.8 | -80.1 | 0 | 0 | 0 | 109.5 | N2335 A2339 | N2335-Y2337 HydrophobicContact CB-CD2 3.84Å; N2335-Y2337 HydrophobicContact CB-CE2 3.7Å; N2335-Y2337 HydrophobicContact CB-CG 4.45Å; Y2337-A2339 PolarHBondContact O-N 2.96Å | ||
| 2338 | Q | 27.7 | Very low | 28.1 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -89.7 | 129.8 | 142.2 | -72.1 | -171.8 | -75.7 | 0 | 0 | 109.6 | S2336 Y2340 | S2336-Q2338 PolarHBondContact O-N 2.87Å; S2336-Q2338 VanDerWaalsContact O-N 3.12Å; Q2338-Y2340 PolarHBondContact O-N 3.24Å | ||
| 2339 | A | 26.3 | Very low | 28.1 | Very low | 88.25 Ų | 88.25 | 137.9 Ų | 137.9 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | trans | -86.4 | 146.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y2337 S2341 | Y2337-A2339 PolarHBondContact O-N 2.96Å; A2339-S2341 PolarHBondContact O-N 2.86Å | ||
| 2340 | Y | 30.2 | Very low | 28.2 | Very low | 212.25 Ų | 212.25 | 138.6 Ų | 138.6 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -104.1 | 131 | 163.3 | -81.8 | -78 | 0 | 0 | 0 | 109.9 | M2221 Q2338 | M2221-Y2340 WeakPolarHBondContact CE-OH 3.42Å; Q2338-Y2340 PolarHBondContact O-N 3.24Å | ||
| 2341 | S | 27.4 | Very low | 28.2 | Very low | 108.25 Ų | 108.25 | 141.3 Ų | 141.3 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | -90.1 | 143.3 | -154.3 | -65 | 0 | 0 | 0 | 0 | 111.5 | A2339 D2343 | A2339-S2341 PolarHBondContact O-N 2.86Å; S2341-D2343 PolarHBondContact O-N 3.27Å | ||
| 2342 | T | 28.3 | Very low | 28.2 | Very low | 125.75 Ų | 125.75 | 138 Ų | 138 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | -108.1 | 127.2 | 149 | -52.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2343 | D | 26.5 | Very low | 28.3 | Very low | 137.25 Ų | 137.25 | 138.6 Ų | 138.6 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 121.1 | 145 | 137.4 | -97.5 | -19.5 | 0 | 0 | 0 | 117.1 | S2341 | S2341-D2343 PolarHBondContact O-N 3.27Š| ||
| 2344 | Q | 28.4 | Very low | 28.4 | Very low | 173.5 Ų | 173.5 | 140 Ų | 140 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | 126.9 | 119.1 | 126.8 | -82.3 | -174.6 | 30.6 | 0 | 0 | 115.8 | |||||
| 2345 | V | 26.4 | Very low | 28.8 | Very low | 133.75 Ų | 133.75 | 140.5 Ų | 140.5 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 34.7 | 123.3 | 137.7 | 178.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2346 | M | 27.9 | Very low | 28.9 | Very low | 175.75 Ų | 175.75 | 138.3 Ų | 138.3 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | -165.6 | 146.6 | 118.7 | -134.1 | 141.1 | -176.6 | 0 | 0 | 112 | H1812 | H1812-M2346 PolarHBondContact CE1-O 3.41Å; H1812-M2346 PolarHBondContact NE2-O 2.9Å | |||
| 2347 | E | 26.8 | Very low | 29 | Very low | 161.75 Ų | 161.75 | 141.6 Ų | 141.6 | 76% | 0.756 | 76% | 0.757 | S | S | * | * | trans | -99.8 | -175.7 | -179 | -115 | -137.1 | 135.3 | 0 | 0 | 114.4 | ||||
| 2348 | P | 35 | Very low | 29 | Very low | 72.75 Ų | 72.75 | 137.8 Ų | 137.8 | 47% | 0.472 | 76% | 0.756 | S | S | . | * | -126.9 | 176.8 | -90.9 | 39.7 | -23.8 | 0 | 0 | 0 | 115.7 | Q1613 | Q1613-P2348 HydrophobicContact CG-CG 4.2Š| |||
| 2349 | S | 30.1 | Very low | 29.1 | Very low | 97.25 Ų | 97.25 | 133 Ų | 133 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | 165.4 | 153.6 | 133.7 | 37.4 | 0 | 0 | 0 | 0 | 116.1 | Q1613 | Q1613-S2349 WeakPolarHBondContact CG-OG 3.45Å; Q1613-S2349 PolarHBondContact NE2-OG 3.47Å | ||
| 2350 | L | 28.7 | Very low | 29.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | 82 | 118.2 | 162.2 | -77.1 | 169.7 | 0 | 0 | 0 | 115.8 | Q1613 | Q1613-L2350 VanDerWaalsContact NE2-CD1 3.35Š| ||
| 2351 | Y | 29.6 | Very low | 29.1 | Very low | 210.75 Ų | 210.75 | 130.5 Ų | 130.5 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | -156 | 156.8 | 90.3 | -84.5 | -86.7 | 0 | 0 | 0 | 115.4 | |||||
| 2352 | G | 27.5 | Very low | 29.3 | Very low | 62.75 Ų | 62.75 | 131.8 Ų | 131.8 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | 178.2 | 69.9 | -101.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q2173 | Q2173-G2352 PolarHBondContact NE2-O 3.38Š| |||
| 2353 | F | 30 | Very low | 29.3 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -129.8 | 144.7 | 172.5 | -99.9 | -94.2 | 0 | 0 | 0 | 112.7 | R2170 D2172 Q2173 | R2170-F2353 VanDerWaalsContact CD-CD1 3.43Å; D2172-F2353 HydrophobicContact CB-CD2 3.48Å; D2172-F2353 VanDerWaalsContact CB-CD2 3.48Å; D2172-F2353 HydrophobicContact CB-CE2 3.26Å; D2172-F2353 HydrophobicContact CB-CG 4.35Å; D2172-F2353 HydrophobicContact CB-CZ 4Å; D2172-F2353 VanDerWaalsContact CG-CG 3.48Å; D2172-F2353 WeakPolarHBondContact OD1-CD2 3.42Å; D2172-F2353 WeakPolarHBondContact OD1-CG 3.15Å; D2172-F2353 WeakPolarHBondContact OD2-CD2 3.4Å; D2172-F2353 WeakPolarHBondContact OD2-CG 3.34Å; Q2173-F2353 HydrophobicContact CB-CE2 4.21Å; Q2173-F2353 HydrophobicContact CG-CD2 4.46Å; Q2173-F2353 HydrophobicContact CG-CE2 3.67Å; Q2173-F2353 VanDerWaalsContact N-CE2 3.32Å; Q2173-F2353 VanDerWaalsContact NE2-CD2 3.31Å | ||
| 2354 | N | 30.2 | Very low | 29.3 | Very low | 133.25 Ų | 133.25 | 135.9 Ų | 135.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -122.3 | 134.7 | -141.7 | -121.2 | -9.8 | 0 | 0 | 0 | 113.1 | R2170 A2356 | R2170-N2354 VanDerWaalsContact NH1-N 3.12Å; R2170-N2354 PolarHBondContact NH1-O 3.35Å; R2170-N2354 PolarHBondContact NH2-O 3.27Å; N2354-A2356 HydrophobicContact CB-CB 4.5Å | ||
| 2355 | P | 32.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -95.4 | 128.1 | 166 | 35.4 | -29.1 | 0 | 0 | 0 | 112.1 | ||||
| 2356 | A | 28.9 | Very low | 29.5 | Very low | 85.5 Ų | 85.5 | 133.9 Ų | 133.9 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | trans | -136.4 | 100.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N2354 | N2354-A2356 HydrophobicContact CB-CB 4.5Š| ||
| 2357 | M | 30.7 | Very low | 29.5 | Very low | 176.25 Ų | 176.25 | 131.8 Ų | 131.8 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -156.4 | 117.6 | 148.6 | -98.2 | -144.9 | 121.3 | 0 | 0 | 109.7 | L2163 | L2163-M2357 HydrophobicContact CB-CE 3.76Å; L2163-M2357 WeakPolarHBondContact O-CE 3.48Å | ||
| 2358 | T | 29.9 | Very low | 29.6 | Very low | 130.5 Ų | 130.5 | 129.3 Ų | 129.3 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | trans | -87.1 | 131.5 | -174.5 | -38.5 | 0 | 0 | 0 | 0 | 113.6 | L2163 | L2163-T2358 WeakPolarHBondContact CD1-O 3.37Š| ||
| 2359 | A | 29.1 | Very low | 29.3 | Very low | 82.5 Ų | 82.5 | 132.6 Ų | 132.6 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 150.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 2360 | P | 30.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -103.8 | 150.1 | 156.5 | 33.6 | -29.9 | 0 | 0 | 0 | 114 | V2362 | P2360-V2362 PolarHBondContact O-N 2.96Š| ||
| 2361 | T | 27.4 | Very low | 29.1 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 129.2 | 175.8 | -25.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2362 | V | 30.6 | Very low | 29.2 | Very low | 134.75 Ų | 134.75 | 129.3 Ų | 129.3 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -119.7 | 136.1 | 160.1 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | P2360 | P2360-V2362 PolarHBondContact O-N 2.96Š| ||
| 2363 | H | 28.1 | Very low | 29.4 | Very low | 169.75 Ų | 169.75 | 132.5 Ų | 132.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -71.6 | 153.7 | -167.6 | -150.6 | -97.7 | 0 | 0 | 0 | 115.2 | S2365 | H2363-S2365 PolarHBondContact O-N 2.94Š| ||
| 2364 | Q | 27.8 | Very low | 29.7 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -84.1 | 127 | 168.6 | -91.5 | -177.9 | 0.6 | 0 | 0 | 110.9 | ||||
| 2365 | S | 28.7 | Very low | 29.8 | Very low | 98.5 Ų | 98.5 | 129.6 Ų | 129.6 | 69% | 0.689 | 78% | 0.784 | S | S | * | * | trans | -175.4 | 129.1 | 158.2 | -177.7 | 0 | 0 | 0 | 0 | 111 | H2363 | H2363-S2365 PolarHBondContact O-N 2.94Š| ||
| 2366 | M | 29.2 | Very low | 29.7 | Very low | 167.75 Ų | 167.75 | 132 Ų | 132 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -177.3 | 108.3 | 132.6 | -98.3 | -163 | -90.5 | 0 | 0 | 111.7 | ||||
| 2367 | V | 28.2 | Very low | 29.8 | Very low | 131.75 Ų | 131.75 | 133 Ų | 133 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -107.4 | 129.9 | 163.7 | -165.2 | 0 | 0 | 0 | 0 | 107.6 | N2369 | V2367-N2369 PolarHBondContact O-N 3.44Š| ||
| 2368 | C | 27.9 | Very low | 29.7 | Very low | 108.5 Ų | 108.5 | 133 Ų | 133 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -134.8 | 140.3 | 147.9 | -97.9 | 0 | 0 | 0 | 0 | 112.4 | V2370 | C2368-V2370 PolarHBondContact O-N 3.44Š| ||
| 2369 | N | 28.9 | Very low | 29.7 | Very low | 142.75 Ų | 142.75 | 133 Ų | 133 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -82.6 | 127.2 | 177.6 | -64.8 | -26.3 | 0 | 0 | 0 | 112.3 | V2367 L2371 | V2367-N2369 PolarHBondContact O-N 3.44Å; N2369-L2371 PolarHBondContact O-N 3.33Å | ||
| 2370 | V | 29 | Very low | 29.7 | Very low | 139.5 Ų | 139.5 | 136.6 Ų | 136.6 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -173.9 | 99.6 | 138.9 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | C2368 | C2368-V2370 PolarHBondContact O-N 3.44Š| ||
| 2371 | L | 26.6 | Very low | 29.7 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | -154.6 | 116.2 | 126.8 | -163 | 75.2 | 0 | 0 | 0 | 110.4 | N2369 | N2369-L2371 PolarHBondContact O-N 3.33Š| |||
| 2372 | G | 31.1 | Very low | 29.8 | Very low | 73.25 Ų | 73.25 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 118.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2373 | T | 31.7 | Very low | 29.7 | Very low | 129.25 Ų | 129.25 | 140.3 Ų | 140.3 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 142.9 | -172.5 | 50 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2374 | P | 37.1 | Very low | 29.8 | Very low | 117.5 Ų | 117.5 | 139.2 Ų | 139.2 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 154.9 | 171.8 | 34.6 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 2375 | P | 32.8 | Very low | 29.8 | Very low | 123.75 Ų | 123.75 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 158.8 | 178.1 | 35.3 | -32.8 | 0 | 0 | 0 | 114.1 | ||
| 2376 | Q | 29.1 | Very low | 29.7 | Very low | 171.25 Ų | 171.25 | 139.5 Ų | 139.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 149.2 | 170.4 | -67.7 | -174.1 | -44.2 | 0 | 0 | 112.1 | ||
| 2377 | S | 31.7 | Very low | 29.8 | Very low | 106.25 Ų | 106.25 | 137.8 Ų | 137.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | -138.2 | 134.4 | 96.8 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 2378 | Q | 27.3 | Very low | 29.8 | Very low | 175.5 Ų | 175.5 | 139.4 Ų | 139.4 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | -12.1 | 148.3 | 160.9 | -63.5 | -176.9 | 8.3 | 0 | 0 | 114.8 | ||||
| 2379 | V | 30.8 | Very low | 30 | Very low | 131.5 Ų | 131.5 | 139.4 Ų | 139.4 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | -156.4 | 140.8 | 83.4 | 159.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2380 | Q | 29.2 | Very low | 29.9 | Very low | 157.75 Ų | 157.75 | 138.7 Ų | 138.7 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | trans | 106.4 | 124.1 | 154.6 | -155.1 | 140.8 | 35.6 | 0 | 0 | 118.4 | ||||
| 2381 | Q | 29.8 | Very low | 29.9 | Very low | 154.75 Ų | 154.75 | 137.4 Ų | 137.4 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | trans | 119.8 | 142.4 | 159.6 | -93.5 | 168.1 | 47.1 | 0 | 0 | 116.5 | ||||
| 2382 | Q | 30.5 | Very low | 29.9 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 128 | 144.4 | 117.5 | -83.7 | 177.4 | 38.6 | 0 | 0 | 113.9 | |||||
| 2383 | Q | 27.3 | Very low | 29.6 | Very low | 145.5 Ų | 145.5 | 137.7 Ų | 137.7 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 170.6 | 145.4 | 8.3 | -121.8 | -179.4 | 18.9 | 0 | 0 | 112.4 | ||||
| 2384 | H | 30.5 | Very low | 29.3 | Very low | 146.75 Ų | 146.75 | 135.3 Ų | 135.3 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | trans | 78.9 | 135.5 | 151.6 | -69.1 | 111 | 0 | 0 | 0 | 116.5 | ||||
| 2385 | Q | 28.5 | Very low | 28.8 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | cis | 137.6 | 129.6 | 36.3 | -121.3 | 176.3 | 0.8 | 0 | 0 | 113.4 | ||||
| 2386 | T | 26.5 | Very low | 28.5 | Very low | 120.75 Ų | 120.75 | 136 Ų | 136 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | 127.2 | 140.5 | 110.1 | -53.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2387 | V | 31.9 | Very low | 28.3 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | 101.8 | 114.7 | 153.2 | 179.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 2388 | E | 27.1 | Very low | 28.2 | Very low | 165.75 Ų | 165.75 | 135.1 Ų | 135.1 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | -16 | 157.5 | 152.9 | -72.2 | -66.6 | 123.3 | 0 | 0 | 119.1 | V2390 | E2388-V2390 WeakPolarHBondContact OE2-CG2 3.43Å; E2388-V2390 PolarHBondContact OE2-N 2.9Å | ||
| 2389 | P | 32.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | -115.5 | 166.4 | 171.7 | 39.8 | -29.1 | 0 | 0 | 0 | 116.3 | ||||
| 2390 | V | 28.1 | Very low | 28.1 | Very low | 127.25 Ų | 127.25 | 133 Ų | 133 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | trans | 158.9 | 135.2 | 151.6 | -171.1 | 0 | 0 | 0 | 0 | 114.7 | E2388 | E2388-V2390 WeakPolarHBondContact OE2-CG2 3.43Å; E2388-V2390 PolarHBondContact OE2-N 2.9Å | ||
| 2391 | T | 27.4 | Very low | 28 | Very low | 112.5 Ų | 112.5 | 131.9 Ų | 131.9 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | -19.2 | 144.9 | 171.5 | 40.4 | 0 | 0 | 0 | 0 | 117.8 | H2315 | H2315-T2391 VanDerWaalsContact O-CG2 3.24Å; H2315-T2391 WeakPolarHBondContact O-CG2 3.5Å | ||
| 2392 | S | 26 | Very low | 28 | Very low | 97.5 Ų | 97.5 | 130.8 Ų | 130.8 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | 103.5 | 143.3 | 111.5 | 73.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2393 | L | 25.7 | Very low | 27.9 | Very low | 144.5 Ų | 144.5 | 130.4 Ų | 130.4 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | trans | 70.3 | 113.4 | 154.2 | -89.6 | 114.7 | 0 | 0 | 0 | 117.9 | P2314 H2315 | P2314-L2393 WeakPolarHBondContact O-CG 3.4Å; P2314-L2393 PolarHBondContact O-N 2.97Å; H2315-L2393 PolarHBondContact CD2-N 3.06Å; H2315-L2393 VanDerWaalsContact CD2-N 3.3Å | ||
| 2394 | A | 25.9 | Very low | 27.9 | Very low | 79.5 Ų | 79.5 | 127.1 Ų | 127.1 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | 67.3 | 121.6 | 110.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2395 | S | 26.7 | Very low | 27.9 | Very low | 111.25 Ų | 111.25 | 124.3 Ų | 124.3 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | 119.2 | 152.7 | 128.2 | -66.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 2396 | I | 25.9 | Very low | 27.8 | Very low | 145.5 Ų | 145.5 | 122.7 Ų | 122.7 | 75% | 0.746 | 71% | 0.705 | S | S | * | * | trans | 106 | 123.5 | 154.7 | -72.7 | 168.2 | 0 | 0 | 0 | 114.4 | ||||
| 2397 | N | 25.7 | Very low | 27.8 | Very low | 135.25 Ų | 135.25 | 123 Ų | 123 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | trans | 18.3 | 139.4 | 153.1 | -53.8 | -21.2 | 0 | 0 | 0 | 118.2 | I2399 | N2397-I2399 HydrophobicContact CB-CD1 4.27Å; N2397-I2399 HydrophobicContact CB-CG1 4.45Å | ||
| 2398 | T | 28.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | -160.2 | 124.5 | 106.5 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2399 | I | 26.5 | Very low | 27.6 | Very low | 130.5 Ų | 130.5 | 125.2 Ų | 125.2 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | 54.1 | 138.6 | 111.6 | -54.9 | 167.7 | 0 | 0 | 0 | 113.4 | N2397 | N2397-I2399 HydrophobicContact CB-CD1 4.27Å; N2397-I2399 HydrophobicContact CB-CG1 4.45Å | |||
| 2400 | N | 29.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | 134.5 | 111.3 | 162.2 | -69.1 | -52.1 | 0 | 0 | 0 | 112 | ||||
| 2401 | N | 27.4 | Very low | 27.4 | Very low | 134.667 Ų | 134.667 | 125.9 Ų | 125.9 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | 69.4 | 139 | 72.3 | -100.5 | -8.8 | 0 | 0 | 0 | 117.9 | |||||
| 2402 | I | 29.3 | Very low | 27.3 | Very low | 129.667 Ų | 129.667 | 127.6 Ų | 127.6 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | trans | 119.6 | 122.1 | 130.7 | -79.6 | 162.3 | 0 | 0 | 0 | 116 | ||||
| 2403 | H | 28.5 | Very low | 27.3 | Very low | 151.333 Ų | 151.333 | 129 Ų | 129 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | 57.8 | 152 | 146.1 | -74.1 | 38.4 | 0 | 0 | 0 | 119.8 | S2126 N2127 H2128 | S2126-H2403 VanDerWaalsContact C-CD2 3.47Å; N2127-H2403 PolarHBondContact N-CD2 3.33Å; N2127-H2403 PolarHBondContact O-CD2 2.92Å; H2128-H2403 CarbonylContact O-C 3.57Å; H2128-H2403 VanDerWaalsContact O-C 3.29Å | ||
| 2404 | S | 28.5 | Very low | 27.3 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 53% | 0.531 | 70% | 0.704 | S | S | . | * | cis | -164.9 | 159.3 | -7.1 | -142.8 | 0 | 0 | 0 | 0 | 113.4 | H2128 A2129 | H2128-S2404 VanDerWaalsContact C-N 3.28Å; H2128-S2404 CarbonylContact C-O 3.56Å; H2128-S2404 WeakPolarHBondContact CA-O 3.42Å; H2128-S2404 VanDerWaalsContact N-CB 3.3Å; H2128-S2404 PolarHBondContact O-N 3.35Å; A2129-S2404 WeakPolarHBondContact CA-O 3.32Å; A2129-S2404 PolarHBondContact N-O 2.91Å | ||
| 2405 | T | 29.2 | Very low | 27.4 | Very low | 88.6667 Ų | 88.6667 | 130.9 Ų | 130.9 | 54% | 0.544 | 71% | 0.706 | S | S | . | * | trans | 25.4 | 129.9 | 152 | 56.9 | 0 | 0 | 0 | 0 | 123.3 | H2128 | H2128-T2405 VanDerWaalsContact CA-OG1 3.24Å; H2128-T2405 WeakPolarHBondContact CA-OG1 3.14Å; H2128-T2405 PolarHBondContact CD2-OG1 3.5Å; H2128-T2405 VanDerWaalsContact CD2-OG1 3.31Å; H2128-T2405 PolarHBondContact CE1-O 3.27Å; H2128-T2405 PolarHBondContact CE1-OG1 3.19Å; H2128-T2405 VanDerWaalsContact CE1-OG1 3.32Å; H2128-T2405 PolarHBondContact N-OG1 3.01Å; H2128-T2405 PolarHBondContact ND1-O 3.03Å; H2128-T2405 PolarHBondContact ND1-OG1 3.47Å; H2128-T2405 VanDerWaalsContact ND1-OG1 3.09Å; H2128-T2405 PolarHBondContact NE2-OG1 3.16Å | ||
| 2406 | N | 26.4 | Very low | 27.3 | Very low | 128.667 Ų | 128.667 | 132 Ų | 132 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | 109.7 | 143.1 | 91.7 | -80.7 | -2.1 | 0 | 0 | 0 | 120.1 | |||||
| 2407 | N | 28.2 | Very low | 27.4 | Very low | 128.333 Ų | 128.333 | 130.9 Ų | 130.9 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | trans | 71.2 | 124.6 | 144.5 | -60.6 | -11.9 | 0 | 0 | 0 | 120.4 | ||||
| 2408 | N | 27 | Very low | 27.5 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | 84.7 | 113.9 | 62.1 | -75.8 | -18.9 | 0 | 0 | 0 | 115.7 | |||||
| 2409 | Y | 27.9 | Very low | 27.5 | Very low | 214.333 Ų | 214.333 | 130.4 Ų | 130.4 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | trans | -167.3 | 111.7 | 137.9 | -93.8 | -82.7 | 0 | 0 | 0 | 111.9 | ||||
| 2410 | V | 26.4 | Very low | 27.6 | Very low | 106.667 Ų | 106.667 | 131 Ų | 131 | 65% | 0.646 | 71% | 0.707 | S | S | * | * | 42.7 | 115.3 | 99.8 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 2411 | N | 28.6 | Very low | 27.6 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | -177.8 | 125.9 | 125.5 | -87.2 | -40.8 | 0 | 0 | 0 | 110.7 | |||||
| 2412 | N | 24.7 | Very low | 27.7 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -55.6 | 164.9 | 148.3 | -79.8 | -23.6 | 0 | 0 | 0 | 111.6 | ||||
| 2413 | V | 27.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 117.8 | 91.5 | 165.6 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | L2415 | V2413-L2415 HydrophobicContact CG1-CD1 4.21Š| ||
| 2414 | N | 25.7 | Very low | 27.6 | Very low | 131.333 Ų | 131.333 | 128.3 Ų | 128.3 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | 75.3 | 130.1 | 104.1 | -161.8 | 22.2 | 0 | 0 | 0 | 114.4 | |||||
| 2415 | L | 26.4 | Very low | 27.5 | Very low | 133.667 Ų | 133.667 | 128.9 Ų | 128.9 | 70% | 0.7 | 72% | 0.719 | S | S | * | * | trans | 90.2 | 102.9 | 156 | -74 | 170 | 0 | 0 | 0 | 117.6 | V2413 T2417 | V2413-L2415 HydrophobicContact CG1-CD1 4.21Å; L2415-T2417 PolarHBondContact O-N 2.71Å | ||
| 2416 | N | 24.7 | Very low | 27.5 | Very low | 134.333 Ų | 134.333 | 130.5 Ų | 130.5 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 28.5 | 123.3 | 138.8 | -61.5 | -27.1 | 0 | 0 | 0 | 117 | ||||
| 2417 | T | 28.2 | Very low | 27.5 | Very low | 122.333 Ų | 122.333 | 131.2 Ų | 131.2 | 75% | 0.751 | 73% | 0.733 | S | S | * | * | trans | 166.5 | 130.6 | 147.8 | 37.7 | 0 | 0 | 0 | 0 | 111.8 | L2415 | L2415-T2417 PolarHBondContact O-N 2.71Š| ||
| 2418 | L | 29 | Very low | 27.5 | Very low | 157.667 Ų | 157.667 | 129.9 Ų | 129.9 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | -135.7 | 146.4 | 73.2 | -78 | 112 | 0 | 0 | 0 | 114 | |||||
| 2419 | S | 28.3 | Very low | 27.6 | Very low | 88.6667 Ų | 88.6667 | 130.7 Ų | 130.7 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | -165.8 | 150.6 | 95.8 | 25.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 2420 | D | 28.2 | Very low | 27.5 | Very low | 144.333 Ų | 144.333 | 125.7 Ų | 125.7 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | trans | 95.8 | 120.8 | 140.5 | -62.6 | -14.5 | 0 | 0 | 0 | 116.2 | ||||
| 2421 | S | 28.8 | Very low | 27.6 | Very low | 112.333 Ų | 112.333 | 125.7 Ų | 125.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | -130.9 | 120.8 | 107.1 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 2422 | T | 28.9 | Very low | 27.6 | Very low | 130.333 Ų | 130.333 | 125.5 Ų | 125.5 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -30 | 140.2 | 143.3 | 27.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2423 | V | 26.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | -140.5 | 160 | -9.3 | 170.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 2424 | I | 29.1 | Very low | 27.8 | Very low | 129.667 Ų | 129.667 | 123.8 Ų | 123.8 | 67% | 0.665 | 74% | 0.735 | S | S | * | * | -156.5 | 128.4 | 126.4 | -61.6 | 173.8 | 0 | 0 | 0 | 110.4 | N1647 | N1647-I2424 HydrophobicContact CB-CD1 3.97Å; N1647-I2424 HydrophobicContact CB-CG1 4.31Å; N1647-I2424 WeakPolarHBondContact OD1-CG2 3.28Å | |||
| 2425 | S | 26.3 | Very low | 27.9 | Very low | 88.6667 Ų | 88.6667 | 121.3 Ų | 121.3 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | cis | 138.4 | 110.1 | 32.5 | 108.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2426 | V | 29.6 | Very low | 28.1 | Very low | 123.667 Ų | 123.667 | 118.6 Ų | 118.6 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | -174.9 | 146.6 | 122.3 | -78.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2427 | N | 27.7 | Very low | 28.2 | Very low | 143.667 Ų | 143.667 | 119.9 Ų | 119.9 | 77% | 0.768 | 73% | 0.731 | S | S | * | * | trans | -151.7 | 166.4 | 157.2 | -80.3 | -23.3 | 0 | 0 | 0 | 111.5 | ||||
| 2428 | S | 26.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | -168.2 | 157.4 | 118.8 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2429 | L | 29.3 | Very low | 28.3 | Very low | 145.667 Ų | 145.667 | 117.6 Ų | 117.6 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -170 | 124.3 | 139.2 | -78.4 | 171.3 | 0 | 0 | 0 | 113.2 | ||||
| 2430 | S | 26.4 | Very low | 28.3 | Very low | 107.667 Ų | 107.667 | 119.2 Ų | 119.2 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -120.7 | 129.5 | 170.7 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2431 | S | 27.7 | Very low | 28.3 | Very low | 108.667 Ų | 108.667 | 123.3 Ų | 123.3 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | 173.1 | 127 | 136.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2432 | V | 28.7 | Very low | 28.2 | Very low | 139.667 Ų | 139.667 | 125.9 Ų | 125.9 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | -153.5 | 145.7 | 129 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 2433 | I | 27.9 | Very low | 28.3 | Very low | 133.667 Ų | 133.667 | 127.2 Ų | 127.2 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -135.8 | 148.4 | -137.9 | -88.4 | 166.7 | 0 | 0 | 0 | 110.6 | V2454 | I2433-V2454 PolarHBondContact O-N 3.02Š| ||
| 2434 | S | 29.3 | Very low | 28.4 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 94.7 | 145.2 | 161.6 | -77.7 | 0 | 0 | 0 | 0 | 114.4 | V2454 V2455 | S2434-V2454 CarbonylContact O-C 3.55Å; S2434-V2454 WeakPolarHBondContact O-CA 3.45Å; S2434-V2455 PolarHBondContact O-N 2.95Å | ||
| 2435 | S | 28.1 | Very low | 28.4 | Very low | 79.3333 Ų | 79.3333 | 126.6 Ų | 126.6 | 56% | 0.555 | 74% | 0.743 | S | S | * | * | cis | -150.4 | 163.1 | -38 | 50.8 | 0 | 0 | 0 | 0 | 108.7 | V2454 | S2435-V2454 WeakPolarHBondContact OG-CG2 3.21Š| ||
| 2436 | A | 29.4 | Very low | 28.6 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | cis | -153.5 | 140.6 | 41.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2437 | L | 27.6 | Very low | 28.6 | Very low | 161.333 Ų | 161.333 | 126.7 Ų | 126.7 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | 57 | 126 | 140.4 | -74.9 | 166.9 | 0 | 0 | 0 | 114.3 | ||||
| 2438 | T | 29.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | 172.9 | 143.2 | 119.5 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2439 | S | 29.5 | Very low | 28.9 | Very low | 104.667 Ų | 104.667 | 125.3 Ų | 125.3 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | cis | -166.9 | 141.6 | 25.6 | -167.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 2440 | T | 28 | Very low | 28.9 | Very low | 122.667 Ų | 122.667 | 124 Ų | 124 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -43.1 | 135.3 | 167 | -53.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2441 | R | 29.7 | Very low | 29.1 | Very low | 231 Ų | 231 | 124.3 Ų | 124.3 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | -153.1 | 136.9 | 111.6 | -122.2 | 165.9 | -174.1 | -157.6 | 1.3 | 111.1 | |||||
| 2442 | Q | 27.1 | Very low | 29.3 | Very low | 165.667 Ų | 165.667 | 123.7 Ų | 123.7 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | trans | -54.7 | 153.7 | 146.9 | -66.1 | 170.5 | -44 | 0 | 0 | 112.1 | ||||
| 2443 | L | 30.4 | Very low | 29.4 | Very low | 157.667 Ų | 157.667 | 122.8 Ų | 122.8 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | -150 | 152.4 | 107.2 | -102.5 | 151.7 | 0 | 0 | 0 | 110.8 | |||||
| 2444 | T | 29.1 | Very low | 29.5 | Very low | 116.333 Ų | 116.333 | 121.1 Ų | 121.1 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -92.4 | 156.9 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2445 | T | 29.4 | Very low | 29.6 | Very low | 119.333 Ų | 119.333 | 122.1 Ų | 122.1 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | -149.2 | 157.4 | 160.1 | 33.6 | 0 | 0 | 0 | 0 | 112.5 | D1858 | D1858-T2445 PolarHBondContact OD2-OG1 3.21Š| ||
| 2446 | S | 29.4 | Very low | 29.7 | Very low | 103.333 Ų | 103.333 | 125 Ų | 125 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | cis | -167.1 | 154.4 | 14.5 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2447 | N | 30.2 | Very low | 29.8 | Very low | 111.667 Ų | 111.667 | 126.6 Ų | 126.6 | 60% | 0.597 | 74% | 0.742 | S | S | * | * | trans | -94.9 | 152.3 | 177.7 | -62.4 | -12.3 | 0 | 0 | 0 | 111.9 | T1854 E1855 | T1854-N2447 WeakPolarHBondContact O-CB 3.21Å; T1854-N2447 PolarHBondContact O-ND2 3.02Å; T1854-N2447 VanDerWaalsContact O-ND2 3.09Å; T1854-N2447 PolarHBondContact O-OD1 2.68Å; E1855-N2447 VanDerWaalsContact OE1-CB 3.3Å; E1855-N2447 WeakPolarHBondContact OE1-CB 3.44Å; E1855-N2447 PolarHBondContact OE1-ND2 2.64Å | ||
| 2448 | T | 31.1 | Very low | 29.9 | Very low | 134.333 Ų | 134.333 | 122.8 Ų | 122.8 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | -165.7 | 145.9 | 85.5 | 24.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2449 | A | 30 | Very low | 29.9 | Very low | 80.3333 Ų | 80.3333 | 123.9 Ų | 123.9 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | trans | -88 | 150.6 | 135 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2450 | S | 29 | Very low | 30 | Very low | 118.333 Ų | 118.333 | 122.9 Ų | 122.9 | 83% | 0.828 | 72% | 0.72 | S | S | * | * | 71.9 | 127.5 | 122.9 | -60 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 2451 | S | 31.3 | Very low | 30.1 | Very low | 113.333 Ų | 113.333 | 122.9 Ų | 122.9 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | cis | -164.2 | 162.5 | 29.7 | 135 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2452 | S | 31.3 | Very low | 30.2 | Very low | 96.3333 Ų | 96.3333 | 120.2 Ų | 120.2 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | trans | 14.4 | 140.4 | 161.4 | -163.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2453 | V | 30.6 | Very low | 30.3 | Very low | 121.667 Ų | 121.667 | 115.3 Ų | 115.3 | 74% | 0.737 | 71% | 0.707 | S | S | * | * | -150.9 | 137.2 | 67.6 | 155.7 | 0 | 0 | 0 | 0 | 109.6 | V2455 | V2453-V2455 HydrophobicContact CG1-CG2 4.3Š| |||
| 2454 | V | 29.6 | Very low | 30.3 | Very low | 98.6667 Ų | 98.6667 | 113 Ų | 113 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | trans | -97.1 | 126.9 | 151.5 | -175.8 | 0 | 0 | 0 | 0 | 113.5 | I2433 S2434 S2435 | I2433-V2454 PolarHBondContact O-N 3.02Å; S2434-V2454 CarbonylContact O-C 3.55Å; S2434-V2454 WeakPolarHBondContact O-CA 3.45Å; S2435-V2454 WeakPolarHBondContact OG-CG2 3.21Å | ||
| 2455 | V | 31 | Very low | 30.3 | Very low | 124.333 Ų | 124.333 | 114.5 Ų | 114.5 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -159.9 | 129.9 | 146.9 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | S2434 V2453 | S2434-V2455 PolarHBondContact O-N 2.95Å; V2453-V2455 HydrophobicContact CG1-CG2 4.3Å | ||
| 2456 | H | 30.2 | Very low | 30.3 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | trans | -82.4 | 150 | 162.8 | -109.9 | -106.3 | 0 | 0 | 0 | 114 | V2642 | H2456-V2642 HydrophobicContact CB-CG1 4Å; H2456-V2642 VanDerWaalsContact CG-CG1 3.45Å; H2456-V2642 WeakPolarHBondContact ND1-CG1 3.48Å | ||
| 2457 | P | 32.5 | Very low | 30.2 | Very low | 110.333 Ų | 110.333 | 116.2 Ų | 116.2 | 72% | 0.716 | 71% | 0.709 | S | S | * | * | -133.4 | 161.4 | 95.5 | 38.2 | -23.3 | 0 | 0 | 0 | 114.6 | |||||
| 2458 | S | 29.6 | Very low | 30.3 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | 107.2 | 129.7 | 124.2 | 69.8 | 0 | 0 | 0 | 0 | 118 | S2297 S2299 | S2297-S2458 WeakPolarHBondContact OG-CB 3.16Å; S2299-S2458 PolarHBondContact OG-O 3.43Å | |||
| 2459 | M | 30 | Very low | 30.3 | Very low | 150.333 Ų | 150.333 | 117.2 Ų | 117.2 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | 116.3 | 136.8 | 158.3 | -68.6 | -130.2 | 89.9 | 0 | 0 | 115.9 | T2295 S2297 | T2295-M2459 WeakPolarHBondContact O-CE 3.31Å; S2297-M2459 VanDerWaalsContact O-O 3.13Å; S2297-M2459 VanDerWaalsContact OG-C 3.26Å; S2297-M2459 VanDerWaalsContact OG-CA 3.27Å; S2297-M2459 WeakPolarHBondContact OG-CA 3.48Å; S2297-M2459 WeakPolarHBondContact OG-CB 3.29Å; S2297-M2459 WeakPolarHBondContact OG-CG 3.13Å; S2297-M2459 PolarHBondContact OG-N 3.2Å; S2297-M2459 PolarHBondContact OG-O 2.87Å; S2297-M2459 VanDerWaalsContact OG-O 3.12Å | ||
| 2460 | S | 31.2 | Very low | 30.2 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | trans | 54.4 | 147.4 | 157.3 | -65 | 0 | 0 | 0 | 0 | 118.6 | P2296 S2297 | P2296-S2460 WeakPolarHBondContact CA-OG 3.38Å; P2296-S2460 WeakPolarHBondContact CB-OG 3.46Å; S2297-S2460 PolarHBondContact N-OG 3.49Å; S2297-S2460 WeakPolarHBondContact O-CB 3.34Å | ||
| 2461 | D | 30.4 | Very low | 30.1 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | 179.1 | 145.7 | 87 | -112.1 | -5.7 | 0 | 0 | 0 | 117.8 | P2296 | P2296-D2461 VanDerWaalsContact CB-CG 3.43Å; P2296-D2461 VanDerWaalsContact CB-OD1 3.25Å; P2296-D2461 WeakPolarHBondContact CB-OD1 3.31Å; P2296-D2461 VanDerWaalsContact CB-OD2 3.25Å; P2296-D2461 WeakPolarHBondContact CB-OD2 3.22Å | |||
| 2462 | Q | 30.1 | Very low | 30 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | 90.6 | 147.4 | 143 | -63.6 | -85.2 | -15.7 | 0 | 0 | 119.1 | ||||
| 2463 | G | 30.8 | Very low | 29.8 | Very low | 63.3333 Ų | 63.3333 | 126.1 Ų | 126.1 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | trans | 111.8 | 125 | 138 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2464 | S | 28.6 | Very low | 29.7 | Very low | 109.333 Ų | 109.333 | 126.8 Ų | 126.8 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 65.3 | 140.1 | 139.4 | -135.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2465 | I | 29.4 | Very low | 29.6 | Very low | 146.667 Ų | 146.667 | 126.9 Ų | 126.9 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | cis | -168.3 | 151.6 | 30.7 | -31 | 156.9 | 0 | 0 | 0 | 110.4 | ||||
| 2466 | I | 30.5 | Very low | 29.5 | Very low | 154.333 Ų | 154.333 | 129.8 Ų | 129.8 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 9.5 | 143.2 | 135.1 | 14.5 | 148.2 | 0 | 0 | 0 | 119.5 | ||||
| 2467 | S | 27.9 | Very low | 29.4 | Very low | 105.667 Ų | 105.667 | 128.2 Ų | 128.2 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | -78 | 144.6 | 153.8 | -53.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2468 | E | 31.2 | Very low | 29.2 | Very low | 195.667 Ų | 195.667 | 129 Ų | 129 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | 176 | 151.6 | 151 | -81.3 | 174.1 | -163.3 | 0 | 0 | 112.1 | ||||
| 2469 | G | 30.6 | Very low | 29.2 | Very low | 69.6667 Ų | 69.6667 | 130 Ų | 130 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 171.7 | 119.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2471 | G2469-S2471 VanDerWaalsContact C-N 3.34Å; G2469-S2471 PolarHBondContact O-N 3.47Å; G2469-S2471 PolarHBondContact O-OG 3.47Å | ||
| 2470 | D | 27.9 | Very low | 29.1 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 126.3 | 177.4 | -71.9 | -67.7 | 0 | 0 | 0 | 113 | C2472 | D2470-C2472 PolarHBondContact O-N 3.23Š| ||
| 2471 | S | 26.7 | Very low | 29 | Very low | 112.333 Ų | 112.333 | 129.5 Ų | 129.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -160.9 | 141.4 | 144 | -75.3 | 0 | 0 | 0 | 0 | 113.4 | G2469 | G2469-S2471 VanDerWaalsContact C-N 3.34Å; G2469-S2471 PolarHBondContact O-N 3.47Å; G2469-S2471 PolarHBondContact O-OG 3.47Å | ||
| 2472 | C | 30.3 | Very low | 29 | Very low | 120.667 Ų | 120.667 | 132.6 Ų | 132.6 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | 46.6 | 86.9 | 163.1 | -65.7 | 0 | 0 | 0 | 0 | 115.1 | D2470 | D2470-C2472 PolarHBondContact O-N 3.23Š| ||
| 2473 | R | 27.3 | Very low | 29 | Very low | 197.667 Ų | 197.667 | 127.9 Ų | 127.9 | 75% | 0.746 | 79% | 0.793 | S | S | * | * | 87.3 | 134.6 | 78.2 | -97.6 | -170.3 | 151.3 | -164 | 1.9 | 113.6 | E2019 | E2019-R2473 PolarHBondContact O-NH2 3.35Š| |||
| 2474 | L | 27 | Very low | 29 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 51.1 | 100.6 | 158 | -74 | 158.1 | 0 | 0 | 0 | 118.5 | E2522 | L2474-E2522 WeakPolarHBondContact CD2-OE2 3.43Š| ||
| 2475 | A | 28.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -142 | 120.7 | 131.4 | 0 | 0 | 0 | 0 | 0 | 110 | S2477 | A2475-S2477 PolarHBondContact O-N 3.04Š| ||
| 2476 | E | 28.4 | Very low | 29.1 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -104.3 | 130.9 | -177.1 | -144.4 | 169.3 | -168.8 | 0 | 0 | 111.4 | ||||
| 2477 | S | 28.3 | Very low | 29.1 | Very low | 107.333 Ų | 107.333 | 133.7 Ų | 133.7 | 75% | 0.751 | 80% | 0.798 | S | S | * | * | trans | -143.8 | 119.6 | 175 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | A2475 | A2475-S2477 PolarHBondContact O-N 3.04Š| ||
| 2478 | V | 28 | Very low | 29.3 | Very low | 127.667 Ų | 127.667 | 133 Ų | 133 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | 23.7 | 115.2 | 159.2 | -172.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2479 | A | 30.7 | Very low | 29.1 | Very low | 101.333 Ų | 101.333 | 133.6 Ų | 133.6 | 84% | 0.837 | 79% | 0.786 | S | S | * | * | trans | -156.3 | 112.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2480 | D | 26.9 | Very low | 29 | Very low | 153.333 Ų | 153.333 | 135 Ų | 135 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -80 | 146.7 | 169.7 | -82.4 | -64 | 0 | 0 | 0 | 110.5 | ||||
| 2481 | G | 29.1 | Very low | 29.1 | Very low | 72.3333 Ų | 72.3333 | 134 Ų | 134 | 75% | 0.746 | 78% | 0.78 | S | S | * | * | trans | 157.1 | 91.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2482 | L | 30.4 | Very low | 29.2 | Very low | 186 Ų | 186 | 135 Ų | 135 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | trans | -21.4 | 134.2 | 148.5 | -71.9 | 166.5 | 0 | 0 | 0 | 113.9 | ||||
| 2483 | G | 31.3 | Very low | 29.2 | Very low | 75.3333 Ų | 75.3333 | 133.8 Ų | 133.8 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -177.7 | 114.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 2484 | D | 30.2 | Very low | 29.3 | Very low | 146.667 Ų | 146.667 | 129.7 Ų | 129.7 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -96.3 | 144 | 166.7 | -119.4 | -28.3 | 0 | 0 | 0 | 110.4 | N2486 | D2484-N2486 PolarHBondContact OD1-ND2 3.24Š| ||
| 2485 | E | 31.3 | Very low | 29.5 | Very low | 168.333 Ų | 168.333 | 127.7 Ų | 127.7 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 163.7 | 127.5 | 144.7 | -90.9 | -63.7 | 118.4 | 0 | 0 | 113.3 | ||||
| 2486 | N | 29.5 | Very low | 29.6 | Very low | 124.333 Ų | 124.333 | 128.3 Ų | 128.3 | 67% | 0.665 | 76% | 0.758 | S | S | * | * | trans | -92.8 | 137 | 172.1 | -70.4 | -73.8 | 0 | 0 | 0 | 116.1 | D2484 | D2484-N2486 PolarHBondContact OD1-ND2 3.24Š| ||
| 2487 | N | 29.7 | Very low | 29.8 | Very low | 155.333 Ų | 155.333 | 123.3 Ų | 123.3 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | 167.2 | 140.3 | 124.6 | -127.9 | -6 | 0 | 0 | 0 | 114.7 | |||||
| 2488 | P | 31.9 | Very low | 29.9 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 60% | 0.597 | 76% | 0.76 | S | S | * | * | trans | -101.9 | 174.1 | 176.1 | 35.3 | -25.7 | 0 | 0 | 0 | 113.3 | ||||
| 2489 | Y | 26.3 | Very low | 30.1 | Very low | 207.333 Ų | 207.333 | 127.8 Ų | 127.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 135.9 | 138.3 | 141.3 | -84.5 | -69.9 | 0 | 0 | 0 | 115.9 | ||||
| 2490 | S | 28.4 | Very low | 30 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 71.2 | 149.6 | 161.1 | 82.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2491 | N | 30.5 | Very low | 30.2 | Very low | 143.667 Ų | 143.667 | 128.8 Ų | 128.8 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | cis | -146.6 | 151.1 | -10.5 | -100 | -33.9 | 0 | 0 | 0 | 110.3 | ||||
| 2492 | N | 27.9 | Very low | 30.1 | Very low | 132.667 Ų | 132.667 | 131.4 Ų | 131.4 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | 35.8 | 123.8 | 126.5 | -89.5 | -11.7 | 0 | 0 | 0 | 116.6 | |||||
| 2493 | S | 32.3 | Very low | 30.2 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 165 | 120.9 | 140.4 | 53 | 0 | 0 | 0 | 0 | 114.2 | H2851 | S2493-H2851 PolarHBondContact O-ND1 2.91Š| ||
| 2494 | N | 28.7 | Very low | 30.2 | Very low | 111.333 Ų | 111.333 | 130.5 Ų | 130.5 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | cis | 104.9 | 121.1 | 38.5 | -77.7 | -12.7 | 0 | 0 | 0 | 113.2 | H2851 F2853 I2854 | N2494-H2851 VanDerWaalsContact C-C 3.5Å; N2494-H2851 CarbonylContact C-O 3.54Å; N2494-F2853 HydrophobicContact CB-CB 3.85Å; N2494-F2853 HydrophobicContact CB-CD1 3.59Å; N2494-F2853 HydrophobicContact CB-CD2 3.41Å; N2494-F2853 VanDerWaalsContact CB-CD2 3.41Å; N2494-F2853 HydrophobicContact CB-CE1 3.75Å; N2494-F2853 HydrophobicContact CB-CE2 3.56Å; N2494-F2853 HydrophobicContact CB-CG 3.36Å; N2494-F2853 HydrophobicContact CB-CZ 3.7Å; N2494-F2853 VanDerWaalsContact CB-N 3.3Å; N2494-F2853 VanDerWaalsContact CG-CD1 3.5Å; N2494-F2853 WeakPolarHBondContact ND2-CD1 3.44Å; N2494-F2853 WeakPolarHBondContact ND2-CE1 3.47Å; N2494-F2853 WeakPolarHBondContact OD1-CA 3.34Å; N2494-F2853 PolarHBondContact OD1-N 2.67Å; N2494-I2854 PolarHBondContact ND2-O 2.87Å; N2494-I2854 VanDerWaalsContact ND2-O 3.11Å; N2494-I2854 PolarHBondContact OD1-N 2.79Å | ||
| 2495 | S | 31.4 | Very low | 30.3 | Very low | 93.6667 Ų | 93.6667 | 130.5 Ų | 130.5 | 66% | 0.655 | 75% | 0.748 | S | S | * | * | trans | 165.9 | 86.9 | 155.5 | -154.6 | 0 | 0 | 0 | 0 | 113.6 | H2851 S2852 F2853 | S2495-H2851 CarbonylContact C-O 3.6Å; S2495-H2851 WeakPolarHBondContact CA-O 3.36Å; S2495-H2851 PolarHBondContact N-O 2.8Å; S2495-H2851 VanDerWaalsContact N-O 3.1Å; S2495-S2852 CarbonylContact C-O 3.58Å; S2495-S2852 WeakPolarHBondContact CA-O 3.49Å; S2495-S2852 PolarHBondContact N-O 3.37Å; S2495-F2853 VanDerWaalsContact OG-CD2 3.25Å; S2495-F2853 WeakPolarHBondContact OG-CD2 3.31Å; S2495-F2853 WeakPolarHBondContact OG-CE2 3.3Å | ||
| 2496 | S | 31.3 | Very low | 30.4 | Very low | 115.333 Ų | 115.333 | 129.6 Ų | 129.6 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | 37.7 | 127.4 | 111.6 | 33.7 | 0 | 0 | 0 | 0 | 117.5 | S2852 | S2496-S2852 PolarHBondContact N-O 3.42Š| |||
| 2497 | G | 32.1 | Very low | 30.7 | Very low | 77.6667 Ų | 77.6667 | 130.7 Ų | 130.7 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | 172.7 | 100.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2498 | D | 29.9 | Very low | 31 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 149.8 | -176.4 | -61.1 | -83.7 | 0 | 0 | 0 | 114.2 | ||||
| 2499 | L | 32.8 | Very low | 31.3 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | -169.2 | 135.9 | 117.3 | -102.4 | 171.2 | 0 | 0 | 0 | 111.8 | |||||
| 2500 | S | 28 | Very low | 31.7 | Very low | 100.667 Ų | 100.667 | 133.8 Ų | 133.8 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | trans | -92.2 | 147.4 | -179 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2501 | L | 31.6 | Very low | 31.9 | Very low | 173.333 Ų | 173.333 | 135.3 Ų | 135.3 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | trans | -153.8 | 116 | 136.8 | -97.5 | 171.8 | 0 | 0 | 0 | 111.4 | ||||
| 2502 | N | 27.3 | Very low | 32.2 | Very low | 127.333 Ų | 127.333 | 132.7 Ų | 132.7 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | -65.5 | 129.8 | 165.5 | -175.6 | 13.7 | 0 | 0 | 0 | 114.4 | N2504 | N2502-N2504 PolarHBondContact OD1-N 3.45Š| ||
| 2503 | S | 31.6 | Very low | 32.6 | Very low | 103.333 Ų | 103.333 | 128.8 Ų | 128.8 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -166.1 | 110.7 | 154.1 | -73.6 | 0 | 0 | 0 | 0 | 115.1 | N2505 | S2503-N2505 PolarHBondContact O-N 3.38Š| ||
| 2504 | N | 31.1 | Very low | 33.2 | Very low | 140.333 Ų | 140.333 | 128.6 Ų | 128.6 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | trans | -39.7 | 116.1 | 141.7 | -80.1 | -29.5 | 0 | 0 | 0 | 114.5 | N2502 N2506 | N2502-N2504 PolarHBondContact OD1-N 3.45Å; N2504-N2506 VanDerWaalsContact C-N 3.33Å; N2504-N2506 PolarHBondContact O-N 3.21Å | ||
| 2505 | N | 32.6 | Very low | 34.2 | Very low | 145.667 Ų | 145.667 | 127.1 Ų | 127.1 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -98.2 | 103.1 | 155 | -81.4 | -46.5 | 0 | 0 | 0 | 111.4 | S2503 N2507 | S2503-N2505 PolarHBondContact O-N 3.38Å; N2505-N2507 PolarHBondContact O-N 3.48Å | ||
| 2506 | N | 34.4 | Very low | 35 | Very low | 149.333 Ų | 149.333 | 125.2 Ų | 125.2 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -158.4 | 52.3 | 154.9 | -79.2 | -23.5 | 0 | 0 | 0 | 114.8 | N2504 | N2504-N2506 VanDerWaalsContact C-N 3.33Å; N2504-N2506 PolarHBondContact O-N 3.21Å | ||
| 2507 | N | 35.5 | Very low | 36.3 | Very low | 147.667 Ų | 147.667 | 126.2 Ų | 126.2 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -136.6 | 39.3 | 173.9 | -88.8 | -40.8 | 0 | 0 | 0 | 113.1 | N2505 L2511 | N2505-N2507 PolarHBondContact O-N 3.48Å; N2507-L2511 PolarHBondContact O-N 3.26Å | ||
| 2508 | K | 35.4 | Very low | 37.7 | Very low | 181.667 Ų | 181.667 | 125.3 Ų | 125.3 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -81.9 | -42.5 | -171.8 | -157.3 | 175.6 | 178.4 | -168.8 | 0 | 113.3 | K2510 L2511 S2512 | K2508-K2510 VanDerWaalsContact C-N 3.34Å; K2508-K2510 PolarHBondContact O-N 3.22Å; K2508-L2511 PolarHBondContact O-N 3.27Å; K2508-S2512 PolarHBondContact O-N 2.95Å | ||
| 2509 | E | 37.6 | Very low | 39.8 | Very low | 170.667 Ų | 170.667 | 119.9 Ų | 119.9 | 80% | 0.798 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -51.4 | -26.4 | 173.7 | -59.3 | -174.8 | 149.5 | 0 | 0 | 115.4 | L2511 S2512 S2513 | E2509-L2511 VanDerWaalsContact C-N 3.32Å; E2509-L2511 PolarHBondContact O-N 3.11Å; E2509-S2512 WeakPolarHBondContact O-CB 3.27Å; E2509-S2512 PolarHBondContact O-N 2.89Å; E2509-S2513 PolarHBondContact O-N 3.4Å |
| 2510 | K | 34.9 | Very low | 42.1 | Very low | 167 Ų | 167 | 115.4 Ų | 115.4 | 73% | 0.726 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -80.7 | -15.7 | -176.5 | -146 | 172 | -173.4 | 176.6 | 0 | 114.9 | K2508 S2513 N2514 | K2508-K2510 VanDerWaalsContact C-N 3.34Å; K2508-K2510 PolarHBondContact O-N 3.22Å; K2510-S2513 PolarHBondContact O-N 3.42Å; K2510-S2513 PolarHBondContact O-OG 3.22Å; K2510-N2514 PolarHBondContact O-N 2.88Å |
| 2511 | L | 33.3 | Very low | 44.7 | Very low | 132 Ų | 132 | 114 Ų | 114 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -80.3 | -39.9 | 176.4 | -122.8 | 71.6 | 0 | 0 | 0 | 112.9 | N2507 K2508 E2509 S2513 N2514 T2515 | N2507-L2511 PolarHBondContact O-N 3.26Å; K2508-L2511 PolarHBondContact O-N 3.27Å; E2509-L2511 VanDerWaalsContact C-N 3.32Å; E2509-L2511 PolarHBondContact O-N 3.11Å; L2511-S2513 VanDerWaalsContact C-N 3.25Å; L2511-S2513 PolarHBondContact O-N 3.18Å; L2511-N2514 PolarHBondContact O-N 3.24Å; L2511-T2515 PolarHBondContact O-N 2.98Å; L2511-T2515 VanDerWaalsContact O-N 3.14Å; L2511-T2515 PolarHBondContact O-OG1 3.11Å |
| 2512 | S | 37.2 | Very low | 47.2 | Very low | 90 Ų | 90 | 110.3 Ų | 110.3 | 63% | 0.629 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62 | -31.6 | -176.6 | -162.8 | 0 | 0 | 0 | 0 | 113.2 | K2508 E2509 N2514 T2515 A2516 | K2508-S2512 PolarHBondContact O-N 2.95Å; E2509-S2512 WeakPolarHBondContact O-CB 3.27Å; E2509-S2512 PolarHBondContact O-N 2.89Å; S2512-N2514 VanDerWaalsContact C-N 3.27Å; S2512-N2514 PolarHBondContact O-N 3.32Å; S2512-T2515 PolarHBondContact O-N 3.22Å; S2512-A2516 PolarHBondContact O-N 3.28Å; S2512-A2516 VanDerWaalsContact O-N 3.14Å |
| 2513 | S | 36.8 | Very low | 50 | Low | 50.6667 Ų | 50.6667 | 105 Ų | 105 | 35% | 0.354 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.7 | -23.1 | 179.1 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | E2509 K2510 L2511 K2517 | E2509-S2513 PolarHBondContact O-N 3.4Å; K2510-S2513 PolarHBondContact O-N 3.42Å; K2510-S2513 PolarHBondContact O-OG 3.22Å; L2511-S2513 VanDerWaalsContact C-N 3.25Å; L2511-S2513 PolarHBondContact O-N 3.18Å; S2513-K2517 VanDerWaalsContact O-CD 3.3Å; S2513-K2517 WeakPolarHBondContact O-CD 3.45Å; S2513-K2517 VanDerWaalsContact O-CG 3.27Å; S2513-K2517 WeakPolarHBondContact O-CG 3.36Å; S2513-K2517 PolarHBondContact O-N 2.97Å |
| 2514 | N | 43.1 | Very low | 52.7 | Low | 92.3333 Ų | 92.3333 | 105.4 Ų | 105.4 | 49% | 0.494 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -84.2 | -40.8 | -179.5 | -72.1 | -1.7 | 0 | 0 | 0 | 111.3 | K2510 L2511 S2512 A2516 K2517 S2518 | K2510-N2514 PolarHBondContact O-N 2.88Å; L2511-N2514 PolarHBondContact O-N 3.24Å; S2512-N2514 VanDerWaalsContact C-N 3.27Å; S2512-N2514 PolarHBondContact O-N 3.32Å; N2514-A2516 VanDerWaalsContact C-N 3.34Å; N2514-A2516 PolarHBondContact O-N 3.09Å; N2514-K2517 PolarHBondContact O-N 3.11Å; N2514-S2518 PolarHBondContact O-N 3.02Å |
| 2515 | T | 50.6 | Low | 55.6 | Low | 80.3333 Ų | 80.3333 | 101.3 Ų | 101.3 | 49% | 0.493 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.2 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | L2511 S2512 K2517 S2518 T2519 | L2511-T2515 PolarHBondContact O-N 2.98Å; L2511-T2515 VanDerWaalsContact O-N 3.14Å; L2511-T2515 PolarHBondContact O-OG1 3.11Å; S2512-T2515 PolarHBondContact O-N 3.22Å; T2515-K2517 VanDerWaalsContact C-N 3.33Å; T2515-K2517 PolarHBondContact O-N 3.25Å; T2515-S2518 WeakPolarHBondContact O-CB 3.37Å; T2515-S2518 PolarHBondContact O-N 3.02Å; T2515-S2518 VanDerWaalsContact O-N 3.15Å; T2515-T2519 PolarHBondContact O-N 3.12Å; T2515-T2519 VanDerWaalsContact O-N 3.14Å; T2515-T2519 PolarHBondContact O-OG1 3.17Å |
| 2516 | A | 48.9 | Very low | 58.3 | Low | 52.3333 Ų | 52.3333 | 95.8 Ų | 95.8 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2512 N2514 S2518 T2519 V2520 | S2512-A2516 PolarHBondContact O-N 3.28Å; S2512-A2516 VanDerWaalsContact O-N 3.14Å; N2514-A2516 VanDerWaalsContact C-N 3.34Å; N2514-A2516 PolarHBondContact O-N 3.09Å; A2516-S2518 VanDerWaalsContact C-N 3.34Å; A2516-S2518 PolarHBondContact O-N 2.87Å; A2516-T2519 PolarHBondContact O-N 3.33Å; A2516-T2519 PolarHBondContact O-OG1 3.32Å; A2516-V2520 WeakPolarHBondContact O-CG2 3.37Å; A2516-V2520 PolarHBondContact O-N 3.3Å |
| 2517 | K | 57.1 | Low | 60.9 | Low | 136.333 Ų | 136.333 | 94.4 Ų | 94.4 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 173.6 | -74.9 | 171.2 | -176.2 | 177.6 | 0 | 112.1 | S2513 N2514 T2515 T2519 V2520 S2521 | S2513-K2517 VanDerWaalsContact O-CD 3.3Å; S2513-K2517 WeakPolarHBondContact O-CD 3.45Å; S2513-K2517 VanDerWaalsContact O-CG 3.27Å; S2513-K2517 WeakPolarHBondContact O-CG 3.36Å; S2513-K2517 PolarHBondContact O-N 2.97Å; N2514-K2517 PolarHBondContact O-N 3.11Å; T2515-K2517 VanDerWaalsContact C-N 3.33Å; T2515-K2517 PolarHBondContact O-N 3.25Å; K2517-T2519 PolarHBondContact O-N 3.28Å; K2517-V2520 PolarHBondContact O-N 2.94Å; K2517-S2521 WeakPolarHBondContact O-CB 3.16Å; K2517-S2521 PolarHBondContact O-N 3.25Å; K2517-S2521 VanDerWaalsContact O-N 3.1Å; K2517-S2521 PolarHBondContact O-OG 3.25Å |
| 2518 | S | 62.5 | Low | 63.6 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 42% | 0.42 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 177.2 | -161.2 | 0 | 0 | 0 | 0 | 111.5 | N2514 T2515 A2516 V2520 S2521 E2522 | N2514-S2518 PolarHBondContact O-N 3.02Å; T2515-S2518 WeakPolarHBondContact O-CB 3.37Å; T2515-S2518 PolarHBondContact O-N 3.02Å; T2515-S2518 VanDerWaalsContact O-N 3.15Å; A2516-S2518 VanDerWaalsContact C-N 3.34Å; A2516-S2518 PolarHBondContact O-N 2.87Å; S2518-V2520 VanDerWaalsContact C-N 3.33Å; S2518-V2520 PolarHBondContact O-N 3.13Å; S2518-S2521 PolarHBondContact O-N 3.12Å; S2518-E2522 WeakPolarHBondContact O-CB 3.33Å; S2518-E2522 PolarHBondContact O-N 3.21Å |
| 2519 | T | 74.5 | Confident | 66.4 | Low | 42.6667 Ų | 42.6667 | 85.9 Ų | 85.9 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -34.1 | -179 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | T2515 A2516 K2517 E2522 L2523 | T2515-T2519 PolarHBondContact O-N 3.12Å; T2515-T2519 VanDerWaalsContact O-N 3.14Å; T2515-T2519 PolarHBondContact O-OG1 3.17Å; A2516-T2519 PolarHBondContact O-N 3.33Å; A2516-T2519 PolarHBondContact O-OG1 3.32Å; K2517-T2519 PolarHBondContact O-N 3.28Å; T2519-E2522 PolarHBondContact O-N 3.09Å; T2519-L2523 WeakPolarHBondContact O-CB 3.39Å; T2519-L2523 VanDerWaalsContact O-CG 3.32Å; T2519-L2523 WeakPolarHBondContact O-CG 3.42Å; T2519-L2523 PolarHBondContact O-N 3.12Å |
| 2520 | V | 80.2 | Confident | 69 | Low | 79.6667 Ų | 79.6667 | 77.9 Ų | 77.9 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | A2516 K2517 S2518 L2523 Q2524 | A2516-V2520 WeakPolarHBondContact O-CG2 3.37Å; A2516-V2520 PolarHBondContact O-N 3.3Å; K2517-V2520 PolarHBondContact O-N 2.94Å; S2518-V2520 VanDerWaalsContact C-N 3.33Å; S2518-V2520 PolarHBondContact O-N 3.13Å; V2520-L2523 PolarHBondContact O-N 3.16Å; V2520-Q2524 WeakPolarHBondContact O-CB 3.35Å; V2520-Q2524 PolarHBondContact O-N 2.91Å |
| 2521 | S | 82.5 | Confident | 71.7 | Confident | 72 Ų | 72 | 73.3 Ų | 73.3 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 174.3 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | K2517 S2518 Q2524 S2525 | K2517-S2521 WeakPolarHBondContact O-CB 3.16Å; K2517-S2521 PolarHBondContact O-N 3.25Å; K2517-S2521 VanDerWaalsContact O-N 3.1Å; K2517-S2521 PolarHBondContact O-OG 3.25Å; S2518-S2521 PolarHBondContact O-N 3.12Å; S2521-Q2524 PolarHBondContact O-N 3.13Å; S2521-S2525 PolarHBondContact O-N 2.81Å |
| 2522 | E | 84.8 | Confident | 74.6 | Confident | 95.6667 Ų | 95.6667 | 68.8 Ų | 68.8 | 45% | 0.447 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.3 | -172.2 | 172.6 | -167.6 | 0 | 0 | 111.5 | L2474 S2518 T2519 Q2524 S2525 L2526 | L2474-E2522 WeakPolarHBondContact CD2-OE2 3.43Å; S2518-E2522 WeakPolarHBondContact O-CB 3.33Å; S2518-E2522 PolarHBondContact O-N 3.21Å; T2519-E2522 PolarHBondContact O-N 3.09Å; E2522-Q2524 VanDerWaalsContact C-N 3.34Å; E2522-Q2524 PolarHBondContact O-N 3.28Å; E2522-S2525 WeakPolarHBondContact O-CB 3.44Å; E2522-S2525 PolarHBondContact O-N 3.22Å; E2522-S2525 VanDerWaalsContact O-N 3.08Å; E2522-S2525 PolarHBondContact O-OG 3.04Å; E2522-L2526 WeakPolarHBondContact O-CG 3.47Å; E2522-L2526 PolarHBondContact O-N 2.93Å |
| 2523 | L | 86.6 | Confident | 77.4 | Confident | 15.6667 Ų | 15.6667 | 64.7 Ų | 64.7 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 171.7 | -82.7 | 165.9 | 0 | 0 | 0 | 112.6 | F2020 A2023 L2024 L2027 T2519 V2520 S2525 L2526 K2527 | F2020-L2523 HydrophobicContact CD2-CD2 3.76Å; F2020-L2523 WeakPolarHBondContact CD2-O 3.42Å; F2020-L2523 HydrophobicContact CE2-CB 4.27Å; F2020-L2523 HydrophobicContact CE2-CD2 3.78Å; F2020-L2523 VanDerWaalsContact CE2-O 3.32Å; F2020-L2523 WeakPolarHBondContact CE2-O 3.35Å; A2023-L2523 HydrophobicContact CB-CD2 3.48Å; A2023-L2523 VanDerWaalsContact CB-CD2 3.47Å; A2023-L2523 HydrophobicContact CB-CG 4.26Å; L2024-L2523 HydrophobicContact CD2-CD1 4.11Å; L2024-L2523 HydrophobicContact CD2-CD2 3.81Å; L2024-L2523 HydrophobicContact CG-CD2 3.94Å; L2027-L2523 HydrophobicContact CD2-CD1 3.68Å; T2519-L2523 WeakPolarHBondContact O-CB 3.39Å; T2519-L2523 VanDerWaalsContact O-CG 3.32Å; T2519-L2523 WeakPolarHBondContact O-CG 3.42Å; T2519-L2523 PolarHBondContact O-N 3.12Å; V2520-L2523 PolarHBondContact O-N 3.16Å; L2523-S2525 VanDerWaalsContact C-N 3.31Å; L2523-S2525 PolarHBondContact O-N 3.14Å; L2523-L2526 PolarHBondContact O-N 3.07Å; L2523-K2527 WeakPolarHBondContact O-CB 3.44Å; L2523-K2527 PolarHBondContact O-N 3.29Å |
| 2524 | Q | 88.1 | Confident | 80.1 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 177 | -176.7 | 173.4 | -9.7 | 0 | 0 | 111.8 | V2520 S2521 E2522 K2527 L2528 N2882 | V2520-Q2524 WeakPolarHBondContact O-CB 3.35Å; V2520-Q2524 PolarHBondContact O-N 2.91Å; S2521-Q2524 PolarHBondContact O-N 3.13Å; E2522-Q2524 VanDerWaalsContact C-N 3.34Å; E2522-Q2524 PolarHBondContact O-N 3.28Å; Q2524-K2527 PolarHBondContact O-N 3.41Å; Q2524-L2528 HydrophobicContact CG-CD1 4.15Å; Q2524-L2528 WeakPolarHBondContact O-CB 3.41Å; Q2524-L2528 WeakPolarHBondContact O-CG 3.36Å; Q2524-L2528 PolarHBondContact O-N 3.39Å; Q2524-L2528 VanDerWaalsContact O-N 3.07Å; Q2524-N2882 PolarHBondContact NE2-OD1 3.15Å |
| 2525 | S | 90.4 | Very high | 82.6 | Confident | 55.3333 Ų | 55.3333 | 60.8 Ų | 60.8 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 177 | 78.8 | 0 | 0 | 0 | 0 | 112.2 | S2521 E2522 L2523 K2527 L2528 K2529 | S2521-S2525 PolarHBondContact O-N 2.81Å; E2522-S2525 WeakPolarHBondContact O-CB 3.44Å; E2522-S2525 PolarHBondContact O-N 3.22Å; E2522-S2525 VanDerWaalsContact O-N 3.08Å; E2522-S2525 PolarHBondContact O-OG 3.04Å; L2523-S2525 VanDerWaalsContact C-N 3.31Å; L2523-S2525 PolarHBondContact O-N 3.14Å; S2525-K2527 PolarHBondContact O-N 2.93Å; S2525-L2528 PolarHBondContact O-N 3.27Å; S2525-K2529 VanDerWaalsContact O-CB 3.27Å; S2525-K2529 WeakPolarHBondContact O-CB 3.36Å; S2525-K2529 PolarHBondContact O-N 2.98Å |
| 2526 | L | 89.1 | Confident | 84.6 | Confident | 30.3333 Ų | 30.3333 | 60.6 Ų | 60.6 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 175.4 | -72.7 | 170.4 | 0 | 0 | 0 | 111.5 | T2016 F2020 A2023 E2522 L2523 L2528 K2529 A2530 | T2016-L2526 HydrophobicContact CG2-CD2 4.05Å; F2020-L2526 HydrophobicContact CB-CB 4.2Å; F2020-L2526 HydrophobicContact CD2-CB 4.16Å; A2023-L2526 HydrophobicContact CB-CD1 4.47Å; E2522-L2526 WeakPolarHBondContact O-CG 3.47Å; E2522-L2526 PolarHBondContact O-N 2.93Å; L2523-L2526 PolarHBondContact O-N 3.07Å; L2526-L2528 PolarHBondContact O-N 3.19Å; L2526-K2529 PolarHBondContact O-N 2.99Å; L2526-A2530 WeakPolarHBondContact O-CB 3.34Å; L2526-A2530 PolarHBondContact O-N 3.14Å |
| 2527 | K | 90.6 | Very high | 86.8 | Confident | 119.667 Ų | 119.667 | 58.1 Ų | 58.1 | 52% | 0.52 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.9 | -173.4 | 171.7 | -178 | 171.4 | 0 | 112.4 | F2020 L2523 Q2524 S2525 K2529 A2530 Q2531 | F2020-K2527 HydrophobicContact CD2-CB 4.07Å; F2020-K2527 HydrophobicContact CE1-CD 4.49Å; F2020-K2527 HydrophobicContact CE2-CB 3.75Å; F2020-K2527 HydrophobicContact CE2-CD 4.36Å; F2020-K2527 HydrophobicContact CE2-CG 4.42Å; F2020-K2527 HydrophobicContact CZ-CB 4.13Å; F2020-K2527 HydrophobicContact CZ-CD 3.97Å; F2020-K2527 HydrophobicContact CZ-CG 4.3Å; L2523-K2527 WeakPolarHBondContact O-CB 3.44Å; L2523-K2527 PolarHBondContact O-N 3.29Å; Q2524-K2527 PolarHBondContact O-N 3.41Å; S2525-K2527 PolarHBondContact O-N 2.93Å; K2527-K2529 VanDerWaalsContact C-N 3.34Å; K2527-K2529 PolarHBondContact O-N 3.2Å; K2527-A2530 PolarHBondContact O-N 2.62Å; K2527-Q2531 WeakPolarHBondContact O-CB 3.35Å; K2527-Q2531 PolarHBondContact O-N 3.29Å |
| 2528 | L | 91.9 | Very high | 88.6 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -37 | 177.3 | -71.5 | 171.5 | 0 | 0 | 0 | 111.9 | Q2524 S2525 L2526 Q2531 A2532 Q2881 | Q2524-L2528 HydrophobicContact CG-CD1 4.15Å; Q2524-L2528 WeakPolarHBondContact O-CB 3.41Å; Q2524-L2528 WeakPolarHBondContact O-CG 3.36Å; Q2524-L2528 PolarHBondContact O-N 3.39Å; Q2524-L2528 VanDerWaalsContact O-N 3.07Å; S2525-L2528 PolarHBondContact O-N 3.27Å; L2526-L2528 PolarHBondContact O-N 3.19Å; L2528-Q2531 PolarHBondContact O-N 3.24Å; L2528-A2532 WeakPolarHBondContact O-CB 3.4Å; L2528-A2532 PolarHBondContact O-N 3.08Å; L2528-Q2881 HydrophobicContact CD1-CB 3.71Å; L2528-Q2881 HydrophobicContact CD1-CG 4.24Å |
| 2529 | K | 92.9 | Very high | 90.1 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 176.2 | -174.5 | 163.7 | 178.5 | 158.8 | 0 | 111.8 | E1980 T2016 S2525 L2526 K2527 Q2531 A2532 Y2533 | E1980-K2529 VanDerWaalsContact OE1-CE 3.32Å; E1980-K2529 WeakPolarHBondContact OE1-CE 3.34Å; E1980-K2529 IonicContact OE1-NZ 3.13Å; E1980-K2529 PolarHBondContact OE1-NZ 3.06Å; E1980-K2529 WeakPolarHBondContact OE2-CE 3.15Å; E1980-K2529 IonicContact OE2-NZ 2.76Å; E1980-K2529 PolarHBondContact OE2-NZ 3.09Å; T2016-K2529 HydrophobicContact CG2-CB 4.33Å; T2016-K2529 HydrophobicContact CG2-CG 4.3Å; S2525-K2529 VanDerWaalsContact O-CB 3.27Å; S2525-K2529 WeakPolarHBondContact O-CB 3.36Å; S2525-K2529 PolarHBondContact O-N 2.98Å; L2526-K2529 PolarHBondContact O-N 2.99Å; K2527-K2529 VanDerWaalsContact C-N 3.34Å; K2527-K2529 PolarHBondContact O-N 3.2Å; K2529-Q2531 PolarHBondContact O-N 3.26Å; K2529-A2532 PolarHBondContact O-N 3.25Å; K2529-Y2533 VanDerWaalsContact CE-CZ 3.41Å; K2529-Y2533 WeakPolarHBondContact CE-OH 3.27Å; K2529-Y2533 HydrophobicContact CG-CD2 4.47Å; K2529-Y2533 HydrophobicContact CG-CE1 4.22Å; K2529-Y2533 HydrophobicContact CG-CE2 4.04Å; K2529-Y2533 PolarHBondContact NZ-OH 2.89Å; K2529-Y2533 VanDerWaalsContact O-CG 3.32Å; K2529-Y2533 PolarHBondContact O-N 3.32Å |
| 2530 | A | 92.4 | Very high | 91 | Very high | 2.66667 Ų | 2.66667 | 51.3 Ų | 51.3 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y2013 T2016 L2526 K2527 A2532 Y2533 L2534 | Y2013-A2530 HydrophobicContact CD2-CB 4Å; Y2013-A2530 VanDerWaalsContact CD2-O 3.31Å; Y2013-A2530 WeakPolarHBondContact CD2-O 3.44Å; Y2013-A2530 HydrophobicContact CE2-CB 4.31Å; T2016-A2530 HydrophobicContact CG2-CB 4.1Å; L2526-A2530 WeakPolarHBondContact O-CB 3.34Å; L2526-A2530 PolarHBondContact O-N 3.14Å; K2527-A2530 PolarHBondContact O-N 2.62Å; A2530-A2532 VanDerWaalsContact C-N 3.34Å; A2530-A2532 PolarHBondContact O-N 3Å; A2530-Y2533 WeakPolarHBondContact O-CB 3.32Å; A2530-Y2533 PolarHBondContact O-N 2.92Å; A2530-L2534 PolarHBondContact O-N 3.11Å |
| 2531 | Q | 93 | Very high | 91.6 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -42 | 176.7 | -172 | 177.6 | 6.2 | 0 | 0 | 112.2 | K2527 L2528 K2529 Y2533 L2534 I2535 | K2527-Q2531 WeakPolarHBondContact O-CB 3.35Å; K2527-Q2531 PolarHBondContact O-N 3.29Å; L2528-Q2531 PolarHBondContact O-N 3.24Å; K2529-Q2531 PolarHBondContact O-N 3.26Å; Q2531-Y2533 VanDerWaalsContact C-N 3.32Å; Q2531-Y2533 PolarHBondContact O-N 3.14Å; Q2531-L2534 PolarHBondContact O-N 3.13Å; Q2531-I2535 HydrophobicContact CG-CD1 4.09Å; Q2531-I2535 VanDerWaalsContact O-CG1 3.31Å; Q2531-I2535 WeakPolarHBondContact O-CG1 3.4Å; Q2531-I2535 PolarHBondContact O-N 3.14Å |
| 2532 | A | 93.5 | Very high | 92 | Very high | 37.3333 Ų | 37.3333 | 46.7 Ų | 46.7 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.5 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2528 K2529 A2530 I2535 R2536 | L2528-A2532 WeakPolarHBondContact O-CB 3.4Å; L2528-A2532 PolarHBondContact O-N 3.08Å; K2529-A2532 PolarHBondContact O-N 3.25Å; A2530-A2532 VanDerWaalsContact C-N 3.34Å; A2530-A2532 PolarHBondContact O-N 3Å; A2532-I2535 PolarHBondContact O-N 2.93Å; A2532-R2536 WeakPolarHBondContact O-CG 3.39Å; A2532-R2536 PolarHBondContact O-N 3.32Å; A2532-R2536 VanDerWaalsContact O-N 3.16Å |
| 2533 | Y | 95.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 173.1 | -67.5 | -17.3 | 0 | 0 | 0 | 112.3 | E1980 W2009 L2012 T2016 K2529 A2530 Q2531 I2535 R2536 A2537 | E1980-Y2533 HydrophobicContact CG-CE1 4.31Å; E1980-Y2533 VanDerWaalsContact OE1-CE1 3.31Å; E1980-Y2533 WeakPolarHBondContact OE1-CE1 3.42Å; E1980-Y2533 PolarHBondContact OE1-OH 3.25Å; E1980-Y2533 PolarHBondContact OE2-OH 3.28Å; W2009-Y2533 AromaticContact CE3-CD1 3.66Å; W2009-Y2533 HydrophobicContact CE3-CD1 3.66Å; W2009-Y2533 AromaticContact CE3-CE1 4Å; W2009-Y2533 HydrophobicContact CE3-CE1 4.07Å; W2009-Y2533 HydrophobicContact CE3-CG 4.22Å; W2009-Y2533 HydrophobicContact CH2-CE1 4.42Å; W2009-Y2533 AromaticContact CZ3-CD1 3.53Å; W2009-Y2533 HydrophobicContact CZ3-CD1 3.53Å; W2009-Y2533 VanDerWaalsContact CZ3-CD1 3.49Å; W2009-Y2533 AromaticContact CZ3-CE1 3.51Å; W2009-Y2533 HydrophobicContact CZ3-CE1 3.51Å; W2009-Y2533 VanDerWaalsContact CZ3-CE1 3.43Å; W2009-Y2533 HydrophobicContact CZ3-CG 4.44Å; L2012-Y2533 VanDerWaalsContact C-CD2 3.47Å; L2012-Y2533 HydrophobicContact CB-CD2 3.7Å; L2012-Y2533 HydrophobicContact CB-CE2 3.65Å; L2012-Y2533 HydrophobicContact CB-CG 4.26Å; T2016-Y2533 WeakPolarHBondContact OG1-CD2 3.2Å; T2016-Y2533 WeakPolarHBondContact OG1-CE2 3.43Å; K2529-Y2533 VanDerWaalsContact CE-CZ 3.41Å; K2529-Y2533 WeakPolarHBondContact CE-OH 3.27Å; K2529-Y2533 HydrophobicContact CG-CD2 4.47Å; K2529-Y2533 HydrophobicContact CG-CE1 4.22Å; K2529-Y2533 HydrophobicContact CG-CE2 4.04Å; K2529-Y2533 PolarHBondContact NZ-OH 2.89Å; K2529-Y2533 VanDerWaalsContact O-CG 3.32Å; K2529-Y2533 PolarHBondContact O-N 3.32Å; A2530-Y2533 WeakPolarHBondContact O-CB 3.32Å; A2530-Y2533 PolarHBondContact O-N 2.92Å; Q2531-Y2533 VanDerWaalsContact C-N 3.32Å; Q2531-Y2533 PolarHBondContact O-N 3.14Å; Y2533-I2535 VanDerWaalsContact C-N 3.34Å; Y2533-I2535 PolarHBondContact O-N 3.18Å; Y2533-R2536 PolarHBondContact O-N 3.15Å; Y2533-A2537 PolarHBondContact O-N 3.2Å |
| 2534 | L | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 178.3 | -172.8 | 63.8 | 0 | 0 | 0 | 112.1 | Y2010 Y2013 A2530 Q2531 A2537 F2538 V2699 L2703 | Y2010-L2534 HydrophobicContact CD2-CD1 3.94Å; Y2010-L2534 HydrophobicContact CE2-CD1 4Å; Y2013-L2534 HydrophobicContact CD1-CD1 3.85Å; Y2013-L2534 HydrophobicContact CD2-CB 3.97Å; Y2013-L2534 HydrophobicContact CE1-CD1 3.95Å; Y2013-L2534 HydrophobicContact CE1-CD2 4.46Å; Y2013-L2534 HydrophobicContact CE2-CB 4.34Å; Y2013-L2534 HydrophobicContact CE2-CD2 4.22Å; Y2013-L2534 HydrophobicContact CG-CB 4.09Å; Y2013-L2534 HydrophobicContact CG-CD1 4.21Å; A2530-L2534 PolarHBondContact O-N 3.11Å; Q2531-L2534 PolarHBondContact O-N 3.13Å; L2534-A2537 PolarHBondContact O-N 3.26Å; L2534-F2538 PolarHBondContact O-N 2.85Å; L2534-F2538 VanDerWaalsContact O-N 3.09Å; L2534-V2699 HydrophobicContact CD1-CG1 3.96Å; L2534-L2703 HydrophobicContact CB-CD2 4.25Å; L2534-L2703 HydrophobicContact CD2-CD2 3.71Å; L2534-L2703 HydrophobicContact CD2-CG 3.97Å; L2534-L2703 HydrophobicContact CG-CD1 4.48Å; L2534-L2703 HydrophobicContact CG-CD2 3.73Å; L2534-L2703 HydrophobicContact CG-CG 3.89Å |
| 2535 | I | 94.5 | Very high | 92.5 | Very high | 52.6667 Ų | 52.6667 | 37.8 Ų | 37.8 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 173.8 | -68.7 | 167.8 | 0 | 0 | 0 | 111.2 | Q2531 A2532 Y2533 F2538 F2539 L2703 L2888 | Q2531-I2535 HydrophobicContact CG-CD1 4.09Å; Q2531-I2535 VanDerWaalsContact O-CG1 3.31Å; Q2531-I2535 WeakPolarHBondContact O-CG1 3.4Å; Q2531-I2535 PolarHBondContact O-N 3.14Å; A2532-I2535 PolarHBondContact O-N 2.93Å; Y2533-I2535 VanDerWaalsContact C-N 3.34Å; Y2533-I2535 PolarHBondContact O-N 3.18Å; I2535-F2538 PolarHBondContact O-N 2.91Å; I2535-F2539 WeakPolarHBondContact O-CB 3.47Å; I2535-F2539 PolarHBondContact O-N 3.2Å; I2535-L2703 HydrophobicContact CG1-CD2 3.7Å; I2535-L2888 HydrophobicContact CD1-CD1 4.4Å |
| 2536 | R | 94.3 | Very high | 92.4 | Very high | 76.3333 Ų | 76.3333 | 42.1 Ų | 42.1 | 29% | 0.288 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.4 | -74 | -170.5 | -175.9 | 99.8 | -4.2 | 112.3 | E1987 W2009 A2532 Y2533 F2538 F2539 C2540 | E1987-R2536 IonicContact OE2-NE 2.81Å; W2009-R2536 HydrophobicContact CB-CB 4.46Å; W2009-R2536 HydrophobicContact CD2-CB 3.91Å; W2009-R2536 VanDerWaalsContact CE2-CD 3.44Å; W2009-R2536 HydrophobicContact CE3-CB 4.49Å; W2009-R2536 HydrophobicContact CG-CB 3.82Å; W2009-R2536 VanDerWaalsContact CH2-NH1 3.32Å; A2532-R2536 WeakPolarHBondContact O-CG 3.39Å; A2532-R2536 PolarHBondContact O-N 3.32Å; A2532-R2536 VanDerWaalsContact O-N 3.16Å; Y2533-R2536 PolarHBondContact O-N 3.15Å; R2536-F2538 VanDerWaalsContact C-N 3.33Å; R2536-F2538 PolarHBondContact O-N 3.16Å; R2536-F2539 PolarHBondContact O-N 3.21Å; R2536-F2539 VanDerWaalsContact O-N 3.16Å; R2536-C2540 PolarHBondContact O-N 3.26Å; R2536-C2540 PolarHBondContact O-SG 3.22Å; R2536-C2540 VanDerWaalsContact O-SG 3.33Å |
| 2537 | A | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.6 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2006 W2009 Y2533 L2534 A2541 V2699 | A2006-A2537 VanDerWaalsContact CB-O 3.29Å; A2006-A2537 WeakPolarHBondContact CB-O 3.41Å; A2006-A2537 WeakPolarHBondContact O-CB 3.38Å; W2009-A2537 HydrophobicContact CB-CB 3.81Å; Y2533-A2537 PolarHBondContact O-N 3.2Å; L2534-A2537 PolarHBondContact O-N 3.26Å; A2537-A2541 WeakPolarHBondContact O-CB 3.3Å; A2537-A2541 PolarHBondContact O-N 3.33Å; A2537-A2541 VanDerWaalsContact O-N 3.16Å; A2537-V2699 HydrophobicContact CB-CG1 4.43Å |
| 2538 | F | 95.1 | Very high | 91.9 | Very high | 10.6667 Ų | 10.6667 | 37.8 Ų | 37.8 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.3 | 179.7 | -116 | 0 | 0 | 0 | 112.5 | L2534 I2535 R2536 C2540 A2541 K2542 T2696 V2699 A2700 L2703 A2707 E2710 | L2534-F2538 PolarHBondContact O-N 2.85Å; L2534-F2538 VanDerWaalsContact O-N 3.09Å; I2535-F2538 PolarHBondContact O-N 2.91Å; R2536-F2538 VanDerWaalsContact C-N 3.33Å; R2536-F2538 PolarHBondContact O-N 3.16Å; F2538-C2540 PolarHBondContact O-N 2.94Å; F2538-A2541 PolarHBondContact O-N 3.29Å; F2538-K2542 HydrophobicContact CE1-CD 4.3Å; F2538-K2542 VanDerWaalsContact O-CB 3.28Å; F2538-K2542 WeakPolarHBondContact O-CB 3.35Å; F2538-K2542 PolarHBondContact O-N 3.08Å; F2538-T2696 HydrophobicContact CD2-CG2 4.41Å; F2538-T2696 HydrophobicContact CE2-CG2 4.42Å; F2538-V2699 HydrophobicContact CB-CG1 4.08Å; F2538-A2700 HydrophobicContact CD2-CB 4.05Å; F2538-A2700 HydrophobicContact CE2-CB 3.68Å; F2538-A2700 HydrophobicContact CZ-CB 4.44Å; F2538-L2703 HydrophobicContact CB-CD1 3.43Å; F2538-L2703 VanDerWaalsContact CB-CD1 3.48Å; F2538-L2703 HydrophobicContact CD1-CD1 3.9Å; F2538-L2703 HydrophobicContact CD2-CD1 4.43Å; F2538-L2703 HydrophobicContact CG-CD1 3.7Å; F2538-A2707 HydrophobicContact CD1-CB 4.47Å; F2538-A2707 HydrophobicContact CE1-CB 4.09Å; F2538-A2707 HydrophobicContact CE2-CB 4.44Å; F2538-A2707 HydrophobicContact CZ-CB 4.13Å; F2538-A2707 WeakPolarHBondContact CZ-O 3.39Å; F2538-E2710 HydrophobicContact CZ-CB 4.36Å |
| 2539 | F | 92.8 | Very high | 91 | Very high | 79.6667 Ų | 79.6667 | 36 Ų | 36 | 35% | 0.349 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -44.9 | -180 | -172.4 | -90.9 | 0 | 0 | 0 | 112.5 | Y1991 I2535 R2536 A2541 K2542 C2543 | Y1991-F2539 WeakPolarHBondContact OH-CE1 3.38Å; I2535-F2539 WeakPolarHBondContact O-CB 3.47Å; I2535-F2539 PolarHBondContact O-N 3.2Å; R2536-F2539 PolarHBondContact O-N 3.21Å; R2536-F2539 VanDerWaalsContact O-N 3.16Å; F2539-A2541 VanDerWaalsContact C-N 3.34Å; F2539-A2541 PolarHBondContact O-N 3.17Å; F2539-K2542 WeakPolarHBondContact O-CB 3.44Å; F2539-K2542 PolarHBondContact O-N 2.98Å; F2539-C2543 VanDerWaalsContact CE1-SG 3.55Å; F2539-C2543 PolarHBondContact O-N 3.15Å; F2539-C2543 PolarHBondContact O-SG 3.14Å; F2539-C2543 VanDerWaalsContact O-SG 3.4Å |
| 2540 | C | 92.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 176 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | I2005 A2006 R2536 F2538 C2543 A2544 | I2005-C2540 HydrophobicContact CG2-CB 4.27Å; A2006-C2540 HydrophobicContact CB-CB 3.83Å; R2536-C2540 PolarHBondContact O-N 3.26Å; R2536-C2540 PolarHBondContact O-SG 3.22Å; R2536-C2540 VanDerWaalsContact O-SG 3.33Å; F2538-C2540 PolarHBondContact O-N 2.94Å; C2540-C2543 WeakPolarHBondContact O-CB 3.27Å; C2540-C2543 PolarHBondContact O-N 3.1Å; C2540-A2544 PolarHBondContact O-N 3.03Å |
| 2541 | A | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2003 A2006 A2537 F2538 F2539 C2543 A2544 I2545 W2695 T2696 | F2003-A2541 HydrophobicContact CD1-CB 4.24Å; F2003-A2541 HydrophobicContact CE1-CB 4.21Å; A2006-A2541 HydrophobicContact CB-CB 4.04Å; A2537-A2541 WeakPolarHBondContact O-CB 3.3Å; A2537-A2541 PolarHBondContact O-N 3.33Å; A2537-A2541 VanDerWaalsContact O-N 3.16Å; F2538-A2541 PolarHBondContact O-N 3.29Å; F2539-A2541 VanDerWaalsContact C-N 3.34Å; F2539-A2541 PolarHBondContact O-N 3.17Å; A2541-C2543 VanDerWaalsContact C-N 3.32Å; A2541-C2543 PolarHBondContact O-N 3.24Å; A2541-A2544 WeakPolarHBondContact O-CB 3.39Å; A2541-A2544 PolarHBondContact O-N 3.13Å; A2541-A2544 VanDerWaalsContact O-N 3.13Å; A2541-I2545 WeakPolarHBondContact O-CG1 3.37Å; A2541-I2545 PolarHBondContact O-N 3.18Å; A2541-W2695 HydrophobicContact CB-CZ3 4.39Å; A2541-T2696 HydrophobicContact CB-CG2 3.55Å |
| 2542 | K | 91.5 | Very high | 86.3 | Confident | 55 Ų | 55 | 37.6 Ų | 37.6 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 172.2 | -179 | 172.3 | -173.6 | -178.6 | 0 | 111.6 | F2538 F2539 K2546 E2710 L2714 | F2538-K2542 HydrophobicContact CE1-CD 4.3Å; F2538-K2542 VanDerWaalsContact O-CB 3.28Å; F2538-K2542 WeakPolarHBondContact O-CB 3.35Å; F2538-K2542 PolarHBondContact O-N 3.08Å; F2539-K2542 WeakPolarHBondContact O-CB 3.44Å; F2539-K2542 PolarHBondContact O-N 2.98Å; K2542-K2546 WeakPolarHBondContact O-CB 3.24Å; K2542-K2546 PolarHBondContact O-N 3.2Å; K2542-K2546 VanDerWaalsContact O-N 3.16Å; K2542-E2710 IonicContact NZ-OE1 3.01Å; K2542-E2710 PolarHBondContact NZ-OE1 2.79Å; K2542-E2710 IonicContact NZ-OE2 2.65Å; K2542-E2710 PolarHBondContact NZ-OE2 2.8Å; K2542-L2714 HydrophobicContact CB-CD1 4.15Å; K2542-L2714 HydrophobicContact CD-CD1 3.95Å; K2542-L2714 HydrophobicContact CG-CD1 3.45Å |
| 2543 | C | 89.7 | Confident | 84.1 | Confident | 33.6667 Ų | 33.6667 | 38.8 Ų | 38.8 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 172.6 | -72.1 | 0 | 0 | 0 | 0 | 112.9 | Y2002 F2539 C2540 A2541 K2546 K2547 | Y2002-C2543 HydrophobicContact CD1-CB 3.91Å; Y2002-C2543 HydrophobicContact CE1-CB 4.04Å; Y2002-C2543 HydrophobicContact CG-CB 4.47Å; F2539-C2543 VanDerWaalsContact CE1-SG 3.55Å; F2539-C2543 PolarHBondContact O-N 3.15Å; F2539-C2543 PolarHBondContact O-SG 3.14Å; F2539-C2543 VanDerWaalsContact O-SG 3.4Å; C2540-C2543 WeakPolarHBondContact O-CB 3.27Å; C2540-C2543 PolarHBondContact O-N 3.1Å; A2541-C2543 VanDerWaalsContact C-N 3.32Å; A2541-C2543 PolarHBondContact O-N 3.24Å; C2543-K2546 PolarHBondContact O-N 3.35Å; C2543-K2547 WeakPolarHBondContact O-CD 3.47Å; C2543-K2547 WeakPolarHBondContact O-CG 3.29Å; C2543-K2547 PolarHBondContact O-N 3.19Å; C2543-K2547 VanDerWaalsContact O-N 3.13Å |
| 2544 | A | 90.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1999 F2003 C2540 A2541 K2546 K2547 I2548 | P1999-A2544 HydrophobicContact CB-CB 4.41Å; P1999-A2544 WeakPolarHBondContact O-CB 3.39Å; F2003-A2544 HydrophobicContact CD1-CB 3.75Å; F2003-A2544 HydrophobicContact CD2-CB 3.85Å; F2003-A2544 HydrophobicContact CE1-CB 3.61Å; F2003-A2544 HydrophobicContact CE2-CB 3.73Å; F2003-A2544 HydrophobicContact CG-CB 3.86Å; F2003-A2544 HydrophobicContact CZ-CB 3.6Å; C2540-A2544 PolarHBondContact O-N 3.03Å; A2541-A2544 WeakPolarHBondContact O-CB 3.39Å; A2541-A2544 PolarHBondContact O-N 3.13Å; A2541-A2544 VanDerWaalsContact O-N 3.13Å; A2544-K2546 PolarHBondContact O-N 3.14Å; A2544-K2547 PolarHBondContact O-N 3.33Å; A2544-K2547 VanDerWaalsContact O-N 3.17Å; A2544-I2548 WeakPolarHBondContact O-CG1 3.36Å; A2544-I2548 PolarHBondContact O-N 3.05Å |
| 2545 | I | 90.5 | Very high | 78.8 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 179.9 | -65.6 | 173.5 | 0 | 0 | 0 | 111 | F2003 A2541 K2547 I2548 S2549 I2693 T2696 Y2711 L2714 C2718 | F2003-I2545 HydrophobicContact CE1-CG1 4.16Å; F2003-I2545 HydrophobicContact CZ-CG1 3.9Å; A2541-I2545 WeakPolarHBondContact O-CG1 3.37Å; A2541-I2545 PolarHBondContact O-N 3.18Å; I2545-K2547 VanDerWaalsContact C-N 3.32Å; I2545-K2547 PolarHBondContact O-N 3.08Å; I2545-I2548 WeakPolarHBondContact O-CB 3.43Å; I2545-I2548 PolarHBondContact O-N 3.31Å; I2545-I2548 VanDerWaalsContact O-N 3.14Å; I2545-S2549 PolarHBondContact O-N 3.07Å; I2545-S2549 VanDerWaalsContact O-N 3.11Å; I2545-I2693 HydrophobicContact CD1-CG1 4.36Å; I2545-I2693 HydrophobicContact CG1-CG1 4.17Å; I2545-T2696 HydrophobicContact CD1-CG2 3.83Å; I2545-Y2711 HydrophobicContact CD1-CD2 4.34Å; I2545-Y2711 HydrophobicContact CD1-CE2 4.04Å; I2545-L2714 HydrophobicContact CG2-CB 4.34Å; I2545-C2718 HydrophobicContact CG2-CB 3.92Å; I2545-C2718 VanDerWaalsContact CG2-SG 3.52Å |
| 2546 | K | 88.2 | Confident | 75.8 | Confident | 144.333 Ų | 144.333 | 49.1 Ų | 49.1 | 63% | 0.628 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 176.8 | -171.5 | 174 | -178.9 | 177.7 | 0 | 112.3 | K2542 C2543 A2544 S2549 A2550 | K2542-K2546 WeakPolarHBondContact O-CB 3.24Å; K2542-K2546 PolarHBondContact O-N 3.2Å; K2542-K2546 VanDerWaalsContact O-N 3.16Å; C2543-K2546 PolarHBondContact O-N 3.35Å; A2544-K2546 PolarHBondContact O-N 3.14Å; K2546-S2549 WeakPolarHBondContact O-CB 3.28Å; K2546-S2549 PolarHBondContact O-N 3.34Å; K2546-A2550 PolarHBondContact O-N 2.88Å |
| 2547 | K | 84.8 | Confident | 73 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 17% | 0.17 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | 176.5 | -73.1 | 167.5 | 169.4 | -77.1 | 0 | 112.8 | D1996 I1997 P1999 Y2002 C2543 A2544 I2545 S2549 A2550 S2551 | D1996-K2547 IonicContact OD1-NZ 3.44Å; D1996-K2547 PolarHBondContact OD1-NZ 3.26Å; D1996-K2547 IonicContact OD2-NZ 3.81Å; D1996-K2547 PolarHBondContact OD2-NZ 3.09Å; I1997-K2547 PolarHBondContact O-NZ 3.16Å; P1999-K2547 HydrophobicContact CG-CB 3.88Å; Y2002-K2547 HydrophobicContact CD2-CD 3.92Å; Y2002-K2547 HydrophobicContact CE2-CD 3.69Å; Y2002-K2547 VanDerWaalsContact CE2-CE 3.43Å; C2543-K2547 WeakPolarHBondContact O-CD 3.47Å; C2543-K2547 WeakPolarHBondContact O-CG 3.29Å; C2543-K2547 PolarHBondContact O-N 3.19Å; C2543-K2547 VanDerWaalsContact O-N 3.13Å; A2544-K2547 PolarHBondContact O-N 3.33Å; A2544-K2547 VanDerWaalsContact O-N 3.17Å; I2545-K2547 VanDerWaalsContact C-N 3.32Å; I2545-K2547 PolarHBondContact O-N 3.08Å; K2547-S2549 VanDerWaalsContact C-N 3.34Å; K2547-S2549 PolarHBondContact O-N 2.96Å; K2547-A2550 PolarHBondContact O-N 3.29Å; K2547-S2551 PolarHBondContact O-N 2.78Å |
| 2548 | I | 83.6 | Confident | 69.9 | Low | 20.6667 Ų | 20.6667 | 56.2 Ų | 56.2 | 11% | 0.106 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 173.5 | -72.3 | 158.9 | 0 | 0 | 0 | 111.2 | P1999 F2003 A2544 I2545 A2550 S2551 Q2552 | P1999-I2548 HydrophobicContact CB-CD1 4Å; P1999-I2548 HydrophobicContact CB-CG1 3.76Å; P1999-I2548 HydrophobicContact CG-CG1 3.94Å; F2003-I2548 HydrophobicContact CE2-CD1 3.64Å; F2003-I2548 HydrophobicContact CZ-CD1 4.06Å; A2544-I2548 WeakPolarHBondContact O-CG1 3.36Å; A2544-I2548 PolarHBondContact O-N 3.05Å; I2545-I2548 WeakPolarHBondContact O-CB 3.43Å; I2545-I2548 PolarHBondContact O-N 3.31Å; I2545-I2548 VanDerWaalsContact O-N 3.14Å; I2548-A2550 PolarHBondContact O-N 2.88Å; I2548-S2551 WeakPolarHBondContact O-CB 3.37Å; I2548-S2551 PolarHBondContact O-N 3.03Å; I2548-S2551 VanDerWaalsContact O-N 3.12Å; I2548-S2551 PolarHBondContact O-OG 3.18Å; I2548-Q2552 PolarHBondContact O-N 2.81Å; I2548-Q2552 VanDerWaalsContact O-N 3.14Å; I2548-Q2552 PolarHBondContact O-NE2 3.5Å |
| 2549 | S | 73.5 | Confident | 66.8 | Low | 32.3333 Ų | 32.3333 | 63 Ų | 63 | 23% | 0.226 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 174.5 | -174.1 | 0 | 0 | 0 | 0 | 112 | I2545 K2546 K2547 S2551 Q2552 S2553 Q2717 C2718 | I2545-S2549 PolarHBondContact O-N 3.07Å; I2545-S2549 VanDerWaalsContact O-N 3.11Å; K2546-S2549 WeakPolarHBondContact O-CB 3.28Å; K2546-S2549 PolarHBondContact O-N 3.34Å; K2547-S2549 VanDerWaalsContact C-N 3.34Å; K2547-S2549 PolarHBondContact O-N 2.96Å; S2549-S2551 VanDerWaalsContact C-N 3.27Å; S2549-S2551 PolarHBondContact O-N 3.14Å; S2549-Q2552 PolarHBondContact O-N 3.07Å; S2549-S2553 PolarHBondContact O-N 3.13Å; S2549-S2553 VanDerWaalsContact O-N 3.13Å; S2549-Q2717 PolarHBondContact OG-O 3.25Å; S2549-C2718 VanDerWaalsContact CB-SG 3.51Å |
| 2550 | A | 67.7 | Low | 63.9 | Low | 56.3333 Ų | 56.3333 | 64.9 Ų | 64.9 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -27.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K2546 K2547 I2548 S2553 | K2546-A2550 PolarHBondContact O-N 2.88Å; K2547-A2550 PolarHBondContact O-N 3.29Å; I2548-A2550 PolarHBondContact O-N 2.88Å; A2550-S2553 PolarHBondContact O-OG 3.15Å; A2550-S2553 VanDerWaalsContact O-OG 3.1Å |
| 2551 | S | 58.3 | Low | 60.9 | Low | 67.3333 Ų | 67.3333 | 75.5 Ų | 75.5 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.1 | -34.4 | 172.8 | 75.8 | 0 | 0 | 0 | 0 | 113 | K2547 I2548 S2549 | K2547-S2551 PolarHBondContact O-N 2.78Å; I2548-S2551 WeakPolarHBondContact O-CB 3.37Å; I2548-S2551 PolarHBondContact O-N 3.03Å; I2548-S2551 VanDerWaalsContact O-N 3.12Å; I2548-S2551 PolarHBondContact O-OG 3.18Å; S2549-S2551 VanDerWaalsContact C-N 3.27Å; S2549-S2551 PolarHBondContact O-N 3.14Å |
| 2552 | Q | 53.6 | Low | 57.9 | Low | 63.6667 Ų | 63.6667 | 83.4 Ų | 83.4 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.3 | -35.7 | 179.4 | -72.1 | 179.4 | 49.7 | 0 | 0 | 112.5 | I2548 S2549 N2554 V2555 N2556 C2718 N2720 | I2548-Q2552 PolarHBondContact O-N 2.81Å; I2548-Q2552 VanDerWaalsContact O-N 3.14Å; I2548-Q2552 PolarHBondContact O-NE2 3.5Å; S2549-Q2552 PolarHBondContact O-N 3.07Å; Q2552-N2554 VanDerWaalsContact C-N 3.29Å; Q2552-N2554 PolarHBondContact O-N 3.13Å; Q2552-V2555 PolarHBondContact O-N 3.09Å; Q2552-V2555 VanDerWaalsContact O-N 3.11Å; Q2552-N2556 PolarHBondContact O-N 3.11Å; Q2552-C2718 PolarHBondContact NE2-O 3.44Å; Q2552-N2720 PolarHBondContact OE1-ND2 2.91Å |
| 2553 | S | 46.5 | Very low | 54.9 | Low | 61.6667 Ų | 61.6667 | 87.3 Ų | 87.3 | 43% | 0.431 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | S2549 A2550 V2555 N2556 T2557 | S2549-S2553 PolarHBondContact O-N 3.13Å; S2549-S2553 VanDerWaalsContact O-N 3.13Å; A2550-S2553 PolarHBondContact O-OG 3.15Å; A2550-S2553 VanDerWaalsContact O-OG 3.1Å; S2553-V2555 VanDerWaalsContact C-N 3.3Å; S2553-V2555 PolarHBondContact O-N 3.13Å; S2553-N2556 PolarHBondContact O-N 3.22Å; S2553-T2557 WeakPolarHBondContact O-CG2 3.33Å; S2553-T2557 PolarHBondContact O-N 2.8Å; S2553-T2557 PolarHBondContact O-OG1 3.18Å |
| 2554 | N | 37.6 | Very low | 52.1 | Low | 109.333 Ų | 109.333 | 92 Ų | 92 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.2 | -18.8 | 177.1 | -80.8 | -25.4 | 0 | 0 | 0 | 114.4 | Q2552 T2557 N2558 | Q2552-N2554 VanDerWaalsContact C-N 3.29Å; Q2552-N2554 PolarHBondContact O-N 3.13Å; N2554-T2557 PolarHBondContact O-OG1 3.12Å; N2554-N2558 PolarHBondContact O-ND2 3.12Å |
| 2555 | V | 40.4 | Very low | 49.2 | Very low | 81.6667 Ų | 81.6667 | 98.7 Ų | 98.7 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -81.2 | -42.9 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | Q2552 S2553 T2557 N2558 F2559 | Q2552-V2555 PolarHBondContact O-N 3.09Å; Q2552-V2555 VanDerWaalsContact O-N 3.11Å; S2553-V2555 VanDerWaalsContact C-N 3.3Å; S2553-V2555 PolarHBondContact O-N 3.13Å; V2555-T2557 VanDerWaalsContact C-N 3.28Å; V2555-T2557 PolarHBondContact O-N 3.01Å; V2555-N2558 PolarHBondContact O-N 3.24Å; V2555-F2559 HydrophobicContact CG1-CD2 4.17Å; V2555-F2559 HydrophobicContact CG1-CE2 3.71Å |
| 2556 | N | 32.9 | Very low | 46.2 | Very low | 92.3333 Ų | 92.3333 | 103.3 Ų | 103.3 | 49% | 0.494 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.9 | -29 | -175.5 | -71.7 | -14.9 | 0 | 0 | 0 | 113.6 | Q2552 S2553 N2558 F2559 | Q2552-N2556 PolarHBondContact O-N 3.11Å; S2553-N2556 PolarHBondContact O-N 3.22Å; N2556-N2558 VanDerWaalsContact C-N 3.26Å; N2556-N2558 PolarHBondContact O-N 3.24Å; N2556-N2558 VanDerWaalsContact O-N 3.1Å; N2556-F2559 PolarHBondContact O-N 3.11Å |
| 2557 | T | 35.1 | Very low | 43.4 | Very low | 99.3333 Ų | 99.3333 | 102.5 Ų | 102.5 | 61% | 0.609 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -19.8 | 175.7 | 48.5 | 0 | 0 | 0 | 0 | 114 | S2553 N2554 V2555 | S2553-T2557 WeakPolarHBondContact O-CG2 3.33Å; S2553-T2557 PolarHBondContact O-N 2.8Å; S2553-T2557 PolarHBondContact O-OG1 3.18Å; N2554-T2557 PolarHBondContact O-OG1 3.12Å; V2555-T2557 VanDerWaalsContact C-N 3.28Å; V2555-T2557 PolarHBondContact O-N 3.01Å |
| 2558 | N | 29.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 105.9 Ų | 105.9 | 67% | 0.668 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -9.9 | -179.1 | -73.7 | -71.6 | 0 | 0 | 0 | 113.9 | N2554 V2555 N2556 T2560 | N2554-N2558 PolarHBondContact O-ND2 3.12Å; V2555-N2558 PolarHBondContact O-N 3.24Å; N2556-N2558 VanDerWaalsContact C-N 3.26Å; N2556-N2558 PolarHBondContact O-N 3.24Å; N2556-N2558 VanDerWaalsContact O-N 3.1Å; N2558-T2560 PolarHBondContact O-N 3.32Å |
| 2559 | F | 30.2 | Very low | 38.1 | Very low | 154.667 Ų | 154.667 | 112.4 Ų | 112.4 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -6.5 | -178.6 | -96.8 | -85.1 | 0 | 0 | 0 | 114.6 | V2555 N2556 R2561 | V2555-F2559 HydrophobicContact CG1-CD2 4.17Å; V2555-F2559 HydrophobicContact CG1-CE2 3.71Å; N2556-F2559 PolarHBondContact O-N 3.11Å; F2559-R2561 PolarHBondContact O-N 2.99Å |
| 2560 | T | 32.2 | Very low | 36 | Very low | 119.333 Ų | 119.333 | 116.7 Ų | 116.7 | 73% | 0.732 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -107 | 21.2 | -175.8 | -32.8 | 0 | 0 | 0 | 0 | 114.3 | N2558 | N2558-T2560 PolarHBondContact O-N 3.32Š|
| 2561 | R | 28.9 | Very low | 34.2 | Very low | 226.667 Ų | 226.667 | 119 Ų | 119 | 86% | 0.855 | 67% | 0.67 | S | S | * | * | trans | -137.6 | 81.1 | 167.5 | -77.3 | -164.5 | 177.7 | -152.8 | 1.7 | 113 | F2559 N2563 | F2559-R2561 PolarHBondContact O-N 2.99Å; R2561-N2563 PolarHBondContact O-N 2.82Å | ||
| 2562 | Q | 30.4 | Very low | 32.9 | Very low | 166.333 Ų | 166.333 | 127.5 Ų | 127.5 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | trans | -99 | 90.1 | 161.7 | -66.2 | -174.1 | -0.2 | 0 | 0 | 114.9 | ||||
| 2563 | N | 29.5 | Very low | 31.7 | Very low | 136.333 Ų | 136.333 | 129.5 Ų | 129.5 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | trans | -42.4 | 140.9 | 149.9 | -82.2 | -7.3 | 0 | 0 | 0 | 113.6 | R2561 I2565 | R2561-N2563 PolarHBondContact O-N 2.82Å; N2563-I2565 VanDerWaalsContact C-N 3.25Å; N2563-I2565 HydrophobicContact CB-CG1 4.42Å; N2563-I2565 PolarHBondContact O-N 3.24Å; N2563-I2565 VanDerWaalsContact O-N 3.17Å | ||
| 2564 | P | 29.1 | Very low | 31.2 | Very low | 133.667 Ų | 133.667 | 134 Ų | 134 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | trans | -76.9 | 84.3 | 177.2 | 32.5 | -34.9 | 0 | 0 | 0 | 111.5 | A2566 | P2564-A2566 PolarHBondContact O-N 3.07Š| ||
| 2565 | I | 30.2 | Very low | 30.8 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -101.4 | 119.8 | 170.4 | -59.7 | -179.1 | 0 | 0 | 0 | 108.5 | N2563 V2567 | N2563-I2565 VanDerWaalsContact C-N 3.25Å; N2563-I2565 HydrophobicContact CB-CG1 4.42Å; N2563-I2565 PolarHBondContact O-N 3.24Å; N2563-I2565 VanDerWaalsContact O-N 3.17Å; I2565-V2567 HydrophobicContact CB-CG2 4.31Å; I2565-V2567 HydrophobicContact CG2-CG2 4.1Å; I2565-V2567 PolarHBondContact O-N 3.2Å; I2565-V2567 VanDerWaalsContact O-N 3.12Å | ||
| 2566 | A | 28 | Very low | 30.3 | Very low | 99.3333 Ų | 99.3333 | 139 Ų | 139 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | -67.6 | 113.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P2564 S2568 | P2564-A2566 PolarHBondContact O-N 3.07Å; A2566-S2568 VanDerWaalsContact C-N 3.3Å; A2566-S2568 PolarHBondContact O-N 3.44Å | ||
| 2567 | V | 29.3 | Very low | 30.4 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -97.1 | 105.3 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | I2565 M2569 | I2565-V2567 HydrophobicContact CB-CG2 4.31Å; I2565-V2567 HydrophobicContact CG2-CG2 4.1Å; I2565-V2567 PolarHBondContact O-N 3.2Å; I2565-V2567 VanDerWaalsContact O-N 3.12Å; V2567-M2569 PolarHBondContact O-N 3.35Å | ||
| 2568 | S | 27.6 | Very low | 30.2 | Very low | 109.667 Ų | 109.667 | 146.9 Ų | 146.9 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -72.5 | 134.5 | 178 | -90.8 | 0 | 0 | 0 | 0 | 111.5 | A2566 P2570 | A2566-S2568 VanDerWaalsContact C-N 3.3Å; A2566-S2568 PolarHBondContact O-N 3.44Å; S2568-P2570 WeakPolarHBondContact O-CD 3.44Å; S2568-P2570 VanDerWaalsContact O-N 3.16Å | ||
| 2569 | M | 28.8 | Very low | 30.5 | Very low | 157.667 Ų | 157.667 | 148.8 Ų | 148.8 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -52.2 | 131.7 | 168.7 | -69.8 | -74.4 | -176.6 | 0 | 0 | 110.6 | V2567 S2571 | V2567-M2569 PolarHBondContact O-N 3.35Å; M2569-S2571 PolarHBondContact O-N 3.24Å | ||
| 2570 | P | 30.8 | Very low | 30.6 | Very low | 123.333 Ų | 123.333 | 148.3 Ų | 148.3 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -74.5 | 70.9 | 173.8 | 31.6 | -34.8 | 0 | 0 | 0 | 110.5 | S2568 R2572 | S2568-P2570 WeakPolarHBondContact O-CD 3.44Å; S2568-P2570 VanDerWaalsContact O-N 3.16Å; P2570-R2572 VanDerWaalsContact C-N 3.26Å; P2570-R2572 PolarHBondContact O-N 3.1Å; P2570-R2572 VanDerWaalsContact O-N 3.13Å | ||
| 2571 | S | 29.9 | Very low | 30.5 | Very low | 103.667 Ų | 103.667 | 152.5 Ų | 152.5 | 73% | 0.725 | 78% | 0.784 | S | S | * | * | trans | -63 | 98.8 | 174 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | M2569 S2573 | M2569-S2571 PolarHBondContact O-N 3.24Å; S2571-S2573 VanDerWaalsContact C-N 3.29Å; S2571-S2573 PolarHBondContact O-N 3.03Å | ||
| 2572 | R | 30.1 | Very low | 30.7 | Very low | 246 Ų | 246 | 148.6 Ų | 148.6 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -69.4 | 73.5 | 174.4 | -82.6 | -169 | 169.5 | -152.9 | -0.4 | 111.6 | P2570 I2574 | P2570-R2572 VanDerWaalsContact C-N 3.26Å; P2570-R2572 PolarHBondContact O-N 3.1Å; P2570-R2572 VanDerWaalsContact O-N 3.13Å; R2572-I2574 VanDerWaalsContact C-N 3.3Å; R2572-I2574 PolarHBondContact O-N 3.2Å | ||
| 2573 | S | 28.7 | Very low | 30.8 | Very low | 105.333 Ų | 105.333 | 147.5 Ų | 147.5 | 74% | 0.737 | 77% | 0.772 | S | S | * | * | trans | -90 | 130.6 | 154.9 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | S2571 R2575 | S2571-S2573 VanDerWaalsContact C-N 3.29Å; S2571-S2573 PolarHBondContact O-N 3.03Å; S2573-R2575 PolarHBondContact O-N 3.31Å | ||
| 2574 | I | 35.4 | Very low | 31.1 | Very low | 156.667 Ų | 156.667 | 147.6 Ų | 147.6 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -58.8 | 108.4 | 178.1 | -56.4 | 167.8 | 0 | 0 | 0 | 109.2 | R2572 G2576 | R2572-I2574 VanDerWaalsContact C-N 3.3Å; R2572-I2574 PolarHBondContact O-N 3.2Å; I2574-G2576 PolarHBondContact O-N 3.02Å; I2574-G2576 VanDerWaalsContact O-N 3.08Å | ||
| 2575 | R | 29.5 | Very low | 31.3 | Very low | 230.667 Ų | 230.667 | 149.2 Ų | 149.2 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | 117.8 | 73.3 | 119.6 | -160.5 | -178.1 | -166.8 | -171.1 | 4 | 113.1 | S2573 K2577 | S2573-R2575 PolarHBondContact O-N 3.31Å; R2575-K2577 PolarHBondContact O-N 3.44Å | |||
| 2576 | G | 30 | Very low | 31.4 | Very low | 66 Ų | 66 | 146.7 Ų | 146.7 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -38.6 | 142.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I2574 H2578 | I2574-G2576 PolarHBondContact O-N 3.02Å; I2574-G2576 VanDerWaalsContact O-N 3.08Å; G2576-H2578 PolarHBondContact O-N 3.02Å | ||
| 2577 | K | 34.3 | Very low | 31.8 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -134.6 | 119.3 | 166.6 | -85.7 | 168.1 | -179.6 | 177.8 | 0 | 107.5 | R2575 H2579 | R2575-K2577 PolarHBondContact O-N 3.44Å; K2577-H2579 PolarHBondContact O-N 3.19Å; K2577-H2579 VanDerWaalsContact O-N 3.09Å; K2577-H2579 PolarHBondContact O-ND1 3.22Å | ||
| 2578 | H | 32.4 | Very low | 31.9 | Very low | 163.667 Ų | 163.667 | 154.1 Ų | 154.1 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | 94.8 | 131.1 | 79.9 | -105.6 | -85.4 | 0 | 0 | 0 | 109.3 | G2576 H2580 | G2576-H2578 PolarHBondContact O-N 3.02Å; H2578-H2580 VanDerWaalsContact C-N 3.27Å; H2578-H2580 PolarHBondContact O-N 3.33Å | |||
| 2579 | H | 35.8 | Very low | 32.2 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 136.2 | 129.1 | 163.5 | -68 | -41.6 | 0 | 0 | 0 | 110.4 | K2577 Y2581 | K2577-H2579 PolarHBondContact O-N 3.19Å; K2577-H2579 VanDerWaalsContact O-N 3.09Å; K2577-H2579 PolarHBondContact O-ND1 3.22Å; H2579-Y2581 VanDerWaalsContact C-N 3.31Å; H2579-Y2581 PolarHBondContact O-N 3.18Å | ||
| 2580 | H | 32.1 | Very low | 32.3 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 68% | 0.676 | 76% | 0.761 | S | S | * | * | cis | -135.2 | 137.6 | -27.7 | -117.5 | 11.7 | 0 | 0 | 0 | 109.3 | H2578 H2582 | H2578-H2580 VanDerWaalsContact C-N 3.27Å; H2578-H2580 PolarHBondContact O-N 3.33Å; H2580-H2582 PolarHBondContact O-N 3.29Å | ||
| 2581 | Y | 30.3 | Very low | 32.4 | Very low | 206 Ų | 206 | 151.1 Ų | 151.1 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | 37.5 | 125.6 | 163.9 | -68.3 | -75.1 | 0 | 0 | 0 | 113.6 | H2579 M2583 | H2579-Y2581 VanDerWaalsContact C-N 3.31Å; H2579-Y2581 PolarHBondContact O-N 3.18Å; Y2581-M2583 PolarHBondContact O-N 3.45Å | ||
| 2582 | H | 33.2 | Very low | 32.5 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | cis | -122.9 | 142.6 | 13.7 | -166.3 | 25.3 | 0 | 0 | 0 | 110.6 | H2580 Q2584 | H2580-H2582 PolarHBondContact O-N 3.29Å; H2582-Q2584 PolarHBondContact O-N 3.3Å | ||
| 2583 | M | 32 | Very low | 32.5 | Very low | 142.333 Ų | 142.333 | 145.8 Ų | 145.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -33.2 | 136.3 | 171.5 | -78.3 | -127.3 | 179.4 | 0 | 0 | 112.7 | Y2581 Q2585 | Y2581-M2583 PolarHBondContact O-N 3.45Å; M2583-Q2585 PolarHBondContact O-N 3.05Å; M2583-Q2585 VanDerWaalsContact O-N 3.09Å | ||
| 2584 | Q | 35.2 | Very low | 32.8 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | cis | -135.3 | 124.4 | 14.3 | -145.2 | 173.7 | 40.3 | 0 | 0 | 111.3 | H2582 S2586 | H2582-Q2584 PolarHBondContact O-N 3.3Å; Q2584-S2586 PolarHBondContact O-N 3.26Å; Q2584-S2586 PolarHBondContact O-OG 3.48Å | ||
| 2585 | Q | 32.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | 7.7 | 126 | 151.7 | -62.2 | -179 | 31.8 | 0 | 0 | 116.5 | M2583 | M2583-Q2585 PolarHBondContact O-N 3.05Å; M2583-Q2585 VanDerWaalsContact O-N 3.09Å | ||
| 2586 | S | 34 | Very low | 32.9 | Very low | 88.3333 Ų | 88.3333 | 141.5 Ų | 141.5 | 62% | 0.618 | 73% | 0.725 | S | S | * | * | cis | -161.6 | 150.6 | 43.3 | 50.4 | 0 | 0 | 0 | 0 | 112 | Q2584 | Q2584-S2586 PolarHBondContact O-N 3.26Å; Q2584-S2586 PolarHBondContact O-OG 3.48Å | ||
| 2587 | H | 35.7 | Very low | 32.8 | Very low | 159.333 Ų | 159.333 | 147.3 Ų | 147.3 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 33.3 | 145.7 | 164.7 | -56.4 | -48.3 | 0 | 0 | 0 | 118.9 | ||||
| 2588 | R | 32 | Very low | 32.6 | Very low | 224 Ų | 224 | 147.8 Ų | 147.8 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | 107.2 | 143.9 | 96.4 | -75.5 | 175.4 | 178.2 | -135.3 | -0.5 | 112.5 | |||||
| 2589 | G | 33.4 | Very low | 32.5 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | trans | 151.6 | 139.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2590 | N | 31.5 | Very low | 32.2 | Very low | 156.667 Ų | 156.667 | 145.6 Ų | 145.6 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | 44.8 | 135.9 | 165.3 | -102.9 | 25.9 | 0 | 0 | 0 | 117.3 | ||||
| 2591 | S | 32.6 | Very low | 32.1 | Very low | 96.6667 Ų | 96.6667 | 145 Ų | 145 | 68% | 0.676 | 72% | 0.717 | S | S | * | * | 155.3 | 131.9 | 113.6 | -98.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2592 | T | 31.9 | Very low | 32 | Very low | 109.667 Ų | 109.667 | 143 Ų | 143 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | 61.3 | 126.8 | 110.3 | 62.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 2593 | N | 30.7 | Very low | 31.6 | Very low | 128.333 Ų | 128.333 | 140.9 Ų | 140.9 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | 114.8 | 133 | 96.2 | -91 | -11.6 | 0 | 0 | 0 | 117.9 | |||||
| 2594 | H | 33.7 | Very low | 31.4 | Very low | 163.333 Ų | 163.333 | 140.6 Ų | 140.6 | 76% | 0.756 | 71% | 0.714 | S | S | * | * | trans | 99.4 | 139.8 | 143.6 | -74.7 | -55.8 | 0 | 0 | 0 | 114.7 | ||||
| 2595 | S | 33.6 | Very low | 31.1 | Very low | 84.6667 Ų | 84.6667 | 139.7 Ų | 139.7 | 59% | 0.592 | 72% | 0.718 | S | S | * | * | cis | 167.3 | 134.1 | 9.1 | -129.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2596 | Q | 33 | Very low | 30.8 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | 71.8 | 137 | 146.3 | -62.7 | -168.6 | 40.3 | 0 | 0 | 121.1 | ||||
| 2597 | R | 28.2 | Very low | 30.7 | Very low | 188.333 Ų | 188.333 | 140.1 Ų | 140.1 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | cis | 154.7 | 115.5 | 9.3 | 179.9 | -174.4 | -160.1 | -152.2 | 6.4 | 113.8 | ||||
| 2598 | R | 31.3 | Very low | 30.3 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | 152.7 | 144.2 | 140.7 | -89.6 | 165.3 | -74.9 | -159.6 | 2.8 | 110.5 | ||||
| 2599 | H | 30.2 | Very low | 30 | Very low | 152.667 Ų | 152.667 | 134.2 Ų | 134.2 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | cis | 102.7 | 153.7 | 30.8 | -115.3 | -51.1 | 0 | 0 | 0 | 110.5 | ||||
| 2600 | L | 28.6 | Very low | 29.7 | Very low | 127.667 Ų | 127.667 | 137.8 Ų | 137.8 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | 171.9 | 142.6 | 6.7 | -142.8 | 45.7 | 0 | 0 | 0 | 109.5 | ||||
| 2601 | I | 29.6 | Very low | 29.5 | Very low | 134.5 Ų | 134.5 | 138.3 Ų | 138.3 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | 61.5 | 106 | 98.8 | -55.8 | 165.3 | 0 | 0 | 0 | 115 | |||||
| 2602 | Q | 28 | Very low | 29.2 | Very low | 164.5 Ų | 164.5 | 138.2 Ų | 138.2 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | 145.2 | 132.9 | 69.8 | -129.8 | 176.3 | -50.6 | 0 | 0 | 112.1 | |||||
| 2603 | T | 26.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | 61.3 | 130 | 128.8 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2604 | D | 26.4 | Very low | 29.1 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | 143.7 | 139.9 | 39.4 | -82 | -54.9 | 0 | 0 | 0 | 115.2 | ||||
| 2605 | T | 29.3 | Very low | 29 | Very low | 120.5 Ų | 120.5 | 135.4 Ų | 135.4 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | 117.2 | 117.2 | 146 | 39.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2606 | N | 26.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | 60.5 | 101.2 | 97.9 | -70.4 | -12.8 | 0 | 0 | 0 | 120.3 | |||||
| 2607 | S | 32.2 | Very low | 28.7 | Very low | 113.5 Ų | 113.5 | 140.1 Ų | 140.1 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -165.5 | 124.3 | 134.8 | 40.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2608 | N | 27.1 | Very low | 28.7 | Very low | 139.5 Ų | 139.5 | 136.3 Ų | 136.3 | 75% | 0.746 | 74% | 0.735 | S | S | * | * | cis | 65.4 | 106.3 | 47.7 | -73.5 | -17.2 | 0 | 0 | 0 | 114.2 | ||||
| 2609 | C | 26.9 | Very low | 28.5 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | -154.4 | 132.6 | 77.8 | -114.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 2610 | M | 25.5 | Very low | 28.4 | Very low | 149.5 Ų | 149.5 | 131.6 Ų | 131.6 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | 25.7 | 115.5 | 101.2 | -74.2 | -74.1 | 154.8 | 0 | 0 | 116.2 | |||||
| 2611 | L | 28.6 | Very low | 28.5 | Very low | 167.5 Ų | 167.5 | 131.1 Ų | 131.1 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | -155.6 | 114.9 | 127 | -118.2 | 154.4 | 0 | 0 | 0 | 111 | T2613 | L2611-T2613 HydrophobicContact CD2-CG2 3.9Š| |||
| 2612 | S | 25.3 | Very low | 28.5 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | trans | -132.6 | 132.7 | 173.7 | 2.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 2613 | T | 31.1 | Very low | 28.6 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -149.8 | 123.3 | 169.4 | 37.4 | 0 | 0 | 0 | 0 | 106.7 | L2611 | L2611-T2613 HydrophobicContact CD2-CG2 3.9Š| ||
| 2614 | S | 30.3 | Very low | 28.7 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | cis | 126.6 | 156.4 | 22.8 | -115.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2615 | T | 31.9 | Very low | 28.9 | Very low | 116.5 Ų | 116.5 | 132.7 Ų | 132.7 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | 135 | 159.9 | 85.4 | 32.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2616 | R | 30 | Very low | 28.7 | Very low | 210 Ų | 210 | 134.3 Ų | 134.3 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | cis | -165.1 | 151.7 | 1.1 | -132.1 | 176.7 | -173.6 | 152 | 1.4 | 109.6 | ||||
| 2617 | N | 29 | Very low | 28.6 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 44.5 | 144.3 | 140.9 | -60 | 18.1 | 0 | 0 | 0 | 119.6 | ||||
| 2618 | T | 28.4 | Very low | 28.4 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | cis | -171.5 | 160.3 | -0.7 | 6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2619 | I | 28.1 | Very low | 28.4 | Very low | 143.5 Ų | 143.5 | 133.9 Ų | 133.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 70.3 | 114.3 | 144.7 | -66.9 | 162.8 | 0 | 0 | 0 | 118.3 | ||||
| 2620 | T | 27.4 | Very low | 28.5 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 105.7 | 150.9 | 58.9 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2621 | T | 30.7 | Very low | 28.6 | Very low | 117.5 Ų | 117.5 | 133.9 Ų | 133.9 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | 134.8 | 128.7 | 104.1 | 39.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 2622 | N | 29.4 | Very low | 28.5 | Very low | 131.5 Ų | 131.5 | 133.4 Ų | 133.4 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | trans | 63.8 | 123.3 | 138.8 | -71.8 | 47.5 | 0 | 0 | 0 | 122.4 | ||||
| 2623 | D | 29.4 | Very low | 28.7 | Very low | 125.5 Ų | 125.5 | 133.8 Ų | 133.8 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | 69.4 | 98.1 | 135.4 | -53.8 | -25.9 | 0 | 0 | 0 | 120.6 | ||||
| 2624 | Q | 30.4 | Very low | 28.6 | Very low | 161.5 Ų | 161.5 | 133.8 Ų | 133.8 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | 132 | 125.8 | 75.2 | -85.4 | 174.1 | 41.8 | 0 | 0 | 117.4 | |||||
| 2625 | N | 28.5 | Very low | 28.4 | Very low | 148.5 Ų | 148.5 | 134.4 Ų | 134.4 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 55.3 | 95.2 | 136.7 | -59.8 | -16.6 | 0 | 0 | 0 | 120.3 | ||||
| 2626 | N | 25.2 | Very low | 28.1 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -116.9 | 164.2 | 149.2 | -97.7 | -44.3 | 0 | 0 | 0 | 113.4 | ||||
| 2627 | C | 25.5 | Very low | 28 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 72% | 0.716 | 77% | 0.767 | S | S | * | * | trans | 90.8 | 117.1 | 148.8 | -65.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2628 | L | 27 | Very low | 27.9 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | 86.6 | 148.7 | 140.8 | -67.3 | 163.4 | 0 | 0 | 0 | 120.2 | ||||
| 2629 | P | 28.3 | Very low | 28 | Very low | 118.5 Ų | 118.5 | 139.5 Ų | 139.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -102.8 | 163.1 | -158.4 | 39.7 | -36.2 | 0 | 0 | 0 | 114.9 | ||||
| 2630 | S | 28.3 | Very low | 28 | Very low | 116.5 Ų | 116.5 | 138 Ų | 138 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -121.4 | 138.5 | 169.1 | 56 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2631 | E | 27.2 | Very low | 28 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | 7.1 | 144.9 | 115.8 | -71.2 | -122.5 | 107.6 | 0 | 0 | 113.3 | |||||
| 2632 | N | 27.6 | Very low | 27.9 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | 116.5 | 86.4 | 172.7 | -74.6 | -44.3 | 0 | 0 | 0 | 111.5 | ||||
| 2633 | S | 29.4 | Very low | 27.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | 133.7 | 103.4 | 122.6 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2634 | S | 27.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | -115.5 | 140 | 80.3 | -65.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2635 | S | 27.2 | Very low | 27.4 | Very low | 112.5 Ų | 112.5 | 131.9 Ų | 131.9 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | -146.6 | 154.4 | 99.5 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2636 | M | 26.3 | Very low | 27.2 | Very low | 152.5 Ų | 152.5 | 130.6 Ų | 130.6 | 75% | 0.751 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 147.8 | -173.4 | -61.1 | 171.3 | -78.6 | 0 | 0 | 113.2 | L2638 | M2636-L2638 HydrophobicContact SD-CD1 4.35Š| ||
| 2637 | F | 28.1 | Very low | 27.2 | Very low | 216.5 Ų | 216.5 | 134.3 Ų | 134.3 | 95% | 0.95 | 79% | 0.787 | S | S | * | * | -123 | 144.7 | 127.1 | -96.3 | -82.2 | 0 | 0 | 0 | 108.9 | |||||
| 2638 | L | 26.5 | Very low | 27.2 | Very low | 140.5 Ų | 140.5 | 133.5 Ų | 133.5 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -105.3 | 145.4 | -171 | -78.6 | 132.8 | 0 | 0 | 0 | 112 | M2636 | M2636-L2638 HydrophobicContact SD-CD1 4.35Š| ||
| 2639 | M | 30.5 | Very low | 27.3 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -1.7 | 164.9 | 158.8 | -65.6 | -109.9 | 90.4 | 0 | 0 | 114.6 | ||||
| 2640 | P | 26.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -114.2 | 154.4 | 47.6 | 36.5 | -31.1 | 0 | 0 | 0 | 112.8 | ||||
| 2641 | G | 27.3 | Very low | 27.1 | Very low | 61.5 Ų | 61.5 | 135.9 Ų | 135.9 | 63% | 0.634 | 79% | 0.789 | S | S | * | * | trans | -83.7 | 140.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2642 | V | 29.5 | Very low | 27.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -124 | 128.7 | 165.1 | -87.2 | 0 | 0 | 0 | 0 | 109.4 | H2456 | H2456-V2642 HydrophobicContact CB-CG1 4Å; H2456-V2642 VanDerWaalsContact CG-CG1 3.45Å; H2456-V2642 WeakPolarHBondContact ND1-CG1 3.48Å | ||
| 2643 | S | 24.8 | Very low | 27 | Very low | 114.5 Ų | 114.5 | 137.6 Ų | 137.6 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -109.8 | 134.1 | -178 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2644 | S | 28.1 | Very low | 26.9 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 155.9 | 148.7 | 162.6 | 79.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2645 | S | 25.7 | Very low | 26.7 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -142.8 | 143.5 | -91 | -154.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 2646 | C | 24.6 | Very low | 26.7 | Very low | 120.5 Ų | 120.5 | 138.7 Ų | 138.7 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 154.6 | 125.1 | 166.9 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2647 | R | 25.3 | Very low | 26.6 | Very low | 232.5 Ų | 232.5 | 135.4 Ų | 135.4 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | -130.2 | 118.5 | -86.7 | -163.7 | 179.5 | 179.7 | 176.8 | -0.4 | 111.8 | |||||
| 2648 | A | 25.7 | Very low | 26.6 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | 133.6 | 119 | 159 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2649 | S | 28.1 | Very low | 27.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | 128.4 | 103.4 | 66.3 | -77.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2650 | N | 29 | Very low | 27.4 | Very low | 164.5 Ų | 164.5 | 127.1 Ų | 127.1 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | trans | -49.7 | 133.1 | 147.3 | -80.1 | -21.9 | 0 | 0 | 0 | 115.1 | ||||
| 2651 | Q | 25 | Very low | 27.5 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -82.7 | 123.7 | 175.5 | -59.3 | 180 | 17.8 | 0 | 0 | 111 | ||||
| 2652 | V | 28.2 | Very low | 27.8 | Very low | 135.5 Ų | 135.5 | 125.1 Ų | 125.1 | 82% | 0.821 | 73% | 0.726 | S | S | * | * | trans | -133.3 | 128.9 | 146.7 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | I2654 | V2652-I2654 HydrophobicContact CG1-CG1 4.07Å; V2652-I2654 PolarHBondContact O-N 3.19Å | ||
| 2653 | R | 23.5 | Very low | 28 | Very low | 210.5 Ų | 210.5 | 122.8 Ų | 122.8 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -107.7 | 106.5 | -168 | -176 | -164.1 | -54.9 | -171 | 3.9 | 110 | ||||
| 2654 | I | 27.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | -121.9 | 131.2 | 166.1 | -73.4 | 155.8 | 0 | 0 | 0 | 108.4 | V2652 S2656 | V2652-I2654 HydrophobicContact CG1-CG1 4.07Å; V2652-I2654 PolarHBondContact O-N 3.19Å; I2654-S2656 PolarHBondContact O-N 3.43Å | ||
| 2655 | S | 23.6 | Very low | 28.5 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | trans | -94.9 | 115.1 | -164.7 | -54 | 0 | 0 | 0 | 0 | 113.5 | A2657 | S2655-A2657 PolarHBondContact O-N 3.37Š| ||
| 2656 | S | 26.1 | Very low | 28.8 | Very low | 111.5 Ų | 111.5 | 124.1 Ų | 124.1 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | trans | -118.8 | 42.9 | 167.2 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | K2018 I2654 | K2018-S2656 PolarHBondContact NZ-OG 2.75Å; I2654-S2656 PolarHBondContact O-N 3.43Å | ||
| 2657 | A | 25.9 | Very low | 29 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | trans | -152.5 | 96.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S2655 | S2655-A2657 PolarHBondContact O-N 3.37Š| ||
| 2658 | N | 28.2 | Very low | 29 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -164.2 | 26.2 | 176.2 | -120.8 | 14.5 | 0 | 0 | 0 | 114.8 | S2661 | N2658-S2661 WeakPolarHBondContact CA-OG 3.34Š| ||
| 2659 | V | 35.9 | Very low | 29 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 56% | 0.558 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -132.2 | -29.9 | -178.6 | -172 | 0 | 0 | 0 | 0 | 112.9 | S2661 D2662 | V2659-S2661 PolarHBondContact N-OG 3.31Å; V2659-S2661 PolarHBondContact O-N 2.99Å; V2659-D2662 PolarHBondContact O-N 3.04Å; V2659-D2662 VanDerWaalsContact O-N 3.13Å |
| 2660 | I | 36.1 | Very low | 29.2 | Very low | 111.5 Ų | 111.5 | 121 Ų | 121 | 57% | 0.572 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -86.8 | -23.7 | 179.2 | -62.3 | 176.6 | 0 | 0 | 0 | 111.8 | E1969 D2662 | E1969-I2660 VanDerWaalsContact OE1-CD1 3.32Å; E1969-I2660 WeakPolarHBondContact OE1-CD1 3.21Å; I2660-D2662 VanDerWaalsContact C-N 3.26Å; I2660-D2662 PolarHBondContact O-N 3.02Å |
| 2661 | S | 30.2 | Very low | 29.2 | Very low | 44 Ų | 44 | 119.3 Ų | 119.3 | 31% | 0.308 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.6 | -42.4 | 173.9 | 40.5 | 0 | 0 | 0 | 0 | 113 | N2658 V2659 F2663 N2664 L2665 | N2658-S2661 WeakPolarHBondContact CA-OG 3.34Å; V2659-S2661 PolarHBondContact N-OG 3.31Å; V2659-S2661 PolarHBondContact O-N 2.99Å; S2661-F2663 PolarHBondContact O-N 3.35Å; S2661-F2663 VanDerWaalsContact O-N 3.13Å; S2661-N2664 CarbonylContact O-C 3.6Å; S2661-N2664 PolarHBondContact O-N 2.81Å; S2661-L2665 WeakPolarHBondContact O-CB 3.31Å; S2661-L2665 PolarHBondContact O-N 3.02Å; S2661-L2665 VanDerWaalsContact O-N 3.14Å |
| 2662 | D | 32 | Very low | 29.5 | Very low | 86.5 Ų | 86.5 | 115.8 Ų | 115.8 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -69.5 | -22 | -164.2 | -60.3 | 9 | 0 | 0 | 0 | 112.9 | V2659 I2660 I2666 | V2659-D2662 PolarHBondContact O-N 3.04Å; V2659-D2662 VanDerWaalsContact O-N 3.13Å; I2660-D2662 VanDerWaalsContact C-N 3.26Å; I2660-D2662 PolarHBondContact O-N 3.02Å; D2662-I2666 WeakPolarHBondContact O-CD1 3.46Å; D2662-I2666 VanDerWaalsContact O-CG1 3.24Å; D2662-I2666 WeakPolarHBondContact O-CG1 3.47Å |
| 2663 | F | 35.2 | Very low | 29.7 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 33% | 0.329 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79.1 | -22.8 | 176.6 | -116.1 | -97.8 | 0 | 0 | 0 | 113.4 | E2000 F2004 S2661 H2692 | E2000-F2663 HydrophobicContact CG-CE1 3.97Å; E2000-F2663 HydrophobicContact CG-CZ 4.5Å; F2004-F2663 HydrophobicContact CD2-CE2 4.41Å; S2661-F2663 PolarHBondContact O-N 3.35Å; S2661-F2663 VanDerWaalsContact O-N 3.13Å; F2663-H2692 AromaticContact CE1-CE1 3.76Å; F2663-H2692 AromaticContact CE1-NE2 3.96Å; F2663-H2692 AromaticContact CE2-NE2 3.98Å; F2663-H2692 AromaticContact CZ-CE1 3.74Å |
| 2664 | N | 31.7 | Very low | 30 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -107.2 | -25.4 | -178.9 | -72.4 | -54.3 | 0 | 0 | 0 | 113.4 | S2661 I2666 | S2661-N2664 CarbonylContact O-C 3.6Å; S2661-N2664 PolarHBondContact O-N 2.81Å; N2664-I2666 PolarHBondContact O-N 3.03Å |
| 2665 | L | 31 | Very low | 30.3 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.1 | -1.1 | -172.8 | -155.7 | 68.7 | 0 | 0 | 0 | 114.1 | S2661 N2667 | S2661-L2665 WeakPolarHBondContact O-CB 3.31Å; S2661-L2665 PolarHBondContact O-N 3.02Å; S2661-L2665 VanDerWaalsContact O-N 3.14Å; L2665-N2667 VanDerWaalsContact C-N 3.29Å; L2665-N2667 PolarHBondContact O-N 3.34Å |
| 2666 | I | 32.6 | Very low | 30.6 | Very low | 122.5 Ų | 122.5 | 111.9 Ų | 111.9 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -10.1 | 176 | -66.7 | 175.2 | 0 | 0 | 0 | 112.3 | D2662 N2664 A2668 A2691 | D2662-I2666 WeakPolarHBondContact O-CD1 3.46Å; D2662-I2666 VanDerWaalsContact O-CG1 3.24Å; D2662-I2666 WeakPolarHBondContact O-CG1 3.47Å; N2664-I2666 PolarHBondContact O-N 3.03Å; I2666-A2668 PolarHBondContact O-N 3.05Å; I2666-A2691 HydrophobicContact CD1-CB 4.24Å |
| 2667 | N | 28.9 | Very low | 30.8 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 1.8 | -176.3 | -78.4 | -41.3 | 0 | 0 | 0 | 115.5 | L2665 | L2665-N2667 VanDerWaalsContact C-N 3.29Å; L2665-N2667 PolarHBondContact O-N 3.34Å |
| 2668 | A | 24 | Very low | 30.8 | Very low | 67.5 Ų | 67.5 | 115.9 Ų | 115.9 | 56% | 0.558 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -146.9 | 93.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I2666 | I2666-A2668 PolarHBondContact O-N 3.05Š|
| 2669 | T | 26.5 | Very low | 30.9 | Very low | 130.5 Ų | 130.5 | 115.1 Ų | 115.1 | 80% | 0.801 | 68% | 0.683 | S | S | * | * | trans | 131.2 | 89.8 | 164.3 | 4.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2670 | T | 32.2 | Very low | 30.6 | Very low | 149.5 Ų | 149.5 | 114.1 Ų | 114.1 | 92% | 0.917 | 68% | 0.68 | S | S | * | * | trans | -152.1 | 120.7 | 145.5 | -23.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2671 | T | 29.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | -98.6 | 159.8 | -174.3 | 3.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2672 | S | 30.6 | Very low | 30.5 | Very low | 104.5 Ų | 104.5 | 119.2 Ų | 119.2 | 73% | 0.731 | 72% | 0.715 | S | S | * | * | trans | 84.4 | 131.5 | 165 | 74.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2673 | T | 31.9 | Very low | 30.6 | Very low | 136.5 Ų | 136.5 | 119.5 Ų | 119.5 | 84% | 0.837 | 72% | 0.717 | S | S | * | * | trans | 58.7 | 115 | 158 | 50.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2674 | T | 31.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | -125.6 | 145.9 | 116.4 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2675 | T | 33.5 | Very low | 30.6 | Very low | 130.5 Ų | 130.5 | 120 Ų | 120 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | trans | 118.6 | 124.2 | 136.6 | 31.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2676 | T | 28.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | 3.9 | 117.2 | 154.1 | 52.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2677 | T | 31.8 | Very low | 32.4 | Very low | 144 Ų | 144 | 117.7 Ų | 117.7 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | -165.3 | 156.5 | 114.1 | 14.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2678 | T | 25.6 | Very low | 34.2 | Very low | 136 Ų | 136 | 113.4 Ų | 113.4 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -99.3 | 115.3 | -169.4 | 49 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2679 | T | 30.4 | Very low | 36.7 | Very low | 121.5 Ų | 121.5 | 111.6 Ų | 111.6 | 75% | 0.745 | 68% | 0.683 | S | S | * | * | trans | -151.6 | 151.1 | 163 | 24.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2680 | S | 29.8 | Very low | 39.4 | Very low | 71.5 Ų | 71.5 | 107 Ų | 107 | 50% | 0.5 | 66% | 0.656 | S | S | . | * | trans | 17.1 | 114.6 | 172.9 | 58.7 | 0 | 0 | 0 | 0 | 119.4 | T2682 N2683 | S2680-T2682 VanDerWaalsContact C-N 3.25Å; S2680-T2682 PolarHBondContact O-N 3.18Å; S2680-N2683 PolarHBondContact OG-ND2 2.99Å | ||
| 2681 | T | 29.7 | Very low | 42.1 | Very low | 147.5 Ų | 147.5 | 101.7 Ų | 101.7 | 91% | 0.905 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -72.7 | 24.5 | 169.8 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 2682 | T | 33.4 | Very low | 45 | Very low | 114.5 Ų | 114.5 | 96.2 Ų | 96.2 | 70% | 0.702 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -101.8 | -5.1 | 178.7 | 48 | 0 | 0 | 0 | 0 | 114 | S2680 A2684 | S2680-T2682 VanDerWaalsContact C-N 3.25Å; S2680-T2682 PolarHBondContact O-N 3.18Å; T2682-A2684 PolarHBondContact O-N 2.88Å |
| 2683 | N | 33.5 | Very low | 47.9 | Very low | 94 Ų | 94 | 91.6 Ų | 91.6 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -98.9 | 14.7 | -164.8 | -112.3 | -31.3 | 0 | 0 | 0 | 115.5 | S2680 S2686 | S2680-N2683 PolarHBondContact OG-ND2 2.99Å; N2683-S2686 PolarHBondContact O-OG 2.91Å; N2683-S2686 PolarHBondContact OD1-OG 3.32Å | ||
| 2684 | A | 31.1 | Very low | 50.7 | Low | 69.5 Ų | 69.5 | 86.3 Ų | 86.3 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -79.3 | -50.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T2682 S2686 K2687 | T2682-A2684 PolarHBondContact O-N 2.88Å; A2684-S2686 VanDerWaalsContact C-N 3.29Å; A2684-S2686 PolarHBondContact O-N 3.37Å; A2684-K2687 PolarHBondContact O-N 3.24Å |
| 2685 | N | 37.3 | Very low | 53.7 | Low | 129.5 Ų | 129.5 | 82.1 Ų | 82.1 | 69% | 0.693 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71 | -19.4 | -172.2 | -60 | 13.4 | 0 | 0 | 0 | 113.6 | S2688 C2689 | N2685-S2688 PolarHBondContact O-OG 3.07Å; N2685-S2688 VanDerWaalsContact O-OG 3.1Å; N2685-C2689 WeakPolarHBondContact O-CB 3.43Å; N2685-C2689 PolarHBondContact O-N 3.05Å |
| 2686 | S | 46.1 | Very low | 56.6 | Low | 50 Ų | 50 | 76 Ų | 76 | 35% | 0.35 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 174.2 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | N2683 A2684 C2689 S2690 | N2683-S2686 PolarHBondContact O-OG 2.91Å; N2683-S2686 PolarHBondContact OD1-OG 3.32Å; A2684-S2686 VanDerWaalsContact C-N 3.29Å; A2684-S2686 PolarHBondContact O-N 3.37Å; S2686-C2689 PolarHBondContact O-N 2.98Å; S2686-S2690 PolarHBondContact O-N 3.27Å; S2686-S2690 VanDerWaalsContact O-N 3.12Å; S2686-S2690 PolarHBondContact O-OG 3.16Å; S2686-S2690 VanDerWaalsContact O-OG 3.11Å |
| 2687 | K | 54.8 | Low | 59.7 | Low | 151.5 Ų | 151.5 | 70.1 Ų | 70.1 | 66% | 0.659 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | -178.4 | -66.4 | -174.8 | 178.3 | -174.9 | 0 | 112.8 | A2684 S2690 A2691 | A2684-K2687 PolarHBondContact O-N 3.24Å; K2687-S2690 PolarHBondContact O-N 2.8Å; K2687-A2691 PolarHBondContact O-N 2.99Å; K2687-A2691 VanDerWaalsContact O-N 3.14Å |
| 2688 | S | 66 | Low | 62.5 | Low | 51.5 Ų | 51.5 | 66.5 Ų | 66.5 | 36% | 0.36 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | N2685 S2690 A2691 H2692 | N2685-S2688 PolarHBondContact O-OG 3.07Å; N2685-S2688 VanDerWaalsContact O-OG 3.1Å; S2688-S2690 VanDerWaalsContact C-N 3.33Å; S2688-S2690 PolarHBondContact O-N 3.14Å; S2688-A2691 WeakPolarHBondContact O-CB 3.41Å; S2688-A2691 PolarHBondContact O-N 2.87Å; S2688-H2692 PolarHBondContact O-CD2 3.14Å; S2688-H2692 PolarHBondContact O-N 3.37Å; S2688-H2692 VanDerWaalsContact O-N 3.13Å |
| 2689 | C | 77.2 | Confident | 65.7 | Low | 30 Ų | 30 | 60 Ų | 60 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.2 | -46.9 | 176.3 | -173 | 0 | 0 | 0 | 0 | 112.5 | N2685 S2686 A2691 H2692 I2693 | N2685-C2689 WeakPolarHBondContact O-CB 3.43Å; N2685-C2689 PolarHBondContact O-N 3.05Å; S2686-C2689 PolarHBondContact O-N 2.98Å; C2689-A2691 VanDerWaalsContact C-N 3.31Å; C2689-A2691 PolarHBondContact O-N 3.15Å; C2689-H2692 PolarHBondContact O-N 3.14Å; C2689-H2692 VanDerWaalsContact O-N 3.17Å; C2689-I2693 WeakPolarHBondContact O-CG1 3.36Å; C2689-I2693 PolarHBondContact O-N 2.91Å |
| 2690 | S | 83.7 | Confident | 68.7 | Low | 33.5 Ų | 33.5 | 54.2 Ų | 54.2 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.6 | -43.7 | 175 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | S2686 K2687 S2688 H2692 I2693 L2694 | S2686-S2690 PolarHBondContact O-N 3.27Å; S2686-S2690 VanDerWaalsContact O-N 3.12Å; S2686-S2690 PolarHBondContact O-OG 3.16Å; S2686-S2690 VanDerWaalsContact O-OG 3.11Å; K2687-S2690 PolarHBondContact O-N 2.8Å; S2688-S2690 VanDerWaalsContact C-N 3.33Å; S2688-S2690 PolarHBondContact O-N 3.14Å; S2690-H2692 PolarHBondContact O-N 3.37Å; S2690-I2693 PolarHBondContact O-N 3.04Å; S2690-L2694 WeakPolarHBondContact O-CG 3.4Å; S2690-L2694 PolarHBondContact O-N 3.25Å |
| 2691 | A | 88.5 | Confident | 71.6 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2666 K2687 S2688 C2689 W2695 | I2666-A2691 HydrophobicContact CD1-CB 4.24Å; K2687-A2691 PolarHBondContact O-N 2.99Å; K2687-A2691 VanDerWaalsContact O-N 3.14Å; S2688-A2691 WeakPolarHBondContact O-CB 3.41Å; S2688-A2691 PolarHBondContact O-N 2.87Å; C2689-A2691 VanDerWaalsContact C-N 3.31Å; C2689-A2691 PolarHBondContact O-N 3.15Å; A2691-W2695 VanDerWaalsContact O-CB 3.32Å; A2691-W2695 WeakPolarHBondContact O-CB 3.37Å; A2691-W2695 PolarHBondContact O-N 3.09Å |
| 2692 | H | 90 | Very high | 74.5 | Confident | 12.5 Ų | 12.5 | 48.2 Ų | 48.2 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.2 | -71.1 | -77.7 | 0 | 0 | 0 | 112.5 | F2003 R2007 F2663 S2688 C2689 S2690 T2696 | F2003-H2692 WeakPolarHBondContact CB-ND1 3.48Å; F2003-H2692 HydrophobicContact CD1-CB 3.92Å; F2003-H2692 HydrophobicContact CD2-CB 3.74Å; F2003-H2692 AromaticContact CD2-CG 3.73Å; F2003-H2692 AromaticContact CD2-ND1 3.74Å; F2003-H2692 HydrophobicContact CE1-CB 3.82Å; F2003-H2692 HydrophobicContact CE2-CB 3.6Å; F2003-H2692 HydrophobicContact CG-CB 3.89Å; F2003-H2692 AromaticContact CG-CG 3.85Å; F2003-H2692 AromaticContact CG-ND1 3.62Å; F2003-H2692 HydrophobicContact CZ-CB 3.66Å; R2007-H2692 PolarHBondContact NH1-CE1 3.23Å; R2007-H2692 PolarHBondContact NH1-ND1 2.91Å; R2007-H2692 VanDerWaalsContact NH1-ND1 3.12Å; R2007-H2692 PolarHBondContact NH2-ND1 3.34Å; F2663-H2692 AromaticContact CE1-CE1 3.76Å; F2663-H2692 AromaticContact CE1-NE2 3.96Å; F2663-H2692 AromaticContact CE2-NE2 3.98Å; F2663-H2692 AromaticContact CZ-CE1 3.74Å; S2688-H2692 PolarHBondContact O-CD2 3.14Å; S2688-H2692 PolarHBondContact O-N 3.37Å; S2688-H2692 VanDerWaalsContact O-N 3.13Å; C2689-H2692 PolarHBondContact O-N 3.14Å; C2689-H2692 VanDerWaalsContact O-N 3.17Å; S2690-H2692 PolarHBondContact O-N 3.37Å; H2692-T2696 PolarHBondContact O-N 2.89Å; H2692-T2696 PolarHBondContact O-OG1 3.3Å |
| 2693 | I | 91.2 | Very high | 77.2 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177.7 | -68.6 | 165.1 | 0 | 0 | 0 | 110.6 | I2545 C2689 S2690 W2695 T2696 L2697 Y2711 V2715 V2719 L2724 I2728 | I2545-I2693 HydrophobicContact CD1-CG1 4.36Å; I2545-I2693 HydrophobicContact CG1-CG1 4.17Å; C2689-I2693 WeakPolarHBondContact O-CG1 3.36Å; C2689-I2693 PolarHBondContact O-N 2.91Å; S2690-I2693 PolarHBondContact O-N 3.04Å; I2693-W2695 VanDerWaalsContact C-N 3.32Å; I2693-W2695 PolarHBondContact O-N 2.86Å; I2693-T2696 WeakPolarHBondContact O-CA 3.24Å; I2693-T2696 WeakPolarHBondContact O-CB 3.36Å; I2693-T2696 PolarHBondContact O-N 2.75Å; I2693-L2697 PolarHBondContact O-N 3.14Å; I2693-Y2711 HydrophobicContact CG2-CE2 4.41Å; I2693-Y2711 WeakPolarHBondContact CG2-OH 3.41Å; I2693-Y2711 WeakPolarHBondContact O-CE2 3.43Å; I2693-Y2711 PolarHBondContact O-OH 3.25Å; I2693-Y2711 VanDerWaalsContact O-OH 3.13Å; I2693-V2715 HydrophobicContact CG2-CG2 4.31Å; I2693-V2719 HydrophobicContact CD1-CG2 4.24Å; I2693-V2719 HydrophobicContact CG2-CG2 4.47Å; I2693-L2724 HydrophobicContact CB-CD2 4.46Å; I2693-L2724 HydrophobicContact CD1-CD2 3.9Å; I2693-L2724 HydrophobicContact CG2-CD2 4.39Å; I2693-I2728 HydrophobicContact CG2-CD1 3.69Å |
| 2694 | L | 91.6 | Very high | 79.8 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -36 | 178.4 | -72.1 | 165.6 | 0 | 0 | 0 | 113.4 | S2690 T2696 L2697 D2698 L2724 Q2727 I2728 K2731 | S2690-L2694 WeakPolarHBondContact O-CG 3.4Å; S2690-L2694 PolarHBondContact O-N 3.25Å; L2694-T2696 VanDerWaalsContact C-N 3.26Å; L2694-T2696 PolarHBondContact O-N 2.89Å; L2694-L2697 WeakPolarHBondContact O-CB 3.49Å; L2694-L2697 PolarHBondContact O-N 3.26Å; L2694-D2698 PolarHBondContact O-N 3.08Å; L2694-L2724 HydrophobicContact CD1-CD1 3.93Å; L2694-L2724 HydrophobicContact CD2-CD1 4.18Å; L2694-L2724 HydrophobicContact CG-CD1 3.8Å; L2694-Q2727 HydrophobicContact CD2-CB 4.09Å; L2694-I2728 HydrophobicContact CD2-CG1 3.76Å; L2694-K2731 HydrophobicContact CD2-CD 4.37Å; L2694-K2731 PolarHBondContact O-NZ 3.23Å |
| 2695 | W | 93.8 | Very high | 82.5 | Confident | 39.5 Ų | 39.5 | 38.9 Ų | 38.9 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.6 | -34.5 | 172.1 | 173.3 | 79.9 | 0 | 0 | 0 | 112.1 | A2006 R2007 Y2010 A2541 A2691 I2693 L2697 D2698 V2699 | A2006-W2695 HydrophobicContact CB-CH2 3.99Å; A2006-W2695 HydrophobicContact CB-CZ3 3.93Å; R2007-W2695 HydrophobicContact CB-CH2 4.47Å; R2007-W2695 HydrophobicContact CB-CZ2 4.5Å; R2007-W2695 HydrophobicContact CG-CH2 3.78Å; R2007-W2695 HydrophobicContact CG-CZ2 3.74Å; R2007-W2695 HydrophobicContact CG-CZ3 4.23Å; Y2010-W2695 HydrophobicContact CD1-CZ2 4.1Å; Y2010-W2695 HydrophobicContact CD2-CZ2 4.29Å; Y2010-W2695 HydrophobicContact CG-CH2 4.47Å; Y2010-W2695 AromaticContact CG-CZ2 3.79Å; Y2010-W2695 HydrophobicContact CG-CZ2 3.79Å; A2541-W2695 HydrophobicContact CB-CZ3 4.39Å; A2691-W2695 VanDerWaalsContact O-CB 3.32Å; A2691-W2695 WeakPolarHBondContact O-CB 3.37Å; A2691-W2695 PolarHBondContact O-N 3.09Å; I2693-W2695 VanDerWaalsContact C-N 3.32Å; I2693-W2695 PolarHBondContact O-N 2.86Å; W2695-L2697 VanDerWaalsContact C-N 3.28Å; W2695-L2697 PolarHBondContact O-N 3.19Å; W2695-D2698 WeakPolarHBondContact O-CB 3.41Å; W2695-D2698 PolarHBondContact O-N 3.21Å; W2695-D2698 VanDerWaalsContact O-N 3.11Å; W2695-V2699 HydrophobicContact CD2-CG2 4.06Å; W2695-V2699 HydrophobicContact CE3-CG2 4.29Å; W2695-V2699 HydrophobicContact CH2-CG2 3.83Å; W2695-V2699 HydrophobicContact CZ2-CG2 3.57Å; W2695-V2699 HydrophobicContact CZ3-CG2 4.18Å; W2695-V2699 WeakPolarHBondContact O-CG2 3.44Å; W2695-V2699 PolarHBondContact O-N 3.12Å; W2695-V2699 VanDerWaalsContact O-N 3.09Å |
| 2696 | T | 93.6 | Very high | 84.9 | Confident | 0.5 Ų | 0.5 | 36.4 Ų | 36.4 | 0% | 0.003 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -32 | 177.5 | -53.7 | 0 | 0 | 0 | 0 | 112 | F2538 A2541 I2545 H2692 I2693 L2694 V2699 A2700 Y2711 | F2538-T2696 HydrophobicContact CD2-CG2 4.41Å; F2538-T2696 HydrophobicContact CE2-CG2 4.42Å; A2541-T2696 HydrophobicContact CB-CG2 3.55Å; I2545-T2696 HydrophobicContact CD1-CG2 3.83Å; H2692-T2696 PolarHBondContact O-N 2.89Å; H2692-T2696 PolarHBondContact O-OG1 3.3Å; I2693-T2696 WeakPolarHBondContact O-CA 3.24Å; I2693-T2696 WeakPolarHBondContact O-CB 3.36Å; I2693-T2696 PolarHBondContact O-N 2.75Å; L2694-T2696 VanDerWaalsContact C-N 3.26Å; L2694-T2696 PolarHBondContact O-N 2.89Å; T2696-V2699 PolarHBondContact O-N 3Å; T2696-A2700 WeakPolarHBondContact O-CB 3.37Å; T2696-A2700 PolarHBondContact O-N 3.3Å; T2696-Y2711 HydrophobicContact CG2-CD2 3.91Å; T2696-Y2711 HydrophobicContact CG2-CE2 4.03Å |
| 2697 | L | 93.4 | Very high | 87 | Confident | 2.5 Ų | 2.5 | 34.3 Ų | 34.3 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 170.6 | 178.6 | 53.8 | 0 | 0 | 0 | 111.8 | I2693 L2694 W2695 V2699 A2700 S2701 V2708 Y2711 I2728 K2731 V2732 | I2693-L2697 PolarHBondContact O-N 3.14Å; L2694-L2697 WeakPolarHBondContact O-CB 3.49Å; L2694-L2697 PolarHBondContact O-N 3.26Å; W2695-L2697 VanDerWaalsContact C-N 3.28Å; W2695-L2697 PolarHBondContact O-N 3.19Å; L2697-V2699 VanDerWaalsContact C-N 3.31Å; L2697-V2699 PolarHBondContact O-N 3.23Å; L2697-A2700 CarbonylContact O-C 3.54Å; L2697-A2700 WeakPolarHBondContact O-CA 3.34Å; L2697-A2700 WeakPolarHBondContact O-CB 3.47Å; L2697-A2700 PolarHBondContact O-N 3.49Å; L2697-S2701 WeakPolarHBondContact O-CB 3.47Å; L2697-S2701 PolarHBondContact O-N 3.04Å; L2697-S2701 PolarHBondContact O-OG 3.07Å; L2697-V2708 HydrophobicContact CD1-CG1 4.17Å; L2697-V2708 HydrophobicContact CD1-CG2 4.5Å; L2697-Y2711 HydrophobicContact CB-CD1 4.3Å; L2697-Y2711 HydrophobicContact CB-CE1 3.69Å; L2697-Y2711 HydrophobicContact CB-CE2 4.25Å; L2697-Y2711 HydrophobicContact CD1-CD1 3.76Å; L2697-Y2711 HydrophobicContact CD1-CE1 3.79Å; L2697-Y2711 HydrophobicContact CD2-CE1 4.14Å; L2697-Y2711 HydrophobicContact CG-CD1 4.5Å; L2697-Y2711 HydrophobicContact CG-CE1 4.07Å; L2697-I2728 HydrophobicContact CD2-CG2 4.39Å; L2697-K2731 HydrophobicContact CD2-CB 3.45Å; L2697-K2731 VanDerWaalsContact CD2-CB 3.45Å; L2697-K2731 HydrophobicContact CD2-CD 3.91Å; L2697-K2731 HydrophobicContact CD2-CG 4.35Å; L2697-V2732 HydrophobicContact CD1-CG2 3.93Å; L2697-V2732 HydrophobicContact CD2-CG2 3.84Å |
| 2698 | D | 92.5 | Very high | 88.7 | Confident | 68 Ų | 68 | 27.1 Ų | 27.1 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 179.1 | -57.7 | -36.4 | 0 | 0 | 0 | 111.3 | L2694 W2695 S2701 S2702 K2731 | L2694-D2698 PolarHBondContact O-N 3.08Å; W2695-D2698 WeakPolarHBondContact O-CB 3.41Å; W2695-D2698 PolarHBondContact O-N 3.21Å; W2695-D2698 VanDerWaalsContact O-N 3.11Å; D2698-S2701 PolarHBondContact O-N 3.37Å; D2698-S2701 PolarHBondContact O-OG 3.19Å; D2698-S2702 PolarHBondContact O-N 3.23Å; D2698-S2702 PolarHBondContact O-OG 3.09Å; D2698-K2731 IonicContact OD1-NZ 2.65Å; D2698-K2731 PolarHBondContact OD1-NZ 2.92Å; D2698-K2731 IonicContact OD2-NZ 3.59Å; D2698-K2731 PolarHBondContact OD2-NZ 3.35Å |
| 2699 | V | 91.8 | Very high | 89.8 | Confident | 0.5 Ų | 0.5 | 26 Ų | 26 | 0% | 0.003 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | Y2010 L2534 A2537 F2538 W2695 T2696 L2697 S2701 S2702 L2703 | Y2010-V2699 HydrophobicContact CD2-CG2 3.88Å; Y2010-V2699 HydrophobicContact CE2-CG2 4.01Å; L2534-V2699 HydrophobicContact CD1-CG1 3.96Å; A2537-V2699 HydrophobicContact CB-CG1 4.43Å; F2538-V2699 HydrophobicContact CB-CG1 4.08Å; W2695-V2699 HydrophobicContact CD2-CG2 4.06Å; W2695-V2699 HydrophobicContact CE3-CG2 4.29Å; W2695-V2699 HydrophobicContact CH2-CG2 3.83Å; W2695-V2699 HydrophobicContact CZ2-CG2 3.57Å; W2695-V2699 HydrophobicContact CZ3-CG2 4.18Å; W2695-V2699 WeakPolarHBondContact O-CG2 3.44Å; W2695-V2699 PolarHBondContact O-N 3.12Å; W2695-V2699 VanDerWaalsContact O-N 3.09Å; T2696-V2699 PolarHBondContact O-N 3Å; L2697-V2699 VanDerWaalsContact C-N 3.31Å; L2697-V2699 PolarHBondContact O-N 3.23Å; V2699-S2701 VanDerWaalsContact C-N 3.33Å; V2699-S2701 PolarHBondContact O-N 2.86Å; V2699-S2702 WeakPolarHBondContact O-CB 3.45Å; V2699-S2702 PolarHBondContact O-N 3.11Å; V2699-L2703 PolarHBondContact O-N 3.1Å |
| 2700 | A | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F2538 T2696 L2697 S2702 L2703 G2704 A2707 V2708 | F2538-A2700 HydrophobicContact CD2-CB 4.05Å; F2538-A2700 HydrophobicContact CE2-CB 3.68Å; F2538-A2700 HydrophobicContact CZ-CB 4.44Å; T2696-A2700 WeakPolarHBondContact O-CB 3.37Å; T2696-A2700 PolarHBondContact O-N 3.3Å; L2697-A2700 CarbonylContact O-C 3.54Å; L2697-A2700 WeakPolarHBondContact O-CA 3.34Å; L2697-A2700 WeakPolarHBondContact O-CB 3.47Å; L2697-A2700 PolarHBondContact O-N 3.49Å; A2700-S2702 PolarHBondContact O-N 3.34Å; A2700-L2703 PolarHBondContact O-N 3.07Å; A2700-G2704 PolarHBondContact O-N 3.28Å; A2700-A2707 HydrophobicContact CB-CB 4.31Å; A2700-V2708 HydrophobicContact CB-CG2 4.25Å |
| 2701 | S | 91.4 | Very high | 90.8 | Very high | 36 Ų | 36 | 25.8 Ų | 25.8 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.4 | -31.8 | 175.1 | 8.3 | 0 | 0 | 0 | 0 | 112.5 | L2697 D2698 V2699 L2703 G2704 Y2735 | L2697-S2701 WeakPolarHBondContact O-CB 3.47Å; L2697-S2701 PolarHBondContact O-N 3.04Å; L2697-S2701 PolarHBondContact O-OG 3.07Å; D2698-S2701 PolarHBondContact O-N 3.37Å; D2698-S2701 PolarHBondContact O-OG 3.19Å; V2699-S2701 VanDerWaalsContact C-N 3.33Å; V2699-S2701 PolarHBondContact O-N 2.86Å; S2701-L2703 VanDerWaalsContact C-N 3.27Å; S2701-L2703 PolarHBondContact O-N 3.34Å; S2701-G2704 PolarHBondContact O-N 3.43Å; S2701-Y2735 WeakPolarHBondContact O-CE2 3.48Å; S2701-Y2735 PolarHBondContact O-OH 3.49Å; S2701-Y2735 VanDerWaalsContact O-OH 3.11Å; S2701-Y2735 WeakPolarHBondContact OG-CD2 3.41Å |
| 2702 | S | 89.8 | Confident | 90.9 | Very high | 57.5 Ų | 57.5 | 24 Ų | 24 | 40% | 0.402 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -74.4 | -18.8 | 176.6 | -54.1 | 0 | 0 | 0 | 0 | 113.5 | D2698 V2699 A2700 | D2698-S2702 PolarHBondContact O-N 3.23Å; D2698-S2702 PolarHBondContact O-OG 3.09Å; V2699-S2702 WeakPolarHBondContact O-CB 3.45Å; V2699-S2702 PolarHBondContact O-N 3.11Å; A2700-S2702 PolarHBondContact O-N 3.34Å |
| 2703 | L | 90 | Very high | 90.9 | Very high | 39.5 Ų | 39.5 | 26.7 Ų | 26.7 | 21% | 0.207 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -93.2 | -17.4 | 174.7 | -74.7 | 170.4 | 0 | 0 | 0 | 113.4 | L2534 I2535 F2538 V2699 A2700 S2701 A2707 | L2534-L2703 HydrophobicContact CB-CD2 4.25Å; L2534-L2703 HydrophobicContact CD2-CD2 3.71Å; L2534-L2703 HydrophobicContact CD2-CG 3.97Å; L2534-L2703 HydrophobicContact CG-CD1 4.48Å; L2534-L2703 HydrophobicContact CG-CD2 3.73Å; L2534-L2703 HydrophobicContact CG-CG 3.89Å; I2535-L2703 HydrophobicContact CG1-CD2 3.7Å; F2538-L2703 HydrophobicContact CB-CD1 3.43Å; F2538-L2703 VanDerWaalsContact CB-CD1 3.48Å; F2538-L2703 HydrophobicContact CD1-CD1 3.9Å; F2538-L2703 HydrophobicContact CD2-CD1 4.43Å; F2538-L2703 HydrophobicContact CG-CD1 3.7Å; V2699-L2703 PolarHBondContact O-N 3.1Å; A2700-L2703 PolarHBondContact O-N 3.07Å; S2701-L2703 VanDerWaalsContact C-N 3.27Å; S2701-L2703 PolarHBondContact O-N 3.34Å; L2703-A2707 HydrophobicContact CB-CB 3.59Å; L2703-A2707 HydrophobicContact CD1-CB 4.16Å |
| 2704 | G | 89.2 | Confident | 90.7 | Very high | 14.5 Ų | 14.5 | 27.6 Ų | 27.6 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | trans | 105.8 | -180 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A2700 S2701 L2706 A2707 V2708 Y2735 | A2700-G2704 PolarHBondContact O-N 3.28Å; S2701-G2704 PolarHBondContact O-N 3.43Å; G2704-L2706 VanDerWaalsContact C-N 3.3Å; G2704-L2706 PolarHBondContact O-N 3.36Å; G2704-L2706 VanDerWaalsContact O-N 3.12Å; G2704-A2707 PolarHBondContact O-N 3.34Å; G2704-A2707 VanDerWaalsContact O-N 3.09Å; G2704-V2708 PolarHBondContact O-N 2.93Å; G2704-Y2735 VanDerWaalsContact C-OH 3.31Å; G2704-Y2735 VanDerWaalsContact CA-OH 3.31Å; G2704-Y2735 WeakPolarHBondContact CA-OH 3.41Å | ||
| 2705 | P | 87.7 | Confident | 90.6 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 18% | 0.175 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -25.8 | -164.8 | 25 | -36 | 0 | 0 | 0 | 114.6 | V2708 N2709 Y2735 F2736 Y2739 F3004 | P2705-V2708 PolarHBondContact O-N 2.93Å; P2705-N2709 WeakPolarHBondContact O-CB 3.2Å; P2705-N2709 PolarHBondContact O-N 2.96Å; P2705-N2709 VanDerWaalsContact O-N 3.1Å; P2705-Y2735 HydrophobicContact CB-CE1 4.47Å; P2705-Y2735 WeakPolarHBondContact CD-OH 3.34Å; P2705-F2736 HydrophobicContact CB-CE1 4.01Å; P2705-Y2739 HydrophobicContact CB-CE2 4.49Å; P2705-Y2739 HydrophobicContact CG-CE1 4.49Å; P2705-Y2739 HydrophobicContact CG-CE2 4.12Å; P2705-F3004 HydrophobicContact CB-CD1 4.31Å; P2705-F3004 HydrophobicContact CB-CE1 4.28Å |
| 2706 | L | 87.8 | Confident | 90.2 | Very high | 77 Ų | 77 | 27.1 Ų | 27.1 | 40% | 0.403 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.3 | -40.4 | 175.9 | -65.5 | 174.2 | 0 | 0 | 0 | 112.1 | G2704 N2709 E2710 H2889 | G2704-L2706 VanDerWaalsContact C-N 3.3Å; G2704-L2706 PolarHBondContact O-N 3.36Å; G2704-L2706 VanDerWaalsContact O-N 3.12Å; L2706-N2709 PolarHBondContact O-N 3.11Å; L2706-E2710 PolarHBondContact O-N 3.19Å; L2706-E2710 VanDerWaalsContact O-N 3.09Å; L2706-H2889 HydrophobicContact CD1-CB 4.43Å |
| 2707 | A | 90 | Very high | 89.7 | Confident | 6.5 Ų | 6.5 | 33.5 Ų | 33.5 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F2538 A2700 L2703 G2704 N2709 E2710 Y2711 | F2538-A2707 HydrophobicContact CD1-CB 4.47Å; F2538-A2707 HydrophobicContact CE1-CB 4.09Å; F2538-A2707 HydrophobicContact CE2-CB 4.44Å; F2538-A2707 HydrophobicContact CZ-CB 4.13Å; F2538-A2707 WeakPolarHBondContact CZ-O 3.39Å; A2700-A2707 HydrophobicContact CB-CB 4.31Å; L2703-A2707 HydrophobicContact CB-CB 3.59Å; L2703-A2707 HydrophobicContact CD1-CB 4.16Å; G2704-A2707 PolarHBondContact O-N 3.34Å; G2704-A2707 VanDerWaalsContact O-N 3.09Å; A2707-N2709 VanDerWaalsContact C-N 3.33Å; A2707-E2710 PolarHBondContact O-N 3.06Å; A2707-Y2711 WeakPolarHBondContact O-CB 3.43Å; A2707-Y2711 PolarHBondContact O-N 3.31Å |
| 2708 | V | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | L2697 A2700 G2704 P2705 Y2711 C2712 V2732 Y2735 F2736 | L2697-V2708 HydrophobicContact CD1-CG1 4.17Å; L2697-V2708 HydrophobicContact CD1-CG2 4.5Å; A2700-V2708 HydrophobicContact CB-CG2 4.25Å; G2704-V2708 PolarHBondContact O-N 2.93Å; P2705-V2708 PolarHBondContact O-N 2.93Å; V2708-Y2711 WeakPolarHBondContact O-CB 3.19Å; V2708-Y2711 PolarHBondContact O-N 3.19Å; V2708-C2712 PolarHBondContact O-N 3.15Å; V2708-C2712 PolarHBondContact O-SG 2.96Å; V2708-C2712 VanDerWaalsContact O-SG 3.38Å; V2708-V2732 HydrophobicContact CG1-CG2 4.46Å; V2708-Y2735 HydrophobicContact CB-CE1 4.32Å; V2708-Y2735 HydrophobicContact CG1-CD1 4.29Å; V2708-Y2735 HydrophobicContact CG1-CE1 4.41Å; V2708-Y2735 HydrophobicContact CG2-CD1 4.14Å; V2708-Y2735 HydrophobicContact CG2-CE1 3.79Å; V2708-Y2735 HydrophobicContact CG2-CE2 4.26Å; V2708-F2736 HydrophobicContact CB-CZ 4.2Å; V2708-F2736 HydrophobicContact CG1-CE2 3.99Å; V2708-F2736 HydrophobicContact CG1-CZ 4.01Å |
| 2709 | N | 88.7 | Confident | 88.8 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 175 | -122.5 | 35.3 | 0 | 0 | 0 | 112.2 | P2705 L2706 A2707 Y2711 C2712 D2713 F3004 V3009 | P2705-N2709 WeakPolarHBondContact O-CB 3.2Å; P2705-N2709 PolarHBondContact O-N 2.96Å; P2705-N2709 VanDerWaalsContact O-N 3.1Å; L2706-N2709 PolarHBondContact O-N 3.11Å; A2707-N2709 VanDerWaalsContact C-N 3.33Å; N2709-Y2711 PolarHBondContact O-N 3.02Å; N2709-C2712 WeakPolarHBondContact O-CB 3.02Å; N2709-C2712 PolarHBondContact O-N 3.04Å; N2709-C2712 VanDerWaalsContact O-N 3.11Å; N2709-D2713 PolarHBondContact ND2-OD2 2.77Å; N2709-D2713 VanDerWaalsContact O-CG 3.3Å; N2709-D2713 PolarHBondContact O-N 3.2Å; N2709-F3004 HydrophobicContact CB-CE2 4.23Å; N2709-F3004 HydrophobicContact CB-CZ 3.76Å; N2709-F3004 WeakPolarHBondContact OD1-CZ 3.43Å; N2709-V3009 WeakPolarHBondContact OD1-CG2 3.41Å |
| 2710 | E | 89.3 | Confident | 88.4 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.6 | -34.7 | 177.1 | -70.8 | -165.2 | 158.2 | 0 | 0 | 112.9 | F2538 K2542 L2706 A2707 L2714 | F2538-E2710 HydrophobicContact CZ-CB 4.36Å; K2542-E2710 IonicContact NZ-OE1 3.01Å; K2542-E2710 PolarHBondContact NZ-OE1 2.79Å; K2542-E2710 IonicContact NZ-OE2 2.65Å; K2542-E2710 PolarHBondContact NZ-OE2 2.8Å; L2706-E2710 PolarHBondContact O-N 3.19Å; L2706-E2710 VanDerWaalsContact O-N 3.09Å; A2707-E2710 PolarHBondContact O-N 3.06Å; E2710-L2714 VanDerWaalsContact O-CD1 3.24Å; E2710-L2714 WeakPolarHBondContact O-CD1 3.33Å; E2710-L2714 WeakPolarHBondContact O-CG 3.37Å; E2710-L2714 PolarHBondContact O-N 3.11Å |
| 2711 | Y | 92.4 | Very high | 88 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 174 | 169.4 | -91.3 | 0 | 0 | 0 | 111.7 | I2545 I2693 T2696 L2697 A2707 V2708 N2709 D2713 L2714 V2715 I2728 | I2545-Y2711 HydrophobicContact CD1-CD2 4.34Å; I2545-Y2711 HydrophobicContact CD1-CE2 4.04Å; I2693-Y2711 HydrophobicContact CG2-CE2 4.41Å; I2693-Y2711 WeakPolarHBondContact CG2-OH 3.41Å; I2693-Y2711 WeakPolarHBondContact O-CE2 3.43Å; I2693-Y2711 PolarHBondContact O-OH 3.25Å; I2693-Y2711 VanDerWaalsContact O-OH 3.13Å; T2696-Y2711 HydrophobicContact CG2-CD2 3.91Å; T2696-Y2711 HydrophobicContact CG2-CE2 4.03Å; L2697-Y2711 HydrophobicContact CB-CD1 4.3Å; L2697-Y2711 HydrophobicContact CB-CE1 3.69Å; L2697-Y2711 HydrophobicContact CB-CE2 4.25Å; L2697-Y2711 HydrophobicContact CD1-CD1 3.76Å; L2697-Y2711 HydrophobicContact CD1-CE1 3.79Å; L2697-Y2711 HydrophobicContact CD2-CE1 4.14Å; L2697-Y2711 HydrophobicContact CG-CD1 4.5Å; L2697-Y2711 HydrophobicContact CG-CE1 4.07Å; A2707-Y2711 WeakPolarHBondContact O-CB 3.43Å; A2707-Y2711 PolarHBondContact O-N 3.31Å; V2708-Y2711 WeakPolarHBondContact O-CB 3.19Å; V2708-Y2711 PolarHBondContact O-N 3.19Å; N2709-Y2711 PolarHBondContact O-N 3.02Å; Y2711-D2713 PolarHBondContact O-N 3.47Å; Y2711-L2714 PolarHBondContact O-N 3.14Å; Y2711-V2715 HydrophobicContact CD1-CG2 4.19Å; Y2711-V2715 HydrophobicContact CD2-CG2 4.27Å; Y2711-V2715 HydrophobicContact CE1-CG2 3.69Å; Y2711-V2715 HydrophobicContact CE2-CG2 3.8Å; Y2711-V2715 HydrophobicContact CG-CG2 4.46Å; Y2711-V2715 VanDerWaalsContact CZ-CG2 3.43Å; Y2711-V2715 WeakPolarHBondContact O-CG2 3.34Å; Y2711-V2715 PolarHBondContact O-N 2.88Å; Y2711-I2728 HydrophobicContact CE1-CG2 3.88Å |
| 2712 | C | 90.9 | Very high | 87.6 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | V2708 N2709 L2714 V2715 L2716 V3009 L3013 | V2708-C2712 PolarHBondContact O-N 3.15Å; V2708-C2712 PolarHBondContact O-SG 2.96Å; V2708-C2712 VanDerWaalsContact O-SG 3.38Å; N2709-C2712 WeakPolarHBondContact O-CB 3.02Å; N2709-C2712 PolarHBondContact O-N 3.04Å; N2709-C2712 VanDerWaalsContact O-N 3.11Å; C2712-L2714 PolarHBondContact O-N 3.08Å; C2712-V2715 PolarHBondContact O-N 3.03Å; C2712-L2716 WeakPolarHBondContact O-CB 3.4Å; C2712-L2716 VanDerWaalsContact O-CG 3.3Å; C2712-L2716 WeakPolarHBondContact O-CG 3.42Å; C2712-L2716 PolarHBondContact O-N 2.89Å; C2712-V3009 HydrophobicContact CB-CG1 3.39Å; C2712-L3013 HydrophobicContact CB-CD1 4.28Å |
| 2713 | D | 88.8 | Confident | 87.4 | Confident | 68.5 Ų | 68.5 | 41.1 Ų | 41.1 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.6 | -36.2 | 178.3 | -70.6 | -24.1 | 0 | 0 | 0 | 112 | N2709 Y2711 Q2717 | N2709-D2713 PolarHBondContact ND2-OD2 2.77Å; N2709-D2713 VanDerWaalsContact O-CG 3.3Å; N2709-D2713 PolarHBondContact O-N 3.2Å; Y2711-D2713 PolarHBondContact O-N 3.47Å; D2713-Q2717 WeakPolarHBondContact O-CG 3.3Å; D2713-Q2717 PolarHBondContact O-NE2 3.11Å |
| 2714 | L | 88.2 | Confident | 87.3 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.4 | -43.7 | 176.1 | -71.2 | 164.3 | 0 | 0 | 0 | 112.8 | K2542 I2545 E2710 Y2711 C2712 L2716 Q2717 C2718 | K2542-L2714 HydrophobicContact CB-CD1 4.15Å; K2542-L2714 HydrophobicContact CD-CD1 3.95Å; K2542-L2714 HydrophobicContact CG-CD1 3.45Å; I2545-L2714 HydrophobicContact CG2-CB 4.34Å; E2710-L2714 VanDerWaalsContact O-CD1 3.24Å; E2710-L2714 WeakPolarHBondContact O-CD1 3.33Å; E2710-L2714 WeakPolarHBondContact O-CG 3.37Å; E2710-L2714 PolarHBondContact O-N 3.11Å; Y2711-L2714 PolarHBondContact O-N 3.14Å; C2712-L2714 PolarHBondContact O-N 3.08Å; L2714-L2716 VanDerWaalsContact C-N 3.29Å; L2714-L2716 PolarHBondContact O-N 3.11Å; L2714-Q2717 WeakPolarHBondContact O-CA 3.46Å; L2714-Q2717 WeakPolarHBondContact O-CB 3.4Å; L2714-Q2717 PolarHBondContact O-N 3.14Å; L2714-C2718 VanDerWaalsContact O-CB 3.31Å; L2714-C2718 WeakPolarHBondContact O-CB 3.48Å; L2714-C2718 PolarHBondContact O-N 3.03Å; L2714-C2718 PolarHBondContact O-SG 3.33Å |
| 2715 | V | 88.2 | Confident | 87.2 | Confident | 0.5 Ų | 0.5 | 39.5 Ų | 39.5 | 0% | 0.003 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 179.4 | 161.1 | 0 | 0 | 0 | 0 | 111.2 | I2693 Y2711 C2712 Q2717 C2718 V2719 M2725 I2728 | I2693-V2715 HydrophobicContact CG2-CG2 4.31Å; Y2711-V2715 HydrophobicContact CD1-CG2 4.19Å; Y2711-V2715 HydrophobicContact CD2-CG2 4.27Å; Y2711-V2715 HydrophobicContact CE1-CG2 3.69Å; Y2711-V2715 HydrophobicContact CE2-CG2 3.8Å; Y2711-V2715 HydrophobicContact CG-CG2 4.46Å; Y2711-V2715 VanDerWaalsContact CZ-CG2 3.43Å; Y2711-V2715 WeakPolarHBondContact O-CG2 3.34Å; Y2711-V2715 PolarHBondContact O-N 2.88Å; C2712-V2715 PolarHBondContact O-N 3.03Å; V2715-Q2717 PolarHBondContact O-N 2.84Å; V2715-Q2717 VanDerWaalsContact O-N 3.14Å; V2715-C2718 PolarHBondContact O-N 3.2Å; V2715-V2719 HydrophobicContact CB-CG2 4.47Å; V2715-V2719 HydrophobicContact CG1-CB 4.08Å; V2715-V2719 HydrophobicContact CG1-CG2 3.93Å; V2715-V2719 HydrophobicContact CG2-CG2 4.39Å; V2715-V2719 PolarHBondContact O-N 3.4Å; V2715-M2725 HydrophobicContact CG1-CE 3.64Å; V2715-M2725 HydrophobicContact CG1-SD 3.57Å; V2715-M2725 VanDerWaalsContact CG1-SD 3.57Å; V2715-I2728 HydrophobicContact CG1-CD1 3.79Å; V2715-I2728 HydrophobicContact CG1-CG2 4.28Å; V2715-I2728 HydrophobicContact CG2-CD1 4.24Å |
| 2716 | L | 85.9 | Confident | 87.2 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -19.6 | 175 | -71.7 | 172 | 0 | 0 | 0 | 113.8 | C2712 L2714 N3012 L3013 H3016 | C2712-L2716 WeakPolarHBondContact O-CB 3.4Å; C2712-L2716 VanDerWaalsContact O-CG 3.3Å; C2712-L2716 WeakPolarHBondContact O-CG 3.42Å; C2712-L2716 PolarHBondContact O-N 2.89Å; L2714-L2716 VanDerWaalsContact C-N 3.29Å; L2714-L2716 PolarHBondContact O-N 3.11Å; L2716-N3012 HydrophobicContact CD1-CB 4.14Å; L2716-L3013 HydrophobicContact CD2-CD2 4Å; L2716-L3013 HydrophobicContact CG-CD2 4.11Å; L2716-H3016 HydrophobicContact CD2-CB 3.46Å; L2716-H3016 VanDerWaalsContact CD2-CB 3.46Å; L2716-H3016 PolarHBondContact O-CE1 3.36Å; L2716-H3016 VanDerWaalsContact O-CE1 3.23Å |
| 2717 | Q | 83.9 | Confident | 87.3 | Confident | 134.5 Ų | 134.5 | 42.9 Ų | 42.9 | 63% | 0.629 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -98.7 | -9.2 | 176.4 | -63.3 | 169.9 | 48.2 | 0 | 0 | 113.5 | S2549 D2713 L2714 V2715 | S2549-Q2717 PolarHBondContact OG-O 3.25Å; D2713-Q2717 WeakPolarHBondContact O-CG 3.3Å; D2713-Q2717 PolarHBondContact O-NE2 3.11Å; L2714-Q2717 WeakPolarHBondContact O-CA 3.46Å; L2714-Q2717 WeakPolarHBondContact O-CB 3.4Å; L2714-Q2717 PolarHBondContact O-N 3.14Å; V2715-Q2717 PolarHBondContact O-N 2.84Å; V2715-Q2717 VanDerWaalsContact O-N 3.14Å |
| 2718 | C | 83.8 | Confident | 87.3 | Confident | 6.5 Ų | 6.5 | 42.6 Ų | 42.6 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -131.5 | -21.2 | -168.7 | 10.3 | 0 | 0 | 0 | 0 | 115.8 | I2545 S2549 Q2552 L2714 V2715 | I2545-C2718 HydrophobicContact CG2-CB 3.92Å; I2545-C2718 VanDerWaalsContact CG2-SG 3.52Å; S2549-C2718 VanDerWaalsContact CB-SG 3.51Å; Q2552-C2718 PolarHBondContact NE2-O 3.44Å; L2714-C2718 VanDerWaalsContact O-CB 3.31Å; L2714-C2718 WeakPolarHBondContact O-CB 3.48Å; L2714-C2718 PolarHBondContact O-N 3.03Å; L2714-C2718 PolarHBondContact O-SG 3.33Å; V2715-C2718 PolarHBondContact O-N 3.2Å |
| 2719 | V | 83.3 | Confident | 87.2 | Confident | 14.5 Ų | 14.5 | 42.9 Ų | 42.9 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | trans | -104.4 | 99.2 | -174.2 | 177.6 | 0 | 0 | 0 | 0 | 111 | I2693 V2715 C2721 L2724 M2725 L3020 | I2693-V2719 HydrophobicContact CD1-CG2 4.24Å; I2693-V2719 HydrophobicContact CG2-CG2 4.47Å; V2715-V2719 HydrophobicContact CB-CG2 4.47Å; V2715-V2719 HydrophobicContact CG1-CB 4.08Å; V2715-V2719 HydrophobicContact CG1-CG2 3.93Å; V2715-V2719 HydrophobicContact CG2-CG2 4.39Å; V2715-V2719 PolarHBondContact O-N 3.4Å; V2719-C2721 VanDerWaalsContact C-N 3.34Å; V2719-C2721 HydrophobicContact CG1-CB 4.46Å; V2719-L2724 HydrophobicContact CG1-CB 4.05Å; V2719-L2724 HydrophobicContact CG1-CD2 3.82Å; V2719-L2724 HydrophobicContact CG1-CG 3.94Å; V2719-L2724 HydrophobicContact CG2-CD2 4.3Å; V2719-M2725 HydrophobicContact CB-CE 3.68Å; V2719-M2725 HydrophobicContact CG1-CB 4.48Å; V2719-M2725 HydrophobicContact CG1-CE 3.89Å; V2719-M2725 VanDerWaalsContact O-CE 3.27Å; V2719-M2725 WeakPolarHBondContact O-CE 3.45Å; V2719-L3020 WeakPolarHBondContact O-CD1 3.26Å | ||
| 2720 | N | 81.8 | Confident | 87.3 | Confident | 95 Ų | 95 | 44.4 Ų | 44.4 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | trans | -86.2 | 0.6 | 175.6 | -66.3 | -72.7 | 0 | 0 | 0 | 114 | Q2552 P2722 | Q2552-N2720 PolarHBondContact OE1-ND2 2.91Å; N2720-P2722 WeakPolarHBondContact O-CD 3.46Å | ||
| 2721 | C | 85.3 | Confident | 87.4 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | trans | -95.6 | 114.6 | -175.1 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | V2719 L2723 L2724 M2725 | V2719-C2721 VanDerWaalsContact C-N 3.34Å; V2719-C2721 HydrophobicContact CG1-CB 4.46Å; C2721-L2723 PolarHBondContact O-N 3.13Å; C2721-L2724 HydrophobicContact CB-CB 4.1Å; C2721-L2724 PolarHBondContact O-N 3.09Å; C2721-M2725 PolarHBondContact O-N 3.11Å | ||
| 2722 | P | 82.9 | Confident | 87.3 | Confident | 55.5 Ų | 55.5 | 45 Ų | 45 | 36% | 0.36 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.1 | -40.8 | -174.2 | -2.4 | 2.1 | 0 | 0 | 0 | 113.6 | N2720 L2724 M2725 E2726 L3020 F3021 | N2720-P2722 WeakPolarHBondContact O-CD 3.46Å; P2722-L2724 VanDerWaalsContact C-N 3.33Å; P2722-L2724 PolarHBondContact O-N 3.11Å; P2722-M2725 CarbonylContact O-C 3.52Å; P2722-M2725 WeakPolarHBondContact O-CA 3.37Å; P2722-M2725 WeakPolarHBondContact O-CB 3.26Å; P2722-M2725 PolarHBondContact O-N 2.96Å; P2722-M2725 VanDerWaalsContact O-N 3.09Å; P2722-E2726 WeakPolarHBondContact O-CB 3.34Å; P2722-E2726 PolarHBondContact O-N 3.2Å; P2722-L3020 HydrophobicContact CB-CB 3.91Å; P2722-F3021 HydrophobicContact CB-CD1 3.85Å; P2722-F3021 HydrophobicContact CB-CD2 3.68Å; P2722-F3021 HydrophobicContact CB-CE1 3.93Å; P2722-F3021 HydrophobicContact CB-CE2 3.73Å; P2722-F3021 HydrophobicContact CB-CG 3.74Å; P2722-F3021 HydrophobicContact CB-CZ 3.88Å; P2722-F3021 HydrophobicContact CG-CD1 4.35Å; P2722-F3021 HydrophobicContact CG-CE1 4.43Å |
| 2723 | L | 86 | Confident | 87.2 | Confident | 94.5 Ų | 94.5 | 47.5 Ų | 47.5 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -31.9 | -179.9 | -58.8 | 176.2 | 0 | 0 | 0 | 113 | C2721 Q2727 F3021 K3048 | C2721-L2723 PolarHBondContact O-N 3.13Å; L2723-Q2727 WeakPolarHBondContact O-CG 3.37Å; L2723-Q2727 PolarHBondContact O-N 3.32Å; L2723-F3021 HydrophobicContact CD2-CE1 4.02Å; L2723-F3021 HydrophobicContact CD2-CZ 3.92Å; L2723-K3048 HydrophobicContact CD2-CB 4.19Å; L2723-K3048 HydrophobicContact CD2-CD 4.19Å; L2723-K3048 HydrophobicContact CD2-CG 4.44Å |
| 2724 | L | 87.7 | Confident | 87.3 | Confident | 10.5 Ų | 10.5 | 48 Ų | 48 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.6 | -38.3 | 173.7 | -179.4 | 57.8 | 0 | 0 | 0 | 110.7 | I2693 L2694 V2719 C2721 P2722 Q2727 I2728 | I2693-L2724 HydrophobicContact CB-CD2 4.46Å; I2693-L2724 HydrophobicContact CD1-CD2 3.9Å; I2693-L2724 HydrophobicContact CG2-CD2 4.39Å; L2694-L2724 HydrophobicContact CD1-CD1 3.93Å; L2694-L2724 HydrophobicContact CD2-CD1 4.18Å; L2694-L2724 HydrophobicContact CG-CD1 3.8Å; V2719-L2724 HydrophobicContact CG1-CB 4.05Å; V2719-L2724 HydrophobicContact CG1-CD2 3.82Å; V2719-L2724 HydrophobicContact CG1-CG 3.94Å; V2719-L2724 HydrophobicContact CG2-CD2 4.3Å; C2721-L2724 HydrophobicContact CB-CB 4.1Å; C2721-L2724 PolarHBondContact O-N 3.09Å; P2722-L2724 VanDerWaalsContact C-N 3.33Å; P2722-L2724 PolarHBondContact O-N 3.11Å; L2724-Q2727 PolarHBondContact O-N 2.92Å; L2724-I2728 HydrophobicContact CD1-CD1 4.13Å; L2724-I2728 HydrophobicContact CD1-CG1 4.38Å; L2724-I2728 HydrophobicContact CG-CD1 3.91Å; L2724-I2728 WeakPolarHBondContact O-CB 3.47Å; L2724-I2728 WeakPolarHBondContact O-CD1 3.34Å; L2724-I2728 VanDerWaalsContact O-CG1 3.26Å; L2724-I2728 WeakPolarHBondContact O-CG1 3.34Å; L2724-I2728 PolarHBondContact O-N 3.1Å |
| 2725 | M | 87.8 | Confident | 87.4 | Confident | 10.5 Ų | 10.5 | 48.5 Ų | 48.5 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176 | -151.4 | 3.2 | -1.9 | 0 | 0 | 111.4 | V2715 V2719 C2721 P2722 Q2727 I2728 T2729 L3013 T3017 L3020 | V2715-M2725 HydrophobicContact CG1-CE 3.64Å; V2715-M2725 HydrophobicContact CG1-SD 3.57Å; V2715-M2725 VanDerWaalsContact CG1-SD 3.57Å; V2719-M2725 HydrophobicContact CB-CE 3.68Å; V2719-M2725 HydrophobicContact CG1-CB 4.48Å; V2719-M2725 HydrophobicContact CG1-CE 3.89Å; V2719-M2725 VanDerWaalsContact O-CE 3.27Å; V2719-M2725 WeakPolarHBondContact O-CE 3.45Å; C2721-M2725 PolarHBondContact O-N 3.11Å; P2722-M2725 CarbonylContact O-C 3.52Å; P2722-M2725 WeakPolarHBondContact O-CA 3.37Å; P2722-M2725 WeakPolarHBondContact O-CB 3.26Å; P2722-M2725 PolarHBondContact O-N 2.96Å; P2722-M2725 VanDerWaalsContact O-N 3.09Å; M2725-Q2727 PolarHBondContact O-N 2.64Å; M2725-I2728 CarbonylContact O-C 3.57Å; M2725-I2728 PolarHBondContact O-N 3.09Å; M2725-I2728 VanDerWaalsContact O-N 3.09Å; M2725-T2729 WeakPolarHBondContact CE-OG1 3.41Å; M2725-T2729 VanDerWaalsContact O-CB 3.3Å; M2725-T2729 WeakPolarHBondContact O-CB 3.46Å; M2725-T2729 PolarHBondContact O-N 2.95Å; M2725-T2729 PolarHBondContact O-OG1 3.36Å; M2725-L3013 HydrophobicContact SD-CD2 3.95Å; M2725-T3017 HydrophobicContact CG-CG2 4.48Å; M2725-T3017 WeakPolarHBondContact CG-OG1 3.47Å; M2725-L3020 HydrophobicContact CB-CD1 3.93Å; M2725-L3020 HydrophobicContact CE-CD1 3.97Å; M2725-L3020 HydrophobicContact CG-CD1 4.25Å |
| 2726 | E | 88 | Confident | 87.3 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -53.5 | -52.2 | 171.9 | 176.5 | -177.2 | -169.5 | 0 | 0 | 111.9 | P2722 I2728 T2729 S2730 T3017 F3021 V3052 | P2722-E2726 WeakPolarHBondContact O-CB 3.34Å; P2722-E2726 PolarHBondContact O-N 3.2Å; E2726-I2728 VanDerWaalsContact C-N 3.34Å; E2726-I2728 PolarHBondContact O-N 3.4Å; E2726-T2729 PolarHBondContact O-N 3.32Å; E2726-S2730 WeakPolarHBondContact O-CB 3.26Å; E2726-S2730 PolarHBondContact O-N 3.22Å; E2726-S2730 PolarHBondContact O-OG 3.46Å; E2726-S2730 VanDerWaalsContact O-OG 3.08Å; E2726-T3017 HydrophobicContact CB-CG2 4.44Å; E2726-F3021 HydrophobicContact CB-CE2 4.4Å; E2726-V3052 HydrophobicContact CB-CG2 4.19Å; E2726-V3052 HydrophobicContact CG-CG2 3.67Å; E2726-V3052 WeakPolarHBondContact OE1-CG2 3.2Å |
| 2727 | Q | 88.4 | Confident | 87.4 | Confident | 102.5 Ų | 102.5 | 51 Ų | 51 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 179.6 | -70.4 | 175.7 | 11.9 | 0 | 0 | 112.8 | L2694 L2723 L2724 M2725 K2731 | L2694-Q2727 HydrophobicContact CD2-CB 4.09Å; L2723-Q2727 WeakPolarHBondContact O-CG 3.37Å; L2723-Q2727 PolarHBondContact O-N 3.32Å; L2724-Q2727 PolarHBondContact O-N 2.92Å; M2725-Q2727 PolarHBondContact O-N 2.64Å; Q2727-K2731 PolarHBondContact O-N 3.2Å; Q2727-K2731 VanDerWaalsContact O-N 3.13Å |
| 2728 | I | 90.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 174.3 | -69.3 | 165.9 | 0 | 0 | 0 | 110.4 | I2693 L2694 L2697 Y2711 V2715 L2724 M2725 E2726 S2730 K2731 V2732 | I2693-I2728 HydrophobicContact CG2-CD1 3.69Å; L2694-I2728 HydrophobicContact CD2-CG1 3.76Å; L2697-I2728 HydrophobicContact CD2-CG2 4.39Å; Y2711-I2728 HydrophobicContact CE1-CG2 3.88Å; V2715-I2728 HydrophobicContact CG1-CD1 3.79Å; V2715-I2728 HydrophobicContact CG1-CG2 4.28Å; V2715-I2728 HydrophobicContact CG2-CD1 4.24Å; L2724-I2728 HydrophobicContact CD1-CD1 4.13Å; L2724-I2728 HydrophobicContact CD1-CG1 4.38Å; L2724-I2728 HydrophobicContact CG-CD1 3.91Å; L2724-I2728 WeakPolarHBondContact O-CB 3.47Å; L2724-I2728 WeakPolarHBondContact O-CD1 3.34Å; L2724-I2728 VanDerWaalsContact O-CG1 3.26Å; L2724-I2728 WeakPolarHBondContact O-CG1 3.34Å; L2724-I2728 PolarHBondContact O-N 3.1Å; M2725-I2728 CarbonylContact O-C 3.57Å; M2725-I2728 PolarHBondContact O-N 3.09Å; M2725-I2728 VanDerWaalsContact O-N 3.09Å; E2726-I2728 VanDerWaalsContact C-N 3.34Å; E2726-I2728 PolarHBondContact O-N 3.4Å; I2728-S2730 VanDerWaalsContact C-N 3.32Å; I2728-S2730 PolarHBondContact O-N 3.1Å; I2728-K2731 PolarHBondContact O-N 3.26Å; I2728-V2732 HydrophobicContact CG2-CG2 4.22Å; I2728-V2732 WeakPolarHBondContact O-CB 3.37Å; I2728-V2732 VanDerWaalsContact O-CG2 3.29Å; I2728-V2732 WeakPolarHBondContact O-CG2 3.45Å; I2728-V2732 PolarHBondContact O-N 2.98Å |
| 2729 | T | 90.1 | Very high | 87.4 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | M2725 E2726 V2732 I2733 L3013 I3014 T3017 M3056 | M2725-T2729 WeakPolarHBondContact CE-OG1 3.41Å; M2725-T2729 VanDerWaalsContact O-CB 3.3Å; M2725-T2729 WeakPolarHBondContact O-CB 3.46Å; M2725-T2729 PolarHBondContact O-N 2.95Å; M2725-T2729 PolarHBondContact O-OG1 3.36Å; E2726-T2729 PolarHBondContact O-N 3.32Å; T2729-V2732 PolarHBondContact O-N 2.92Å; T2729-I2733 HydrophobicContact CG2-CD1 3.95Å; T2729-I2733 VanDerWaalsContact O-CG1 3.28Å; T2729-I2733 WeakPolarHBondContact O-CG1 3.33Å; T2729-I2733 PolarHBondContact O-N 3.41Å; T2729-L3013 HydrophobicContact CG2-CB 3.88Å; T2729-I3014 HydrophobicContact CG2-CG1 3.71Å; T2729-T3017 PolarHBondContact OG1-OG1 2.95Å; T2729-M3056 HydrophobicContact CG2-CE 3.89Å; T2729-M3056 HydrophobicContact CG2-SD 3.54Å; T2729-M3056 VanDerWaalsContact CG2-SD 3.54Å |
| 2730 | S | 90.1 | Very high | 87.2 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 43% | 0.427 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58 | -53.8 | 173.8 | -120.6 | 0 | 0 | 0 | 0 | 111.8 | E2726 I2728 V2732 I2733 D2734 M3056 | E2726-S2730 WeakPolarHBondContact O-CB 3.26Å; E2726-S2730 PolarHBondContact O-N 3.22Å; E2726-S2730 PolarHBondContact O-OG 3.46Å; E2726-S2730 VanDerWaalsContact O-OG 3.08Å; I2728-S2730 VanDerWaalsContact C-N 3.32Å; I2728-S2730 PolarHBondContact O-N 3.1Å; S2730-V2732 VanDerWaalsContact C-N 3.3Å; S2730-V2732 PolarHBondContact O-N 3.26Å; S2730-I2733 PolarHBondContact O-N 2.98Å; S2730-D2734 WeakPolarHBondContact O-CB 3.46Å; S2730-D2734 PolarHBondContact O-N 3.02Å; S2730-M3056 WeakPolarHBondContact OG-CE 3.43Å |
| 2731 | K | 90.4 | Very high | 87.1 | Confident | 70.5 Ų | 70.5 | 57.1 Ų | 57.1 | 31% | 0.307 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 176.9 | -83.5 | -167.2 | 170.7 | -164.4 | 0 | 113.4 | L2694 L2697 D2698 Q2727 I2728 D2734 Y2735 | L2694-K2731 HydrophobicContact CD2-CD 4.37Å; L2694-K2731 PolarHBondContact O-NZ 3.23Å; L2697-K2731 HydrophobicContact CD2-CB 3.45Å; L2697-K2731 VanDerWaalsContact CD2-CB 3.45Å; L2697-K2731 HydrophobicContact CD2-CD 3.91Å; L2697-K2731 HydrophobicContact CD2-CG 4.35Å; D2698-K2731 IonicContact OD1-NZ 2.65Å; D2698-K2731 PolarHBondContact OD1-NZ 2.92Å; D2698-K2731 IonicContact OD2-NZ 3.59Å; D2698-K2731 PolarHBondContact OD2-NZ 3.35Å; Q2727-K2731 PolarHBondContact O-N 3.2Å; Q2727-K2731 VanDerWaalsContact O-N 3.13Å; I2728-K2731 PolarHBondContact O-N 3.26Å; K2731-D2734 WeakPolarHBondContact O-CB 3.37Å; K2731-D2734 PolarHBondContact O-N 3.38Å; K2731-Y2735 WeakPolarHBondContact O-CB 3.41Å; K2731-Y2735 PolarHBondContact O-N 3.15Å |
| 2732 | V | 91.2 | Very high | 86.3 | Confident | 1.5 Ų | 1.5 | 58.7 Ų | 58.7 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L2697 V2708 I2728 T2729 S2730 D2734 Y2735 F2736 I3010 L3013 | L2697-V2732 HydrophobicContact CD1-CG2 3.93Å; L2697-V2732 HydrophobicContact CD2-CG2 3.84Å; V2708-V2732 HydrophobicContact CG1-CG2 4.46Å; I2728-V2732 HydrophobicContact CG2-CG2 4.22Å; I2728-V2732 WeakPolarHBondContact O-CB 3.37Å; I2728-V2732 VanDerWaalsContact O-CG2 3.29Å; I2728-V2732 WeakPolarHBondContact O-CG2 3.45Å; I2728-V2732 PolarHBondContact O-N 2.98Å; T2729-V2732 PolarHBondContact O-N 2.92Å; S2730-V2732 VanDerWaalsContact C-N 3.3Å; S2730-V2732 PolarHBondContact O-N 3.26Å; V2732-D2734 VanDerWaalsContact C-N 3.35Å; V2732-Y2735 PolarHBondContact O-N 3.16Å; V2732-F2736 HydrophobicContact CG1-CD2 3.74Å; V2732-F2736 HydrophobicContact CG1-CE2 3.71Å; V2732-F2736 VanDerWaalsContact O-CD2 3.26Å; V2732-F2736 WeakPolarHBondContact O-CD2 3.4Å; V2732-F2736 PolarHBondContact O-N 3.27Å; V2732-F2736 VanDerWaalsContact O-N 3.13Å; V2732-I3010 HydrophobicContact CG1-CG1 4.3Å; V2732-L3013 HydrophobicContact CB-CD1 4.01Å; V2732-L3013 HydrophobicContact CG1-CD1 3.74Å; V2732-L3013 HydrophobicContact CG2-CD1 4.08Å |
| 2733 | I | 89.2 | Confident | 85.2 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 172.1 | -69.3 | 164.6 | 0 | 0 | 0 | 109.7 | T2729 S2730 Y2735 F2736 E2737 I3010 I3014 M3056 | T2729-I2733 HydrophobicContact CG2-CD1 3.95Å; T2729-I2733 VanDerWaalsContact O-CG1 3.28Å; T2729-I2733 WeakPolarHBondContact O-CG1 3.33Å; T2729-I2733 PolarHBondContact O-N 3.41Å; S2730-I2733 PolarHBondContact O-N 2.98Å; I2733-Y2735 VanDerWaalsContact C-N 3.28Å; I2733-Y2735 PolarHBondContact O-N 3Å; I2733-F2736 PolarHBondContact O-N 3.18Å; I2733-F2736 VanDerWaalsContact O-N 3.16Å; I2733-E2737 HydrophobicContact CG2-CG 4.49Å; I2733-E2737 WeakPolarHBondContact O-CB 3.4Å; I2733-E2737 PolarHBondContact O-N 3.02Å; I2733-I3010 HydrophobicContact CD1-CG2 4.32Å; I2733-I3010 HydrophobicContact CG1-CG2 3.81Å; I2733-I3014 HydrophobicContact CD1-CD1 4.23Å; I2733-I3014 HydrophobicContact CD1-CG1 4.47Å; I2733-M3056 HydrophobicContact CD1-CB 4.47Å; I2733-M3056 HydrophobicContact CD1-CE 4.15Å |
| 2734 | D | 89.6 | Confident | 83.2 | Confident | 77.5 Ų | 77.5 | 60.2 Ų | 60.2 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.2 | -41.6 | 178 | -123.6 | 43.1 | 0 | 0 | 0 | 112.5 | S2730 K2731 V2732 K2738 | S2730-D2734 WeakPolarHBondContact O-CB 3.46Å; S2730-D2734 PolarHBondContact O-N 3.02Å; K2731-D2734 WeakPolarHBondContact O-CB 3.37Å; K2731-D2734 PolarHBondContact O-N 3.38Å; V2732-D2734 VanDerWaalsContact C-N 3.35Å; D2734-K2738 WeakPolarHBondContact O-CB 3.44Å; D2734-K2738 VanDerWaalsContact O-CD 3.22Å; D2734-K2738 WeakPolarHBondContact O-CD 3.23Å; D2734-K2738 WeakPolarHBondContact O-CE 3.36Å; D2734-K2738 WeakPolarHBondContact O-CG 3.38Å; D2734-K2738 PolarHBondContact O-N 3.14Å; D2734-K2738 VanDerWaalsContact O-N 3.16Å; D2734-K2738 IonicContact OD1-NZ 2.59Å; D2734-K2738 WeakPolarHBondContact OD2-CE 3.31Å; D2734-K2738 IonicContact OD2-NZ 3.19Å; D2734-K2738 PolarHBondContact OD2-NZ 2.94Å |
| 2735 | Y | 90.3 | Very high | 80.8 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -51.1 | 175.8 | 174.5 | -96.8 | 0 | 0 | 0 | 111.8 | S2701 G2704 P2705 V2708 K2731 V2732 I2733 E2737 K2738 Y2739 | S2701-Y2735 WeakPolarHBondContact O-CE2 3.48Å; S2701-Y2735 PolarHBondContact O-OH 3.49Å; S2701-Y2735 VanDerWaalsContact O-OH 3.11Å; S2701-Y2735 WeakPolarHBondContact OG-CD2 3.41Å; G2704-Y2735 VanDerWaalsContact C-OH 3.31Å; G2704-Y2735 VanDerWaalsContact CA-OH 3.31Å; G2704-Y2735 WeakPolarHBondContact CA-OH 3.41Å; P2705-Y2735 HydrophobicContact CB-CE1 4.47Å; P2705-Y2735 WeakPolarHBondContact CD-OH 3.34Å; V2708-Y2735 HydrophobicContact CB-CE1 4.32Å; V2708-Y2735 HydrophobicContact CG1-CD1 4.29Å; V2708-Y2735 HydrophobicContact CG1-CE1 4.41Å; V2708-Y2735 HydrophobicContact CG2-CD1 4.14Å; V2708-Y2735 HydrophobicContact CG2-CE1 3.79Å; V2708-Y2735 HydrophobicContact CG2-CE2 4.26Å; K2731-Y2735 WeakPolarHBondContact O-CB 3.41Å; K2731-Y2735 PolarHBondContact O-N 3.15Å; V2732-Y2735 PolarHBondContact O-N 3.16Å; I2733-Y2735 VanDerWaalsContact C-N 3.28Å; I2733-Y2735 PolarHBondContact O-N 3Å; Y2735-E2737 PolarHBondContact O-N 2.84Å; Y2735-K2738 PolarHBondContact O-N 3.15Å; Y2735-Y2739 WeakPolarHBondContact O-CB 3.46Å; Y2735-Y2739 PolarHBondContact O-N 3.12Å |
| 2736 | F | 87.5 | Confident | 78.1 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 8% | 0.083 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.8 | -28.5 | -177 | -76 | -59.3 | 0 | 0 | 0 | 113.3 | P2705 V2708 V2732 I2733 Y2739 A2740 F3004 I3010 | P2705-F2736 HydrophobicContact CB-CE1 4.01Å; V2708-F2736 HydrophobicContact CB-CZ 4.2Å; V2708-F2736 HydrophobicContact CG1-CE2 3.99Å; V2708-F2736 HydrophobicContact CG1-CZ 4.01Å; V2732-F2736 HydrophobicContact CG1-CD2 3.74Å; V2732-F2736 HydrophobicContact CG1-CE2 3.71Å; V2732-F2736 VanDerWaalsContact O-CD2 3.26Å; V2732-F2736 WeakPolarHBondContact O-CD2 3.4Å; V2732-F2736 PolarHBondContact O-N 3.27Å; V2732-F2736 VanDerWaalsContact O-N 3.13Å; I2733-F2736 PolarHBondContact O-N 3.18Å; I2733-F2736 VanDerWaalsContact O-N 3.16Å; F2736-Y2739 PolarHBondContact O-N 3.29Å; F2736-A2740 VanDerWaalsContact O-CB 3.31Å; F2736-A2740 WeakPolarHBondContact O-CB 3.36Å; F2736-A2740 PolarHBondContact O-N 3.35Å; F2736-F3004 HydrophobicContact CE1-CE1 4.01Å; F2736-F3004 AromaticContact CZ-CE1 3.94Å; F2736-F3004 HydrophobicContact CZ-CE1 3.94Å; F2736-I3010 HydrophobicContact CB-CD1 3.92Å; F2736-I3010 HydrophobicContact CD2-CD1 3.9Å; F2736-I3010 HydrophobicContact CD2-CG1 4.11Å; F2736-I3010 HydrophobicContact CG-CD1 4.17Å |
| 2737 | E | 86.6 | Confident | 75.2 | Confident | 89.5 Ų | 89.5 | 71.8 Ų | 71.8 | 42% | 0.418 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 170.2 | -119.4 | -149.9 | -170.3 | 0 | 0 | 111.7 | I2733 Y2735 Y2739 A2740 K2741 | I2733-E2737 HydrophobicContact CG2-CG 4.49Å; I2733-E2737 WeakPolarHBondContact O-CB 3.4Å; I2733-E2737 PolarHBondContact O-N 3.02Å; Y2735-E2737 PolarHBondContact O-N 2.84Å; E2737-Y2739 VanDerWaalsContact C-N 3.33Å; E2737-A2740 PolarHBondContact O-N 2.76Å; E2737-K2741 WeakPolarHBondContact O-CB 3.33Å; E2737-K2741 WeakPolarHBondContact O-CD 3.33Å; E2737-K2741 VanDerWaalsContact O-CG 3.31Å; E2737-K2741 WeakPolarHBondContact O-CG 3.35Å; E2737-K2741 PolarHBondContact O-N 3Å; E2737-K2741 WeakPolarHBondContact OE1-CE 3.21Å; E2737-K2741 IonicContact OE1-NZ 2.72Å; E2737-K2741 PolarHBondContact OE1-NZ 2.97Å; E2737-K2741 IonicContact OE2-NZ 3.14Å; E2737-K2741 PolarHBondContact OE2-NZ 3.04Å |
| 2738 | K | 86.1 | Confident | 72.3 | Confident | 115.5 Ų | 115.5 | 71.5 Ų | 71.5 | 50% | 0.502 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 175.5 | -68.7 | 162.5 | -161.9 | 164.7 | 0 | 111.2 | D2734 Y2735 A2740 K2741 T2742 | D2734-K2738 WeakPolarHBondContact O-CB 3.44Å; D2734-K2738 VanDerWaalsContact O-CD 3.22Å; D2734-K2738 WeakPolarHBondContact O-CD 3.23Å; D2734-K2738 WeakPolarHBondContact O-CE 3.36Å; D2734-K2738 WeakPolarHBondContact O-CG 3.38Å; D2734-K2738 PolarHBondContact O-N 3.14Å; D2734-K2738 VanDerWaalsContact O-N 3.16Å; D2734-K2738 IonicContact OD1-NZ 2.59Å; D2734-K2738 WeakPolarHBondContact OD2-CE 3.31Å; D2734-K2738 IonicContact OD2-NZ 3.19Å; D2734-K2738 PolarHBondContact OD2-NZ 2.94Å; Y2735-K2738 PolarHBondContact O-N 3.15Å; K2738-A2740 PolarHBondContact O-N 3.2Å; K2738-K2741 PolarHBondContact O-N 3.41Å; K2738-T2742 WeakPolarHBondContact O-CG2 3.21Å; K2738-T2742 PolarHBondContact O-N 3.36Å; K2738-T2742 VanDerWaalsContact O-N 3.15Å; K2738-T2742 PolarHBondContact O-OG1 3.11Å |
| 2739 | Y | 82.9 | Confident | 69.5 | Low | 73.5 Ų | 73.5 | 76.9 Ų | 76.9 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175 | -169.8 | -92.8 | 0 | 0 | 0 | 112.1 | P2705 Y2735 F2736 E2737 K2741 T2742 H2743 | P2705-Y2739 HydrophobicContact CB-CE2 4.49Å; P2705-Y2739 HydrophobicContact CG-CE1 4.49Å; P2705-Y2739 HydrophobicContact CG-CE2 4.12Å; Y2735-Y2739 WeakPolarHBondContact O-CB 3.46Å; Y2735-Y2739 PolarHBondContact O-N 3.12Å; F2736-Y2739 PolarHBondContact O-N 3.29Å; E2737-Y2739 VanDerWaalsContact C-N 3.33Å; Y2739-K2741 PolarHBondContact O-N 3.04Å; Y2739-T2742 PolarHBondContact O-N 3.25Å; Y2739-T2742 PolarHBondContact O-OG1 2.91Å; Y2739-H2743 AromaticContact CD1-CD2 3.75Å; Y2739-H2743 AromaticContact CD2-CD2 3.51Å; Y2739-H2743 AromaticContact CD2-CE1 3.83Å; Y2739-H2743 AromaticContact CD2-ND1 3.76Å; Y2739-H2743 AromaticContact CD2-NE2 3.66Å; Y2739-H2743 HydrophobicContact CE1-CB 4.25Å; Y2739-H2743 AromaticContact CE1-CD2 3.59Å; Y2739-H2743 AromaticContact CE2-CD2 3.62Å; Y2739-H2743 WeakPolarHBondContact CE2-CD2 3.33Å; Y2739-H2743 AromaticContact CE2-CE1 3.38Å; Y2739-H2743 WeakPolarHBondContact CE2-CE1 3.43Å; Y2739-H2743 AromaticContact CE2-CG 3.91Å; Y2739-H2743 AromaticContact CE2-ND1 3.59Å; Y2739-H2743 AromaticContact CE2-NE2 3.41Å; Y2739-H2743 VanDerWaalsContact CE2-NE2 3.26Å; Y2739-H2743 WeakPolarHBondContact CE2-NE2 3.49Å; Y2739-H2743 AromaticContact CG-CD2 3.7Å; Y2739-H2743 AromaticContact CZ-CD2 3.51Å; Y2739-H2743 AromaticContact CZ-CE1 3.95Å; Y2739-H2743 AromaticContact CZ-CG 3.84Å; Y2739-H2743 AromaticContact CZ-ND1 3.92Å; Y2739-H2743 AromaticContact CZ-NE2 3.7Å; Y2739-H2743 WeakPolarHBondContact O-CB 3.45Å; Y2739-H2743 PolarHBondContact O-CD2 2.86Å; Y2739-H2743 VanDerWaalsContact O-CD2 3.23Å; Y2739-H2743 PolarHBondContact O-N 3.03Å; Y2739-H2743 VanDerWaalsContact O-N 3.08Å; Y2739-H2743 PolarHBondContact O-ND1 3.39Å; Y2739-H2743 PolarHBondContact OH-CD2 3.27Å |
| 2740 | A | 79 | Confident | 66.8 | Low | 54 Ų | 54 | 83.3 Ų | 83.3 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2736 E2737 K2738 T2742 H2743 T2744 | F2736-A2740 VanDerWaalsContact O-CB 3.31Å; F2736-A2740 WeakPolarHBondContact O-CB 3.36Å; F2736-A2740 PolarHBondContact O-N 3.35Å; E2737-A2740 PolarHBondContact O-N 2.76Å; K2738-A2740 PolarHBondContact O-N 3.2Å; A2740-T2742 VanDerWaalsContact C-N 3.28Å; A2740-T2742 PolarHBondContact O-N 2.98Å; A2740-H2743 PolarHBondContact O-N 3.01Å; A2740-T2744 WeakPolarHBondContact O-CG2 3.41Å; A2740-T2744 PolarHBondContact O-N 3.02Å; A2740-T2744 VanDerWaalsContact O-N 3.12Å; A2740-T2744 PolarHBondContact O-OG1 3.09Å |
| 2741 | K | 78.5 | Confident | 63.9 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.4 | -24.8 | 177.3 | -70.1 | 163.9 | -171.6 | 168.9 | 0 | 113.5 | E2737 K2738 Y2739 | E2737-K2741 WeakPolarHBondContact O-CB 3.33Å; E2737-K2741 WeakPolarHBondContact O-CD 3.33Å; E2737-K2741 VanDerWaalsContact O-CG 3.31Å; E2737-K2741 WeakPolarHBondContact O-CG 3.35Å; E2737-K2741 PolarHBondContact O-N 3Å; E2737-K2741 WeakPolarHBondContact OE1-CE 3.21Å; E2737-K2741 IonicContact OE1-NZ 2.72Å; E2737-K2741 PolarHBondContact OE1-NZ 2.97Å; E2737-K2741 IonicContact OE2-NZ 3.14Å; E2737-K2741 PolarHBondContact OE2-NZ 3.04Å; K2738-K2741 PolarHBondContact O-N 3.41Å; Y2739-K2741 PolarHBondContact O-N 3.04Å |
| 2742 | T | 70.3 | Confident | 61.1 | Low | 92 Ų | 92 | 87.9 Ų | 87.9 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -98.2 | -19.1 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | K2738 Y2739 A2740 | K2738-T2742 WeakPolarHBondContact O-CG2 3.21Å; K2738-T2742 PolarHBondContact O-N 3.36Å; K2738-T2742 VanDerWaalsContact O-N 3.15Å; K2738-T2742 PolarHBondContact O-OG1 3.11Å; Y2739-T2742 PolarHBondContact O-N 3.25Å; Y2739-T2742 PolarHBondContact O-OG1 2.91Å; A2740-T2742 VanDerWaalsContact C-N 3.28Å; A2740-T2742 PolarHBondContact O-N 2.98Å |
| 2743 | H | 59.5 | Low | 58.1 | Low | 80.5 Ų | 80.5 | 99.9 Ų | 99.9 | 37% | 0.373 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -115.2 | 5 | -174.6 | -69.6 | -4.2 | 0 | 0 | 0 | 114.8 | Y2068 Y2739 A2740 P2745 | Y2068-H2743 AromaticContact CE1-CE1 3.27Å; Y2068-H2743 WeakPolarHBondContact CE1-CE1 3.31Å; Y2068-H2743 AromaticContact CE1-ND1 3.79Å; Y2068-H2743 AromaticContact CZ-CE1 3.49Å; Y2068-H2743 VanDerWaalsContact CZ-CE1 3.49Å; Y2068-H2743 AromaticContact CZ-ND1 3.9Å; Y2068-H2743 PolarHBondContact OH-CE1 2.87Å; Y2068-H2743 PolarHBondContact OH-ND1 2.74Å; Y2739-H2743 AromaticContact CD1-CD2 3.75Å; Y2739-H2743 AromaticContact CD2-CD2 3.51Å; Y2739-H2743 AromaticContact CD2-CE1 3.83Å; Y2739-H2743 AromaticContact CD2-ND1 3.76Å; Y2739-H2743 AromaticContact CD2-NE2 3.66Å; Y2739-H2743 HydrophobicContact CE1-CB 4.25Å; Y2739-H2743 AromaticContact CE1-CD2 3.59Å; Y2739-H2743 AromaticContact CE2-CD2 3.62Å; Y2739-H2743 WeakPolarHBondContact CE2-CD2 3.33Å; Y2739-H2743 AromaticContact CE2-CE1 3.38Å; Y2739-H2743 WeakPolarHBondContact CE2-CE1 3.43Å; Y2739-H2743 AromaticContact CE2-CG 3.91Å; Y2739-H2743 AromaticContact CE2-ND1 3.59Å; Y2739-H2743 AromaticContact CE2-NE2 3.41Å; Y2739-H2743 VanDerWaalsContact CE2-NE2 3.26Å; Y2739-H2743 WeakPolarHBondContact CE2-NE2 3.49Å; Y2739-H2743 AromaticContact CG-CD2 3.7Å; Y2739-H2743 AromaticContact CZ-CD2 3.51Å; Y2739-H2743 AromaticContact CZ-CE1 3.95Å; Y2739-H2743 AromaticContact CZ-CG 3.84Å; Y2739-H2743 AromaticContact CZ-ND1 3.92Å; Y2739-H2743 AromaticContact CZ-NE2 3.7Å; Y2739-H2743 WeakPolarHBondContact O-CB 3.45Å; Y2739-H2743 PolarHBondContact O-CD2 2.86Å; Y2739-H2743 VanDerWaalsContact O-CD2 3.23Å; Y2739-H2743 PolarHBondContact O-N 3.03Å; Y2739-H2743 VanDerWaalsContact O-N 3.08Å; Y2739-H2743 PolarHBondContact O-ND1 3.39Å; Y2739-H2743 PolarHBondContact OH-CD2 3.27Å; A2740-H2743 PolarHBondContact O-N 3.01Å; H2743-P2745 WeakPolarHBondContact O-CD 3.42Å |
| 2744 | T | 42.6 | Very low | 55.3 | Low | 100.5 Ų | 100.5 | 101 Ų | 101 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | trans | -68.3 | 118.7 | 168.2 | 31 | 0 | 0 | 0 | 0 | 110.2 | A2740 S2746 | A2740-T2744 WeakPolarHBondContact O-CG2 3.41Å; A2740-T2744 PolarHBondContact O-N 3.02Å; A2740-T2744 VanDerWaalsContact O-N 3.12Å; A2740-T2744 PolarHBondContact O-OG1 3.09Å; T2744-S2746 PolarHBondContact O-N 3.21Å | ||
| 2745 | P | 38.3 | Very low | 52.4 | Low | 110.5 Ų | 110.5 | 100.5 Ų | 100.5 | 72% | 0.718 | 59% | 0.594 | S | S | * | * | trans | -67.2 | 127.2 | 176.5 | 27.7 | -33.4 | 0 | 0 | 0 | 109.9 | H2743 C2747 | H2743-P2745 WeakPolarHBondContact O-CD 3.42Å; P2745-C2747 VanDerWaalsContact C-N 3.28Å; P2745-C2747 PolarHBondContact O-N 3.23Å | ||
| 2746 | S | 30.7 | Very low | 49.4 | Very low | 119 Ų | 119 | 107.4 Ų | 107.4 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | -73.3 | 81.2 | 177 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | T2744 S2748 | T2744-S2746 PolarHBondContact O-N 3.21Å; S2746-S2748 PolarHBondContact O-N 3.04Å | ||
| 2747 | C | 26.5 | Very low | 46.7 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 74% | 0.736 | 66% | 0.661 | S | S | * | * | trans | -64.6 | 80.2 | 168.2 | -69.3 | 0 | 0 | 0 | 0 | 110.2 | P2745 V2749 | P2745-C2747 VanDerWaalsContact C-N 3.28Å; P2745-C2747 PolarHBondContact O-N 3.23Å; C2747-V2749 PolarHBondContact O-N 2.89Å | ||
| 2748 | S | 28.4 | Very low | 43.8 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | trans | -69 | 93.3 | 176.3 | -165.8 | 0 | 0 | 0 | 0 | 109.5 | S2746 N2750 | S2746-S2748 PolarHBondContact O-N 3.04Å; S2748-N2750 PolarHBondContact O-N 3.24Å; S2748-N2750 PolarHBondContact OG-OD1 3.46Å | ||
| 2749 | V | 31.9 | Very low | 41.1 | Very low | 113.5 Ų | 113.5 | 115.5 Ų | 115.5 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | trans | -72.1 | 87.6 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | C2747 N2751 | C2747-V2749 PolarHBondContact O-N 2.89Å; V2749-N2751 VanDerWaalsContact C-N 3.31Å; V2749-N2751 PolarHBondContact O-N 3.34Å | ||
| 2750 | N | 33 | Very low | 38.5 | Very low | 142 Ų | 142 | 119.4 Ų | 119.4 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | -64.9 | 94.8 | 173.6 | -75.9 | -14.8 | 0 | 0 | 0 | 109.6 | S2748 G2752 | S2748-N2750 PolarHBondContact O-N 3.24Å; S2748-N2750 PolarHBondContact OG-OD1 3.46Å; N2750-G2752 PolarHBondContact O-N 2.92Å | ||
| 2751 | N | 30.5 | Very low | 36 | Very low | 150.5 Ų | 150.5 | 124.8 Ų | 124.8 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -69 | 85.8 | 177.5 | -86.4 | -29 | 0 | 0 | 0 | 111.6 | V2749 R2753 | V2749-N2751 VanDerWaalsContact C-N 3.31Å; V2749-N2751 PolarHBondContact O-N 3.34Å; N2751-R2753 VanDerWaalsContact C-N 3.34Å; N2751-R2753 PolarHBondContact O-N 3.2Å | ||
| 2752 | G | 31.1 | Very low | 33.8 | Very low | 76.5 Ų | 76.5 | 123.9 Ų | 123.9 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | trans | -66.6 | 103.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N2750 G2754 | N2750-G2752 PolarHBondContact O-N 2.92Å; G2752-G2754 PolarHBondContact O-N 2.93Å | ||
| 2753 | R | 27.4 | Very low | 31.6 | Very low | 253.5 Ų | 253.5 | 127.6 Ų | 127.6 | 96% | 0.957 | 74% | 0.738 | S | S | * | * | trans | -58.7 | 113.7 | 177.9 | -174.9 | -172.3 | -171.5 | -155.4 | 5.5 | 113.8 | N2751 | N2751-R2753 VanDerWaalsContact C-N 3.34Å; N2751-R2753 PolarHBondContact O-N 3.2Å | ||
| 2754 | G | 30.3 | Very low | 30.3 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 143.4 | 112.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116.4 | G2752 | G2752-G2754 PolarHBondContact O-N 2.93Š| ||
| 2755 | G | 29.4 | Very low | 29.4 | Very low | 68.5 Ų | 68.5 | 131.4 Ų | 131.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 134 | 147.9 | 69.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2756 | L | 27.7 | Very low | 29 | Very low | 181.5 Ų | 181.5 | 132.3 Ų | 132.3 | 95% | 0.95 | 76% | 0.759 | S | S | * | * | trans | 65.2 | 137.3 | 159.5 | -59.6 | 163.3 | 0 | 0 | 0 | 117.3 | ||||
| 2757 | A | 30.1 | Very low | 28.9 | Very low | 84.5 Ų | 84.5 | 131.6 Ų | 131.6 | 70% | 0.698 | 75% | 0.754 | S | S | * | * | cis | -160.4 | 157.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2758 | H | 26.4 | Very low | 29 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | 59.2 | 92.7 | 138.6 | -164.3 | -73.7 | 0 | 0 | 0 | 120.8 | ||||
| 2759 | M | 29.2 | Very low | 29.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -167.9 | 142 | 119.3 | -105.5 | -62.3 | -179.6 | 0 | 0 | 113.9 | |||||
| 2760 | Q | 28.6 | Very low | 29 | Very low | 155.5 Ų | 155.5 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -8 | 129.1 | 177.8 | -109 | 60.6 | 4.5 | 0 | 0 | 123.9 | ||||
| 2761 | Q | 25.8 | Very low | 28.9 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -54 | 176.1 | 145.4 | -88.3 | 172.3 | -36.5 | 0 | 0 | 114.3 | ||||
| 2762 | P | 31.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -127 | 158.8 | 26.4 | 17.3 | 9.7 | 0 | 0 | 0 | 116.4 | ||||
| 2763 | Y | 25.5 | Very low | 28.7 | Very low | 168.5 Ų | 168.5 | 135.3 Ų | 135.3 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | 65.2 | 128.4 | 80.8 | -125.8 | -93.9 | 0 | 0 | 0 | 112.7 | D2765 | Y2763-D2765 HydrophobicContact CD1-CB 4.32Å; Y2763-D2765 HydrophobicContact CE1-CB 3.77Å; Y2763-D2765 VanDerWaalsContact CE1-OD2 3.27Å; Y2763-D2765 WeakPolarHBondContact CE1-OD2 3.42Å; Y2763-D2765 VanDerWaalsContact CZ-OD2 3.22Å; Y2763-D2765 PolarHBondContact OH-OD2 2.8Å | |||
| 2764 | I | 31.4 | Very low | 28.9 | Very low | 157.5 Ų | 157.5 | 128.3 Ų | 128.3 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | -159.1 | 160.5 | 64.5 | -59.8 | 174.5 | 0 | 0 | 0 | 110.5 | |||||
| 2765 | D | 24.2 | Very low | 28.8 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 56% | 0.556 | 75% | 0.754 | S | S | * | * | -120.1 | 171.8 | -123.1 | -115.6 | -39.6 | 0 | 0 | 0 | 111.5 | Y2763 | Y2763-D2765 HydrophobicContact CD1-CB 4.32Å; Y2763-D2765 HydrophobicContact CE1-CB 3.77Å; Y2763-D2765 VanDerWaalsContact CE1-OD2 3.27Å; Y2763-D2765 WeakPolarHBondContact CE1-OD2 3.42Å; Y2763-D2765 VanDerWaalsContact CZ-OD2 3.22Å; Y2763-D2765 PolarHBondContact OH-OD2 2.8Å | |||
| 2766 | V | 30.2 | Very low | 28.9 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | 123.4 | 122.4 | 144.5 | 174 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2767 | S | 28 | Very low | 28.9 | Very low | 104.5 Ų | 104.5 | 133 Ų | 133 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | 14.3 | 146.6 | 123.1 | -53.4 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 2768 | S | 27.9 | Very low | 28.9 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | 125.6 | 135.4 | 71.3 | -103.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 2769 | P | 32.4 | Very low | 29.1 | Very low | 120.5 Ų | 120.5 | 135.8 Ų | 135.8 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -96.4 | 157.4 | 167.7 | 37.7 | -32.8 | 0 | 0 | 0 | 113.2 | ||||
| 2770 | N | 28.5 | Very low | 29 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -163.4 | 156.7 | 153.7 | -125.8 | -28.3 | 0 | 0 | 0 | 112.9 | ||||
| 2771 | A | 31.1 | Very low | 29.1 | Very low | 88.5 Ų | 88.5 | 133.2 Ų | 133.2 | 73% | 0.731 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 119 | 168.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2772 | V | 29.4 | Very low | 29.1 | Very low | 128.5 Ų | 128.5 | 131.6 Ų | 131.6 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | 108.2 | 133.1 | 50.4 | 155.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2773 | I | 28.6 | Very low | 28.9 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 111.6 | 129.2 | 132.1 | -75.3 | 160.6 | 0 | 0 | 0 | 116.7 | ||||
| 2774 | S | 30 | Very low | 29 | Very low | 107.5 Ų | 107.5 | 131.7 Ų | 131.7 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -84.8 | 143.9 | 143.4 | -61.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2775 | D | 29.2 | Very low | 29 | Very low | 137.5 Ų | 137.5 | 128 Ų | 128 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | trans | 3 | 123.4 | 163.5 | -59.2 | -56.5 | 0 | 0 | 0 | 118.3 | ||||
| 2776 | N | 31.4 | Very low | 29.2 | Very low | 141.5 Ų | 141.5 | 129.8 Ų | 129.8 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 138.9 | 131.5 | 122.1 | -83.1 | -51.5 | 0 | 0 | 0 | 116.7 | |||||
| 2777 | N | 28.3 | Very low | 29.2 | Very low | 146.5 Ų | 146.5 | 130.4 Ų | 130.4 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | 7.7 | 139.4 | 156.3 | -62.3 | -50.7 | 0 | 0 | 0 | 116.4 | ||||
| 2778 | D | 30 | Very low | 29.2 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | 140.4 | 135.6 | 129.3 | -106.4 | -26.5 | 0 | 0 | 0 | 117.2 | |||||
| 2779 | K | 30.3 | Very low | 29.2 | Very low | 173.5 Ų | 173.5 | 131.9 Ų | 131.9 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -0.1 | 113.5 | 157.9 | -56 | 135.3 | -170.3 | 141.3 | 0 | 115.8 | ||||
| 2780 | N | 26.9 | Very low | 29 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | 166.3 | 143.8 | 124.7 | -137.8 | -17.2 | 0 | 0 | 0 | 114.1 | N2782 | N2780-N2782 PolarHBondContact O-N 3.24Š| |||
| 2781 | V | 30 | Very low | 28.9 | Very low | 113.5 Ų | 113.5 | 134.5 Ų | 134.5 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | trans | -3.7 | 86.9 | 177.3 | -172.3 | 0 | 0 | 0 | 0 | 115.2 | F2783 | V2781-F2783 HydrophobicContact CG1-CD2 4.04Å; V2781-F2783 PolarHBondContact O-N 3.01Å | ||
| 2782 | N | 27.4 | Very low | 28.7 | Very low | 132.5 Ų | 132.5 | 137.2 Ų | 137.2 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | trans | 1.7 | 132.4 | 147.5 | -65.6 | -30.7 | 0 | 0 | 0 | 118.7 | N2780 | N2780-N2782 PolarHBondContact O-N 3.24Š| ||
| 2783 | F | 26.9 | Very low | 28.6 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | trans | 146.4 | 83.6 | 171.9 | -85.8 | -76.2 | 0 | 0 | 0 | 115.1 | V2781 | V2781-F2783 HydrophobicContact CG1-CD2 4.04Å; V2781-F2783 PolarHBondContact O-N 3.01Å | ||
| 2784 | C | 27.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | 143.4 | 106.9 | 98.2 | -153.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 2785 | S | 30.6 | Very low | 28.3 | Very low | 81.5 Ų | 81.5 | 139.3 Ų | 139.3 | 57% | 0.57 | 74% | 0.739 | S | S | * | * | -145.5 | 58.6 | 111.6 | -55.7 | 0 | 0 | 0 | 0 | 117.1 | Q2789 | S2785-Q2789 WeakPolarHBondContact O-CG 3.46Š| |||
| 2786 | N | 28.7 | Very low | 28.3 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -19.8 | 76.6 | 155 | -70.6 | -19.2 | 0 | 0 | 0 | 119 | ||||
| 2787 | I | 28.7 | Very low | 28.2 | Very low | 142.5 Ų | 142.5 | 140.5 Ų | 140.5 | 73% | 0.731 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | -113.9 | 53.3 | 94 | -64.4 | 175.3 | 0 | 0 | 0 | 111.8 | |||
| 2788 | S | 28 | Very low | 28.3 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 57.2 | 171.3 | -67 | 0 | 0 | 0 | 0 | 113.4 | N2790 | S2788-N2790 PolarHBondContact O-N 3.32Š|
| 2789 | Q | 29.3 | Very low | 28.2 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -8.2 | 67.3 | 173.6 | -68.8 | -167.1 | -3.6 | 0 | 0 | 118.4 | S2785 | S2785-Q2789 WeakPolarHBondContact O-CG 3.46Š|
| 2790 | N | 27.9 | Very low | 28.1 | Very low | 137.5 Ų | 137.5 | 139.6 Ų | 139.6 | 74% | 0.735 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -10.8 | 55.3 | 165.9 | -68.5 | -27.5 | 0 | 0 | 0 | 117.5 | S2788 | S2788-N2790 PolarHBondContact O-N 3.32Š|
| 2791 | F | 26.8 | Very low | 28 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 89% | 0.886 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -126.7 | 66.9 | 147.1 | -102 | -83.5 | 0 | 0 | 0 | 112.3 | ||
| 2792 | L | 27.3 | Very low | 27.9 | Very low | 145.5 Ų | 145.5 | 143.3 Ų | 143.3 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -115.2 | 97.7 | -175.9 | -160.3 | 81.5 | 0 | 0 | 0 | 110.8 | ||||
| 2793 | N | 26 | Very low | 27.7 | Very low | 138.5 Ų | 138.5 | 142.4 Ų | 142.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 135.7 | 78.2 | 172.9 | -102.6 | -12.5 | 0 | 0 | 0 | 116.5 | ||
| 2794 | Q | 27.5 | Very low | 27.6 | Very low | 186.5 Ų | 186.5 | 139.6 Ų | 139.6 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | trans | -160.8 | 138.4 | 137.2 | -113 | 153.3 | 101.3 | 0 | 0 | 113 | ||||
| 2795 | S | 25.6 | Very low | 27.4 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 61.4 | 109.6 | 157.7 | 60.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2796 | H | 29 | Very low | 27.1 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | 145.1 | 75.7 | 158.8 | -88.4 | -43.3 | 0 | 0 | 0 | 117.7 | ||||
| 2797 | T | 29.6 | Very low | 26.9 | Very low | 124.5 Ų | 124.5 | 140.5 Ų | 140.5 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -60.7 | 137.6 | 134.8 | 55 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2798 | P | 29.9 | Very low | 26.7 | Very low | 104.5 Ų | 104.5 | 139 Ų | 139 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | -119.3 | 173.9 | -105.3 | 39.3 | -29.9 | 0 | 0 | 0 | 114.5 | |||||
| 2799 | N | 27.2 | Very low | 26.7 | Very low | 142.5 Ų | 142.5 | 141 Ų | 141 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 74.1 | 127.2 | 159.5 | -56 | -27.9 | 0 | 0 | 0 | 119.7 | ||||
| 2800 | Q | 28.8 | Very low | 26.5 | Very low | 176.5 Ų | 176.5 | 139.7 Ų | 139.7 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 125 | 139.5 | 135.9 | -68.6 | -55.8 | -17.2 | 0 | 0 | 113.9 | ||||
| 2801 | P | 25.6 | Very low | 26.6 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | trans | -93 | 152.2 | 176 | 36 | -31.4 | 0 | 0 | 0 | 112.4 | ||||
| 2802 | W | 27.3 | Very low | 26.6 | Very low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -177.7 | 118.7 | 131.6 | -91.7 | 8.6 | 0 | 0 | 0 | 112.7 | ||||
| 2803 | T | 23.8 | Very low | 26.8 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 36.6 | 118.4 | 141.8 | 58.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2804 | T | 23.6 | Very low | 26.9 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 56.6 | 110.9 | 134.5 | 60.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2805 | S | 24.9 | Very low | 27 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 169.9 | 129.6 | 97.9 | -74.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 2806 | I | 24.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 54.7 | 117.4 | 131.8 | -55.8 | 175.8 | 0 | 0 | 0 | 120.8 | ||||
| 2807 | A | 23.9 | Very low | 27.2 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 76 | 122.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2808 | S | 23.7 | Very low | 27.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 54.3 | 127.3 | 134.8 | 64.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2809 | V | 28.1 | Very low | 27.2 | Very low | 138 Ų | 138 | 135 Ų | 135 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | -164.9 | 140.9 | 116.2 | 138 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 2810 | T | 25.2 | Very low | 27.3 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -111.2 | 149.2 | 167.7 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2811 | P | 30.2 | Very low | 27.4 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -113 | 133.7 | 160.3 | 33.9 | -24.4 | 0 | 0 | 0 | 111.9 | ||||
| 2812 | V | 26.1 | Very low | 27.7 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -113.8 | 142.2 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2813 | S | 32.2 | Very low | 27.9 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -168.4 | 152.7 | 162.2 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2814 | N | 27.4 | Very low | 28 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -162.2 | 146.8 | -45.5 | -114.4 | -0.5 | 0 | 0 | 0 | 108.1 | ||||
| 2815 | W | 30 | Very low | 28.2 | Very low | 250 Ų | 250 | 134.4 Ų | 134.4 | 95% | 0.947 | 76% | 0.759 | S | S | * | * | trans | -99.1 | 162.8 | 174.2 | -79.6 | 66.4 | 0 | 0 | 0 | 111.6 | ||||
| 2816 | P | 31.8 | Very low | 28.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -125 | 116.3 | 150.3 | 32 | -17.6 | 0 | 0 | 0 | 113.4 | ||||
| 2817 | T | 28.3 | Very low | 28.3 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | 23.4 | 149.4 | 129.6 | 48 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 2818 | N | 27.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | -169.5 | 159.9 | 57.4 | -164.5 | 17.2 | 0 | 0 | 0 | 115.7 | |||||
| 2819 | S | 31.1 | Very low | 28.5 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | 63 | 143.1 | 159.1 | 62.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2820 | N | 28.5 | Very low | 28.7 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | cis | -158.4 | 138.8 | -10.3 | -111 | 9.5 | 0 | 0 | 0 | 110.5 | ||||
| 2821 | P | 32.4 | Very low | 28.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | trans | -111.1 | 159.1 | 167.2 | 38.9 | -30.7 | 0 | 0 | 0 | 113 | ||||
| 2822 | Y | 31.4 | Very low | 28.5 | Very low | 214 Ų | 214 | 139.9 Ų | 139.9 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -173 | 150.4 | 150.7 | -94.8 | -61.5 | 0 | 0 | 0 | 111.8 | ||||
| 2823 | D | 30.9 | Very low | 28.4 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 62.7 | 145.1 | 148 | -67.7 | 8.7 | 0 | 0 | 0 | 122.4 | ||||
| 2824 | L | 26.3 | Very low | 28.4 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | cis | -166.9 | 153.5 | -23.6 | -149.6 | 63.5 | 0 | 0 | 0 | 111.6 | ||||
| 2825 | H | 27.4 | Very low | 28.6 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 61.7 | 128.6 | 156.6 | -81.7 | -58.8 | 0 | 0 | 0 | 125 | ||||
| 2826 | D | 25.9 | Very low | 28.5 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | 97.6 | 116.3 | 126.8 | -72.9 | 7.3 | 0 | 0 | 0 | 126.4 | |||||
| 2827 | V | 26.3 | Very low | 28.9 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | 84.9 | 100.1 | 126.6 | 175.8 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 2828 | V | 26.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 81.4 | 142.8 | 135.3 | 172.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2829 | H | 25 | Very low | 29.3 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | -66.8 | 179.3 | 173.6 | -71.2 | -86.3 | 0 | 0 | 0 | 114.1 | ||||
| 2830 | P | 32.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | cis | -138.3 | 177.1 | 3.8 | 38.9 | -18.8 | 0 | 0 | 0 | 117.8 | ||||
| 2831 | L | 23.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 62.2 | 132.1 | 143.3 | -77.6 | 166.2 | 0 | 0 | 0 | 124 | ||||
| 2832 | I | 25.4 | Very low | 29.4 | Very low | 146 Ų | 146 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 71.2 | 112 | 148.8 | -56.5 | 157.4 | 0 | 0 | 0 | 119.5 | ||||
| 2833 | S | 25 | Very low | 29.1 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | 175 | 159.5 | 123.6 | -79.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 2834 | L | 31.8 | Very low | 28.8 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -90.4 | 161.6 | 169.5 | -74.8 | 73.2 | 0 | 0 | 0 | 111.3 | F2836 | L2834-F2836 HydrophobicContact CD2-CD2 4.47Å; L2834-F2836 HydrophobicContact CD2-CE2 4.43Å | ||
| 2835 | P | 31.7 | Very low | 28.8 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -99.8 | 119.9 | 156.4 | 33.9 | -25.9 | 0 | 0 | 0 | 112.7 | ||||
| 2836 | F | 28.4 | Very low | 28.7 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -123.8 | 138.7 | 160.5 | -102.3 | -81.4 | 0 | 0 | 0 | 108 | L2834 | L2834-F2836 HydrophobicContact CD2-CD2 4.47Å; L2834-F2836 HydrophobicContact CD2-CE2 4.43Å | ||
| 2837 | P | 41 | Very low | 28.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -81.7 | 132.1 | 151.7 | 32.9 | -28.5 | 0 | 0 | 0 | 108.4 | ||||
| 2838 | H | 31.1 | Very low | 28.6 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | cis | 61.5 | 127.4 | 46.2 | -110.4 | -78.7 | 0 | 0 | 0 | 112.4 | ||||
| 2839 | S | 32.9 | Very low | 28.6 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | cis | -150 | 172.1 | 18.2 | -50.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2840 | D | 34.8 | Very low | 28.6 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | 94.7 | 147.9 | 142.1 | -64.8 | -22.1 | 0 | 0 | 0 | 123.3 | ||||
| 2841 | P | 33.3 | Very low | 28.3 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | trans | -139 | 173.7 | -147.6 | 42 | -22 | 0 | 0 | 0 | 117.8 | ||||
| 2842 | N | 25.4 | Very low | 28.5 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | 70.2 | 162.6 | 156.4 | -67.6 | -31.8 | 0 | 0 | 0 | 119.9 | ||||
| 2843 | N | 25.4 | Very low | 28.6 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | 76.6 | 111.8 | 167.7 | -88 | -3.9 | 0 | 0 | 0 | 121.3 | ||||
| 2844 | I | 25.2 | Very low | 28.9 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 67% | 0.672 | 70% | 0.697 | S | S | * | * | 84.2 | 105.6 | 126.9 | -64.4 | 170.1 | 0 | 0 | 0 | 118.2 | |||||
| 2845 | N | 24.3 | Very low | 28.9 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | 69.9 | 126.3 | 141.7 | -66.2 | -1.9 | 0 | 0 | 0 | 122.2 | ||||
| 2846 | S | 26 | Very low | 29 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | 85.7 | 140.9 | 127.8 | 72.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2847 | T | 25.9 | Very low | 29 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | cis | -166.6 | 126.4 | -9.9 | -104.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2848 | F | 25.2 | Very low | 28.5 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | 59 | 173 | 148.2 | -71.2 | -124.1 | 0 | 0 | 0 | 121.6 | ||||
| 2849 | N | 25.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 58% | 0.583 | 70% | 0.697 | S | S | * | * | 172.3 | 154.1 | -59.9 | -107.3 | -26.6 | 0 | 0 | 0 | 113 | |||||
| 2850 | Y | 25.1 | Very low | 28.9 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | 65.1 | 154.8 | 143.9 | -69.3 | -34.2 | 0 | 0 | 0 | 121.9 | ||||
| 2851 | H | 26.3 | Very low | 28.7 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 40% | 0.398 | 70% | 0.701 | S | S | . | * | cis | -164.8 | -173.1 | -27.8 | -142.8 | -175.8 | 0 | 0 | 0 | 112.9 | S2493 N2494 S2495 | S2493-H2851 PolarHBondContact O-ND1 2.91Å; N2494-H2851 VanDerWaalsContact C-C 3.5Å; N2494-H2851 CarbonylContact C-O 3.54Å; S2495-H2851 CarbonylContact C-O 3.6Å; S2495-H2851 WeakPolarHBondContact CA-O 3.36Å; S2495-H2851 PolarHBondContact N-O 2.8Å; S2495-H2851 VanDerWaalsContact N-O 3.1Å | ||
| 2852 | S | 29.2 | Very low | 28.5 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 48% | 0.483 | 71% | 0.71 | S | S | . | * | trans | -71.4 | -103.6 | -158.7 | -32.7 | 0 | 0 | 0 | 0 | 122.4 | S2495 S2496 | S2495-S2852 CarbonylContact C-O 3.58Å; S2495-S2852 WeakPolarHBondContact CA-O 3.49Å; S2495-S2852 PolarHBondContact N-O 3.37Å; S2496-S2852 PolarHBondContact N-O 3.42Å | ||
| 2853 | F | 26.3 | Very low | 28.6 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 57% | 0.57 | 71% | 0.71 | S | S | * | * | trans | 114.8 | 75.3 | -170.9 | -100.5 | -48.2 | 0 | 0 | 0 | 119.1 | N2494 S2495 | N2494-F2853 HydrophobicContact CB-CB 3.85Å; N2494-F2853 HydrophobicContact CB-CD1 3.59Å; N2494-F2853 HydrophobicContact CB-CD2 3.41Å; N2494-F2853 VanDerWaalsContact CB-CD2 3.41Å; N2494-F2853 HydrophobicContact CB-CE1 3.75Å; N2494-F2853 HydrophobicContact CB-CE2 3.56Å; N2494-F2853 HydrophobicContact CB-CG 3.36Å; N2494-F2853 HydrophobicContact CB-CZ 3.7Å; N2494-F2853 VanDerWaalsContact CB-N 3.3Å; N2494-F2853 VanDerWaalsContact CG-CD1 3.5Å; N2494-F2853 WeakPolarHBondContact ND2-CD1 3.44Å; N2494-F2853 WeakPolarHBondContact ND2-CE1 3.47Å; N2494-F2853 WeakPolarHBondContact OD1-CA 3.34Å; N2494-F2853 PolarHBondContact OD1-N 2.67Å; S2495-F2853 VanDerWaalsContact OG-CD2 3.25Å; S2495-F2853 WeakPolarHBondContact OG-CD2 3.31Å; S2495-F2853 WeakPolarHBondContact OG-CE2 3.3Å | ||
| 2854 | I | 32.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | trans | -118.6 | 140.5 | 158.6 | -55.6 | 170.4 | 0 | 0 | 0 | 109.5 | N2494 | N2494-I2854 PolarHBondContact ND2-O 2.87Å; N2494-I2854 VanDerWaalsContact ND2-O 3.11Å; N2494-I2854 PolarHBondContact OD1-N 2.79Å | ||
| 2855 | P | 31.5 | Very low | 29 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 62% | 0.623 | 70% | 0.7 | S | S | * | * | trans | -146 | 176.7 | 143.1 | 39.8 | -24.9 | 0 | 0 | 0 | 113.9 | ||||
| 2856 | P | 32.8 | Very low | 29 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | cis | -134.4 | 178.8 | -45.3 | 39.7 | -24.1 | 0 | 0 | 0 | 113.7 | ||||
| 2857 | S | 29.1 | Very low | 29 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | -112 | 163.9 | 179.5 | -48.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2858 | I | 31.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 129 Ų | 129 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | -132.9 | 150.1 | 164.7 | -62.7 | -177 | 0 | 0 | 0 | 109.6 | ||||
| 2859 | L | 29.5 | Very low | 29.2 | Very low | 156 Ų | 156 | 126 Ų | 126 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | trans | -103.4 | 171.4 | -164.6 | -103.2 | 76.3 | 0 | 0 | 0 | 115.5 | ||||
| 2860 | P | 41.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | trans | -103.9 | -171.7 | -161.2 | 42.5 | -39.8 | 0 | 0 | 0 | 115.6 | ||||
| 2861 | P | 31.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | -143.5 | 133.2 | 126.9 | 35.9 | -20.8 | 0 | 0 | 0 | 117.9 | |||||
| 2862 | N | 28.2 | Very low | 29.3 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | 43 | 130.2 | 145.3 | -68.4 | -6.3 | 0 | 0 | 0 | 126.2 | ||||
| 2863 | N | 28.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 76.6 | 152.6 | 142.3 | -95.1 | -11.1 | 0 | 0 | 0 | 121.7 | ||||
| 2864 | P | 31.2 | Very low | 29.1 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | -135.7 | 178.9 | -21.2 | 39.9 | -23.4 | 0 | 0 | 0 | 115.5 | ||||
| 2865 | S | 26.4 | Very low | 28.7 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | trans | 74.3 | 148.5 | 165.7 | 79.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2866 | W | 26.1 | Very low | 28.4 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 57% | 0.572 | 75% | 0.748 | S | S | * | * | cis | -124.5 | 149.7 | 6.3 | -82.3 | 62 | 0 | 0 | 0 | 112.5 | S2214 L2215 P2216 | S2214-W2866 VanDerWaalsContact C-CZ2 3.44Å; S2214-W2866 WeakPolarHBondContact OG-CZ2 3.49Å; L2215-W2866 PolarHBondContact O-NE1 3.26Å; P2216-W2866 VanDerWaalsContact CG-CD1 3.43Å | ||
| 2867 | S | 25.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -110.8 | 136.7 | 173.2 | 44 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2868 | H | 28.7 | Very low | 28.1 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | trans | -71.2 | 155.8 | 165 | -86.5 | -116.9 | 0 | 0 | 0 | 110.7 | S2870 | H2868-S2870 PolarHBondContact O-N 3.03Å; H2868-S2870 VanDerWaalsContact O-N 3.11Å | ||
| 2869 | P | 26.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | trans | -67.6 | 107.7 | 164.9 | 29 | -32.5 | 0 | 0 | 0 | 109.2 | V2871 | P2869-V2871 PolarHBondContact O-N 3.28Š| ||
| 2870 | S | 27.7 | Very low | 27.8 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -65.4 | 96.7 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | H2868 R2872 | H2868-S2870 PolarHBondContact O-N 3.03Å; H2868-S2870 VanDerWaalsContact O-N 3.11Å; S2870-R2872 VanDerWaalsContact C-N 3.34Å; S2870-R2872 PolarHBondContact O-N 3.32Å | ||
| 2871 | V | 27.3 | Very low | 27.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -61 | 101.4 | 157.3 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | P2869 | P2869-V2871 PolarHBondContact O-N 3.28Š| ||
| 2872 | R | 25.1 | Very low | 27.1 | Very low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 71% | 0.712 | S | S | * | * | trans | -53.1 | 130.6 | 177.7 | -78.6 | -177 | 170.5 | -178.9 | -4.1 | 109 | S2870 V2874 | S2870-R2872 VanDerWaalsContact C-N 3.34Å; S2870-R2872 PolarHBondContact O-N 3.32Å; R2872-V2874 PolarHBondContact O-N 2.7Å; R2872-V2874 VanDerWaalsContact O-N 3.1Å | ||
| 2873 | P | 25.7 | Very low | 27.4 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | -61.5 | 118.1 | 163.1 | 27.3 | -31.6 | 0 | 0 | 0 | 107.2 | S2875 | P2873-S2875 VanDerWaalsContact C-N 3.27Å; P2873-S2875 PolarHBondContact O-N 2.96Å | ||
| 2874 | V | 24.8 | Very low | 27.7 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | trans | -72.6 | 96.7 | 162.3 | -179.4 | 0 | 0 | 0 | 0 | 105.2 | R2872 Y2876 | R2872-V2874 PolarHBondContact O-N 2.7Å; R2872-V2874 VanDerWaalsContact O-N 3.1Å; V2874-Y2876 HydrophobicContact CB-CD2 4.27Å; V2874-Y2876 HydrophobicContact CB-CE2 3.91Å; V2874-Y2876 HydrophobicContact CG1-CD2 3.86Å; V2874-Y2876 HydrophobicContact CG1-CE1 4.49Å; V2874-Y2876 HydrophobicContact CG1-CE2 3.42Å; V2874-Y2876 VanDerWaalsContact CG1-CE2 3.42Å; V2874-Y2876 VanDerWaalsContact O-CD2 3.3Å; V2874-Y2876 WeakPolarHBondContact O-CD2 3.33Å; V2874-Y2876 PolarHBondContact O-N 3.21Å | ||
| 2875 | S | 23.6 | Very low | 28 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | trans | -68.9 | 74.5 | -179.2 | -59 | 0 | 0 | 0 | 0 | 110.9 | P2873 | P2873-S2875 VanDerWaalsContact C-N 3.27Å; P2873-S2875 PolarHBondContact O-N 2.96Å | ||
| 2876 | Y | 26.4 | Very low | 28.7 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | trans | -58.2 | 133.5 | 161.8 | -70.8 | -78.2 | 0 | 0 | 0 | 108.3 | V2874 I2878 | V2874-Y2876 HydrophobicContact CB-CD2 4.27Å; V2874-Y2876 HydrophobicContact CB-CE2 3.91Å; V2874-Y2876 HydrophobicContact CG1-CD2 3.86Å; V2874-Y2876 HydrophobicContact CG1-CE1 4.49Å; V2874-Y2876 HydrophobicContact CG1-CE2 3.42Å; V2874-Y2876 VanDerWaalsContact CG1-CE2 3.42Å; V2874-Y2876 VanDerWaalsContact O-CD2 3.3Å; V2874-Y2876 WeakPolarHBondContact O-CD2 3.33Å; V2874-Y2876 PolarHBondContact O-N 3.21Å; Y2876-I2878 PolarHBondContact O-N 3.23Å | ||
| 2877 | P | 27.5 | Very low | 29.4 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | trans | -62.8 | 131.3 | -173.7 | 25.2 | -34 | 0 | 0 | 0 | 110.3 | L2879 | P2877-L2879 VanDerWaalsContact C-N 3.35Å; P2877-L2879 PolarHBondContact O-N 2.95Å | ||
| 2878 | I | 26.9 | Very low | 30.2 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | -61.1 | 101.1 | 164.9 | -62 | 172.3 | 0 | 0 | 0 | 106.3 | Y2876 R2880 | Y2876-I2878 PolarHBondContact O-N 3.23Å; I2878-R2880 PolarHBondContact O-N 3.03Å | ||
| 2879 | L | 27.1 | Very low | 31 | Very low | 102 Ų | 102 | 121 Ų | 121 | 53% | 0.534 | 64% | 0.636 | S | S | . | * | trans | -64.1 | 105.6 | -179.1 | -83.1 | 174 | 0 | 0 | 0 | 109 | P2877 Q2881 | P2877-L2879 VanDerWaalsContact C-N 3.35Å; P2877-L2879 PolarHBondContact O-N 2.95Å; L2879-Q2881 PolarHBondContact O-N 2.94Å | ||
| 2880 | R | 27.2 | Very low | 31.7 | Very low | 223 Ų | 223 | 119.9 Ų | 119.9 | 84% | 0.842 | 62% | 0.621 | S | S | * | * | trans | -56.7 | 134.4 | 176.9 | -93.2 | -167.3 | 165.9 | -143.8 | -4.9 | 110.4 | I2878 N2882 | I2878-R2880 PolarHBondContact O-N 3.03Å; R2880-N2882 PolarHBondContact O-N 3.24Å | ||
| 2881 | Q | 30.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -75.2 | 93 | -162.4 | -72.5 | 173.9 | 2.4 | 0 | 0 | 112.6 | L2528 L2879 | L2528-Q2881 HydrophobicContact CD1-CB 3.71Å; L2528-Q2881 HydrophobicContact CD1-CG 4.24Å; L2879-Q2881 PolarHBondContact O-N 2.94Å |
| 2882 | N | 27.5 | Very low | 33.2 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 63% | 0.631 | 57% | 0.572 | S | S | * | * | trans | -166.5 | 65.4 | 164.9 | -97.8 | -35.5 | 0 | 0 | 0 | 111.1 | Q2524 R2880 S2884 Q2887 | Q2524-N2882 PolarHBondContact NE2-OD1 3.15Å; R2880-N2882 PolarHBondContact O-N 3.24Å; N2882-S2884 PolarHBondContact O-N 3.14Å; N2882-Q2887 PolarHBondContact O-OE1 3.01Å | ||
| 2883 | L | 35.5 | Very low | 33.8 | Very low | 66 Ų | 66 | 109.6 Ų | 109.6 | 35% | 0.346 | 56% | 0.559 | S | S | . | * | trans | -88.7 | 107.2 | 179.7 | -85.3 | 77.4 | 0 | 0 | 0 | 112.1 | Q2887 | L2883-Q2887 HydrophobicContact CD2-CB 4.46Å; L2883-Q2887 HydrophobicContact CG-CB 4.12Å | ||
| 2884 | S | 35.4 | Very low | 34.3 | Very low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | trans | -76.3 | 163.3 | 161.5 | 71.5 | 0 | 0 | 0 | 0 | 111.1 | N2882 K2886 Q2887 | N2882-S2884 PolarHBondContact O-N 3.14Å; S2884-K2886 PolarHBondContact O-N 3.34Å; S2884-Q2887 PolarHBondContact O-N 3.5Å | ||
| 2885 | S | 36.8 | Very low | 34.9 | Very low | 99 Ų | 99 | 111.4 Ų | 111.4 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.8 | -19.9 | -177.7 | -168.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 2886 | K | 40.5 | Very low | 35.7 | Very low | 178 Ų | 178 | 114.5 Ų | 114.5 | 77% | 0.774 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.2 | -34.1 | 176.2 | -67.7 | -177.5 | 177.8 | 179.7 | 0 | 112.9 | S2884 H2889 E2890 | S2884-K2886 PolarHBondContact O-N 3.34Å; K2886-H2889 WeakPolarHBondContact O-CB 3.43Å; K2886-H2889 PolarHBondContact O-N 3.22Å; K2886-E2890 PolarHBondContact O-N 3.2Å |
| 2887 | Q | 40.4 | Very low | 36.2 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 38% | 0.379 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -80.3 | -18.3 | 178.2 | -77.9 | 164.4 | -53.1 | 0 | 0 | 113.1 | N2882 L2883 S2884 N2891 | N2882-Q2887 PolarHBondContact O-OE1 3.01Å; L2883-Q2887 HydrophobicContact CD2-CB 4.46Å; L2883-Q2887 HydrophobicContact CG-CB 4.12Å; S2884-Q2887 PolarHBondContact O-N 3.5Å; Q2887-N2891 WeakPolarHBondContact O-CB 3.33Å; Q2887-N2891 PolarHBondContact O-N 3.28Å; Q2887-N2891 PolarHBondContact O-ND2 2.88Å |
| 2888 | L | 43.5 | Very low | 36.3 | Very low | 44 Ų | 44 | 110.7 Ų | 110.7 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 166.5 | -164 | 157 | 0 | 0 | 0 | 109.8 | I2535 E2890 N2891 L2892 | I2535-L2888 HydrophobicContact CD1-CD1 4.4Å; L2888-E2890 PolarHBondContact O-N 3.15Å; L2888-N2891 PolarHBondContact O-N 2.66Å; L2888-L2892 HydrophobicContact CD2-CD1 3.66Å; L2888-L2892 HydrophobicContact CD2-CG 4.1Å; L2888-L2892 WeakPolarHBondContact O-CG 3.33Å; L2888-L2892 PolarHBondContact O-N 3.28Å |
| 2889 | H | 44.3 | Very low | 36.3 | Very low | 110 Ų | 110 | 109.6 Ų | 109.6 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 172 | -176.2 | 94.7 | 0 | 0 | 0 | 112 | L2706 K2886 L2892 Y2893 | L2706-H2889 HydrophobicContact CD1-CB 4.43Å; K2886-H2889 WeakPolarHBondContact O-CB 3.43Å; K2886-H2889 PolarHBondContact O-N 3.22Å; H2889-L2892 PolarHBondContact O-N 2.92Å; H2889-Y2893 WeakPolarHBondContact O-CB 3.46Å; H2889-Y2893 PolarHBondContact O-N 3.1Å |
| 2890 | E | 41.9 | Very low | 36.6 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.5 | -165 | -176.8 | 171.6 | 0 | 0 | 112.7 | K2886 L2888 Y2893 R2894 | K2886-E2890 PolarHBondContact O-N 3.2Å; L2888-E2890 PolarHBondContact O-N 3.15Å; E2890-Y2893 CarbonylContact O-C 3.59Å; E2890-Y2893 PolarHBondContact O-N 3.32Å; E2890-R2894 WeakPolarHBondContact O-CB 3.44Å; E2890-R2894 VanDerWaalsContact O-CG 3.31Å; E2890-R2894 WeakPolarHBondContact O-CG 3.37Å; E2890-R2894 PolarHBondContact O-N 3.3Å |
| 2891 | N | 39.5 | Very low | 36.6 | Very low | 55 Ų | 55 | 107 Ų | 107 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.4 | -81.7 | -66.8 | 0 | 0 | 0 | 112.5 | Q2887 L2888 Y2893 R2894 F2895 | Q2887-N2891 WeakPolarHBondContact O-CB 3.33Å; Q2887-N2891 PolarHBondContact O-N 3.28Å; Q2887-N2891 PolarHBondContact O-ND2 2.88Å; L2888-N2891 PolarHBondContact O-N 2.66Å; N2891-Y2893 VanDerWaalsContact C-N 3.29Å; N2891-Y2893 PolarHBondContact O-N 3.1Å; N2891-R2894 PolarHBondContact O-N 3.49Å; N2891-F2895 PolarHBondContact O-N 3.06Å |
| 2892 | L | 45.9 | Very low | 36.5 | Very low | 53 Ų | 53 | 111.5 Ų | 111.5 | 28% | 0.277 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 170.7 | -70.8 | 177.5 | 0 | 0 | 0 | 111.1 | L2888 H2889 F2895 K2896 | L2888-L2892 HydrophobicContact CD2-CD1 3.66Å; L2888-L2892 HydrophobicContact CD2-CG 4.1Å; L2888-L2892 WeakPolarHBondContact O-CG 3.33Å; L2888-L2892 PolarHBondContact O-N 3.28Å; H2889-L2892 PolarHBondContact O-N 2.92Å; L2892-F2895 PolarHBondContact O-N 3.25Å; L2892-K2896 WeakPolarHBondContact O-CB 3.4Å; L2892-K2896 PolarHBondContact O-N 3.38Å |
| 2893 | Y | 39.7 | Very low | 36.4 | Very low | 142 Ų | 142 | 112.9 Ų | 112.9 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -38.4 | 177.3 | -164.1 | -118 | 0 | 0 | 0 | 112.6 | H2889 E2890 N2891 K2896 Q2897 | H2889-Y2893 WeakPolarHBondContact O-CB 3.46Å; H2889-Y2893 PolarHBondContact O-N 3.1Å; E2890-Y2893 CarbonylContact O-C 3.59Å; E2890-Y2893 PolarHBondContact O-N 3.32Å; N2891-Y2893 VanDerWaalsContact C-N 3.29Å; N2891-Y2893 PolarHBondContact O-N 3.1Å; Y2893-K2896 CarbonylContact O-C 3.58Å; Y2893-K2896 WeakPolarHBondContact O-CB 3.23Å; Y2893-K2896 PolarHBondContact O-N 3.05Å; Y2893-Q2897 WeakPolarHBondContact O-CG 3.34Å; Y2893-Q2897 PolarHBondContact O-N 2.87Å |
| 2894 | R | 35.6 | Very low | 36 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 171 | -72.4 | -72.9 | -172 | 166.8 | 4.3 | 111.9 | E2890 N2891 K2896 Q2897 M2898 | E2890-R2894 WeakPolarHBondContact O-CB 3.44Å; E2890-R2894 VanDerWaalsContact O-CG 3.31Å; E2890-R2894 WeakPolarHBondContact O-CG 3.37Å; E2890-R2894 PolarHBondContact O-N 3.3Å; N2891-R2894 PolarHBondContact O-N 3.49Å; R2894-K2896 VanDerWaalsContact C-N 3.31Å; R2894-K2896 PolarHBondContact O-N 3.37Å; R2894-Q2897 PolarHBondContact O-N 3.27Å; R2894-M2898 WeakPolarHBondContact O-CG 3.29Å; R2894-M2898 PolarHBondContact O-N 3.26Å |
| 2895 | F | 36.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -34.2 | 171.1 | -97.4 | -85.1 | 0 | 0 | 0 | 112.5 | N2891 L2892 Q2897 M2898 | N2891-F2895 PolarHBondContact O-N 3.06Å; L2892-F2895 PolarHBondContact O-N 3.25Å; F2895-Q2897 VanDerWaalsContact C-N 3.3Å; F2895-Q2897 PolarHBondContact O-N 3.01Å; F2895-M2898 HydrophobicContact CD1-CE 3.88Å; F2895-M2898 HydrophobicContact CD2-CE 3.93Å; F2895-M2898 HydrophobicContact CE1-CE 3.97Å; F2895-M2898 HydrophobicContact CE2-CE 4.02Å; F2895-M2898 HydrophobicContact CG-CE 3.87Å; F2895-M2898 HydrophobicContact CZ-CE 4.04Å; F2895-M2898 PolarHBondContact O-N 3.44Å |
| 2896 | K | 40 | Very low | 35 | Very low | 168 Ų | 168 | 118.6 Ų | 118.6 | 73% | 0.73 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.1 | -24.8 | 173.7 | -143.8 | 165.8 | -172.6 | 170.3 | 0 | 112.8 | L2892 Y2893 R2894 | L2892-K2896 WeakPolarHBondContact O-CB 3.4Å; L2892-K2896 PolarHBondContact O-N 3.38Å; Y2893-K2896 CarbonylContact O-C 3.58Å; Y2893-K2896 WeakPolarHBondContact O-CB 3.23Å; Y2893-K2896 PolarHBondContact O-N 3.05Å; R2894-K2896 VanDerWaalsContact C-N 3.31Å; R2894-K2896 PolarHBondContact O-N 3.37Å |
| 2897 | Q | 38 | Very low | 34.3 | Very low | 105 Ų | 105 | 117 Ų | 117 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -83.3 | -29.5 | 171.4 | -69.7 | 172.1 | 28.6 | 0 | 0 | 113.4 | Y2893 R2894 F2895 N2899 | Y2893-Q2897 WeakPolarHBondContact O-CG 3.34Å; Y2893-Q2897 PolarHBondContact O-N 2.87Å; R2894-Q2897 PolarHBondContact O-N 3.27Å; F2895-Q2897 VanDerWaalsContact C-N 3.3Å; F2895-Q2897 PolarHBondContact O-N 3.01Å; Q2897-N2899 PolarHBondContact O-N 3.34Å |
| 2898 | M | 29.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -72.9 | 80.2 | 170.8 | -71.2 | -170.4 | -65.6 | 0 | 0 | 109.7 | R2894 F2895 L2900 | R2894-M2898 WeakPolarHBondContact O-CG 3.29Å; R2894-M2898 PolarHBondContact O-N 3.26Å; F2895-M2898 HydrophobicContact CD1-CE 3.88Å; F2895-M2898 HydrophobicContact CD2-CE 3.93Å; F2895-M2898 HydrophobicContact CE1-CE 3.97Å; F2895-M2898 HydrophobicContact CE2-CE 4.02Å; F2895-M2898 HydrophobicContact CG-CE 3.87Å; F2895-M2898 HydrophobicContact CZ-CE 4.04Å; F2895-M2898 PolarHBondContact O-N 3.44Å; M2898-L2900 VanDerWaalsContact C-N 3.28Å; M2898-L2900 PolarHBondContact O-N 3.31Å |
| 2899 | N | 27.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 65% | 0.647 | 60% | 0.604 | S | S | * | * | trans | -64.3 | 73.1 | -169.7 | -171.6 | 11.9 | 0 | 0 | 0 | 113.7 | Q2897 N2901 | Q2897-N2899 PolarHBondContact O-N 3.34Å; N2899-N2901 PolarHBondContact O-N 3.25Å; N2899-N2901 PolarHBondContact OD1-ND2 3.28Å | ||
| 2900 | L | 32.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 121.3 Ų | 121.3 | 75% | 0.754 | 62% | 0.618 | S | S | * | * | trans | -76.8 | 48.3 | 176 | -72.2 | 172.9 | 0 | 0 | 0 | 112.6 | M2898 Y2902 | M2898-L2900 VanDerWaalsContact C-N 3.28Å; M2898-L2900 PolarHBondContact O-N 3.31Å; L2900-Y2902 VanDerWaalsContact C-N 3.26Å; L2900-Y2902 PolarHBondContact O-N 3.33Å | ||
| 2901 | N | 26.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | trans | -87.5 | 65.4 | 161.9 | -76.5 | -52.5 | 0 | 0 | 0 | 109.6 | N2899 E2903 | N2899-N2901 PolarHBondContact O-N 3.25Å; N2899-N2901 PolarHBondContact OD1-ND2 3.28Å; N2901-E2903 VanDerWaalsContact C-N 3.26Å; N2901-E2903 PolarHBondContact O-N 2.89Å | ||
| 2902 | Y | 28.6 | Very low | 30.7 | Very low | 225 Ų | 225 | 132.7 Ų | 132.7 | 88% | 0.882 | 66% | 0.664 | S | S | * | * | trans | -91.5 | 68.3 | 165.3 | -132.1 | -84.1 | 0 | 0 | 0 | 109.2 | L2900 P2904 | L2900-Y2902 VanDerWaalsContact C-N 3.26Å; L2900-Y2902 PolarHBondContact O-N 3.33Å; Y2902-P2904 WeakPolarHBondContact O-CD 3.49Å | ||
| 2903 | E | 26 | Very low | 29.7 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | trans | -78.9 | 114.7 | 176.3 | -134.1 | -78.4 | 141 | 0 | 0 | 108.1 | N2901 N2905 | N2901-E2903 VanDerWaalsContact C-N 3.26Å; N2901-E2903 PolarHBondContact O-N 2.89Å; E2903-N2905 PolarHBondContact O-N 3.31Å | ||
| 2904 | P | 27.6 | Very low | 29 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 57% | 0.571 | 70% | 0.704 | S | S | * | * | trans | -72.6 | 100.9 | 172.7 | 30.1 | -30.9 | 0 | 0 | 0 | 107.6 | Y2902 I2906 | Y2902-P2904 WeakPolarHBondContact O-CD 3.49Å; P2904-I2906 VanDerWaalsContact C-N 3.33Å; P2904-I2906 HydrophobicContact CB-CD1 4.4Å; P2904-I2906 WeakPolarHBondContact O-CG1 3.49Å; P2904-I2906 PolarHBondContact O-N 3.42Å | ||
| 2905 | N | 24.1 | Very low | 28.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | -59.7 | 87 | -174.8 | -177.4 | -9.8 | 0 | 0 | 0 | 112.2 | E2903 N2907 | E2903-N2905 PolarHBondContact O-N 3.31Å; N2905-N2907 PolarHBondContact OD1-ND2 3.26Å | ||
| 2906 | I | 26.8 | Very low | 28.1 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -107.1 | 81 | 178.8 | -62.5 | 164.5 | 0 | 0 | 0 | 107.8 | P2904 A2908 | P2904-I2906 VanDerWaalsContact C-N 3.33Å; P2904-I2906 HydrophobicContact CB-CD1 4.4Å; P2904-I2906 WeakPolarHBondContact O-CG1 3.49Å; P2904-I2906 PolarHBondContact O-N 3.42Å; I2906-A2908 VanDerWaalsContact C-N 3.3Å; I2906-A2908 PolarHBondContact O-N 3.2Å | ||
| 2907 | N | 25.4 | Very low | 27.4 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -66.8 | 87.5 | 168.9 | -93.9 | -60.5 | 0 | 0 | 0 | 110.5 | N2905 S2909 | N2905-N2907 PolarHBondContact OD1-ND2 3.26Å; N2907-S2909 PolarHBondContact O-N 2.85Å | ||
| 2908 | A | 26 | Very low | 26.8 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -76.5 | 111.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | I2906 | I2906-A2908 VanDerWaalsContact C-N 3.3Å; I2906-A2908 PolarHBondContact O-N 3.2Å | ||
| 2909 | S | 27.3 | Very low | 26.7 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -122.5 | 140.4 | 161.6 | -80.1 | 0 | 0 | 0 | 0 | 109.7 | N2907 | N2907-S2909 PolarHBondContact O-N 2.85Š| ||
| 2910 | P | 27.6 | Very low | 26.5 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -85.1 | 153.5 | -156.9 | 32.5 | -37.3 | 0 | 0 | 0 | 114.8 | ||||
| 2911 | Y | 23.6 | Very low | 26.3 | Very low | 232 Ų | 232 | 144.4 Ų | 144.4 | 91% | 0.91 | 76% | 0.764 | S | S | * | * | trans | -55.7 | 131.2 | 172.5 | -67.5 | -93.9 | 0 | 0 | 0 | 113.3 | ||||
| 2912 | I | 29.4 | Very low | 26.2 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | trans | -131.6 | 139.6 | 147.3 | -65.1 | -173.3 | 0 | 0 | 0 | 108.9 | ||||
| 2913 | L | 24.4 | Very low | 26.3 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -79.4 | 128.2 | -175.6 | -179.4 | 80.2 | 0 | 0 | 0 | 112.4 | ||||
| 2914 | S | 26 | Very low | 26.4 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -164.4 | 151.8 | 149 | -165.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2915 | N | 24.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 167.9 | -174.6 | -61.6 | -43.8 | 0 | 0 | 0 | 114.7 | ||||
| 2916 | N | 28.2 | Very low | 26.5 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 98 | 114.6 | 155.5 | -57.8 | -30.2 | 0 | 0 | 0 | 119.6 | ||||
| 2917 | K | 26.1 | Very low | 26.7 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -2.5 | 149.1 | 133.4 | -72.1 | 176.1 | 169.1 | -178.1 | 0 | 116.8 | ||||
| 2918 | L | 25.2 | Very low | 26.8 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 67% | 0.665 | 77% | 0.766 | S | S | * | * | cis | -165.4 | 156.1 | 34.9 | -159.8 | 78.3 | 0 | 0 | 0 | 112.7 | ||||
| 2919 | N | 26.1 | Very low | 27.2 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | 49.5 | 124.4 | 151 | -75.5 | -5.3 | 0 | 0 | 0 | 121.1 | ||||
| 2920 | N | 25.5 | Very low | 27.2 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 68.8 | 118.1 | 69 | -77.5 | -39.8 | 0 | 0 | 0 | 115.4 | |||||
| 2921 | L | 26.7 | Very low | 27.2 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 93% | 0.927 | 75% | 0.754 | S | S | * | * | trans | -125.2 | 130.5 | 151.1 | -115.1 | 169.7 | 0 | 0 | 0 | 107.5 | ||||
| 2922 | N | 26.5 | Very low | 27.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | -146.9 | 140.6 | -169.5 | -175 | 8.3 | 0 | 0 | 0 | 109.7 | ||||
| 2923 | V | 28.8 | Very low | 27.3 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | trans | -149.3 | 112.4 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 2924 | A | 29.2 | Very low | 27.5 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | cis | 144.7 | 155.9 | 35.2 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 2925 | L | 26.3 | Very low | 27.6 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | cis | -165 | 159.2 | -4.7 | -115 | 171.3 | 0 | 0 | 0 | 108.7 | ||||
| 2926 | N | 28.2 | Very low | 27.7 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | trans | 68.9 | 147.5 | 157.7 | -63.3 | -36.8 | 0 | 0 | 0 | 118.9 | ||||
| 2927 | Q | 30 | Very low | 27.6 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | cis | -155.5 | 128 | -5.4 | -123.6 | 158.9 | 41.5 | 0 | 0 | 113.1 | ||||
| 2928 | L | 28.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | 37.1 | 160.6 | 134.2 | -79.3 | 105.4 | 0 | 0 | 0 | 123.2 | ||||
| 2929 | P | 32.5 | Very low | 27.5 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | cis | -129.9 | -150.7 | 2.8 | 39.8 | -17.5 | 0 | 0 | 0 | 112.2 | ||||
| 2930 | F | 27.6 | Very low | 27.3 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | cis | -154.6 | -123.4 | -4.1 | -139.6 | -29.3 | 0 | 0 | 0 | 115.2 | ||||
| 2931 | Y | 28.6 | Very low | 27.4 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -65.1 | 137.6 | -173.5 | -76 | -79.2 | 0 | 0 | 0 | 116.3 | ||||
| 2932 | N | 26.2 | Very low | 27.4 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | cis | 75.1 | 149.7 | 10.6 | -122.8 | -15.3 | 0 | 0 | 0 | 114 | ||||
| 2933 | Q | 27.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 136 Ų | 136 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | cis | -170 | 169.8 | 24.3 | -168.3 | -179.1 | 75.6 | 0 | 0 | 111.5 | ||||
| 2934 | Q | 29.3 | Very low | 27.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | 140.8 | 143 | 129.2 | -69.4 | -111.2 | -1.4 | 0 | 0 | 113.8 | |||||
| 2935 | T | 28.2 | Very low | 26.9 | Very low | 75 Ų | 75 | 140 Ų | 140 | 46% | 0.46 | 72% | 0.715 | S | S | . | * | cis | -162.5 | 128.1 | -25.2 | -85.2 | 0 | 0 | 0 | 0 | 107.8 | L2937 | T2935-L2937 HydrophobicContact CG2-CD2 3.82Å; T2935-L2937 HydrophobicContact CG2-CG 4.08Å | ||
| 2936 | S | 27.2 | Very low | 26.9 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | -161.6 | 112.8 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2937 | L | 24.7 | Very low | 26.9 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 58% | 0.581 | 72% | 0.72 | S | S | * | * | cis | -158 | 131.3 | -33.6 | -124.9 | -175 | 0 | 0 | 0 | 108.1 | T2935 | T2935-L2937 HydrophobicContact CG2-CD2 3.82Å; T2935-L2937 HydrophobicContact CG2-CG 4.08Å | ||
| 2938 | W | 24.7 | Very low | 26.9 | Very low | 226 Ų | 226 | 139.2 Ų | 139.2 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | 62.4 | 154.3 | 179.8 | -45.3 | 119.4 | 0 | 0 | 0 | 117.3 | ||||
| 2939 | P | 24.9 | Very low | 27.1 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | -118.7 | 144.5 | -55.1 | 37.5 | -26.8 | 0 | 0 | 0 | 109.9 | |||||
| 2940 | M | 22 | Very low | 27.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | 48.3 | 79.8 | 66.1 | -72.6 | -63.1 | -172.9 | 0 | 0 | 115.2 | |||||
| 2941 | N | 26.9 | Very low | 27.5 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | -165.6 | 137.4 | 119.3 | -119.3 | -3.9 | 0 | 0 | 0 | 112.8 | |||||
| 2942 | P | 27.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | trans | -85.9 | 149.4 | 157.7 | 35.6 | -30.7 | 0 | 0 | 0 | 110.2 | ||||
| 2943 | L | 25 | Very low | 28.9 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -169.8 | 152.1 | 146.8 | -108.1 | 161.6 | 0 | 0 | 0 | 112.3 | ||||
| 2944 | S | 23.4 | Very low | 29.5 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -57 | -171.5 | -177.4 | -45.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2945 | Y | 26.1 | Very low | 29.7 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | 85.9 | 148.4 | 169.8 | -58.3 | -88.3 | 0 | 0 | 0 | 117.1 | ||||
| 2946 | I | 25.3 | Very low | 30 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 65% | 0.646 | 74% | 0.743 | S | S | * | * | cis | -176.4 | 131.6 | -46 | -110.3 | 162.5 | 0 | 0 | 0 | 107.8 | ||||
| 2947 | L | 28.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 58.9 | 175.7 | 165.5 | -87.7 | 50.2 | 0 | 0 | 0 | 116.8 | ||||
| 2948 | P | 30.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -134.4 | 171.9 | -50 | 37.8 | -22.7 | 0 | 0 | 0 | 116 | ||||
| 2949 | V | 32.9 | Very low | 31 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | -40.3 | 146.6 | 158.3 | 173.1 | 0 | 0 | 0 | 0 | 115.8 | V2951 | V2949-V2951 HydrophobicContact CG1-CB 3.59Å; V2949-V2951 HydrophobicContact CG1-CG2 3.58Å | ||
| 2950 | P | 33.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -109.8 | 141.4 | 136.3 | -10.1 | 29.3 | 0 | 0 | 0 | 114.2 | ||||
| 2951 | V | 35.5 | Very low | 32.1 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -166.2 | 155.6 | -170.8 | 137.6 | 0 | 0 | 0 | 0 | 107.7 | V2949 | V2949-V2951 HydrophobicContact CG1-CB 3.59Å; V2949-V2951 HydrophobicContact CG1-CG2 3.58Å | ||
| 2952 | P | 43.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | -113.8 | -119.4 | -21.4 | 26.9 | -2.2 | 0 | 0 | 0 | 110 | ||||
| 2953 | P | 41 | Very low | 32.5 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | cis | -116.3 | 159.3 | 22.1 | 40.8 | -29.2 | 0 | 0 | 0 | 116.4 | ||||
| 2954 | P | 38.8 | Very low | 32.9 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | trans | -110.4 | -153.7 | 170 | 41.1 | -29.4 | 0 | 0 | 0 | 112.4 | ||||
| 2955 | H | 34.5 | Very low | 33.4 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 78.2 | 148.4 | -178.3 | -37.2 | -73.8 | 0 | 0 | 0 | 114.1 | ||||
| 2956 | T | 33.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | cis | -143.4 | 162.6 | 14.5 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2957 | V | 30.2 | Very low | 34 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | -89.2 | 146 | 178.4 | 173.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2958 | T | 33.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | -165 | 156.5 | 150.2 | 4.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2959 | P | 35.1 | Very low | 34 | Very low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | trans | -124.2 | 175.8 | -164.1 | 43.2 | -31.5 | 0 | 0 | 0 | 117.3 | ||||
| 2960 | S | 32.9 | Very low | 33.8 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 77.6 | 159.8 | 155.6 | -62.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2961 | P | 35.7 | Very low | 33.7 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -142.6 | -170.1 | -38.9 | 41.4 | -24 | 0 | 0 | 0 | 115 | ||||
| 2962 | L | 29.7 | Very low | 33.3 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 67.8 | 107.9 | 154.3 | -70.8 | 169.5 | 0 | 0 | 0 | 121.4 | ||||
| 2963 | T | 34.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | 174 | 170.9 | 99.1 | 33.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2964 | H | 33.3 | Very low | 32 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -57.9 | 169.3 | -172.2 | -59.5 | -54.1 | 0 | 0 | 0 | 116.9 | ||||
| 2965 | H | 33.9 | Very low | 31.6 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | cis | -150.5 | -174.1 | 19.8 | -139 | -16 | 0 | 0 | 0 | 115.4 | ||||
| 2966 | Q | 31.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -102.7 | 172.9 | -168.8 | -77.2 | 177.7 | -95.7 | 0 | 0 | 111.5 | ||||
| 2967 | N | 31.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | cis | -156.3 | 171.8 | 2.6 | -129.7 | 26.5 | 0 | 0 | 0 | 112.8 | ||||
| 2968 | D | 32 | Very low | 30.9 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 71 | 106.7 | 145.4 | -58.4 | -27 | 0 | 0 | 0 | 124.1 | ||||
| 2969 | M | 27.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -57.4 | 172.7 | 152.1 | -56 | -150.8 | 76.5 | 0 | 0 | 112.1 | ||||
| 2970 | Y | 30.5 | Very low | 30.5 | Very low | 218 Ų | 218 | 147.2 Ų | 147.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | cis | -146.1 | 164.2 | 43.3 | -102.4 | -84.8 | 0 | 0 | 0 | 116 | ||||
| 2971 | R | 30 | Very low | 30.5 | Very low | 225 Ų | 225 | 145.7 Ų | 145.7 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | trans | -136.9 | 143.6 | -174.1 | -171.4 | -175.6 | -168.6 | -173.5 | 4.8 | 109.3 | ||||
| 2972 | N | 26.5 | Very low | 30.2 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -51.7 | 137.7 | 175.6 | -61.5 | -13.4 | 0 | 0 | 0 | 112.6 | ||||
| 2973 | S | 31.6 | Very low | 30 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -157.7 | 135.6 | 150.5 | -109.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2974 | V | 26 | Very low | 29.7 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -82.5 | 137.1 | 168.7 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2975 | M | 29.9 | Very low | 29.4 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -158.6 | 138.8 | 150.1 | -119.9 | 166.3 | -174.4 | 0 | 0 | 114.1 | ||||
| 2976 | T | 26.4 | Very low | 29.3 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -93.3 | 127.5 | 172.8 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2977 | T | 31.7 | Very low | 29.1 | Very low | 128 Ų | 128 | 148 Ų | 148 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -142.3 | 107.8 | 162.4 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2978 | T | 25.9 | Very low | 29.1 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 92% | 0.92 | 83% | 0.831 | S | S | * | * | trans | -85.5 | 120.9 | 163.5 | 32.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2979 | T | 31.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 83% | 0.827 | S | S | * | * | trans | -135.3 | 111.4 | 170.1 | -43.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2980 | T | 27.6 | Very low | 29 | Very low | 146 Ų | 146 | 152 Ų | 152 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | trans | -76.2 | 121.3 | 174.3 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2981 | G | 34.2 | Very low | 29 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -121 | 139.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2982 | T | 28.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -103.2 | 148.4 | -165.2 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2983 | L | 26.1 | Very low | 29.2 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | 68.3 | 125.2 | 154.6 | -66.8 | 160.5 | 0 | 0 | 0 | 117.8 | ||||
| 2984 | G | 28.5 | Very low | 29 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 176.9 | 56.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H2986 | G2984-H2986 PolarHBondContact O-N 3.31Š| ||
| 2985 | M | 27.6 | Very low | 29.3 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -71.4 | 122.7 | 174.6 | -81.6 | -70.5 | -168.2 | 0 | 0 | 110.6 | ||||
| 2986 | H | 30.4 | Very low | 29.2 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -150.4 | 122 | 156.5 | -127.4 | -78.8 | 0 | 0 | 0 | 111.8 | G2984 | G2984-H2986 PolarHBondContact O-N 3.31Š| ||
| 2987 | H | 27.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -70 | 145.2 | 162.1 | -89.2 | -114.9 | 0 | 0 | 0 | 109.6 | ||||
| 2988 | N | 31.8 | Very low | 29.4 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | -163 | 147 | 115.6 | -95 | -19.9 | 0 | 0 | 0 | 111.7 | |||||
| 2989 | S | 26.1 | Very low | 29.5 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | -91.7 | 148.7 | -177.2 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2990 | Y | 31.2 | Very low | 29.2 | Very low | 220 Ų | 220 | 149.3 Ų | 149.3 | 86% | 0.863 | 81% | 0.814 | S | S | * | * | trans | -152.8 | 115.7 | 143.3 | -98.1 | -67.2 | 0 | 0 | 0 | 113.5 | ||||
| 2991 | T | 28.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | 37.7 | 106.6 | 144.1 | 53.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2992 | T | 27.3 | Very low | 29.3 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | 52.5 | 113.4 | 114.4 | -38.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 2993 | T | 33.4 | Very low | 29.8 | Very low | 145 Ų | 145 | 154.7 Ų | 154.7 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | -156.1 | 134 | 127.3 | -8.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 2994 | D | 27.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -85.7 | 135.3 | 177.5 | -96.8 | -61.8 | 0 | 0 | 0 | 111.5 | ||||
| 2995 | E | 32.1 | Very low | 32.6 | Very low | 174 Ų | 174 | 149.3 Ų | 149.3 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -132.2 | 117.3 | 148.6 | -89.3 | -135.4 | 129.8 | 0 | 0 | 109.9 | I2997 | E2995-I2997 PolarHBondContact O-N 3.3Š| ||
| 2996 | S | 27.5 | Very low | 34.7 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -96.1 | 71 | -171 | 40.1 | 0 | 0 | 0 | 0 | 112.2 | K2998 | S2996-K2998 PolarHBondContact O-N 3.08Å; S2996-K2998 VanDerWaalsContact O-N 3.17Å | ||
| 2997 | I | 34.7 | Very low | 37.1 | Very low | 142 Ų | 142 | 139 Ų | 139 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | trans | -73.1 | 108.9 | 177.6 | -58.7 | -178.2 | 0 | 0 | 0 | 110.6 | E2995 Q2999 | E2995-I2997 PolarHBondContact O-N 3.3Å; I2997-Q2999 PolarHBondContact O-N 2.73Å | ||
| 2998 | K | 27.8 | Very low | 39.8 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 70% | 0.704 | S | S | * | * | trans | -49.3 | 119.8 | 169 | -81.8 | 175.1 | 173.4 | 170.2 | 0 | 110.8 | S2996 K3000 | S2996-K2998 PolarHBondContact O-N 3.08Å; S2996-K2998 VanDerWaalsContact O-N 3.17Å; K2998-K3000 PolarHBondContact O-N 3.15Å | ||
| 2999 | Q | 28 | Very low | 42.5 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 91% | 0.911 | 67% | 0.666 | S | S | * | * | trans | -65.6 | 98.6 | 166.1 | -73.1 | -174.6 | -13.2 | 0 | 0 | 109.7 | I2997 | I2997-Q2999 PolarHBondContact O-N 2.73Š| ||
| 3000 | K | 26.5 | Very low | 45.5 | Very low | 183 Ų | 183 | 126 Ų | 126 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | trans | -62.4 | 136.8 | 167.4 | -164.4 | 178.6 | -176.9 | -171.9 | 0 | 107.9 | K2998 L3002 | K2998-K3000 PolarHBondContact O-N 3.15Å; K3000-L3002 PolarHBondContact O-N 3.15Å; K3000-L3002 VanDerWaalsContact O-N 3.17Å | ||
| 3001 | P | 28.6 | Very low | 48.2 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | -59 | 124.2 | 176.7 | 25 | -33.9 | 0 | 0 | 0 | 109.1 | E3003 | P3001-E3003 PolarHBondContact O-N 2.93Å; P3001-E3003 VanDerWaalsContact O-N 3.08Å | ||
| 3002 | L | 34.8 | Very low | 51.2 | Low | 174 Ų | 174 | 118.6 Ų | 118.6 | 91% | 0.911 | 61% | 0.612 | S | S | * | * | trans | -72.6 | 102.3 | -178.9 | -168.2 | 73.8 | 0 | 0 | 0 | 108.7 | K3000 F3004 | K3000-L3002 PolarHBondContact O-N 3.15Å; K3000-L3002 VanDerWaalsContact O-N 3.17Å; L3002-F3004 PolarHBondContact O-N 3.05Å | ||
| 3003 | E | 39.5 | Very low | 54.2 | Low | 175 Ų | 175 | 112.7 Ų | 112.7 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -62.8 | 118.3 | 173.9 | -69.9 | -175.8 | 126.8 | 0 | 0 | 109 | P3001 S3005 | P3001-E3003 PolarHBondContact O-N 2.93Å; P3001-E3003 VanDerWaalsContact O-N 3.08Å; E3003-S3005 PolarHBondContact O-N 3.03Å | ||
| 3004 | F | 52.6 | Low | 57 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 38% | 0.377 | 54% | 0.536 | S | S | . | . | trans | -72.1 | 89.9 | -175.8 | 179.8 | -99.6 | 0 | 0 | 0 | 110.6 | P2705 N2709 F2736 L3002 G3006 V3009 | P2705-F3004 HydrophobicContact CB-CD1 4.31Å; P2705-F3004 HydrophobicContact CB-CE1 4.28Å; N2709-F3004 HydrophobicContact CB-CE2 4.23Å; N2709-F3004 HydrophobicContact CB-CZ 3.76Å; N2709-F3004 WeakPolarHBondContact OD1-CZ 3.43Å; F2736-F3004 HydrophobicContact CE1-CE1 4.01Å; F2736-F3004 AromaticContact CZ-CE1 3.94Å; F2736-F3004 HydrophobicContact CZ-CE1 3.94Å; L3002-F3004 PolarHBondContact O-N 3.05Å; F3004-G3006 PolarHBondContact O-N 3.07Å; F3004-V3009 HydrophobicContact CE2-CG2 4.38Å; F3004-V3009 HydrophobicContact CZ-CG2 3.84Å | ||
| 3005 | S | 59.9 | Low | 60.1 | Low | 55 Ų | 55 | 101 Ų | 101 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | trans | -71.6 | 104.5 | 167.9 | 172.4 | 0 | 0 | 0 | 0 | 109 | E3003 R3007 | E3003-S3005 PolarHBondContact O-N 3.03Å; S3005-R3007 PolarHBondContact O-N 3.03Å; S3005-R3007 WeakPolarHBondContact OG-CD 3.46Å; S3005-R3007 WeakPolarHBondContact OG-CG 3.5Å | ||
| 3006 | G | 73 | Confident | 62.9 | Low | 10 Ų | 10 | 94.9 Ų | 94.9 | 10% | 0.103 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 3.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F3004 I3010 | F3004-G3006 PolarHBondContact O-N 3.07Å; G3006-I3010 WeakPolarHBondContact O-CG1 3.44Å; G3006-I3010 PolarHBondContact O-N 3.26Å |
| 3007 | R | 80.7 | Confident | 66 | Low | 135 Ų | 135 | 89.3 Ų | 89.3 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.6 | -58 | 178 | -65.5 | 176.8 | -168.5 | -111.2 | -0.5 | 110.7 | S3005 V3009 I3010 E3011 | S3005-R3007 PolarHBondContact O-N 3.03Å; S3005-R3007 WeakPolarHBondContact OG-CD 3.46Å; S3005-R3007 WeakPolarHBondContact OG-CG 3.5Å; R3007-V3009 PolarHBondContact O-N 2.99Å; R3007-I3010 CarbonylContact O-C 3.57Å; R3007-I3010 WeakPolarHBondContact O-CA 3.27Å; R3007-I3010 WeakPolarHBondContact O-CB 3.42Å; R3007-I3010 PolarHBondContact O-N 3.22Å; R3007-E3011 WeakPolarHBondContact O-CG 3.27Å; R3007-E3011 PolarHBondContact O-N 3.3Å |
| 3008 | D | 84.5 | Confident | 68.7 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -51 | -36.7 | -173.7 | -49.6 | 15.8 | 0 | 0 | 0 | 112.1 | N3012 | D3008-N3012 WeakPolarHBondContact O-CB 3.43Å; D3008-N3012 PolarHBondContact O-N 2.81Å; D3008-N3012 VanDerWaalsContact O-N 3.07Å; D3008-N3012 PolarHBondContact O-ND2 3.42Å |
| 3009 | V | 86.9 | Confident | 71.8 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | N2709 C2712 F3004 R3007 N3012 L3013 | N2709-V3009 WeakPolarHBondContact OD1-CG2 3.41Å; C2712-V3009 HydrophobicContact CB-CG1 3.39Å; F3004-V3009 HydrophobicContact CE2-CG2 4.38Å; F3004-V3009 HydrophobicContact CZ-CG2 3.84Å; R3007-V3009 PolarHBondContact O-N 2.99Å; V3009-N3012 PolarHBondContact O-N 3.19Å; V3009-L3013 HydrophobicContact CG1-CD1 4.28Å; V3009-L3013 WeakPolarHBondContact O-CB 3.4Å; V3009-L3013 VanDerWaalsContact O-CG 3.3Å; V3009-L3013 WeakPolarHBondContact O-CG 3.4Å; V3009-L3013 PolarHBondContact O-N 3.37Å |
| 3010 | I | 89.6 | Confident | 74.8 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.8 | -64.8 | 164.9 | 0 | 0 | 0 | 110.2 | V2732 I2733 F2736 G3006 R3007 N3012 L3013 I3014 | V2732-I3010 HydrophobicContact CG1-CG1 4.3Å; I2733-I3010 HydrophobicContact CD1-CG2 4.32Å; I2733-I3010 HydrophobicContact CG1-CG2 3.81Å; F2736-I3010 HydrophobicContact CB-CD1 3.92Å; F2736-I3010 HydrophobicContact CD2-CD1 3.9Å; F2736-I3010 HydrophobicContact CD2-CG1 4.11Å; F2736-I3010 HydrophobicContact CG-CD1 4.17Å; G3006-I3010 WeakPolarHBondContact O-CG1 3.44Å; G3006-I3010 PolarHBondContact O-N 3.26Å; R3007-I3010 CarbonylContact O-C 3.57Å; R3007-I3010 WeakPolarHBondContact O-CA 3.27Å; R3007-I3010 WeakPolarHBondContact O-CB 3.42Å; R3007-I3010 PolarHBondContact O-N 3.22Å; I3010-N3012 PolarHBondContact O-N 2.83Å; I3010-L3013 PolarHBondContact O-N 3.5Å; I3010-I3014 HydrophobicContact CG2-CD1 3.61Å; I3010-I3014 HydrophobicContact CG2-CG1 4.19Å; I3010-I3014 WeakPolarHBondContact O-CB 3.14Å; I3010-I3014 VanDerWaalsContact O-CG1 3.27Å; I3010-I3014 WeakPolarHBondContact O-CG1 3.31Å; I3010-I3014 PolarHBondContact O-N 3.39Å |
| 3011 | E | 88.8 | Confident | 77.9 | Confident | 77 Ų | 77 | 59.5 Ų | 59.5 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 178.5 | -56.3 | -164.3 | -177.2 | 0 | 0 | 111.4 | R3007 I3014 N3015 I3059 | R3007-E3011 WeakPolarHBondContact O-CG 3.27Å; R3007-E3011 PolarHBondContact O-N 3.3Å; E3011-I3014 PolarHBondContact O-N 2.95Å; E3011-N3015 WeakPolarHBondContact O-CB 3.48Å; E3011-N3015 VanDerWaalsContact O-CG 3.3Å; E3011-N3015 PolarHBondContact O-N 2.86Å; E3011-N3015 PolarHBondContact O-ND2 3.49Å; E3011-I3059 HydrophobicContact CB-CD1 3.88Å; E3011-I3059 HydrophobicContact CG-CD1 3.5Å |
| 3012 | N | 90.8 | Very high | 80.9 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.6 | -80.6 | -61.3 | 0 | 0 | 0 | 112.3 | L2716 D3008 V3009 I3010 H3016 | L2716-N3012 HydrophobicContact CD1-CB 4.14Å; D3008-N3012 WeakPolarHBondContact O-CB 3.43Å; D3008-N3012 PolarHBondContact O-N 2.81Å; D3008-N3012 VanDerWaalsContact O-N 3.07Å; D3008-N3012 PolarHBondContact O-ND2 3.42Å; V3009-N3012 PolarHBondContact O-N 3.19Å; I3010-N3012 PolarHBondContact O-N 2.83Å; N3012-H3016 WeakPolarHBondContact O-CB 3.27Å; N3012-H3016 PolarHBondContact O-N 2.89Å |
| 3013 | L | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.8 | -77.8 | 170.9 | 0 | 0 | 0 | 112.9 | C2712 L2716 M2725 T2729 V2732 V3009 I3010 H3016 T3017 | C2712-L3013 HydrophobicContact CB-CD1 4.28Å; L2716-L3013 HydrophobicContact CD2-CD2 4Å; L2716-L3013 HydrophobicContact CG-CD2 4.11Å; M2725-L3013 HydrophobicContact SD-CD2 3.95Å; T2729-L3013 HydrophobicContact CG2-CB 3.88Å; V2732-L3013 HydrophobicContact CB-CD1 4.01Å; V2732-L3013 HydrophobicContact CG1-CD1 3.74Å; V2732-L3013 HydrophobicContact CG2-CD1 4.08Å; V3009-L3013 HydrophobicContact CG1-CD1 4.28Å; V3009-L3013 WeakPolarHBondContact O-CB 3.4Å; V3009-L3013 VanDerWaalsContact O-CG 3.3Å; V3009-L3013 WeakPolarHBondContact O-CG 3.4Å; V3009-L3013 PolarHBondContact O-N 3.37Å; I3010-L3013 PolarHBondContact O-N 3.5Å; L3013-H3016 PolarHBondContact O-N 3.17Å; L3013-T3017 WeakPolarHBondContact O-CB 3.42Å; L3013-T3017 PolarHBondContact O-N 2.92Å; L3013-T3017 PolarHBondContact O-OG1 2.88Å |
| 3014 | I | 91.7 | Very high | 85.8 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -51.2 | 177.8 | -68.6 | 172.5 | 0 | 0 | 0 | 109.8 | T2729 I2733 I3010 E3011 H3016 T3017 H3018 M3056 P3057 | T2729-I3014 HydrophobicContact CG2-CG1 3.71Å; I2733-I3014 HydrophobicContact CD1-CD1 4.23Å; I2733-I3014 HydrophobicContact CD1-CG1 4.47Å; I3010-I3014 HydrophobicContact CG2-CD1 3.61Å; I3010-I3014 HydrophobicContact CG2-CG1 4.19Å; I3010-I3014 WeakPolarHBondContact O-CB 3.14Å; I3010-I3014 VanDerWaalsContact O-CG1 3.27Å; I3010-I3014 WeakPolarHBondContact O-CG1 3.31Å; I3010-I3014 PolarHBondContact O-N 3.39Å; E3011-I3014 PolarHBondContact O-N 2.95Å; I3014-H3016 VanDerWaalsContact C-N 3.32Å; I3014-H3016 PolarHBondContact O-N 2.75Å; I3014-T3017 WeakPolarHBondContact O-CB 3.29Å; I3014-T3017 PolarHBondContact O-N 3.49Å; I3014-T3017 VanDerWaalsContact O-N 3.15Å; I3014-H3018 PolarHBondContact O-CD2 3.17Å; I3014-H3018 VanDerWaalsContact O-CD2 3.28Å; I3014-H3018 PolarHBondContact O-N 3.2Å; I3014-M3056 HydrophobicContact CD1-CB 4.09Å; I3014-M3056 HydrophobicContact CG1-CB 4.06Å; I3014-M3056 HydrophobicContact CG1-SD 4.28Å; I3014-M3056 HydrophobicContact CG2-CB 4.34Å; I3014-P3057 WeakPolarHBondContact CG2-O 3.49Å |
| 3015 | N | 91.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 179.8 | -69.9 | -29.4 | 0 | 0 | 0 | 111.6 | E3011 T3019 I3059 D3060 L3063 | E3011-N3015 WeakPolarHBondContact O-CB 3.48Å; E3011-N3015 VanDerWaalsContact O-CG 3.3Å; E3011-N3015 PolarHBondContact O-N 2.86Å; E3011-N3015 PolarHBondContact O-ND2 3.49Å; N3015-T3019 WeakPolarHBondContact O-CB 3.39Å; N3015-T3019 PolarHBondContact O-N 3.39Å; N3015-T3019 PolarHBondContact O-OG1 3.4Å; N3015-I3059 PolarHBondContact OD1-N 2.95Å; N3015-D3060 PolarHBondContact OD1-N 3Å; N3015-D3060 VanDerWaalsContact OD1-N 3.15Å; N3015-L3063 HydrophobicContact CB-CD1 3.8Å; N3015-L3063 WeakPolarHBondContact O-CD1 3.39Å |
| 3016 | H | 91.8 | Very high | 89 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 22% | 0.218 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 173.5 | -169.5 | 108.6 | 0 | 0 | 0 | 112.2 | L2716 N3012 L3013 I3014 H3018 T3019 L3020 | L2716-H3016 HydrophobicContact CD2-CB 3.46Å; L2716-H3016 VanDerWaalsContact CD2-CB 3.46Å; L2716-H3016 PolarHBondContact O-CE1 3.36Å; L2716-H3016 VanDerWaalsContact O-CE1 3.23Å; N3012-H3016 WeakPolarHBondContact O-CB 3.27Å; N3012-H3016 PolarHBondContact O-N 2.89Å; L3013-H3016 PolarHBondContact O-N 3.17Å; I3014-H3016 VanDerWaalsContact C-N 3.32Å; I3014-H3016 PolarHBondContact O-N 2.75Å; H3016-H3018 PolarHBondContact O-N 3.08Å; H3016-T3019 WeakPolarHBondContact O-CB 3.3Å; H3016-T3019 PolarHBondContact O-N 3.49Å; H3016-L3020 WeakPolarHBondContact O-CG 3.35Å; H3016-L3020 PolarHBondContact O-N 2.6Å |
| 3017 | T | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.7 | -51.8 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | M2725 E2726 T2729 L3013 I3014 T3019 L3020 F3021 V3052 M3056 | M2725-T3017 HydrophobicContact CG-CG2 4.48Å; M2725-T3017 WeakPolarHBondContact CG-OG1 3.47Å; E2726-T3017 HydrophobicContact CB-CG2 4.44Å; T2729-T3017 PolarHBondContact OG1-OG1 2.95Å; L3013-T3017 WeakPolarHBondContact O-CB 3.42Å; L3013-T3017 PolarHBondContact O-N 2.92Å; L3013-T3017 PolarHBondContact O-OG1 2.88Å; I3014-T3017 WeakPolarHBondContact O-CB 3.29Å; I3014-T3017 PolarHBondContact O-N 3.49Å; I3014-T3017 VanDerWaalsContact O-N 3.15Å; T3017-T3019 VanDerWaalsContact C-N 3.33Å; T3017-T3019 PolarHBondContact O-N 3.2Å; T3017-L3020 PolarHBondContact O-N 3.3Å; T3017-F3021 HydrophobicContact CG2-CD2 3.91Å; T3017-F3021 HydrophobicContact CG2-CE2 3.79Å; T3017-F3021 WeakPolarHBondContact O-CD2 3.35Å; T3017-F3021 PolarHBondContact O-N 3.17Å; T3017-V3052 HydrophobicContact CG2-CG1 3.86Å; T3017-M3056 HydrophobicContact CG2-SD 4.5Å |
| 3018 | H | 92.3 | Very high | 90 | Very high | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.5 | -78.8 | -73.3 | 0 | 0 | 0 | 112 | I3014 H3016 L3020 F3021 Q3022 M3056 A3058 L3063 | I3014-H3018 PolarHBondContact O-CD2 3.17Å; I3014-H3018 VanDerWaalsContact O-CD2 3.28Å; I3014-H3018 PolarHBondContact O-N 3.2Å; H3016-H3018 PolarHBondContact O-N 3.08Å; H3018-L3020 VanDerWaalsContact C-N 3.34Å; H3018-L3020 PolarHBondContact O-N 3.35Å; H3018-F3021 PolarHBondContact O-N 2.84Å; H3018-Q3022 WeakPolarHBondContact O-CB 3.44Å; H3018-Q3022 VanDerWaalsContact O-CG 3.28Å; H3018-Q3022 WeakPolarHBondContact O-CG 3.34Å; H3018-Q3022 PolarHBondContact O-N 2.93Å; H3018-M3056 PolarHBondContact NE2-O 3.12Å; H3018-A3058 HydrophobicContact CB-CB 4.3Å; H3018-L3063 HydrophobicContact CB-CB 4.19Å; H3018-L3063 HydrophobicContact CB-CD1 4.26Å |
| 3019 | T | 92.2 | Very high | 90.1 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 40% | 0.399 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58 | -43.1 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | N3015 H3016 T3017 K3023 L3063 | N3015-T3019 WeakPolarHBondContact O-CB 3.39Å; N3015-T3019 PolarHBondContact O-N 3.39Å; N3015-T3019 PolarHBondContact O-OG1 3.4Å; H3016-T3019 WeakPolarHBondContact O-CB 3.3Å; H3016-T3019 PolarHBondContact O-N 3.49Å; T3017-T3019 VanDerWaalsContact C-N 3.33Å; T3017-T3019 PolarHBondContact O-N 3.2Å; T3019-K3023 VanDerWaalsContact O-CB 3.24Å; T3019-K3023 WeakPolarHBondContact O-CB 3.08Å; T3019-K3023 PolarHBondContact O-N 3.16Å; T3019-L3063 WeakPolarHBondContact OG1-CD1 3.4Å |
| 3020 | L | 91 | Very high | 90 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 176.8 | -69.7 | 179.1 | 0 | 0 | 0 | 112.3 | V2719 P2722 M2725 H3016 T3017 H3018 K3023 Y3024 | V2719-L3020 WeakPolarHBondContact O-CD1 3.26Å; P2722-L3020 HydrophobicContact CB-CB 3.91Å; M2725-L3020 HydrophobicContact CB-CD1 3.93Å; M2725-L3020 HydrophobicContact CE-CD1 3.97Å; M2725-L3020 HydrophobicContact CG-CD1 4.25Å; H3016-L3020 WeakPolarHBondContact O-CG 3.35Å; H3016-L3020 PolarHBondContact O-N 2.6Å; T3017-L3020 PolarHBondContact O-N 3.3Å; H3018-L3020 VanDerWaalsContact C-N 3.34Å; H3018-L3020 PolarHBondContact O-N 3.35Å; L3020-K3023 PolarHBondContact O-N 3.2Å; L3020-Y3024 VanDerWaalsContact O-CB 3.3Å; L3020-Y3024 WeakPolarHBondContact O-CB 3.4Å; L3020-Y3024 PolarHBondContact O-N 3.45Å |
| 3021 | F | 91.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.9 | -85.6 | -76 | 0 | 0 | 0 | 111.4 | P2722 L2723 E2726 T3017 H3018 Y3024 I3025 L3045 K3048 A3049 V3052 | P2722-F3021 HydrophobicContact CB-CD1 3.85Å; P2722-F3021 HydrophobicContact CB-CD2 3.68Å; P2722-F3021 HydrophobicContact CB-CE1 3.93Å; P2722-F3021 HydrophobicContact CB-CE2 3.73Å; P2722-F3021 HydrophobicContact CB-CG 3.74Å; P2722-F3021 HydrophobicContact CB-CZ 3.88Å; P2722-F3021 HydrophobicContact CG-CD1 4.35Å; P2722-F3021 HydrophobicContact CG-CE1 4.43Å; L2723-F3021 HydrophobicContact CD2-CE1 4.02Å; L2723-F3021 HydrophobicContact CD2-CZ 3.92Å; E2726-F3021 HydrophobicContact CB-CE2 4.4Å; T3017-F3021 HydrophobicContact CG2-CD2 3.91Å; T3017-F3021 HydrophobicContact CG2-CE2 3.79Å; T3017-F3021 WeakPolarHBondContact O-CD2 3.35Å; T3017-F3021 PolarHBondContact O-N 3.17Å; H3018-F3021 PolarHBondContact O-N 2.84Å; F3021-Y3024 PolarHBondContact O-N 2.86Å; F3021-I3025 WeakPolarHBondContact O-CB 3.45Å; F3021-I3025 VanDerWaalsContact O-CG1 3.25Å; F3021-I3025 WeakPolarHBondContact O-CG1 3.42Å; F3021-I3025 PolarHBondContact O-N 2.89Å; F3021-L3045 HydrophobicContact CD1-CD1 4.36Å; F3021-K3048 HydrophobicContact CE1-CB 4.17Å; F3021-A3049 HydrophobicContact CB-CB 4.1Å; F3021-A3049 HydrophobicContact CD1-CB 3.64Å; F3021-A3049 HydrophobicContact CE1-CB 4.24Å; F3021-A3049 HydrophobicContact CG-CB 3.97Å; F3021-V3052 HydrophobicContact CD2-CG1 4.42Å; F3021-V3052 HydrophobicContact CE2-CB 4.17Å; F3021-V3052 HydrophobicContact CE2-CG1 4.13Å; F3021-V3052 HydrophobicContact CE2-CG2 3.71Å; F3021-V3052 HydrophobicContact CZ-CG2 3.84Å |
| 3022 | Q | 91.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -50.4 | 177.8 | -70.2 | -164.7 | 18.8 | 0 | 0 | 111.6 | H3018 Y3024 I3025 D3026 L3063 L3068 | H3018-Q3022 WeakPolarHBondContact O-CB 3.44Å; H3018-Q3022 VanDerWaalsContact O-CG 3.28Å; H3018-Q3022 WeakPolarHBondContact O-CG 3.34Å; H3018-Q3022 PolarHBondContact O-N 2.93Å; Q3022-Y3024 VanDerWaalsContact C-N 3.31Å; Q3022-Y3024 PolarHBondContact O-N 3.23Å; Q3022-I3025 PolarHBondContact O-N 3.03Å; Q3022-D3026 WeakPolarHBondContact O-CB 3.4Å; Q3022-D3026 PolarHBondContact O-N 3.06Å; Q3022-D3026 VanDerWaalsContact O-OD2 3.09Å; Q3022-L3063 PolarHBondContact NE2-O 3.45Å; Q3022-L3068 HydrophobicContact CG-CB 4.48Å; Q3022-L3068 HydrophobicContact CG-CD1 4.06Å; Q3022-L3068 HydrophobicContact CG-CD2 4.15Å; Q3022-L3068 HydrophobicContact CG-CG 4.45Å |
| 3023 | K | 89.8 | Confident | 88.9 | Confident | 121 Ų | 121 | 43.4 Ų | 43.4 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.6 | -42.4 | 176.9 | -179.2 | -176.8 | 176.2 | -173.8 | 0 | 112.5 | T3019 L3020 Q3027 | T3019-K3023 VanDerWaalsContact O-CB 3.24Å; T3019-K3023 WeakPolarHBondContact O-CB 3.08Å; T3019-K3023 PolarHBondContact O-N 3.16Å; L3020-K3023 PolarHBondContact O-N 3.2Å; K3023-Q3027 WeakPolarHBondContact O-CB 3.19Å; K3023-Q3027 PolarHBondContact O-N 3.06Å |
| 3024 | Y | 88.8 | Confident | 88.2 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 45% | 0.451 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.8 | -36.5 | -179.1 | -164.8 | -105.3 | 0 | 0 | 0 | 112.4 | L3020 F3021 Q3022 Q3027 R3028 L3045 | L3020-Y3024 VanDerWaalsContact O-CB 3.3Å; L3020-Y3024 WeakPolarHBondContact O-CB 3.4Å; L3020-Y3024 PolarHBondContact O-N 3.45Å; F3021-Y3024 PolarHBondContact O-N 2.86Å; Q3022-Y3024 VanDerWaalsContact C-N 3.31Å; Q3022-Y3024 PolarHBondContact O-N 3.23Å; Y3024-Q3027 PolarHBondContact O-N 3.17Å; Y3024-R3028 WeakPolarHBondContact O-CB 3.3Å; Y3024-R3028 PolarHBondContact O-N 3.06Å; Y3024-L3045 HydrophobicContact CD1-CD1 3.73Å; Y3024-L3045 HydrophobicContact CD1-CD2 3.59Å; Y3024-L3045 HydrophobicContact CD1-CG 4.32Å; Y3024-L3045 HydrophobicContact CE1-CD1 4.12Å; Y3024-L3045 HydrophobicContact CE1-CD2 3.93Å |
| 3025 | I | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -48 | 171.6 | -73.1 | 167 | 0 | 0 | 0 | 110.5 | F3021 Q3022 Q3027 R3028 L3029 F3042 L3045 I3046 A3049 L3068 I3072 | F3021-I3025 WeakPolarHBondContact O-CB 3.45Å; F3021-I3025 VanDerWaalsContact O-CG1 3.25Å; F3021-I3025 WeakPolarHBondContact O-CG1 3.42Å; F3021-I3025 PolarHBondContact O-N 2.89Å; Q3022-I3025 PolarHBondContact O-N 3.03Å; I3025-Q3027 VanDerWaalsContact C-N 3.3Å; I3025-Q3027 PolarHBondContact O-N 3.4Å; I3025-R3028 PolarHBondContact O-N 3.28Å; I3025-L3029 WeakPolarHBondContact O-CB 3.33Å; I3025-L3029 PolarHBondContact O-N 3.25Å; I3025-F3042 HydrophobicContact CG2-CE2 3.95Å; I3025-F3042 HydrophobicContact CG2-CZ 4.01Å; I3025-L3045 HydrophobicContact CD1-CG 4.5Å; I3025-L3045 HydrophobicContact CG1-CD2 3.72Å; I3025-L3045 HydrophobicContact CG1-CG 3.82Å; I3025-I3046 HydrophobicContact CD1-CG1 4.19Å; I3025-I3046 HydrophobicContact CG1-CG1 4.49Å; I3025-A3049 HydrophobicContact CD1-CB 3.77Å; I3025-L3068 HydrophobicContact CD1-CD2 3.98Å; I3025-L3068 HydrophobicContact CG2-CD1 4.18Å; I3025-I3072 HydrophobicContact CG2-CD1 3.99Å; I3025-I3072 HydrophobicContact CG2-CG1 4.2Å |
| 3026 | D | 88.7 | Confident | 87.3 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | 176.3 | -75.2 | -47.7 | 0 | 0 | 0 | 111.4 | Q3022 Q3030 R3071 | Q3022-D3026 WeakPolarHBondContact O-CB 3.4Å; Q3022-D3026 PolarHBondContact O-N 3.06Å; Q3022-D3026 VanDerWaalsContact O-OD2 3.09Å; D3026-Q3030 VanDerWaalsContact O-CG 3.31Å; D3026-Q3030 WeakPolarHBondContact O-CG 3.42Å; D3026-Q3030 PolarHBondContact O-N 3.42Å; D3026-Q3030 VanDerWaalsContact O-N 3.07Å; D3026-R3071 IonicContact OD1-CZ 3.16Å; D3026-R3071 IonicContact OD1-NH1 2.74Å; D3026-R3071 PolarHBondContact OD1-NH1 3.27Å; D3026-R3071 IonicContact OD2-CZ 3.64Å; D3026-R3071 IonicContact OD2-NH1 3.6Å; D3026-R3071 PolarHBondContact OD2-NH1 3.33Å; D3026-R3071 IonicContact OD2-NH2 2.8Å; D3026-R3071 PolarHBondContact OD2-NH2 3.35Å; D3026-R3071 VanDerWaalsContact OD2-NH2 3.16Å |
| 3027 | Q | 87.3 | Confident | 87 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 175.5 | -172.7 | 177.8 | 3.8 | 0 | 0 | 112.2 | K3023 Y3024 I3025 L3029 Q3030 Y3031 | K3023-Q3027 WeakPolarHBondContact O-CB 3.19Å; K3023-Q3027 PolarHBondContact O-N 3.06Å; Y3024-Q3027 PolarHBondContact O-N 3.17Å; I3025-Q3027 VanDerWaalsContact C-N 3.3Å; I3025-Q3027 PolarHBondContact O-N 3.4Å; Q3027-L3029 VanDerWaalsContact C-N 3.29Å; Q3027-L3029 PolarHBondContact O-N 3.03Å; Q3027-Q3030 PolarHBondContact O-N 3.37Å; Q3027-Y3031 WeakPolarHBondContact O-CD2 3.35Å; Q3027-Y3031 PolarHBondContact O-N 3.36Å |
| 3028 | R | 87.1 | Confident | 86.7 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 25% | 0.253 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 178.8 | -166.1 | 66.4 | 171.1 | 129.5 | -7.4 | 111 | Y3024 I3025 Q3030 Y3031 I3032 E3041 F3042 L3045 | Y3024-R3028 WeakPolarHBondContact O-CB 3.3Å; Y3024-R3028 PolarHBondContact O-N 3.06Å; I3025-R3028 PolarHBondContact O-N 3.28Å; R3028-Q3030 PolarHBondContact O-N 2.93Å; R3028-Y3031 CarbonylContact O-C 3.5Å; R3028-Y3031 PolarHBondContact O-N 2.83Å; R3028-I3032 WeakPolarHBondContact O-CB 3.29Å; R3028-I3032 PolarHBondContact O-N 3.03Å; R3028-E3041 IonicContact CZ-OE2 3.89Å; R3028-E3041 IonicContact NH2-OE2 2.81Å; R3028-E3041 PolarHBondContact NH2-OE2 3.15Å; R3028-F3042 HydrophobicContact CB-CD2 3.99Å; R3028-F3042 HydrophobicContact CB-CE2 4.19Å; R3028-F3042 HydrophobicContact CG-CD2 3.78Å; R3028-F3042 HydrophobicContact CG-CE2 4.45Å; R3028-L3045 HydrophobicContact CB-CD2 4.31Å |
| 3029 | L | 87.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -27.4 | 177.5 | -176.2 | 57.1 | 0 | 0 | 0 | 113.5 | I3025 Q3027 I3032 F3042 I3072 H3075 K3077 | I3025-L3029 WeakPolarHBondContact O-CB 3.33Å; I3025-L3029 PolarHBondContact O-N 3.25Å; Q3027-L3029 VanDerWaalsContact C-N 3.29Å; Q3027-L3029 PolarHBondContact O-N 3.03Å; L3029-I3032 HydrophobicContact CD1-CG2 4.34Å; L3029-F3042 HydrophobicContact CB-CE2 3.95Å; L3029-F3042 HydrophobicContact CB-CZ 3.82Å; L3029-F3042 HydrophobicContact CD1-CE1 4.15Å; L3029-F3042 HydrophobicContact CD1-CZ 3.86Å; L3029-F3042 HydrophobicContact CD2-CZ 4.34Å; L3029-F3042 HydrophobicContact CG-CZ 4.2Å; L3029-I3072 HydrophobicContact CD2-CB 4.41Å; L3029-I3072 HydrophobicContact CD2-CG1 4.2Å; L3029-I3072 HydrophobicContact CD2-CG2 4.32Å; L3029-H3075 HydrophobicContact CD2-CB 3.77Å; L3029-H3075 HydrophobicContact CG-CB 4.29Å; L3029-H3075 WeakPolarHBondContact CG-ND1 3.37Å; L3029-H3075 PolarHBondContact O-CE1 2.9Å; L3029-K3077 WeakPolarHBondContact O-CD 3.16Å |
| 3030 | Q | 84.4 | Confident | 86.3 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.8 | -32.9 | 169.7 | -75.6 | 168.5 | 35.9 | 0 | 0 | 112.7 | D3026 Q3027 R3028 K3077 | D3026-Q3030 VanDerWaalsContact O-CG 3.31Å; D3026-Q3030 WeakPolarHBondContact O-CG 3.42Å; D3026-Q3030 PolarHBondContact O-N 3.42Å; D3026-Q3030 VanDerWaalsContact O-N 3.07Å; Q3027-Q3030 PolarHBondContact O-N 3.37Å; R3028-Q3030 PolarHBondContact O-N 2.93Å; Q3030-K3077 WeakPolarHBondContact O-CE 3.32Å; Q3030-K3077 PolarHBondContact O-NZ 3.35Å |
| 3031 | Y | 82.5 | Confident | 86.2 | Confident | 150 Ų | 150 | 65.1 Ų | 65.1 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -110 | 3.9 | -174.6 | -66 | -77.6 | 0 | 0 | 0 | 115 | Q3027 R3028 G3033 | Q3027-Y3031 WeakPolarHBondContact O-CD2 3.35Å; Q3027-Y3031 PolarHBondContact O-N 3.36Å; R3028-Y3031 CarbonylContact O-C 3.5Å; R3028-Y3031 PolarHBondContact O-N 2.83Å; Y3031-G3033 PolarHBondContact O-N 3.03Å |
| 3032 | I | 83.7 | Confident | 86.1 | Confident | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | trans | -60.5 | 129.5 | 178.9 | -161.7 | 168 | 0 | 0 | 0 | 111.2 | R3028 L3029 E3038 F3042 K3077 L3082 | R3028-I3032 WeakPolarHBondContact O-CB 3.29Å; R3028-I3032 PolarHBondContact O-N 3.03Å; L3029-I3032 HydrophobicContact CD1-CG2 4.34Å; I3032-E3038 HydrophobicContact CG1-CB 4.41Å; I3032-F3042 HydrophobicContact CD1-CB 3.79Å; I3032-F3042 HydrophobicContact CD1-CD1 3.8Å; I3032-F3042 HydrophobicContact CD1-CD2 4.45Å; I3032-F3042 HydrophobicContact CD1-CE1 4.48Å; I3032-F3042 HydrophobicContact CD1-CG 3.77Å; I3032-K3077 HydrophobicContact CG2-CB 4.12Å; I3032-K3077 HydrophobicContact CG2-CD 4.29Å; I3032-L3082 HydrophobicContact CD1-CD2 3.82Å | ||
| 3033 | G | 80.4 | Confident | 86.1 | Confident | 27 Ų | 27 | 65 Ų | 65 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -83.4 | -159.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y3031 E3038 W3039 | Y3031-G3033 PolarHBondContact O-N 3.03Å; G3033-E3038 WeakPolarHBondContact CA-OE2 3.31Å; G3033-E3038 PolarHBondContact N-OE1 3.39Å; G3033-W3039 PolarHBondContact O-NE1 3.43Å | ||
| 3034 | Q | 77 | Confident | 86.1 | Confident | 184 Ų | 184 | 63.2 Ų | 63.2 | 86% | 0.86 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -109.2 | 6.1 | 178.1 | -64.1 | -176.7 | -0.6 | 0 | 0 | 112.6 | ||
| 3035 | S | 81.8 | Confident | 86.1 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -78.4 | 147.8 | 179.3 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | A3037 E3038 W3039 | S3035-A3037 VanDerWaalsContact C-N 3.32Å; S3035-A3037 PolarHBondContact O-N 3.3Å; S3035-E3038 VanDerWaalsContact CB-OE2 3.3Å; S3035-E3038 WeakPolarHBondContact CB-OE2 3.32Å; S3035-E3038 PolarHBondContact N-OE2 3.21Å; S3035-E3038 PolarHBondContact O-N 3.02Å; S3035-E3038 VanDerWaalsContact OG-CD 3.25Å; S3035-E3038 WeakPolarHBondContact OG-CG 3.39Å; S3035-E3038 PolarHBondContact OG-N 3.13Å; S3035-E3038 PolarHBondContact OG-OE2 3.06Å; S3035-W3039 PolarHBondContact O-N 3.37Å | ||
| 3036 | Q | 82 | Confident | 86.1 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 179.3 | -176.3 | 55 | 41.4 | 0 | 0 | 112 | E3038 W3039 D3040 R3085 | Q3036-E3038 PolarHBondContact O-N 2.82Å; Q3036-W3039 PolarHBondContact O-N 3Å; Q3036-W3039 VanDerWaalsContact O-N 3.16Å; Q3036-D3040 WeakPolarHBondContact CG-OD2 3.33Å; Q3036-D3040 PolarHBondContact NE2-OD1 2.99Å; Q3036-D3040 PolarHBondContact NE2-OD2 3.49Å; Q3036-D3040 VanDerWaalsContact O-CG 3.29Å; Q3036-D3040 PolarHBondContact O-N 3.49Å; Q3036-R3085 VanDerWaalsContact NE2-CZ 3.3Å |
| 3037 | A | 85.3 | Confident | 86.2 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S3035 W3039 D3040 E3041 | S3035-A3037 VanDerWaalsContact C-N 3.32Å; S3035-A3037 PolarHBondContact O-N 3.3Å; A3037-W3039 VanDerWaalsContact C-N 3.28Å; A3037-W3039 PolarHBondContact O-N 3.04Å; A3037-D3040 PolarHBondContact O-N 3.46Å; A3037-E3041 WeakPolarHBondContact O-CB 3.25Å; A3037-E3041 WeakPolarHBondContact O-CG 3.3Å; A3037-E3041 PolarHBondContact O-N 3.42Å |
| 3038 | E | 85.6 | Confident | 86.3 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -32.4 | 175.6 | -70.4 | 167.8 | 111.1 | 0 | 0 | 112.6 | I3032 G3033 S3035 Q3036 F3042 | I3032-E3038 HydrophobicContact CG1-CB 4.41Å; G3033-E3038 WeakPolarHBondContact CA-OE2 3.31Å; G3033-E3038 PolarHBondContact N-OE1 3.39Å; S3035-E3038 VanDerWaalsContact CB-OE2 3.3Å; S3035-E3038 WeakPolarHBondContact CB-OE2 3.32Å; S3035-E3038 PolarHBondContact N-OE2 3.21Å; S3035-E3038 PolarHBondContact O-N 3.02Å; S3035-E3038 VanDerWaalsContact OG-CD 3.25Å; S3035-E3038 WeakPolarHBondContact OG-CG 3.39Å; S3035-E3038 PolarHBondContact OG-N 3.13Å; S3035-E3038 PolarHBondContact OG-OE2 3.06Å; Q3036-E3038 PolarHBondContact O-N 2.82Å; E3038-F3042 VanDerWaalsContact O-CB 3.29Å; E3038-F3042 WeakPolarHBondContact O-CB 3.5Å; E3038-F3042 PolarHBondContact O-N 2.9Å; E3038-F3042 VanDerWaalsContact O-N 3.17Å |
| 3039 | W | 87.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.2 | -41.1 | 176.6 | -69.7 | 18.5 | 0 | 0 | 0 | 111 | G3033 S3035 Q3036 A3037 F3042 V3043 S3079 A3081 L3082 | G3033-W3039 PolarHBondContact O-NE1 3.43Å; S3035-W3039 PolarHBondContact O-N 3.37Å; Q3036-W3039 PolarHBondContact O-N 3Å; Q3036-W3039 VanDerWaalsContact O-N 3.16Å; A3037-W3039 VanDerWaalsContact C-N 3.28Å; A3037-W3039 PolarHBondContact O-N 3.04Å; W3039-F3042 PolarHBondContact O-N 2.75Å; W3039-V3043 WeakPolarHBondContact O-CG2 3.45Å; W3039-V3043 PolarHBondContact O-N 3.07Å; W3039-S3079 VanDerWaalsContact CH2-OG 3.27Å; W3039-S3079 WeakPolarHBondContact CH2-OG 3.5Å; W3039-A3081 HydrophobicContact CH2-CB 4.19Å; W3039-A3081 HydrophobicContact CZ3-CB 3.82Å; W3039-L3082 HydrophobicContact CB-CD1 3.83Å; W3039-L3082 HydrophobicContact CD2-CB 4.23Å; W3039-L3082 HydrophobicContact CD2-CD1 3.93Å; W3039-L3082 HydrophobicContact CE3-CB 3.99Å; W3039-L3082 HydrophobicContact CE3-CD1 4.1Å; W3039-L3082 HydrophobicContact CG-CD1 3.8Å; W3039-L3082 HydrophobicContact CZ3-CB 4.17Å |
| 3040 | D | 87.8 | Confident | 86.6 | Confident | 72 Ų | 72 | 56 Ų | 56 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 177.9 | -63.6 | -29.6 | 0 | 0 | 0 | 110.8 | Q3036 A3037 F3042 V3043 D3044 | Q3036-D3040 WeakPolarHBondContact CG-OD2 3.33Å; Q3036-D3040 PolarHBondContact NE2-OD1 2.99Å; Q3036-D3040 PolarHBondContact NE2-OD2 3.49Å; Q3036-D3040 VanDerWaalsContact O-CG 3.29Å; Q3036-D3040 PolarHBondContact O-N 3.49Å; A3037-D3040 PolarHBondContact O-N 3.46Å; D3040-F3042 VanDerWaalsContact C-N 3.27Å; D3040-F3042 PolarHBondContact O-N 2.8Å; D3040-V3043 PolarHBondContact O-N 3.28Å; D3040-D3044 WeakPolarHBondContact O-CB 3.35Å; D3040-D3044 PolarHBondContact O-N 3.49Å |
| 3041 | E | 88.1 | Confident | 86.8 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.6 | -38.1 | 170 | -78.8 | -174.6 | -178 | 0 | 0 | 113.1 | R3028 A3037 D3044 L3045 | R3028-E3041 IonicContact CZ-OE2 3.89Å; R3028-E3041 IonicContact NH2-OE2 2.81Å; R3028-E3041 PolarHBondContact NH2-OE2 3.15Å; A3037-E3041 WeakPolarHBondContact O-CB 3.25Å; A3037-E3041 WeakPolarHBondContact O-CG 3.3Å; A3037-E3041 PolarHBondContact O-N 3.42Å; E3041-D3044 WeakPolarHBondContact O-CB 3.46Å; E3041-L3045 PolarHBondContact O-N 2.86Å |
| 3042 | F | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.5 | -37.3 | 179.9 | -177.5 | -110 | 0 | 0 | 0 | 112.3 | I3025 R3028 L3029 I3032 E3038 W3039 D3040 L3045 I3046 L3082 I3086 | I3025-F3042 HydrophobicContact CG2-CE2 3.95Å; I3025-F3042 HydrophobicContact CG2-CZ 4.01Å; R3028-F3042 HydrophobicContact CB-CD2 3.99Å; R3028-F3042 HydrophobicContact CB-CE2 4.19Å; R3028-F3042 HydrophobicContact CG-CD2 3.78Å; R3028-F3042 HydrophobicContact CG-CE2 4.45Å; L3029-F3042 HydrophobicContact CB-CE2 3.95Å; L3029-F3042 HydrophobicContact CB-CZ 3.82Å; L3029-F3042 HydrophobicContact CD1-CE1 4.15Å; L3029-F3042 HydrophobicContact CD1-CZ 3.86Å; L3029-F3042 HydrophobicContact CD2-CZ 4.34Å; L3029-F3042 HydrophobicContact CG-CZ 4.2Å; I3032-F3042 HydrophobicContact CD1-CB 3.79Å; I3032-F3042 HydrophobicContact CD1-CD1 3.8Å; I3032-F3042 HydrophobicContact CD1-CD2 4.45Å; I3032-F3042 HydrophobicContact CD1-CE1 4.48Å; I3032-F3042 HydrophobicContact CD1-CG 3.77Å; E3038-F3042 VanDerWaalsContact O-CB 3.29Å; E3038-F3042 WeakPolarHBondContact O-CB 3.5Å; E3038-F3042 PolarHBondContact O-N 2.9Å; E3038-F3042 VanDerWaalsContact O-N 3.17Å; W3039-F3042 PolarHBondContact O-N 2.75Å; D3040-F3042 VanDerWaalsContact C-N 3.27Å; D3040-F3042 PolarHBondContact O-N 2.8Å; F3042-L3045 HydrophobicContact CD2-CD2 4.46Å; F3042-L3045 PolarHBondContact O-N 3.19Å; F3042-I3046 HydrophobicContact CD1-CD1 3.82Å; F3042-I3046 HydrophobicContact CE1-CD1 3.4Å; F3042-I3046 HydrophobicContact CE1-CG1 4.47Å; F3042-I3046 HydrophobicContact CE2-CD1 4.37Å; F3042-I3046 HydrophobicContact CG-CD1 4.48Å; F3042-I3046 HydrophobicContact CZ-CD1 3.71Å; F3042-I3046 HydrophobicContact CZ-CG1 4.45Å; F3042-I3046 WeakPolarHBondContact O-CG1 3.38Å; F3042-I3046 PolarHBondContact O-N 3.23Å; F3042-L3082 HydrophobicContact CD1-CD1 4.23Å; F3042-L3082 HydrophobicContact CD1-CD2 4.2Å; F3042-L3082 HydrophobicContact CE1-CD2 4.25Å; F3042-I3086 HydrophobicContact CE1-CD1 4.12Å |
| 3043 | V | 90.5 | Very high | 87.2 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 169.9 | 171.3 | 0 | 0 | 0 | 0 | 109.7 | W3039 D3040 L3045 I3046 L3047 L3082 R3085 I3086 | W3039-V3043 WeakPolarHBondContact O-CG2 3.45Å; W3039-V3043 PolarHBondContact O-N 3.07Å; D3040-V3043 PolarHBondContact O-N 3.28Å; V3043-L3045 VanDerWaalsContact C-N 3.28Å; V3043-L3045 PolarHBondContact O-N 3.38Å; V3043-I3046 CarbonylContact O-C 3.55Å; V3043-I3046 WeakPolarHBondContact O-CA 3.38Å; V3043-I3046 PolarHBondContact O-N 3.31Å; V3043-L3047 HydrophobicContact CG1-CD1 3.99Å; V3043-L3047 HydrophobicContact CG1-CG 4.2Å; V3043-L3047 WeakPolarHBondContact O-CG 3.36Å; V3043-L3047 PolarHBondContact O-N 2.88Å; V3043-L3082 HydrophobicContact CG2-CD1 4.49Å; V3043-R3085 HydrophobicContact CG2-CB 4.18Å; V3043-I3086 HydrophobicContact CG2-CG1 3.98Å |
| 3044 | D | 89.4 | Confident | 87.5 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.9 | -39.8 | 175.9 | -120.6 | 41.7 | 0 | 0 | 0 | 113 | D3040 E3041 K3048 | D3040-D3044 WeakPolarHBondContact O-CB 3.35Å; D3040-D3044 PolarHBondContact O-N 3.49Å; E3041-D3044 WeakPolarHBondContact O-CB 3.46Å; D3044-K3048 VanDerWaalsContact O-CD 3.23Å; D3044-K3048 WeakPolarHBondContact O-CD 3.42Å; D3044-K3048 WeakPolarHBondContact O-CE 3.5Å; D3044-K3048 VanDerWaalsContact O-CG 3.29Å; D3044-K3048 WeakPolarHBondContact O-CG 3.27Å; D3044-K3048 PolarHBondContact O-N 2.86Å; D3044-K3048 VanDerWaalsContact O-N 3.14Å; D3044-K3048 IonicContact OD2-NZ 3.44Å; D3044-K3048 PolarHBondContact OD2-NZ 2.96Å |
| 3045 | L | 89.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 173.9 | 172.8 | 64 | 0 | 0 | 0 | 112 | F3021 Y3024 I3025 R3028 E3041 F3042 V3043 K3048 A3049 | F3021-L3045 HydrophobicContact CD1-CD1 4.36Å; Y3024-L3045 HydrophobicContact CD1-CD1 3.73Å; Y3024-L3045 HydrophobicContact CD1-CD2 3.59Å; Y3024-L3045 HydrophobicContact CD1-CG 4.32Å; Y3024-L3045 HydrophobicContact CE1-CD1 4.12Å; Y3024-L3045 HydrophobicContact CE1-CD2 3.93Å; I3025-L3045 HydrophobicContact CD1-CG 4.5Å; I3025-L3045 HydrophobicContact CG1-CD2 3.72Å; I3025-L3045 HydrophobicContact CG1-CG 3.82Å; R3028-L3045 HydrophobicContact CB-CD2 4.31Å; E3041-L3045 PolarHBondContact O-N 2.86Å; F3042-L3045 HydrophobicContact CD2-CD2 4.46Å; F3042-L3045 PolarHBondContact O-N 3.19Å; V3043-L3045 VanDerWaalsContact C-N 3.28Å; V3043-L3045 PolarHBondContact O-N 3.38Å; L3045-K3048 PolarHBondContact O-N 3.26Å; L3045-A3049 PolarHBondContact O-N 3.45Å |
| 3046 | I | 91 | Very high | 88.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.8 | -72.3 | 171.2 | 0 | 0 | 0 | 110.9 | I3025 F3042 V3043 K3048 A3049 Y3050 W3065 I3072 I3086 | I3025-I3046 HydrophobicContact CD1-CG1 4.19Å; I3025-I3046 HydrophobicContact CG1-CG1 4.49Å; F3042-I3046 HydrophobicContact CD1-CD1 3.82Å; F3042-I3046 HydrophobicContact CE1-CD1 3.4Å; F3042-I3046 HydrophobicContact CE1-CG1 4.47Å; F3042-I3046 HydrophobicContact CE2-CD1 4.37Å; F3042-I3046 HydrophobicContact CG-CD1 4.48Å; F3042-I3046 HydrophobicContact CZ-CD1 3.71Å; F3042-I3046 HydrophobicContact CZ-CG1 4.45Å; F3042-I3046 WeakPolarHBondContact O-CG1 3.38Å; F3042-I3046 PolarHBondContact O-N 3.23Å; V3043-I3046 CarbonylContact O-C 3.55Å; V3043-I3046 WeakPolarHBondContact O-CA 3.38Å; V3043-I3046 PolarHBondContact O-N 3.31Å; I3046-K3048 VanDerWaalsContact C-N 3.34Å; I3046-K3048 PolarHBondContact O-N 2.96Å; I3046-A3049 PolarHBondContact O-N 3.2Å; I3046-Y3050 WeakPolarHBondContact O-CB 3.41Å; I3046-Y3050 PolarHBondContact O-N 2.82Å; I3046-W3065 HydrophobicContact CG2-CH2 3.76Å; I3046-I3072 HydrophobicContact CD1-CD1 4.07Å; I3046-I3086 HydrophobicContact CD1-CD1 3.7Å; I3046-I3086 HydrophobicContact CD1-CG1 3.89Å; I3046-I3086 HydrophobicContact CD1-CG2 4.41Å; I3046-I3086 HydrophobicContact CG2-CG2 4.12Å |
| 3047 | L | 90.4 | Very high | 88.3 | Confident | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -33.6 | 176.4 | -65 | 178.2 | 0 | 0 | 0 | 112.3 | V3043 Y3050 N3051 G3089 I3090 A3093 | V3043-L3047 HydrophobicContact CG1-CD1 3.99Å; V3043-L3047 HydrophobicContact CG1-CG 4.2Å; V3043-L3047 WeakPolarHBondContact O-CG 3.36Å; V3043-L3047 PolarHBondContact O-N 2.88Å; L3047-Y3050 PolarHBondContact O-N 3.46Å; L3047-N3051 WeakPolarHBondContact O-CB 3.16Å; L3047-N3051 VanDerWaalsContact O-CG 3.28Å; L3047-N3051 PolarHBondContact O-N 2.92Å; L3047-N3051 PolarHBondContact O-ND2 2.9Å; L3047-G3089 VanDerWaalsContact CD2-C 3.46Å; L3047-I3090 HydrophobicContact CD2-CG1 4.12Å; L3047-A3093 HydrophobicContact CD2-CB 4.27Å |
| 3048 | K | 89.9 | Confident | 88.2 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 33% | 0.33 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.6 | -48 | 171 | -70.3 | 154.5 | -163.7 | 151.9 | 0 | 110.9 | L2723 F3021 D3044 L3045 I3046 Y3050 N3051 V3052 | L2723-K3048 HydrophobicContact CD2-CB 4.19Å; L2723-K3048 HydrophobicContact CD2-CD 4.19Å; L2723-K3048 HydrophobicContact CD2-CG 4.44Å; F3021-K3048 HydrophobicContact CE1-CB 4.17Å; D3044-K3048 VanDerWaalsContact O-CD 3.23Å; D3044-K3048 WeakPolarHBondContact O-CD 3.42Å; D3044-K3048 WeakPolarHBondContact O-CE 3.5Å; D3044-K3048 VanDerWaalsContact O-CG 3.29Å; D3044-K3048 WeakPolarHBondContact O-CG 3.27Å; D3044-K3048 PolarHBondContact O-N 2.86Å; D3044-K3048 VanDerWaalsContact O-N 3.14Å; D3044-K3048 IonicContact OD2-NZ 3.44Å; D3044-K3048 PolarHBondContact OD2-NZ 2.96Å; L3045-K3048 PolarHBondContact O-N 3.26Å; I3046-K3048 VanDerWaalsContact C-N 3.34Å; I3046-K3048 PolarHBondContact O-N 2.96Å; K3048-Y3050 VanDerWaalsContact C-N 3.25Å; K3048-Y3050 PolarHBondContact O-N 2.9Å; K3048-N3051 PolarHBondContact O-N 3.19Å; K3048-V3052 WeakPolarHBondContact O-CG2 3.36Å; K3048-V3052 PolarHBondContact O-N 3.07Å |
| 3049 | A | 89.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F3021 I3025 L3045 I3046 V3052 H3053 W3065 | F3021-A3049 HydrophobicContact CB-CB 4.1Å; F3021-A3049 HydrophobicContact CD1-CB 3.64Å; F3021-A3049 HydrophobicContact CE1-CB 4.24Å; F3021-A3049 HydrophobicContact CG-CB 3.97Å; I3025-A3049 HydrophobicContact CD1-CB 3.77Å; L3045-A3049 PolarHBondContact O-N 3.45Å; I3046-A3049 PolarHBondContact O-N 3.2Å; A3049-V3052 PolarHBondContact O-N 2.84Å; A3049-H3053 PolarHBondContact O-N 2.77Å; A3049-W3065 HydrophobicContact CB-CZ3 4.42Å |
| 3050 | Y | 90.5 | Very high | 87.9 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -45.4 | 175.9 | -172.3 | -124.3 | 0 | 0 | 0 | 112.4 | I3046 L3047 K3048 V3052 H3053 L3054 W3065 I3090 D3094 | I3046-Y3050 WeakPolarHBondContact O-CB 3.41Å; I3046-Y3050 PolarHBondContact O-N 2.82Å; L3047-Y3050 PolarHBondContact O-N 3.46Å; K3048-Y3050 VanDerWaalsContact C-N 3.25Å; K3048-Y3050 PolarHBondContact O-N 2.9Å; Y3050-V3052 PolarHBondContact O-N 3.18Å; Y3050-H3053 WeakPolarHBondContact O-CA 3.46Å; Y3050-H3053 WeakPolarHBondContact O-CB 3.47Å; Y3050-H3053 PolarHBondContact O-N 3.46Å; Y3050-L3054 HydrophobicContact CD1-CD1 3.93Å; Y3050-L3054 HydrophobicContact CD1-CG 4.43Å; Y3050-L3054 HydrophobicContact CE1-CD1 3.47Å; Y3050-L3054 VanDerWaalsContact CE1-CD1 3.47Å; Y3050-L3054 HydrophobicContact CE1-CG 4.07Å; Y3050-L3054 HydrophobicContact CE2-CD1 4.45Å; Y3050-L3054 HydrophobicContact CE2-CD2 4.3Å; Y3050-L3054 HydrophobicContact CE2-CG 4.15Å; Y3050-L3054 WeakPolarHBondContact O-CG 3.41Å; Y3050-L3054 PolarHBondContact O-N 3.36Å; Y3050-W3065 AromaticContact CD2-CD2 3.94Å; Y3050-W3065 HydrophobicContact CD2-CD2 3.94Å; Y3050-W3065 AromaticContact CD2-CE2 3.37Å; Y3050-W3065 HydrophobicContact CD2-CE3 4.33Å; Y3050-W3065 AromaticContact CD2-CH2 3.75Å; Y3050-W3065 HydrophobicContact CD2-CH2 3.75Å; Y3050-W3065 AromaticContact CD2-CZ2 3.28Å; Y3050-W3065 HydrophobicContact CD2-CZ2 3.28Å; Y3050-W3065 HydrophobicContact CD2-CZ3 4.24Å; Y3050-W3065 AromaticContact CD2-NE1 3.73Å; Y3050-W3065 HydrophobicContact CE2-CD2 4.49Å; Y3050-W3065 AromaticContact CE2-CE2 3.81Å; Y3050-W3065 HydrophobicContact CE2-CZ2 4.01Å; Y3050-W3065 AromaticContact CE2-NE1 3.64Å; Y3050-W3065 HydrophobicContact CG-CH2 4.02Å; Y3050-W3065 AromaticContact CG-CZ2 3.87Å; Y3050-W3065 HydrophobicContact CG-CZ2 3.87Å; Y3050-I3090 HydrophobicContact CD1-CG2 4.27Å; Y3050-I3090 HydrophobicContact CE1-CG2 3.81Å; Y3050-D3094 WeakPolarHBondContact CE1-OD1 3.43Å; Y3050-D3094 PolarHBondContact OH-OD1 2.91Å; Y3050-D3094 VanDerWaalsContact OH-OD1 3.06Å |
| 3051 | N | 88.8 | Confident | 87.5 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.7 | -36.6 | 174.2 | -73.7 | -28.1 | 0 | 0 | 0 | 112.1 | L3047 K3048 L3054 S3055 | L3047-N3051 WeakPolarHBondContact O-CB 3.16Å; L3047-N3051 VanDerWaalsContact O-CG 3.28Å; L3047-N3051 PolarHBondContact O-N 2.92Å; L3047-N3051 PolarHBondContact O-ND2 2.9Å; K3048-N3051 PolarHBondContact O-N 3.19Å; N3051-L3054 CarbonylContact O-C 3.54Å; N3051-L3054 PolarHBondContact O-N 2.86Å; N3051-S3055 PolarHBondContact O-N 2.9Å; N3051-S3055 VanDerWaalsContact O-N 3.08Å; N3051-S3055 PolarHBondContact O-OG 3.17Å |
| 3052 | V | 87.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 173.4 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | E2726 T3017 F3021 K3048 A3049 Y3050 L3054 S3055 M3056 | E2726-V3052 HydrophobicContact CB-CG2 4.19Å; E2726-V3052 HydrophobicContact CG-CG2 3.67Å; E2726-V3052 WeakPolarHBondContact OE1-CG2 3.2Å; T3017-V3052 HydrophobicContact CG2-CG1 3.86Å; F3021-V3052 HydrophobicContact CD2-CG1 4.42Å; F3021-V3052 HydrophobicContact CE2-CB 4.17Å; F3021-V3052 HydrophobicContact CE2-CG1 4.13Å; F3021-V3052 HydrophobicContact CE2-CG2 3.71Å; F3021-V3052 HydrophobicContact CZ-CG2 3.84Å; K3048-V3052 WeakPolarHBondContact O-CG2 3.36Å; K3048-V3052 PolarHBondContact O-N 3.07Å; A3049-V3052 PolarHBondContact O-N 2.84Å; Y3050-V3052 PolarHBondContact O-N 3.18Å; V3052-L3054 VanDerWaalsContact C-N 3.29Å; V3052-L3054 PolarHBondContact O-N 3.41Å; V3052-S3055 PolarHBondContact O-N 3.04Å; V3052-S3055 PolarHBondContact O-OG 3.29Å; V3052-M3056 HydrophobicContact CG1-CG 3.77Å; V3052-M3056 HydrophobicContact CG1-SD 4.1Å; V3052-M3056 CarbonylContact O-C 3.57Å; V3052-M3056 VanDerWaalsContact O-CG 3.27Å; V3052-M3056 WeakPolarHBondContact O-CG 3.39Å; V3052-M3056 PolarHBondContact O-N 3.08Å; V3052-M3056 VanDerWaalsContact O-O 3.12Å |
| 3053 | H | 86.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 170.7 | 176.2 | 42.8 | 0 | 0 | 0 | 112.7 | A3049 Y3050 S3055 W3065 | A3049-H3053 PolarHBondContact O-N 2.77Å; Y3050-H3053 WeakPolarHBondContact O-CA 3.46Å; Y3050-H3053 WeakPolarHBondContact O-CB 3.47Å; Y3050-H3053 PolarHBondContact O-N 3.46Å; H3053-S3055 VanDerWaalsContact C-N 3.34Å; H3053-W3065 WeakPolarHBondContact CD2-CB 3.44Å; H3053-W3065 AromaticContact CD2-CD1 3.75Å; H3053-W3065 AromaticContact CD2-CG 3.42Å; H3053-W3065 VanDerWaalsContact CD2-CG 3.42Å; H3053-W3065 WeakPolarHBondContact NE2-CB 3.27Å; H3053-W3065 AromaticContact NE2-CD1 3.99Å; H3053-W3065 AromaticContact NE2-CG 3.84Å |
| 3054 | L | 85.9 | Confident | 86.7 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7.3 | 178.4 | -71.5 | -176.3 | 0 | 0 | 0 | 115.2 | Y3050 N3051 V3052 R3097 | Y3050-L3054 HydrophobicContact CD1-CD1 3.93Å; Y3050-L3054 HydrophobicContact CD1-CG 4.43Å; Y3050-L3054 HydrophobicContact CE1-CD1 3.47Å; Y3050-L3054 VanDerWaalsContact CE1-CD1 3.47Å; Y3050-L3054 HydrophobicContact CE1-CG 4.07Å; Y3050-L3054 HydrophobicContact CE2-CD1 4.45Å; Y3050-L3054 HydrophobicContact CE2-CD2 4.3Å; Y3050-L3054 HydrophobicContact CE2-CG 4.15Å; Y3050-L3054 WeakPolarHBondContact O-CG 3.41Å; Y3050-L3054 PolarHBondContact O-N 3.36Å; N3051-L3054 CarbonylContact O-C 3.54Å; N3051-L3054 PolarHBondContact O-N 2.86Å; V3052-L3054 VanDerWaalsContact C-N 3.29Å; V3052-L3054 PolarHBondContact O-N 3.41Å; L3054-R3097 PolarHBondContact O-NH1 2.73Å |
| 3055 | S | 84.7 | Confident | 86.6 | Confident | 73 Ų | 73 | 43 Ų | 43 | 51% | 0.51 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -35.9 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | N3051 V3052 H3053 | N3051-S3055 PolarHBondContact O-N 2.9Å; N3051-S3055 VanDerWaalsContact O-N 3.08Å; N3051-S3055 PolarHBondContact O-OG 3.17Å; V3052-S3055 PolarHBondContact O-N 3.04Å; V3052-S3055 PolarHBondContact O-OG 3.29Å; H3053-S3055 VanDerWaalsContact C-N 3.34Å |
| 3056 | M | 88.2 | Confident | 86.5 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -140.3 | 88.2 | 178.8 | 53 | -177.6 | 78.1 | 0 | 0 | 110 | T2729 S2730 I2733 I3014 T3017 H3018 V3052 A3058 | T2729-M3056 HydrophobicContact CG2-CE 3.89Å; T2729-M3056 HydrophobicContact CG2-SD 3.54Å; T2729-M3056 VanDerWaalsContact CG2-SD 3.54Å; S2730-M3056 WeakPolarHBondContact OG-CE 3.43Å; I2733-M3056 HydrophobicContact CD1-CB 4.47Å; I2733-M3056 HydrophobicContact CD1-CE 4.15Å; I3014-M3056 HydrophobicContact CD1-CB 4.09Å; I3014-M3056 HydrophobicContact CG1-CB 4.06Å; I3014-M3056 HydrophobicContact CG1-SD 4.28Å; I3014-M3056 HydrophobicContact CG2-CB 4.34Å; T3017-M3056 HydrophobicContact CG2-SD 4.5Å; H3018-M3056 PolarHBondContact NE2-O 3.12Å; V3052-M3056 HydrophobicContact CG1-CG 3.77Å; V3052-M3056 HydrophobicContact CG1-SD 4.1Å; V3052-M3056 CarbonylContact O-C 3.57Å; V3052-M3056 VanDerWaalsContact O-CG 3.27Å; V3052-M3056 WeakPolarHBondContact O-CG 3.39Å; V3052-M3056 PolarHBondContact O-N 3.08Å; V3052-M3056 VanDerWaalsContact O-O 3.12Å; M3056-A3058 PolarHBondContact O-N 3.29Å |
| 3057 | P | 86 | Confident | 86.3 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | -63.3 | 138.2 | 179 | 26.1 | -34.1 | 0 | 0 | 0 | 111.1 | I3014 | I3014-P3057 WeakPolarHBondContact CG2-O 3.49Š| ||
| 3058 | A | 83.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | trans | -59.2 | 142.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H3018 M3056 L3063 | H3018-A3058 HydrophobicContact CB-CB 4.3Å; M3056-A3058 PolarHBondContact O-N 3.29Å; A3058-L3063 HydrophobicContact CB-CB 3.78Å | ||
| 3059 | I | 83.3 | Confident | 86.2 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 44% | 0.441 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -97.8 | -32.6 | -178.3 | -61.6 | 171.8 | 0 | 0 | 0 | 110.3 | E3011 N3015 C3061 | E3011-I3059 HydrophobicContact CB-CD1 3.88Å; E3011-I3059 HydrophobicContact CG-CD1 3.5Å; N3015-I3059 PolarHBondContact OD1-N 2.95Å; I3059-C3061 PolarHBondContact O-N 3.43Å |
| 3060 | D | 83.1 | Confident | 86.1 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70 | 124.1 | 166.4 | 175.4 | 15.7 | 0 | 0 | 0 | 110.6 | N3015 G3062 L3063 H3064 | N3015-D3060 PolarHBondContact OD1-N 3Å; N3015-D3060 VanDerWaalsContact OD1-N 3.15Å; D3060-G3062 PolarHBondContact O-N 3.45Å; D3060-G3062 PolarHBondContact OD1-N 2.97Å; D3060-L3063 HydrophobicContact CB-CB 4.32Å; D3060-L3063 HydrophobicContact CB-CD1 4.1Å; D3060-L3063 HydrophobicContact CB-CG 4.19Å; D3060-L3063 PolarHBondContact O-N 3.15Å; D3060-H3064 PolarHBondContact O-CD2 2.84Å; D3060-H3064 PolarHBondContact O-N 3.04Å |
| 3061 | C | 80 | Confident | 86 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -61.7 | -28 | 177 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | I3059 L3063 H3064 N3067 | I3059-C3061 PolarHBondContact O-N 3.43Å; C3061-L3063 PolarHBondContact O-N 2.9Å; C3061-H3064 WeakPolarHBondContact O-CB 3.37Å; C3061-H3064 PolarHBondContact O-N 3.44Å; C3061-N3067 PolarHBondContact O-ND2 2.88Å |
| 3062 | G | 81.8 | Confident | 86 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62 | -32 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D3060 | D3060-G3062 PolarHBondContact O-N 3.45Å; D3060-G3062 PolarHBondContact OD1-N 2.97Å |
| 3063 | L | 84.6 | Confident | 86 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -91.4 | -1.6 | -178 | -65.7 | 176.9 | 0 | 0 | 0 | 114.3 | N3015 H3018 T3019 Q3022 A3058 D3060 C3061 | N3015-L3063 HydrophobicContact CB-CD1 3.8Å; N3015-L3063 WeakPolarHBondContact O-CD1 3.39Å; H3018-L3063 HydrophobicContact CB-CB 4.19Å; H3018-L3063 HydrophobicContact CB-CD1 4.26Å; T3019-L3063 WeakPolarHBondContact OG1-CD1 3.4Å; Q3022-L3063 PolarHBondContact NE2-O 3.45Å; A3058-L3063 HydrophobicContact CB-CB 3.78Å; D3060-L3063 HydrophobicContact CB-CB 4.32Å; D3060-L3063 HydrophobicContact CB-CD1 4.1Å; D3060-L3063 HydrophobicContact CB-CG 4.19Å; D3060-L3063 PolarHBondContact O-N 3.15Å; C3061-L3063 PolarHBondContact O-N 2.9Å |
| 3064 | H | 85.6 | Confident | 86.1 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | trans | -55.4 | 140.5 | 177.3 | -75.2 | -176.8 | 0 | 0 | 0 | 113.5 | D3060 C3061 N3066 N3067 L3068 | D3060-H3064 PolarHBondContact O-CD2 2.84Å; D3060-H3064 PolarHBondContact O-N 3.04Å; C3061-H3064 WeakPolarHBondContact O-CB 3.37Å; C3061-H3064 PolarHBondContact O-N 3.44Å; H3064-N3066 VanDerWaalsContact C-N 3.28Å; H3064-N3066 PolarHBondContact O-N 3.48Å; H3064-N3067 WeakPolarHBondContact O-CB 3.3Å; H3064-N3067 PolarHBondContact O-N 3.27Å; H3064-L3068 PolarHBondContact O-N 3.24Å | ||
| 3065 | W | 87.1 | Confident | 86.2 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -50.3 | -41 | 179.2 | 174.4 | -113.7 | 0 | 0 | 0 | 114.7 | I3046 A3049 Y3050 H3053 N3067 L3068 L3069 I3090 | I3046-W3065 HydrophobicContact CG2-CH2 3.76Å; A3049-W3065 HydrophobicContact CB-CZ3 4.42Å; Y3050-W3065 AromaticContact CD2-CD2 3.94Å; Y3050-W3065 HydrophobicContact CD2-CD2 3.94Å; Y3050-W3065 AromaticContact CD2-CE2 3.37Å; Y3050-W3065 HydrophobicContact CD2-CE3 4.33Å; Y3050-W3065 AromaticContact CD2-CH2 3.75Å; Y3050-W3065 HydrophobicContact CD2-CH2 3.75Å; Y3050-W3065 AromaticContact CD2-CZ2 3.28Å; Y3050-W3065 HydrophobicContact CD2-CZ2 3.28Å; Y3050-W3065 HydrophobicContact CD2-CZ3 4.24Å; Y3050-W3065 AromaticContact CD2-NE1 3.73Å; Y3050-W3065 HydrophobicContact CE2-CD2 4.49Å; Y3050-W3065 AromaticContact CE2-CE2 3.81Å; Y3050-W3065 HydrophobicContact CE2-CZ2 4.01Å; Y3050-W3065 AromaticContact CE2-NE1 3.64Å; Y3050-W3065 HydrophobicContact CG-CH2 4.02Å; Y3050-W3065 AromaticContact CG-CZ2 3.87Å; Y3050-W3065 HydrophobicContact CG-CZ2 3.87Å; H3053-W3065 WeakPolarHBondContact CD2-CB 3.44Å; H3053-W3065 AromaticContact CD2-CD1 3.75Å; H3053-W3065 AromaticContact CD2-CG 3.42Å; H3053-W3065 VanDerWaalsContact CD2-CG 3.42Å; H3053-W3065 WeakPolarHBondContact NE2-CB 3.27Å; H3053-W3065 AromaticContact NE2-CD1 3.99Å; H3053-W3065 AromaticContact NE2-CG 3.84Å; W3065-N3067 PolarHBondContact O-N 3.39Å; W3065-L3068 HydrophobicContact CE3-CD2 4.04Å; W3065-L3068 HydrophobicContact CZ3-CD2 4Å; W3065-L3068 WeakPolarHBondContact O-CB 3.43Å; W3065-L3068 PolarHBondContact O-N 3.46Å; W3065-L3068 VanDerWaalsContact O-N 3.14Å; W3065-L3069 HydrophobicContact CD2-CD1 4.47Å; W3065-L3069 HydrophobicContact CD2-CG 4.26Å; W3065-L3069 HydrophobicContact CH2-CD2 4.24Å; W3065-L3069 HydrophobicContact CZ2-CD1 4.01Å; W3065-L3069 HydrophobicContact CZ2-CD2 3.82Å; W3065-L3069 HydrophobicContact CZ2-CG 3.96Å; W3065-L3069 VanDerWaalsContact NE1-CD1 3.34Å; W3065-L3069 PolarHBondContact O-N 2.83Å; W3065-I3090 HydrophobicContact CZ2-CD1 3.84Å; W3065-I3090 HydrophobicContact CZ2-CG1 4.41Å |
| 3066 | N | 87.1 | Confident | 86.2 | Confident | 112 Ų | 112 | 71.5 Ų | 71.5 | 60% | 0.599 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | 177.8 | -69 | -31.3 | 0 | 0 | 0 | 112.9 | H3064 T3070 | H3064-N3066 VanDerWaalsContact C-N 3.28Å; H3064-N3066 PolarHBondContact O-N 3.48Å; N3066-T3070 VanDerWaalsContact O-CB 3.27Å; N3066-T3070 WeakPolarHBondContact O-CB 3.37Å; N3066-T3070 PolarHBondContact O-N 3.38Å; N3066-T3070 PolarHBondContact O-OG1 3.48Å |
| 3067 | N | 87.6 | Confident | 86 | Confident | 73 Ų | 73 | 76.1 Ų | 76.1 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.9 | -40.6 | 174.9 | -71.2 | -29.4 | 0 | 0 | 0 | 110.9 | C3061 H3064 W3065 T3070 R3071 | C3061-N3067 PolarHBondContact O-ND2 2.88Å; H3064-N3067 WeakPolarHBondContact O-CB 3.3Å; H3064-N3067 PolarHBondContact O-N 3.27Å; W3065-N3067 PolarHBondContact O-N 3.39Å; N3067-T3070 PolarHBondContact O-N 3.26Å; N3067-R3071 WeakPolarHBondContact O-CG 3.39Å; N3067-R3071 PolarHBondContact O-N 2.99Å |
| 3068 | L | 88.3 | Confident | 85.9 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 172.1 | 176.1 | 59.2 | 0 | 0 | 0 | 111.8 | Q3022 I3025 H3064 W3065 T3070 R3071 I3072 | Q3022-L3068 HydrophobicContact CG-CB 4.48Å; Q3022-L3068 HydrophobicContact CG-CD1 4.06Å; Q3022-L3068 HydrophobicContact CG-CD2 4.15Å; Q3022-L3068 HydrophobicContact CG-CG 4.45Å; I3025-L3068 HydrophobicContact CD1-CD2 3.98Å; I3025-L3068 HydrophobicContact CG2-CD1 4.18Å; H3064-L3068 PolarHBondContact O-N 3.24Å; W3065-L3068 HydrophobicContact CE3-CD2 4.04Å; W3065-L3068 HydrophobicContact CZ3-CD2 4Å; W3065-L3068 WeakPolarHBondContact O-CB 3.43Å; W3065-L3068 PolarHBondContact O-N 3.46Å; W3065-L3068 VanDerWaalsContact O-N 3.14Å; L3068-T3070 VanDerWaalsContact C-N 3.27Å; L3068-T3070 PolarHBondContact O-N 2.88Å; L3068-R3071 PolarHBondContact O-N 2.94Å; L3068-R3071 VanDerWaalsContact O-N 3.08Å; L3068-I3072 HydrophobicContact CD1-CD1 3.91Å; L3068-I3072 HydrophobicContact CD1-CG1 4.15Å; L3068-I3072 HydrophobicContact CG-CD1 3.87Å; L3068-I3072 WeakPolarHBondContact O-CG1 3.35Å; L3068-I3072 PolarHBondContact O-N 2.89Å |
| 3069 | L | 88.8 | Confident | 86 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 176.7 | -75.7 | -175.2 | 0 | 0 | 0 | 112.3 | W3065 I3072 R3073 W3083 I3090 | W3065-L3069 HydrophobicContact CD2-CD1 4.47Å; W3065-L3069 HydrophobicContact CD2-CG 4.26Å; W3065-L3069 HydrophobicContact CH2-CD2 4.24Å; W3065-L3069 HydrophobicContact CZ2-CD1 4.01Å; W3065-L3069 HydrophobicContact CZ2-CD2 3.82Å; W3065-L3069 HydrophobicContact CZ2-CG 3.96Å; W3065-L3069 VanDerWaalsContact NE1-CD1 3.34Å; W3065-L3069 PolarHBondContact O-N 2.83Å; L3069-I3072 PolarHBondContact O-N 2.88Å; L3069-R3073 VanDerWaalsContact O-CB 3.32Å; L3069-R3073 WeakPolarHBondContact O-CB 3.47Å; L3069-R3073 PolarHBondContact O-N 3.04Å; L3069-W3083 HydrophobicContact CB-CH2 4.33Å; L3069-W3083 HydrophobicContact CD2-CH2 4.17Å; L3069-W3083 HydrophobicContact CD2-CZ3 4.34Å; L3069-I3090 HydrophobicContact CD2-CD1 4.44Å |
| 3070 | T | 88.6 | Confident | 86.2 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.3 | -63 | 0 | 0 | 0 | 0 | 112.2 | N3066 N3067 L3068 R3074 | N3066-T3070 VanDerWaalsContact O-CB 3.27Å; N3066-T3070 WeakPolarHBondContact O-CB 3.37Å; N3066-T3070 PolarHBondContact O-N 3.38Å; N3066-T3070 PolarHBondContact O-OG1 3.48Å; N3067-T3070 PolarHBondContact O-N 3.26Å; L3068-T3070 VanDerWaalsContact C-N 3.27Å; L3068-T3070 PolarHBondContact O-N 2.88Å; T3070-R3074 WeakPolarHBondContact O-CB 3.28Å; T3070-R3074 WeakPolarHBondContact O-CD 3.24Å; T3070-R3074 VanDerWaalsContact O-CG 3.23Å; T3070-R3074 WeakPolarHBondContact O-CG 3.42Å; T3070-R3074 PolarHBondContact O-N 3.29Å |
| 3071 | R | 87.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 175.1 | -68.6 | -172.2 | -54.4 | 108.4 | -13.7 | 111.6 | D3026 N3067 L3068 R3074 H3075 | D3026-R3071 IonicContact OD1-CZ 3.16Å; D3026-R3071 IonicContact OD1-NH1 2.74Å; D3026-R3071 PolarHBondContact OD1-NH1 3.27Å; D3026-R3071 IonicContact OD2-CZ 3.64Å; D3026-R3071 IonicContact OD2-NH1 3.6Å; D3026-R3071 PolarHBondContact OD2-NH1 3.33Å; D3026-R3071 IonicContact OD2-NH2 2.8Å; D3026-R3071 PolarHBondContact OD2-NH2 3.35Å; D3026-R3071 VanDerWaalsContact OD2-NH2 3.16Å; N3067-R3071 WeakPolarHBondContact O-CG 3.39Å; N3067-R3071 PolarHBondContact O-N 2.99Å; L3068-R3071 PolarHBondContact O-N 2.94Å; L3068-R3071 VanDerWaalsContact O-N 3.08Å; R3071-R3074 PolarHBondContact O-N 3.37Å; R3071-H3075 PolarHBondContact O-N 3.44Å |
| 3072 | I | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 175.5 | -64.4 | 164.7 | 0 | 0 | 0 | 110.5 | I3025 L3029 I3046 L3068 L3069 R3074 H3075 C3078 W3083 I3086 | I3025-I3072 HydrophobicContact CG2-CD1 3.99Å; I3025-I3072 HydrophobicContact CG2-CG1 4.2Å; L3029-I3072 HydrophobicContact CD2-CB 4.41Å; L3029-I3072 HydrophobicContact CD2-CG1 4.2Å; L3029-I3072 HydrophobicContact CD2-CG2 4.32Å; I3046-I3072 HydrophobicContact CD1-CD1 4.07Å; L3068-I3072 HydrophobicContact CD1-CD1 3.91Å; L3068-I3072 HydrophobicContact CD1-CG1 4.15Å; L3068-I3072 HydrophobicContact CG-CD1 3.87Å; L3068-I3072 WeakPolarHBondContact O-CG1 3.35Å; L3068-I3072 PolarHBondContact O-N 2.89Å; L3069-I3072 PolarHBondContact O-N 2.88Å; I3072-R3074 PolarHBondContact O-N 2.94Å; I3072-H3075 WeakPolarHBondContact O-CB 3.45Å; I3072-H3075 PolarHBondContact O-N 3Å; I3072-C3078 VanDerWaalsContact O-CB 3.25Å; I3072-C3078 WeakPolarHBondContact O-CB 3.27Å; I3072-W3083 HydrophobicContact CB-CZ3 4.5Å; I3072-W3083 HydrophobicContact CG2-CE3 4.36Å; I3072-W3083 HydrophobicContact CG2-CZ3 4.17Å; I3072-I3086 HydrophobicContact CG2-CD1 4.14Å |
| 3073 | R | 88.9 | Confident | 87.3 | Confident | 177 Ų | 177 | 71 Ų | 71 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.1 | -26.5 | -179.2 | -173.8 | 177.1 | 173.1 | -171.2 | -1.3 | 113.7 | L3069 W3083 | L3069-R3073 VanDerWaalsContact O-CB 3.32Å; L3069-R3073 WeakPolarHBondContact O-CB 3.47Å; L3069-R3073 PolarHBondContact O-N 3.04Å; R3073-W3083 HydrophobicContact CB-CE3 4.11Å; R3073-W3083 HydrophobicContact CB-CH2 3.88Å; R3073-W3083 HydrophobicContact CB-CZ2 4.27Å; R3073-W3083 HydrophobicContact CB-CZ3 3.79Å; R3073-W3083 HydrophobicContact CG-CD2 4.39Å; R3073-W3083 HydrophobicContact CG-CE3 4.48Å; R3073-W3083 HydrophobicContact CG-CH2 4.38Å; R3073-W3083 HydrophobicContact CG-CZ2 4.26Å; R3073-W3083 HydrophobicContact CG-CZ3 4.48Å |
| 3074 | R | 89 | Confident | 87.5 | Confident | 208 Ų | 208 | 76.2 Ų | 76.2 | 79% | 0.785 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -89.2 | -7.6 | 177.3 | -71 | 175 | -176.6 | -176 | 3.9 | 113.5 | T3070 R3071 I3072 | T3070-R3074 WeakPolarHBondContact O-CB 3.28Å; T3070-R3074 WeakPolarHBondContact O-CD 3.24Å; T3070-R3074 VanDerWaalsContact O-CG 3.23Å; T3070-R3074 WeakPolarHBondContact O-CG 3.42Å; T3070-R3074 PolarHBondContact O-N 3.29Å; R3071-R3074 PolarHBondContact O-N 3.37Å; I3072-R3074 PolarHBondContact O-N 2.94Å |
| 3075 | H | 86.8 | Confident | 87.7 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.9 | 132.1 | -175.6 | -170.7 | -97.3 | 0 | 0 | 0 | 112 | L3029 R3071 I3072 K3077 C3078 | L3029-H3075 HydrophobicContact CD2-CB 3.77Å; L3029-H3075 HydrophobicContact CG-CB 4.29Å; L3029-H3075 WeakPolarHBondContact CG-ND1 3.37Å; L3029-H3075 PolarHBondContact O-CE1 2.9Å; R3071-H3075 PolarHBondContact O-N 3.44Å; I3072-H3075 WeakPolarHBondContact O-CB 3.45Å; I3072-H3075 PolarHBondContact O-N 3Å; H3075-K3077 PolarHBondContact ND1-N 2.91Å; H3075-K3077 PolarHBondContact O-N 2.74Å; H3075-C3078 WeakPolarHBondContact O-CB 3.38Å; H3075-C3078 PolarHBondContact O-N 2.96Å |
| 3076 | Q | 84.8 | Confident | 87.8 | Confident | 198 Ų | 198 | 75.9 Ų | 75.9 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.2 | -173.3 | -168.3 | -178.7 | 11.9 | 0 | 0 | 114.5 | ||
| 3077 | K | 83.4 | Confident | 88 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.1 | 176.2 | -65 | -168.7 | 166.9 | -167.9 | 0 | 114.9 | L3029 Q3030 I3032 H3075 S3079 | L3029-K3077 WeakPolarHBondContact O-CD 3.16Å; Q3030-K3077 WeakPolarHBondContact O-CE 3.32Å; Q3030-K3077 PolarHBondContact O-NZ 3.35Å; I3032-K3077 HydrophobicContact CG2-CB 4.12Å; I3032-K3077 HydrophobicContact CG2-CD 4.29Å; H3075-K3077 PolarHBondContact ND1-N 2.91Å; H3075-K3077 PolarHBondContact O-N 2.74Å; K3077-S3079 PolarHBondContact O-N 3.26Å |
| 3078 | C | 85.5 | Confident | 88.1 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | trans | -77.9 | 93.5 | 177.2 | -165.4 | 0 | 0 | 0 | 0 | 109.9 | I3072 H3075 | I3072-C3078 VanDerWaalsContact O-CB 3.25Å; I3072-C3078 WeakPolarHBondContact O-CB 3.27Å; H3075-C3078 WeakPolarHBondContact O-CB 3.38Å; H3075-C3078 PolarHBondContact O-N 2.96Å | ||
| 3079 | S | 85.8 | Confident | 88.1 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | trans | -66.9 | 152.4 | 175.9 | 77.7 | 0 | 0 | 0 | 0 | 110.9 | W3039 K3077 A3081 L3082 W3083 | W3039-S3079 VanDerWaalsContact CH2-OG 3.27Å; W3039-S3079 WeakPolarHBondContact CH2-OG 3.5Å; K3077-S3079 PolarHBondContact O-N 3.26Å; S3079-A3081 PolarHBondContact O-N 3.15Å; S3079-L3082 PolarHBondContact O-N 3.17Å; S3079-L3082 VanDerWaalsContact O-N 3.08Å; S3079-L3082 WeakPolarHBondContact OG-CB 3.49Å; S3079-L3082 PolarHBondContact OG-N 3.28Å; S3079-W3083 PolarHBondContact O-N 3.03Å | ||
| 3080 | P | 87.3 | Confident | 88.1 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.2 | -33.8 | 174.1 | -27.1 | 35.7 | 0 | 0 | 0 | 113.1 | W3083 Q3084 | P3080-W3083 PolarHBondContact O-N 3.19Å; P3080-Q3084 VanDerWaalsContact O-CG 3.3Å; P3080-Q3084 WeakPolarHBondContact O-CG 3.38Å; P3080-Q3084 PolarHBondContact O-N 3.06Å |
| 3081 | A | 86.5 | Confident | 88.1 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 44% | 0.438 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W3039 S3079 R3085 | W3039-A3081 HydrophobicContact CH2-CB 4.19Å; W3039-A3081 HydrophobicContact CZ3-CB 3.82Å; S3079-A3081 PolarHBondContact O-N 3.15Å; A3081-R3085 PolarHBondContact O-N 2.64Å |
| 3082 | L | 89.3 | Confident | 88 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 172.3 | 179.2 | 61.2 | 0 | 0 | 0 | 111 | I3032 W3039 F3042 V3043 S3079 Q3084 R3085 I3086 | I3032-L3082 HydrophobicContact CD1-CD2 3.82Å; W3039-L3082 HydrophobicContact CB-CD1 3.83Å; W3039-L3082 HydrophobicContact CD2-CB 4.23Å; W3039-L3082 HydrophobicContact CD2-CD1 3.93Å; W3039-L3082 HydrophobicContact CE3-CB 3.99Å; W3039-L3082 HydrophobicContact CE3-CD1 4.1Å; W3039-L3082 HydrophobicContact CG-CD1 3.8Å; W3039-L3082 HydrophobicContact CZ3-CB 4.17Å; F3042-L3082 HydrophobicContact CD1-CD1 4.23Å; F3042-L3082 HydrophobicContact CD1-CD2 4.2Å; F3042-L3082 HydrophobicContact CE1-CD2 4.25Å; V3043-L3082 HydrophobicContact CG2-CD1 4.49Å; S3079-L3082 PolarHBondContact O-N 3.17Å; S3079-L3082 VanDerWaalsContact O-N 3.08Å; S3079-L3082 WeakPolarHBondContact OG-CB 3.49Å; S3079-L3082 PolarHBondContact OG-N 3.28Å; L3082-Q3084 PolarHBondContact O-N 2.74Å; L3082-R3085 PolarHBondContact O-N 3.07Å; L3082-R3085 VanDerWaalsContact O-N 3.15Å; L3082-I3086 HydrophobicContact CD1-CD1 4.46Å; L3082-I3086 HydrophobicContact CG-CD1 4.08Å; L3082-I3086 WeakPolarHBondContact O-CG1 3.43Å; L3082-I3086 PolarHBondContact O-N 3.22Å |
| 3083 | W | 90.8 | Very high | 87.7 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.9 | -177.1 | -104.9 | 0 | 0 | 0 | 112.4 | L3069 I3072 R3073 S3079 P3080 R3085 I3086 L3087 | L3069-W3083 HydrophobicContact CB-CH2 4.33Å; L3069-W3083 HydrophobicContact CD2-CH2 4.17Å; L3069-W3083 HydrophobicContact CD2-CZ3 4.34Å; I3072-W3083 HydrophobicContact CB-CZ3 4.5Å; I3072-W3083 HydrophobicContact CG2-CE3 4.36Å; I3072-W3083 HydrophobicContact CG2-CZ3 4.17Å; R3073-W3083 HydrophobicContact CB-CE3 4.11Å; R3073-W3083 HydrophobicContact CB-CH2 3.88Å; R3073-W3083 HydrophobicContact CB-CZ2 4.27Å; R3073-W3083 HydrophobicContact CB-CZ3 3.79Å; R3073-W3083 HydrophobicContact CG-CD2 4.39Å; R3073-W3083 HydrophobicContact CG-CE3 4.48Å; R3073-W3083 HydrophobicContact CG-CH2 4.38Å; R3073-W3083 HydrophobicContact CG-CZ2 4.26Å; R3073-W3083 HydrophobicContact CG-CZ3 4.48Å; S3079-W3083 PolarHBondContact O-N 3.03Å; P3080-W3083 PolarHBondContact O-N 3.19Å; W3083-R3085 VanDerWaalsContact C-N 3.33Å; W3083-R3085 PolarHBondContact O-N 2.93Å; W3083-I3086 HydrophobicContact CE3-CD1 4.49Å; W3083-I3086 PolarHBondContact O-N 2.92Å; W3083-L3087 HydrophobicContact CZ2-CD1 4.44Å; W3083-L3087 HydrophobicContact CZ2-CD2 4.04Å; W3083-L3087 HydrophobicContact CZ2-CG 4.33Å; W3083-L3087 PolarHBondContact O-N 2.92Å |
| 3084 | Q | 89.6 | Confident | 87.4 | Confident | 125 Ų | 125 | 70 Ų | 70 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 174.2 | -70.4 | -65.6 | -6 | 0 | 0 | 112.5 | P3080 L3082 L3087 A3088 | P3080-Q3084 VanDerWaalsContact O-CG 3.3Å; P3080-Q3084 WeakPolarHBondContact O-CG 3.38Å; P3080-Q3084 PolarHBondContact O-N 3.06Å; L3082-Q3084 PolarHBondContact O-N 2.74Å; Q3084-L3087 PolarHBondContact O-N 2.89Å; Q3084-A3088 VanDerWaalsContact O-CB 3.32Å; Q3084-A3088 WeakPolarHBondContact O-CB 3.11Å; Q3084-A3088 PolarHBondContact O-N 3.34Å |
| 3085 | R | 89.6 | Confident | 87.1 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 37% | 0.366 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 174.5 | -76.4 | -174.6 | 170.3 | 134.5 | -9.8 | 113.4 | Q3036 V3043 A3081 L3082 W3083 G3089 | Q3036-R3085 VanDerWaalsContact NE2-CZ 3.3Å; V3043-R3085 HydrophobicContact CG2-CB 4.18Å; A3081-R3085 PolarHBondContact O-N 2.64Å; L3082-R3085 PolarHBondContact O-N 3.07Å; L3082-R3085 VanDerWaalsContact O-N 3.15Å; W3083-R3085 VanDerWaalsContact C-N 3.33Å; W3083-R3085 PolarHBondContact O-N 2.93Å; R3085-G3089 PolarHBondContact O-N 3.06Å |
| 3086 | I | 90.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 173.4 | -68.7 | 163.7 | 0 | 0 | 0 | 110.1 | F3042 V3043 I3046 I3072 L3082 W3083 G3089 I3090 | F3042-I3086 HydrophobicContact CE1-CD1 4.12Å; V3043-I3086 HydrophobicContact CG2-CG1 3.98Å; I3046-I3086 HydrophobicContact CD1-CD1 3.7Å; I3046-I3086 HydrophobicContact CD1-CG1 3.89Å; I3046-I3086 HydrophobicContact CD1-CG2 4.41Å; I3046-I3086 HydrophobicContact CG2-CG2 4.12Å; I3072-I3086 HydrophobicContact CG2-CD1 4.14Å; L3082-I3086 HydrophobicContact CD1-CD1 4.46Å; L3082-I3086 HydrophobicContact CG-CD1 4.08Å; L3082-I3086 WeakPolarHBondContact O-CG1 3.43Å; L3082-I3086 PolarHBondContact O-N 3.22Å; W3083-I3086 HydrophobicContact CE3-CD1 4.49Å; W3083-I3086 PolarHBondContact O-N 2.92Å; I3086-G3089 PolarHBondContact O-N 3.44Å; I3086-I3090 HydrophobicContact CG2-CD1 3.83Å; I3086-I3090 WeakPolarHBondContact O-CD1 3.25Å; I3086-I3090 VanDerWaalsContact O-CG1 3.31Å; I3086-I3090 WeakPolarHBondContact O-CG1 3.31Å; I3086-I3090 PolarHBondContact O-N 3.36Å |
| 3087 | L | 90.8 | Very high | 86 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 29% | 0.293 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 178.1 | -68.4 | -178.4 | 0 | 0 | 0 | 112.7 | W3083 Q3084 G3089 I3090 Q3091 | W3083-L3087 HydrophobicContact CZ2-CD1 4.44Å; W3083-L3087 HydrophobicContact CZ2-CD2 4.04Å; W3083-L3087 HydrophobicContact CZ2-CG 4.33Å; W3083-L3087 PolarHBondContact O-N 2.92Å; Q3084-L3087 PolarHBondContact O-N 2.89Å; L3087-G3089 VanDerWaalsContact C-N 3.3Å; L3087-G3089 PolarHBondContact O-N 2.81Å; L3087-I3090 PolarHBondContact O-N 3.03Å; L3087-Q3091 WeakPolarHBondContact O-CB 3.32Å; L3087-Q3091 WeakPolarHBondContact O-CG 3.4Å; L3087-Q3091 PolarHBondContact O-N 3.31Å |
| 3088 | A | 89.7 | Confident | 85.3 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q3084 T3092 | Q3084-A3088 VanDerWaalsContact O-CB 3.32Å; Q3084-A3088 WeakPolarHBondContact O-CB 3.11Å; Q3084-A3088 PolarHBondContact O-N 3.34Å; A3088-T3092 WeakPolarHBondContact O-CB 3.33Å; A3088-T3092 PolarHBondContact O-N 3.08Å; A3088-T3092 PolarHBondContact O-OG1 3.14Å |
| 3089 | G | 88.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 13% | 0.134 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L3047 R3085 I3086 L3087 T3092 A3093 | L3047-G3089 VanDerWaalsContact CD2-C 3.46Å; R3085-G3089 PolarHBondContact O-N 3.06Å; I3086-G3089 PolarHBondContact O-N 3.44Å; L3087-G3089 VanDerWaalsContact C-N 3.3Å; L3087-G3089 PolarHBondContact O-N 2.81Å; G3089-T3092 PolarHBondContact O-N 2.94Å; G3089-A3093 PolarHBondContact O-N 3.16Å |
| 3090 | I | 88.5 | Confident | 83.7 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.077 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62 | -50.1 | 178.1 | -67.1 | 159.5 | 0 | 0 | 0 | 110.1 | L3047 Y3050 W3065 L3069 I3086 L3087 T3092 A3093 D3094 | L3047-I3090 HydrophobicContact CD2-CG1 4.12Å; Y3050-I3090 HydrophobicContact CD1-CG2 4.27Å; Y3050-I3090 HydrophobicContact CE1-CG2 3.81Å; W3065-I3090 HydrophobicContact CZ2-CD1 3.84Å; W3065-I3090 HydrophobicContact CZ2-CG1 4.41Å; L3069-I3090 HydrophobicContact CD2-CD1 4.44Å; I3086-I3090 HydrophobicContact CG2-CD1 3.83Å; I3086-I3090 WeakPolarHBondContact O-CD1 3.25Å; I3086-I3090 VanDerWaalsContact O-CG1 3.31Å; I3086-I3090 WeakPolarHBondContact O-CG1 3.31Å; I3086-I3090 PolarHBondContact O-N 3.36Å; L3087-I3090 PolarHBondContact O-N 3.03Å; I3090-T3092 PolarHBondContact O-N 2.91Å; I3090-A3093 WeakPolarHBondContact O-CA 3.47Å; I3090-A3093 WeakPolarHBondContact O-CB 3.39Å; I3090-A3093 PolarHBondContact O-N 2.74Å; I3090-D3094 PolarHBondContact O-N 3.18Å |
| 3091 | Q | 87.9 | Confident | 83.5 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.9 | -37 | 175.2 | -72 | 172.2 | -18.6 | 0 | 0 | 112.7 | L3087 L3095 | L3087-Q3091 WeakPolarHBondContact O-CB 3.32Å; L3087-Q3091 WeakPolarHBondContact O-CG 3.4Å; L3087-Q3091 PolarHBondContact O-N 3.31Å; Q3091-L3095 WeakPolarHBondContact O-CB 3.38Å; Q3091-L3095 PolarHBondContact O-N 3.34Å |
| 3092 | T | 86 | Confident | 83.4 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.9 | -31.5 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | A3088 G3089 I3090 K3096 | A3088-T3092 WeakPolarHBondContact O-CB 3.33Å; A3088-T3092 PolarHBondContact O-N 3.08Å; A3088-T3092 PolarHBondContact O-OG1 3.14Å; G3089-T3092 PolarHBondContact O-N 2.94Å; I3090-T3092 PolarHBondContact O-N 2.91Å; T3092-K3096 HydrophobicContact CG2-CD 4.39Å; T3092-K3096 WeakPolarHBondContact O-CB 3.37Å; T3092-K3096 WeakPolarHBondContact O-CD 3.5Å; T3092-K3096 WeakPolarHBondContact O-CG 3.27Å; T3092-K3096 PolarHBondContact O-N 3.31Å |
| 3093 | A | 82.2 | Confident | 83 | Confident | 21 Ų | 21 | 78.7 Ų | 78.7 | 17% | 0.174 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -73.7 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L3047 G3089 I3090 K3096 R3097 | L3047-A3093 HydrophobicContact CD2-CB 4.27Å; G3089-A3093 PolarHBondContact O-N 3.16Å; I3090-A3093 WeakPolarHBondContact O-CA 3.47Å; I3090-A3093 WeakPolarHBondContact O-CB 3.39Å; I3090-A3093 PolarHBondContact O-N 2.74Å; A3093-K3096 PolarHBondContact O-N 3.04Å; A3093-R3097 PolarHBondContact O-N 3.21Å; A3093-R3097 VanDerWaalsContact O-N 3.16Å |
| 3094 | D | 83.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 81.1 Ų | 81.1 | 34% | 0.342 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 175 | -68.9 | -32.2 | 0 | 0 | 0 | 111.4 | Y3050 I3090 K3096 R3097 S3098 | Y3050-D3094 WeakPolarHBondContact CE1-OD1 3.43Å; Y3050-D3094 PolarHBondContact OH-OD1 2.91Å; Y3050-D3094 VanDerWaalsContact OH-OD1 3.06Å; I3090-D3094 PolarHBondContact O-N 3.18Å; D3094-K3096 VanDerWaalsContact C-N 3.27Å; D3094-K3096 PolarHBondContact O-N 3.3Å; D3094-R3097 WeakPolarHBondContact O-CA 3.23Å; D3094-R3097 PolarHBondContact O-N 3.27Å; D3094-S3098 PolarHBondContact O-N 2.83Å |
| 3095 | L | 82.6 | Confident | 82.1 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.7 | -37.6 | 177.9 | -168.3 | 70.5 | 0 | 0 | 0 | 111.9 | Q3091 R3097 S3098 T3099 | Q3091-L3095 WeakPolarHBondContact O-CB 3.38Å; Q3091-L3095 PolarHBondContact O-N 3.34Å; L3095-R3097 PolarHBondContact O-N 3.23Å; L3095-S3098 PolarHBondContact O-N 3.38Å; L3095-S3098 PolarHBondContact O-OG 2.85Å; L3095-T3099 PolarHBondContact O-N 3.44Å; L3095-T3099 PolarHBondContact O-OG1 3.45Å |
| 3096 | K | 77.7 | Confident | 81.5 | Confident | 150 Ų | 150 | 76.8 Ų | 76.8 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.8 | 174.1 | -77.4 | 174.2 | 179.7 | 179.1 | 0 | 114.5 | T3092 A3093 D3094 | T3092-K3096 HydrophobicContact CG2-CD 4.39Å; T3092-K3096 WeakPolarHBondContact O-CB 3.37Å; T3092-K3096 WeakPolarHBondContact O-CD 3.5Å; T3092-K3096 WeakPolarHBondContact O-CG 3.27Å; T3092-K3096 PolarHBondContact O-N 3.31Å; A3093-K3096 PolarHBondContact O-N 3.04Å; D3094-K3096 VanDerWaalsContact C-N 3.27Å; D3094-K3096 PolarHBondContact O-N 3.3Å |
| 3097 | R | 69.5 | Low | 80.8 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -18.2 | 172.8 | -176 | -178.9 | -92.5 | -142.6 | 3.6 | 111.8 | L3054 A3093 D3094 L3095 | L3054-R3097 PolarHBondContact O-NH1 2.73Å; A3093-R3097 PolarHBondContact O-N 3.21Å; A3093-R3097 VanDerWaalsContact O-N 3.16Å; D3094-R3097 WeakPolarHBondContact O-CA 3.23Å; D3094-R3097 PolarHBondContact O-N 3.27Å; L3095-R3097 PolarHBondContact O-N 3.23Å |
| 3098 | S | 69.4 | Low | 80 | Confident | 93 Ų | 93 | 84.8 Ų | 84.8 | 65% | 0.65 | 46% | 0.463 | S | S | * | . | trans | -88.1 | -4.8 | 171.4 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | D3094 L3095 | D3094-S3098 PolarHBondContact O-N 2.83Å; L3095-S3098 PolarHBondContact O-N 3.38Å; L3095-S3098 PolarHBondContact O-OG 2.85Å | ||
| 3099 | T | 54.5 | Low | 79.1 | Confident | 156 Ų | 156 | 88.4 Ų | 88.4 | 96% | 0.957 | 47% | 0.471 | S | S | * | . | trans | -107.7 | 0 | 172.1 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | L3095 | L3095-T3099 PolarHBondContact O-N 3.44Å; L3095-T3099 PolarHBondContact O-OG1 3.45Å |
Retrieved 3,099 of 3,099 residues in 4843.1 ms
(Link to these results)