| 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 | 32.7 | Very low | 36 | Very low | 238 Ų | 238 | 141.6 Ų | 141.6 | 100% | 1.172 | 79% | 0.793 | S | S | * | * | 0 | 108.3 | 0 | -74.9 | 159.5 | 162.8 | 0 | 0 | 107.2 | |||||
| 2 | N | 32.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | trans | 167 | 74 | 156.3 | -92.1 | 7.7 | 0 | 0 | 0 | 107.1 | ||||
| 3 | S | 34.2 | Very low | 37.7 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -119.9 | 149.5 | 151.4 | -84.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 4 | T | 37.1 | Very low | 38.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | 81.3 | 87.8 | -179.9 | 77.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 5 | D | 39.8 | Very low | 39.6 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | -144.8 | 82 | 128.6 | -84.4 | -36.5 | 0 | 0 | 0 | 107.4 | P7 | D5-P7 WeakPolarHBondContact O-CD 3.29Š| |||
| 6 | I | 35.1 | Very low | 40.8 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | trans | -89.2 | 103.7 | 154.5 | -62.5 | 174.2 | 0 | 0 | 0 | 103.6 | N8 | I6-N8 PolarHBondContact O-N 3.02Š| ||
| 7 | P | 37.2 | Very low | 41.9 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -69.4 | 121.7 | -178.6 | -13.6 | 29.1 | 0 | 0 | 0 | 108.9 | D5 G9 | D5-P7 WeakPolarHBondContact O-CD 3.29Å; P7-G9 PolarHBondContact O-N 3.45Å | ||
| 8 | N | 33.8 | Very low | 43 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 65% | 0.647 | 68% | 0.676 | S | S | * | * | trans | -40.7 | 106.4 | 168.2 | -80 | -41.3 | 0 | 0 | 0 | 112 | I6 N10 K11 | I6-N8 PolarHBondContact O-N 3.02Å; N8-N10 PolarHBondContact O-N 3.11Å; N8-K11 PolarHBondContact O-N 3.18Å | ||
| 9 | G | 35.9 | Very low | 43.9 | Very low | 54 Ų | 54 | 114.9 Ų | 114.9 | 56% | 0.557 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P7 | P7-G9 PolarHBondContact O-N 3.45Š|
| 10 | N | 40.4 | Very low | 44.6 | Very low | 145 Ų | 145 | 113.4 Ų | 113.4 | 78% | 0.775 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -12.8 | -179.5 | -73.7 | 11.3 | 0 | 0 | 0 | 114.5 | N8 | N8-N10 PolarHBondContact O-N 3.11Š|
| 11 | K | 36.8 | Very low | 45.5 | Very low | 155 Ų | 155 | 109.1 Ų | 109.1 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -92.8 | -17 | 179.9 | -74 | -176.1 | 179.2 | 174.4 | 0 | 114.4 | N8 S14 | N8-K11 PolarHBondContact O-N 3.18Å; K11-S14 PolarHBondContact O-OG 3.09Å |
| 12 | T | 44.1 | Very low | 47.4 | Very low | 101 Ų | 101 | 101.1 Ų | 101.1 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -84.9 | -23.4 | 178.4 | 45 | 0 | 0 | 0 | 0 | 112.8 | ||
| 13 | L | 50.7 | Low | 49.2 | Very low | 115 Ų | 115 | 93.1 Ų | 93.1 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -71.8 | -30.8 | -179.8 | -160.9 | 73.5 | 0 | 0 | 0 | 112.6 | L15 | L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.11Å |
| 14 | S | 51.2 | Low | 51 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -79.9 | -7 | -177.4 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | K11 Q217 | K11-S14 PolarHBondContact O-OG 3.09Å; S14-Q217 VanDerWaalsContact C-NE2 3.28Å; S14-Q217 PolarHBondContact O-NE2 3.49Å |
| 15 | L | 52.9 | Low | 53 | Low | 151 Ų | 151 | 86.1 Ų | 86.1 | 79% | 0.791 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -109.6 | -1.1 | 179.5 | -74.4 | 172.9 | 0 | 0 | 0 | 113.5 | L13 | L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.11Å |
| 16 | L | 57.7 | Low | 54.9 | Low | 71 Ų | 71 | 82.1 Ų | 82.1 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -70.8 | 131.3 | 174 | -120.1 | 90 | 0 | 0 | 0 | 109.3 | C18 D20 | L16-C18 PolarHBondContact O-N 3.17Å; L16-D20 HydrophobicContact CD2-CB 3.59Å; L16-D20 HydrophobicContact CG-CB 4.27Å |
| 17 | P | 59.3 | Low | 57 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | trans | -60.2 | 137.9 | 167.6 | 26.5 | -32.1 | 0 | 0 | 0 | 108.7 | S19 D20 | P17-S19 PolarHBondContact O-N 3.29Å; P17-D20 HydrophobicContact CG-CB 4.41Å; P17-D20 VanDerWaalsContact CG-OD2 3.29Å; P17-D20 WeakPolarHBondContact CG-OD2 3.44Å; P17-D20 PolarHBondContact O-N 3.01Å | ||
| 18 | C | 61.8 | Low | 58.9 | Low | 17 Ų | 17 | 78.7 Ų | 78.7 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -55.9 | -19 | -173.4 | -71.3 | 0 | 0 | 0 | 0 | 114.8 | L16 L21 C214 P220 | L16-C18 PolarHBondContact O-N 3.17Å; C18-L21 WeakPolarHBondContact O-CB 3.38Å; C18-L21 PolarHBondContact O-N 3.41Å; C18-C214 HydrophobicContact CB-CB 3.83Å; C18-C214 WeakPolarHBondContact CB-SG 3.06Å; C18-C214 WeakPolarHBondContact SG-CB 3.32Å; C18-C214 CovalentContact SG-SG 2.02Å; C18-C214 PolarHBondContact SG-SG 3.06Å; C18-P220 WeakPolarHBondContact O-CA 3.3Å; C18-P220 WeakPolarHBondContact O-CB 3.38Å |
| 19 | S | 59.8 | Low | 61.2 | Low | 30 Ų | 30 | 73.1 Ų | 73.1 | 21% | 0.21 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -81 | -15.6 | 178.6 | -161 | 0 | 0 | 0 | 0 | 115.5 | P17 L21 P145 | P17-S19 PolarHBondContact O-N 3.29Å; S19-L21 VanDerWaalsContact C-N 3.26Å; S19-P145 VanDerWaalsContact CB-CG 3.44Å; S19-P145 WeakPolarHBondContact OG-CB 3.47Å; S19-P145 WeakPolarHBondContact OG-CD 3.43Å; S19-P145 WeakPolarHBondContact OG-CG 3.26Å |
| 20 | D | 59.3 | Low | 63.5 | Low | 84 Ų | 84 | 75.2 Ų | 75.2 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -89.5 | 1.7 | 173.3 | -65.7 | -15.6 | 0 | 0 | 0 | 111.2 | L16 P17 V22 | L16-D20 HydrophobicContact CD2-CB 3.59Å; L16-D20 HydrophobicContact CG-CB 4.27Å; P17-D20 HydrophobicContact CG-CB 4.41Å; P17-D20 VanDerWaalsContact CG-OD2 3.29Å; P17-D20 WeakPolarHBondContact CG-OD2 3.44Å; P17-D20 PolarHBondContact O-N 3.01Å; D20-V22 PolarHBondContact O-N 3.04Å |
| 21 | L | 63.7 | Low | 65.5 | Low | 24 Ų | 24 | 75.1 Ų | 75.1 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 120.4 | -178.9 | -139.8 | 80.1 | 0 | 0 | 0 | 110.7 | C18 S19 Q217 P220 | C18-L21 WeakPolarHBondContact O-CB 3.38Å; C18-L21 PolarHBondContact O-N 3.41Å; S19-L21 VanDerWaalsContact C-N 3.26Å; L21-Q217 WeakPolarHBondContact CD2-O 3.35Å; L21-P220 HydrophobicContact CB-CB 4.14Å; L21-P220 WeakPolarHBondContact O-CB 3.38Å; L21-P220 WeakPolarHBondContact O-CG 3.45Å |
| 22 | V | 70.9 | Confident | 67.6 | Low | 70 Ų | 70 | 73.7 Ų | 73.7 | 42% | 0.424 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 130.3 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | D20 D142 | D20-V22 PolarHBondContact O-N 3.04Å; V22-D142 VanDerWaalsContact CG2-OD1 3.27Å; V22-D142 WeakPolarHBondContact CG2-OD1 3.26Å |
| 23 | T | 71.6 | Confident | 69.4 | Low | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 123.4 | 172.8 | 27.1 | 0 | 0 | 0 | 0 | 112.2 | P220 Y222 A223 | T23-P220 HydrophobicContact CG2-CG 3.96Å; T23-Y222 WeakPolarHBondContact CB-OH 3.31Å; T23-Y222 HydrophobicContact CG2-CE2 3.77Å; T23-Y222 WeakPolarHBondContact CG2-OH 3.28Å; T23-Y222 PolarHBondContact OG1-OH 3.35Å; T23-A223 HydrophobicContact CG2-CB 3.71Å |
| 24 | P | 72.7 | Confident | 71 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 152.2 | -176.9 | 26.5 | -33.9 | 0 | 0 | 0 | 112 | H28 Y29 L219 | P24-H28 HydrophobicContact CB-CB 4.24Å; P24-Y29 HydrophobicContact CG-CD2 4.42Å; P24-L219 HydrophobicContact CG-CD1 3.96Å |
| 25 | P | 77.7 | Confident | 72.7 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 159.8 | 168.4 | 30.7 | -33.9 | 0 | 0 | 0 | 111 | S27 H28 Y29 | P25-S27 VanDerWaalsContact C-N 3.27Å; P25-S27 PolarHBondContact O-N 3.3Å; P25-S27 VanDerWaalsContact O-N 3.12Å; P25-H28 HydrophobicContact CG-CB 4.26Å; P25-H28 PolarHBondContact O-N 3.44Å; P25-Y29 PolarHBondContact O-N 3.21Å |
| 26 | L | 79.4 | Confident | 74.4 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -47 | -44.7 | -176.6 | 179 | 64.8 | 0 | 0 | 0 | 114 | H28 Y29 W30 V94 V95 | L26-H28 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 3.43Å; L26-W30 VanDerWaalsContact O-CD1 3.25Å; L26-W30 PolarHBondContact O-N 3.4Å; L26-V94 HydrophobicContact CD1-CG1 3.88Å; L26-V94 WeakPolarHBondContact CD1-O 3.39Å; L26-V95 HydrophobicContact CD1-CG2 4.09Å; L26-V95 HydrophobicContact CD2-CG2 4.47Å |
| 27 | S | 80.6 | Confident | 75.8 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.8 | -37.7 | -177.1 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | P25 L31 | P25-S27 VanDerWaalsContact C-N 3.27Å; P25-S27 PolarHBondContact O-N 3.3Å; P25-S27 VanDerWaalsContact O-N 3.12Å; S27-L31 WeakPolarHBondContact O-CD1 3.43Å; S27-L31 WeakPolarHBondContact O-CG 3.45Å |
| 28 | H | 77.8 | Confident | 77.3 | Confident | 117 Ų | 117 | 61.2 Ų | 61.2 | 54% | 0.542 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -78.2 | -34.1 | 178.1 | -117.8 | -76.2 | 0 | 0 | 0 | 111.6 | P24 P25 L26 L31 E32 | P24-H28 HydrophobicContact CB-CB 4.24Å; P25-H28 HydrophobicContact CG-CB 4.26Å; P25-H28 PolarHBondContact O-N 3.44Å; L26-H28 PolarHBondContact O-N 3.4Å; H28-L31 PolarHBondContact O-N 2.95Å; H28-E32 PolarHBondContact O-N 3.33Å |
| 29 | Y | 81.9 | Confident | 78.7 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 178.4 | 177.4 | -114.3 | 0 | 0 | 0 | 111.9 | P24 P25 L26 L31 E32 V33 I41 P96 L219 | P24-Y29 HydrophobicContact CG-CD2 4.42Å; P25-Y29 PolarHBondContact O-N 3.21Å; L26-Y29 PolarHBondContact O-N 3.43Å; Y29-L31 PolarHBondContact O-N 3.09Å; Y29-E32 PolarHBondContact O-N 3.08Å; Y29-V33 HydrophobicContact CE2-CB 4.46Å; Y29-V33 HydrophobicContact CE2-CG2 4.28Å; Y29-V33 VanDerWaalsContact O-CB 3.28Å; Y29-V33 WeakPolarHBondContact O-CB 3.43Å; Y29-V33 PolarHBondContact O-N 3.42Å; Y29-I41 HydrophobicContact CE1-CD1 4.44Å; Y29-P96 HydrophobicContact CD1-CG 3.94Å; Y29-P96 HydrophobicContact CD2-CG 3.71Å; Y29-P96 HydrophobicContact CE1-CG 3.9Å; Y29-P96 HydrophobicContact CE2-CG 3.68Å; Y29-P96 HydrophobicContact CG-CG 3.83Å; Y29-L219 HydrophobicContact CD2-CD1 3.94Å; Y29-L219 HydrophobicContact CE2-CD1 3.9Å; Y29-L219 HydrophobicContact CE2-CD2 4.49Å |
| 30 | W | 83.4 | Confident | 80.2 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 38% | 0.375 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.5 | -15.6 | -178.5 | -74.4 | 107.1 | 0 | 0 | 0 | 115 | L26 V33 T38 I41 V94 | L26-W30 VanDerWaalsContact O-CD1 3.25Å; L26-W30 PolarHBondContact O-N 3.4Å; W30-V33 HydrophobicContact CE3-CG1 3.96Å; W30-T38 HydrophobicContact CZ3-CG2 4.08Å; W30-I41 HydrophobicContact CH2-CD1 4.23Å; W30-I41 HydrophobicContact CH2-CG2 4.17Å; W30-V94 HydrophobicContact CZ2-CB 4.41Å; W30-V94 HydrophobicContact CZ2-CG1 4.08Å; W30-V94 HydrophobicContact CZ2-CG2 4.25Å |
| 31 | L | 81.9 | Confident | 81.7 | Confident | 142 Ų | 142 | 60.3 Ų | 60.3 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -82.6 | -29.4 | 178.6 | -73.5 | 171.6 | 0 | 0 | 0 | 112.9 | S27 H28 Y29 | S27-L31 WeakPolarHBondContact O-CD1 3.43Å; S27-L31 WeakPolarHBondContact O-CG 3.45Å; H28-L31 PolarHBondContact O-N 2.95Å; Y29-L31 PolarHBondContact O-N 3.09Å |
| 32 | E | 81.1 | Confident | 83.2 | Confident | 126 Ų | 126 | 63.2 Ų | 63.2 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -114.4 | -9.4 | -171.8 | -164.2 | 67.4 | -125.4 | 0 | 0 | 112 | H28 Y29 L218 | H28-E32 PolarHBondContact O-N 3.33Å; Y29-E32 PolarHBondContact O-N 3.08Å; E32-L218 HydrophobicContact CB-CD1 3.61Å; E32-L218 HydrophobicContact CB-CD2 3.64Å; E32-L218 HydrophobicContact CB-CG 4.23Å; E32-L218 HydrophobicContact CG-CD1 3.27Å; E32-L218 HydrophobicContact CG-CD2 3.68Å; E32-L218 HydrophobicContact CG-CG 3.98Å; E32-L218 WeakPolarHBondContact O-CD2 3.47Å |
| 33 | V | 82.3 | Confident | 84.3 | Confident | 20 Ų | 20 | 64 Ų | 64 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | -60.8 | 136.4 | -179.7 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | Y29 W30 T37 T38 | Y29-V33 HydrophobicContact CE2-CB 4.46Å; Y29-V33 HydrophobicContact CE2-CG2 4.28Å; Y29-V33 VanDerWaalsContact O-CB 3.28Å; Y29-V33 WeakPolarHBondContact O-CB 3.43Å; Y29-V33 PolarHBondContact O-N 3.42Å; W30-V33 HydrophobicContact CE3-CG1 3.96Å; V33-T37 HydrophobicContact CG2-CG2 3.68Å; V33-T38 VanDerWaalsContact CG1-OG1 3.31Å; V33-T38 WeakPolarHBondContact CG1-OG1 3.2Å | ||
| 34 | D | 84.4 | Confident | 85.3 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | trans | -59.9 | 145.5 | 177.4 | -57.3 | -62.9 | 0 | 0 | 0 | 112.1 | A36 T37 T38 | D34-A36 PolarHBondContact O-N 2.82Å; D34-T37 PolarHBondContact O-N 3.35Å; D34-T38 PolarHBondContact O-N 3.22Å; D34-T38 PolarHBondContact O-OG1 3.09Å; D34-T38 VanDerWaalsContact O-OG1 3.09Å | ||
| 35 | P | 87.1 | Confident | 86.3 | Confident | 113 Ų | 113 | 67.1 Ų | 67.1 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.3 | -31.6 | 176.6 | 24.2 | -33.6 | 0 | 0 | 0 | 112.2 | A39 | P35-A39 WeakPolarHBondContact O-CB 3.45Å; P35-A39 PolarHBondContact O-N 3.07Å |
| 36 | A | 88.7 | Confident | 87.2 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 55% | 0.554 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.9 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D34 T38 A39 L40 | D34-A36 PolarHBondContact O-N 2.82Å; A36-T38 VanDerWaalsContact C-N 3.32Å; A36-T38 PolarHBondContact O-N 2.94Å; A36-A39 PolarHBondContact O-N 3.36Å; A36-L40 WeakPolarHBondContact O-CG 3.46Å; A36-L40 PolarHBondContact O-N 2.95Å |
| 37 | T | 86.9 | Confident | 87.9 | Confident | 28 Ų | 28 | 68 Ų | 68 | 17% | 0.172 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | V33 D34 A39 L40 I41 L227 | V33-T37 HydrophobicContact CG2-CG2 3.68Å; D34-T37 PolarHBondContact O-N 3.35Å; T37-A39 PolarHBondContact O-N 3.22Å; T37-L40 PolarHBondContact O-N 2.97Å; T37-I41 HydrophobicContact CG2-CD1 4.15Å; T37-I41 WeakPolarHBondContact O-CG1 3.46Å; T37-I41 PolarHBondContact O-N 3.13Å; T37-L227 HydrophobicContact CG2-CD2 3.63Å |
| 38 | T | 89.2 | Confident | 88.5 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 173.8 | -61.9 | 0 | 0 | 0 | 0 | 112 | W30 V33 D34 A36 L40 I41 I42 | W30-T38 HydrophobicContact CZ3-CG2 4.08Å; V33-T38 VanDerWaalsContact CG1-OG1 3.31Å; V33-T38 WeakPolarHBondContact CG1-OG1 3.2Å; D34-T38 PolarHBondContact O-N 3.22Å; D34-T38 PolarHBondContact O-OG1 3.09Å; D34-T38 VanDerWaalsContact O-OG1 3.09Å; A36-T38 VanDerWaalsContact C-N 3.32Å; A36-T38 PolarHBondContact O-N 2.94Å; T38-L40 PolarHBondContact O-N 2.89Å; T38-I41 PolarHBondContact O-N 3.47Å; T38-I42 HydrophobicContact CG2-CD1 3.95Å; T38-I42 WeakPolarHBondContact O-CG1 3.18Å; T38-I42 PolarHBondContact O-N 3.5Å |
| 39 | A | 92.6 | Very high | 89.3 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P35 A36 T37 I42 I43 | P35-A39 WeakPolarHBondContact O-CB 3.45Å; P35-A39 PolarHBondContact O-N 3.07Å; A36-A39 PolarHBondContact O-N 3.36Å; T37-A39 PolarHBondContact O-N 3.22Å; A39-I42 PolarHBondContact O-N 3.08Å; A39-I43 VanDerWaalsContact O-CG1 3.28Å; A39-I43 WeakPolarHBondContact O-CG1 3.46Å; A39-I43 PolarHBondContact O-N 3.3Å |
| 40 | L | 91.5 | Very high | 90 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.2 | -70.3 | 173 | 0 | 0 | 0 | 112.2 | A36 T37 T38 I42 I43 S44 W228 L231 | A36-L40 WeakPolarHBondContact O-CG 3.46Å; A36-L40 PolarHBondContact O-N 2.95Å; T37-L40 PolarHBondContact O-N 2.97Å; T38-L40 PolarHBondContact O-N 2.89Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 PolarHBondContact O-N 3.47Å; L40-I43 PolarHBondContact O-N 3.47Å; L40-S44 PolarHBondContact O-N 3.01Å; L40-S44 PolarHBondContact O-OG 3.25Å; L40-W228 HydrophobicContact CD1-CH2 4.43Å; L40-L231 HydrophobicContact CB-CD1 4.16Å; L40-L231 HydrophobicContact CB-CD2 4.07Å; L40-L231 HydrophobicContact CD1-CD1 4.13Å |
| 41 | I | 91.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -47 | 175.7 | -66.2 | 168.8 | 0 | 0 | 0 | 110 | Y29 W30 T37 T38 I43 S44 F45 M93 L227 | Y29-I41 HydrophobicContact CE1-CD1 4.44Å; W30-I41 HydrophobicContact CH2-CD1 4.23Å; W30-I41 HydrophobicContact CH2-CG2 4.17Å; T37-I41 HydrophobicContact CG2-CD1 4.15Å; T37-I41 WeakPolarHBondContact O-CG1 3.46Å; T37-I41 PolarHBondContact O-N 3.13Å; T38-I41 PolarHBondContact O-N 3.47Å; I41-I43 VanDerWaalsContact C-N 3.32Å; I41-I43 PolarHBondContact O-N 3.4Å; I41-S44 PolarHBondContact O-N 2.8Å; I41-S44 VanDerWaalsContact O-N 3.16Å; I41-F45 HydrophobicContact CG2-CD2 3.96Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; I41-F45 WeakPolarHBondContact O-CD2 3.38Å; I41-F45 PolarHBondContact O-N 3.32Å; I41-M93 HydrophobicContact CG1-CB 4.31Å; I41-M93 HydrophobicContact CG2-CB 4.45Å; I41-L227 HydrophobicContact CD1-CD1 4.34Å |
| 42 | I | 93.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 60.3 Ų | 60.3 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 177.7 | -69.1 | 167.2 | 0 | 0 | 0 | 111.1 | T38 A39 L40 S44 F45 F46 | T38-I42 HydrophobicContact CG2-CD1 3.95Å; T38-I42 WeakPolarHBondContact O-CG1 3.18Å; T38-I42 PolarHBondContact O-N 3.5Å; A39-I42 PolarHBondContact O-N 3.08Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 PolarHBondContact O-N 3.47Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-S44 PolarHBondContact O-N 3.35Å; I42-F45 WeakPolarHBondContact O-CB 3.04Å; I42-F45 PolarHBondContact O-N 3.02Å; I42-F46 HydrophobicContact CG2-CD2 3.78Å; I42-F46 HydrophobicContact CG2-CE2 3.47Å; I42-F46 VanDerWaalsContact CG2-CE2 3.47Å; I42-F46 WeakPolarHBondContact O-CD2 3.42Å; I42-F46 PolarHBondContact O-N 2.68Å; I42-F46 VanDerWaalsContact O-N 3.07Å |
| 43 | I | 94.2 | Very high | 91.7 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 176.1 | -69.8 | 164.1 | 0 | 0 | 0 | 110.8 | A39 L40 I41 F45 F46 E47 | A39-I43 VanDerWaalsContact O-CG1 3.28Å; A39-I43 WeakPolarHBondContact O-CG1 3.46Å; A39-I43 PolarHBondContact O-N 3.3Å; L40-I43 PolarHBondContact O-N 3.47Å; I41-I43 VanDerWaalsContact C-N 3.32Å; I41-I43 PolarHBondContact O-N 3.4Å; I43-F45 VanDerWaalsContact C-N 3.29Å; I43-F45 PolarHBondContact O-N 3.36Å; I43-F46 WeakPolarHBondContact O-CB 3.5Å; I43-F46 PolarHBondContact O-N 2.65Å; I43-E47 PolarHBondContact O-N 3.04Å |
| 44 | S | 93.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 176.8 | -64.2 | 0 | 0 | 0 | 0 | 113.3 | L40 I41 I42 E47 A48 L231 | L40-S44 PolarHBondContact O-N 3.01Å; L40-S44 PolarHBondContact O-OG 3.25Å; I41-S44 PolarHBondContact O-N 2.8Å; I41-S44 VanDerWaalsContact O-N 3.16Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-S44 PolarHBondContact O-N 3.35Å; S44-E47 PolarHBondContact O-N 3.17Å; S44-A48 WeakPolarHBondContact O-CB 3.45Å; S44-A48 PolarHBondContact O-N 2.87Å; S44-L231 WeakPolarHBondContact OG-CD2 3.25Å |
| 45 | F | 94.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 171.2 | -87.9 | -84.7 | 0 | 0 | 0 | 112.3 | I41 I42 I43 E47 A48 I49 C90 V94 | I41-F45 HydrophobicContact CG2-CD2 3.96Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; I41-F45 WeakPolarHBondContact O-CD2 3.38Å; I41-F45 PolarHBondContact O-N 3.32Å; I42-F45 WeakPolarHBondContact O-CB 3.04Å; I42-F45 PolarHBondContact O-N 3.02Å; I43-F45 VanDerWaalsContact C-N 3.29Å; I43-F45 PolarHBondContact O-N 3.36Å; F45-E47 VanDerWaalsContact C-N 3.35Å; F45-A48 WeakPolarHBondContact O-CB 3.16Å; F45-A48 PolarHBondContact O-N 3.5Å; F45-I49 WeakPolarHBondContact O-CG1 3.3Å; F45-I49 PolarHBondContact O-N 2.97Å; F45-C90 HydrophobicContact CD1-CB 4.28Å; F45-C90 HydrophobicContact CD2-CB 4.5Å; F45-C90 HydrophobicContact CE1-CB 3.84Å; F45-C90 HydrophobicContact CE2-CB 4.07Å; F45-C90 HydrophobicContact CZ-CB 3.72Å; F45-V94 HydrophobicContact CE2-CG2 3.5Å; F45-V94 VanDerWaalsContact CE2-CG2 3.5Å; F45-V94 HydrophobicContact CZ-CG2 3.49Å; F45-V94 VanDerWaalsContact CZ-CG2 3.49Å |
| 46 | F | 95.1 | Very high | 92.8 | Very high | 131 Ų | 131 | 57.6 Ų | 57.6 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 174 | -78.8 | -69.8 | 0 | 0 | 0 | 111.5 | I42 I43 A48 I49 I50 | I42-F46 HydrophobicContact CG2-CD2 3.78Å; I42-F46 HydrophobicContact CG2-CE2 3.47Å; I42-F46 VanDerWaalsContact CG2-CE2 3.47Å; I42-F46 WeakPolarHBondContact O-CD2 3.42Å; I42-F46 PolarHBondContact O-N 2.68Å; I42-F46 VanDerWaalsContact O-N 3.07Å; I43-F46 WeakPolarHBondContact O-CB 3.5Å; I43-F46 PolarHBondContact O-N 2.65Å; F46-A48 VanDerWaalsContact C-N 3.34Å; F46-A48 PolarHBondContact O-N 3.21Å; F46-I49 PolarHBondContact O-N 3.5Å; F46-I50 WeakPolarHBondContact O-CG1 3.42Å; F46-I50 PolarHBondContact O-N 3.24Å |
| 47 | E | 94 | Very high | 92.9 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 173.9 | -71.2 | -176.4 | 167.4 | 0 | 0 | 111.9 | I43 S44 F45 I49 I50 I51 V234 | I43-E47 PolarHBondContact O-N 3.04Å; S44-E47 PolarHBondContact O-N 3.17Å; F45-E47 VanDerWaalsContact C-N 3.35Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 2.69Å; E47-I50 CarbonylContact O-C 3.58Å; E47-I50 PolarHBondContact O-N 3.33Å; E47-I50 VanDerWaalsContact O-N 3.12Å; E47-I51 VanDerWaalsContact O-CG1 3.25Å; E47-I51 WeakPolarHBondContact O-CG1 3.36Å; E47-I51 PolarHBondContact O-N 3.2Å; E47-V234 HydrophobicContact CB-CG1 3.92Å |
| 48 | A | 94.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S44 F45 F46 I51 L52 S86 | S44-A48 WeakPolarHBondContact O-CB 3.45Å; S44-A48 PolarHBondContact O-N 2.87Å; F45-A48 WeakPolarHBondContact O-CB 3.16Å; F45-A48 PolarHBondContact O-N 3.5Å; F46-A48 VanDerWaalsContact C-N 3.34Å; F46-A48 PolarHBondContact O-N 3.21Å; A48-I51 PolarHBondContact O-N 3.36Å; A48-L52 WeakPolarHBondContact O-CB 3.26Å; A48-L52 PolarHBondContact O-N 2.91Å; A48-S86 VanDerWaalsContact CA-OG 3.23Å; A48-S86 WeakPolarHBondContact CA-OG 3.47Å; A48-S86 WeakPolarHBondContact CB-OG 3.33Å |
| 49 | I | 95.1 | Very high | 93 | Very high | 100 Ų | 100 | 57 Ų | 57 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.3 | -67.5 | 166 | 0 | 0 | 0 | 110.1 | F45 F46 E47 I51 L52 M53 | F45-I49 WeakPolarHBondContact O-CG1 3.3Å; F45-I49 PolarHBondContact O-N 2.97Å; F46-I49 PolarHBondContact O-N 3.5Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 2.69Å; I49-I51 PolarHBondContact O-N 3.47Å; I49-L52 WeakPolarHBondContact O-CB 3.41Å; I49-L52 PolarHBondContact O-N 3.35Å; I49-M53 VanDerWaalsContact O-CG 3.31Å; I49-M53 WeakPolarHBondContact O-CG 3.35Å; I49-M53 PolarHBondContact O-N 3.41Å |
| 50 | I | 94.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 60 Ų | 60 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.3 | -64.1 | 165 | 0 | 0 | 0 | 110.4 | F46 E47 L52 M53 L54 F238 | F46-I50 WeakPolarHBondContact O-CG1 3.42Å; F46-I50 PolarHBondContact O-N 3.24Å; E47-I50 CarbonylContact O-C 3.58Å; E47-I50 PolarHBondContact O-N 3.33Å; E47-I50 VanDerWaalsContact O-N 3.12Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.14Å; I50-M53 PolarHBondContact O-N 3.06Å; I50-M53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 3.95Å; I50-L54 HydrophobicContact CG2-CG 4.17Å; I50-L54 WeakPolarHBondContact O-CB 3.08Å; I50-L54 VanDerWaalsContact O-CG 3.27Å; I50-L54 WeakPolarHBondContact O-CG 3.26Å; I50-L54 PolarHBondContact O-N 2.98Å; I50-F238 HydrophobicContact CG2-CD2 4.17Å; I50-F238 HydrophobicContact CG2-CE2 3.62Å |
| 51 | I | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 176.2 | -68.3 | 165 | 0 | 0 | 0 | 110.7 | E47 A48 I49 L54 F55 F82 P83 V234 C237 F238 L241 | E47-I51 VanDerWaalsContact O-CG1 3.25Å; E47-I51 WeakPolarHBondContact O-CG1 3.36Å; E47-I51 PolarHBondContact O-N 3.2Å; A48-I51 PolarHBondContact O-N 3.36Å; I49-I51 PolarHBondContact O-N 3.47Å; I51-L54 PolarHBondContact O-N 3.12Å; I51-F55 WeakPolarHBondContact O-CB 3.15Å; I51-F55 PolarHBondContact O-N 2.9Å; I51-F82 HydrophobicContact CG2-CB 4.19Å; I51-P83 HydrophobicContact CG2-CB 4.13Å; I51-V234 HydrophobicContact CD1-CG1 4.4Å; I51-C237 HydrophobicContact CD1-CB 3.94Å; I51-F238 HydrophobicContact CD1-CB 3.98Å; I51-F238 HydrophobicContact CG1-CB 4.04Å; I51-F238 HydrophobicContact CG1-CD2 4.18Å; I51-L241 HydrophobicContact CB-CD2 4.41Å; I51-L241 HydrophobicContact CG2-CD2 3.81Å; I51-L241 WeakPolarHBondContact O-CD2 3.46Å |
| 52 | L | 94.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 61.2 Ų | 61.2 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 177.4 | -174.3 | 65.6 | 0 | 0 | 0 | 112 | A48 I49 I50 F55 G56 P83 | A48-L52 WeakPolarHBondContact O-CB 3.26Å; A48-L52 PolarHBondContact O-N 2.91Å; I49-L52 WeakPolarHBondContact O-CB 3.41Å; I49-L52 PolarHBondContact O-N 3.35Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.14Å; L52-F55 PolarHBondContact O-N 3.42Å; L52-G56 PolarHBondContact O-N 3.37Å; L52-P83 HydrophobicContact CD1-CB 4.24Å |
| 53 | M | 94.1 | Very high | 91.9 | Very high | 132 Ų | 132 | 61 Ų | 61 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 175.8 | -68 | -64.1 | -72.4 | 0 | 0 | 111.5 | I49 I50 F55 G56 V57 | I49-M53 VanDerWaalsContact O-CG 3.31Å; I49-M53 WeakPolarHBondContact O-CG 3.35Å; I49-M53 PolarHBondContact O-N 3.41Å; I50-M53 PolarHBondContact O-N 3.06Å; I50-M53 VanDerWaalsContact O-N 3.16Å; M53-F55 VanDerWaalsContact C-N 3.29Å; M53-F55 PolarHBondContact O-N 2.98Å; M53-G56 PolarHBondContact O-N 3.04Å; M53-G56 VanDerWaalsContact O-N 3.14Å; M53-V57 WeakPolarHBondContact O-CG2 3.17Å; M53-V57 PolarHBondContact O-N 2.81Å |
| 54 | L | 92.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 175.7 | -69.2 | 178.6 | 0 | 0 | 0 | 111.6 | I50 I51 V57 C58 F238 L241 M245 | I50-L54 HydrophobicContact CG2-CD1 3.95Å; I50-L54 HydrophobicContact CG2-CG 4.17Å; I50-L54 WeakPolarHBondContact O-CB 3.08Å; I50-L54 VanDerWaalsContact O-CG 3.27Å; I50-L54 WeakPolarHBondContact O-CG 3.26Å; I50-L54 PolarHBondContact O-N 2.98Å; I51-L54 PolarHBondContact O-N 3.12Å; L54-V57 WeakPolarHBondContact O-CB 3.42Å; L54-V57 PolarHBondContact O-N 3.22Å; L54-C58 PolarHBondContact O-N 2.94Å; L54-C58 PolarHBondContact O-SG 3.23Å; L54-F238 HydrophobicContact CD1-CD2 4.35Å; L54-F238 HydrophobicContact CD1-CE2 4.05Å; L54-L241 HydrophobicContact CB-CD2 3.54Å; L54-L241 HydrophobicContact CB-CG 4.12Å; L54-L241 HydrophobicContact CD1-CD2 4.34Å; L54-M245 HydrophobicContact CB-CE 4.06Å; L54-M245 HydrophobicContact CB-SD 4.1Å; L54-M245 HydrophobicContact CD1-CE 3.58Å; L54-M245 HydrophobicContact CD2-CE 3.56Å; L54-M245 HydrophobicContact CD2-SD 3.89Å; L54-M245 HydrophobicContact CG-CE 3.9Å; L54-M245 HydrophobicContact CG-SD 4.41Å |
| 55 | F | 91.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 172.8 | 174 | -108.8 | 0 | 0 | 0 | 111.7 | I51 L52 M53 V57 C58 V59 L76 C79 P83 | I51-F55 WeakPolarHBondContact O-CB 3.15Å; I51-F55 PolarHBondContact O-N 2.9Å; L52-F55 PolarHBondContact O-N 3.42Å; M53-F55 VanDerWaalsContact C-N 3.29Å; M53-F55 PolarHBondContact O-N 2.98Å; F55-V57 VanDerWaalsContact C-N 3.28Å; F55-V57 PolarHBondContact O-N 2.97Å; F55-C58 CarbonylContact O-C 3.6Å; F55-C58 WeakPolarHBondContact O-CA 3.31Å; F55-C58 WeakPolarHBondContact O-CB 3.17Å; F55-C58 PolarHBondContact O-N 2.87Å; F55-C58 VanDerWaalsContact O-N 3.09Å; F55-V59 HydrophobicContact CD1-CG2 4.08Å; F55-V59 HydrophobicContact CD2-CG2 4.26Å; F55-V59 HydrophobicContact CE1-CG2 3.68Å; F55-V59 HydrophobicContact CE2-CG2 3.85Å; F55-V59 HydrophobicContact CG-CG2 4.37Å; F55-V59 HydrophobicContact CZ-CG2 3.55Å; F55-V59 WeakPolarHBondContact O-CG2 3.27Å; F55-V59 PolarHBondContact O-N 2.85Å; F55-L76 HydrophobicContact CE2-CD1 3.92Å; F55-L76 HydrophobicContact CZ-CD1 3.92Å; F55-C79 HydrophobicContact CD2-CB 4.1Å; F55-C79 WeakPolarHBondContact CD2-O 3.46Å; F55-C79 HydrophobicContact CE2-CB 4.11Å; F55-P83 HydrophobicContact CB-CB 4.31Å; F55-P83 HydrophobicContact CB-CG 3.97Å; F55-P83 HydrophobicContact CD1-CG 4.03Å; F55-P83 HydrophobicContact CD2-CG 4.01Å; F55-P83 HydrophobicContact CG-CB 4.47Å; F55-P83 HydrophobicContact CG-CG 3.72Å |
| 56 | G | 92.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L52 M53 V59 H60 | L52-G56 PolarHBondContact O-N 3.37Å; M53-G56 PolarHBondContact O-N 3.04Å; M53-G56 VanDerWaalsContact O-N 3.14Å; G56-V59 PolarHBondContact O-N 3.36Å; G56-H60 PolarHBondContact O-N 3.3Å |
| 57 | V | 91 | Very high | 89.5 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | M53 L54 F55 V59 H60 F61 | M53-V57 WeakPolarHBondContact O-CG2 3.17Å; M53-V57 PolarHBondContact O-N 2.81Å; L54-V57 WeakPolarHBondContact O-CB 3.42Å; L54-V57 PolarHBondContact O-N 3.22Å; F55-V57 VanDerWaalsContact C-N 3.28Å; F55-V57 PolarHBondContact O-N 2.97Å; V57-V59 VanDerWaalsContact C-N 3.35Å; V57-V59 PolarHBondContact O-N 3.45Å; V57-H60 WeakPolarHBondContact O-CB 3.47Å; V57-H60 PolarHBondContact O-N 3.32Å; V57-F61 HydrophobicContact CG1-CD2 3.46Å; V57-F61 VanDerWaalsContact CG1-CD2 3.46Å; V57-F61 HydrophobicContact CG1-CE2 3.4Å; V57-F61 VanDerWaalsContact O-CD2 3.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.32Å; V57-F61 PolarHBondContact O-N 2.91Å |
| 58 | C | 88.4 | Confident | 89 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | L54 F55 H60 F61 I62 M245 | L54-C58 PolarHBondContact O-N 2.94Å; L54-C58 PolarHBondContact O-SG 3.23Å; F55-C58 CarbonylContact O-C 3.6Å; F55-C58 WeakPolarHBondContact O-CA 3.31Å; F55-C58 WeakPolarHBondContact O-CB 3.17Å; F55-C58 PolarHBondContact O-N 2.87Å; F55-C58 VanDerWaalsContact O-N 3.09Å; C58-H60 VanDerWaalsContact C-N 3.31Å; C58-H60 PolarHBondContact O-N 3.34Å; C58-F61 PolarHBondContact O-N 2.85Å; C58-I62 HydrophobicContact CB-CD1 4.42Å; C58-I62 VanDerWaalsContact O-CB 3.32Å; C58-I62 WeakPolarHBondContact O-CB 3.07Å; C58-I62 WeakPolarHBondContact O-CD1 3.4Å; C58-I62 WeakPolarHBondContact O-CG1 3.22Å; C58-I62 PolarHBondContact O-N 3.13Å; C58-M245 WeakPolarHBondContact SG-CG 3.36Å |
| 59 | V | 89.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | F55 G56 V57 I62 T63 L76 | F55-V59 HydrophobicContact CD1-CG2 4.08Å; F55-V59 HydrophobicContact CD2-CG2 4.26Å; F55-V59 HydrophobicContact CE1-CG2 3.68Å; F55-V59 HydrophobicContact CE2-CG2 3.85Å; F55-V59 HydrophobicContact CG-CG2 4.37Å; F55-V59 HydrophobicContact CZ-CG2 3.55Å; F55-V59 WeakPolarHBondContact O-CG2 3.27Å; F55-V59 PolarHBondContact O-N 2.85Å; G56-V59 PolarHBondContact O-N 3.36Å; V57-V59 VanDerWaalsContact C-N 3.35Å; V57-V59 PolarHBondContact O-N 3.45Å; V59-I62 PolarHBondContact O-N 2.81Å; V59-T63 HydrophobicContact CG1-CG2 4.19Å; V59-T63 WeakPolarHBondContact O-CB 3.14Å; V59-T63 WeakPolarHBondContact O-CG2 3.33Å; V59-T63 PolarHBondContact O-N 3.43Å; V59-T63 PolarHBondContact O-OG1 3.36Å; V59-L76 HydrophobicContact CB-CD1 4.01Å; V59-L76 HydrophobicContact CG1-CD1 4.01Å; V59-L76 HydrophobicContact CG2-CD1 3.39Å |
| 60 | H | 87.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 179 | -176.9 | 70.1 | 0 | 0 | 0 | 112 | G56 V57 C58 T63 L64 | G56-H60 PolarHBondContact O-N 3.3Å; V57-H60 WeakPolarHBondContact O-CB 3.47Å; V57-H60 PolarHBondContact O-N 3.32Å; C58-H60 VanDerWaalsContact C-N 3.31Å; C58-H60 PolarHBondContact O-N 3.34Å; H60-T63 PolarHBondContact O-OG1 2.95Å; H60-L64 VanDerWaalsContact CE1-CD1 3.41Å; H60-L64 WeakPolarHBondContact CE1-CD1 3.25Å; H60-L64 VanDerWaalsContact NE2-CD1 3.26Å; H60-L64 WeakPolarHBondContact NE2-CD1 3.32Å; H60-L64 WeakPolarHBondContact O-CB 3.44Å; H60-L64 WeakPolarHBondContact O-CG 3.42Å; H60-L64 PolarHBondContact O-N 2.97Å; H60-L64 VanDerWaalsContact O-N 3.07Å |
| 61 | F | 86.7 | Confident | 87 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.5 | -84.2 | -73.6 | 0 | 0 | 0 | 112.5 | V57 C58 T63 L64 Y65 P250 | V57-F61 HydrophobicContact CG1-CD2 3.46Å; V57-F61 VanDerWaalsContact CG1-CD2 3.46Å; V57-F61 HydrophobicContact CG1-CE2 3.4Å; V57-F61 VanDerWaalsContact O-CD2 3.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.32Å; V57-F61 PolarHBondContact O-N 2.91Å; C58-F61 PolarHBondContact O-N 2.85Å; F61-T63 PolarHBondContact O-N 3.34Å; F61-L64 PolarHBondContact O-N 3.39Å; F61-Y65 HydrophobicContact CB-CD2 4.48Å; F61-Y65 AromaticContact CD1-CD2 3.69Å; F61-Y65 HydrophobicContact CD1-CD2 3.69Å; F61-Y65 AromaticContact CD1-CE2 3.44Å; F61-Y65 HydrophobicContact CD1-CE2 3.44Å; F61-Y65 VanDerWaalsContact CD1-CE2 3.44Å; F61-Y65 HydrophobicContact CE1-CD2 4.48Å; F61-Y65 AromaticContact CE1-CE2 3.81Å; F61-Y65 HydrophobicContact CE1-CE2 3.81Å; F61-Y65 WeakPolarHBondContact O-CB 3.39Å; F61-Y65 VanDerWaalsContact O-CD2 3.3Å; F61-Y65 WeakPolarHBondContact O-CD2 3.47Å; F61-Y65 PolarHBondContact O-N 3.46Å; F61-P250 HydrophobicContact CD1-CG 4.1Å |
| 62 | I | 85.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | -178.8 | -67.8 | 165.9 | 0 | 0 | 0 | 110.5 | C58 V59 L64 V66 A72 L75 | C58-I62 HydrophobicContact CB-CD1 4.42Å; C58-I62 VanDerWaalsContact O-CB 3.32Å; C58-I62 WeakPolarHBondContact O-CB 3.07Å; C58-I62 WeakPolarHBondContact O-CD1 3.4Å; C58-I62 WeakPolarHBondContact O-CG1 3.22Å; C58-I62 PolarHBondContact O-N 3.13Å; V59-I62 PolarHBondContact O-N 2.81Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.45Å; I62-V66 HydrophobicContact CG2-CB 4.5Å; I62-V66 HydrophobicContact CG2-CG2 4.12Å; I62-V66 VanDerWaalsContact O-CB 3.25Å; I62-V66 WeakPolarHBondContact O-CB 3.33Å; I62-V66 WeakPolarHBondContact O-CG2 3.47Å; I62-V66 PolarHBondContact O-N 3.31Å; I62-A72 HydrophobicContact CG2-CB 3.88Å; I62-L75 HydrophobicContact CD1-CB 4.35Å; I62-L75 HydrophobicContact CD1-CD2 3.83Å; I62-L75 HydrophobicContact CD1-CG 3.68Å; I62-L75 HydrophobicContact CG1-CD2 3.75Å; I62-L75 HydrophobicContact CG1-CG 4.19Å; I62-L75 HydrophobicContact CG2-CD2 4.45Å |
| 63 | T | 86.2 | Confident | 86 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.7 | -30.8 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | V59 H60 F61 | V59-T63 HydrophobicContact CG1-CG2 4.19Å; V59-T63 WeakPolarHBondContact O-CB 3.14Å; V59-T63 WeakPolarHBondContact O-CG2 3.33Å; V59-T63 PolarHBondContact O-N 3.43Å; V59-T63 PolarHBondContact O-OG1 3.36Å; H60-T63 PolarHBondContact O-OG1 2.95Å; F61-T63 PolarHBondContact O-N 3.34Å |
| 64 | L | 84.6 | Confident | 85.4 | Confident | 71 Ų | 71 | 61 Ų | 61 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -78.6 | -43.5 | 177.2 | -75.9 | -177.2 | 0 | 0 | 0 | 113.2 | H60 F61 I62 R258 | H60-L64 VanDerWaalsContact CE1-CD1 3.41Å; H60-L64 WeakPolarHBondContact CE1-CD1 3.25Å; H60-L64 VanDerWaalsContact NE2-CD1 3.26Å; H60-L64 WeakPolarHBondContact NE2-CD1 3.32Å; H60-L64 WeakPolarHBondContact O-CB 3.44Å; H60-L64 WeakPolarHBondContact O-CG 3.42Å; H60-L64 PolarHBondContact O-N 2.97Å; H60-L64 VanDerWaalsContact O-N 3.07Å; F61-L64 PolarHBondContact O-N 3.39Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.45Å; L64-R258 WeakPolarHBondContact O-CD 3.08Å |
| 65 | Y | 81.6 | Confident | 84.9 | Confident | 59 Ų | 59 | 60 Ų | 60 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -103.5 | -15.8 | -164.9 | -67.1 | -69.4 | 0 | 0 | 0 | 114.9 | F61 P250 F256 R258 Y259 | F61-Y65 HydrophobicContact CB-CD2 4.48Å; F61-Y65 AromaticContact CD1-CD2 3.69Å; F61-Y65 HydrophobicContact CD1-CD2 3.69Å; F61-Y65 AromaticContact CD1-CE2 3.44Å; F61-Y65 HydrophobicContact CD1-CE2 3.44Å; F61-Y65 VanDerWaalsContact CD1-CE2 3.44Å; F61-Y65 HydrophobicContact CE1-CD2 4.48Å; F61-Y65 AromaticContact CE1-CE2 3.81Å; F61-Y65 HydrophobicContact CE1-CE2 3.81Å; F61-Y65 WeakPolarHBondContact O-CB 3.39Å; F61-Y65 VanDerWaalsContact O-CD2 3.3Å; F61-Y65 WeakPolarHBondContact O-CD2 3.47Å; F61-Y65 PolarHBondContact O-N 3.46Å; Y65-P250 HydrophobicContact CD2-CG 4.32Å; Y65-F256 VanDerWaalsContact CB-CD1 3.42Å; Y65-F256 CarbonylContact O-C 3.59Å; Y65-F256 WeakPolarHBondContact O-CA 3.35Å; Y65-R258 WeakPolarHBondContact O-CB 3.49Å; Y65-R258 PolarHBondContact O-N 3.46Å; Y65-Y259 AromaticContact CD1-CD2 3.73Å; Y65-Y259 HydrophobicContact CD1-CD2 3.73Å; Y65-Y259 HydrophobicContact CD1-CG 4.27Å; Y65-Y259 AromaticContact CE1-CD2 3.44Å; Y65-Y259 HydrophobicContact CE1-CD2 3.44Å; Y65-Y259 VanDerWaalsContact CE1-CD2 3.44Å; Y65-Y259 HydrophobicContact CE1-CE2 4.22Å; Y65-Y259 HydrophobicContact CE1-CG 4.33Å; Y65-Y259 HydrophobicContact CG-CD2 4.44Å; Y65-Y259 AromaticContact CZ-CD2 3.93Å |
| 66 | V | 82.3 | Confident | 84.6 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | trans | -95.3 | 115.5 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | I62 R71 A72 F256 | I62-V66 HydrophobicContact CG2-CB 4.5Å; I62-V66 HydrophobicContact CG2-CG2 4.12Å; I62-V66 VanDerWaalsContact O-CB 3.25Å; I62-V66 WeakPolarHBondContact O-CB 3.33Å; I62-V66 WeakPolarHBondContact O-CG2 3.47Å; I62-V66 PolarHBondContact O-N 3.31Å; V66-R71 HydrophobicContact CG1-CB 3.94Å; V66-A72 HydrophobicContact CB-CB 4.02Å; V66-A72 HydrophobicContact CG1-CB 3.85Å; V66-F256 HydrophobicContact CG2-CD1 3.7Å; V66-F256 HydrophobicContact CG2-CE1 3.72Å | ||
| 67 | S | 78.7 | Confident | 84.2 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | trans | -74.8 | -33.3 | -178.4 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 68 | S | 81.9 | Confident | 83.6 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | trans | -85 | 119.9 | -178 | 165.9 | 0 | 0 | 0 | 0 | 110.5 | L70 R71 A72 | S68-L70 VanDerWaalsContact C-N 3.26Å; S68-L70 PolarHBondContact O-N 3.3Å; S68-R71 VanDerWaalsContact CB-NE 3.27Å; S68-R71 PolarHBondContact O-N 2.85Å; S68-R71 PolarHBondContact OG-N 2.9Å; S68-A72 WeakPolarHBondContact O-CB 3.46Å; S68-A72 PolarHBondContact O-N 3.34Å | ||
| 69 | R | 82.7 | Confident | 83.5 | Confident | 226 Ų | 226 | 66 Ų | 66 | 85% | 0.853 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60 | -35.7 | 177.5 | -65.6 | -175 | -179.3 | -146.4 | 0.9 | 112.2 | S73 | R69-S73 VanDerWaalsContact O-CB 3.22Å; R69-S73 WeakPolarHBondContact O-CB 3.35Å; R69-S73 PolarHBondContact O-N 3.03Å |
| 70 | L | 80.2 | Confident | 83.3 | Confident | 53 Ų | 53 | 64.7 Ų | 64.7 | 28% | 0.277 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.7 | -41.4 | 179.3 | -164 | 60.6 | 0 | 0 | 0 | 112.1 | S68 S73 R74 D288 | S68-L70 VanDerWaalsContact C-N 3.26Å; S68-L70 PolarHBondContact O-N 3.3Å; L70-S73 PolarHBondContact O-N 3.42Å; L70-R74 VanDerWaalsContact CG-CZ 3.49Å; L70-R74 WeakPolarHBondContact O-CB 3.27Å; L70-R74 WeakPolarHBondContact O-CG 3.35Å; L70-R74 PolarHBondContact O-N 2.86Å; L70-R74 PolarHBondContact O-NE 3.07Å; L70-D288 WeakPolarHBondContact CB-OD1 2.89Å; L70-D288 WeakPolarHBondContact CD2-OD1 3.21Å; L70-D288 WeakPolarHBondContact CD2-OD2 2.96Å |
| 71 | R | 79.5 | Confident | 83.1 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 172.6 | -71.9 | -172.9 | -80.9 | 156.3 | 1.8 | 111.5 | V66 S68 S73 R74 L75 D257 | V66-R71 HydrophobicContact CG1-CB 3.94Å; S68-R71 VanDerWaalsContact CB-NE 3.27Å; S68-R71 PolarHBondContact O-N 2.85Å; S68-R71 PolarHBondContact OG-N 2.9Å; R71-S73 PolarHBondContact O-N 3.18Å; R71-R74 PolarHBondContact O-N 3.09Å; R71-L75 WeakPolarHBondContact O-CB 3.45Å; R71-L75 PolarHBondContact O-N 3.03Å; R71-D257 IonicContact CZ-OD2 3.97Å; R71-D257 IonicContact NH1-OD1 3.42Å; R71-D257 PolarHBondContact NH1-OD1 3.49Å; R71-D257 IonicContact NH1-OD2 3.2Å; R71-D257 PolarHBondContact NH1-OD2 3.28Å; R71-D257 IonicContact NH2-OD1 3.02Å; R71-D257 IonicContact NH2-OD2 3.96Å; R71-D257 PolarHBondContact NH2-OD2 2.92Å |
| 72 | A | 84.6 | Confident | 83.2 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I62 V66 S68 L75 L76 | I62-A72 HydrophobicContact CG2-CB 3.88Å; V66-A72 HydrophobicContact CB-CB 4.02Å; V66-A72 HydrophobicContact CG1-CB 3.85Å; S68-A72 WeakPolarHBondContact O-CB 3.46Å; S68-A72 PolarHBondContact O-N 3.34Å; A72-L75 PolarHBondContact O-N 2.75Å; A72-L76 WeakPolarHBondContact O-CB 3.3Å; A72-L76 PolarHBondContact O-N 3.12Å |
| 73 | S | 84.1 | Confident | 83.5 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 177 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | R69 L70 R71 L75 L76 W77 | R69-S73 VanDerWaalsContact O-CB 3.22Å; R69-S73 WeakPolarHBondContact O-CB 3.35Å; R69-S73 PolarHBondContact O-N 3.03Å; L70-S73 PolarHBondContact O-N 3.42Å; R71-S73 PolarHBondContact O-N 3.18Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 2.94Å; S73-L76 PolarHBondContact O-N 3.15Å; S73-W77 WeakPolarHBondContact O-CB 3.12Å; S73-W77 PolarHBondContact O-N 3.3Å |
| 74 | R | 81.8 | Confident | 83.7 | Confident | 118 Ų | 118 | 56.2 Ų | 56.2 | 45% | 0.445 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.3 | -73.4 | -177.6 | -74.1 | -137.6 | -4.5 | 112.4 | L70 R71 L78 D288 | L70-R74 VanDerWaalsContact CG-CZ 3.49Å; L70-R74 WeakPolarHBondContact O-CB 3.27Å; L70-R74 WeakPolarHBondContact O-CG 3.35Å; L70-R74 PolarHBondContact O-N 2.86Å; L70-R74 PolarHBondContact O-NE 3.07Å; R71-R74 PolarHBondContact O-N 3.09Å; R74-L78 PolarHBondContact O-N 3.42Å; R74-L78 VanDerWaalsContact O-N 3.12Å; R74-D288 IonicContact CZ-OD2 2.69Å; R74-D288 IonicContact NH2-OD2 3.34Å; R74-D288 PolarHBondContact NH2-OD2 3.31Å |
| 75 | L | 80.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 178.4 | -173.6 | 60.6 | 0 | 0 | 0 | 112 | I62 R71 A72 S73 W77 L78 C79 M184 M255 | I62-L75 HydrophobicContact CD1-CB 4.35Å; I62-L75 HydrophobicContact CD1-CD2 3.83Å; I62-L75 HydrophobicContact CD1-CG 3.68Å; I62-L75 HydrophobicContact CG1-CD2 3.75Å; I62-L75 HydrophobicContact CG1-CG 4.19Å; I62-L75 HydrophobicContact CG2-CD2 4.45Å; R71-L75 WeakPolarHBondContact O-CB 3.45Å; R71-L75 PolarHBondContact O-N 3.03Å; A72-L75 PolarHBondContact O-N 2.75Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 2.94Å; L75-W77 VanDerWaalsContact C-N 3.34Å; L75-W77 PolarHBondContact O-N 3.46Å; L75-L78 HydrophobicContact CD1-CD2 4.4Å; L75-L78 WeakPolarHBondContact O-CB 3.26Å; L75-L78 PolarHBondContact O-N 3.01Å; L75-C79 PolarHBondContact O-N 3.33Å; L75-C79 PolarHBondContact O-SG 3.14Å; L75-M184 HydrophobicContact CD2-CE 4.31Å; L75-M255 HydrophobicContact CD2-SD 3.89Å |
| 76 | L | 86.1 | Confident | 84.3 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -41.3 | 175.9 | -177.7 | 64.6 | 0 | 0 | 0 | 111.5 | F55 V59 A72 S73 L78 C79 G80 | F55-L76 HydrophobicContact CE2-CD1 3.92Å; F55-L76 HydrophobicContact CZ-CD1 3.92Å; V59-L76 HydrophobicContact CB-CD1 4.01Å; V59-L76 HydrophobicContact CG1-CD1 4.01Å; V59-L76 HydrophobicContact CG2-CD1 3.39Å; A72-L76 WeakPolarHBondContact O-CB 3.3Å; A72-L76 PolarHBondContact O-N 3.12Å; S73-L76 PolarHBondContact O-N 3.15Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 3.47Å; L76-C79 PolarHBondContact O-N 2.72Å; L76-G80 PolarHBondContact O-N 3.4Å |
| 77 | W | 83.7 | Confident | 84.8 | Confident | 178 Ų | 178 | 53 Ų | 53 | 67% | 0.674 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 172.9 | -87.9 | 108.1 | 0 | 0 | 0 | 112.2 | S73 L75 G80 | S73-W77 WeakPolarHBondContact O-CB 3.12Å; S73-W77 PolarHBondContact O-N 3.3Å; L75-W77 VanDerWaalsContact C-N 3.34Å; L75-W77 PolarHBondContact O-N 3.46Å; W77-G80 PolarHBondContact O-N 3Å |
| 78 | L | 79.6 | Confident | 85.4 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 175.6 | -168 | 84.2 | 0 | 0 | 0 | 111.4 | R74 L75 L76 G80 I81 F82 M191 | R74-L78 PolarHBondContact O-N 3.42Å; R74-L78 VanDerWaalsContact O-N 3.12Å; L75-L78 HydrophobicContact CD1-CD2 4.4Å; L75-L78 WeakPolarHBondContact O-CB 3.26Å; L75-L78 PolarHBondContact O-N 3.01Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 3.47Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 2.8Å; L78-I81 WeakPolarHBondContact O-CB 3.22Å; L78-I81 WeakPolarHBondContact O-CG2 3.22Å; L78-I81 PolarHBondContact O-N 3.24Å; L78-F82 WeakPolarHBondContact O-CE2 3.05Å; L78-M191 HydrophobicContact CD2-CG 4.3Å |
| 79 | C | 84.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -30.6 | 177.7 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | F55 L75 L76 I81 F82 P83 | F55-C79 HydrophobicContact CD2-CB 4.1Å; F55-C79 WeakPolarHBondContact CD2-O 3.46Å; F55-C79 HydrophobicContact CE2-CB 4.11Å; L75-C79 PolarHBondContact O-N 3.33Å; L75-C79 PolarHBondContact O-SG 3.14Å; L76-C79 PolarHBondContact O-N 2.72Å; C79-I81 PolarHBondContact O-N 3.13Å; C79-F82 WeakPolarHBondContact O-CD2 3.46Å; C79-P83 WeakPolarHBondContact O-CD 3.46Å |
| 80 | G | 86.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L76 W77 L78 R109 | L76-G80 PolarHBondContact O-N 3.4Å; W77-G80 PolarHBondContact O-N 3Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 2.8Å; G80-R109 PolarHBondContact O-NH1 3.43Å |
| 81 | I | 84.3 | Confident | 86.8 | Confident | 22 Ų | 22 | 41 Ų | 41 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 177.2 | -149.5 | -178.5 | 0 | 0 | 0 | 111.5 | L78 C79 Y85 R109 N110 I113 | L78-I81 WeakPolarHBondContact O-CB 3.22Å; L78-I81 WeakPolarHBondContact O-CG2 3.22Å; L78-I81 PolarHBondContact O-N 3.24Å; C79-I81 PolarHBondContact O-N 3.13Å; I81-Y85 WeakPolarHBondContact O-CB 3.35Å; I81-Y85 PolarHBondContact O-N 3.03Å; I81-R109 PolarHBondContact O-NH1 3.47Å; I81-R109 PolarHBondContact O-NH2 3.14Å; I81-N110 WeakPolarHBondContact CD1-OD1 3.42Å; I81-I113 HydrophobicContact CB-CD1 4.45Å; I81-I113 HydrophobicContact CD1-CD1 3.25Å; I81-I113 HydrophobicContact CG1-CD1 3.84Å |
| 82 | F | 88.4 | Confident | 87.2 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -54 | -174.8 | -51.8 | -69.5 | 0 | 0 | 0 | 113.6 | I51 L78 C79 V84 Y85 S86 M191 C237 M240 L241 | I51-F82 HydrophobicContact CG2-CB 4.19Å; L78-F82 WeakPolarHBondContact O-CE2 3.05Å; C79-F82 WeakPolarHBondContact O-CD2 3.46Å; F82-V84 PolarHBondContact O-N 3.48Å; F82-Y85 WeakPolarHBondContact O-CB 3.14Å; F82-Y85 PolarHBondContact O-N 2.95Å; F82-Y85 VanDerWaalsContact O-N 3.16Å; F82-S86 WeakPolarHBondContact O-CB 3.43Å; F82-S86 PolarHBondContact O-N 3.33Å; F82-M191 HydrophobicContact CE1-CE 4.12Å; F82-M191 HydrophobicContact CE1-SD 3.91Å; F82-M191 HydrophobicContact CE2-CE 3.59Å; F82-M191 HydrophobicContact CE2-SD 4.28Å; F82-M191 HydrophobicContact CZ-CE 3.2Å; F82-M191 HydrophobicContact CZ-SD 3.32Å; F82-M191 WeakPolarHBondContact CZ-SD 3.32Å; F82-C237 HydrophobicContact CB-CB 4.47Å; F82-C237 HydrophobicContact CD1-CB 4.48Å; F82-M240 HydrophobicContact CD1-CB 4.16Å; F82-M240 HydrophobicContact CE1-CB 3.78Å; F82-L241 HydrophobicContact CD2-CB 4.48Å; F82-L241 HydrophobicContact CD2-CD1 4Å; F82-L241 HydrophobicContact CG-CB 4.38Å |
| 83 | P | 91.6 | Very high | 87.4 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | -176.7 | 24.9 | -35.9 | 0 | 0 | 0 | 112.2 | I51 L52 F55 C79 Y85 S86 T87 | I51-P83 HydrophobicContact CG2-CB 4.13Å; L52-P83 HydrophobicContact CD1-CB 4.24Å; F55-P83 HydrophobicContact CB-CB 4.31Å; F55-P83 HydrophobicContact CB-CG 3.97Å; F55-P83 HydrophobicContact CD1-CG 4.03Å; F55-P83 HydrophobicContact CD2-CG 4.01Å; F55-P83 HydrophobicContact CG-CB 4.47Å; F55-P83 HydrophobicContact CG-CG 3.72Å; C79-P83 WeakPolarHBondContact O-CD 3.46Å; P83-Y85 VanDerWaalsContact C-N 3.28Å; P83-Y85 PolarHBondContact O-N 3.01Å; P83-S86 PolarHBondContact O-N 2.88Å; P83-T87 WeakPolarHBondContact O-CG2 3.21Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-T87 PolarHBondContact O-OG1 2.84Å |
| 84 | V | 89.5 | Confident | 87.6 | Confident | 56 Ų | 56 | 37 Ų | 37 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.6 | -29.5 | 179.3 | 175 | 0 | 0 | 0 | 0 | 111.3 | F82 T87 V88 R109 | F82-V84 PolarHBondContact O-N 3.48Å; V84-T87 WeakPolarHBondContact CA-OG1 3.2Å; V84-T87 PolarHBondContact O-OG1 3.43Å; V84-T87 VanDerWaalsContact O-OG1 3.1Å; V84-V88 HydrophobicContact CG1-CG2 4.3Å; V84-V88 WeakPolarHBondContact O-CB 3.26Å; V84-V88 WeakPolarHBondContact O-CG2 3.42Å; V84-V88 PolarHBondContact O-N 3.16Å; V84-V88 VanDerWaalsContact O-N 3.07Å; V84-R109 VanDerWaalsContact CG1-NE 3.27Å; V84-R109 VanDerWaalsContact CG1-NH1 3.32Å |
| 85 | Y | 88.8 | Confident | 87.8 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -48.7 | 174.7 | -159.8 | -58.8 | 0 | 0 | 0 | 109.1 | I81 F82 P83 T87 V88 S89 V106 Y198 V233 | I81-Y85 WeakPolarHBondContact O-CB 3.35Å; I81-Y85 PolarHBondContact O-N 3.03Å; F82-Y85 WeakPolarHBondContact O-CB 3.14Å; F82-Y85 PolarHBondContact O-N 2.95Å; F82-Y85 VanDerWaalsContact O-N 3.16Å; P83-Y85 VanDerWaalsContact C-N 3.28Å; P83-Y85 PolarHBondContact O-N 3.01Å; Y85-T87 PolarHBondContact O-N 2.67Å; Y85-V88 PolarHBondContact O-N 3.49Å; Y85-S89 VanDerWaalsContact CD1-OG 3.3Å; Y85-S89 WeakPolarHBondContact CD1-OG 3.23Å; Y85-S89 WeakPolarHBondContact CE1-OG 3.32Å; Y85-S89 VanDerWaalsContact O-CB 3.32Å; Y85-S89 WeakPolarHBondContact O-CB 3.41Å; Y85-S89 PolarHBondContact O-N 3.49Å; Y85-S89 PolarHBondContact O-OG 3.01Å; Y85-V106 HydrophobicContact CD1-CG2 4.34Å; Y85-V106 HydrophobicContact CD2-CB 4.48Å; Y85-V106 HydrophobicContact CD2-CG1 3.63Å; Y85-V106 HydrophobicContact CD2-CG2 4.05Å; Y85-V106 HydrophobicContact CE1-CG1 4.46Å; Y85-V106 HydrophobicContact CE1-CG2 3.94Å; Y85-V106 HydrophobicContact CE2-CB 4Å; Y85-V106 HydrophobicContact CE2-CG1 2.97Å; Y85-V106 HydrophobicContact CE2-CG2 3.82Å; Y85-V106 HydrophobicContact CG-CG2 4.28Å; Y85-V106 VanDerWaalsContact CZ-CG1 3.4Å; Y85-V106 WeakPolarHBondContact OH-CG1 3.43Å; Y85-Y198 HydrophobicContact CE1-CE2 4.42Å; Y85-Y198 HydrophobicContact CE2-CE1 4.33Å; Y85-Y198 HydrophobicContact CE2-CE2 4.28Å; Y85-Y198 AromaticContact CZ-CE2 3.65Å; Y85-Y198 AromaticContact CZ-CZ 3.71Å; Y85-Y198 WeakPolarHBondContact OH-CE2 3.4Å; Y85-Y198 PolarHBondContact OH-OH 3.44Å; Y85-V233 HydrophobicContact CD1-CG1 3.44Å; Y85-V233 VanDerWaalsContact CD1-CG1 3.44Å; Y85-V233 HydrophobicContact CE1-CB 4.25Å; Y85-V233 HydrophobicContact CE1-CG1 3.02Å; Y85-V233 HydrophobicContact CE2-CG1 4.44Å; Y85-V233 HydrophobicContact CG-CG1 4.45Å |
| 86 | S | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | A48 F82 P83 S89 C90 | A48-S86 VanDerWaalsContact CA-OG 3.23Å; A48-S86 WeakPolarHBondContact CA-OG 3.47Å; A48-S86 WeakPolarHBondContact CB-OG 3.33Å; F82-S86 WeakPolarHBondContact O-CB 3.43Å; F82-S86 PolarHBondContact O-N 3.33Å; P83-S86 PolarHBondContact O-N 2.88Å; S86-S89 PolarHBondContact O-N 3.34Å; S86-C90 PolarHBondContact O-N 3.36Å; S86-C90 PolarHBondContact O-SG 3.02Å |
| 87 | T | 91.5 | Very high | 87.4 | Confident | 61 Ų | 61 | 33.6 Ų | 33.6 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.6 | -45.1 | 178.6 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | P83 V84 Y85 S89 C90 I91 | P83-T87 WeakPolarHBondContact O-CG2 3.21Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-T87 PolarHBondContact O-OG1 2.84Å; V84-T87 WeakPolarHBondContact CA-OG1 3.2Å; V84-T87 PolarHBondContact O-OG1 3.43Å; V84-T87 VanDerWaalsContact O-OG1 3.1Å; Y85-T87 PolarHBondContact O-N 2.67Å; T87-S89 PolarHBondContact O-N 2.97Å; T87-C90 PolarHBondContact O-N 3.49Å; T87-I91 VanDerWaalsContact O-CG1 3.29Å; T87-I91 WeakPolarHBondContact O-CG1 3.36Å; T87-I91 PolarHBondContact O-N 3.5Å |
| 88 | V | 91.9 | Very high | 87.4 | Confident | 21 Ų | 21 | 26.1 Ų | 26.1 | 13% | 0.127 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 176 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | V84 Y85 I91 G92 S102 V105 V106 | V84-V88 HydrophobicContact CG1-CG2 4.3Å; V84-V88 WeakPolarHBondContact O-CB 3.26Å; V84-V88 WeakPolarHBondContact O-CG2 3.42Å; V84-V88 PolarHBondContact O-N 3.16Å; V84-V88 VanDerWaalsContact O-N 3.07Å; Y85-V88 PolarHBondContact O-N 3.49Å; V88-I91 PolarHBondContact O-N 2.86Å; V88-G92 PolarHBondContact O-N 3.12Å; V88-G92 VanDerWaalsContact O-N 3.07Å; V88-S102 VanDerWaalsContact CG1-CB 3.47Å; V88-S102 WeakPolarHBondContact CG1-O 3.32Å; V88-S102 WeakPolarHBondContact O-CB 3.15Å; V88-V105 HydrophobicContact CG1-CB 4.4Å; V88-V105 HydrophobicContact CG1-CG1 4.46Å; V88-V105 HydrophobicContact CG2-CG1 4.16Å; V88-V106 HydrophobicContact CB-CG2 4.41Å; V88-V106 HydrophobicContact CG1-CG2 3.94Å |
| 89 | S | 91 | Very high | 87.5 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -42.5 | 177.6 | -59 | 0 | 0 | 0 | 0 | 113.1 | Y85 S86 T87 I91 G92 M93 | Y85-S89 VanDerWaalsContact CD1-OG 3.3Å; Y85-S89 WeakPolarHBondContact CD1-OG 3.23Å; Y85-S89 WeakPolarHBondContact CE1-OG 3.32Å; Y85-S89 VanDerWaalsContact O-CB 3.32Å; Y85-S89 WeakPolarHBondContact O-CB 3.41Å; Y85-S89 PolarHBondContact O-N 3.49Å; Y85-S89 PolarHBondContact O-OG 3.01Å; S86-S89 PolarHBondContact O-N 3.34Å; T87-S89 PolarHBondContact O-N 2.97Å; S89-I91 VanDerWaalsContact C-N 3.3Å; S89-I91 PolarHBondContact O-N 3.39Å; S89-G92 PolarHBondContact O-N 3.4Å; S89-G92 VanDerWaalsContact O-N 3.15Å; S89-M93 WeakPolarHBondContact O-CG 3.29Å; S89-M93 PolarHBondContact O-N 3.38Å |
| 90 | C | 92.3 | Very high | 87.2 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.4 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | F45 S86 T87 G92 M93 V94 | F45-C90 HydrophobicContact CD1-CB 4.28Å; F45-C90 HydrophobicContact CD2-CB 4.5Å; F45-C90 HydrophobicContact CE1-CB 3.84Å; F45-C90 HydrophobicContact CE2-CB 4.07Å; F45-C90 HydrophobicContact CZ-CB 3.72Å; S86-C90 PolarHBondContact O-N 3.36Å; S86-C90 PolarHBondContact O-SG 3.02Å; T87-C90 PolarHBondContact O-N 3.49Å; C90-G92 VanDerWaalsContact C-N 3.33Å; C90-M93 PolarHBondContact O-N 3.38Å; C90-V94 WeakPolarHBondContact O-CG2 3.46Å; C90-V94 PolarHBondContact O-N 2.98Å |
| 91 | I | 91.1 | Very high | 87.1 | Confident | 102 Ų | 102 | 27.4 Ų | 27.4 | 52% | 0.523 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 174.8 | -66 | 164.6 | 0 | 0 | 0 | 110.8 | T87 V88 S89 M93 V94 V95 | T87-I91 VanDerWaalsContact O-CG1 3.29Å; T87-I91 WeakPolarHBondContact O-CG1 3.36Å; T87-I91 PolarHBondContact O-N 3.5Å; V88-I91 PolarHBondContact O-N 2.86Å; S89-I91 VanDerWaalsContact C-N 3.3Å; S89-I91 PolarHBondContact O-N 3.39Å; I91-M93 PolarHBondContact O-N 3.27Å; I91-V94 PolarHBondContact O-N 3.33Å; I91-V95 PolarHBondContact O-N 2.81Å |
| 92 | G | 87.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V88 S89 C90 V95 M99 | V88-G92 PolarHBondContact O-N 3.12Å; V88-G92 VanDerWaalsContact O-N 3.07Å; S89-G92 PolarHBondContact O-N 3.4Å; S89-G92 VanDerWaalsContact O-N 3.15Å; C90-G92 VanDerWaalsContact C-N 3.33Å; G92-V95 CarbonylContact O-C 3.23Å; G92-V95 VanDerWaalsContact O-C 3.23Å; G92-V95 PolarHBondContact O-N 3.48Å; G92-M99 WeakPolarHBondContact O-CE 3.46Å; G92-M99 WeakPolarHBondContact O-CG 3.22Å |
| 93 | M | 88.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.6 | -37.5 | 176.9 | -67.1 | 171.1 | -170.5 | 0 | 0 | 113.6 | I41 S89 C90 I91 V95 L227 H230 L231 V234 | I41-M93 HydrophobicContact CG1-CB 4.31Å; I41-M93 HydrophobicContact CG2-CB 4.45Å; S89-M93 WeakPolarHBondContact O-CG 3.29Å; S89-M93 PolarHBondContact O-N 3.38Å; C90-M93 PolarHBondContact O-N 3.38Å; I91-M93 PolarHBondContact O-N 3.27Å; M93-V95 VanDerWaalsContact C-N 3.33Å; M93-L227 HydrophobicContact CB-CD1 4.44Å; M93-L227 HydrophobicContact CG-CD1 4.49Å; M93-H230 HydrophobicContact CE-CB 3.58Å; M93-H230 WeakPolarHBondContact CE-O 3.08Å; M93-H230 HydrophobicContact CG-CB 3.89Å; M93-L231 VanDerWaalsContact CE-CA 3.43Å; M93-L231 HydrophobicContact CE-CB 4.29Å; M93-L231 HydrophobicContact CE-CD2 3.75Å; M93-L231 HydrophobicContact CE-CG 4Å; M93-L231 VanDerWaalsContact CE-N 3.25Å; M93-L231 HydrophobicContact SD-CD2 3.86Å; M93-L231 HydrophobicContact SD-CG 4.46Å; M93-V234 HydrophobicContact CE-CG2 3.74Å |
| 94 | V | 88.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 27.1 Ų | 27.1 | 21% | 0.212 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L26 W30 F45 C90 I91 | L26-V94 HydrophobicContact CD1-CG1 3.88Å; L26-V94 WeakPolarHBondContact CD1-O 3.39Å; W30-V94 HydrophobicContact CZ2-CB 4.41Å; W30-V94 HydrophobicContact CZ2-CG1 4.08Å; W30-V94 HydrophobicContact CZ2-CG2 4.25Å; F45-V94 HydrophobicContact CE2-CG2 3.5Å; F45-V94 VanDerWaalsContact CE2-CG2 3.5Å; F45-V94 HydrophobicContact CZ-CG2 3.49Å; F45-V94 VanDerWaalsContact CZ-CG2 3.49Å; C90-V94 WeakPolarHBondContact O-CG2 3.46Å; C90-V94 PolarHBondContact O-N 2.98Å; I91-V94 PolarHBondContact O-N 3.33Å |
| 95 | V | 85.5 | Confident | 86 | Confident | 43 Ų | 43 | 27.4 Ų | 27.4 | 26% | 0.261 | 15% | 0.152 | S | C | . | . | trans | -120.8 | 91.8 | -178.8 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | L26 I91 G92 M93 R97 S98 | L26-V95 HydrophobicContact CD1-CG2 4.09Å; L26-V95 HydrophobicContact CD2-CG2 4.47Å; I91-V95 PolarHBondContact O-N 2.81Å; G92-V95 CarbonylContact O-C 3.23Å; G92-V95 VanDerWaalsContact O-C 3.23Å; G92-V95 PolarHBondContact O-N 3.48Å; M93-V95 VanDerWaalsContact C-N 3.33Å; V95-R97 HydrophobicContact CG1-CB 4.38Å; V95-R97 PolarHBondContact O-N 3.24Å; V95-S98 PolarHBondContact O-N 2.89Å; V95-S98 PolarHBondContact O-OG 2.98Å | ||
| 96 | P | 79.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -53.2 | -33.3 | -179 | -27.1 | 33 | 0 | 0 | 0 | 113.7 | Y29 S98 M99 | Y29-P96 HydrophobicContact CD1-CG 3.94Å; Y29-P96 HydrophobicContact CD2-CG 3.71Å; Y29-P96 HydrophobicContact CE1-CG 3.9Å; Y29-P96 HydrophobicContact CE2-CG 3.68Å; Y29-P96 HydrophobicContact CG-CG 3.83Å; P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 3.34Å; P96-M99 HydrophobicContact CB-CE 4.46Å; P96-M99 WeakPolarHBondContact O-CB 3.2Å; P96-M99 WeakPolarHBondContact O-CG 3.41Å; P96-M99 PolarHBondContact O-N 3.44Å |
| 97 | R | 79.4 | Confident | 84.9 | Confident | 72 Ų | 72 | 28 Ų | 28 | 27% | 0.272 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -64.8 | -24.9 | 175 | -99.3 | -155.1 | 177.8 | 172.6 | -1.3 | 114.5 | V95 W136 W140 | V95-R97 HydrophobicContact CG1-CB 4.38Å; V95-R97 PolarHBondContact O-N 3.24Å; R97-W136 HydrophobicContact CB-CZ2 4.41Å; R97-W136 WeakPolarHBondContact O-CZ2 3.2Å; R97-W140 PolarHBondContact NH2-O 3.45Å |
| 98 | S | 83.2 | Confident | 84.1 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -88.7 | -4.8 | 179.3 | 77.2 | 0 | 0 | 0 | 0 | 113.1 | V95 P96 I101 S102 | V95-S98 PolarHBondContact O-N 2.89Å; V95-S98 PolarHBondContact O-OG 2.98Å; P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 3.34Å; S98-I101 CarbonylContact O-C 3.57Å; S98-I101 WeakPolarHBondContact O-CA 3.25Å; S98-I101 VanDerWaalsContact O-CB 3.24Å; S98-I101 WeakPolarHBondContact O-CB 3.32Å; S98-I101 PolarHBondContact O-N 3.5Å; S98-S102 PolarHBondContact O-N 3.39Å; S98-S102 PolarHBondContact O-OG 3.36Å |
| 99 | M | 82.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.9 | -42.8 | -178.7 | -69.9 | 177.3 | 171.1 | 0 | 0 | 114.3 | G92 P96 I101 S102 D103 S226 L227 | G92-M99 WeakPolarHBondContact O-CE 3.46Å; G92-M99 WeakPolarHBondContact O-CG 3.22Å; P96-M99 HydrophobicContact CB-CE 4.46Å; P96-M99 WeakPolarHBondContact O-CB 3.2Å; P96-M99 WeakPolarHBondContact O-CG 3.41Å; P96-M99 PolarHBondContact O-N 3.44Å; M99-I101 PolarHBondContact O-N 2.89Å; M99-S102 VanDerWaalsContact CA-OG 3.27Å; M99-S102 WeakPolarHBondContact CA-OG 3.5Å; M99-S102 PolarHBondContact O-N 3.27Å; M99-S102 PolarHBondContact O-OG 2.84Å; M99-D103 PolarHBondContact O-N 2.84Å; M99-D103 VanDerWaalsContact O-N 3.1Å; M99-S226 VanDerWaalsContact SD-CB 3.57Å; M99-S226 PolarHBondContact SD-OG 3.46Å; M99-S226 VanDerWaalsContact SD-OG 3.36Å; M99-L227 HydrophobicContact CE-CB 3.91Å; M99-L227 HydrophobicContact CE-CD1 3.78Å; M99-L227 HydrophobicContact CE-CG 4.45Å |
| 100 | P | 78.5 | Confident | 81.8 | Confident | 36 Ų | 36 | 32.3 Ų | 32.3 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -31 | 175.5 | -21.2 | 34.4 | 0 | 0 | 0 | 112.7 | G104 W136 F143 | P100-G104 PolarHBondContact O-N 3.21Å; P100-G104 VanDerWaalsContact O-N 3.15Å; P100-W136 HydrophobicContact CB-CG 4.31Å; P100-W136 HydrophobicContact CG-CG 4.32Å; P100-F143 HydrophobicContact CG-CZ 4.43Å |
| 101 | I | 84.1 | Confident | 80.4 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 30% | 0.297 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.3 | -45.2 | 176.6 | -61.1 | 171.2 | 0 | 0 | 0 | 110.1 | S98 M99 D103 G104 V105 M133 W136 | S98-I101 CarbonylContact O-C 3.57Å; S98-I101 WeakPolarHBondContact O-CA 3.25Å; S98-I101 VanDerWaalsContact O-CB 3.24Å; S98-I101 WeakPolarHBondContact O-CB 3.32Å; S98-I101 PolarHBondContact O-N 3.5Å; M99-I101 PolarHBondContact O-N 2.89Å; I101-D103 PolarHBondContact O-N 2.84Å; I101-G104 PolarHBondContact O-N 3.39Å; I101-V105 HydrophobicContact CG2-CG2 4.45Å; I101-V105 WeakPolarHBondContact O-CG2 3.38Å; I101-V105 PolarHBondContact O-N 2.8Å; I101-M133 HydrophobicContact CB-CE 3.79Å; I101-M133 HydrophobicContact CB-SD 4.22Å; I101-M133 HydrophobicContact CG1-CE 3.73Å; I101-M133 HydrophobicContact CG1-SD 3.61Å; I101-M133 HydrophobicContact CG2-CE 3.59Å; I101-W136 HydrophobicContact CD1-CE3 4.37Å; I101-W136 HydrophobicContact CD1-CH2 3.82Å; I101-W136 HydrophobicContact CD1-CZ3 3.65Å; I101-W136 HydrophobicContact CG1-CE3 4.31Å; I101-W136 HydrophobicContact CG1-CH2 4.47Å; I101-W136 HydrophobicContact CG1-CZ3 4.08Å |
| 102 | S | 84.9 | Confident | 78.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | V88 S98 M99 G104 V105 V106 H230 | V88-S102 VanDerWaalsContact CG1-CB 3.47Å; V88-S102 WeakPolarHBondContact CG1-O 3.32Å; V88-S102 WeakPolarHBondContact O-CB 3.15Å; S98-S102 PolarHBondContact O-N 3.39Å; S98-S102 PolarHBondContact O-OG 3.36Å; M99-S102 VanDerWaalsContact CA-OG 3.27Å; M99-S102 WeakPolarHBondContact CA-OG 3.5Å; M99-S102 PolarHBondContact O-N 3.27Å; M99-S102 PolarHBondContact O-OG 2.84Å; S102-G104 VanDerWaalsContact C-N 3.33Å; S102-G104 PolarHBondContact O-N 3.03Å; S102-V105 PolarHBondContact O-N 3.41Å; S102-V106 WeakPolarHBondContact O-CG2 3.39Å; S102-V106 PolarHBondContact O-N 3.12Å; S102-H230 PolarHBondContact OG-NE2 3.39Å; S102-H230 VanDerWaalsContact OG-NE2 3.08Å |
| 103 | D | 80.9 | Confident | 77.6 | Confident | 29 Ų | 29 | 43.8 Ų | 43.8 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 174.2 | -72.1 | -22.3 | 0 | 0 | 0 | 111.7 | M99 I101 V105 V106 I107 H230 | M99-D103 PolarHBondContact O-N 2.84Å; M99-D103 VanDerWaalsContact O-N 3.1Å; I101-D103 PolarHBondContact O-N 2.84Å; D103-V105 PolarHBondContact O-N 3.35Å; D103-V106 PolarHBondContact O-N 3.36Å; D103-I107 WeakPolarHBondContact O-CD1 3.13Å; D103-I107 VanDerWaalsContact O-CG1 3.22Å; D103-I107 WeakPolarHBondContact O-CG1 3.46Å; D103-I107 PolarHBondContact O-N 2.95Å; D103-H230 IonicContact OD1-CE1 3.33Å; D103-H230 PolarHBondContact OD1-CE1 3.46Å; D103-H230 IonicContact OD1-NE2 2.84Å; D103-H230 PolarHBondContact OD1-NE2 3.37Å |
| 104 | G | 80.9 | Confident | 75.8 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P100 I101 S102 V106 I107 L108 | P100-G104 PolarHBondContact O-N 3.21Å; P100-G104 VanDerWaalsContact O-N 3.15Å; I101-G104 PolarHBondContact O-N 3.39Å; S102-G104 VanDerWaalsContact C-N 3.33Å; S102-G104 PolarHBondContact O-N 3.03Å; G104-V106 PolarHBondContact O-N 3.23Å; G104-I107 PolarHBondContact O-N 3.49Å; G104-L108 VanDerWaalsContact O-CG 3.27Å; G104-L108 WeakPolarHBondContact O-CG 3.18Å; G104-L108 PolarHBondContact O-N 3.41Å |
| 105 | V | 83.6 | Confident | 74 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -43.2 | 179.1 | 170 | 0 | 0 | 0 | 0 | 111.5 | V88 I101 S102 D103 L108 R109 | V88-V105 HydrophobicContact CG1-CB 4.4Å; V88-V105 HydrophobicContact CG1-CG1 4.46Å; V88-V105 HydrophobicContact CG2-CG1 4.16Å; I101-V105 HydrophobicContact CG2-CG2 4.45Å; I101-V105 WeakPolarHBondContact O-CG2 3.38Å; I101-V105 PolarHBondContact O-N 2.8Å; S102-V105 PolarHBondContact O-N 3.41Å; D103-V105 PolarHBondContact O-N 3.35Å; V105-L108 PolarHBondContact O-N 2.86Å; V105-R109 WeakPolarHBondContact O-CB 3.38Å; V105-R109 PolarHBondContact O-N 3.03Å |
| 106 | V | 81.9 | Confident | 72.2 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -51.1 | 174.2 | 162.9 | 0 | 0 | 0 | 0 | 110.7 | Y85 V88 S102 D103 G104 L108 R109 N110 | Y85-V106 HydrophobicContact CD1-CG2 4.34Å; Y85-V106 HydrophobicContact CD2-CB 4.48Å; Y85-V106 HydrophobicContact CD2-CG1 3.63Å; Y85-V106 HydrophobicContact CD2-CG2 4.05Å; Y85-V106 HydrophobicContact CE1-CG1 4.46Å; Y85-V106 HydrophobicContact CE1-CG2 3.94Å; Y85-V106 HydrophobicContact CE2-CB 4Å; Y85-V106 HydrophobicContact CE2-CG1 2.97Å; Y85-V106 HydrophobicContact CE2-CG2 3.82Å; Y85-V106 HydrophobicContact CG-CG2 4.28Å; Y85-V106 VanDerWaalsContact CZ-CG1 3.4Å; Y85-V106 WeakPolarHBondContact OH-CG1 3.43Å; V88-V106 HydrophobicContact CB-CG2 4.41Å; V88-V106 HydrophobicContact CG1-CG2 3.94Å; S102-V106 WeakPolarHBondContact O-CG2 3.39Å; S102-V106 PolarHBondContact O-N 3.12Å; D103-V106 PolarHBondContact O-N 3.36Å; G104-V106 PolarHBondContact O-N 3.23Å; V106-L108 VanDerWaalsContact C-N 3.32Å; V106-L108 PolarHBondContact O-N 3.16Å; V106-R109 WeakPolarHBondContact O-CB 3.31Å; V106-R109 PolarHBondContact O-N 2.96Å; V106-R109 VanDerWaalsContact O-N 3.07Å; V106-N110 PolarHBondContact O-N 3.45Å; V106-N110 PolarHBondContact O-OD1 3.31Å |
| 107 | I | 76.6 | Confident | 70.8 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | -175.5 | -71.5 | 164.8 | 0 | 0 | 0 | 110.5 | D103 G104 R109 N110 F111 R125 P126 A129 | D103-I107 WeakPolarHBondContact O-CD1 3.13Å; D103-I107 VanDerWaalsContact O-CG1 3.22Å; D103-I107 WeakPolarHBondContact O-CG1 3.46Å; D103-I107 PolarHBondContact O-N 2.95Å; G104-I107 PolarHBondContact O-N 3.49Å; I107-R109 PolarHBondContact O-N 3.14Å; I107-N110 PolarHBondContact O-N 3.5Å; I107-F111 PolarHBondContact O-N 2.93Å; I107-R125 HydrophobicContact CG2-CB 3.66Å; I107-P126 HydrophobicContact CG2-CG 4.25Å; I107-A129 HydrophobicContact CB-CB 4.26Å; I107-A129 HydrophobicContact CD1-CB 3.86Å; I107-A129 HydrophobicContact CG2-CB 4.03Å |
| 108 | L | 73.2 | Confident | 69.7 | Low | 99 Ų | 99 | 58.4 Ų | 58.4 | 52% | 0.518 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -34.2 | 176 | -70.3 | 173.3 | 0 | 0 | 0 | 112.4 | G104 V105 V106 F111 P126 | G104-L108 VanDerWaalsContact O-CG 3.27Å; G104-L108 WeakPolarHBondContact O-CG 3.18Å; G104-L108 PolarHBondContact O-N 3.41Å; V105-L108 PolarHBondContact O-N 2.86Å; V106-L108 VanDerWaalsContact C-N 3.32Å; V106-L108 PolarHBondContact O-N 3.16Å; L108-F111 VanDerWaalsContact O-CB 3.25Å; L108-F111 WeakPolarHBondContact O-CB 3.43Å; L108-F111 PolarHBondContact O-N 3.4Å; L108-P126 HydrophobicContact CD2-CB 4.05Å |
| 109 | R | 70.8 | Confident | 68.4 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.6 | -38.5 | 178.3 | -164.6 | 165.2 | 64.1 | 101.6 | -0.8 | 112.2 | G80 I81 V84 V105 V106 I107 F111 K112 | G80-R109 PolarHBondContact O-NH1 3.43Å; I81-R109 PolarHBondContact O-NH1 3.47Å; I81-R109 PolarHBondContact O-NH2 3.14Å; V84-R109 VanDerWaalsContact CG1-NE 3.27Å; V84-R109 VanDerWaalsContact CG1-NH1 3.32Å; V105-R109 WeakPolarHBondContact O-CB 3.38Å; V105-R109 PolarHBondContact O-N 3.03Å; V106-R109 WeakPolarHBondContact O-CB 3.31Å; V106-R109 PolarHBondContact O-N 2.96Å; V106-R109 VanDerWaalsContact O-N 3.07Å; I107-R109 PolarHBondContact O-N 3.14Å; R109-F111 PolarHBondContact O-N 3.31Å; R109-K112 PolarHBondContact O-N 3.01Å |
| 110 | N | 65.1 | Low | 67.2 | Low | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.2 | -30.1 | 174.1 | -67.2 | -6.3 | 0 | 0 | 0 | 111.9 | I81 V106 I107 K112 I113 | I81-N110 WeakPolarHBondContact CD1-OD1 3.42Å; V106-N110 PolarHBondContact O-N 3.45Å; V106-N110 PolarHBondContact O-OD1 3.31Å; I107-N110 PolarHBondContact O-N 3.5Å; N110-K112 VanDerWaalsContact C-N 3.26Å; N110-K112 PolarHBondContact O-N 3.1Å; N110-I113 WeakPolarHBondContact O-CB 3.26Å; N110-I113 PolarHBondContact O-N 3.23Å; N110-I113 VanDerWaalsContact O-N 3.1Å |
| 111 | F | 62.9 | Low | 66.5 | Low | 105 Ų | 105 | 69.3 Ų | 69.3 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.9 | -38.1 | 178 | -172.4 | -110.4 | 0 | 0 | 0 | 113.6 | I107 L108 R109 I113 A122 P126 | I107-F111 PolarHBondContact O-N 2.93Å; L108-F111 VanDerWaalsContact O-CB 3.25Å; L108-F111 WeakPolarHBondContact O-CB 3.43Å; L108-F111 PolarHBondContact O-N 3.4Å; R109-F111 PolarHBondContact O-N 3.31Å; F111-I113 PolarHBondContact O-N 2.86Å; F111-A122 HydrophobicContact CD2-CB 3.9Å; F111-A122 WeakPolarHBondContact CD2-O 3.43Å; F111-A122 HydrophobicContact CE2-CB 3.92Å; F111-A122 WeakPolarHBondContact CE2-O 3.33Å; F111-P126 HydrophobicContact CB-CG 4.23Å; F111-P126 HydrophobicContact CD2-CG 3.79Å; F111-P126 HydrophobicContact CE2-CG 4.44Å; F111-P126 HydrophobicContact CG-CG 4.21Å |
| 112 | K | 59 | Low | 65.6 | Low | 182 Ų | 182 | 67.1 Ų | 67.1 | 79% | 0.791 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.4 | -178 | -73.7 | -173.2 | 175 | 178.7 | 0 | 113.7 | R109 N110 | R109-K112 PolarHBondContact O-N 3.01Å; N110-K112 VanDerWaalsContact C-N 3.26Å; N110-K112 PolarHBondContact O-N 3.1Å |
| 113 | I | 59.3 | Low | 65.1 | Low | 59 Ų | 59 | 73.2 Ų | 73.2 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -27.3 | -166.8 | -63.2 | 176 | 0 | 0 | 0 | 112.8 | I81 N110 F111 | I81-I113 HydrophobicContact CB-CD1 4.45Å; I81-I113 HydrophobicContact CD1-CD1 3.25Å; I81-I113 HydrophobicContact CG1-CD1 3.84Å; N110-I113 WeakPolarHBondContact O-CB 3.26Å; N110-I113 PolarHBondContact O-N 3.23Å; N110-I113 VanDerWaalsContact O-N 3.1Å; F111-I113 PolarHBondContact O-N 2.86Å |
| 114 | F | 51.4 | Low | 64.7 | Low | 56 Ų | 56 | 73.8 Ų | 73.8 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | trans | -113.3 | 82.9 | -169.8 | -78 | -82.6 | 0 | 0 | 0 | 113.4 | V118 Q192 L195 | F114-V118 HydrophobicContact CD1-CG2 4.11Å; F114-Q192 HydrophobicContact CE1-CG 4.18Å; F114-Q192 HydrophobicContact CZ-CG 4.13Å; F114-L195 HydrophobicContact CE2-CD2 3.66Å; F114-L195 HydrophobicContact CZ-CD2 4.2Å | ||
| 115 | R | 51.1 | Low | 64.4 | Low | 153 Ų | 153 | 74.6 Ų | 74.6 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -80.6 | 120.6 | 164.6 | -145.7 | 171.5 | 69.4 | -176.3 | 3.6 | 108.8 | F295 | R115-F295 VanDerWaalsContact NH1-CD2 3.34Š|
| 116 | M | 46.8 | Very low | 64.2 | Low | 143 Ų | 143 | 72.6 Ų | 72.6 | 70% | 0.704 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 96.3 | -27.9 | 167.3 | -68.3 | -67 | -142.4 | 0 | 0 | 121.6 | Y119 | M116-Y119 HydrophobicContact SD-CE2 4.15Š|
| 117 | L | 50.7 | Low | 64.3 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -120.7 | -6.1 | -165.1 | -90.8 | 172.9 | 0 | 0 | 0 | 116.6 | I171 | L117-I171 HydrophobicContact CB-CD1 3.33Å; L117-I171 HydrophobicContact CB-CG1 4.06Å; L117-I171 HydrophobicContact CD1-CB 4.13Å; L117-I171 HydrophobicContact CD1-CD1 3.72Å; L117-I171 HydrophobicContact CD1-CG1 3.52Å; L117-I171 HydrophobicContact CD1-CG2 3.5Å; L117-I171 VanDerWaalsContact CD1-CG2 3.5Å; L117-I171 HydrophobicContact CD2-CD1 3.48Å; L117-I171 VanDerWaalsContact CD2-CD1 3.48Å; L117-I171 HydrophobicContact CD2-CG1 3.28Å; L117-I171 HydrophobicContact CG-CD1 3.59Å; L117-I171 HydrophobicContact CG-CG1 3.7Å |
| 118 | V | 57.5 | Low | 64.5 | Low | 14 Ų | 14 | 75.9 Ų | 75.9 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | trans | -138.2 | 46.7 | 171.5 | -148.7 | 0 | 0 | 0 | 0 | 111.2 | F114 Q120 I121 A122 A164 V168 | F114-V118 HydrophobicContact CD1-CG2 4.11Å; V118-Q120 PolarHBondContact O-N 3.24Å; V118-Q120 VanDerWaalsContact O-N 3.17Å; V118-I121 HydrophobicContact CB-CG2 3.77Å; V118-I121 HydrophobicContact CG1-CB 3.65Å; V118-I121 HydrophobicContact CG1-CG2 3.15Å; V118-I121 PolarHBondContact O-N 3.44Å; V118-A122 VanDerWaalsContact O-CB 3.29Å; V118-A122 WeakPolarHBondContact O-CB 3.45Å; V118-A122 PolarHBondContact O-N 3.11Å; V118-A164 HydrophobicContact CG1-CB 3.79Å; V118-V168 HydrophobicContact CG2-CG2 4.42Å | ||
| 119 | Y | 55.2 | Low | 64.8 | Low | 145 Ų | 145 | 71.6 Ų | 71.6 | 57% | 0.569 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.6 | -29.5 | -176 | -106 | -74.8 | 0 | 0 | 0 | 113.8 | M116 F123 | M116-Y119 HydrophobicContact SD-CE2 4.15Å; Y119-F123 PolarHBondContact O-N 3.4Å |
| 120 | Q | 57.8 | Low | 65.5 | Low | 119 Ų | 119 | 76.4 Ų | 76.4 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -77.6 | -42.7 | -179.5 | -70 | 178.2 | -15.8 | 0 | 0 | 112.9 | V118 A122 F123 V124 | V118-Q120 PolarHBondContact O-N 3.24Å; V118-Q120 VanDerWaalsContact O-N 3.17Å; Q120-A122 PolarHBondContact O-N 3.06Å; Q120-F123 PolarHBondContact O-N 2.97Å; Q120-V124 WeakPolarHBondContact O-CB 3.24Å; Q120-V124 VanDerWaalsContact O-CG2 3.24Å; Q120-V124 WeakPolarHBondContact O-CG2 3.34Å; Q120-V124 PolarHBondContact O-N 3.39Å |
| 121 | I | 62.7 | Low | 66.3 | Low | 25 Ų | 25 | 78.4 Ų | 78.4 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.5 | -32.8 | 173.4 | -146.6 | 169.3 | 0 | 0 | 0 | 110.7 | V118 F123 R125 A164 | V118-I121 HydrophobicContact CB-CG2 3.77Å; V118-I121 HydrophobicContact CG1-CB 3.65Å; V118-I121 HydrophobicContact CG1-CG2 3.15Å; V118-I121 PolarHBondContact O-N 3.44Å; I121-F123 VanDerWaalsContact C-N 3.31Å; I121-F123 PolarHBondContact O-N 3.14Å; I121-R125 HydrophobicContact CG1-CG 3.92Å; I121-R125 WeakPolarHBondContact O-CB 3.37Å; I121-R125 WeakPolarHBondContact O-CG 3.45Å; I121-R125 PolarHBondContact O-N 2.89Å; I121-A164 HydrophobicContact CB-CB 4.31Å; I121-A164 HydrophobicContact CD1-CB 3.69Å; I121-A164 HydrophobicContact CG1-CB 4.48Å |
| 122 | A | 66 | Low | 67.1 | Low | 11 Ų | 11 | 76.3 Ų | 76.3 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | F111 V118 Q120 P126 | F111-A122 HydrophobicContact CD2-CB 3.9Å; F111-A122 WeakPolarHBondContact CD2-O 3.43Å; F111-A122 HydrophobicContact CE2-CB 3.92Å; F111-A122 WeakPolarHBondContact CE2-O 3.33Å; V118-A122 VanDerWaalsContact O-CB 3.29Å; V118-A122 WeakPolarHBondContact O-CB 3.45Å; V118-A122 PolarHBondContact O-N 3.11Å; Q120-A122 PolarHBondContact O-N 3.06Å; A122-P126 WeakPolarHBondContact O-CD 3.15Å; A122-P126 WeakPolarHBondContact O-CG 3.43Å |
| 123 | F | 73.4 | Confident | 68 | Low | 135 Ų | 135 | 70.1 Ų | 70.1 | 59% | 0.592 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -85.1 | -44.6 | 178.7 | -170.5 | -100.9 | 0 | 0 | 0 | 113.5 | Y119 Q120 I121 R125 P126 L127 | Y119-F123 PolarHBondContact O-N 3.4Å; Q120-F123 PolarHBondContact O-N 2.97Å; I121-F123 VanDerWaalsContact C-N 3.31Å; I121-F123 PolarHBondContact O-N 3.14Å; F123-R125 VanDerWaalsContact C-N 3.31Å; F123-R125 PolarHBondContact O-N 2.94Å; F123-P126 WeakPolarHBondContact O-CD 3.45Å; F123-L127 HydrophobicContact CE1-CD2 4.01Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 PolarHBondContact O-N 2.99Å |
| 124 | V | 73.6 | Confident | 69.1 | Low | 41 Ų | 41 | 70.6 Ų | 70.6 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -38.4 | -173.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | Q120 L127 V128 I156 | Q120-V124 WeakPolarHBondContact O-CB 3.24Å; Q120-V124 VanDerWaalsContact O-CG2 3.24Å; Q120-V124 WeakPolarHBondContact O-CG2 3.34Å; Q120-V124 PolarHBondContact O-N 3.39Å; V124-L127 PolarHBondContact O-N 2.7Å; V124-V128 HydrophobicContact CG1-CG2 4.14Å; V124-V128 WeakPolarHBondContact O-CB 3.44Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.1Å; V124-V128 PolarHBondContact O-N 3.2Å; V124-I156 HydrophobicContact CG1-CG2 3.85Å |
| 125 | R | 74.4 | Confident | 70.4 | Confident | 21 Ų | 21 | 70 Ų | 70 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.6 | -51.9 | -176.2 | -72.9 | -171.7 | 170.2 | -92.9 | -8 | 114.4 | I107 I121 F123 L127 V128 A129 T161 N199 | I107-R125 HydrophobicContact CG2-CB 3.66Å; I121-R125 HydrophobicContact CG1-CG 3.92Å; I121-R125 WeakPolarHBondContact O-CB 3.37Å; I121-R125 WeakPolarHBondContact O-CG 3.45Å; I121-R125 PolarHBondContact O-N 2.89Å; F123-R125 VanDerWaalsContact C-N 3.31Å; F123-R125 PolarHBondContact O-N 2.94Å; R125-L127 PolarHBondContact O-N 3.43Å; R125-V128 PolarHBondContact O-N 3.45Å; R125-A129 VanDerWaalsContact O-CB 3.29Å; R125-A129 WeakPolarHBondContact O-CB 3.39Å; R125-A129 PolarHBondContact O-N 2.95Å; R125-T161 PolarHBondContact NH2-OG1 3.14Å; R125-N199 PolarHBondContact NE-OD1 2.8Å; R125-N199 VanDerWaalsContact NE-OD1 3.15Å; R125-N199 PolarHBondContact NH1-OD1 3.11Å; R125-N199 PolarHBondContact NH2-O 3.43Å; R125-N199 PolarHBondContact NH2-OD1 3.32Å |
| 126 | P | 78.9 | Confident | 71.5 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.6 | -38.2 | 171.2 | -29.7 | 38.2 | 0 | 0 | 0 | 112.6 | I107 L108 F111 A122 F123 A129 Y130 | I107-P126 HydrophobicContact CG2-CG 4.25Å; L108-P126 HydrophobicContact CD2-CB 4.05Å; F111-P126 HydrophobicContact CB-CG 4.23Å; F111-P126 HydrophobicContact CD2-CG 3.79Å; F111-P126 HydrophobicContact CE2-CG 4.44Å; F111-P126 HydrophobicContact CG-CG 4.21Å; A122-P126 WeakPolarHBondContact O-CD 3.15Å; A122-P126 WeakPolarHBondContact O-CG 3.43Å; F123-P126 WeakPolarHBondContact O-CD 3.45Å; P126-A129 PolarHBondContact O-N 2.77Å; P126-Y130 WeakPolarHBondContact O-CB 3.48Å; P126-Y130 PolarHBondContact O-N 3.26Å |
| 127 | L | 83.4 | Confident | 73 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 42% | 0.419 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 177.2 | -175.2 | 64.9 | 0 | 0 | 0 | 111.7 | F123 V124 R125 A129 Y130 I131 | F123-L127 HydrophobicContact CE1-CD2 4.01Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 PolarHBondContact O-N 2.99Å; V124-L127 PolarHBondContact O-N 2.7Å; R125-L127 PolarHBondContact O-N 3.43Å; L127-A129 VanDerWaalsContact C-N 3.34Å; L127-A129 PolarHBondContact O-N 2.86Å; L127-Y130 PolarHBondContact O-N 3.25Å; L127-I131 HydrophobicContact CD1-CD1 4.33Å; L127-I131 HydrophobicContact CG-CD1 4.04Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.19Å; L127-I131 PolarHBondContact O-N 2.83Å |
| 128 | V | 81.3 | Confident | 74.2 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 9% | 0.085 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V124 R125 I131 N132 L153 V157 | V124-V128 HydrophobicContact CG1-CG2 4.14Å; V124-V128 WeakPolarHBondContact O-CB 3.44Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.1Å; V124-V128 PolarHBondContact O-N 3.2Å; R125-V128 PolarHBondContact O-N 3.45Å; V128-I131 PolarHBondContact O-N 2.91Å; V128-N132 WeakPolarHBondContact O-CB 3.46Å; V128-N132 PolarHBondContact O-N 3.24Å; V128-N132 PolarHBondContact O-ND2 3.43Å; V128-L153 HydrophobicContact CG1-CB 4.45Å; V128-L153 HydrophobicContact CG1-CD2 4.45Å; V128-L153 HydrophobicContact CG2-CD2 4.44Å; V128-V157 HydrophobicContact CB-CG2 4.45Å; V128-V157 HydrophobicContact CG1-CG2 3.91Å; V128-V157 HydrophobicContact CG2-CG2 4.3Å |
| 129 | A | 80.6 | Confident | 74.7 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I107 R125 P126 L127 N132 M133 | I107-A129 HydrophobicContact CB-CB 4.26Å; I107-A129 HydrophobicContact CD1-CB 3.86Å; I107-A129 HydrophobicContact CG2-CB 4.03Å; R125-A129 VanDerWaalsContact O-CB 3.29Å; R125-A129 WeakPolarHBondContact O-CB 3.39Å; R125-A129 PolarHBondContact O-N 2.95Å; P126-A129 PolarHBondContact O-N 2.77Å; L127-A129 VanDerWaalsContact C-N 3.34Å; L127-A129 PolarHBondContact O-N 2.86Å; A129-N132 PolarHBondContact O-N 3.24Å; A129-M133 VanDerWaalsContact O-CB 3.3Å; A129-M133 WeakPolarHBondContact O-CB 3.23Å; A129-M133 WeakPolarHBondContact O-CG 3.49Å; A129-M133 PolarHBondContact O-N 3.44Å |
| 130 | Y | 83.7 | Confident | 75.2 | Confident | 157 Ų | 157 | 69 Ų | 69 | 62% | 0.616 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 174.6 | 177.2 | -102 | 0 | 0 | 0 | 111.3 | P126 L127 M133 V134 | P126-Y130 WeakPolarHBondContact O-CB 3.48Å; P126-Y130 PolarHBondContact O-N 3.26Å; L127-Y130 PolarHBondContact O-N 3.25Å; Y130-M133 WeakPolarHBondContact O-CB 3.46Å; Y130-M133 PolarHBondContact O-N 2.83Å; Y130-V134 HydrophobicContact CD1-CG2 4.25Å; Y130-V134 HydrophobicContact CD2-CG2 4.39Å; Y130-V134 HydrophobicContact CE1-CG2 3.83Å; Y130-V134 HydrophobicContact CE2-CG2 3.98Å; Y130-V134 VanDerWaalsContact O-CG2 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.16Å; Y130-V134 PolarHBondContact O-N 3.18Å |
| 131 | I | 83.6 | Confident | 75.2 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.7 | -68 | 165.1 | 0 | 0 | 0 | 110.6 | L127 V128 M133 V134 L135 L153 | L127-I131 HydrophobicContact CD1-CD1 4.33Å; L127-I131 HydrophobicContact CG-CD1 4.04Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.19Å; L127-I131 PolarHBondContact O-N 2.83Å; V128-I131 PolarHBondContact O-N 2.91Å; I131-M133 VanDerWaalsContact C-N 3.31Å; I131-M133 PolarHBondContact O-N 3.5Å; I131-V134 PolarHBondContact O-N 3.25Å; I131-L135 HydrophobicContact CG2-CD1 3.83Å; I131-L135 HydrophobicContact CG2-CG 4.29Å; I131-L135 WeakPolarHBondContact O-CB 3.49Å; I131-L135 VanDerWaalsContact O-CG 3.28Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.28Å; I131-L153 HydrophobicContact CG2-CD1 4.37Å |
| 132 | N | 79.2 | Confident | 75 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.5 | -80 | -36.9 | 0 | 0 | 0 | 111.8 | V128 A129 W136 L153 | V128-N132 WeakPolarHBondContact O-CB 3.46Å; V128-N132 PolarHBondContact O-N 3.24Å; V128-N132 PolarHBondContact O-ND2 3.43Å; A129-N132 PolarHBondContact O-N 3.24Å; N132-W136 WeakPolarHBondContact O-CB 3.43Å; N132-W136 PolarHBondContact O-N 3.41Å; N132-L153 VanDerWaalsContact OD1-CD1 3.31Å; N132-L153 WeakPolarHBondContact OD1-CD1 3.42Å |
| 133 | M | 77.5 | Confident | 74.5 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 174.9 | -92.9 | -81.3 | -131.6 | 0 | 0 | 112.3 | I101 A129 Y130 I131 W136 V137 | I101-M133 HydrophobicContact CB-CE 3.79Å; I101-M133 HydrophobicContact CB-SD 4.22Å; I101-M133 HydrophobicContact CG1-CE 3.73Å; I101-M133 HydrophobicContact CG1-SD 3.61Å; I101-M133 HydrophobicContact CG2-CE 3.59Å; A129-M133 VanDerWaalsContact O-CB 3.3Å; A129-M133 WeakPolarHBondContact O-CB 3.23Å; A129-M133 WeakPolarHBondContact O-CG 3.49Å; A129-M133 PolarHBondContact O-N 3.44Å; Y130-M133 WeakPolarHBondContact O-CB 3.46Å; Y130-M133 PolarHBondContact O-N 2.83Å; I131-M133 VanDerWaalsContact C-N 3.31Å; I131-M133 PolarHBondContact O-N 3.5Å; M133-W136 WeakPolarHBondContact O-CB 3.45Å; M133-W136 PolarHBondContact O-N 3.09Å; M133-V137 WeakPolarHBondContact O-CG2 3.36Å; M133-V137 PolarHBondContact O-N 3.39Å |
| 134 | V | 82.4 | Confident | 73.8 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 42% | 0.418 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 178.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | Y130 I131 W136 V137 D138 | Y130-V134 HydrophobicContact CD1-CG2 4.25Å; Y130-V134 HydrophobicContact CD2-CG2 4.39Å; Y130-V134 HydrophobicContact CE1-CG2 3.83Å; Y130-V134 HydrophobicContact CE2-CG2 3.98Å; Y130-V134 VanDerWaalsContact O-CG2 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.16Å; Y130-V134 PolarHBondContact O-N 3.18Å; I131-V134 PolarHBondContact O-N 3.25Å; V134-W136 VanDerWaalsContact C-N 3.3Å; V134-W136 PolarHBondContact O-N 2.96Å; V134-V137 PolarHBondContact O-N 3.27Å; V134-D138 WeakPolarHBondContact O-CB 3.47Å; V134-D138 PolarHBondContact O-N 2.88Å |
| 135 | L | 77.8 | Confident | 72.9 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -35.8 | 176.8 | -70 | 174.7 | 0 | 0 | 0 | 112.3 | I131 R139 W149 | I131-L135 HydrophobicContact CG2-CD1 3.83Å; I131-L135 HydrophobicContact CG2-CG 4.29Å; I131-L135 WeakPolarHBondContact O-CB 3.49Å; I131-L135 VanDerWaalsContact O-CG 3.28Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.28Å; L135-R139 PolarHBondContact O-N 3.36Å; L135-R139 VanDerWaalsContact O-N 3.14Å; L135-W149 HydrophobicContact CD1-CD2 3.96Å; L135-W149 HydrophobicContact CD1-CE3 3.7Å; L135-W149 HydrophobicContact CD1-CH2 4.35Å; L135-W149 HydrophobicContact CD1-CZ3 3.89Å |
| 136 | W | 74.2 | Confident | 72.1 | Confident | 44 Ų | 44 | 70 Ų | 70 | 17% | 0.167 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 175.8 | -179.8 | 73.5 | 0 | 0 | 0 | 112.1 | R97 P100 I101 N132 M133 V134 W140 F143 | R97-W136 HydrophobicContact CB-CZ2 4.41Å; R97-W136 WeakPolarHBondContact O-CZ2 3.2Å; P100-W136 HydrophobicContact CB-CG 4.31Å; P100-W136 HydrophobicContact CG-CG 4.32Å; I101-W136 HydrophobicContact CD1-CE3 4.37Å; I101-W136 HydrophobicContact CD1-CH2 3.82Å; I101-W136 HydrophobicContact CD1-CZ3 3.65Å; I101-W136 HydrophobicContact CG1-CE3 4.31Å; I101-W136 HydrophobicContact CG1-CH2 4.47Å; I101-W136 HydrophobicContact CG1-CZ3 4.08Å; N132-W136 WeakPolarHBondContact O-CB 3.43Å; N132-W136 PolarHBondContact O-N 3.41Å; M133-W136 WeakPolarHBondContact O-CB 3.45Å; M133-W136 PolarHBondContact O-N 3.09Å; V134-W136 VanDerWaalsContact C-N 3.3Å; V134-W136 PolarHBondContact O-N 2.96Å; W136-W140 PolarHBondContact O-N 3.16Å; W136-F143 AromaticContact CD1-CE2 3.82Å; W136-F143 AromaticContact CD1-CZ 3.4Å; W136-F143 VanDerWaalsContact CD1-CZ 3.4Å; W136-F143 HydrophobicContact CG-CZ 4.48Å |
| 137 | V | 78.9 | Confident | 71.5 | Confident | 89 Ų | 89 | 70 Ų | 70 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | M133 V134 R139 | M133-V137 WeakPolarHBondContact O-CG2 3.36Å; M133-V137 PolarHBondContact O-N 3.39Å; V134-V137 PolarHBondContact O-N 3.27Å; V137-R139 PolarHBondContact O-N 2.96Å |
| 138 | D | 76.9 | Confident | 70.7 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 65% | 0.652 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | -179.4 | -173.5 | 61.7 | 0 | 0 | 0 | 112.1 | V134 | V134-D138 WeakPolarHBondContact O-CB 3.47Å; V134-D138 PolarHBondContact O-N 2.88Å |
| 139 | R | 68.3 | Low | 70.2 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 5.3 | -174.3 | -63.3 | -171.6 | 178.4 | -155.2 | -2.6 | 115.3 | L135 V137 G141 D142 D144 | L135-R139 PolarHBondContact O-N 3.36Å; L135-R139 VanDerWaalsContact O-N 3.14Å; V137-R139 PolarHBondContact O-N 2.96Å; R139-G141 PolarHBondContact O-N 3.16Å; R139-D142 PolarHBondContact O-N 3.07Å; R139-D144 IonicContact NH1-OD2 3.84Å |
| 140 | W | 64.7 | Low | 69.6 | Low | 190 Ų | 190 | 75.6 Ų | 75.6 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 24.8 | 178 | -87.1 | 83 | 0 | 0 | 0 | 116 | R97 W136 | R97-W140 PolarHBondContact NH2-O 3.45Å; W136-W140 PolarHBondContact O-N 3.16Å |
| 141 | G | 58.8 | Low | 69 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 6.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R139 F143 | R139-G141 PolarHBondContact O-N 3.16Å; G141-F143 VanDerWaalsContact O-CD2 3.24Å; G141-F143 WeakPolarHBondContact O-CD2 3.46Å; G141-F143 PolarHBondContact O-N 2.89Å; G141-F143 VanDerWaalsContact O-N 3.12Å |
| 142 | D | 58.5 | Low | 68.8 | Low | 91 Ų | 91 | 74.6 Ų | 74.6 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | trans | -77.4 | 92.6 | 165.9 | -71.1 | -13 | 0 | 0 | 0 | 108.2 | V22 R139 D144 | V22-D142 VanDerWaalsContact CG2-OD1 3.27Å; V22-D142 WeakPolarHBondContact CG2-OD1 3.26Å; R139-D142 PolarHBondContact O-N 3.07Å; D142-D144 PolarHBondContact O-N 3.34Å | ||
| 143 | F | 55.5 | Low | 68.8 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 17% | 0.167 | 38% | 0.375 | C | S | . | . | trans | -92.8 | 91.1 | 179.2 | -70.8 | -85 | 0 | 0 | 0 | 110.2 | P100 W136 G141 P145 W149 Y222 | P100-F143 HydrophobicContact CG-CZ 4.43Å; W136-F143 AromaticContact CD1-CE2 3.82Å; W136-F143 AromaticContact CD1-CZ 3.4Å; W136-F143 VanDerWaalsContact CD1-CZ 3.4Å; W136-F143 HydrophobicContact CG-CZ 4.48Å; G141-F143 VanDerWaalsContact O-CD2 3.24Å; G141-F143 WeakPolarHBondContact O-CD2 3.46Å; G141-F143 PolarHBondContact O-N 2.89Å; G141-F143 VanDerWaalsContact O-N 3.12Å; F143-P145 VanDerWaalsContact O-CD 3.24Å; F143-P145 WeakPolarHBondContact O-CD 3.42Å; F143-P145 VanDerWaalsContact O-N 3.11Å; F143-W149 HydrophobicContact CD1-CH2 4.41Å; F143-Y222 HydrophobicContact CB-CD1 4.46Å; F143-Y222 HydrophobicContact CB-CE1 4.08Å; F143-Y222 HydrophobicContact CD2-CD2 4.47Å; F143-Y222 AromaticContact CD2-CE1 3.8Å; F143-Y222 HydrophobicContact CD2-CE1 3.8Å; F143-Y222 AromaticContact CD2-CE2 3.74Å; F143-Y222 HydrophobicContact CD2-CE2 3.74Å; F143-Y222 AromaticContact CD2-CZ 3.35Å; F143-Y222 WeakPolarHBondContact CD2-OH 3.36Å; F143-Y222 HydrophobicContact CE2-CD2 4.43Å; F143-Y222 AromaticContact CE2-CE2 3.66Å; F143-Y222 HydrophobicContact CE2-CE2 3.66Å; F143-Y222 AromaticContact CE2-CZ 3.74Å; F143-Y222 HydrophobicContact CG-CE1 4.25Å; F143-Y222 HydrophobicContact CZ-CE2 4.47Å | ||
| 144 | D | 57.7 | Low | 68.8 | Low | 82 Ų | 82 | 70.9 Ų | 70.9 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | trans | -60.2 | 115.9 | 167.4 | -70.6 | -40.3 | 0 | 0 | 0 | 109.7 | R139 D142 S146 S147 | R139-D144 IonicContact NH1-OD2 3.84Å; D142-D144 PolarHBondContact O-N 3.34Å; D144-S146 PolarHBondContact O-N 3.47Å; D144-S147 PolarHBondContact O-N 3.25Å | ||
| 145 | P | 54.8 | Low | 68.7 | Low | 60 Ų | 60 | 71.5 Ų | 71.5 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.5 | 175.7 | 22.7 | -34.1 | 0 | 0 | 0 | 113 | S19 F143 S147 | S19-P145 VanDerWaalsContact CB-CG 3.44Å; S19-P145 WeakPolarHBondContact OG-CB 3.47Å; S19-P145 WeakPolarHBondContact OG-CD 3.43Å; S19-P145 WeakPolarHBondContact OG-CG 3.26Å; F143-P145 VanDerWaalsContact O-CD 3.24Å; F143-P145 WeakPolarHBondContact O-CD 3.42Å; F143-P145 VanDerWaalsContact O-N 3.11Å; P145-S147 PolarHBondContact O-N 2.86Å |
| 146 | S | 58.1 | Low | 68.9 | Low | 103 Ų | 103 | 72.3 Ų | 72.3 | 72% | 0.72 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.5 | -173.1 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | D144 P148 | D144-S146 PolarHBondContact O-N 3.47Å; S146-P148 WeakPolarHBondContact O-CD 3.34Å |
| 147 | S | 65.3 | Low | 69.1 | Low | 20 Ų | 20 | 71 Ų | 71 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | trans | -77.2 | 121.3 | -173.4 | -145 | 0 | 0 | 0 | 0 | 111.9 | D144 P145 W149 | D144-S147 PolarHBondContact O-N 3.25Å; P145-S147 PolarHBondContact O-N 2.86Å; S147-W149 VanDerWaalsContact CB-CD1 3.43Å; S147-W149 PolarHBondContact O-N 3.29Å; S147-W149 VanDerWaalsContact O-N 3.07Å; S147-W149 PolarHBondContact OG-NE1 3.47Å | ||
| 148 | P | 66.7 | Low | 69.1 | Low | 103 Ų | 103 | 69.4 Ų | 69.4 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.5 | -169.3 | 26.7 | -35.5 | 0 | 0 | 0 | 114.4 | S146 R150 P151 | S146-P148 WeakPolarHBondContact O-CD 3.34Å; P148-R150 VanDerWaalsContact C-N 3.31Å; P148-R150 PolarHBondContact O-N 3.43Å; P148-P151 WeakPolarHBondContact O-CD 3.5Å; P148-P151 WeakPolarHBondContact O-CG 3.45Å |
| 149 | W | 71.2 | Confident | 69.4 | Low | 49 Ų | 49 | 66.3 Ų | 66.3 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -28.7 | -178.5 | 59.1 | -96 | 0 | 0 | 0 | 113 | L135 F143 S147 F152 L153 | L135-W149 HydrophobicContact CD1-CD2 3.96Å; L135-W149 HydrophobicContact CD1-CE3 3.7Å; L135-W149 HydrophobicContact CD1-CH2 4.35Å; L135-W149 HydrophobicContact CD1-CZ3 3.89Å; F143-W149 HydrophobicContact CD1-CH2 4.41Å; S147-W149 VanDerWaalsContact CB-CD1 3.43Å; S147-W149 PolarHBondContact O-N 3.29Å; S147-W149 VanDerWaalsContact O-N 3.07Å; S147-W149 PolarHBondContact OG-NE1 3.47Å; W149-F152 PolarHBondContact O-N 3.18Å; W149-L153 HydrophobicContact CE3-CD1 3.84Å; W149-L153 HydrophobicContact CZ3-CD1 4.28Å; W149-L153 WeakPolarHBondContact O-CG 3.45Å; W149-L153 PolarHBondContact O-N 3.31Å |
| 150 | R | 67.6 | Low | 70.1 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 25% | 0.253 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -58.4 | -179 | -66.3 | -175.6 | 76.4 | -132.1 | 0.2 | 113.9 | P148 F152 L153 S154 | P148-R150 VanDerWaalsContact C-N 3.31Å; P148-R150 PolarHBondContact O-N 3.43Å; R150-F152 PolarHBondContact O-N 3.03Å; R150-L153 PolarHBondContact O-N 2.94Å; R150-S154 PolarHBondContact O-N 3.07Å |
| 151 | P | 71.9 | Confident | 70.7 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -30.4 | 177.9 | 25.6 | -35.2 | 0 | 0 | 0 | 111.6 | P148 S154 T155 | P148-P151 WeakPolarHBondContact O-CD 3.5Å; P148-P151 WeakPolarHBondContact O-CG 3.45Å; P151-S154 PolarHBondContact O-N 3.06Å; P151-T155 WeakPolarHBondContact O-CB 3.48Å; P151-T155 PolarHBondContact O-N 2.89Å; P151-T155 PolarHBondContact O-OG1 3.47Å |
| 152 | F | 80.1 | Confident | 71.8 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.6 | -50.5 | 174.9 | -175.8 | -103.5 | 0 | 0 | 0 | 112.2 | W149 R150 S154 T155 I156 | W149-F152 PolarHBondContact O-N 3.18Å; R150-F152 PolarHBondContact O-N 3.03Å; F152-S154 VanDerWaalsContact C-N 3.34Å; F152-S154 PolarHBondContact O-N 3.3Å; F152-T155 PolarHBondContact O-N 3.12Å; F152-I156 HydrophobicContact CD1-CD1 3.83Å; F152-I156 HydrophobicContact CE1-CD1 3.41Å; F152-I156 VanDerWaalsContact CE1-CD1 3.41Å; F152-I156 HydrophobicContact CE1-CG1 4.5Å; F152-I156 HydrophobicContact CZ-CD1 3.83Å; F152-I156 WeakPolarHBondContact O-CG1 3.39Å; F152-I156 PolarHBondContact O-N 3.39Å |
| 153 | L | 78.5 | Confident | 72.8 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.1 | -70.2 | -178.4 | 0 | 0 | 0 | 111.5 | V128 I131 N132 W149 R150 T155 I156 V157 | V128-L153 HydrophobicContact CG1-CB 4.45Å; V128-L153 HydrophobicContact CG1-CD2 4.45Å; V128-L153 HydrophobicContact CG2-CD2 4.44Å; I131-L153 HydrophobicContact CG2-CD1 4.37Å; N132-L153 VanDerWaalsContact OD1-CD1 3.31Å; N132-L153 WeakPolarHBondContact OD1-CD1 3.42Å; W149-L153 HydrophobicContact CE3-CD1 3.84Å; W149-L153 HydrophobicContact CZ3-CD1 4.28Å; W149-L153 WeakPolarHBondContact O-CG 3.45Å; W149-L153 PolarHBondContact O-N 3.31Å; R150-L153 PolarHBondContact O-N 2.94Å; L153-T155 VanDerWaalsContact C-N 3.34Å; L153-T155 PolarHBondContact O-N 3.46Å; L153-I156 PolarHBondContact O-N 2.9Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.35Å; L153-V157 PolarHBondContact O-N 3.4Å |
| 154 | S | 76.2 | Confident | 73.8 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | R150 P151 F152 I156 V157 I158 S203 L207 | R150-S154 PolarHBondContact O-N 3.07Å; P151-S154 PolarHBondContact O-N 3.06Å; F152-S154 VanDerWaalsContact C-N 3.34Å; F152-S154 PolarHBondContact O-N 3.3Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 2.82Å; S154-V157 PolarHBondContact O-N 3.27Å; S154-V157 VanDerWaalsContact O-N 3.14Å; S154-I158 VanDerWaalsContact O-CG1 3.28Å; S154-I158 WeakPolarHBondContact O-CG1 3.36Å; S154-I158 PolarHBondContact O-N 2.97Å; S154-S203 PolarHBondContact OG-O 3.48Å; S154-L207 WeakPolarHBondContact OG-CG 3.44Å |
| 155 | T | 81.4 | Confident | 74.7 | Confident | 83 Ų | 83 | 56 Ų | 56 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | P151 F152 L153 V157 I158 A159 | P151-T155 WeakPolarHBondContact O-CB 3.48Å; P151-T155 PolarHBondContact O-N 2.89Å; P151-T155 PolarHBondContact O-OG1 3.47Å; F152-T155 PolarHBondContact O-N 3.12Å; L153-T155 VanDerWaalsContact C-N 3.34Å; L153-T155 PolarHBondContact O-N 3.46Å; T155-V157 VanDerWaalsContact C-N 3.33Å; T155-V157 PolarHBondContact O-N 3.42Å; T155-I158 PolarHBondContact O-N 3.14Å; T155-A159 WeakPolarHBondContact O-CB 3.38Å; T155-A159 PolarHBondContact O-N 3Å |
| 156 | I | 81.5 | Confident | 75.8 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.6 | -70.4 | 168.9 | 0 | 0 | 0 | 110.7 | V124 F152 L153 S154 A159 S160 | V124-I156 HydrophobicContact CG1-CG2 3.85Å; F152-I156 HydrophobicContact CD1-CD1 3.83Å; F152-I156 HydrophobicContact CE1-CD1 3.41Å; F152-I156 VanDerWaalsContact CE1-CD1 3.41Å; F152-I156 HydrophobicContact CE1-CG1 4.5Å; F152-I156 HydrophobicContact CZ-CD1 3.83Å; F152-I156 WeakPolarHBondContact O-CG1 3.39Å; F152-I156 PolarHBondContact O-N 3.39Å; L153-I156 PolarHBondContact O-N 2.9Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 2.82Å; I156-A159 PolarHBondContact O-N 3.36Å; I156-S160 VanDerWaalsContact O-CB 3.31Å; I156-S160 WeakPolarHBondContact O-CB 3.35Å; I156-S160 PolarHBondContact O-N 3.19Å |
| 157 | V | 77.9 | Confident | 76.6 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 179.2 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | V128 L153 S154 T155 S160 T161 S203 | V128-V157 HydrophobicContact CB-CG2 4.45Å; V128-V157 HydrophobicContact CG1-CG2 3.91Å; V128-V157 HydrophobicContact CG2-CG2 4.3Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.35Å; L153-V157 PolarHBondContact O-N 3.4Å; S154-V157 PolarHBondContact O-N 3.27Å; S154-V157 VanDerWaalsContact O-N 3.14Å; T155-V157 VanDerWaalsContact C-N 3.33Å; T155-V157 PolarHBondContact O-N 3.42Å; V157-S160 PolarHBondContact O-N 3.36Å; V157-T161 WeakPolarHBondContact O-CB 3.49Å; V157-T161 PolarHBondContact O-N 3.25Å; V157-T161 PolarHBondContact O-OG1 3.44Å; V157-S203 WeakPolarHBondContact CG1-OG 3.44Å |
| 158 | I | 80.5 | Confident | 77 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 29% | 0.292 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 176.7 | -67.1 | 168.6 | 0 | 0 | 0 | 110.7 | S154 T155 S160 T161 L162 L207 | S154-I158 VanDerWaalsContact O-CG1 3.28Å; S154-I158 WeakPolarHBondContact O-CG1 3.36Å; S154-I158 PolarHBondContact O-N 2.97Å; T155-I158 PolarHBondContact O-N 3.14Å; I158-S160 VanDerWaalsContact C-N 3.32Å; I158-S160 PolarHBondContact O-N 2.9Å; I158-T161 WeakPolarHBondContact O-CB 3.32Å; I158-T161 PolarHBondContact O-N 2.7Å; I158-T161 VanDerWaalsContact O-N 3.07Å; I158-L162 HydrophobicContact CG2-CD1 4.45Å; I158-L162 WeakPolarHBondContact O-CG 3.42Å; I158-L162 PolarHBondContact O-N 2.88Å; I158-L207 HydrophobicContact CD1-CD1 3.47Å; I158-L207 VanDerWaalsContact CD1-CD1 3.47Å |
| 159 | A | 82.5 | Confident | 77.4 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T155 I156 T161 L162 L163 | T155-A159 WeakPolarHBondContact O-CB 3.38Å; T155-A159 PolarHBondContact O-N 3Å; I156-A159 PolarHBondContact O-N 3.36Å; A159-T161 VanDerWaalsContact C-N 3.3Å; A159-T161 PolarHBondContact O-N 2.85Å; A159-L162 PolarHBondContact O-N 3.11Å; A159-L163 PolarHBondContact O-N 3.02Å; A159-L163 VanDerWaalsContact O-N 3.12Å |
| 160 | S | 82.1 | Confident | 77.9 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 174.9 | -177 | 0 | 0 | 0 | 0 | 112.2 | I156 V157 I158 L163 A164 | I156-S160 VanDerWaalsContact O-CB 3.31Å; I156-S160 WeakPolarHBondContact O-CB 3.35Å; I156-S160 PolarHBondContact O-N 3.19Å; V157-S160 PolarHBondContact O-N 3.36Å; I158-S160 VanDerWaalsContact C-N 3.32Å; I158-S160 PolarHBondContact O-N 2.9Å; S160-L163 PolarHBondContact O-N 3.31Å; S160-A164 WeakPolarHBondContact O-CB 3.08Å; S160-A164 PolarHBondContact O-N 2.89Å |
| 161 | T | 78.3 | Confident | 78.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | R125 V157 I158 A159 L163 A164 I165 L196 N199 V200 | R125-T161 PolarHBondContact NH2-OG1 3.14Å; V157-T161 WeakPolarHBondContact O-CB 3.49Å; V157-T161 PolarHBondContact O-N 3.25Å; V157-T161 PolarHBondContact O-OG1 3.44Å; I158-T161 WeakPolarHBondContact O-CB 3.32Å; I158-T161 PolarHBondContact O-N 2.7Å; I158-T161 VanDerWaalsContact O-N 3.07Å; A159-T161 VanDerWaalsContact C-N 3.3Å; A159-T161 PolarHBondContact O-N 2.85Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 3.27Å; T161-A164 WeakPolarHBondContact O-CB 3.2Å; T161-A164 PolarHBondContact O-N 3.15Å; T161-A164 VanDerWaalsContact O-N 3.14Å; T161-I165 WeakPolarHBondContact O-CG1 3.29Å; T161-I165 PolarHBondContact O-N 3.19Å; T161-L196 HydrophobicContact CG2-CG 4.32Å; T161-N199 HydrophobicContact CG2-CB 4.35Å; T161-V200 HydrophobicContact CG2-CG2 3.7Å |
| 162 | L | 80.9 | Confident | 78.2 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.1 | -43 | 173.8 | -69.4 | 174.6 | 0 | 0 | 0 | 112 | I158 A159 A164 I165 Y166 | I158-L162 HydrophobicContact CG2-CD1 4.45Å; I158-L162 WeakPolarHBondContact O-CG 3.42Å; I158-L162 PolarHBondContact O-N 2.88Å; A159-L162 PolarHBondContact O-N 3.11Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 3.41Å; L162-I165 HydrophobicContact CD2-CD1 4.25Å; L162-I165 WeakPolarHBondContact O-CB 2.96Å; L162-I165 PolarHBondContact O-N 3.08Å; L162-Y166 PolarHBondContact O-N 2.72Å; L162-Y166 VanDerWaalsContact O-N 3.14Å |
| 163 | L | 80.7 | Confident | 78.1 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 176.6 | -172 | 52.6 | 0 | 0 | 0 | 112.3 | A159 S160 T161 Y166 S167 | A159-L163 PolarHBondContact O-N 3.02Å; A159-L163 VanDerWaalsContact O-N 3.12Å; S160-L163 PolarHBondContact O-N 3.31Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 3.27Å; L163-Y166 PolarHBondContact O-N 2.9Å; L163-S167 PolarHBondContact O-N 3.11Å; L163-S167 PolarHBondContact O-OG 3.25Å |
| 164 | A | 75.1 | Confident | 78.2 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V118 I121 S160 T161 L162 Y166 S167 V168 | V118-A164 HydrophobicContact CG1-CB 3.79Å; I121-A164 HydrophobicContact CB-CB 4.31Å; I121-A164 HydrophobicContact CD1-CB 3.69Å; I121-A164 HydrophobicContact CG1-CB 4.48Å; S160-A164 WeakPolarHBondContact O-CB 3.08Å; S160-A164 PolarHBondContact O-N 2.89Å; T161-A164 WeakPolarHBondContact O-CB 3.2Å; T161-A164 PolarHBondContact O-N 3.15Å; T161-A164 VanDerWaalsContact O-N 3.14Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 3.41Å; A164-Y166 VanDerWaalsContact C-N 3.32Å; A164-Y166 PolarHBondContact O-N 3.23Å; A164-S167 PolarHBondContact O-N 3.16Å; A164-V168 WeakPolarHBondContact O-CB 3.37Å; A164-V168 VanDerWaalsContact O-CG2 3.26Å; A164-V168 WeakPolarHBondContact O-CG2 3.5Å; A164-V168 PolarHBondContact O-N 3.1Å |
| 165 | I | 76.7 | Confident | 77.9 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.6 | -50.9 | 173.2 | -64.1 | 172.1 | 0 | 0 | 0 | 109.9 | T161 L162 S167 V168 N169 L196 | T161-I165 WeakPolarHBondContact O-CG1 3.29Å; T161-I165 PolarHBondContact O-N 3.19Å; L162-I165 HydrophobicContact CD2-CD1 4.25Å; L162-I165 WeakPolarHBondContact O-CB 2.96Å; L162-I165 PolarHBondContact O-N 3.08Å; I165-S167 VanDerWaalsContact C-N 3.31Å; I165-S167 PolarHBondContact O-N 3.39Å; I165-V168 PolarHBondContact O-N 2.93Å; I165-N169 VanDerWaalsContact O-CG 3.28Å; I165-N169 PolarHBondContact O-N 3.04Å; I165-N169 PolarHBondContact O-ND2 3.24Å; I165-L196 HydrophobicContact CB-CD1 4.09Å; I165-L196 HydrophobicContact CD1-CD1 4.4Å; I165-L196 HydrophobicContact CD1-CD2 3.72Å; I165-L196 HydrophobicContact CD1-CG 4.48Å; I165-L196 HydrophobicContact CG1-CD1 3.25Å; I165-L196 HydrophobicContact CG1-CD2 3.43Å; I165-L196 VanDerWaalsContact CG1-CD2 3.43Å; I165-L196 HydrophobicContact CG1-CG 3.79Å |
| 166 | Y | 78.7 | Confident | 77.5 | Confident | 157 Ų | 157 | 58.5 Ų | 58.5 | 62% | 0.616 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.1 | -47.4 | 179.4 | 174.9 | -100.6 | 0 | 0 | 0 | 111.4 | L162 L163 A164 N169 V170 | L162-Y166 PolarHBondContact O-N 2.72Å; L162-Y166 VanDerWaalsContact O-N 3.14Å; L163-Y166 PolarHBondContact O-N 2.9Å; A164-Y166 VanDerWaalsContact C-N 3.32Å; A164-Y166 PolarHBondContact O-N 3.23Å; Y166-N169 PolarHBondContact O-N 3.32Å; Y166-V170 HydrophobicContact CE1-CG2 4.13Å; Y166-V170 HydrophobicContact CE2-CG2 4.21Å; Y166-V170 WeakPolarHBondContact O-CG2 3.37Å; Y166-V170 PolarHBondContact O-N 3.3Å; Y166-V170 VanDerWaalsContact O-N 3.1Å |
| 167 | S | 75.2 | Confident | 77 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 179.3 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | L163 A164 I165 N169 V170 I171 | L163-S167 PolarHBondContact O-N 3.11Å; L163-S167 PolarHBondContact O-OG 3.25Å; A164-S167 PolarHBondContact O-N 3.16Å; I165-S167 VanDerWaalsContact C-N 3.31Å; I165-S167 PolarHBondContact O-N 3.39Å; S167-N169 VanDerWaalsContact C-N 3.33Å; S167-N169 PolarHBondContact O-N 3.02Å; S167-V170 PolarHBondContact O-N 3.24Å; S167-I171 WeakPolarHBondContact O-CD1 2.99Å; S167-I171 WeakPolarHBondContact O-CG1 3.46Å; S167-I171 PolarHBondContact O-N 3.33Å |
| 168 | V | 72.7 | Confident | 76.4 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | V118 A164 I165 I171 H172 Q192 | V118-V168 HydrophobicContact CG2-CG2 4.42Å; A164-V168 WeakPolarHBondContact O-CB 3.37Å; A164-V168 VanDerWaalsContact O-CG2 3.26Å; A164-V168 WeakPolarHBondContact O-CG2 3.5Å; A164-V168 PolarHBondContact O-N 3.1Å; I165-V168 PolarHBondContact O-N 2.93Å; V168-I171 PolarHBondContact O-N 3.31Å; V168-H172 VanDerWaalsContact O-CB 3.3Å; V168-H172 WeakPolarHBondContact O-CB 3.41Å; V168-H172 PolarHBondContact O-N 3.38Å; V168-Q192 HydrophobicContact CG1-CB 4.22Å |
| 169 | N | 76.5 | Confident | 75.5 | Confident | 93 Ų | 93 | 69 Ų | 69 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 177.9 | -71.5 | -17.5 | 0 | 0 | 0 | 112 | I165 Y166 S167 I171 H172 E173 | I165-N169 VanDerWaalsContact O-CG 3.28Å; I165-N169 PolarHBondContact O-N 3.04Å; I165-N169 PolarHBondContact O-ND2 3.24Å; Y166-N169 PolarHBondContact O-N 3.32Å; S167-N169 VanDerWaalsContact C-N 3.33Å; S167-N169 PolarHBondContact O-N 3.02Å; N169-I171 VanDerWaalsContact C-N 3.33Å; N169-I171 PolarHBondContact O-N 3.37Å; N169-H172 PolarHBondContact O-N 3.3Å; N169-E173 PolarHBondContact O-N 2.96Å; N169-E173 VanDerWaalsContact O-N 3.15Å |
| 170 | V | 80.6 | Confident | 74.6 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | Y166 S167 A174 | Y166-V170 HydrophobicContact CE1-CG2 4.13Å; Y166-V170 HydrophobicContact CE2-CG2 4.21Å; Y166-V170 WeakPolarHBondContact O-CG2 3.37Å; Y166-V170 PolarHBondContact O-N 3.3Å; Y166-V170 VanDerWaalsContact O-N 3.1Å; S167-V170 PolarHBondContact O-N 3.24Å; V170-A174 PolarHBondContact O-N 2.79Å; V170-A174 VanDerWaalsContact O-N 3.12Å |
| 171 | I | 74.1 | Confident | 73.6 | Confident | 22 Ų | 22 | 80 Ų | 80 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 176.6 | -65.4 | 153.2 | 0 | 0 | 0 | 111.2 | L117 S167 V168 N169 E173 A174 A175 | L117-I171 HydrophobicContact CB-CD1 3.33Å; L117-I171 HydrophobicContact CB-CG1 4.06Å; L117-I171 HydrophobicContact CD1-CB 4.13Å; L117-I171 HydrophobicContact CD1-CD1 3.72Å; L117-I171 HydrophobicContact CD1-CG1 3.52Å; L117-I171 HydrophobicContact CD1-CG2 3.5Å; L117-I171 VanDerWaalsContact CD1-CG2 3.5Å; L117-I171 HydrophobicContact CD2-CD1 3.48Å; L117-I171 VanDerWaalsContact CD2-CD1 3.48Å; L117-I171 HydrophobicContact CD2-CG1 3.28Å; L117-I171 HydrophobicContact CG-CD1 3.59Å; L117-I171 HydrophobicContact CG-CG1 3.7Å; S167-I171 WeakPolarHBondContact O-CD1 2.99Å; S167-I171 WeakPolarHBondContact O-CG1 3.46Å; S167-I171 PolarHBondContact O-N 3.33Å; V168-I171 PolarHBondContact O-N 3.31Å; N169-I171 VanDerWaalsContact C-N 3.33Å; N169-I171 PolarHBondContact O-N 3.37Å; I171-E173 VanDerWaalsContact C-N 3.28Å; I171-E173 PolarHBondContact O-N 2.98Å; I171-A174 CarbonylContact O-C 3.49Å; I171-A174 PolarHBondContact O-N 2.99Å; I171-A174 VanDerWaalsContact O-N 3.14Å; I171-A175 WeakPolarHBondContact O-CB 3.2Å; I171-A175 PolarHBondContact O-N 2.77Å |
| 172 | H | 72.4 | Confident | 72.8 | Confident | 61 Ų | 61 | 82.3 Ų | 82.3 | 28% | 0.282 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | -177.3 | -179.8 | 73.9 | 0 | 0 | 0 | 110.4 | V168 N169 A175 K176 A189 | V168-H172 VanDerWaalsContact O-CB 3.3Å; V168-H172 WeakPolarHBondContact O-CB 3.41Å; V168-H172 PolarHBondContact O-N 3.38Å; N169-H172 PolarHBondContact O-N 3.3Å; H172-A175 PolarHBondContact O-N 3.39Å; H172-K176 WeakPolarHBondContact O-CB 3.45Å; H172-K176 PolarHBondContact O-N 2.9Å; H172-A189 WeakPolarHBondContact ND1-CB 3.38Å |
| 173 | E | 78.7 | Confident | 72 | Confident | 120 Ų | 120 | 84.3 Ų | 84.3 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 175.4 | -70.2 | -60.2 | 160.4 | 0 | 0 | 112.3 | N169 I171 | N169-E173 PolarHBondContact O-N 2.96Å; N169-E173 VanDerWaalsContact O-N 3.15Å; I171-E173 VanDerWaalsContact C-N 3.28Å; I171-E173 PolarHBondContact O-N 2.98Å |
| 174 | A | 78.7 | Confident | 71.2 | Confident | 59 Ų | 59 | 81.5 Ų | 81.5 | 49% | 0.488 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | V170 I171 H178 | V170-A174 PolarHBondContact O-N 2.79Å; V170-A174 VanDerWaalsContact O-N 3.12Å; I171-A174 CarbonylContact O-C 3.49Å; I171-A174 PolarHBondContact O-N 2.99Å; I171-A174 VanDerWaalsContact O-N 3.14Å; A174-H178 PolarHBondContact O-ND1 2.9Å; A174-H178 VanDerWaalsContact O-ND1 3.14Å |
| 175 | A | 71.4 | Confident | 70.7 | Confident | 26 Ų | 26 | 82.6 Ų | 82.6 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75 | -33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I171 H172 L177 H178 L179 | I171-A175 WeakPolarHBondContact O-CB 3.2Å; I171-A175 PolarHBondContact O-N 2.77Å; H172-A175 PolarHBondContact O-N 3.39Å; A175-L177 PolarHBondContact O-N 3.3Å; A175-H178 PolarHBondContact O-N 3.16Å; A175-H178 VanDerWaalsContact O-N 3.12Å; A175-L179 HydrophobicContact CB-CD1 4.22Å; A175-L179 WeakPolarHBondContact O-CB 3.3Å; A175-L179 PolarHBondContact O-N 3.48Å |
| 176 | K | 71.8 | Confident | 70.2 | Confident | 104 Ų | 104 | 83.9 Ų | 83.9 | 45% | 0.452 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.3 | -35.9 | 177.1 | -174.3 | 176.9 | 176.2 | -176.4 | 0 | 112.1 | H172 | H172-K176 WeakPolarHBondContact O-CB 3.45Å; H172-K176 PolarHBondContact O-N 2.9Å |
| 177 | L | 71.2 | Confident | 69.7 | Low | 146 Ų | 146 | 76.9 Ų | 76.9 | 76% | 0.764 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 178.9 | -168 | 71.2 | 0 | 0 | 0 | 112.9 | A175 | A175-L177 PolarHBondContact O-N 3.3Å |
| 178 | H | 66.3 | Low | 69.3 | Low | 147 Ų | 147 | 80.1 Ų | 80.1 | 68% | 0.681 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -93.6 | -28 | -172.4 | -64.9 | 89.4 | 0 | 0 | 0 | 113.4 | A174 A175 | A174-H178 PolarHBondContact O-ND1 2.9Å; A174-H178 VanDerWaalsContact O-ND1 3.14Å; A175-H178 PolarHBondContact O-N 3.16Å; A175-H178 VanDerWaalsContact O-N 3.12Å |
| 179 | L | 61.8 | Low | 69.1 | Low | 61 Ų | 61 | 79.7 Ų | 79.7 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -110.5 | 10.2 | -170 | -67.6 | 165.3 | 0 | 0 | 0 | 113.9 | A175 K181 F182 H185 | A175-L179 HydrophobicContact CB-CD1 4.22Å; A175-L179 WeakPolarHBondContact O-CB 3.3Å; A175-L179 PolarHBondContact O-N 3.48Å; L179-K181 PolarHBondContact O-N 3.44Å; L179-F182 PolarHBondContact O-N 2.91Å; L179-H185 HydrophobicContact CB-CB 3.86Å; L179-H185 PolarHBondContact O-ND1 3.47Å |
| 180 | Y | 62 | Low | 68.9 | Low | 180 Ų | 180 | 78.6 Ų | 78.6 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -53.2 | -39.8 | 174.3 | -174.8 | -99.2 | 0 | 0 | 0 | 111.4 | F182 R183 | Y180-F182 PolarHBondContact O-N 3.43Å; Y180-R183 PolarHBondContact O-N 3.32Å |
| 181 | K | 61.4 | Low | 68.3 | Low | 121 Ų | 121 | 75.8 Ų | 75.8 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -60.8 | -37.2 | -178.4 | -166.7 | 172.3 | -178.1 | 179.2 | 0 | 113.8 | L179 | L179-K181 PolarHBondContact O-N 3.44Š|
| 182 | F | 63 | Low | 68.2 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -92.1 | -1.4 | -172.6 | -75.3 | -74.4 | 0 | 0 | 0 | 115 | L179 Y180 M184 N253 L284 | L179-F182 PolarHBondContact O-N 2.91Å; Y180-F182 PolarHBondContact O-N 3.43Å; F182-M184 HydrophobicContact CB-CB 4.42Å; F182-M184 HydrophobicContact CB-CG 4.49Å; F182-M184 WeakPolarHBondContact O-CG 3.34Å; F182-M184 PolarHBondContact O-N 3.21Å; F182-N253 PolarHBondContact O-OD1 3.07Å; F182-L284 HydrophobicContact CZ-CD1 4.41Å |
| 183 | R | 63.9 | Low | 68.2 | Low | 150 Ų | 150 | 77.6 Ų | 77.6 | 57% | 0.566 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 50 | -6.7 | -172.1 | -79.9 | -175.3 | 141.1 | -173.5 | -6.1 | 116.8 | Y180 H185 I186 | Y180-R183 PolarHBondContact O-N 3.32Å; R183-H185 VanDerWaalsContact C-N 3.27Å; R183-H185 PolarHBondContact O-N 3.1Å; R183-I186 PolarHBondContact O-N 3.32Å |
| 184 | M | 63.4 | Low | 67.8 | Low | 22 Ų | 22 | 73.2 Ų | 73.2 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.8 | -21.1 | -179.4 | -78 | -61.5 | -161.8 | 0 | 0 | 113.2 | L75 F182 I186 V187 M188 N253 M255 | L75-M184 HydrophobicContact CD2-CE 4.31Å; F182-M184 HydrophobicContact CB-CB 4.42Å; F182-M184 HydrophobicContact CB-CG 4.49Å; F182-M184 WeakPolarHBondContact O-CG 3.34Å; F182-M184 PolarHBondContact O-N 3.21Å; M184-I186 PolarHBondContact O-N 3.02Å; M184-V187 PolarHBondContact O-N 3.27Å; M184-V187 VanDerWaalsContact O-N 3.13Å; M184-M188 WeakPolarHBondContact O-CB 3.38Å; M184-M188 PolarHBondContact O-N 3.48Å; M184-N253 WeakPolarHBondContact CE-ND2 3.46Å; M184-N253 PolarHBondContact SD-ND2 3.01Å; M184-M255 HydrophobicContact CE-CB 3.93Å; M184-M255 HydrophobicContact CE-CE 3.25Å; M184-M255 HydrophobicContact CE-CG 4.13Å; M184-M255 HydrophobicContact CE-SD 3.17Å; M184-M255 WeakPolarHBondContact CE-SD 3.08Å; M184-M255 HydrophobicContact CG-CE 3.53Å; M184-M255 HydrophobicContact SD-CE 4.02Å |
| 185 | H | 64.1 | Low | 67.5 | Low | 27 Ų | 27 | 72.3 Ų | 72.3 | 13% | 0.125 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.4 | -35.1 | 175.7 | 64 | -88 | 0 | 0 | 0 | 111.4 | L179 R183 A189 | L179-H185 HydrophobicContact CB-CB 3.86Å; L179-H185 PolarHBondContact O-ND1 3.47Å; R183-H185 VanDerWaalsContact C-N 3.27Å; R183-H185 PolarHBondContact O-N 3.1Å; H185-A189 WeakPolarHBondContact O-CB 3.42Å; H185-A189 PolarHBondContact O-N 3.22Å |
| 186 | I | 66.6 | Low | 67.5 | Low | 81 Ų | 81 | 72.5 Ų | 72.5 | 42% | 0.415 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 177.5 | -55.5 | -179.4 | 0 | 0 | 0 | 110.3 | R183 M184 A189 F190 | R183-I186 PolarHBondContact O-N 3.32Å; M184-I186 PolarHBondContact O-N 3.02Å; I186-A189 PolarHBondContact O-N 3.02Å; I186-F190 WeakPolarHBondContact O-CB 3.36Å; I186-F190 PolarHBondContact O-N 3.34Å |
| 187 | V | 67.6 | Low | 67.6 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -44.3 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | M184 F190 M191 F247 | M184-V187 PolarHBondContact O-N 3.27Å; M184-V187 VanDerWaalsContact O-N 3.13Å; V187-F190 PolarHBondContact O-N 3.46Å; V187-M191 HydrophobicContact CG1-CG 4.42Å; V187-M191 WeakPolarHBondContact O-CB 3.32Å; V187-M191 WeakPolarHBondContact O-CG 3.2Å; V187-M191 PolarHBondContact O-N 3.34Å; V187-F247 HydrophobicContact CG2-CB 3.46Å; V187-F247 VanDerWaalsContact CG2-CB 3.46Å; V187-F247 HydrophobicContact CG2-CG 4.29Å |
| 188 | M | 67.8 | Low | 67.7 | Low | 102 Ų | 102 | 63.9 Ų | 63.9 | 50% | 0.502 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.3 | -164.2 | 177 | -140.2 | 0 | 0 | 111.8 | M184 M191 Q192 | M184-M188 WeakPolarHBondContact O-CB 3.38Å; M184-M188 PolarHBondContact O-N 3.48Å; M188-M191 PolarHBondContact O-N 3.24Å; M188-Q192 WeakPolarHBondContact O-CG 3.34Å; M188-Q192 PolarHBondContact O-N 3.03Å |
| 189 | A | 68.9 | Low | 67.9 | Low | 9 Ų | 9 | 57.4 Ų | 57.4 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | H172 H185 I186 M191 Q192 I193 | H172-A189 WeakPolarHBondContact ND1-CB 3.38Å; H185-A189 WeakPolarHBondContact O-CB 3.42Å; H185-A189 PolarHBondContact O-N 3.22Å; I186-A189 PolarHBondContact O-N 3.02Å; A189-M191 PolarHBondContact O-N 2.97Å; A189-Q192 WeakPolarHBondContact O-CB 3.36Å; A189-Q192 PolarHBondContact O-N 2.95Å; A189-Q192 VanDerWaalsContact O-N 3.16Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.44Å; A189-I193 PolarHBondContact O-N 3.46Å |
| 190 | F | 71.6 | Confident | 68.4 | Low | 70 Ų | 70 | 57 Ų | 57 | 31% | 0.307 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 178.5 | -169.2 | -106.7 | 0 | 0 | 0 | 111.6 | I186 V187 Q192 I193 V194 M240 L243 | I186-F190 WeakPolarHBondContact O-CB 3.36Å; I186-F190 PolarHBondContact O-N 3.34Å; V187-F190 PolarHBondContact O-N 3.46Å; F190-Q192 VanDerWaalsContact C-N 3.32Å; F190-Q192 PolarHBondContact O-N 2.92Å; F190-I193 PolarHBondContact O-N 3.4Å; F190-V194 HydrophobicContact CE1-CG2 4.29Å; F190-V194 HydrophobicContact CZ-CG2 4.25Å; F190-V194 WeakPolarHBondContact O-CG2 3.35Å; F190-V194 PolarHBondContact O-N 3.44Å; F190-M240 HydrophobicContact CD1-CE 3.36Å; F190-M240 HydrophobicContact CD1-SD 3.92Å; F190-M240 HydrophobicContact CE1-CE 3.44Å; F190-M240 VanDerWaalsContact CE1-CE 3.44Å; F190-M240 HydrophobicContact CE1-SD 3.31Å; F190-M240 WeakPolarHBondContact CE1-SD 3.32Å; F190-M240 HydrophobicContact CG-CE 4.38Å; F190-M240 HydrophobicContact CZ-SD 4.07Å; F190-L243 HydrophobicContact CE1-CB 4.18Å; F190-L243 HydrophobicContact CE1-CD1 3.39Å; F190-L243 HydrophobicContact CE1-CG 4.41Å; F190-L243 HydrophobicContact CZ-CD1 3.51Å |
| 191 | M | 68.5 | Low | 69.1 | Low | 20 Ų | 20 | 50 Ų | 50 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 172.2 | -70 | -57 | -170.4 | 0 | 0 | 112.5 | L78 F82 V187 M188 A189 L195 M240 A244 | L78-M191 HydrophobicContact CD2-CG 4.3Å; F82-M191 HydrophobicContact CE1-CE 4.12Å; F82-M191 HydrophobicContact CE1-SD 3.91Å; F82-M191 HydrophobicContact CE2-CE 3.59Å; F82-M191 HydrophobicContact CE2-SD 4.28Å; F82-M191 HydrophobicContact CZ-CE 3.2Å; F82-M191 HydrophobicContact CZ-SD 3.32Å; F82-M191 WeakPolarHBondContact CZ-SD 3.32Å; V187-M191 HydrophobicContact CG1-CG 4.42Å; V187-M191 WeakPolarHBondContact O-CB 3.32Å; V187-M191 WeakPolarHBondContact O-CG 3.2Å; V187-M191 PolarHBondContact O-N 3.34Å; M188-M191 PolarHBondContact O-N 3.24Å; A189-M191 PolarHBondContact O-N 2.97Å; M191-L195 WeakPolarHBondContact O-CB 3.31Å; M191-L195 PolarHBondContact O-N 2.92Å; M191-M240 HydrophobicContact CE-CE 4.3Å; M191-M240 HydrophobicContact CG-CE 4.38Å; M191-M240 HydrophobicContact SD-CE 3.23Å; M191-M240 WeakPolarHBondContact SD-CE 3.2Å; M191-A244 HydrophobicContact CE-CB 3.44Å; M191-A244 VanDerWaalsContact CE-CB 3.44Å |
| 192 | Q | 72.4 | Confident | 69.6 | Low | 29 Ų | 29 | 46 Ų | 46 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 176.9 | -73.4 | 168.6 | 10.3 | 0 | 0 | 112 | F114 V168 M188 A189 F190 L195 L196 | F114-Q192 HydrophobicContact CE1-CG 4.18Å; F114-Q192 HydrophobicContact CZ-CG 4.13Å; V168-Q192 HydrophobicContact CG1-CB 4.22Å; M188-Q192 WeakPolarHBondContact O-CG 3.34Å; M188-Q192 PolarHBondContact O-N 3.03Å; A189-Q192 WeakPolarHBondContact O-CB 3.36Å; A189-Q192 PolarHBondContact O-N 2.95Å; A189-Q192 VanDerWaalsContact O-N 3.16Å; F190-Q192 VanDerWaalsContact C-N 3.32Å; F190-Q192 PolarHBondContact O-N 2.92Å; Q192-L195 PolarHBondContact O-N 3.45Å; Q192-L196 WeakPolarHBondContact O-CB 3.29Å; Q192-L196 PolarHBondContact O-N 3.31Å |
| 193 | I | 72.2 | Confident | 69.9 | Low | 91 Ų | 91 | 43.8 Ų | 43.8 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.9 | -70.3 | 166.2 | 0 | 0 | 0 | 110.4 | A189 F190 L196 V197 | A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.44Å; A189-I193 PolarHBondContact O-N 3.46Å; F190-I193 PolarHBondContact O-N 3.4Å; I193-L196 CarbonylContact O-C 3.59Å; I193-L196 WeakPolarHBondContact O-CA 3.42Å; I193-L196 VanDerWaalsContact O-CB 3.24Å; I193-L196 WeakPolarHBondContact O-CB 3.28Å; I193-L196 PolarHBondContact O-N 2.87Å; I193-L196 VanDerWaalsContact O-N 3.14Å; I193-V197 WeakPolarHBondContact O-CG2 3.49Å; I193-V197 PolarHBondContact O-N 2.98Å |
| 194 | V | 70.1 | Confident | 70.4 | Confident | 28 Ų | 28 | 40.7 Ų | 40.7 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72 | -39 | -180 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | F190 L196 V197 Y198 M240 | F190-V194 HydrophobicContact CE1-CG2 4.29Å; F190-V194 HydrophobicContact CZ-CG2 4.25Å; F190-V194 WeakPolarHBondContact O-CG2 3.35Å; F190-V194 PolarHBondContact O-N 3.44Å; V194-L196 PolarHBondContact O-N 2.68Å; V194-V197 PolarHBondContact O-N 2.88Å; V194-V197 VanDerWaalsContact O-N 3.11Å; V194-Y198 WeakPolarHBondContact O-CB 3.28Å; V194-Y198 PolarHBondContact O-N 3.05Å; V194-M240 HydrophobicContact CB-CE 3.6Å; V194-M240 HydrophobicContact CB-CG 4.26Å; V194-M240 HydrophobicContact CB-SD 3.69Å; V194-M240 HydrophobicContact CG1-CE 4.08Å; V194-M240 HydrophobicContact CG1-CG 3.67Å; V194-M240 HydrophobicContact CG1-SD 3.68Å; V194-M240 HydrophobicContact CG2-CE 3.58Å; V194-M240 HydrophobicContact CG2-CG 4.47Å; V194-M240 HydrophobicContact CG2-SD 3.35Å; V194-M240 WeakPolarHBondContact CG2-SD 3.24Å |
| 195 | L | 71.2 | Confident | 70.7 | Confident | 40 Ų | 40 | 42.1 Ų | 42.1 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -34.1 | 170.1 | -174.5 | 60.1 | 0 | 0 | 0 | 111 | F114 M191 Q192 Y198 N199 | F114-L195 HydrophobicContact CE2-CD2 3.66Å; F114-L195 HydrophobicContact CZ-CD2 4.2Å; M191-L195 WeakPolarHBondContact O-CB 3.31Å; M191-L195 PolarHBondContact O-N 2.92Å; Q192-L195 PolarHBondContact O-N 3.45Å; L195-Y198 HydrophobicContact CD1-CD1 4.2Å; L195-Y198 WeakPolarHBondContact O-CB 3.24Å; L195-N199 WeakPolarHBondContact O-CB 3.22Å; L195-N199 PolarHBondContact O-N 3.17Å; L195-N199 VanDerWaalsContact O-N 3.08Å; L195-N199 PolarHBondContact O-ND2 3.07Å |
| 196 | L | 71.7 | Confident | 70.8 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.7 | -43.7 | 175.3 | -167.3 | 125.4 | 0 | 0 | 0 | 112.8 | T161 I165 Q192 I193 V194 Y198 N199 V200 | T161-L196 HydrophobicContact CG2-CG 4.32Å; I165-L196 HydrophobicContact CB-CD1 4.09Å; I165-L196 HydrophobicContact CD1-CD1 4.4Å; I165-L196 HydrophobicContact CD1-CD2 3.72Å; I165-L196 HydrophobicContact CD1-CG 4.48Å; I165-L196 HydrophobicContact CG1-CD1 3.25Å; I165-L196 HydrophobicContact CG1-CD2 3.43Å; I165-L196 VanDerWaalsContact CG1-CD2 3.43Å; I165-L196 HydrophobicContact CG1-CG 3.79Å; Q192-L196 WeakPolarHBondContact O-CB 3.29Å; Q192-L196 PolarHBondContact O-N 3.31Å; I193-L196 CarbonylContact O-C 3.59Å; I193-L196 WeakPolarHBondContact O-CA 3.42Å; I193-L196 VanDerWaalsContact O-CB 3.24Å; I193-L196 WeakPolarHBondContact O-CB 3.28Å; I193-L196 PolarHBondContact O-N 2.87Å; I193-L196 VanDerWaalsContact O-N 3.14Å; V194-L196 PolarHBondContact O-N 2.68Å; L196-Y198 VanDerWaalsContact C-N 3.35Å; L196-N199 WeakPolarHBondContact O-CB 3.25Å; L196-N199 PolarHBondContact O-N 3.24Å; L196-V200 HydrophobicContact CD2-CG2 4.5Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 3.13Å |
| 197 | V | 73.1 | Confident | 70.8 | Confident | 59 Ų | 59 | 41.8 Ų | 41.8 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | I193 V194 N199 V200 Q201 | I193-V197 WeakPolarHBondContact O-CG2 3.49Å; I193-V197 PolarHBondContact O-N 2.98Å; V194-V197 PolarHBondContact O-N 2.88Å; V194-V197 VanDerWaalsContact O-N 3.11Å; V197-N199 VanDerWaalsContact C-N 3.28Å; V197-N199 PolarHBondContact O-N 3.36Å; V197-V200 PolarHBondContact O-N 3.22Å; V197-V200 VanDerWaalsContact O-N 3.11Å; V197-Q201 HydrophobicContact CG1-CG 4.38Å; V197-Q201 WeakPolarHBondContact O-CG 3.21Å; V197-Q201 PolarHBondContact O-N 3.41Å |
| 198 | Y | 73.7 | Confident | 70.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.7 | -47.4 | 173.6 | 167.9 | -95.6 | 0 | 0 | 0 | 112.1 | Y85 V194 L195 L196 V200 Q201 S202 H229 V233 | Y85-Y198 HydrophobicContact CE1-CE2 4.42Å; Y85-Y198 HydrophobicContact CE2-CE1 4.33Å; Y85-Y198 HydrophobicContact CE2-CE2 4.28Å; Y85-Y198 AromaticContact CZ-CE2 3.65Å; Y85-Y198 AromaticContact CZ-CZ 3.71Å; Y85-Y198 WeakPolarHBondContact OH-CE2 3.4Å; Y85-Y198 PolarHBondContact OH-OH 3.44Å; V194-Y198 WeakPolarHBondContact O-CB 3.28Å; V194-Y198 PolarHBondContact O-N 3.05Å; L195-Y198 HydrophobicContact CD1-CD1 4.2Å; L195-Y198 WeakPolarHBondContact O-CB 3.24Å; L196-Y198 VanDerWaalsContact C-N 3.35Å; Y198-V200 VanDerWaalsContact C-N 3.32Å; Y198-V200 PolarHBondContact O-N 3.41Å; Y198-Q201 WeakPolarHBondContact O-CB 3.39Å; Y198-Q201 PolarHBondContact O-N 3.2Å; Y198-S202 PolarHBondContact O-N 3.39Å; Y198-S202 VanDerWaalsContact O-N 3.16Å; Y198-H229 AromaticContact CD2-CE1 4Å; Y198-H229 AromaticContact CE2-CE1 3.37Å; Y198-H229 WeakPolarHBondContact CE2-CE1 2.83Å; Y198-H229 AromaticContact CE2-NE2 3.29Å; Y198-H229 VanDerWaalsContact CE2-NE2 3.29Å; Y198-H229 WeakPolarHBondContact CE2-NE2 2.93Å; Y198-H229 AromaticContact CZ-CE1 4Å; Y198-H229 AromaticContact CZ-NE2 3.6Å; Y198-H229 PolarHBondContact OH-NE2 3.01Å; Y198-V233 HydrophobicContact CD2-CG1 4.01Å; Y198-V233 HydrophobicContact CD2-CG2 3.63Å; Y198-V233 HydrophobicContact CE2-CB 4.39Å; Y198-V233 HydrophobicContact CE2-CG1 3.93Å; Y198-V233 HydrophobicContact CE2-CG2 3.51Å |
| 199 | N | 71.2 | Confident | 70.4 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | -179.4 | -83.6 | -45.7 | 0 | 0 | 0 | 113.3 | R125 T161 L195 L196 V197 S203 | R125-N199 PolarHBondContact NE-OD1 2.8Å; R125-N199 VanDerWaalsContact NE-OD1 3.15Å; R125-N199 PolarHBondContact NH1-OD1 3.11Å; R125-N199 PolarHBondContact NH2-O 3.43Å; R125-N199 PolarHBondContact NH2-OD1 3.32Å; T161-N199 HydrophobicContact CG2-CB 4.35Å; L195-N199 WeakPolarHBondContact O-CB 3.22Å; L195-N199 PolarHBondContact O-N 3.17Å; L195-N199 VanDerWaalsContact O-N 3.08Å; L195-N199 PolarHBondContact O-ND2 3.07Å; L196-N199 WeakPolarHBondContact O-CB 3.25Å; L196-N199 PolarHBondContact O-N 3.24Å; V197-N199 VanDerWaalsContact C-N 3.28Å; V197-N199 PolarHBondContact O-N 3.36Å; N199-S203 PolarHBondContact O-OG 3Å |
| 200 | V | 73 | Confident | 69.9 | Low | 53 Ų | 53 | 42.4 Ų | 42.4 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | T161 L196 V197 Y198 S202 S203 L204 | T161-V200 HydrophobicContact CG2-CG2 3.7Å; L196-V200 HydrophobicContact CD2-CG2 4.5Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 3.13Å; V197-V200 PolarHBondContact O-N 3.22Å; V197-V200 VanDerWaalsContact O-N 3.11Å; Y198-V200 VanDerWaalsContact C-N 3.32Å; Y198-V200 PolarHBondContact O-N 3.41Å; V200-S202 PolarHBondContact O-N 3.31Å; V200-S203 WeakPolarHBondContact O-CB 3.41Å; V200-S203 PolarHBondContact O-N 2.97Å; V200-S203 VanDerWaalsContact O-N 3.14Å; V200-L204 HydrophobicContact CG1-CD1 3.65Å; V200-L204 HydrophobicContact CG1-CG 3.95Å; V200-L204 WeakPolarHBondContact O-CG 3.33Å; V200-L204 PolarHBondContact O-N 3.27Å |
| 201 | Q | 75.2 | Confident | 69.2 | Low | 33 Ų | 33 | 47.6 Ų | 47.6 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | -179.7 | -73.7 | 173.6 | -3.6 | 0 | 0 | 112.7 | V197 Y198 S203 L204 F205 E236 | V197-Q201 HydrophobicContact CG1-CG 4.38Å; V197-Q201 WeakPolarHBondContact O-CG 3.21Å; V197-Q201 PolarHBondContact O-N 3.41Å; Y198-Q201 WeakPolarHBondContact O-CB 3.39Å; Y198-Q201 PolarHBondContact O-N 3.2Å; Q201-S203 PolarHBondContact O-N 3.26Å; Q201-L204 PolarHBondContact O-N 3.21Å; Q201-L204 VanDerWaalsContact O-N 3.13Å; Q201-F205 HydrophobicContact CB-CD2 4.31Å; Q201-F205 HydrophobicContact CB-CE2 4.15Å; Q201-F205 WeakPolarHBondContact O-CD2 3.41Å; Q201-F205 PolarHBondContact O-N 2.7Å; Q201-E236 PolarHBondContact NE2-OE1 3.14Å; Q201-E236 PolarHBondContact OE1-OE1 3.01Å |
| 202 | S | 72.2 | Confident | 68.7 | Low | 36 Ų | 36 | 50.3 Ų | 50.3 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.9 | -40.8 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | Y198 V200 G206 | Y198-S202 PolarHBondContact O-N 3.39Å; Y198-S202 VanDerWaalsContact O-N 3.16Å; V200-S202 PolarHBondContact O-N 3.31Å; S202-G206 PolarHBondContact O-N 3.23Å |
| 203 | S | 70.2 | Confident | 67.6 | Low | 7 Ų | 7 | 54.3 Ų | 54.3 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 178.4 | -47.3 | 0 | 0 | 0 | 0 | 112.3 | S154 V157 N199 V200 Q201 G206 L207 | S154-S203 PolarHBondContact OG-O 3.48Å; V157-S203 WeakPolarHBondContact CG1-OG 3.44Å; N199-S203 PolarHBondContact O-OG 3Å; V200-S203 WeakPolarHBondContact O-CB 3.41Å; V200-S203 PolarHBondContact O-N 2.97Å; V200-S203 VanDerWaalsContact O-N 3.14Å; Q201-S203 PolarHBondContact O-N 3.26Å; S203-G206 PolarHBondContact O-N 3.12Å; S203-L207 PolarHBondContact O-N 3.1Å |
| 204 | L | 73.1 | Confident | 66.8 | Low | 85 Ų | 85 | 52.3 Ų | 52.3 | 45% | 0.445 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 177 | -72.5 | 176.4 | 0 | 0 | 0 | 111.6 | V200 Q201 G206 L207 C208 | V200-L204 HydrophobicContact CG1-CD1 3.65Å; V200-L204 HydrophobicContact CG1-CG 3.95Å; V200-L204 WeakPolarHBondContact O-CG 3.33Å; V200-L204 PolarHBondContact O-N 3.27Å; Q201-L204 PolarHBondContact O-N 3.21Å; Q201-L204 VanDerWaalsContact O-N 3.13Å; L204-G206 PolarHBondContact O-N 3.16Å; L204-L207 PolarHBondContact O-N 2.87Å; L204-L207 VanDerWaalsContact O-N 3.11Å; L204-C208 VanDerWaalsContact O-CB 3.28Å; L204-C208 WeakPolarHBondContact O-CB 3.44Å; L204-C208 PolarHBondContact O-N 3.28Å; L204-C208 PolarHBondContact O-SG 3.27Å |
| 205 | F | 70.4 | Confident | 66 | Low | 52 Ų | 52 | 59.4 Ų | 59.4 | 23% | 0.228 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 177.1 | -74.9 | -63.4 | 0 | 0 | 0 | 112.1 | Q201 S209 A225 H229 I232 | Q201-F205 HydrophobicContact CB-CD2 4.31Å; Q201-F205 HydrophobicContact CB-CE2 4.15Å; Q201-F205 WeakPolarHBondContact O-CD2 3.41Å; Q201-F205 PolarHBondContact O-N 2.7Å; F205-S209 PolarHBondContact O-N 3.22Å; F205-S209 VanDerWaalsContact O-N 3.16Å; F205-A225 HydrophobicContact CB-CB 4.38Å; F205-A225 HydrophobicContact CD1-CB 4.38Å; F205-H229 HydrophobicContact CD2-CB 3.84Å; F205-H229 AromaticContact CD2-ND1 3.66Å; F205-H229 HydrophobicContact CE2-CB 4.17Å; F205-H229 AromaticContact CE2-ND1 3.89Å; F205-H229 HydrophobicContact CG-CB 4.4Å; F205-I232 HydrophobicContact CE2-CD1 4.3Å; F205-I232 HydrophobicContact CZ-CD1 3.8Å |
| 206 | G | 65.7 | Low | 65.3 | Low | 31 Ų | 31 | 61.6 Ų | 61.6 | 32% | 0.32 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -33.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S202 S203 L204 | S202-G206 PolarHBondContact O-N 3.23Å; S203-G206 PolarHBondContact O-N 3.12Å; L204-G206 PolarHBondContact O-N 3.16Å |
| 207 | L | 66.4 | Low | 64.7 | Low | 71 Ų | 71 | 64.6 Ų | 64.6 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -84.4 | -41.4 | 176.6 | -70.3 | 176.1 | 0 | 0 | 0 | 112.4 | S154 I158 S203 L204 S209 | S154-L207 WeakPolarHBondContact OG-CG 3.44Å; I158-L207 HydrophobicContact CD1-CD1 3.47Å; I158-L207 VanDerWaalsContact CD1-CD1 3.47Å; S203-L207 PolarHBondContact O-N 3.1Å; L204-L207 PolarHBondContact O-N 2.87Å; L204-L207 VanDerWaalsContact O-N 3.11Å; L207-S209 VanDerWaalsContact C-N 3.27Å; L207-S209 PolarHBondContact O-N 3.02Å |
| 208 | C | 65.5 | Low | 64.1 | Low | 56 Ų | 56 | 64 Ų | 64 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -76.3 | -10 | -176.3 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | L204 G210 F211 I212 | L204-C208 VanDerWaalsContact O-CB 3.28Å; L204-C208 WeakPolarHBondContact O-CB 3.44Å; L204-C208 PolarHBondContact O-N 3.28Å; L204-C208 PolarHBondContact O-SG 3.27Å; C208-G210 PolarHBondContact O-N 3.45Å; C208-G210 VanDerWaalsContact O-N 3.1Å; C208-F211 PolarHBondContact O-N 3.23Å; C208-I212 PolarHBondContact O-N 3.3Å |
| 209 | S | 61.2 | Low | 63.7 | Low | 11 Ų | 11 | 64.4 Ų | 64.4 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.9 | 176.9 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | F205 L207 F211 D221 | F205-S209 PolarHBondContact O-N 3.22Å; F205-S209 VanDerWaalsContact O-N 3.16Å; L207-S209 VanDerWaalsContact C-N 3.27Å; L207-S209 PolarHBondContact O-N 3.02Å; S209-F211 VanDerWaalsContact C-N 3.34Å; S209-D221 WeakPolarHBondContact O-CB 3.46Å |
| 210 | G | 59.1 | Low | 63.6 | Low | 67 Ų | 67 | 63.8 Ų | 63.8 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C208 | C208-G210 PolarHBondContact O-N 3.45Å; C208-G210 VanDerWaalsContact O-N 3.1Å |
| 211 | F | 57.2 | Low | 63.5 | Low | 179 Ų | 179 | 62.7 Ų | 62.7 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -17.5 | -176.3 | -69.4 | -74.3 | 0 | 0 | 0 | 113.9 | C208 S209 S213 | C208-F211 PolarHBondContact O-N 3.23Å; S209-F211 VanDerWaalsContact C-N 3.34Å; F211-S213 PolarHBondContact O-N 2.97Å; F211-S213 VanDerWaalsContact O-N 3.12Å |
| 212 | I | 58.9 | Low | 63.2 | Low | 77 Ų | 77 | 62.8 Ų | 62.8 | 40% | 0.395 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -70.7 | 110.6 | 178.6 | -84.8 | 155.8 | 0 | 0 | 0 | 108.2 | C208 C214 | C208-I212 PolarHBondContact O-N 3.3Å; I212-C214 PolarHBondContact O-N 3.07Å |
| 213 | S | 49.1 | Very low | 63.3 | Low | 112 Ų | 112 | 61.1 Ų | 61.1 | 78% | 0.783 | 34% | 0.341 | S | S | * | . | trans | -63.3 | 128.3 | 177.2 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | F211 E215 | F211-S213 PolarHBondContact O-N 2.97Å; F211-S213 VanDerWaalsContact O-N 3.12Å; S213-E215 PolarHBondContact O-N 3.34Å | ||
| 214 | C | 55 | Low | 63.7 | Low | 49 Ų | 49 | 63.5 Ų | 63.5 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | trans | -88 | 93 | -170 | -160.6 | 0 | 0 | 0 | 0 | 109.9 | C18 I212 D221 | C18-C214 HydrophobicContact CB-CB 3.83Å; C18-C214 WeakPolarHBondContact CB-SG 3.06Å; C18-C214 WeakPolarHBondContact SG-CB 3.32Å; C18-C214 CovalentContact SG-SG 2.02Å; C18-C214 PolarHBondContact SG-SG 3.06Å; I212-C214 PolarHBondContact O-N 3.07Å; C214-D221 PolarHBondContact SG-OD1 3.29Å | ||
| 215 | E | 53.3 | Low | 63.9 | Low | 178 Ų | 178 | 59.7 Ų | 59.7 | 83% | 0.832 | 33% | 0.331 | S | S | * | . | trans | -80.9 | -28.8 | 177.4 | -162.4 | 100.9 | -155.2 | 0 | 0 | 111.8 | S213 | S213-E215 PolarHBondContact O-N 3.34Š| ||
| 216 | E | 56.3 | Low | 64.4 | Low | 86 Ų | 86 | 58.2 Ų | 58.2 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | trans | -124.1 | 112.8 | -171 | -69.1 | 157.7 | 173.8 | 0 | 0 | 111 | L218 K224 | E216-L218 PolarHBondContact O-N 3.42Å; E216-K224 IonicContact OE2-NZ 3.48Å; E216-K224 PolarHBondContact OE2-NZ 3.43Å | ||
| 217 | Q | 57.8 | Low | 65.2 | Low | 94 Ų | 94 | 57.1 Ų | 57.1 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 18.3 | -172.6 | -81.5 | 167 | -42.4 | 0 | 0 | 115.4 | S14 L21 | S14-Q217 VanDerWaalsContact C-NE2 3.28Å; S14-Q217 PolarHBondContact O-NE2 3.49Å; L21-Q217 WeakPolarHBondContact CD2-O 3.35Å |
| 218 | L | 62.1 | Low | 66.1 | Low | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -38.4 | -176.7 | -174.7 | 56.2 | 0 | 0 | 0 | 113.6 | E32 E216 | E32-L218 HydrophobicContact CB-CD1 3.61Å; E32-L218 HydrophobicContact CB-CD2 3.64Å; E32-L218 HydrophobicContact CB-CG 4.23Å; E32-L218 HydrophobicContact CG-CD1 3.27Å; E32-L218 HydrophobicContact CG-CD2 3.68Å; E32-L218 HydrophobicContact CG-CG 3.98Å; E32-L218 WeakPolarHBondContact O-CD2 3.47Å; E216-L218 PolarHBondContact O-N 3.42Å |
| 219 | L | 65.5 | Low | 67 | Low | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -125 | 133.4 | -171.6 | -135.8 | 70.5 | 0 | 0 | 0 | 108.9 | P24 Y29 A223 | P24-L219 HydrophobicContact CG-CD1 3.96Å; Y29-L219 HydrophobicContact CD2-CD1 3.94Å; Y29-L219 HydrophobicContact CE2-CD1 3.9Å; Y29-L219 HydrophobicContact CE2-CD2 4.49Å; L219-A223 HydrophobicContact CD2-CB 3.71Å; L219-A223 HydrophobicContact CG-CB 3.66Å |
| 220 | P | 67.8 | Low | 68.3 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -61.3 | 152.2 | 174.5 | 25 | -33.9 | 0 | 0 | 0 | 110.9 | C18 L21 T23 Y222 A223 K224 | C18-P220 WeakPolarHBondContact O-CA 3.3Å; C18-P220 WeakPolarHBondContact O-CB 3.38Å; L21-P220 HydrophobicContact CB-CB 4.14Å; L21-P220 WeakPolarHBondContact O-CB 3.38Å; L21-P220 WeakPolarHBondContact O-CG 3.45Å; T23-P220 HydrophobicContact CG2-CG 3.96Å; P220-Y222 HydrophobicContact CB-CD1 3.54Å; P220-Y222 HydrophobicContact CB-CE1 3.28Å; P220-Y222 HydrophobicContact CG-CD1 3.77Å; P220-Y222 HydrophobicContact CG-CE1 3.14Å; P220-Y222 HydrophobicContact CG-CE2 4.17Å; P220-Y222 HydrophobicContact CG-CG 4.49Å; P220-Y222 PolarHBondContact O-N 2.92Å; P220-A223 HydrophobicContact CG-CB 3.83Å; P220-A223 PolarHBondContact O-N 3.37Å; P220-K224 PolarHBondContact O-N 2.97Å; P220-K224 VanDerWaalsContact O-N 3.1Å | ||
| 221 | D | 70.4 | Confident | 69.8 | Low | 29 Ų | 29 | 54.3 Ų | 54.3 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.2 | -36.1 | -173.1 | -58.5 | -37.2 | 0 | 0 | 0 | 112.6 | S209 C214 A225 | S209-D221 WeakPolarHBondContact O-CB 3.46Å; C214-D221 PolarHBondContact SG-OD1 3.29Å; D221-A225 WeakPolarHBondContact O-CB 3.37Å; D221-A225 PolarHBondContact O-N 3.04Å |
| 222 | Y | 70.5 | Confident | 71.3 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 14% | 0.137 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.9 | 73.8 | -97.2 | 0 | 0 | 0 | 113 | T23 F143 P220 S226 | T23-Y222 WeakPolarHBondContact CB-OH 3.31Å; T23-Y222 HydrophobicContact CG2-CE2 3.77Å; T23-Y222 WeakPolarHBondContact CG2-OH 3.28Å; T23-Y222 PolarHBondContact OG1-OH 3.35Å; F143-Y222 HydrophobicContact CB-CD1 4.46Å; F143-Y222 HydrophobicContact CB-CE1 4.08Å; F143-Y222 HydrophobicContact CD2-CD2 4.47Å; F143-Y222 AromaticContact CD2-CE1 3.8Å; F143-Y222 HydrophobicContact CD2-CE1 3.8Å; F143-Y222 AromaticContact CD2-CE2 3.74Å; F143-Y222 HydrophobicContact CD2-CE2 3.74Å; F143-Y222 AromaticContact CD2-CZ 3.35Å; F143-Y222 WeakPolarHBondContact CD2-OH 3.36Å; F143-Y222 HydrophobicContact CE2-CD2 4.43Å; F143-Y222 AromaticContact CE2-CE2 3.66Å; F143-Y222 HydrophobicContact CE2-CE2 3.66Å; F143-Y222 AromaticContact CE2-CZ 3.74Å; F143-Y222 HydrophobicContact CG-CE1 4.25Å; F143-Y222 HydrophobicContact CZ-CE2 4.47Å; P220-Y222 HydrophobicContact CB-CD1 3.54Å; P220-Y222 HydrophobicContact CB-CE1 3.28Å; P220-Y222 HydrophobicContact CG-CD1 3.77Å; P220-Y222 HydrophobicContact CG-CE1 3.14Å; P220-Y222 HydrophobicContact CG-CE2 4.17Å; P220-Y222 HydrophobicContact CG-CG 4.49Å; P220-Y222 PolarHBondContact O-N 2.92Å; Y222-S226 WeakPolarHBondContact O-CB 3.29Å; Y222-S226 PolarHBondContact O-N 3.42Å |
| 223 | A | 73.5 | Confident | 72.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.4 | -35.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T23 L219 P220 S226 L227 | T23-A223 HydrophobicContact CG2-CB 3.71Å; L219-A223 HydrophobicContact CD2-CB 3.71Å; L219-A223 HydrophobicContact CG-CB 3.66Å; P220-A223 HydrophobicContact CG-CB 3.83Å; P220-A223 PolarHBondContact O-N 3.37Å; A223-S226 PolarHBondContact O-N 3.34Å; A223-L227 WeakPolarHBondContact O-CB 3.45Å; A223-L227 PolarHBondContact O-N 3.28Å |
| 224 | K | 77.9 | Confident | 74.6 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 171.3 | -171.8 | 164.6 | -177.2 | 161.6 | 0 | 110.6 | E216 P220 S226 L227 W228 | E216-K224 IonicContact OE2-NZ 3.48Å; E216-K224 PolarHBondContact OE2-NZ 3.43Å; P220-K224 PolarHBondContact O-N 2.97Å; P220-K224 VanDerWaalsContact O-N 3.1Å; K224-S226 VanDerWaalsContact C-N 3.3Å; K224-S226 PolarHBondContact O-N 3.39Å; K224-L227 WeakPolarHBondContact O-CB 3.26Å; K224-L227 PolarHBondContact O-N 3.43Å; K224-W228 PolarHBondContact O-N 2.84Å; K224-W228 VanDerWaalsContact O-N 3.08Å |
| 225 | A | 78.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F205 D221 W228 H229 | F205-A225 HydrophobicContact CB-CB 4.38Å; F205-A225 HydrophobicContact CD1-CB 4.38Å; D221-A225 WeakPolarHBondContact O-CB 3.37Å; D221-A225 PolarHBondContact O-N 3.04Å; A225-W228 PolarHBondContact O-N 2.82Å; A225-H229 WeakPolarHBondContact O-CB 3.31Å; A225-H229 PolarHBondContact O-N 2.88Å |
| 226 | S | 79.5 | Confident | 78 | Confident | 22 Ų | 22 | 34.7 Ų | 34.7 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 177.4 | -171 | 0 | 0 | 0 | 0 | 113 | M99 Y222 A223 K224 H229 H230 | M99-S226 VanDerWaalsContact SD-CB 3.57Å; M99-S226 PolarHBondContact SD-OG 3.46Å; M99-S226 VanDerWaalsContact SD-OG 3.36Å; Y222-S226 WeakPolarHBondContact O-CB 3.29Å; Y222-S226 PolarHBondContact O-N 3.42Å; A223-S226 PolarHBondContact O-N 3.34Å; K224-S226 VanDerWaalsContact C-N 3.3Å; K224-S226 PolarHBondContact O-N 3.39Å; S226-H229 WeakPolarHBondContact O-CB 3.48Å; S226-H229 PolarHBondContact O-N 3.08Å; S226-H230 PolarHBondContact O-N 3.37Å; S226-H230 PolarHBondContact O-ND1 3.07Å; S226-H230 PolarHBondContact OG-ND1 3.48Å |
| 227 | L | 83.8 | Confident | 79.5 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -51.3 | 171.7 | -176.1 | 90 | 0 | 0 | 0 | 110.9 | T37 I41 M93 M99 A223 K224 H229 H230 L231 | T37-L227 HydrophobicContact CG2-CD2 3.63Å; I41-L227 HydrophobicContact CD1-CD1 4.34Å; M93-L227 HydrophobicContact CB-CD1 4.44Å; M93-L227 HydrophobicContact CG-CD1 4.49Å; M99-L227 HydrophobicContact CE-CB 3.91Å; M99-L227 HydrophobicContact CE-CD1 3.78Å; M99-L227 HydrophobicContact CE-CG 4.45Å; A223-L227 WeakPolarHBondContact O-CB 3.45Å; A223-L227 PolarHBondContact O-N 3.28Å; K224-L227 WeakPolarHBondContact O-CB 3.26Å; K224-L227 PolarHBondContact O-N 3.43Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 2.96Å; L227-H230 PolarHBondContact O-N 3.07Å; L227-L231 HydrophobicContact CD2-CD1 4.42Å; L227-L231 HydrophobicContact CG-CD1 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.09Å; L227-L231 PolarHBondContact O-N 3.17Å |
| 228 | W | 84.9 | Confident | 81 | Confident | 123 Ų | 123 | 29.7 Ų | 29.7 | 47% | 0.466 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.5 | -39.8 | 176.9 | -80.4 | 105.2 | 0 | 0 | 0 | 112.4 | L40 K224 A225 L231 I232 | L40-W228 HydrophobicContact CD1-CH2 4.43Å; K224-W228 PolarHBondContact O-N 2.84Å; K224-W228 VanDerWaalsContact O-N 3.08Å; A225-W228 PolarHBondContact O-N 2.82Å; W228-L231 HydrophobicContact CE3-CD1 4.45Å; W228-L231 PolarHBondContact O-N 3.08Å; W228-I232 WeakPolarHBondContact O-CG1 3.41Å; W228-I232 PolarHBondContact O-N 3.26Å |
| 229 | H | 85.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.3 | -54.5 | 174.6 | -178.1 | 55.8 | 0 | 0 | 0 | 110.8 | Y198 F205 A225 S226 L227 L231 I232 V233 | Y198-H229 AromaticContact CD2-CE1 4Å; Y198-H229 AromaticContact CE2-CE1 3.37Å; Y198-H229 WeakPolarHBondContact CE2-CE1 2.83Å; Y198-H229 AromaticContact CE2-NE2 3.29Å; Y198-H229 VanDerWaalsContact CE2-NE2 3.29Å; Y198-H229 WeakPolarHBondContact CE2-NE2 2.93Å; Y198-H229 AromaticContact CZ-CE1 4Å; Y198-H229 AromaticContact CZ-NE2 3.6Å; Y198-H229 PolarHBondContact OH-NE2 3.01Å; F205-H229 HydrophobicContact CD2-CB 3.84Å; F205-H229 AromaticContact CD2-ND1 3.66Å; F205-H229 HydrophobicContact CE2-CB 4.17Å; F205-H229 AromaticContact CE2-ND1 3.89Å; F205-H229 HydrophobicContact CG-CB 4.4Å; A225-H229 WeakPolarHBondContact O-CB 3.31Å; A225-H229 PolarHBondContact O-N 2.88Å; S226-H229 WeakPolarHBondContact O-CB 3.48Å; S226-H229 PolarHBondContact O-N 3.08Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 2.96Å; H229-L231 PolarHBondContact O-N 3.15Å; H229-I232 PolarHBondContact O-N 3.42Å; H229-V233 WeakPolarHBondContact O-CB 3.29Å; H229-V233 WeakPolarHBondContact O-CG2 3.46Å; H229-V233 PolarHBondContact O-N 3.06Å |
| 230 | H | 88.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.8 | -36.7 | 179.4 | -74.1 | 89.4 | 0 | 0 | 0 | 112.2 | M93 S102 D103 S226 L227 V233 V234 | M93-H230 HydrophobicContact CE-CB 3.58Å; M93-H230 WeakPolarHBondContact CE-O 3.08Å; M93-H230 HydrophobicContact CG-CB 3.89Å; S102-H230 PolarHBondContact OG-NE2 3.39Å; S102-H230 VanDerWaalsContact OG-NE2 3.08Å; D103-H230 IonicContact OD1-CE1 3.33Å; D103-H230 PolarHBondContact OD1-CE1 3.46Å; D103-H230 IonicContact OD1-NE2 2.84Å; D103-H230 PolarHBondContact OD1-NE2 3.37Å; S226-H230 PolarHBondContact O-N 3.37Å; S226-H230 PolarHBondContact O-ND1 3.07Å; S226-H230 PolarHBondContact OG-ND1 3.48Å; L227-H230 PolarHBondContact O-N 3.07Å; H230-V233 PolarHBondContact O-N 3.09Å; H230-V234 WeakPolarHBondContact O-CG2 3.43Å; H230-V234 PolarHBondContact O-N 3.28Å; H230-V234 VanDerWaalsContact O-N 3.09Å |
| 231 | L | 90.1 | Very high | 84 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 9% | 0.089 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -50.7 | 179.5 | -74.8 | 171.5 | 0 | 0 | 0 | 111.4 | L40 S44 M93 L227 W228 H229 V233 V234 L235 | L40-L231 HydrophobicContact CB-CD1 4.16Å; L40-L231 HydrophobicContact CB-CD2 4.07Å; L40-L231 HydrophobicContact CD1-CD1 4.13Å; S44-L231 WeakPolarHBondContact OG-CD2 3.25Å; M93-L231 VanDerWaalsContact CE-CA 3.43Å; M93-L231 HydrophobicContact CE-CB 4.29Å; M93-L231 HydrophobicContact CE-CD2 3.75Å; M93-L231 HydrophobicContact CE-CG 4Å; M93-L231 VanDerWaalsContact CE-N 3.25Å; M93-L231 HydrophobicContact SD-CD2 3.86Å; M93-L231 HydrophobicContact SD-CG 4.46Å; L227-L231 HydrophobicContact CD2-CD1 4.42Å; L227-L231 HydrophobicContact CG-CD1 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.09Å; L227-L231 PolarHBondContact O-N 3.17Å; W228-L231 HydrophobicContact CE3-CD1 4.45Å; W228-L231 PolarHBondContact O-N 3.08Å; H229-L231 PolarHBondContact O-N 3.15Å; L231-V233 PolarHBondContact O-N 2.7Å; L231-V234 PolarHBondContact O-N 3.5Å; L231-L235 PolarHBondContact O-N 3.06Å |
| 232 | I | 88.8 | Confident | 84.8 | Confident | 56 Ų | 56 | 30.6 Ų | 30.6 | 29% | 0.287 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.9 | -38.9 | 177.4 | -69.8 | 166.1 | 0 | 0 | 0 | 110.2 | F205 W228 H229 L235 E236 | F205-I232 HydrophobicContact CE2-CD1 4.3Å; F205-I232 HydrophobicContact CZ-CD1 3.8Å; W228-I232 WeakPolarHBondContact O-CG1 3.41Å; W228-I232 PolarHBondContact O-N 3.26Å; H229-I232 PolarHBondContact O-N 3.42Å; I232-L235 WeakPolarHBondContact O-CB 3.42Å; I232-L235 PolarHBondContact O-N 3.3Å; I232-E236 HydrophobicContact CG2-CG 4.25Å; I232-E236 WeakPolarHBondContact O-CG 3.36Å; I232-E236 PolarHBondContact O-N 3.23Å |
| 233 | V | 87.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.8 | -35.8 | -174.8 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | Y85 Y198 H229 H230 L231 L235 E236 C237 | Y85-V233 HydrophobicContact CD1-CG1 3.44Å; Y85-V233 VanDerWaalsContact CD1-CG1 3.44Å; Y85-V233 HydrophobicContact CE1-CB 4.25Å; Y85-V233 HydrophobicContact CE1-CG1 3.02Å; Y85-V233 HydrophobicContact CE2-CG1 4.44Å; Y85-V233 HydrophobicContact CG-CG1 4.45Å; Y198-V233 HydrophobicContact CD2-CG1 4.01Å; Y198-V233 HydrophobicContact CD2-CG2 3.63Å; Y198-V233 HydrophobicContact CE2-CB 4.39Å; Y198-V233 HydrophobicContact CE2-CG1 3.93Å; Y198-V233 HydrophobicContact CE2-CG2 3.51Å; H229-V233 WeakPolarHBondContact O-CB 3.29Å; H229-V233 WeakPolarHBondContact O-CG2 3.46Å; H229-V233 PolarHBondContact O-N 3.06Å; H230-V233 PolarHBondContact O-N 3.09Å; L231-V233 PolarHBondContact O-N 2.7Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-E236 PolarHBondContact O-N 3.27Å; V233-C237 WeakPolarHBondContact O-CB 3.41Å; V233-C237 PolarHBondContact O-N 3.45Å; V233-C237 PolarHBondContact O-SG 3.41Å |
| 234 | V | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 171.6 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | E47 I51 M93 H230 L231 C237 F238 | E47-V234 HydrophobicContact CB-CG1 3.92Å; I51-V234 HydrophobicContact CD1-CG1 4.4Å; M93-V234 HydrophobicContact CE-CG2 3.74Å; H230-V234 WeakPolarHBondContact O-CG2 3.43Å; H230-V234 PolarHBondContact O-N 3.28Å; H230-V234 VanDerWaalsContact O-N 3.09Å; L231-V234 PolarHBondContact O-N 3.5Å; V234-C237 WeakPolarHBondContact O-CB 3.35Å; V234-C237 PolarHBondContact O-N 3.38Å; V234-F238 PolarHBondContact O-N 2.96Å |
| 235 | L | 90.5 | Very high | 86.1 | Confident | 88 Ų | 88 | 31.8 Ų | 31.8 | 46% | 0.461 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.7 | -176.7 | 150.9 | 0 | 0 | 0 | 111.8 | L231 I232 V233 C237 F238 V239 | L231-L235 PolarHBondContact O-N 3.06Å; I232-L235 WeakPolarHBondContact O-CB 3.42Å; I232-L235 PolarHBondContact O-N 3.3Å; V233-L235 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 3.47Å; L235-F238 WeakPolarHBondContact O-CB 3.27Å; L235-F238 PolarHBondContact O-N 3.44Å; L235-V239 HydrophobicContact CD2-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CG2 3.43Å; L235-V239 PolarHBondContact O-N 3.28Å |
| 236 | E | 88.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.9 | -75.2 | -176.8 | 167.6 | 0 | 0 | 111.4 | Q201 I232 V233 F238 V239 M240 | Q201-E236 PolarHBondContact NE2-OE1 3.14Å; Q201-E236 PolarHBondContact OE1-OE1 3.01Å; I232-E236 HydrophobicContact CG2-CG 4.25Å; I232-E236 WeakPolarHBondContact O-CG 3.36Å; I232-E236 PolarHBondContact O-N 3.23Å; V233-E236 PolarHBondContact O-N 3.27Å; E236-F238 VanDerWaalsContact C-N 3.27Å; E236-F238 PolarHBondContact O-N 2.87Å; E236-V239 PolarHBondContact O-N 3.43Å; E236-M240 VanDerWaalsContact O-CB 3.29Å; E236-M240 WeakPolarHBondContact O-CB 2.95Å; E236-M240 WeakPolarHBondContact O-CG 3.27Å; E236-M240 PolarHBondContact O-N 2.8Å |
| 237 | C | 88.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 176.5 | -72.4 | 0 | 0 | 0 | 0 | 112 | I51 F82 V233 V234 L235 L241 | I51-C237 HydrophobicContact CD1-CB 3.94Å; F82-C237 HydrophobicContact CB-CB 4.47Å; F82-C237 HydrophobicContact CD1-CB 4.48Å; V233-C237 WeakPolarHBondContact O-CB 3.41Å; V233-C237 PolarHBondContact O-N 3.45Å; V233-C237 PolarHBondContact O-SG 3.41Å; V234-C237 WeakPolarHBondContact O-CB 3.35Å; V234-C237 PolarHBondContact O-N 3.38Å; L235-C237 PolarHBondContact O-N 3.47Å; C237-L241 WeakPolarHBondContact O-CB 3.36Å; C237-L241 PolarHBondContact O-N 2.89Å |
| 238 | F | 90.1 | Very high | 85.6 | Confident | 65 Ų | 65 | 45.1 Ų | 45.1 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -52 | 175.9 | 175.1 | -107 | 0 | 0 | 0 | 111.7 | I50 I51 L54 V234 L235 E236 M240 L241 A242 | I50-F238 HydrophobicContact CG2-CD2 4.17Å; I50-F238 HydrophobicContact CG2-CE2 3.62Å; I51-F238 HydrophobicContact CD1-CB 3.98Å; I51-F238 HydrophobicContact CG1-CB 4.04Å; I51-F238 HydrophobicContact CG1-CD2 4.18Å; L54-F238 HydrophobicContact CD1-CD2 4.35Å; L54-F238 HydrophobicContact CD1-CE2 4.05Å; V234-F238 PolarHBondContact O-N 2.96Å; L235-F238 WeakPolarHBondContact O-CB 3.27Å; L235-F238 PolarHBondContact O-N 3.44Å; E236-F238 VanDerWaalsContact C-N 3.27Å; E236-F238 PolarHBondContact O-N 2.87Å; F238-M240 VanDerWaalsContact C-N 3.3Å; F238-M240 PolarHBondContact O-N 3.33Å; F238-L241 PolarHBondContact O-N 3.25Å; F238-A242 WeakPolarHBondContact O-CB 3.46Å; F238-A242 PolarHBondContact O-N 2.86Å |
| 239 | V | 88.2 | Confident | 85.4 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 40% | 0.4 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 178.8 | 173.8 | 0 | 0 | 0 | 0 | 111 | L235 E236 A242 L243 | L235-V239 HydrophobicContact CD2-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CG2 3.43Å; L235-V239 PolarHBondContact O-N 3.28Å; E236-V239 PolarHBondContact O-N 3.43Å; V239-A242 PolarHBondContact O-N 3.26Å; V239-L243 HydrophobicContact CG1-CD1 3.79Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 WeakPolarHBondContact O-CB 3.19Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.32Å; V239-L243 PolarHBondContact O-N 3.2Å |
| 240 | M | 83.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | 179.8 | -71.8 | -52.9 | -70.3 | 0 | 0 | 112.8 | F82 F190 M191 V194 E236 F238 A242 L243 A244 | F82-M240 HydrophobicContact CD1-CB 4.16Å; F82-M240 HydrophobicContact CE1-CB 3.78Å; F190-M240 HydrophobicContact CD1-CE 3.36Å; F190-M240 HydrophobicContact CD1-SD 3.92Å; F190-M240 HydrophobicContact CE1-CE 3.44Å; F190-M240 VanDerWaalsContact CE1-CE 3.44Å; F190-M240 HydrophobicContact CE1-SD 3.31Å; F190-M240 WeakPolarHBondContact CE1-SD 3.32Å; F190-M240 HydrophobicContact CG-CE 4.38Å; F190-M240 HydrophobicContact CZ-SD 4.07Å; M191-M240 HydrophobicContact CE-CE 4.3Å; M191-M240 HydrophobicContact CG-CE 4.38Å; M191-M240 HydrophobicContact SD-CE 3.23Å; M191-M240 WeakPolarHBondContact SD-CE 3.2Å; V194-M240 HydrophobicContact CB-CE 3.6Å; V194-M240 HydrophobicContact CB-CG 4.26Å; V194-M240 HydrophobicContact CB-SD 3.69Å; V194-M240 HydrophobicContact CG1-CE 4.08Å; V194-M240 HydrophobicContact CG1-CG 3.67Å; V194-M240 HydrophobicContact CG1-SD 3.68Å; V194-M240 HydrophobicContact CG2-CE 3.58Å; V194-M240 HydrophobicContact CG2-CG 4.47Å; V194-M240 HydrophobicContact CG2-SD 3.35Å; V194-M240 WeakPolarHBondContact CG2-SD 3.24Å; E236-M240 VanDerWaalsContact O-CB 3.29Å; E236-M240 WeakPolarHBondContact O-CB 2.95Å; E236-M240 WeakPolarHBondContact O-CG 3.27Å; E236-M240 PolarHBondContact O-N 2.8Å; F238-M240 VanDerWaalsContact C-N 3.3Å; F238-M240 PolarHBondContact O-N 3.33Å; M240-A242 VanDerWaalsContact C-N 3.32Å; M240-L243 PolarHBondContact O-N 3.36Å; M240-A244 WeakPolarHBondContact O-CB 3.31Å; M240-A244 PolarHBondContact O-N 3.1Å |
| 241 | L | 86.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.1 | -173.9 | 57.9 | 0 | 0 | 0 | 110.8 | I51 L54 F82 C237 F238 A244 M245 | I51-L241 HydrophobicContact CB-CD2 4.41Å; I51-L241 HydrophobicContact CG2-CD2 3.81Å; I51-L241 WeakPolarHBondContact O-CD2 3.46Å; L54-L241 HydrophobicContact CB-CD2 3.54Å; L54-L241 HydrophobicContact CB-CG 4.12Å; L54-L241 HydrophobicContact CD1-CD2 4.34Å; F82-L241 HydrophobicContact CD2-CB 4.48Å; F82-L241 HydrophobicContact CD2-CD1 4Å; F82-L241 HydrophobicContact CG-CB 4.38Å; C237-L241 WeakPolarHBondContact O-CB 3.36Å; C237-L241 PolarHBondContact O-N 2.89Å; F238-L241 PolarHBondContact O-N 3.25Å; L241-A244 PolarHBondContact O-N 3.49Å; L241-M245 HydrophobicContact CG-CE 4.47Å; L241-M245 VanDerWaalsContact O-CG 3.32Å; L241-M245 WeakPolarHBondContact O-CG 3.03Å; L241-M245 PolarHBondContact O-N 3.39Å |
| 242 | A | 86.9 | Confident | 82.6 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F238 V239 M240 M245 W246 | F238-A242 WeakPolarHBondContact O-CB 3.46Å; F238-A242 PolarHBondContact O-N 2.86Å; V239-A242 PolarHBondContact O-N 3.26Å; M240-A242 VanDerWaalsContact C-N 3.32Å; A242-M245 PolarHBondContact O-N 3.02Å; A242-W246 PolarHBondContact O-N 3.33Å |
| 243 | L | 84.3 | Confident | 81.7 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65 | -40.5 | 176.5 | -70.4 | 174.4 | 0 | 0 | 0 | 111.6 | F190 V239 M240 M245 W246 F247 | F190-L243 HydrophobicContact CE1-CB 4.18Å; F190-L243 HydrophobicContact CE1-CD1 3.39Å; F190-L243 HydrophobicContact CE1-CG 4.41Å; F190-L243 HydrophobicContact CZ-CD1 3.51Å; V239-L243 HydrophobicContact CG1-CD1 3.79Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 WeakPolarHBondContact O-CB 3.19Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.32Å; V239-L243 PolarHBondContact O-N 3.2Å; M240-L243 PolarHBondContact O-N 3.36Å; L243-M245 VanDerWaalsContact C-N 3.35Å; L243-M245 PolarHBondContact O-N 3.45Å; L243-W246 PolarHBondContact O-N 2.9Å; L243-F247 HydrophobicContact CB-CD2 4.37Å; L243-F247 HydrophobicContact CB-CE2 4.46Å; L243-F247 HydrophobicContact CD2-CE2 4.33Å; L243-F247 WeakPolarHBondContact O-CD2 3.25Å; L243-F247 PolarHBondContact O-N 2.77Å |
| 244 | A | 81.2 | Confident | 80.8 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M191 M240 L241 W246 F247 C248 | M191-A244 HydrophobicContact CE-CB 3.44Å; M191-A244 VanDerWaalsContact CE-CB 3.44Å; M240-A244 WeakPolarHBondContact O-CB 3.31Å; M240-A244 PolarHBondContact O-N 3.1Å; L241-A244 PolarHBondContact O-N 3.49Å; A244-W246 VanDerWaalsContact C-N 3.34Å; A244-W246 PolarHBondContact O-N 3.15Å; A244-F247 PolarHBondContact O-N 3.3Å; A244-C248 WeakPolarHBondContact O-CA 3.17Å; A244-C248 WeakPolarHBondContact O-CB 3.18Å; A244-C248 PolarHBondContact O-N 3.2Å; A244-C248 PolarHBondContact O-SG 3.03Å; A244-C248 VanDerWaalsContact O-SG 3.36Å |
| 245 | M | 83 | Confident | 79.7 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.5 | -71.3 | -175.8 | -60.9 | 0 | 0 | 112.2 | L54 C58 L241 A242 L243 C248 R249 | L54-M245 HydrophobicContact CB-CE 4.06Å; L54-M245 HydrophobicContact CB-SD 4.1Å; L54-M245 HydrophobicContact CD1-CE 3.58Å; L54-M245 HydrophobicContact CD2-CE 3.56Å; L54-M245 HydrophobicContact CD2-SD 3.89Å; L54-M245 HydrophobicContact CG-CE 3.9Å; L54-M245 HydrophobicContact CG-SD 4.41Å; C58-M245 WeakPolarHBondContact SG-CG 3.36Å; L241-M245 HydrophobicContact CG-CE 4.47Å; L241-M245 VanDerWaalsContact O-CG 3.32Å; L241-M245 WeakPolarHBondContact O-CG 3.03Å; L241-M245 PolarHBondContact O-N 3.39Å; A242-M245 PolarHBondContact O-N 3.02Å; L243-M245 VanDerWaalsContact C-N 3.35Å; L243-M245 PolarHBondContact O-N 3.45Å; M245-C248 CarbonylContact O-C 3.57Å; M245-R249 PolarHBondContact O-N 2.02Å |
| 246 | W | 82.3 | Confident | 78.7 | Confident | 202 Ų | 202 | 52.8 Ų | 52.8 | 77% | 0.765 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.3 | -51.4 | 177.1 | -172.5 | -56.9 | 0 | 0 | 0 | 111.2 | A242 L243 A244 R249 | A242-W246 PolarHBondContact O-N 3.33Å; L243-W246 PolarHBondContact O-N 2.9Å; A244-W246 VanDerWaalsContact C-N 3.34Å; A244-W246 PolarHBondContact O-N 3.15Å; W246-R249 WeakPolarHBondContact O-CB 3.3Å; W246-R249 PolarHBondContact O-N 3.1Å |
| 247 | F | 76.6 | Confident | 77.8 | Confident | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.9 | -33.1 | -178.2 | -75.6 | -67.1 | 0 | 0 | 0 | 112.8 | V187 L243 A244 R249 | V187-F247 HydrophobicContact CG2-CB 3.46Å; V187-F247 VanDerWaalsContact CG2-CB 3.46Å; V187-F247 HydrophobicContact CG2-CG 4.29Å; L243-F247 HydrophobicContact CB-CD2 4.37Å; L243-F247 HydrophobicContact CB-CE2 4.46Å; L243-F247 HydrophobicContact CD2-CE2 4.33Å; L243-F247 WeakPolarHBondContact O-CD2 3.25Å; L243-F247 PolarHBondContact O-N 2.77Å; A244-F247 PolarHBondContact O-N 3.3Å; F247-R249 PolarHBondContact O-N 2.97Å |
| 248 | C | 73.6 | Confident | 76.9 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 12% | 0.122 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 23.9 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | A244 M245 P250 F256 | A244-C248 WeakPolarHBondContact O-CA 3.17Å; A244-C248 WeakPolarHBondContact O-CB 3.18Å; A244-C248 PolarHBondContact O-N 3.2Å; A244-C248 PolarHBondContact O-SG 3.03Å; A244-C248 VanDerWaalsContact O-SG 3.36Å; M245-C248 CarbonylContact O-C 3.57Å; C248-P250 WeakPolarHBondContact O-CD 3.48Å; C248-F256 HydrophobicContact CB-CE2 4.35Å; C248-F256 HydrophobicContact CB-CZ 4.42Å; C248-F256 WeakPolarHBondContact O-CE2 3.24Å; C248-F256 WeakPolarHBondContact O-CZ 3.33Å |
| 249 | R | 78.7 | Confident | 75.6 | Confident | 148 Ų | 148 | 59 Ų | 59 | 56% | 0.558 | 28% | 0.28 | S | S | * | . | trans | -59.6 | 128.4 | 175.4 | -171.4 | 178.6 | 168.8 | 179.7 | -3.4 | 110.2 | M245 W246 F247 T251 V252 N253 | M245-R249 PolarHBondContact O-N 2.02Å; W246-R249 WeakPolarHBondContact O-CB 3.3Å; W246-R249 PolarHBondContact O-N 3.1Å; F247-R249 PolarHBondContact O-N 2.97Å; R249-T251 VanDerWaalsContact CD-OG1 3.3Å; R249-T251 WeakPolarHBondContact CD-OG1 3.46Å; R249-T251 WeakPolarHBondContact CG-OG1 2.96Å; R249-T251 PolarHBondContact NE-OG1 3.29Å; R249-T251 VanDerWaalsContact NE-OG1 3.09Å; R249-T251 PolarHBondContact O-N 3.34Å; R249-T251 VanDerWaalsContact O-N 3.07Å; R249-V252 PolarHBondContact O-N 3.48Å; R249-V252 VanDerWaalsContact O-N 3.08Å; R249-N253 PolarHBondContact O-N 3.02Å | ||
| 250 | P | 67.7 | Low | 74.3 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.9 | -176.4 | -28.3 | 34.6 | 0 | 0 | 0 | 115.3 | F61 Y65 C248 V252 F256 Y259 | F61-P250 HydrophobicContact CD1-CG 4.1Å; Y65-P250 HydrophobicContact CD2-CG 4.32Å; C248-P250 WeakPolarHBondContact O-CD 3.48Å; P250-V252 VanDerWaalsContact C-N 3.26Å; P250-V252 PolarHBondContact O-N 2.9Å; P250-F256 HydrophobicContact CB-CB 4.22Å; P250-F256 HydrophobicContact CB-CD2 4.19Å; P250-F256 HydrophobicContact CB-CG 4.08Å; P250-F256 HydrophobicContact CG-CD2 4.45Å; P250-F256 HydrophobicContact CG-CG 4.42Å; P250-Y259 HydrophobicContact CB-CD1 4.27Å; P250-Y259 HydrophobicContact CB-CD2 3.4Å; P250-Y259 VanDerWaalsContact CB-CD2 3.4Å; P250-Y259 HydrophobicContact CB-CE2 3.89Å; P250-Y259 HydrophobicContact CB-CG 3.65Å; P250-Y259 HydrophobicContact CG-CD2 4.48Å; P250-Y259 WeakPolarHBondContact O-CD1 3.39Å |
| 251 | T | 68.6 | Low | 73 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.9 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 114 | R249 Y259 | R249-T251 VanDerWaalsContact CD-OG1 3.3Å; R249-T251 WeakPolarHBondContact CD-OG1 3.46Å; R249-T251 WeakPolarHBondContact CG-OG1 2.96Å; R249-T251 PolarHBondContact NE-OG1 3.29Å; R249-T251 VanDerWaalsContact NE-OG1 3.09Å; R249-T251 PolarHBondContact O-N 3.34Å; R249-T251 VanDerWaalsContact O-N 3.07Å; T251-Y259 HydrophobicContact CG2-CE1 3.6Å; T251-Y259 VanDerWaalsContact CG2-CZ 3.49Å; T251-Y259 WeakPolarHBondContact CG2-OH 3.3Å |
| 252 | V | 69.4 | Low | 71.6 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -20.6 | -169.6 | -175 | 0 | 0 | 0 | 0 | 112 | R249 P250 | R249-V252 PolarHBondContact O-N 3.48Å; R249-V252 VanDerWaalsContact O-N 3.08Å; P250-V252 VanDerWaalsContact C-N 3.26Å; P250-V252 PolarHBondContact O-N 2.9Å |
| 253 | N | 69.7 | Low | 69.9 | Low | 7 Ų | 7 | 77.4 Ų | 77.4 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | trans | -110.8 | 117.2 | -167.7 | -165.7 | -18.5 | 0 | 0 | 0 | 111 | F182 M184 R249 M255 F256 | F182-N253 PolarHBondContact O-OD1 3.07Å; M184-N253 WeakPolarHBondContact CE-ND2 3.46Å; M184-N253 PolarHBondContact SD-ND2 3.01Å; R249-N253 PolarHBondContact O-N 3.02Å; N253-M255 PolarHBondContact O-N 2.93Å; N253-M255 VanDerWaalsContact O-N 3.09Å; N253-M255 PolarHBondContact OD1-N 3.48Å; N253-F256 HydrophobicContact CB-CD2 3.98Å; N253-F256 HydrophobicContact CB-CE2 4.16Å; N253-F256 PolarHBondContact O-N 3.49Å | ||
| 254 | E | 69 | Low | 68.3 | Low | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.5 | -179.8 | -69.2 | -174.5 | -177.2 | 0 | 0 | 113.4 | F256 | E254-F256 PolarHBondContact O-N 3.36Å; E254-F256 VanDerWaalsContact O-N 3.17Å |
| 255 | M | 67.3 | Low | 66.7 | Low | 26 Ų | 26 | 86.7 Ų | 86.7 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.7 | 174.4 | -177.6 | -176.9 | -74.6 | 0 | 0 | 112.8 | L75 M184 N253 D257 | L75-M255 HydrophobicContact CD2-SD 3.89Å; M184-M255 HydrophobicContact CE-CB 3.93Å; M184-M255 HydrophobicContact CE-CE 3.25Å; M184-M255 HydrophobicContact CE-CG 4.13Å; M184-M255 HydrophobicContact CE-SD 3.17Å; M184-M255 WeakPolarHBondContact CE-SD 3.08Å; M184-M255 HydrophobicContact CG-CE 3.53Å; M184-M255 HydrophobicContact SD-CE 4.02Å; N253-M255 PolarHBondContact O-N 2.93Å; N253-M255 VanDerWaalsContact O-N 3.09Å; N253-M255 PolarHBondContact OD1-N 3.48Å; M255-D257 PolarHBondContact O-N 3.23Å |
| 256 | F | 69.5 | Low | 64.9 | Low | 7 Ų | 7 | 89.4 Ų | 89.4 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | trans | -84.7 | 61.7 | -178.7 | -63.2 | -75.9 | 0 | 0 | 0 | 110.5 | Y65 V66 C248 P250 N253 E254 R258 Y259 | Y65-F256 VanDerWaalsContact CB-CD1 3.42Å; Y65-F256 CarbonylContact O-C 3.59Å; Y65-F256 WeakPolarHBondContact O-CA 3.35Å; V66-F256 HydrophobicContact CG2-CD1 3.7Å; V66-F256 HydrophobicContact CG2-CE1 3.72Å; C248-F256 HydrophobicContact CB-CE2 4.35Å; C248-F256 HydrophobicContact CB-CZ 4.42Å; C248-F256 WeakPolarHBondContact O-CE2 3.24Å; C248-F256 WeakPolarHBondContact O-CZ 3.33Å; P250-F256 HydrophobicContact CB-CB 4.22Å; P250-F256 HydrophobicContact CB-CD2 4.19Å; P250-F256 HydrophobicContact CB-CG 4.08Å; P250-F256 HydrophobicContact CG-CD2 4.45Å; P250-F256 HydrophobicContact CG-CG 4.42Å; N253-F256 HydrophobicContact CB-CD2 3.98Å; N253-F256 HydrophobicContact CB-CE2 4.16Å; N253-F256 PolarHBondContact O-N 3.49Å; E254-F256 PolarHBondContact O-N 3.36Å; E254-F256 VanDerWaalsContact O-N 3.17Å; F256-R258 PolarHBondContact O-N 3.3Å; F256-Y259 VanDerWaalsContact O-CB 3.26Å; F256-Y259 WeakPolarHBondContact O-CB 3.03Å; F256-Y259 PolarHBondContact O-N 3.29Å | ||
| 257 | D | 68.9 | Low | 63.3 | Low | 40 Ų | 40 | 87.9 Ų | 87.9 | 21% | 0.214 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -26 | -175.6 | -47.4 | -13.1 | 0 | 0 | 0 | 113.4 | R71 M255 R261 | R71-D257 IonicContact CZ-OD2 3.97Å; R71-D257 IonicContact NH1-OD1 3.42Å; R71-D257 PolarHBondContact NH1-OD1 3.49Å; R71-D257 IonicContact NH1-OD2 3.2Å; R71-D257 PolarHBondContact NH1-OD2 3.28Å; R71-D257 IonicContact NH2-OD1 3.02Å; R71-D257 IonicContact NH2-OD2 3.96Å; R71-D257 PolarHBondContact NH2-OD2 2.92Å; M255-D257 PolarHBondContact O-N 3.23Å; D257-R261 PolarHBondContact O-NE 3.41Å |
| 258 | R | 70.1 | Confident | 61.8 | Low | 141 Ų | 141 | 88.3 Ų | 88.3 | 53% | 0.532 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -23.2 | 178.7 | -154.1 | -177.8 | -162.6 | 176.5 | 2.4 | 112.9 | L64 Y65 F256 R261 V262 | L64-R258 WeakPolarHBondContact O-CD 3.08Å; Y65-R258 WeakPolarHBondContact O-CB 3.49Å; Y65-R258 PolarHBondContact O-N 3.46Å; F256-R258 PolarHBondContact O-N 3.3Å; R258-R261 PolarHBondContact O-N 3.48Å; R258-V262 WeakPolarHBondContact O-CG2 3.38Å |
| 259 | Y | 61.4 | Low | 60.4 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 24% | 0.239 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -47.7 | 180 | -172.8 | -94.2 | 0 | 0 | 0 | 111.3 | Y65 P250 T251 F256 R261 V262 | Y65-Y259 AromaticContact CD1-CD2 3.73Å; Y65-Y259 HydrophobicContact CD1-CD2 3.73Å; Y65-Y259 HydrophobicContact CD1-CG 4.27Å; Y65-Y259 AromaticContact CE1-CD2 3.44Å; Y65-Y259 HydrophobicContact CE1-CD2 3.44Å; Y65-Y259 VanDerWaalsContact CE1-CD2 3.44Å; Y65-Y259 HydrophobicContact CE1-CE2 4.22Å; Y65-Y259 HydrophobicContact CE1-CG 4.33Å; Y65-Y259 HydrophobicContact CG-CD2 4.44Å; Y65-Y259 AromaticContact CZ-CD2 3.93Å; P250-Y259 HydrophobicContact CB-CD1 4.27Å; P250-Y259 HydrophobicContact CB-CD2 3.4Å; P250-Y259 VanDerWaalsContact CB-CD2 3.4Å; P250-Y259 HydrophobicContact CB-CE2 3.89Å; P250-Y259 HydrophobicContact CB-CG 3.65Å; P250-Y259 HydrophobicContact CG-CD2 4.48Å; P250-Y259 WeakPolarHBondContact O-CD1 3.39Å; T251-Y259 HydrophobicContact CG2-CE1 3.6Å; T251-Y259 VanDerWaalsContact CG2-CZ 3.49Å; T251-Y259 WeakPolarHBondContact CG2-OH 3.3Å; F256-Y259 VanDerWaalsContact O-CB 3.26Å; F256-Y259 WeakPolarHBondContact O-CB 3.03Å; F256-Y259 PolarHBondContact O-N 3.29Å; Y259-R261 PolarHBondContact O-N 3.46Å; Y259-V262 PolarHBondContact O-N 3.2Å; Y259-V262 VanDerWaalsContact O-N 3.17Å |
| 260 | H | 60.9 | Low | 58.8 | Low | 144 Ų | 144 | 91.1 Ų | 91.1 | 67% | 0.667 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22 | 179.1 | -121.2 | 81 | 0 | 0 | 0 | 113.7 | V262 T263 | H260-V262 VanDerWaalsContact C-N 3.35Å; H260-T263 PolarHBondContact O-OG1 2.84Å |
| 261 | R | 57.9 | Low | 57.7 | Low | 179 Ų | 179 | 101.8 Ų | 101.8 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.3 | 175.1 | -78.8 | -171 | -104.4 | -176.4 | -10.4 | 114.1 | D257 R258 Y259 | D257-R261 PolarHBondContact O-NE 3.41Å; R258-R261 PolarHBondContact O-N 3.48Å; Y259-R261 PolarHBondContact O-N 3.46Å |
| 262 | V | 57.2 | Low | 56.3 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 62% | 0.624 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -21.1 | -177.9 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | R258 Y259 H260 P264 | R258-V262 WeakPolarHBondContact O-CG2 3.38Å; Y259-V262 PolarHBondContact O-N 3.2Å; Y259-V262 VanDerWaalsContact O-N 3.17Å; H260-V262 VanDerWaalsContact C-N 3.35Å; V262-P264 VanDerWaalsContact O-CD 3.29Å; V262-P264 WeakPolarHBondContact O-CD 3.45Å |
| 263 | T | 51.1 | Low | 54.8 | Low | 71 Ų | 71 | 108.9 Ų | 108.9 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | trans | -69.8 | 114.4 | 174 | 35.2 | 0 | 0 | 0 | 0 | 110.8 | H260 N265 | H260-T263 PolarHBondContact O-OG1 2.84Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.38Å | ||
| 264 | P | 51.1 | Low | 53.3 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 71% | 0.708 | 59% | 0.588 | S | S | * | * | trans | -91.5 | 39.3 | -167.4 | 37.9 | -35.3 | 0 | 0 | 0 | 113.8 | V262 | V262-P264 VanDerWaalsContact O-CD 3.29Å; V262-P264 WeakPolarHBondContact O-CD 3.45Å | ||
| 265 | N | 47 | Very low | 52.2 | Low | 148 Ų | 148 | 112.1 Ų | 112.1 | 79% | 0.791 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -115.5 | 74.3 | 170.3 | -79.4 | 0.1 | 0 | 0 | 0 | 109 | T263 | T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.38Å |
| 266 | D | 45.4 | Very low | 51.1 | Low | 113 Ų | 113 | 118.8 Ų | 118.8 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | trans | 172 | 59.9 | 138.4 | -84.7 | -23.3 | 0 | 0 | 0 | 110.9 | S268 | D266-S268 PolarHBondContact O-N 2.88Å; D266-S268 VanDerWaalsContact O-N 3.11Å | ||
| 267 | D | 47.5 | Very low | 50 | Low | 169 Ų | 169 | 125.6 Ų | 125.6 | 90% | 0.904 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 5.4 | 161.5 | -88.3 | -31.7 | 0 | 0 | 0 | 112.6 | ||
| 268 | S | 46.4 | Very low | 48.8 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -15.1 | -177.1 | 71.9 | 0 | 0 | 0 | 0 | 116.4 | D266 | D266-S268 PolarHBondContact O-N 2.88Å; D266-S268 VanDerWaalsContact O-N 3.11Å |
| 269 | D | 44 | Very low | 47.7 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -8.5 | -176.4 | -144.1 | 12.8 | 0 | 0 | 0 | 115.9 | R271 N272 | D269-R271 PolarHBondContact O-N 3.32Å; D269-N272 PolarHBondContact O-N 3.48Å |
| 270 | S | 45.6 | Very low | 46.9 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 9.3 | -178.1 | -70.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 271 | R | 43.2 | Very low | 46.2 | Very low | 242 Ų | 242 | 121.7 Ų | 121.7 | 91% | 0.913 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -17.8 | 171.2 | -91.6 | -172.5 | -166.6 | 171.6 | 6.9 | 114.6 | D269 | D269-R271 PolarHBondContact O-N 3.32Š|
| 272 | N | 40.6 | Very low | 45.8 | Very low | 134 Ų | 134 | 116.5 Ų | 116.5 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -109.7 | 2.4 | -165.5 | -75.8 | -14.9 | 0 | 0 | 0 | 116.6 | D269 | D269-N272 PolarHBondContact O-N 3.48Š|
| 273 | N | 36.2 | Very low | 45.3 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -141.2 | 119.3 | 166.6 | -101 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 274 | P | 38.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 116 Ų | 116 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | trans | -63.1 | 138.1 | 173.3 | 27.5 | -31.4 | 0 | 0 | 0 | 109 | Q276 | P274-Q276 PolarHBondContact O-N 3.49Å; P274-Q276 VanDerWaalsContact O-N 3.09Å | ||
| 275 | P | 47.2 | Very low | 45.2 | Very low | 83 Ų | 83 | 117 Ų | 117 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | trans | -71.6 | 110.7 | -165.2 | 26.3 | -33 | 0 | 0 | 0 | 111.1 | E277 A278 | P275-E277 HydrophobicContact CB-CB 4.29Å; P275-E277 PolarHBondContact O-N 2.86Å; P275-A278 PolarHBondContact O-N 2.81Å; P275-A278 VanDerWaalsContact O-N 3.11Å | ||
| 276 | Q | 43.8 | Very low | 45.4 | Very low | 166 Ų | 166 | 118.8 Ų | 118.8 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -54.8 | -18.4 | 164.4 | -72.4 | -177.2 | -17.1 | 0 | 0 | 112.1 | P274 A278 V279 I280 | P274-Q276 PolarHBondContact O-N 3.49Å; P274-Q276 VanDerWaalsContact O-N 3.09Å; Q276-A278 VanDerWaalsContact C-N 3.33Å; Q276-A278 PolarHBondContact O-N 3.42Å; Q276-V279 PolarHBondContact O-N 3.25Å; Q276-I280 PolarHBondContact O-N 2.85Å |
| 277 | E | 45.8 | Very low | 45.6 | Very low | 150 Ų | 150 | 120.5 Ų | 120.5 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.2 | -30.5 | 174.7 | -60.6 | -174.4 | 143.3 | 0 | 0 | 114.1 | P275 V279 I280 C281 | P275-E277 HydrophobicContact CB-CB 4.29Å; P275-E277 PolarHBondContact O-N 2.86Å; E277-V279 VanDerWaalsContact C-N 3.29Å; E277-V279 PolarHBondContact O-N 2.85Å; E277-I280 PolarHBondContact O-N 2.82Å; E277-C281 WeakPolarHBondContact O-CB 3.39Å; E277-C281 PolarHBondContact O-N 3.43Å |
| 278 | A | 43.7 | Very low | 45.8 | Very low | 62 Ų | 62 | 114 Ų | 114 | 51% | 0.512 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.1 | -33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P275 Q276 S282 | P275-A278 PolarHBondContact O-N 2.81Å; P275-A278 VanDerWaalsContact O-N 3.11Å; Q276-A278 VanDerWaalsContact C-N 3.33Å; Q276-A278 PolarHBondContact O-N 3.42Å; A278-S282 WeakPolarHBondContact O-CB 3.47Å; A278-S282 PolarHBondContact O-N 3.02Å |
| 279 | V | 46.6 | Very low | 46 | Very low | 95 Ų | 95 | 113.1 Ų | 113.1 | 58% | 0.576 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71 | -46.3 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | Q276 E277 C281 S282 T283 | Q276-V279 PolarHBondContact O-N 3.25Å; E277-V279 VanDerWaalsContact C-N 3.29Å; E277-V279 PolarHBondContact O-N 2.85Å; V279-C281 PolarHBondContact O-N 3.47Å; V279-S282 PolarHBondContact O-N 2.87Å; V279-S282 VanDerWaalsContact O-N 3.13Å; V279-S282 PolarHBondContact O-OG 3.46Å; V279-T283 PolarHBondContact O-N 3.3Å; V279-T283 PolarHBondContact O-OG1 3.4Å; V279-T283 VanDerWaalsContact O-OG1 3.08Å |
| 280 | I | 45.7 | Very low | 46.5 | Very low | 83 Ų | 83 | 112.1 Ų | 112.1 | 43% | 0.426 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 177.8 | -60.3 | 173.8 | 0 | 0 | 0 | 111.2 | Q276 E277 S282 T283 L284 | Q276-I280 PolarHBondContact O-N 2.85Å; E277-I280 PolarHBondContact O-N 2.82Å; I280-S282 VanDerWaalsContact C-N 3.32Å; I280-S282 PolarHBondContact O-N 3.04Å; I280-T283 PolarHBondContact O-N 3.06Å; I280-L284 HydrophobicContact CG2-CD1 3.98Å; I280-L284 HydrophobicContact CG2-CG 4.46Å; I280-L284 WeakPolarHBondContact O-CB 2.98Å; I280-L284 PolarHBondContact O-N 2.81Å |
| 281 | C | 46.6 | Very low | 46.5 | Very low | 64 Ų | 64 | 110.3 Ų | 110.3 | 43% | 0.432 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.4 | -41.4 | 172.6 | -87 | 0 | 0 | 0 | 0 | 111.8 | E277 V279 Q285 | E277-C281 WeakPolarHBondContact O-CB 3.39Å; E277-C281 PolarHBondContact O-N 3.43Å; V279-C281 PolarHBondContact O-N 3.47Å; C281-Q285 WeakPolarHBondContact O-CB 3.39Å; C281-Q285 PolarHBondContact O-N 3.31Å |
| 282 | S | 48 | Very low | 46.6 | Very low | 70 Ų | 70 | 101.4 Ų | 101.4 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 177.4 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | A278 V279 I280 R286 | A278-S282 WeakPolarHBondContact O-CB 3.47Å; A278-S282 PolarHBondContact O-N 3.02Å; V279-S282 PolarHBondContact O-N 2.87Å; V279-S282 VanDerWaalsContact O-N 3.13Å; V279-S282 PolarHBondContact O-OG 3.46Å; I280-S282 VanDerWaalsContact C-N 3.32Å; I280-S282 PolarHBondContact O-N 3.04Å; S282-R286 VanDerWaalsContact O-CB 3.26Å; S282-R286 WeakPolarHBondContact O-CB 3.11Å; S282-R286 PolarHBondContact O-N 3.23Å |
| 283 | T | 47.4 | Very low | 46.4 | Very low | 79 Ų | 79 | 101.7 Ų | 101.7 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.5 | -42 | 177 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | V279 I280 R286 F287 | V279-T283 PolarHBondContact O-N 3.3Å; V279-T283 PolarHBondContact O-OG1 3.4Å; V279-T283 VanDerWaalsContact O-OG1 3.08Å; I280-T283 PolarHBondContact O-N 3.06Å; T283-R286 PolarHBondContact O-N 3.21Å; T283-F287 PolarHBondContact O-N 3.12Å |
| 284 | L | 48 | Very low | 46.6 | Very low | 84 Ų | 84 | 98.8 Ų | 98.8 | 44% | 0.44 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.8 | -81.1 | 170.9 | 0 | 0 | 0 | 112.1 | F182 I280 R286 F287 D288 | F182-L284 HydrophobicContact CZ-CD1 4.41Å; I280-L284 HydrophobicContact CG2-CD1 3.98Å; I280-L284 HydrophobicContact CG2-CG 4.46Å; I280-L284 WeakPolarHBondContact O-CB 2.98Å; I280-L284 PolarHBondContact O-N 2.81Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-F287 PolarHBondContact O-N 2.92Å; L284-D288 WeakPolarHBondContact O-CB 3.4Å; L284-D288 PolarHBondContact O-N 3.07Å |
| 285 | Q | 52.8 | Low | 46.2 | Very low | 130 Ų | 130 | 99.6 Ų | 99.6 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.2 | -34.7 | 176.4 | -167.8 | 148.6 | -44.4 | 0 | 0 | 111.7 | C281 D288 D289 | C281-Q285 WeakPolarHBondContact O-CB 3.39Å; C281-Q285 PolarHBondContact O-N 3.31Å; Q285-D288 PolarHBondContact O-N 3.45Å; Q285-D289 WeakPolarHBondContact O-CB 3.49Å; Q285-D289 PolarHBondContact O-N 2.92Å |
| 286 | R | 50.4 | Low | 45.4 | Very low | 186 Ų | 186 | 99.5 Ų | 99.5 | 70% | 0.702 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 172.4 | -172.6 | 170.1 | -96.9 | 173.2 | -9.1 | 112.3 | S282 T283 L284 D289 D290 | S282-R286 VanDerWaalsContact O-CB 3.26Å; S282-R286 WeakPolarHBondContact O-CB 3.11Å; S282-R286 PolarHBondContact O-N 3.23Å; T283-R286 PolarHBondContact O-N 3.21Å; L284-R286 VanDerWaalsContact C-N 3.34Å; R286-D289 PolarHBondContact O-N 2.88Å; R286-D290 PolarHBondContact O-N 3.27Å |
| 287 | F | 49 | Very low | 44.8 | Very low | 148 Ų | 148 | 95 Ų | 95 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 170.9 | -111.5 | -86.1 | 0 | 0 | 0 | 112.5 | T283 L284 D291 | T283-F287 PolarHBondContact O-N 3.12Å; L284-F287 PolarHBondContact O-N 2.92Å; F287-D291 PolarHBondContact O-N 2.93Å; F287-D291 VanDerWaalsContact O-N 3.13Å |
| 288 | D | 51.7 | Low | 44.1 | Very low | 34 Ų | 34 | 93.1 Ų | 93.1 | 18% | 0.182 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -70.7 | -36.8 | 178.4 | -152.9 | -103.8 | 0 | 0 | 0 | 111.7 | L70 R74 L284 Q285 T292 | L70-D288 WeakPolarHBondContact CB-OD1 2.89Å; L70-D288 WeakPolarHBondContact CD2-OD1 3.21Å; L70-D288 WeakPolarHBondContact CD2-OD2 2.96Å; R74-D288 IonicContact CZ-OD2 2.69Å; R74-D288 IonicContact NH2-OD2 3.34Å; R74-D288 PolarHBondContact NH2-OD2 3.31Å; L284-D288 WeakPolarHBondContact O-CB 3.4Å; L284-D288 PolarHBondContact O-N 3.07Å; Q285-D288 PolarHBondContact O-N 3.45Å; D288-T292 VanDerWaalsContact O-CB 3.26Å; D288-T292 WeakPolarHBondContact O-CB 3.24Å; D288-T292 PolarHBondContact O-N 3.12Å; D288-T292 PolarHBondContact O-OG1 2.87Å |
| 289 | D | 51.6 | Low | 43.6 | Very low | 86 Ų | 86 | 94.1 Ų | 94.1 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 173.8 | -82.8 | -40.2 | 0 | 0 | 0 | 111.7 | Q285 R286 T292 Q293 | Q285-D289 WeakPolarHBondContact O-CB 3.49Å; Q285-D289 PolarHBondContact O-N 2.92Å; R286-D289 PolarHBondContact O-N 2.88Å; D289-T292 PolarHBondContact O-N 2.94Å; D289-Q293 WeakPolarHBondContact O-CB 3.4Å; D289-Q293 WeakPolarHBondContact O-CG 3.5Å; D289-Q293 PolarHBondContact O-N 3.41Å |
| 290 | D | 53.2 | Low | 42.9 | Very low | 93 Ų | 93 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.6 | -76.5 | -25.9 | 0 | 0 | 0 | 110.8 | R286 T292 Q293 V294 | R286-D290 PolarHBondContact O-N 3.27Å; D290-T292 VanDerWaalsContact C-N 3.33Å; D290-T292 PolarHBondContact O-N 3.18Å; D290-Q293 PolarHBondContact O-N 3.43Å; D290-V294 VanDerWaalsContact O-CG2 3.26Å; D290-V294 WeakPolarHBondContact O-CG2 3.28Å; D290-V294 PolarHBondContact O-N 3.27Å |
| 291 | D | 45.9 | Very low | 42.8 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 40% | 0.396 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 174.4 | -85.2 | -25.9 | 0 | 0 | 0 | 112.6 | F287 F295 | F287-D291 PolarHBondContact O-N 2.93Å; F287-D291 VanDerWaalsContact O-N 3.13Å; D291-F295 PolarHBondContact O-N 3.14Å |
| 292 | T | 45.2 | Very low | 42.6 | Very low | 55 Ų | 55 | 102.4 Ų | 102.4 | 34% | 0.337 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.6 | -38.1 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | D288 D289 D290 F295 C296 | D288-T292 VanDerWaalsContact O-CB 3.26Å; D288-T292 WeakPolarHBondContact O-CB 3.24Å; D288-T292 PolarHBondContact O-N 3.12Å; D288-T292 PolarHBondContact O-OG1 2.87Å; D289-T292 PolarHBondContact O-N 2.94Å; D290-T292 VanDerWaalsContact C-N 3.33Å; D290-T292 PolarHBondContact O-N 3.18Å; T292-F295 CarbonylContact O-C 3.58Å; T292-F295 WeakPolarHBondContact O-CA 3.34Å; T292-F295 WeakPolarHBondContact O-CB 3.27Å; T292-F295 PolarHBondContact O-N 2.96Å; T292-F295 VanDerWaalsContact O-N 3.11Å; T292-C296 PolarHBondContact O-N 3.22Å |
| 293 | Q | 37.6 | Very low | 42.3 | Very low | 140 Ų | 140 | 104.2 Ų | 104.2 | 65% | 0.654 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.5 | -41.9 | 172.3 | -79.2 | -165 | 17.5 | 0 | 0 | 111.4 | D289 D290 F295 C296 A297 | D289-Q293 WeakPolarHBondContact O-CB 3.4Å; D289-Q293 WeakPolarHBondContact O-CG 3.5Å; D289-Q293 PolarHBondContact O-N 3.41Å; D290-Q293 PolarHBondContact O-N 3.43Å; Q293-F295 PolarHBondContact O-N 3.43Å; Q293-C296 PolarHBondContact O-N 2.98Å; Q293-A297 WeakPolarHBondContact O-CB 3.29Å; Q293-A297 PolarHBondContact O-N 3.38Å |
| 294 | V | 39.1 | Very low | 42 | Very low | 82 Ų | 82 | 105.6 Ų | 105.6 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.5 | -37.4 | 171.2 | 173 | 0 | 0 | 0 | 0 | 110.5 | D290 A297 T298 | D290-V294 VanDerWaalsContact O-CG2 3.26Å; D290-V294 WeakPolarHBondContact O-CG2 3.28Å; D290-V294 PolarHBondContact O-N 3.27Å; V294-A297 PolarHBondContact O-N 3.38Å; V294-T298 WeakPolarHBondContact O-CB 3.4Å; V294-T298 PolarHBondContact O-N 2.89Å; V294-T298 PolarHBondContact O-OG1 3.48Å |
| 295 | F | 31.5 | Very low | 41.6 | Very low | 127 Ų | 127 | 107 Ų | 107 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -42.3 | 174.9 | -140.2 | -80.4 | 0 | 0 | 0 | 112.8 | R115 D291 T292 Q293 A299 | R115-F295 VanDerWaalsContact NH1-CD2 3.34Å; D291-F295 PolarHBondContact O-N 3.14Å; T292-F295 CarbonylContact O-C 3.58Å; T292-F295 WeakPolarHBondContact O-CA 3.34Å; T292-F295 WeakPolarHBondContact O-CB 3.27Å; T292-F295 PolarHBondContact O-N 2.96Å; T292-F295 VanDerWaalsContact O-N 3.11Å; Q293-F295 PolarHBondContact O-N 3.43Å; F295-A299 WeakPolarHBondContact O-CB 3.38Å; F295-A299 PolarHBondContact O-N 3.03Å |
| 296 | C | 29.5 | Very low | 40.9 | Very low | 82 Ų | 82 | 105.5 Ų | 105.5 | 55% | 0.554 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -35.6 | 174.2 | -78.5 | 0 | 0 | 0 | 0 | 112.5 | T292 Q293 T298 | T292-C296 PolarHBondContact O-N 3.22Å; Q293-C296 PolarHBondContact O-N 2.98Å; C296-T298 VanDerWaalsContact C-N 3.35Å |
| 297 | A | 31.1 | Very low | 40.2 | Very low | 70 Ų | 70 | 99.7 Ų | 99.7 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73 | -25.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q293 V294 | Q293-A297 WeakPolarHBondContact O-CB 3.29Å; Q293-A297 PolarHBondContact O-N 3.38Å; V294-A297 PolarHBondContact O-N 3.38Å |
| 298 | T | 32.6 | Very low | 39.5 | Very low | 112 Ų | 112 | 96 Ų | 96 | 69% | 0.687 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -93.2 | -13.3 | 179.1 | -41.5 | 0 | 0 | 0 | 0 | 112.7 | V294 C296 | V294-T298 WeakPolarHBondContact O-CB 3.4Å; V294-T298 PolarHBondContact O-N 2.89Å; V294-T298 PolarHBondContact O-OG1 3.48Å; C296-T298 VanDerWaalsContact C-N 3.35Å |
| 299 | A | 32.6 | Very low | 38.5 | Very low | 83 Ų | 83 | 101.2 Ų | 101.2 | 69% | 0.686 | 58% | 0.584 | S | S | * | * | trans | -94.8 | -6.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F295 | F295-A299 WeakPolarHBondContact O-CB 3.38Å; F295-A299 PolarHBondContact O-N 3.03Å | ||
| 300 | L | 32.1 | Very low | 37.3 | Very low | 210 Ų | 210 | 102.5 Ų | 102.5 | 100% | 1.099 | 60% | 0.595 | S | S | * | * | trans | -97.1 | 0 | 167.4 | -82.7 | 160.3 | 0 | 0 | 0 | 109.7 |
Retrieved 300 of 300 residues in 82.5 ms
(Link to these results)