| 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 | S | 36.3 | Very low | 30.3 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 100% | 1.224 | 80% | 0.8 | S | S | * | * | 0 | 97.3 | 0 | -40.4 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 2 | S | 26.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | -164.5 | 131.4 | 75 | 37.2 | 0 | 0 | 0 | 0 | 109.9 | S4 | S2-S4 PolarHBondContact O-N 3.37Š| |||
| 3 | Y | 26.8 | Very low | 31.5 | Very low | 234 Ų | 234 | 127.8 Ų | 127.8 | 92% | 0.918 | 75% | 0.748 | S | S | * | * | trans | -65 | 117.4 | 168.9 | -90.9 | -106.3 | 0 | 0 | 0 | 109.6 | ||||
| 4 | S | 28.1 | Very low | 32.5 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -97.6 | 104.3 | 157.4 | 55.9 | 0 | 0 | 0 | 0 | 107.5 | S2 G6 | S2-S4 PolarHBondContact O-N 3.37Å; S4-G6 PolarHBondContact O-N 3.12Å | ||
| 5 | T | 28.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -54.9 | 103 | 171.4 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | S7 | T5-S7 PolarHBondContact O-N 3Å; T5-S7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | G | 28.4 | Very low | 34.2 | Very low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | trans | -64.1 | 109.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S4 L8 | S4-G6 PolarHBondContact O-N 3.12Å; G6-L8 PolarHBondContact O-N 3.08Å; G6-L8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | S | 32.5 | Very low | 34.7 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | trans | -55 | 113 | 163.7 | 41.3 | 0 | 0 | 0 | 0 | 107.6 | T5 F9 | T5-S7 PolarHBondContact O-N 3Å; T5-S7 VanDerWaalsContact O-N 3.12Å; S7-F9 VanDerWaalsContact C-N 3.31Å; S7-F9 VanDerWaalsContact O-CD2 3.25Å; S7-F9 WeakPolarHBondContact O-CD2 3.33Å; S7-F9 PolarHBondContact O-N 2.87Å; S7-F9 WeakPolarHBondContact OG-CE2 3.25Å | ||
| 8 | L | 30.1 | Very low | 35.1 | Very low | 172 Ų | 172 | 114.3 Ų | 114.3 | 90% | 0.901 | 64% | 0.636 | S | S | * | * | trans | -61.2 | 97.8 | 170 | -124.9 | 100 | 0 | 0 | 0 | 106.6 | G6 M10 | G6-L8 PolarHBondContact O-N 3.08Å; G6-L8 VanDerWaalsContact O-N 3.08Å; L8-M10 PolarHBondContact O-N 2.9Å; L8-M10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | F | 32.5 | Very low | 35.4 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 66% | 0.658 | 64% | 0.637 | S | S | * | * | trans | -69.1 | 107.2 | 170 | -70.4 | -81.3 | 0 | 0 | 0 | 106.8 | S7 L11 | S7-F9 VanDerWaalsContact C-N 3.31Å; S7-F9 VanDerWaalsContact O-CD2 3.25Å; S7-F9 WeakPolarHBondContact O-CD2 3.33Å; S7-F9 PolarHBondContact O-N 2.87Å; S7-F9 WeakPolarHBondContact OG-CE2 3.25Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 3.1Å | ||
| 10 | M | 31.3 | Very low | 35.8 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 80% | 0.803 | 64% | 0.643 | S | S | * | * | trans | -74.1 | 85.6 | 176.4 | -157.6 | 168.6 | 93.5 | 0 | 0 | 108.3 | L8 S12 | L8-M10 PolarHBondContact O-N 2.9Å; L8-M10 VanDerWaalsContact O-N 3.1Å; M10-S12 PolarHBondContact O-N 2.85Å; M10-S12 VanDerWaalsContact O-N 3.15Å; M10-S12 PolarHBondContact O-OG 2.84Å | ||
| 11 | L | 33 | Very low | 36 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | trans | -63.7 | 111.9 | 173.6 | -72 | 165.3 | 0 | 0 | 0 | 108 | F9 I75 | F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 3.1Å; L11-I75 HydrophobicContact CB-CD1 3.85Å; L11-I75 HydrophobicContact CB-CG2 4.18Å; L11-I75 HydrophobicContact CD1-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CB 4.33Å; L11-I75 HydrophobicContact CD2-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CG2 3.59Å; L11-I75 HydrophobicContact CG-CD1 4.36Å; L11-I75 HydrophobicContact CG-CG2 4.48Å | ||
| 12 | S | 35.4 | Very low | 36.1 | Very low | 37 Ų | 37 | 114.4 Ų | 114.4 | 26% | 0.259 | 61% | 0.612 | S | S | . | * | trans | -119.2 | 119.2 | -175 | -40.6 | 0 | 0 | 0 | 0 | 108.7 | M10 W14 | M10-S12 PolarHBondContact O-N 2.85Å; M10-S12 VanDerWaalsContact O-N 3.15Å; M10-S12 PolarHBondContact O-OG 2.84Å; S12-W14 PolarHBondContact O-N 2.8Å; S12-W14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | P | 40.6 | Very low | 37 | Very low | 103 Ų | 103 | 114.9 Ų | 114.9 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | -74.3 | 105 | 176.6 | 29.3 | -30.7 | 0 | 0 | 0 | 108.2 | ||||
| 14 | W | 45 | Very low | 38.1 | Very low | 142 Ų | 142 | 110.8 Ų | 110.8 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | trans | -128.6 | 116.6 | 173.5 | -60 | 102.9 | 0 | 0 | 0 | 109.3 | S12 W27 | S12-W14 PolarHBondContact O-N 2.8Å; S12-W14 VanDerWaalsContact O-N 3.14Å; W14-W27 VanDerWaalsContact O-CZ3 3.26Å; W14-W27 WeakPolarHBondContact O-CZ3 3.21Å | ||
| 15 | V | 46.5 | Very low | 39.2 | Very low | 18 Ų | 18 | 107.5 Ų | 107.5 | 11% | 0.109 | 57% | 0.57 | C | S | . | * | trans | -135.7 | 122.3 | 162.9 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | A52 L54 | V15-A52 VanDerWaalsContact CB-O 3.31Å; V15-A52 WeakPolarHBondContact CB-O 3.26Å; V15-A52 VanDerWaalsContact O-O 3.13Å; V15-L54 HydrophobicContact CG1-CD1 4.38Å; V15-L54 HydrophobicContact CG1-CG 4.05Å; V15-L54 HydrophobicContact CG2-CB 4.44Å; V15-L54 HydrophobicContact CG2-CD1 4.13Å; V15-L54 HydrophobicContact CG2-CG 3.92Å | ||
| 16 | G | 46.5 | Very low | 40.4 | Very low | 4 Ų | 4 | 101.7 Ų | 101.7 | 4% | 0.041 | 54% | 0.536 | C | S | . | . | trans | 34.7 | 110.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120 | W25 G26 | G16-W25 VanDerWaalsContact O-CZ3 3.29Å; G16-W25 WeakPolarHBondContact O-CZ3 3.49Å; G16-G26 WeakPolarHBondContact CA-O 2.75Å; G16-G26 PolarHBondContact N-O 2.84Å | ||
| 17 | L | 41.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 101.4 Ų | 101.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | trans | -74.4 | 120.9 | 155.3 | -63.4 | 171.1 | 0 | 0 | 0 | 109.5 | K19 F50 | L17-K19 PolarHBondContact O-N 2.96Å; L17-K19 VanDerWaalsContact O-N 3.08Å; L17-F50 WeakPolarHBondContact CA-O 2.95Å; L17-F50 WeakPolarHBondContact CD2-O 2.97Å | ||
| 18 | R | 41.9 | Very low | 42.3 | Very low | 127 Ų | 127 | 103.6 Ų | 103.6 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | trans | -69.2 | 101.8 | 160.5 | -176.6 | -179.3 | 178.1 | -179.1 | 3.3 | 107.9 | D47 | R18-D47 IonicContact CZ-OD1 2.8Å; R18-D47 IonicContact NH1-OD1 2.63Å; R18-D47 PolarHBondContact NH1-OD1 3.15Å | ||
| 19 | K | 42 | Very low | 43.3 | Very low | 154 Ų | 154 | 99.8 Ų | 99.8 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | trans | -64.9 | 135.9 | 165 | -90.3 | -177.7 | 176.8 | 174.4 | 0 | 108.2 | L17 N21 V22 | L17-K19 PolarHBondContact O-N 2.96Å; L17-K19 VanDerWaalsContact O-N 3.08Å; K19-N21 PolarHBondContact O-N 3.35Å; K19-V22 HydrophobicContact CB-CG2 4.16Å; K19-V22 PolarHBondContact O-N 3.24Å; K19-V22 VanDerWaalsContact O-N 3.07Å | ||
| 20 | I | 42.5 | Very low | 44.2 | Very low | 147 Ų | 147 | 95.7 Ų | 95.7 | 75% | 0.754 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -0.5 | -174.6 | -62.5 | 167.2 | 0 | 0 | 0 | 113.8 | F50 | I20-F50 HydrophobicContact CD1-CE1 4.09Å; I20-F50 HydrophobicContact CD1-CZ 4.35Å; I20-F50 HydrophobicContact CG1-CE1 4.1Å |
| 21 | N | 39.7 | Very low | 45.2 | Very low | 164 Ų | 164 | 89.9 Ų | 89.9 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | 16.2 | -179.3 | -119.5 | -7.6 | 0 | 0 | 0 | 115.5 | K19 | K19-N21 PolarHBondContact O-N 3.35Š|
| 22 | V | 40.1 | Very low | 46.1 | Very low | 55 Ų | 55 | 89 Ų | 89 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | trans | -136.4 | 129.1 | -176.4 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | K19 Y24 | K19-V22 HydrophobicContact CB-CG2 4.16Å; K19-V22 PolarHBondContact O-N 3.24Å; K19-V22 VanDerWaalsContact O-N 3.07Å; V22-Y24 HydrophobicContact CG1-CD1 3.21Å; V22-Y24 HydrophobicContact CG1-CE1 3.08Å; V22-Y24 HydrophobicContact CG1-CG 4.04Å; V22-Y24 PolarHBondContact O-N 3.4Å | ||
| 23 | S | 44.8 | Very low | 47 | Very low | 128 Ų | 128 | 90.2 Ų | 90.2 | 90% | 0.895 | 47% | 0.467 | S | S | * | . | trans | -90.9 | 21.8 | -174.3 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 24 | Y | 50 | Low | 47.4 | Very low | 148 Ų | 148 | 91.7 Ų | 91.7 | 58% | 0.58 | 47% | 0.474 | S | S | * | . | trans | -130.2 | 148.9 | 177.1 | 72.3 | -101.5 | 0 | 0 | 0 | 112.4 | V22 | V22-Y24 HydrophobicContact CG1-CD1 3.21Å; V22-Y24 HydrophobicContact CG1-CE1 3.08Å; V22-Y24 HydrophobicContact CG1-CG 4.04Å; V22-Y24 PolarHBondContact O-N 3.4Å | ||
| 25 | W | 51.1 | Low | 47.6 | Very low | 43 Ų | 43 | 89.5 Ų | 89.5 | 16% | 0.163 | 47% | 0.473 | C | S | . | . | trans | -95.4 | 137 | 176.1 | -65.1 | 78 | 0 | 0 | 0 | 109.5 | G16 F33 W40 P45 A52 | G16-W25 VanDerWaalsContact O-CZ3 3.29Å; G16-W25 WeakPolarHBondContact O-CZ3 3.49Å; W25-F33 HydrophobicContact CB-CE2 4.14Å; W25-F33 WeakPolarHBondContact O-CE2 3.12Å; W25-W40 HydrophobicContact CB-CZ2 4.32Å; W25-W40 HydrophobicContact CG-CZ2 4.22Å; W25-P45 VanDerWaalsContact CD1-CG 3.46Å; W25-P45 HydrophobicContact CD2-CG 4.33Å; W25-P45 HydrophobicContact CG-CG 4.3Å; W25-P45 HydrophobicContact CZ2-CB 3.83Å; W25-P45 HydrophobicContact CZ2-CG 4.01Å; W25-A52 HydrophobicContact CH2-CB 4.41Å; W25-A52 HydrophobicContact CZ3-CB 4.15Å | ||
| 26 | G | 53.7 | Low | 47.8 | Very low | 9 Ų | 9 | 94 Ų | 94 | 9% | 0.093 | 51% | 0.505 | C | S | . | . | trans | -150.5 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G16 | G16-G26 WeakPolarHBondContact CA-O 2.75Å; G16-G26 PolarHBondContact N-O 2.84Å | ||
| 27 | W | 52 | Low | 48.1 | Very low | 63 Ų | 63 | 99 Ų | 99 | 24% | 0.239 | 54% | 0.535 | C | S | . | . | trans | -61.8 | 161.7 | 170.1 | -64.4 | 106.5 | 0 | 0 | 0 | 110.7 | W14 D29 A30 S31 F33 C76 | W14-W27 VanDerWaalsContact O-CZ3 3.26Å; W14-W27 WeakPolarHBondContact O-CZ3 3.21Å; W27-D29 WeakPolarHBondContact CB-OD1 3.2Å; W27-D29 PolarHBondContact O-N 2.8Å; W27-D29 VanDerWaalsContact O-N 3.15Å; W27-A30 WeakPolarHBondContact O-CA 2.67Å; W27-A30 PolarHBondContact O-N 3.08Å; W27-S31 VanDerWaalsContact CD1-O 3.25Å; W27-S31 PolarHBondContact N-O 3.48Å; W27-F33 HydrophobicContact CH2-CE1 4.47Å; W27-F33 AromaticContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CE1 4.11Å; W27-C76 HydrophobicContact CH2-CB 3.26Å; W27-C76 HydrophobicContact CZ2-CB 3.95Å; W27-C76 HydrophobicContact CZ3-CB 4.15Å | ||
| 28 | E | 47.8 | Very low | 48.7 | Very low | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29 | 175.9 | -169.8 | -179.1 | -163.8 | 0 | 0 | 112.3 | A30 | E28-A30 PolarHBondContact O-N 2.87Š|
| 29 | D | 51.5 | Low | 49.4 | Very low | 92 Ų | 92 | 100.8 Ų | 100.8 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 9.1 | 173.2 | 65.7 | 13.2 | 0 | 0 | 0 | 114.2 | W27 S31 K78 | W27-D29 WeakPolarHBondContact CB-OD1 3.2Å; W27-D29 PolarHBondContact O-N 2.8Å; W27-D29 VanDerWaalsContact O-N 3.15Å; D29-S31 PolarHBondContact O-N 3.28Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.28Å; D29-S31 PolarHBondContact OD1-N 3.14Å; D29-S31 VanDerWaalsContact OD1-N 3.09Å; D29-S31 PolarHBondContact OD1-OG 2.87Å; D29-K78 IonicContact OD2-NZ 3.09Å; D29-K78 PolarHBondContact OD2-NZ 3.09Å; D29-K78 VanDerWaalsContact OD2-NZ 3.09Å |
| 30 | A | 51.8 | Low | 50.3 | Low | 65 Ų | 65 | 97 Ų | 97 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | trans | 61 | 14.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | W27 E28 | W27-A30 WeakPolarHBondContact O-CA 2.67Å; W27-A30 PolarHBondContact O-N 3.08Å; E28-A30 PolarHBondContact O-N 2.87Å | ||
| 31 | S | 52.3 | Low | 51.1 | Low | 40 Ų | 40 | 91.9 Ų | 91.9 | 28% | 0.28 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 145.2 | 173.7 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | W27 D29 | W27-S31 VanDerWaalsContact CD1-O 3.25Å; W27-S31 PolarHBondContact N-O 3.48Å; D29-S31 PolarHBondContact O-N 3.28Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.28Å; D29-S31 PolarHBondContact OD1-N 3.14Å; D29-S31 VanDerWaalsContact OD1-N 3.09Å; D29-S31 PolarHBondContact OD1-OG 2.87Å |
| 32 | P | 52.4 | Low | 51.9 | Low | 101 Ų | 101 | 90.4 Ų | 90.4 | 66% | 0.656 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 154.4 | 176.8 | 29.2 | -33.6 | 0 | 0 | 0 | 111.2 | T34 | P32-T34 PolarHBondContact O-N 3.09Å; P32-T34 VanDerWaalsContact O-N 3.12Å |
| 33 | F | 53 | Low | 52.7 | Low | 63 Ų | 63 | 91.6 Ų | 91.6 | 28% | 0.276 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 118.5 | 172.5 | -65.8 | -75 | 0 | 0 | 0 | 109.9 | W25 W27 N35 | W25-F33 HydrophobicContact CB-CE2 4.14Å; W25-F33 WeakPolarHBondContact O-CE2 3.12Å; W27-F33 HydrophobicContact CH2-CE1 4.47Å; W27-F33 AromaticContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CE1 4.11Å; F33-N35 VanDerWaalsContact C-N 3.29Å; F33-N35 PolarHBondContact O-N 3.14Å |
| 34 | T | 49 | Very low | 53.4 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 82% | 0.822 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -81.6 | -7.1 | -173.4 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | P32 | P32-T34 PolarHBondContact O-N 3.09Å; P32-T34 VanDerWaalsContact O-N 3.12Å |
| 35 | N | 49.8 | Very low | 53.6 | Low | 95 Ų | 95 | 82.3 Ų | 82.3 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | trans | -122.2 | 108.4 | -177.7 | -162.8 | -24.5 | 0 | 0 | 0 | 111.3 | F33 T37 | F33-N35 VanDerWaalsContact C-N 3.29Å; F33-N35 PolarHBondContact O-N 3.14Å; N35-T37 PolarHBondContact O-N 3.43Å; N35-T37 VanDerWaalsContact O-N 3.13Å; N35-T37 PolarHBondContact OD1-OG1 3.12Å | ||
| 36 | S | 50.1 | Low | 53.8 | Low | 113 Ų | 113 | 82.1 Ų | 82.1 | 79% | 0.79 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 13 | -171.7 | 57.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 37 | T | 52.5 | Low | 53.9 | Low | 109 Ų | 109 | 88.3 Ų | 88.3 | 67% | 0.669 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.7 | 178.3 | 49 | 0 | 0 | 0 | 0 | 113.2 | N35 | N35-T37 PolarHBondContact O-N 3.43Å; N35-T37 VanDerWaalsContact O-N 3.13Å; N35-T37 PolarHBondContact OD1-OG1 3.12Å |
| 38 | L | 54.1 | Low | 53.9 | Low | 69 Ų | 69 | 86.1 Ų | 86.1 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | trans | -92.8 | 119.1 | -179.4 | -64.5 | 175.1 | 0 | 0 | 0 | 110 | L62 | L38-L62 HydrophobicContact CB-CD1 3.67Å; L38-L62 HydrophobicContact CB-CG 4.27Å; L38-L62 HydrophobicContact CD1-CD1 4.22Å; L38-L62 HydrophobicContact CD2-CD1 4.25Å; L38-L62 HydrophobicContact CD2-CD2 4.08Å; L38-L62 HydrophobicContact CD2-CG 4.2Å; L38-L62 HydrophobicContact CG-CD1 4.26Å | ||
| 39 | R | 57.2 | Low | 54 | Low | 199 Ų | 199 | 82.2 Ų | 82.2 | 75% | 0.751 | 49% | 0.493 | S | S | * | . | trans | -122 | 137.4 | 174.2 | -67.1 | -174.3 | 178.8 | -172.7 | -0.3 | 109.5 | G61 L62 | R39-G61 CarbonylContact O-C 3.57Å; R39-G61 WeakPolarHBondContact O-CA 3.32Å; R39-L62 PolarHBondContact O-N 3.2Å | ||
| 40 | W | 60.4 | Low | 53.8 | Low | 75 Ų | 75 | 84.4 Ų | 84.4 | 28% | 0.284 | 50% | 0.498 | S | S | . | . | B | Isolated β-bridge | trans | -64.6 | 147.2 | 172.3 | -66.1 | 104.9 | 0 | 0 | 0 | 110.8 | W25 E44 P45 L54 L62 A64 | W25-W40 HydrophobicContact CB-CZ2 4.32Å; W25-W40 HydrophobicContact CG-CZ2 4.22Å; W40-E44 HydrophobicContact CE3-CB 4.15Å; W40-P45 HydrophobicContact CD2-CB 4.33Å; W40-P45 HydrophobicContact CD2-CG 4.32Å; W40-P45 HydrophobicContact CE3-CB 4.01Å; W40-P45 HydrophobicContact CE3-CG 4.48Å; W40-P45 HydrophobicContact CH2-CB 3.89Å; W40-P45 HydrophobicContact CH2-CG 4.46Å; W40-P45 HydrophobicContact CZ2-CB 4.25Å; W40-P45 HydrophobicContact CZ2-CG 4.33Å; W40-P45 HydrophobicContact CZ3-CB 3.8Å; W40-L54 HydrophobicContact CE3-CD2 4.46Å; W40-L54 HydrophobicContact CH2-CD2 3.2Å; W40-L54 HydrophobicContact CZ2-CD2 4.04Å; W40-L54 HydrophobicContact CZ3-CD2 3.43Å; W40-L54 VanDerWaalsContact CZ3-CD2 3.43Å; W40-L62 HydrophobicContact CD2-CB 4.22Å; W40-L62 HydrophobicContact CE3-CB 3.74Å; W40-L62 HydrophobicContact CZ3-CB 4.05Å; W40-A64 HydrophobicContact CH2-CB 4.09Å; W40-A64 HydrophobicContact CZ3-CB 3.84Å |
| 41 | L | 60.2 | Low | 53.8 | Low | 40 Ų | 40 | 83.9 Ų | 83.9 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 153.6 | 168.3 | -72.6 | 173.7 | 0 | 0 | 0 | 110.8 | G43 E44 T57 L62 | L41-G43 PolarHBondContact O-N 3.35Å; L41-E44 HydrophobicContact CB-CB 4.26Å; L41-E44 HydrophobicContact CB-CG 4.15Å; L41-E44 WeakPolarHBondContact O-CB 3.2Å; L41-E44 PolarHBondContact O-N 3.13Å; L41-T57 HydrophobicContact CD1-CG2 4.02Å; L41-L62 PolarHBondContact N-O 3.17Å; L41-L62 VanDerWaalsContact N-O 3.12Å |
| 42 | P | 57.3 | Low | 53.9 | Low | 132 Ų | 132 | 82.3 Ų | 82.3 | 86% | 0.857 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 123.5 | 172.5 | -19.2 | 30.7 | 0 | 0 | 0 | 110.6 | ||
| 43 | G | 56.3 | Low | 54.2 | Low | 80 Ų | 80 | 78.8 Ų | 78.8 | 83% | 0.825 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -2.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L41 | L41-G43 PolarHBondContact O-N 3.35Š|
| 44 | E | 58.6 | Low | 54.5 | Low | 42 Ų | 42 | 75.9 Ų | 75.9 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | trans | -104 | 155.7 | 167.4 | -72.3 | -71 | 155 | 0 | 0 | 110 | W40 L41 S46 K63 A64 | W40-E44 HydrophobicContact CE3-CB 4.15Å; L41-E44 HydrophobicContact CB-CB 4.26Å; L41-E44 HydrophobicContact CB-CG 4.15Å; L41-E44 WeakPolarHBondContact O-CB 3.2Å; L41-E44 PolarHBondContact O-N 3.13Å; E44-S46 PolarHBondContact OE2-N 3.07Å; E44-K63 HydrophobicContact CG-CB 4.45Å; E44-K63 HydrophobicContact CG-CG 4.07Å; E44-K63 WeakPolarHBondContact OE1-CG 3.36Å; E44-A64 PolarHBondContact OE2-N 2.81Å | ||
| 45 | P | 55.5 | Low | 55.1 | Low | 40 Ų | 40 | 72.5 Ų | 72.5 | 26% | 0.26 | 42% | 0.416 | S | S | . | . | S | Bend | cis | -75.9 | 139.7 | 2.5 | 24.9 | -27.5 | 0 | 0 | 0 | 113.5 | W25 W40 A64 | W25-P45 VanDerWaalsContact CD1-CG 3.46Å; W25-P45 HydrophobicContact CD2-CG 4.33Å; W25-P45 HydrophobicContact CG-CG 4.3Å; W25-P45 HydrophobicContact CZ2-CB 3.83Å; W25-P45 HydrophobicContact CZ2-CG 4.01Å; W40-P45 HydrophobicContact CD2-CB 4.33Å; W40-P45 HydrophobicContact CD2-CG 4.32Å; W40-P45 HydrophobicContact CE3-CB 4.01Å; W40-P45 HydrophobicContact CE3-CG 4.48Å; W40-P45 HydrophobicContact CH2-CB 3.89Å; W40-P45 HydrophobicContact CH2-CG 4.46Å; W40-P45 HydrophobicContact CZ2-CB 4.25Å; W40-P45 HydrophobicContact CZ2-CG 4.33Å; W40-P45 HydrophobicContact CZ3-CB 3.8Å; P45-A64 HydrophobicContact CB-CB 3.85Å |
| 46 | S | 53.8 | Low | 55.4 | Low | 39 Ų | 39 | 76.8 Ų | 76.8 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | trans | -67 | 162.6 | 174.6 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | E44 S48 A64 | E44-S46 PolarHBondContact OE2-N 3.07Å; S46-S48 PolarHBondContact O-N 3.48Å; S46-S48 PolarHBondContact O-OG 3.4Å; S46-S48 PolarHBondContact OG-OG 2.75Å; S46-A64 PolarHBondContact OG-O 3.46Å | ||
| 47 | D | 56.8 | Low | 55.6 | Low | 138 Ų | 138 | 72.8 Ų | 72.8 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | trans | -71.6 | 40.7 | 178.3 | -84.8 | -35.9 | 0 | 0 | 0 | 113.2 | R18 G49 | R18-D47 IonicContact CZ-OD1 2.8Å; R18-D47 IonicContact NH1-OD1 2.63Å; R18-D47 PolarHBondContact NH1-OD1 3.15Å; D47-G49 PolarHBondContact O-N 2.87Å | ||
| 48 | S | 51.8 | Low | 55.7 | Low | 18 Ų | 18 | 77.7 Ų | 77.7 | 13% | 0.126 | 41% | 0.411 | C | S | . | . | trans | -69.8 | 22.3 | -168 | 1.2 | 0 | 0 | 0 | 0 | 116.2 | S46 A64 | S46-S48 PolarHBondContact O-N 3.48Å; S46-S48 PolarHBondContact O-OG 3.4Å; S46-S48 PolarHBondContact OG-OG 2.75Å; S48-A64 PolarHBondContact OG-O 2.03Å | ||
| 49 | G | 48.8 | Very low | 55.7 | Low | 42 Ų | 42 | 78 Ų | 78 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | trans | 84.1 | -164.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | D47 C51 | D47-G49 PolarHBondContact O-N 2.87Å; G49-C51 PolarHBondContact O-N 3.12Å | ||
| 50 | F | 48.6 | Very low | 55.4 | Low | 139 Ų | 139 | 73.6 Ų | 73.6 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -70.1 | -18 | -172.8 | -71.1 | -79.9 | 0 | 0 | 0 | 113.9 | L17 I20 | L17-F50 WeakPolarHBondContact CA-O 2.95Å; L17-F50 WeakPolarHBondContact CD2-O 2.97Å; I20-F50 HydrophobicContact CD1-CE1 4.09Å; I20-F50 HydrophobicContact CD1-CZ 4.35Å; I20-F50 HydrophobicContact CG1-CE1 4.1Å |
| 51 | C | 50.4 | Low | 55.2 | Low | 54 Ų | 54 | 70.7 Ų | 70.7 | 37% | 0.365 | 42% | 0.418 | S | S | . | . | trans | -139.7 | 143.1 | 176.8 | 70.1 | 0 | 0 | 0 | 0 | 109.1 | G49 C67 | G49-C51 PolarHBondContact O-N 3.12Å; C51-C67 HydrophobicContact CB-CB 4.45Å; C51-C67 WeakPolarHBondContact CB-SG 3.49Å; C51-C67 PolarHBondContact O-SG 2.98Å; C51-C67 WeakPolarHBondContact SG-CB 3.46Å; C51-C67 CovalentContact SG-SG 2.03Å; C51-C67 PolarHBondContact SG-SG 3.29Å | ||
| 52 | A | 55.8 | Low | 55.1 | Low | 6 Ų | 6 | 69.2 Ų | 69.2 | 5% | 0.05 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 166.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V15 W25 A64 N65 | V15-A52 VanDerWaalsContact CB-O 3.31Å; V15-A52 WeakPolarHBondContact CB-O 3.26Å; V15-A52 VanDerWaalsContact O-O 3.13Å; W25-A52 HydrophobicContact CH2-CB 4.41Å; W25-A52 HydrophobicContact CZ3-CB 4.15Å; A52-A64 HydrophobicContact CB-CB 4.08Å; A52-N65 WeakPolarHBondContact CA-O 3.17Å; A52-N65 WeakPolarHBondContact CB-O 3.47Å |
| 53 | F | 59.1 | Low | 55.4 | Low | 28 Ų | 28 | 66.5 Ų | 66.5 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 158 | 162.3 | 57 | -96.6 | 0 | 0 | 0 | 109 | N65 P66 A69 T71 | F53-N65 HydrophobicContact CD2-CB 4.18Å; F53-N65 HydrophobicContact CE1-CB 4.03Å; F53-N65 HydrophobicContact CE2-CB 3.31Å; F53-N65 HydrophobicContact CZ-CB 3.22Å; F53-N65 PolarHBondContact N-O 3.16Å; F53-N65 PolarHBondContact O-N 3.05Å; F53-P66 WeakPolarHBondContact CE1-O 3.31Å; F53-A69 HydrophobicContact CE1-CB 4.45Å; F53-A69 HydrophobicContact CZ-CB 4.09Å; F53-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F53-T71 HydrophobicContact CE2-CG2 3.74Å; F53-T71 WeakPolarHBondContact CE2-OG1 3.04Å; F53-T71 HydrophobicContact CZ-CG2 3.56Å; F53-T71 WeakPolarHBondContact CZ-OG1 3.37Å |
| 54 | L | 58 | Low | 55.8 | Low | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.8 | 179.7 | -73.4 | 175.3 | 0 | 0 | 0 | 110.2 | V15 W40 L62 L74 | V15-L54 HydrophobicContact CG1-CD1 4.38Å; V15-L54 HydrophobicContact CG1-CG 4.05Å; V15-L54 HydrophobicContact CG2-CB 4.44Å; V15-L54 HydrophobicContact CG2-CD1 4.13Å; V15-L54 HydrophobicContact CG2-CG 3.92Å; W40-L54 HydrophobicContact CE3-CD2 4.46Å; W40-L54 HydrophobicContact CH2-CD2 3.2Å; W40-L54 HydrophobicContact CZ2-CD2 4.04Å; W40-L54 HydrophobicContact CZ3-CD2 3.43Å; W40-L54 VanDerWaalsContact CZ3-CD2 3.43Å; L54-L62 HydrophobicContact CB-CD2 4.16Å; L54-L62 HydrophobicContact CD1-CD1 3.76Å; L54-L62 HydrophobicContact CD1-CD2 4.22Å; L54-L62 HydrophobicContact CD2-CB 4.02Å; L54-L62 HydrophobicContact CD2-CD1 3.85Å; L54-L62 HydrophobicContact CD2-CD2 4.14Å; L54-L62 HydrophobicContact CD2-CG 4.24Å; L54-L62 HydrophobicContact CG-CD1 4.38Å; L54-L62 HydrophobicContact CG-CD2 4.39Å; L54-L74 PolarHBondContact O-N 3.23Å |
| 55 | E | 61.1 | Low | 55.8 | Low | 63 Ų | 63 | 61.5 Ų | 61.5 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.8 | 170 | -173.7 | 175.7 | -154 | 0 | 0 | 109.4 | T57 K63 N65 | E55-T57 PolarHBondContact O-N 2.73Å; E55-K63 PolarHBondContact N-O 3.09Å; E55-K63 PolarHBondContact O-N 3.27Å; E55-N65 PolarHBondContact OE2-ND2 2.86Å |
| 56 | R | 57.1 | Low | 56 | Low | 185 Ų | 185 | 62 Ų | 62 | 70% | 0.698 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.1 | 170.2 | -168.4 | 177.5 | -78.3 | -178.7 | -2.3 | 108.2 | L74 | R56-L74 HydrophobicContact CB-CD1 3.71Å; R56-L74 HydrophobicContact CB-CD2 4.26Å; R56-L74 HydrophobicContact CB-CG 4.11Å; R56-L74 HydrophobicContact CG-CD1 4.5Å |
| 57 | T | 54.4 | Low | 56 | Low | 30 Ų | 30 | 63.2 Ų | 63.2 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | trans | -84.7 | 147.8 | 171.6 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | L41 E55 S59 G61 K63 | L41-T57 HydrophobicContact CD1-CG2 4.02Å; E55-T57 PolarHBondContact O-N 2.73Å; T57-S59 CarbonylContact C-O 3.59Å; T57-S59 PolarHBondContact O-N 3.43Å; T57-S59 PolarHBondContact OG1-O 2.9Å; T57-G61 PolarHBondContact OG1-O 2.58Å; T57-G61 VanDerWaalsContact OG1-O 3.05Å; T57-K63 HydrophobicContact CG2-CB 4.01Å | ||
| 58 | E | 54.6 | Low | 55.9 | Low | 212 Ų | 212 | 62.9 Ų | 62.9 | 99% | 0.991 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -61.6 | -26.9 | 177.1 | -68 | -176.3 | 160.1 | 0 | 0 | 112.6 | ||
| 59 | S | 53.3 | Low | 55.9 | Low | 74 Ų | 74 | 64 Ų | 64 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -84.3 | 126.4 | 165.2 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | T57 G61 | T57-S59 CarbonylContact C-O 3.59Å; T57-S59 PolarHBondContact O-N 3.43Å; T57-S59 PolarHBondContact OG1-O 2.9Å; S59-G61 PolarHBondContact O-N 3.15Å |
| 60 | A | 51.8 | Low | 56.1 | Low | 107 Ų | 107 | 70.6 Ų | 70.6 | 88% | 0.884 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -48 | 96.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 61 | G | 56.5 | Low | 56.3 | Low | 14 Ų | 14 | 66.1 Ų | 66.1 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 173.2 | 167 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R39 T57 S59 | R39-G61 CarbonylContact O-C 3.57Å; R39-G61 WeakPolarHBondContact O-CA 3.32Å; T57-G61 PolarHBondContact OG1-O 2.58Å; T57-G61 VanDerWaalsContact OG1-O 3.05Å; S59-G61 PolarHBondContact O-N 3.15Å |
| 62 | L | 58.5 | Low | 56.5 | Low | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.6 | 173.6 | -75 | -178.2 | 0 | 0 | 0 | 110.9 | L38 R39 W40 L41 L54 L74 | L38-L62 HydrophobicContact CB-CD1 3.67Å; L38-L62 HydrophobicContact CB-CG 4.27Å; L38-L62 HydrophobicContact CD1-CD1 4.22Å; L38-L62 HydrophobicContact CD2-CD1 4.25Å; L38-L62 HydrophobicContact CD2-CD2 4.08Å; L38-L62 HydrophobicContact CD2-CG 4.2Å; L38-L62 HydrophobicContact CG-CD1 4.26Å; R39-L62 PolarHBondContact O-N 3.2Å; W40-L62 HydrophobicContact CD2-CB 4.22Å; W40-L62 HydrophobicContact CE3-CB 3.74Å; W40-L62 HydrophobicContact CZ3-CB 4.05Å; L41-L62 PolarHBondContact N-O 3.17Å; L41-L62 VanDerWaalsContact N-O 3.12Å; L54-L62 HydrophobicContact CB-CD2 4.16Å; L54-L62 HydrophobicContact CD1-CD1 3.76Å; L54-L62 HydrophobicContact CD1-CD2 4.22Å; L54-L62 HydrophobicContact CD2-CB 4.02Å; L54-L62 HydrophobicContact CD2-CD1 3.85Å; L54-L62 HydrophobicContact CD2-CD2 4.14Å; L54-L62 HydrophobicContact CD2-CG 4.24Å; L54-L62 HydrophobicContact CG-CD1 4.38Å; L54-L62 HydrophobicContact CG-CD2 4.39Å; L62-L74 HydrophobicContact CD2-CD1 4.28Å |
| 63 | K | 62.9 | Low | 56.3 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 33% | 0.326 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.2 | 172.5 | -174.2 | 177.3 | -179.7 | -172.4 | 0 | 110.6 | E44 E55 T57 | E44-K63 HydrophobicContact CG-CB 4.45Å; E44-K63 HydrophobicContact CG-CG 4.07Å; E44-K63 WeakPolarHBondContact OE1-CG 3.36Å; E55-K63 PolarHBondContact N-O 3.09Å; E55-K63 PolarHBondContact O-N 3.27Å; T57-K63 HydrophobicContact CG2-CB 4.01Å |
| 64 | A | 64.1 | Low | 55.8 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | W40 E44 P45 S46 S48 A52 | W40-A64 HydrophobicContact CH2-CB 4.09Å; W40-A64 HydrophobicContact CZ3-CB 3.84Å; E44-A64 PolarHBondContact OE2-N 2.81Å; P45-A64 HydrophobicContact CB-CB 3.85Å; S46-A64 PolarHBondContact OG-O 3.46Å; S48-A64 PolarHBondContact OG-O 2.03Å; A52-A64 HydrophobicContact CB-CB 4.08Å |
| 65 | N | 59.7 | Low | 55.2 | Low | 18 Ų | 18 | 77.6 Ų | 77.6 | 10% | 0.096 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.4 | 176.2 | -76.9 | -23.8 | 0 | 0 | 0 | 110.6 | A52 F53 E55 | A52-N65 WeakPolarHBondContact CA-O 3.17Å; A52-N65 WeakPolarHBondContact CB-O 3.47Å; F53-N65 HydrophobicContact CD2-CB 4.18Å; F53-N65 HydrophobicContact CE1-CB 4.03Å; F53-N65 HydrophobicContact CE2-CB 3.31Å; F53-N65 HydrophobicContact CZ-CB 3.22Å; F53-N65 PolarHBondContact N-O 3.16Å; F53-N65 PolarHBondContact O-N 3.05Å; E55-N65 PolarHBondContact OE2-ND2 2.86Å |
| 66 | P | 58.5 | Low | 54.3 | Low | 49 Ų | 49 | 76.6 Ų | 76.6 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144.1 | 179.1 | 28.3 | -33.7 | 0 | 0 | 0 | 110.8 | F53 T68 A69 | F53-P66 WeakPolarHBondContact CE1-O 3.31Å; P66-T68 PolarHBondContact O-N 2.9Å; P66-A69 HydrophobicContact CG-CB 4.39Å; P66-A69 WeakPolarHBondContact O-CB 3.43Å; P66-A69 PolarHBondContact O-N 3.18Å |
| 67 | C | 54.7 | Low | 53.4 | Low | 65 Ų | 65 | 76.2 Ų | 76.2 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -7.2 | -178.9 | -65.8 | 0 | 0 | 0 | 0 | 116.2 | C51 | C51-C67 HydrophobicContact CB-CB 4.45Å; C51-C67 WeakPolarHBondContact CB-SG 3.49Å; C51-C67 PolarHBondContact O-SG 2.98Å; C51-C67 WeakPolarHBondContact SG-CB 3.46Å; C51-C67 CovalentContact SG-SG 2.03Å; C51-C67 PolarHBondContact SG-SG 3.29Å |
| 68 | T | 55.3 | Low | 52.7 | Low | 132 Ų | 132 | 82.4 Ų | 82.4 | 81% | 0.81 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7.7 | 178 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | P66 | P66-T68 PolarHBondContact O-N 2.9Š|
| 69 | A | 51 | Low | 51.8 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 34% | 0.339 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -83.3 | 137.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F53 P66 T71 | F53-A69 HydrophobicContact CE1-CB 4.45Å; F53-A69 HydrophobicContact CZ-CB 4.09Å; P66-A69 HydrophobicContact CG-CB 4.39Å; P66-A69 WeakPolarHBondContact O-CB 3.43Å; P66-A69 PolarHBondContact O-N 3.18Å; A69-T71 HydrophobicContact CB-CG2 4.09Å; A69-T71 PolarHBondContact O-N 3.04Å |
| 70 | I | 52.9 | Low | 51.3 | Low | 180 Ų | 180 | 78 Ų | 78 | 92% | 0.923 | 47% | 0.471 | S | S | * | . | trans | -80.1 | 107.8 | 173.8 | -54.3 | 170.7 | 0 | 0 | 0 | 107.5 | ||||
| 71 | T | 52.5 | Low | 50.7 | Low | 45 Ų | 45 | 75.9 Ų | 75.9 | 28% | 0.276 | 46% | 0.461 | S | S | . | . | trans | -152.2 | 157.8 | -178.4 | 62.6 | 0 | 0 | 0 | 0 | 111 | F53 A69 G73 | F53-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F53-T71 HydrophobicContact CE2-CG2 3.74Å; F53-T71 WeakPolarHBondContact CE2-OG1 3.04Å; F53-T71 HydrophobicContact CZ-CG2 3.56Å; F53-T71 WeakPolarHBondContact CZ-OG1 3.37Å; A69-T71 HydrophobicContact CB-CG2 4.09Å; A69-T71 PolarHBondContact O-N 3.04Å; T71-G73 PolarHBondContact O-N 2.82Å; T71-G73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | D | 54.5 | Low | 49.5 | Very low | 160 Ų | 160 | 80.1 Ų | 80.1 | 86% | 0.856 | 49% | 0.488 | S | S | * | . | trans | -81.6 | 82.5 | 168.4 | -64.8 | -39.8 | 0 | 0 | 0 | 110.4 | ||||
| 73 | G | 51.7 | Low | 48.7 | Very low | 32 Ų | 32 | 88.2 Ų | 88.2 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | trans | -66.2 | 139.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T71 I75 | T71-G73 PolarHBondContact O-N 2.82Å; T71-G73 VanDerWaalsContact O-N 3.08Å; G73-I75 PolarHBondContact O-N 3.02Å | ||
| 74 | L | 49.3 | Very low | 47.7 | Very low | 55 Ų | 55 | 93.2 Ų | 93.2 | 29% | 0.288 | 56% | 0.555 | S | S | . | * | trans | -69.9 | 124.4 | 174.2 | -74.9 | 175.8 | 0 | 0 | 0 | 110.9 | L54 R56 L62 | L54-L74 PolarHBondContact O-N 3.23Å; R56-L74 HydrophobicContact CB-CD1 3.71Å; R56-L74 HydrophobicContact CB-CD2 4.26Å; R56-L74 HydrophobicContact CB-CG 4.11Å; R56-L74 HydrophobicContact CG-CD1 4.5Å; L62-L74 HydrophobicContact CD2-CD1 4.28Å | ||
| 75 | I | 44.3 | Very low | 46.3 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 43% | 0.426 | 58% | 0.583 | S | S | . | * | trans | -88 | 114.4 | 171.1 | -49.2 | -179.8 | 0 | 0 | 0 | 107.7 | L11 G73 | L11-I75 HydrophobicContact CB-CD1 3.85Å; L11-I75 HydrophobicContact CB-CG2 4.18Å; L11-I75 HydrophobicContact CD1-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CB 4.33Å; L11-I75 HydrophobicContact CD2-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CG2 3.59Å; L11-I75 HydrophobicContact CG-CD1 4.36Å; L11-I75 HydrophobicContact CG-CG2 4.48Å; G73-I75 PolarHBondContact O-N 3.02Å | ||
| 76 | C | 42.8 | Very low | 45.4 | Very low | 42 Ų | 42 | 105.1 Ų | 105.1 | 28% | 0.284 | 62% | 0.619 | S | S | . | * | trans | -82.6 | 126.8 | 174.7 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | W27 K78 | W27-C76 HydrophobicContact CH2-CB 3.26Å; W27-C76 HydrophobicContact CZ2-CB 3.95Å; W27-C76 HydrophobicContact CZ3-CB 4.15Å; C76-K78 PolarHBondContact O-N 3.15Å | ||
| 77 | E | 37.6 | Very low | 44.5 | Very low | 177 Ų | 177 | 109.4 Ų | 109.4 | 83% | 0.827 | 64% | 0.64 | S | S | * | * | trans | -77 | 108.3 | 178.4 | -157.5 | 174.3 | -160.2 | 0 | 0 | 109.5 | A79 | E77-A79 PolarHBondContact O-N 3.13Š| ||
| 78 | K | 39.9 | Very low | 43.6 | Very low | 161 Ų | 161 | 110.5 Ų | 110.5 | 70% | 0.7 | 65% | 0.653 | S | S | * | * | trans | -73.5 | 114.4 | 164.3 | -176.9 | 169.6 | -177.8 | 163.2 | 0 | 106.6 | D29 C76 A80 | D29-K78 IonicContact OD2-NZ 3.09Å; D29-K78 PolarHBondContact OD2-NZ 3.09Å; D29-K78 VanDerWaalsContact OD2-NZ 3.09Å; C76-K78 PolarHBondContact O-N 3.15Å; K78-A80 PolarHBondContact O-N 3.23Å | ||
| 79 | A | 37 | Very low | 43.1 | Very low | 87 Ų | 87 | 114.9 Ų | 114.9 | 72% | 0.719 | 66% | 0.655 | S | S | * | * | trans | -59 | 102.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108.9 | E77 G81 | E77-A79 PolarHBondContact O-N 3.13Å; A79-G81 PolarHBondContact O-N 3.34Å | ||
| 80 | A | 42.2 | Very low | 42.9 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 87% | 0.868 | 68% | 0.675 | S | S | * | * | trans | -71.9 | 75.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | K78 | K78-A80 PolarHBondContact O-N 3.23Š| ||
| 81 | G | 38.8 | Very low | 42.6 | Very low | 64 Ų | 64 | 116 Ų | 116 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | trans | 176.7 | 72.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A79 | A79-G81 PolarHBondContact O-N 3.34Š| ||
| 82 | S | 31.7 | Very low | 42.9 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | trans | -147.6 | 103.3 | 133.5 | 58.2 | 0 | 0 | 0 | 0 | 109 | Q84 | S82-Q84 PolarHBondContact O-N 3.08Š| ||
| 83 | L | 41.6 | Very low | 43.4 | Very low | 178 Ų | 178 | 116.7 Ų | 116.7 | 93% | 0.932 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 80.7 | 157.1 | -85.8 | 126.6 | 0 | 0 | 0 | 107.9 | ||
| 84 | Q | 41.1 | Very low | 44.5 | Very low | 180 Ų | 180 | 118.9 Ų | 118.9 | 84% | 0.841 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.7 | 22.3 | 160.2 | -103.6 | 165 | 54 | 0 | 0 | 113.9 | S82 Q86 | S82-Q84 PolarHBondContact O-N 3.08Å; Q84-Q86 PolarHBondContact O-N 2.73Å; Q84-Q86 VanDerWaalsContact O-N 3.14Å |
| 85 | S | 34.8 | Very low | 45.9 | Very low | 86 Ų | 86 | 116.6 Ų | 116.6 | 60% | 0.601 | 67% | 0.668 | S | S | * | * | trans | -80.7 | 90.9 | 160.1 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | N87 A88 | S85-N87 PolarHBondContact O-N 3.32Å; S85-A88 PolarHBondContact O-N 2.76Å | ||
| 86 | Q | 40.4 | Very low | 47.4 | Very low | 182 Ų | 182 | 116.5 Ų | 116.5 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 26.4 | 166.1 | -79.4 | -78.1 | -13.7 | 0 | 0 | 113 | Q84 | Q84-Q86 PolarHBondContact O-N 2.73Å; Q84-Q86 VanDerWaalsContact O-N 3.14Å |
| 87 | N | 39.7 | Very low | 49 | Very low | 140 Ų | 140 | 120.3 Ų | 120.3 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 33.8 | 176.8 | -88.8 | -30.5 | 0 | 0 | 0 | 112.3 | S85 R89 | S85-N87 PolarHBondContact O-N 3.32Å; N87-R89 PolarHBondContact O-N 3.24Å |
| 88 | A | 36.1 | Very low | 51 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 72% | 0.719 | 66% | 0.662 | S | S | * | * | trans | -65 | 92.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S85 P90 | S85-A88 PolarHBondContact O-N 2.76Å; A88-P90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | R | 46.1 | Very low | 52.8 | Low | 225 Ų | 225 | 111.3 Ų | 111.3 | 85% | 0.849 | 66% | 0.664 | S | S | * | * | trans | -55 | 124.1 | 167 | -73.9 | -176.3 | 178.1 | -176 | -0.6 | 106.2 | N87 C91 | N87-R89 PolarHBondContact O-N 3.24Å; R89-C91 PolarHBondContact O-N 2.82Å | ||
| 90 | P | 45 | Very low | 54.7 | Low | 116 Ų | 116 | 109.2 Ų | 109.2 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -55 | 141.6 | 177.3 | 22.1 | -31.4 | 0 | 0 | 0 | 108.5 | A88 K92 | A88-P90 VanDerWaalsContact O-N 3.16Å; P90-K92 PolarHBondContact O-N 3.15Å; P90-K92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | C | 46.6 | Very low | 56.5 | Low | 127 Ų | 127 | 105.2 Ų | 105.2 | 86% | 0.858 | 61% | 0.609 | S | S | * | * | trans | -44.8 | 125.5 | 173.9 | -65.4 | 0 | 0 | 0 | 0 | 108.6 | R89 T93 | R89-C91 PolarHBondContact O-N 2.82Å; C91-T93 PolarHBondContact O-N 2.99Å | ||
| 92 | K | 59.8 | Low | 58.4 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.3 | -179.3 | -71.4 | -172.1 | -178.2 | -172.8 | 0 | 108.8 | P90 P94 E110 | P90-K92 PolarHBondContact O-N 3.15Å; P90-K92 VanDerWaalsContact O-N 3.13Å; K92-P94 WeakPolarHBondContact O-CD 3.29Å; K92-E110 WeakPolarHBondContact CD-OE1 2.95Å; K92-E110 IonicContact NZ-OE1 2.68Å; K92-E110 PolarHBondContact NZ-OE1 2.95Å; K92-E110 IonicContact NZ-OE2 3.87Å; K92-E110 PolarHBondContact NZ-OE2 2.84Å |
| 93 | T | 64.6 | Low | 60.6 | Low | 86 Ų | 86 | 105 Ų | 105 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 121.1 | 176.3 | -50 | 0 | 0 | 0 | 0 | 109.1 | C91 L97 | C91-T93 PolarHBondContact O-N 2.99Å; T93-L97 HydrophobicContact CG2-CB 4.06Å; T93-L97 HydrophobicContact CG2-CD1 3.93Å |
| 94 | P | 74.5 | Confident | 62.4 | Low | 77 Ų | 77 | 96.6 Ų | 96.6 | 50% | 0.5 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 143.1 | -177 | 21.4 | -32.1 | 0 | 0 | 0 | 111.4 | K92 A96 L97 | K92-P94 WeakPolarHBondContact O-CD 3.29Å; P94-A96 PolarHBondContact O-N 3.41Å; P94-A96 VanDerWaalsContact O-N 3.09Å; P94-L97 HydrophobicContact CG-CD1 3.67Å; P94-L97 HydrophobicContact CG-CG 4Å; P94-L97 PolarHBondContact O-N 3.31Å |
| 95 | C | 78.7 | Confident | 64.1 | Low | 7 Ų | 7 | 88.9 Ų | 88.9 | 5% | 0.047 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -53.6 | -34 | -177.6 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | L97 R98 C111 C120 | C95-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact O-N 3.15Å; C95-R98 VanDerWaalsContact O-CB 3.3Å; C95-R98 WeakPolarHBondContact O-CB 3.48Å; C95-R98 PolarHBondContact O-N 2.75Å; C95-C111 HydrophobicContact CB-CB 3.7Å; C95-C111 WeakPolarHBondContact CB-SG 3.07Å; C95-C111 VanDerWaalsContact SG-CA 3.56Å; C95-C111 WeakPolarHBondContact SG-CB 3.3Å; C95-C111 CovalentContact SG-SG 2.02Å; C95-C111 PolarHBondContact SG-SG 3.09Å; C95-C120 CarbonylContact C-O 3.48Å; C95-C120 VanDerWaalsContact O-CB 3.25Å; C95-C120 WeakPolarHBondContact O-CB 3.38Å; C95-C120 PolarHBondContact O-SG 2.94Å; C95-C120 VanDerWaalsContact O-SG 3.39Å |
| 96 | A | 76.3 | Confident | 65.8 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -60 | -23.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P94 R98 C120 | P94-A96 PolarHBondContact O-N 3.41Å; P94-A96 VanDerWaalsContact O-N 3.09Å; A96-R98 VanDerWaalsContact C-N 3.28Å; A96-C120 WeakPolarHBondContact CA-O 3.48Å |
| 97 | L | 76.1 | Confident | 66.9 | Low | 121 Ų | 121 | 83.8 Ų | 83.8 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -82.8 | -6.6 | 176.7 | -66.5 | 175.7 | 0 | 0 | 0 | 112.8 | T93 P94 C95 T99 | T93-L97 HydrophobicContact CG2-CB 4.06Å; T93-L97 HydrophobicContact CG2-CD1 3.93Å; P94-L97 HydrophobicContact CG-CD1 3.67Å; P94-L97 HydrophobicContact CG-CG 4Å; P94-L97 PolarHBondContact O-N 3.31Å; C95-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact O-N 3.15Å; L97-T99 PolarHBondContact O-N 2.56Å |
| 98 | R | 80.1 | Confident | 67.8 | Low | 30 Ų | 30 | 80 Ų | 80 | 11% | 0.113 | 48% | 0.479 | C | S | . | . | trans | -90 | 100.7 | 178.9 | -54.5 | 177.8 | 179.6 | -161.9 | 9.8 | 108.7 | C95 A96 N103 C104 S106 C120 | C95-R98 VanDerWaalsContact O-CB 3.3Å; C95-R98 WeakPolarHBondContact O-CB 3.48Å; C95-R98 PolarHBondContact O-N 2.75Å; A96-R98 VanDerWaalsContact C-N 3.28Å; R98-N103 HydrophobicContact CB-CB 4.42Å; R98-N103 WeakPolarHBondContact CD-O 3.05Å; R98-N103 PolarHBondContact NH1-O 2.02Å; R98-N103 VanDerWaalsContact NH1-O 3.09Å; R98-C104 HydrophobicContact CB-CB 4.48Å; R98-S106 PolarHBondContact NH1-OG 2.89Å; R98-C120 HydrophobicContact CB-CB 4.03Å; R98-C120 WeakPolarHBondContact O-CB 3.25Å | ||
| 99 | T | 77.3 | Confident | 68.8 | Low | 119 Ų | 119 | 82.8 Ų | 82.8 | 73% | 0.73 | 48% | 0.479 | S | S | * | . | trans | -88.5 | 1.3 | -173.9 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | L97 W113 | L97-T99 PolarHBondContact O-N 2.56Å; T99-W113 WeakPolarHBondContact O-CH2 3.05Å | ||
| 100 | S | 78.1 | Confident | 70 | Confident | 44 Ų | 44 | 75 Ų | 75 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -131.8 | 142.4 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | A102 N103 C104 | S100-A102 VanDerWaalsContact C-N 3.34Å; S100-A102 PolarHBondContact O-N 2.8Å; S100-N103 PolarHBondContact O-N 2.72Å; S100-N103 VanDerWaalsContact O-N 3.11Å; S100-N103 VanDerWaalsContact OG-CB 3.32Å; S100-N103 WeakPolarHBondContact OG-CB 3.2Å; S100-N103 PolarHBondContact OG-ND2 2.68Å; S100-N103 VanDerWaalsContact OG-ND2 3.15Å; S100-C104 PolarHBondContact O-N 2.63Å |
| 101 | C | 78.6 | Confident | 71.7 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 14% | 0.135 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -50.8 | -49.8 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 112.9 | N103 C104 T105 W113 C143 | C101-N103 VanDerWaalsContact C-N 3.32Å; C101-N103 PolarHBondContact O-N 3.03Å; C101-C104 WeakPolarHBondContact O-CA 3.33Å; C101-C104 WeakPolarHBondContact O-CB 3.18Å; C101-C104 PolarHBondContact O-N 3.46Å; C101-T105 PolarHBondContact O-N 3.46Å; C101-T105 PolarHBondContact O-OG1 3.07Å; C101-T105 VanDerWaalsContact O-OG1 3.11Å; C101-W113 HydrophobicContact CB-CD2 3.84Å; C101-W113 HydrophobicContact CB-CG 3.79Å; C101-W113 HydrophobicContact CB-CZ2 4.27Å; C101-C143 HydrophobicContact CB-CB 3.83Å; C101-C143 WeakPolarHBondContact CB-SG 3.39Å; C101-C143 WeakPolarHBondContact SG-CB 3.42Å; C101-C143 CovalentContact SG-SG 2.02Å; C101-C143 PolarHBondContact SG-SG 3.17Å |
| 102 | A | 78.8 | Confident | 73.3 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.5 | -38.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S100 S106 | S100-A102 VanDerWaalsContact C-N 3.34Å; S100-A102 PolarHBondContact O-N 2.8Å; A102-S106 PolarHBondContact O-N 3.02Å |
| 103 | N | 78.6 | Confident | 74.5 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.2 | -33.7 | 174.7 | -76.1 | -29.7 | 0 | 0 | 0 | 112 | R98 S100 C101 S106 | R98-N103 HydrophobicContact CB-CB 4.42Å; R98-N103 WeakPolarHBondContact CD-O 3.05Å; R98-N103 PolarHBondContact NH1-O 2.02Å; R98-N103 VanDerWaalsContact NH1-O 3.09Å; S100-N103 PolarHBondContact O-N 2.72Å; S100-N103 VanDerWaalsContact O-N 3.11Å; S100-N103 VanDerWaalsContact OG-CB 3.32Å; S100-N103 WeakPolarHBondContact OG-CB 3.2Å; S100-N103 PolarHBondContact OG-ND2 2.68Å; S100-N103 VanDerWaalsContact OG-ND2 3.15Å; C101-N103 VanDerWaalsContact C-N 3.32Å; C101-N103 PolarHBondContact O-N 3.03Å; N103-S106 PolarHBondContact O-OG 3.34Å |
| 104 | C | 79.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 177.6 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | R98 S100 C101 S106 C111 W113 C120 | R98-C104 HydrophobicContact CB-CB 4.48Å; S100-C104 PolarHBondContact O-N 2.63Å; C101-C104 WeakPolarHBondContact O-CA 3.33Å; C101-C104 WeakPolarHBondContact O-CB 3.18Å; C101-C104 PolarHBondContact O-N 3.46Å; C104-S106 VanDerWaalsContact C-N 3.34Å; C104-S106 PolarHBondContact O-N 3.43Å; C104-C111 WeakPolarHBondContact O-CB 2.96Å; C104-W113 HydrophobicContact CB-CB 4.01Å; C104-W113 HydrophobicContact CB-CD2 4.43Å; C104-W113 HydrophobicContact CB-CE3 3.82Å; C104-W113 PolarHBondContact SG-N 3.22Å; C104-C120 VanDerWaalsContact CA-SG 3.51Å; C104-C120 HydrophobicContact CB-CB 3.65Å; C104-C120 WeakPolarHBondContact CB-SG 3.15Å; C104-C120 VanDerWaalsContact SG-CA 3.56Å; C104-C120 WeakPolarHBondContact SG-CB 3.17Å; C104-C120 CovalentContact SG-SG 2.02Å; C104-C120 PolarHBondContact SG-SG 2.86Å |
| 105 | T | 77.6 | Confident | 75.4 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 2 | -176.9 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | C101 Q107 W113 | C101-T105 PolarHBondContact O-N 3.46Å; C101-T105 PolarHBondContact O-OG1 3.07Å; C101-T105 VanDerWaalsContact O-OG1 3.11Å; T105-Q107 PolarHBondContact O-N 3.36Å; T105-W113 HydrophobicContact CG2-CB 4.37Å |
| 106 | S | 69.3 | Low | 75.2 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.9 | -179.4 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | R98 A102 N103 C104 | R98-S106 PolarHBondContact NH1-OG 2.89Å; A102-S106 PolarHBondContact O-N 3.02Å; N103-S106 PolarHBondContact O-OG 3.34Å; C104-S106 VanDerWaalsContact C-N 3.34Å; C104-S106 PolarHBondContact O-N 3.43Å |
| 107 | Q | 64.9 | Low | 75.2 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -120.6 | 98 | 173.2 | -74.1 | 171.5 | -17.6 | 0 | 0 | 107.9 | T105 M109 E110 | T105-Q107 PolarHBondContact O-N 3.36Å; Q107-M109 PolarHBondContact O-N 2.94Å; Q107-E110 PolarHBondContact O-N 3.35Å |
| 108 | A | 57.4 | Low | 75.3 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 129.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E110 Q141 | A108-E110 PolarHBondContact O-N 3.3Å; A108-Q141 HydrophobicContact CB-CG 4.36Å |
| 109 | M | 57.7 | Low | 75.2 | Confident | 144 Ų | 144 | 58.1 Ų | 58.1 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -4.8 | 174.2 | -48.5 | -146.5 | -73.5 | 0 | 0 | 118.4 | Q107 S123 | Q107-M109 PolarHBondContact O-N 2.94Å; M109-S123 PolarHBondContact O-OG 3.01Å |
| 110 | E | 71.6 | Confident | 75.6 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -38 | 175.5 | -163.3 | 163.5 | -168.2 | 0 | 0 | 111.9 | K92 Q107 A108 S123 | K92-E110 WeakPolarHBondContact CD-OE1 2.95Å; K92-E110 IonicContact NZ-OE1 2.68Å; K92-E110 PolarHBondContact NZ-OE1 2.95Å; K92-E110 IonicContact NZ-OE2 3.87Å; K92-E110 PolarHBondContact NZ-OE2 2.84Å; Q107-E110 PolarHBondContact O-N 3.35Å; A108-E110 PolarHBondContact O-N 3.3Å; E110-S123 PolarHBondContact O-N 3.11Å; E110-S123 VanDerWaalsContact O-N 3.12Å; E110-S123 PolarHBondContact O-OG 3.29Å |
| 111 | C | 79.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.2 | 177.6 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | C95 C104 C120 V121 | C95-C111 HydrophobicContact CB-CB 3.7Å; C95-C111 WeakPolarHBondContact CB-SG 3.07Å; C95-C111 VanDerWaalsContact SG-CA 3.56Å; C95-C111 WeakPolarHBondContact SG-CB 3.3Å; C95-C111 CovalentContact SG-SG 2.02Å; C95-C111 PolarHBondContact SG-SG 3.09Å; C104-C111 WeakPolarHBondContact O-CB 2.96Å; C111-C120 VanDerWaalsContact CB-SG 3.55Å; C111-V121 CarbonylContact C-O 3.58Å; C111-V121 WeakPolarHBondContact CA-O 2.99Å |
| 112 | M | 80 | Confident | 75.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.2 | 177.7 | -53.4 | -165 | -60.7 | 0 | 0 | 110 | C120 V121 Y126 W138 T140 | M112-C120 WeakPolarHBondContact O-CA 3.36Å; M112-V121 HydrophobicContact CB-CG2 4.38Å; M112-V121 PolarHBondContact N-O 3.21Å; M112-V121 PolarHBondContact O-N 3.31Å; M112-Y126 HydrophobicContact CE-CD1 4.31Å; M112-Y126 HydrophobicContact CE-CD2 3.49Å; M112-Y126 VanDerWaalsContact CE-CD2 3.49Å; M112-Y126 HydrophobicContact CE-CE2 4.45Å; M112-Y126 HydrophobicContact CE-CG 3.4Å; M112-Y126 VanDerWaalsContact CE-CG 3.4Å; M112-W138 HydrophobicContact CB-CE3 4.43Å; M112-W138 HydrophobicContact CG-CE3 4.38Å; M112-W138 HydrophobicContact SD-CD2 4.14Å; M112-W138 HydrophobicContact SD-CE3 3.83Å; M112-W138 HydrophobicContact SD-CH2 4.4Å; M112-W138 HydrophobicContact SD-CZ3 3.99Å; M112-T140 HydrophobicContact CB-CG2 4.34Å; M112-T140 HydrophobicContact CG-CG2 3.73Å; M112-T140 HydrophobicContact SD-CG2 4.29Å |
| 113 | W | 85.8 | Confident | 75.6 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.9 | 178.4 | 178.3 | -105.7 | 0 | 0 | 0 | 110.7 | T99 C101 C104 T105 Q118 C120 W138 Q139 | T99-W113 WeakPolarHBondContact O-CH2 3.05Å; C101-W113 HydrophobicContact CB-CD2 3.84Å; C101-W113 HydrophobicContact CB-CG 3.79Å; C101-W113 HydrophobicContact CB-CZ2 4.27Å; C104-W113 HydrophobicContact CB-CB 4.01Å; C104-W113 HydrophobicContact CB-CD2 4.43Å; C104-W113 HydrophobicContact CB-CE3 3.82Å; C104-W113 PolarHBondContact SG-N 3.22Å; T105-W113 HydrophobicContact CG2-CB 4.37Å; W113-Q118 HydrophobicContact CH2-CB 4.17Å; W113-Q118 VanDerWaalsContact CH2-O 3.26Å; W113-Q118 WeakPolarHBondContact CH2-O 3.38Å; W113-Q118 HydrophobicContact CZ2-CB 4.09Å; W113-C120 HydrophobicContact CE3-CB 3.83Å; W113-C120 HydrophobicContact CZ3-CB 4.14Å; W113-W138 CarbonylContact O-C 3.55Å; W113-W138 WeakPolarHBondContact O-CA 3.45Å; W113-Q139 PolarHBondContact N-O 3.37Å; W113-Q139 PolarHBondContact O-N 3.35Å |
| 114 | C | 81.7 | Confident | 75.3 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.9 | 170.7 | -172 | 0 | 0 | 0 | 0 | 110.9 | S116 T117 Q118 R119 F130 C135 | C114-S116 PolarHBondContact O-N 3.23Å; C114-S116 PolarHBondContact SG-OG 2.79Å; C114-T117 WeakPolarHBondContact CB-OG1 3.26Å; C114-T117 PolarHBondContact SG-OG1 2.92Å; C114-Q118 WeakPolarHBondContact O-CA 3.32Å; C114-Q118 PolarHBondContact O-N 2.02Å; C114-R119 PolarHBondContact N-O 3.14Å; C114-R119 PolarHBondContact O-N 2.92Å; C114-F130 HydrophobicContact CB-CE1 4.31Å; C114-F130 HydrophobicContact CB-CE2 3.87Å; C114-F130 HydrophobicContact CB-CZ 3.52Å; C114-C135 VanDerWaalsContact CA-SG 3.53Å; C114-C135 HydrophobicContact CB-CB 4.05Å; C114-C135 WeakPolarHBondContact CB-SG 3.37Å; C114-C135 WeakPolarHBondContact SG-CA 3.4Å; C114-C135 WeakPolarHBondContact SG-CB 3.34Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.17Å |
| 115 | G | 76.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -38 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T117 Q118 | G115-T117 PolarHBondContact O-N 3.47Å; G115-Q118 PolarHBondContact O-NE2 3.48Å |
| 116 | S | 75.1 | Confident | 74.8 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.1 | -177.3 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | C114 M136 | C114-S116 PolarHBondContact O-N 3.23Å; C114-S116 PolarHBondContact SG-OG 2.79Å; S116-M136 PolarHBondContact OG-N 3.29Å |
| 117 | T | 75.7 | Confident | 74.8 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -3 | 179.7 | 61 | 0 | 0 | 0 | 0 | 113.4 | C114 G115 R119 F130 | C114-T117 WeakPolarHBondContact CB-OG1 3.26Å; C114-T117 PolarHBondContact SG-OG1 2.92Å; G115-T117 PolarHBondContact O-N 3.47Å; T117-R119 VanDerWaalsContact C-N 3.26Å; T117-R119 PolarHBondContact O-N 2.78Å; T117-F130 HydrophobicContact CG2-CD1 4.44Å; T117-F130 HydrophobicContact CG2-CE1 3.87Å; T117-F130 WeakPolarHBondContact OG1-CE1 3.33Å; T117-F130 WeakPolarHBondContact OG1-CZ 3.48Å |
| 118 | Q | 78.5 | Confident | 74.9 | Confident | 126 Ų | 126 | 60.3 Ų | 60.3 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.7 | -176.1 | -62 | -74 | -60.2 | 0 | 0 | 112.7 | W113 C114 G115 | W113-Q118 HydrophobicContact CH2-CB 4.17Å; W113-Q118 VanDerWaalsContact CH2-O 3.26Å; W113-Q118 WeakPolarHBondContact CH2-O 3.38Å; W113-Q118 HydrophobicContact CZ2-CB 4.09Å; C114-Q118 WeakPolarHBondContact O-CA 3.32Å; C114-Q118 PolarHBondContact O-N 2.02Å; G115-Q118 PolarHBondContact O-NE2 3.48Å |
| 119 | R | 78.3 | Confident | 75.5 | Confident | 164 Ų | 164 | 59.7 Ų | 59.7 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.7 | -178.1 | -73.7 | 179.2 | -176.4 | 176.8 | 1.3 | 111.5 | C114 T117 F130 | C114-R119 PolarHBondContact N-O 3.14Å; C114-R119 PolarHBondContact O-N 2.92Å; T117-R119 VanDerWaalsContact C-N 3.26Å; T117-R119 PolarHBondContact O-N 2.78Å; R119-F130 HydrophobicContact CB-CZ 4.26Å |
| 120 | C | 83.9 | Confident | 76.2 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.7 | 170.8 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | C95 A96 R98 C104 C111 M112 W113 | C95-C120 CarbonylContact C-O 3.48Å; C95-C120 VanDerWaalsContact O-CB 3.25Å; C95-C120 WeakPolarHBondContact O-CB 3.38Å; C95-C120 PolarHBondContact O-SG 2.94Å; C95-C120 VanDerWaalsContact O-SG 3.39Å; A96-C120 WeakPolarHBondContact CA-O 3.48Å; R98-C120 HydrophobicContact CB-CB 4.03Å; R98-C120 WeakPolarHBondContact O-CB 3.25Å; C104-C120 VanDerWaalsContact CA-SG 3.51Å; C104-C120 HydrophobicContact CB-CB 3.65Å; C104-C120 WeakPolarHBondContact CB-SG 3.15Å; C104-C120 VanDerWaalsContact SG-CA 3.56Å; C104-C120 WeakPolarHBondContact SG-CB 3.17Å; C104-C120 CovalentContact SG-SG 2.02Å; C104-C120 PolarHBondContact SG-SG 2.86Å; C111-C120 VanDerWaalsContact CB-SG 3.55Å; M112-C120 WeakPolarHBondContact O-CA 3.36Å; W113-C120 HydrophobicContact CE3-CB 3.83Å; W113-C120 HydrophobicContact CZ3-CB 4.14Å |
| 121 | V | 81.8 | Confident | 75.5 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.1 | -179.7 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | C111 M112 Y126 F130 | C111-V121 CarbonylContact C-O 3.58Å; C111-V121 WeakPolarHBondContact CA-O 2.99Å; M112-V121 HydrophobicContact CB-CG2 4.38Å; M112-V121 PolarHBondContact N-O 3.21Å; M112-V121 PolarHBondContact O-N 3.31Å; V121-Y126 HydrophobicContact CG2-CD2 3.95Å; V121-F130 HydrophobicContact CB-CE2 4.31Å; V121-F130 HydrophobicContact CG1-CE2 3.62Å; V121-F130 HydrophobicContact CG1-CZ 3.91Å; V121-F130 HydrophobicContact CG2-CD2 4.33Å; V121-F130 HydrophobicContact CG2-CE2 3.69Å |
| 122 | D | 78.6 | Confident | 74.6 | Confident | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 142.4 | 172.8 | -167.3 | -79.8 | 0 | 0 | 0 | 110.1 | S124 A125 Y126 | D122-S124 PolarHBondContact O-N 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.49Å; D122-S124 PolarHBondContact OD1-OG 3.12Å; D122-A125 HydrophobicContact CB-CB 4.01Å; D122-A125 PolarHBondContact O-N 3.27Å; D122-Y126 PolarHBondContact O-N 3.46Å |
| 123 | S | 75.4 | Confident | 73.9 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -59.7 | -33.6 | -179.7 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | M109 E110 A125 | M109-S123 PolarHBondContact O-OG 3.01Å; E110-S123 PolarHBondContact O-N 3.11Å; E110-S123 VanDerWaalsContact O-N 3.12Å; E110-S123 PolarHBondContact O-OG 3.29Å; S123-A125 VanDerWaalsContact C-N 3.34Å |
| 124 | S | 73.7 | Confident | 73 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -75.5 | -18.9 | 176.1 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | D122 | D122-S124 PolarHBondContact O-N 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.49Å; D122-S124 PolarHBondContact OD1-OG 3.12Å |
| 125 | A | 74.3 | Confident | 72.7 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -106.1 | 1.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | D122 S123 V127 I128 S129 | D122-A125 HydrophobicContact CB-CB 4.01Å; D122-A125 PolarHBondContact O-N 3.27Å; S123-A125 VanDerWaalsContact C-N 3.34Å; A125-V127 PolarHBondContact O-N 3.24Å; A125-I128 PolarHBondContact O-N 3.39Å; A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 2.98Å; A125-S129 PolarHBondContact O-N 3.48Å; A125-S129 PolarHBondContact O-OG 3.25Å |
| 126 | Y | 70.7 | Confident | 72.3 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 18% | 0.18 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | -174.5 | 175.4 | -94 | 0 | 0 | 0 | 114.1 | M112 V121 D122 I128 S129 F130 C135 W138 | M112-Y126 HydrophobicContact CE-CD1 4.31Å; M112-Y126 HydrophobicContact CE-CD2 3.49Å; M112-Y126 VanDerWaalsContact CE-CD2 3.49Å; M112-Y126 HydrophobicContact CE-CE2 4.45Å; M112-Y126 HydrophobicContact CE-CG 3.4Å; M112-Y126 VanDerWaalsContact CE-CG 3.4Å; V121-Y126 HydrophobicContact CG2-CD2 3.95Å; D122-Y126 PolarHBondContact O-N 3.46Å; Y126-I128 PolarHBondContact O-N 3.23Å; Y126-S129 PolarHBondContact O-N 3.17Å; Y126-S129 VanDerWaalsContact O-N 3.14Å; Y126-F130 AromaticContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CE2 4.05Å; Y126-F130 AromaticContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CE2 4.07Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.39Å; Y126-F130 PolarHBondContact O-N 3.3Å; Y126-C135 HydrophobicContact CE2-CB 4Å; Y126-W138 HydrophobicContact CE2-CB 4.16Å; Y126-W138 AromaticContact CE2-CD1 3.79Å; Y126-W138 HydrophobicContact CE2-CG 4.12Å; Y126-W138 AromaticContact CZ-CD1 3.64Å |
| 127 | V | 70.3 | Confident | 72.2 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 72% | 0.721 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.2 | -35.7 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | A125 | A125-V127 PolarHBondContact O-N 3.24Å |
| 128 | I | 66.6 | Low | 72.2 | Confident | 143 Ų | 143 | 81.2 Ų | 81.2 | 73% | 0.733 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -80.6 | -32.5 | 178.5 | -54.7 | 172.6 | 0 | 0 | 0 | 110.6 | A125 Y126 | A125-I128 PolarHBondContact O-N 3.39Å; Y126-I128 PolarHBondContact O-N 3.23Å |
| 129 | S | 70.1 | Confident | 72 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78.3 | -27.4 | -177.8 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | A125 Y126 | A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 2.98Å; A125-S129 PolarHBondContact O-N 3.48Å; A125-S129 PolarHBondContact O-OG 3.25Å; Y126-S129 PolarHBondContact O-N 3.17Å; Y126-S129 VanDerWaalsContact O-N 3.14Å |
| 130 | F | 71.4 | Confident | 71.7 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 4% | 0.044 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -129 | 67 | 178.6 | -60.9 | -66.4 | 0 | 0 | 0 | 111.8 | C114 T117 R119 V121 Y126 G133 Q134 C135 | C114-F130 HydrophobicContact CB-CE1 4.31Å; C114-F130 HydrophobicContact CB-CE2 3.87Å; C114-F130 HydrophobicContact CB-CZ 3.52Å; T117-F130 HydrophobicContact CG2-CD1 4.44Å; T117-F130 HydrophobicContact CG2-CE1 3.87Å; T117-F130 WeakPolarHBondContact OG1-CE1 3.33Å; T117-F130 WeakPolarHBondContact OG1-CZ 3.48Å; R119-F130 HydrophobicContact CB-CZ 4.26Å; V121-F130 HydrophobicContact CB-CE2 4.31Å; V121-F130 HydrophobicContact CG1-CE2 3.62Å; V121-F130 HydrophobicContact CG1-CZ 3.91Å; V121-F130 HydrophobicContact CG2-CD2 4.33Å; V121-F130 HydrophobicContact CG2-CE2 3.69Å; Y126-F130 AromaticContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CE2 4.05Å; Y126-F130 AromaticContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CE2 4.07Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.39Å; Y126-F130 PolarHBondContact O-N 3.3Å; F130-G133 PolarHBondContact O-N 2.97Å; F130-Q134 HydrophobicContact CB-CB 4.3Å; F130-Q134 HydrophobicContact CD1-CB 4.06Å; F130-C135 HydrophobicContact CB-CB 4.14Å; F130-C135 HydrophobicContact CD1-CB 3.9Å; F130-C135 HydrophobicContact CD2-CB 3.75Å; F130-C135 HydrophobicContact CE1-CB 4.22Å; F130-C135 HydrophobicContact CE2-CB 4.04Å; F130-C135 HydrophobicContact CG-CB 3.66Å; F130-C135 HydrophobicContact CZ-CB 4.27Å |
| 131 | P | 57.7 | Low | 70.7 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 34% | 0.344 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -60 | 143.1 | 175 | 27.7 | -33.9 | 0 | 0 | 0 | 109.8 | G133 Q134 | P131-G133 VanDerWaalsContact C-N 3.26Å; P131-G133 PolarHBondContact O-N 3.37Å; P131-Q134 VanDerWaalsContact O-CG 3.3Å; P131-Q134 WeakPolarHBondContact O-CG 3.3Å |
| 132 | Y | 61.7 | Low | 70 | Confident | 233 Ų | 233 | 82.5 Ų | 82.5 | 91% | 0.914 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | 63.6 | 20.4 | -179.3 | -45.1 | -73.5 | 0 | 0 | 0 | 115.9 | ||
| 133 | G | 65.1 | Low | 69.2 | Low | 45 Ų | 45 | 82.4 Ų | 82.4 | 46% | 0.464 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | 73.7 | 30.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F130 P131 C135 | F130-G133 PolarHBondContact O-N 2.97Å; P131-G133 VanDerWaalsContact C-N 3.26Å; P131-G133 PolarHBondContact O-N 3.37Å; G133-C135 CarbonylContact O-C 3.53Å; G133-C135 PolarHBondContact O-N 2.95Å |
| 134 | Q | 67.1 | Low | 68.3 | Low | 113 Ų | 113 | 83.1 Ų | 83.1 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | trans | -55.8 | -21 | 175.6 | -74.5 | 171 | 2.7 | 0 | 0 | 113.9 | F130 P131 | F130-Q134 HydrophobicContact CB-CB 4.3Å; F130-Q134 HydrophobicContact CD1-CB 4.06Å; P131-Q134 VanDerWaalsContact O-CG 3.3Å; P131-Q134 WeakPolarHBondContact O-CG 3.3Å | ||
| 135 | C | 75.4 | Confident | 67.4 | Low | 7 Ų | 7 | 81.7 Ų | 81.7 | 5% | 0.047 | 44% | 0.443 | C | S | . | . | trans | -95.5 | 110.8 | 169.6 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | C114 Y126 F130 G133 E137 | C114-C135 VanDerWaalsContact CA-SG 3.53Å; C114-C135 HydrophobicContact CB-CB 4.05Å; C114-C135 WeakPolarHBondContact CB-SG 3.37Å; C114-C135 WeakPolarHBondContact SG-CA 3.4Å; C114-C135 WeakPolarHBondContact SG-CB 3.34Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.17Å; Y126-C135 HydrophobicContact CE2-CB 4Å; F130-C135 HydrophobicContact CB-CB 4.14Å; F130-C135 HydrophobicContact CD1-CB 3.9Å; F130-C135 HydrophobicContact CD2-CB 3.75Å; F130-C135 HydrophobicContact CE1-CB 4.22Å; F130-C135 HydrophobicContact CE2-CB 4.04Å; F130-C135 HydrophobicContact CG-CB 3.66Å; F130-C135 HydrophobicContact CZ-CB 4.27Å; G133-C135 CarbonylContact O-C 3.53Å; G133-C135 PolarHBondContact O-N 2.95Å; C135-E137 PolarHBondContact SG-O 3.27Å | ||
| 136 | M | 66.6 | Low | 66 | Low | 158 Ų | 158 | 86.4 Ų | 86.4 | 78% | 0.778 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -72.6 | -28.8 | -177.3 | -63.6 | -68.4 | -84.6 | 0 | 0 | 113.3 | S116 | S116-M136 PolarHBondContact OG-N 3.29Š|
| 137 | E | 72.9 | Confident | 64.6 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | trans | -157.9 | 139.7 | 175.7 | -172.6 | 178.8 | -165 | 0 | 0 | 109.2 | C135 K146 | C135-E137 PolarHBondContact SG-O 3.27Å; E137-K146 WeakPolarHBondContact OE1-CD 3.35Å; E137-K146 IonicContact OE1-NZ 2.83Å; E137-K146 PolarHBondContact OE1-NZ 3.13Å | ||
| 138 | W | 75.8 | Confident | 63.3 | Low | 119 Ų | 119 | 87.9 Ų | 87.9 | 45% | 0.451 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.8 | 176.7 | 59.7 | -95.3 | 0 | 0 | 0 | 111.5 | M112 W113 Y126 T140 | M112-W138 HydrophobicContact CB-CE3 4.43Å; M112-W138 HydrophobicContact CG-CE3 4.38Å; M112-W138 HydrophobicContact SD-CD2 4.14Å; M112-W138 HydrophobicContact SD-CE3 3.83Å; M112-W138 HydrophobicContact SD-CH2 4.4Å; M112-W138 HydrophobicContact SD-CZ3 3.99Å; W113-W138 CarbonylContact O-C 3.55Å; W113-W138 WeakPolarHBondContact O-CA 3.45Å; Y126-W138 HydrophobicContact CE2-CB 4.16Å; Y126-W138 AromaticContact CE2-CD1 3.79Å; Y126-W138 HydrophobicContact CE2-CG 4.12Å; Y126-W138 AromaticContact CZ-CD1 3.64Å; W138-T140 HydrophobicContact CE3-CG2 3.87Å; W138-T140 HydrophobicContact CZ3-CG2 3.55Å |
| 139 | Q | 74.8 | Confident | 62 | Low | 30 Ų | 30 | 85.6 Ų | 85.6 | 14% | 0.14 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.3 | -175.6 | -64.1 | 171.4 | -4.5 | 0 | 0 | 110.6 | W113 E142 | W113-Q139 PolarHBondContact N-O 3.37Å; W113-Q139 PolarHBondContact O-N 3.35Å; Q139-E142 PolarHBondContact OE1-O 3.31Å; Q139-E142 VanDerWaalsContact OE1-O 3.09Å |
| 140 | T | 71.9 | Confident | 60.6 | Low | 32 Ų | 32 | 86.8 Ų | 86.8 | 20% | 0.196 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -120.3 | -13 | -179.5 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | M112 W138 | M112-T140 HydrophobicContact CB-CG2 4.34Å; M112-T140 HydrophobicContact CG-CG2 3.73Å; M112-T140 HydrophobicContact SD-CG2 4.29Å; W138-T140 HydrophobicContact CE3-CG2 3.87Å; W138-T140 HydrophobicContact CZ3-CG2 3.55Å |
| 141 | Q | 63.3 | Low | 59 | Low | 139 Ų | 139 | 91 Ų | 91 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -137.7 | -36.7 | -171.7 | -66.2 | -176 | -6.1 | 0 | 0 | 113.7 | A108 | A108-Q141 HydrophobicContact CB-CG 4.36Š|
| 142 | E | 66.1 | Low | 58.1 | Low | 136 Ų | 136 | 90.9 Ų | 90.9 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | trans | -132.7 | 120.7 | -173.1 | -155.7 | 173.7 | 166.9 | 0 | 0 | 112.5 | Q139 S144 | Q139-E142 PolarHBondContact OE1-O 3.31Å; Q139-E142 VanDerWaalsContact OE1-O 3.09Å; E142-S144 WeakPolarHBondContact CG-OG 3.45Å; E142-S144 PolarHBondContact O-N 2.97Å; E142-S144 PolarHBondContact OE1-OG 3.06Å | ||
| 143 | C | 62.7 | Low | 57 | Low | 53 Ų | 53 | 86.2 Ų | 86.2 | 36% | 0.358 | 51% | 0.508 | S | S | . | . | trans | -91.2 | 31.6 | 179 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | C101 G145 | C101-C143 HydrophobicContact CB-CB 3.83Å; C101-C143 WeakPolarHBondContact CB-SG 3.39Å; C101-C143 WeakPolarHBondContact SG-CB 3.42Å; C101-C143 CovalentContact SG-SG 2.02Å; C101-C143 PolarHBondContact SG-SG 3.17Å; C143-G145 PolarHBondContact O-N 3.05Å; C143-G145 VanDerWaalsContact O-N 3.17Å | ||
| 144 | S | 56 | Low | 55.5 | Low | 69 Ų | 69 | 92.3 Ų | 92.3 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | trans | -71.2 | 111 | 179.2 | -72 | 0 | 0 | 0 | 0 | 108.4 | E142 K146 | E142-S144 WeakPolarHBondContact CG-OG 3.45Å; E142-S144 PolarHBondContact O-N 2.97Å; E142-S144 PolarHBondContact OE1-OG 3.06Å; S144-K146 PolarHBondContact O-N 3.41Å | ||
| 145 | G | 54.2 | Low | 53.8 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | trans | -55.8 | 96.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C143 C147 | C143-G145 PolarHBondContact O-N 3.05Å; C143-G145 VanDerWaalsContact O-N 3.17Å; G145-C147 PolarHBondContact O-N 3.49Å | ||
| 146 | K | 46.5 | Very low | 51.9 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | trans | -73.5 | 104.7 | 160.1 | -67.3 | -176.6 | -175.5 | 176.6 | 0 | 106.9 | E137 S144 Y148 | E137-K146 WeakPolarHBondContact OE1-CD 3.35Å; E137-K146 IonicContact OE1-NZ 2.83Å; E137-K146 PolarHBondContact OE1-NZ 3.13Å; S144-K146 PolarHBondContact O-N 3.41Å; K146-Y148 PolarHBondContact O-N 3.18Å; K146-Y148 VanDerWaalsContact O-N 3.12Å | ||
| 147 | C | 41.4 | Very low | 50.2 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 66% | 0.655 | 58% | 0.58 | S | S | * | * | trans | -59.7 | 114.5 | 172.7 | -82.7 | 0 | 0 | 0 | 0 | 109.4 | G145 | G145-C147 PolarHBondContact O-N 3.49Š| ||
| 148 | Y | 41.6 | Very low | 48.4 | Very low | 100 Ų | 100 | 111 Ų | 111 | 39% | 0.392 | 61% | 0.613 | S | S | . | * | trans | -64.6 | 134 | 161.3 | -60.7 | -79.6 | 0 | 0 | 0 | 107.6 | K146 G150 P151 | K146-Y148 PolarHBondContact O-N 3.18Å; K146-Y148 VanDerWaalsContact O-N 3.12Å; Y148-G150 PolarHBondContact O-N 2.82Å; Y148-P151 WeakPolarHBondContact O-CD 3.37Å | ||
| 149 | C | 38.8 | Very low | 46.6 | Very low | 95 Ų | 95 | 108.6 Ų | 108.6 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -68.6 | 31.7 | -178.1 | -79.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 150 | G | 42.7 | Very low | 44.6 | Very low | 74 Ų | 74 | 111.9 Ų | 111.9 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -87.5 | -34.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y148 | Y148-G150 PolarHBondContact O-N 2.82Š|
| 151 | P | 37.4 | Very low | 42.7 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -113.1 | -4.7 | 177.1 | 8.7 | 13.6 | 0 | 0 | 0 | 115.3 | Y148 C153 Q154 | Y148-P151 WeakPolarHBondContact O-CD 3.37Å; P151-C153 PolarHBondContact O-N 3.5Å; P151-C153 VanDerWaalsContact O-N 3.09Å; P151-Q154 PolarHBondContact O-N 3.48Å |
| 152 | C | 38.5 | Very low | 41.2 | Very low | 52 Ų | 52 | 119.4 Ų | 119.4 | 35% | 0.351 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -12.5 | -176.8 | -84.5 | 0 | 0 | 0 | 0 | 114.9 | Q154 | C152-Q154 VanDerWaalsContact C-N 3.31Å; C152-Q154 PolarHBondContact O-N 2.02Å |
| 153 | C | 37.8 | Very low | 39.5 | Very low | 134 Ų | 134 | 121 Ų | 121 | 91% | 0.905 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -0.6 | 177.5 | -73.9 | 0 | 0 | 0 | 0 | 114.6 | P151 | P151-C153 PolarHBondContact O-N 3.5Å; P151-C153 VanDerWaalsContact O-N 3.09Å |
| 154 | Q | 34.5 | Very low | 37.9 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -106 | -22.5 | -175 | -134.3 | 169.9 | 8.4 | 0 | 0 | 115.3 | P151 C152 | P151-Q154 PolarHBondContact O-N 3.48Å; C152-Q154 VanDerWaalsContact C-N 3.31Å; C152-Q154 PolarHBondContact O-N 2.02Å |
| 155 | W | 30.1 | Very low | 36.6 | Very low | 215 Ų | 215 | 129.3 Ų | 129.3 | 81% | 0.814 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -121.7 | 102.9 | 176 | -76.2 | -2.6 | 0 | 0 | 0 | 110.9 | R157 | W155-R157 PolarHBondContact O-N 3.11Š|
| 156 | G | 36.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | trans | -61.6 | 96.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 157 | R | 30.5 | Very low | 34.8 | Very low | 220 Ų | 220 | 131.5 Ų | 131.5 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | -134.6 | 139.6 | 158.8 | -84.9 | -159.9 | -102.6 | -158.8 | -4.1 | 111 | W155 | W155-R157 PolarHBondContact O-N 3.11Š| ||
| 158 | E | 34.7 | Very low | 34.2 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 96% | 0.963 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -62.1 | 127.7 | -171.9 | -61 | 163.2 | -175.6 | 0 | 0 | 111.1 | ||
| 159 | G | 38.9 | Very low | 33.5 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 137.6 | 8.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 160 | C | 32 | Very low | 33.1 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -94.8 | 113.7 | 177.1 | -75.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 161 | W | 31.9 | Very low | 32.3 | Very low | 237 Ų | 237 | 141.8 Ų | 141.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -96.5 | 116.1 | 167.3 | -76.8 | 50.7 | 0 | 0 | 0 | 109.2 | ||||
| 162 | C | 31.4 | Very low | 31.9 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | trans | -94.3 | 114 | 169 | -65.7 | 0 | 0 | 0 | 0 | 108.4 | S164 | C162-S164 PolarHBondContact O-N 2.9Š| ||
| 163 | L | 30.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -82.6 | 90.3 | 171.2 | -74.3 | 167.1 | 0 | 0 | 0 | 109.1 | ||||
| 164 | S | 30 | Very low | 30.6 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 125.2 | 159.7 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | C162 | C162-S164 PolarHBondContact O-N 2.9Š|
| 165 | H | 28 | Very low | 30.5 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.7 | 169.1 | -85.4 | -62.9 | 0 | 0 | 0 | 111.7 | ||
| 166 | P | 31.4 | Very low | 30.3 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 116.4 | 165.3 | 31.1 | -20.3 | 0 | 0 | 0 | 111.1 | R168 | P166-R168 PolarHBondContact O-N 3.01Š|
| 167 | V | 31.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.8 | 149.7 | 174.2 | 0 | 0 | 0 | 0 | 107.1 | ||
| 168 | R | 29.3 | Very low | 30 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 30.6 | 119.2 | 163.9 | -58.7 | -175 | -162.5 | 177.4 | 5.8 | 118.7 | P166 | P166-R168 PolarHBondContact O-N 3.01Š|
| 169 | G | 27 | Very low | 29.5 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 115.3 | 111.2 | 142.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 170 | L | 30.7 | Very low | 28.9 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 100% | 1 | 81% | 0.812 | S | S | * | * | trans | 56 | 99 | 162.1 | -76.9 | 131 | 0 | 0 | 0 | 117.5 | ||||
| 171 | G | 26 | Very low | 28.5 | Very low | 79 Ų | 79 | 150.9 Ų | 150.9 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -134 | 119.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 172 | M | 28.7 | Very low | 28 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -74.6 | 125.3 | -167 | -163.4 | 165.9 | 66.7 | 0 | 0 | 112.1 | ||||
| 173 | L | 25.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -72.7 | 127.5 | 164 | -83.5 | 157.2 | 0 | 0 | 0 | 108.5 | ||||
| 174 | C | 23.4 | Very low | 27.4 | Very low | 114 Ų | 114 | 150 Ų | 150 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -118.7 | 137 | 161.7 | -123.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 175 | P | 31.6 | Very low | 27.1 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -104.1 | 155.4 | -155.3 | 38.4 | -29.4 | 0 | 0 | 0 | 112.8 | ||||
| 176 | R | 26.3 | Very low | 26.9 | Very low | 257 Ų | 257 | 151.4 Ų | 151.4 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | trans | -157.4 | 119 | 144 | -111 | 161.1 | 176.6 | 146.2 | -1.3 | 110.2 | ||||
| 177 | A | 24 | Very low | 26.9 | Very low | 97 Ų | 97 | 151.1 Ų | 151.1 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -83.9 | -162.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 178 | P | 37.5 | Very low | 27 | Very low | 95 Ų | 95 | 150.6 Ų | 150.6 | 62% | 0.617 | 81% | 0.812 | S | S | * | * | cis | -130.5 | 171 | -6.4 | 27.2 | -1.7 | 0 | 0 | 0 | 113.7 | ||||
| 179 | F | 24.8 | Very low | 26.8 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | -160.2 | 125 | 65.5 | -71.6 | -87.9 | 0 | 0 | 0 | 110.3 | |||||
| 180 | K | 24.7 | Very low | 26.8 | Very low | 200 Ų | 200 | 152.7 Ų | 152.7 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | 49.5 | 126.5 | 102 | -87.5 | -173.9 | 178.8 | -179.1 | 0 | 115.2 | |||||
| 181 | V | 23.3 | Very low | 26.5 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | cis | -153.5 | 148.7 | 47.8 | 168.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 182 | I | 23.1 | Very low | 26.5 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | -91.4 | 141.5 | 173.2 | -64.3 | 170.8 | 0 | 0 | 0 | 110.3 | K184 | I182-K184 HydrophobicContact CG2-CB 4.47Š| ||
| 183 | I | 25 | Very low | 26.3 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -134 | 118.6 | 139.4 | -54 | -179.2 | 0 | 0 | 0 | 109 | ||||
| 184 | K | 24.2 | Very low | 26.2 | Very low | 172 Ų | 172 | 145 Ų | 145 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -90.2 | 174.4 | 172.9 | -108.5 | -173.8 | 179.5 | -179.7 | 0 | 110 | I182 | I182-K184 HydrophobicContact CG2-CB 4.47Š| ||
| 185 | L | 23.9 | Very low | 26.3 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 115.9 | 130.3 | 149.7 | -59.7 | 173.1 | 0 | 0 | 0 | 111.4 | ||||
| 186 | K | 23.9 | Very low | 26.2 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | cis | -163.4 | 147 | 9.5 | -105.4 | 160 | -177.7 | -173.8 | 0 | 107.4 | ||||
| 187 | S | 31 | Very low | 26.2 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -112.5 | 151.3 | 160.2 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 188 | P | 32.8 | Very low | 26.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -123 | 120.3 | 142.2 | 22.4 | -4.8 | 0 | 0 | 0 | 109.2 | ||||
| 189 | A | 26.2 | Very low | 26.4 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | 95.3 | 133.6 | 68.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 190 | W | 26 | Very low | 26.6 | Very low | 270 Ų | 270 | 139.6 Ų | 139.6 | 100% | 1.023 | 78% | 0.779 | S | S | * | * | trans | 86.6 | 128.4 | 176.9 | -62.1 | -2.9 | 0 | 0 | 0 | 116.4 | ||||
| 191 | G | 24.7 | Very low | 26.8 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | 170.2 | 137.5 | -1.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 192 | S | 25.6 | Very low | 27.2 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 92% | 0.923 | 77% | 0.765 | S | S | * | * | trans | 57.1 | 126.7 | 155.4 | 50.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 193 | G | 24.2 | Very low | 27.5 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 129.4 | 83.7 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 194 | M | 25.1 | Very low | 27.9 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 96% | 0.956 | 76% | 0.757 | S | S | * | * | trans | 53 | 127.4 | 131.6 | -134.3 | 155.3 | 168.6 | 0 | 0 | 121.9 | ||||
| 195 | S | 24.2 | Very low | 28 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 98.9 | 136 | 143.9 | -160.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 196 | S | 29.6 | Very low | 28.2 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -48 | 170.8 | 172 | 51.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 197 | T | 25.7 | Very low | 28.2 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | 85 | 131 | -175.2 | 73 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 198 | F | 33.4 | Very low | 28.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | -172 | 99.9 | 53.5 | -168.7 | -124.7 | 0 | 0 | 0 | 106.5 | D200 | F198-D200 HydrophobicContact CD1-CB 3.53Å; F198-D200 WeakPolarHBondContact CD1-O 3.4Å; F198-D200 HydrophobicContact CD2-CB 3.57Å; F198-D200 WeakPolarHBondContact CD2-OD2 2.99Å; F198-D200 HydrophobicContact CE1-CB 3.32Å; F198-D200 WeakPolarHBondContact CE1-O 3.02Å; F198-D200 HydrophobicContact CE2-CB 3.33Å; F198-D200 WeakPolarHBondContact CE2-OD2 3.33Å; F198-D200 HydrophobicContact CG-CB 3.65Å; F198-D200 HydrophobicContact CZ-CB 3.19Å; F198-D200 PolarHBondContact O-N 2.02Å | |||
| 199 | L | 32.8 | Very low | 27.7 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 51 | 164.9 | -106 | 172.1 | 0 | 0 | 0 | 109.2 | ||||
| 200 | D | 29.4 | Very low | 28 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 52% | 0.519 | 76% | 0.762 | S | S | . | * | trans | -145.4 | 81.3 | -171.8 | -78.1 | -42.9 | 0 | 0 | 0 | 108.9 | F198 | F198-D200 HydrophobicContact CD1-CB 3.53Å; F198-D200 WeakPolarHBondContact CD1-O 3.4Å; F198-D200 HydrophobicContact CD2-CB 3.57Å; F198-D200 WeakPolarHBondContact CD2-OD2 2.99Å; F198-D200 HydrophobicContact CE1-CB 3.32Å; F198-D200 WeakPolarHBondContact CE1-O 3.02Å; F198-D200 HydrophobicContact CE2-CB 3.33Å; F198-D200 WeakPolarHBondContact CE2-OD2 3.33Å; F198-D200 HydrophobicContact CG-CB 3.65Å; F198-D200 HydrophobicContact CZ-CB 3.19Å; F198-D200 PolarHBondContact O-N 2.02Å | ||
| 201 | N | 28.4 | Very low | 28.1 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 47% | 0.465 | 75% | 0.751 | S | S | . | * | trans | 172.3 | 53.9 | 142.6 | -105.6 | -31.2 | 0 | 0 | 0 | 112.7 | Q204 | N201-Q204 WeakPolarHBondContact OD1-CG 3.47Š| ||
| 202 | I | 32.5 | Very low | 28.1 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -93.8 | 29 | 162.3 | -49.9 | -175.6 | 0 | 0 | 0 | 110 | ||
| 203 | S | 29.6 | Very low | 27.9 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -135.7 | 11.5 | -178.1 | 37.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 204 | Q | 32.4 | Very low | 28.1 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | trans | -128.9 | 17.8 | 178.2 | -72.9 | -165.8 | 23.8 | 0 | 0 | 116.3 | N201 | N201-Q204 WeakPolarHBondContact OD1-CG 3.47Š| ||
| 205 | L | 27.3 | Very low | 28.2 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -98.7 | 21.6 | 176.3 | -74.8 | 170.1 | 0 | 0 | 0 | 115 | ||
| 206 | C | 28.5 | Very low | 28.3 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 92% | 0.919 | 74% | 0.741 | S | S | * | * | trans | -133.1 | 66 | 167 | -84.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 207 | A | 23.7 | Very low | 28.4 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | -141.9 | 95.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 208 | R | 28.6 | Very low | 28.5 | Very low | 224 Ų | 224 | 138.4 Ų | 138.4 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | 61.2 | 152.6 | 145.1 | -63.8 | -173.2 | 178 | 173.2 | 0.2 | 121.3 | ||||
| 209 | H | 24.7 | Very low | 28 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 84.1 | 103.5 | 165.9 | -68.5 | -81.6 | 0 | 0 | 0 | 115.1 | ||||
| 210 | S | 30.6 | Very low | 27.8 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | 72.4 | 109.1 | 69.4 | 75.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 211 | E | 29.5 | Very low | 27.6 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 83.3 | 136.8 | 154.9 | -55.8 | -177.9 | 170.7 | 0 | 0 | 120.3 | ||||
| 212 | F | 24 | Very low | 27.5 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 102.2 | 94.4 | 161.3 | -66.5 | -79.9 | 0 | 0 | 0 | 122.1 | ||||
| 213 | Q | 22.3 | Very low | 27.2 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | 38.7 | 108.5 | 122.4 | -139.5 | 97.9 | 4.1 | 0 | 0 | 123 | |||||
| 214 | F | 27.7 | Very low | 27.1 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 23.1 | 147.7 | 137 | -64 | -75.1 | 0 | 0 | 0 | 122.4 | ||||
| 215 | P | 26.9 | Very low | 26.8 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -149.2 | 161.3 | 53.1 | 37.9 | -15.1 | 0 | 0 | 0 | 119.4 | |||||
| 216 | S | 26.4 | Very low | 26.8 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -79.4 | 175.7 | -178.1 | -22.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 217 | P | 32.8 | Very low | 26.9 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | S | Bend | -138.7 | 128.6 | 57 | 34.6 | -14.4 | 0 | 0 | 0 | 115.4 | |||
| 218 | G | 26.8 | Very low | 27.3 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 153.4 | 41.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 219 | C | 23.6 | Very low | 27.5 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -124.5 | 127.5 | 165 | -92.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 220 | P | 27.5 | Very low | 28 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -71.1 | 146.9 | 170.5 | 29.8 | -30.5 | 0 | 0 | 0 | 110.3 | ||||
| 221 | I | 25.1 | Very low | 28 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | trans | -67.1 | 123.9 | -164.2 | -57.3 | 157.4 | 0 | 0 | 0 | 110.6 | I223 | I221-I223 HydrophobicContact CG2-CG1 3.89Š| ||
| 222 | C | 26.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 72% | 0.716 | 76% | 0.758 | S | S | * | * | trans | -87.7 | 106.5 | 162.5 | -80.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 223 | I | 26.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 131 Ų | 131 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -84 | 119 | 169 | -49.2 | 173.9 | 0 | 0 | 0 | 106.8 | I221 | I221-I223 HydrophobicContact CG2-CG1 3.89Š| ||
| 224 | T | 27.8 | Very low | 29.5 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -78.7 | 120.8 | 175.2 | 38.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 225 | Y | 25.4 | Very low | 30.1 | Very low | 215 Ų | 215 | 122 Ų | 122 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -134 | 117.2 | 150.2 | -115.5 | -95 | 0 | 0 | 0 | 107.1 | ||||
| 226 | M | 27.6 | Very low | 30.7 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 79% | 0.793 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 70.3 | 79.4 | 172.8 | -58.9 | -76.6 | -125.7 | 0 | 0 | 117.9 | K228 | M226-K228 PolarHBondContact O-N 3.19Š|
| 227 | N | 31.5 | Very low | 31.3 | Very low | 171 Ų | 171 | 117.5 Ų | 117.5 | 91% | 0.914 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 53.2 | 52.3 | 154.1 | -80.5 | -9 | 0 | 0 | 0 | 118.1 | ||
| 228 | K | 31.1 | Very low | 31.6 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 48% | 0.478 | 68% | 0.679 | S | S | . | * | trans | -127.6 | 128.9 | 170.5 | -61.6 | -175.2 | -177.8 | -160.3 | 0 | 110.5 | M226 I235 N237 | M226-K228 PolarHBondContact O-N 3.19Å; K228-I235 HydrophobicContact CD-CG2 3.88Å; K228-N237 WeakPolarHBondContact CE-OD1 2.94Å; K228-N237 PolarHBondContact NZ-OD1 2.89Å; K228-N237 VanDerWaalsContact NZ-OD1 3.15Å | ||
| 229 | L | 33.6 | Very low | 32.2 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | trans | -101.4 | 129.1 | 163.4 | -97.7 | 106.2 | 0 | 0 | 0 | 108.3 | ||||
| 230 | C | 34.2 | Very low | 33.4 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 46% | 0.459 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.1 | 173.6 | -92 | 0 | 0 | 0 | 0 | 109.6 | ||
| 231 | C | 30.8 | Very low | 34.6 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.3 | 159.1 | -74.2 | 0 | 0 | 0 | 0 | 107.6 | G233 L234 | C231-G233 PolarHBondContact O-N 3.18Å; C231-L234 PolarHBondContact O-N 3.05Å |
| 232 | N | 33.1 | Very low | 35.8 | Very low | 173 Ų | 173 | 117 Ų | 117 | 93% | 0.925 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.7 | 57.8 | 175.3 | -80.1 | -6 | 0 | 0 | 0 | 115.4 | L234 | N232-L234 PolarHBondContact O-N 3.17Å; N232-L234 VanDerWaalsContact O-N 3.17Å |
| 233 | G | 37.4 | Very low | 36.9 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.8 | 3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | C231 | C231-G233 PolarHBondContact O-N 3.18Š|
| 234 | L | 36.3 | Very low | 37.8 | Very low | 89 Ų | 89 | 110.1 Ų | 110.1 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.8 | 172.2 | -64.3 | 171.8 | 0 | 0 | 0 | 109.5 | C231 N232 L244 | C231-L234 PolarHBondContact O-N 3.05Å; N232-L234 PolarHBondContact O-N 3.17Å; N232-L234 VanDerWaalsContact O-N 3.17Å; L234-L244 VanDerWaalsContact CD2-O 3.31Å; L234-L244 WeakPolarHBondContact CD2-O 3.18Å |
| 235 | I | 41.4 | Very low | 38.7 | Very low | 60 Ų | 60 | 106.1 Ų | 106.1 | 31% | 0.308 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 110.8 | 171.8 | -62.1 | 172.5 | 0 | 0 | 0 | 107.5 | K228 N237 L244 | K228-I235 HydrophobicContact CD-CG2 3.88Å; I235-N237 PolarHBondContact O-N 3.28Å; I235-L244 HydrophobicContact CB-CB 4.41Å; I235-L244 HydrophobicContact CB-CD1 3.77Å; I235-L244 HydrophobicContact CG2-CD1 3.93Å |
| 236 | L | 38.7 | Very low | 39.4 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 101.9 | 172.3 | -81.4 | 157.7 | 0 | 0 | 0 | 109.8 | K238 F252 | L236-K238 PolarHBondContact O-N 2.86Å; L236-F252 HydrophobicContact CD2-CZ 3.88Å |
| 237 | N | 39.6 | Very low | 40.1 | Very low | 34 Ų | 34 | 103.6 Ų | 103.6 | 18% | 0.182 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 90.2 | 166.2 | -79.9 | -7.7 | 0 | 0 | 0 | 109 | K228 I235 K239 E240 | K228-N237 WeakPolarHBondContact CE-OD1 2.94Å; K228-N237 PolarHBondContact NZ-OD1 2.89Å; K228-N237 VanDerWaalsContact NZ-OD1 3.15Å; I235-N237 PolarHBondContact O-N 3.28Å; N237-K239 PolarHBondContact O-N 3.35Å; N237-E240 PolarHBondContact O-N 3.45Å |
| 238 | K | 38.8 | Very low | 41.1 | Very low | 204 Ų | 204 | 101.8 Ų | 101.8 | 89% | 0.887 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -12.4 | 175.9 | -172 | 172.7 | 179.2 | 178.2 | 0 | 113.8 | L236 | L236-K238 PolarHBondContact O-N 2.86Š|
| 239 | K | 39.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 101.4 Ų | 101.4 | 88% | 0.878 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -12.5 | -175.1 | -130.6 | 178.8 | -178.3 | -175.6 | 0 | 114.5 | N237 | N237-K239 PolarHBondContact O-N 3.35Š|
| 240 | E | 48.8 | Very low | 43.4 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 10.3 | -168.7 | -70.1 | 174.6 | 164.6 | 0 | 0 | 115 | N237 L242 | N237-E240 PolarHBondContact O-N 3.45Å; E240-L242 HydrophobicContact CB-CD1 4.11Å; E240-L242 WeakPolarHBondContact O-CG 3.42Å; E240-L242 PolarHBondContact O-N 2.93Å; E240-L242 VanDerWaalsContact O-N 3.15Å |
| 241 | N | 52.8 | Low | 44.9 | Very low | 67 Ų | 67 | 94.5 Ų | 94.5 | 36% | 0.358 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.4 | 178.9 | -57.8 | -33 | 0 | 0 | 0 | 114.8 | F252 F255 C265 | N241-F252 VanDerWaalsContact C-CD2 3.49Å; N241-F252 WeakPolarHBondContact O-CD2 2.94Å; N241-F252 PolarHBondContact O-N 2.89Å; N241-F255 HydrophobicContact CB-CD1 4.2Å; N241-F255 HydrophobicContact CB-CE1 4.13Å; N241-F255 HydrophobicContact CB-CG 4.46Å; N241-F255 HydrophobicContact CB-CZ 4.36Å; N241-F255 VanDerWaalsContact ND2-CE1 3.26Å; N241-F255 WeakPolarHBondContact ND2-CE1 3.45Å; N241-C265 HydrophobicContact CB-CB 4.43Å |
| 242 | L | 50.9 | Low | 46.5 | Very low | 15 Ų | 15 | 93.3 Ų | 93.3 | 8% | 0.079 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.6 | -176.8 | -71.7 | 166 | 0 | 0 | 0 | 112 | E240 F249 C265 | E240-L242 HydrophobicContact CB-CD1 4.11Å; E240-L242 WeakPolarHBondContact O-CG 3.42Å; E240-L242 PolarHBondContact O-N 2.93Å; E240-L242 VanDerWaalsContact O-N 3.15Å; L242-F249 HydrophobicContact CD1-CD1 4.17Å; L242-F249 HydrophobicContact CD2-CB 4.14Å; L242-C265 WeakPolarHBondContact CD2-SG 3.3Å |
| 243 | I | 49.5 | Very low | 48.1 | Very low | 61 Ų | 61 | 91.4 Ų | 91.4 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.7 | 164.8 | -55.3 | 176.3 | 0 | 0 | 0 | 108 | G245 T250 F252 | I243-G245 PolarHBondContact O-N 3.27Å; I243-T250 PolarHBondContact N-O 2.89Å; I243-T250 PolarHBondContact O-N 2.75Å; I243-T250 VanDerWaalsContact O-N 3.08Å; I243-F252 HydrophobicContact CD1-CD1 3.69Å; I243-F252 HydrophobicContact CD1-CE1 3.67Å; I243-F252 HydrophobicContact CD1-CG 4.19Å; I243-F252 HydrophobicContact CD1-CZ 4.16Å; I243-F252 HydrophobicContact CG1-CD1 3.88Å; I243-F252 HydrophobicContact CG1-CD2 4.01Å; I243-F252 HydrophobicContact CG1-CE1 3.62Å; I243-F252 HydrophobicContact CG1-CE2 3.75Å; I243-F252 HydrophobicContact CG1-CG 4.07Å; I243-F252 HydrophobicContact CG1-CZ 3.55Å |
| 244 | L | 44.5 | Very low | 49.6 | Very low | 46 Ų | 46 | 88.7 Ų | 88.7 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 102.8 | 173.3 | -92.9 | 148.9 | 0 | 0 | 0 | 109.7 | L234 I235 F249 | L234-L244 VanDerWaalsContact CD2-O 3.31Å; L234-L244 WeakPolarHBondContact CD2-O 3.18Å; I235-L244 HydrophobicContact CB-CB 4.41Å; I235-L244 HydrophobicContact CB-CD1 3.77Å; I235-L244 HydrophobicContact CG2-CD1 3.93Å; L244-F249 HydrophobicContact CD1-CE1 4.36Å; L244-F249 HydrophobicContact CD2-CD1 4.05Å; L244-F249 HydrophobicContact CD2-CE1 3.48Å; L244-F249 VanDerWaalsContact CD2-CE1 3.48Å; L244-F249 HydrophobicContact CD2-CZ 3.9Å; L244-F249 HydrophobicContact CG-CD1 4.14Å; L244-F249 HydrophobicContact CG-CE1 3.8Å |
| 245 | G | 48.4 | Very low | 51.2 | Low | 32 Ų | 32 | 86.5 Ų | 86.5 | 33% | 0.33 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 159.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I243 S247 K248 | I243-G245 PolarHBondContact O-N 3.27Å; G245-S247 PolarHBondContact O-N 3.32Å; G245-K248 PolarHBondContact N-O 3.4Å; G245-K248 VanDerWaalsContact N-O 3.15Å; G245-K248 PolarHBondContact O-N 3.14Å |
| 246 | Q | 40.3 | Very low | 52.9 | Low | 204 Ų | 204 | 84.3 Ų | 84.3 | 95% | 0.953 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -13.2 | -173.7 | -95.4 | 177.3 | -21.8 | 0 | 0 | 116.6 | ||
| 247 | S | 40.9 | Very low | 54.4 | Low | 119 Ų | 119 | 80.6 Ų | 80.6 | 83% | 0.832 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.7 | 9.5 | 172.8 | -51 | 0 | 0 | 0 | 0 | 115.7 | G245 | G245-S247 PolarHBondContact O-N 3.32Š|
| 248 | K | 53.1 | Low | 55.3 | Low | 134 Ų | 134 | 85.6 Ų | 85.6 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 144.9 | 179.2 | -73.2 | -168.5 | 175.5 | -166.8 | 0 | 111 | G245 D259 | G245-K248 PolarHBondContact N-O 3.4Å; G245-K248 VanDerWaalsContact N-O 3.15Å; G245-K248 PolarHBondContact O-N 3.14Å; K248-D259 IonicContact NZ-OD2 3.13Å |
| 249 | F | 53.4 | Low | 56 | Low | 102 Ų | 102 | 80.7 Ų | 80.7 | 45% | 0.447 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 133.3 | 169 | -69.2 | -82.3 | 0 | 0 | 0 | 108.8 | L242 L244 | L242-F249 HydrophobicContact CD1-CD1 4.17Å; L242-F249 HydrophobicContact CD2-CB 4.14Å; L244-F249 HydrophobicContact CD1-CE1 4.36Å; L244-F249 HydrophobicContact CD2-CD1 4.05Å; L244-F249 HydrophobicContact CD2-CE1 3.48Å; L244-F249 VanDerWaalsContact CD2-CE1 3.48Å; L244-F249 HydrophobicContact CD2-CZ 3.9Å; L244-F249 HydrophobicContact CG-CD1 4.14Å; L244-F249 HydrophobicContact CG-CE1 3.8Å |
| 250 | T | 59.5 | Low | 56.7 | Low | 58 Ų | 58 | 73 Ų | 73 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.6 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 109 | I243 I279 | I243-T250 PolarHBondContact N-O 2.89Å; I243-T250 PolarHBondContact O-N 2.75Å; I243-T250 VanDerWaalsContact O-N 3.08Å; T250-I279 HydrophobicContact CG2-CD1 4.12Å; T250-I279 HydrophobicContact CG2-CG2 3.99Å |
| 251 | C | 65.5 | Low | 56.5 | Low | 9 Ų | 9 | 79.6 Ų | 79.6 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 149.8 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | F255 C265 I279 | C251-F255 HydrophobicContact CB-CB 3.83Å; C251-F255 WeakPolarHBondContact CB-O 3.36Å; C251-C265 WeakPolarHBondContact CA-SG 3.44Å; C251-C265 HydrophobicContact CB-CB 3.85Å; C251-C265 WeakPolarHBondContact CB-SG 3.41Å; C251-C265 WeakPolarHBondContact SG-CB 3.44Å; C251-C265 CovalentContact SG-SG 2.03Å; C251-C265 PolarHBondContact SG-SG 2.76Å; C251-I279 HydrophobicContact CB-CG2 4.22Å |
| 252 | F | 65.4 | Low | 56.4 | Low | 72 Ų | 72 | 84.1 Ų | 84.1 | 32% | 0.316 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 156.1 | 170.3 | -83.1 | -83.8 | 0 | 0 | 0 | 111.7 | L236 N241 I243 G254 F255 | L236-F252 HydrophobicContact CD2-CZ 3.88Å; N241-F252 VanDerWaalsContact C-CD2 3.49Å; N241-F252 WeakPolarHBondContact O-CD2 2.94Å; N241-F252 PolarHBondContact O-N 2.89Å; I243-F252 HydrophobicContact CD1-CD1 3.69Å; I243-F252 HydrophobicContact CD1-CE1 3.67Å; I243-F252 HydrophobicContact CD1-CG 4.19Å; I243-F252 HydrophobicContact CD1-CZ 4.16Å; I243-F252 HydrophobicContact CG1-CD1 3.88Å; I243-F252 HydrophobicContact CG1-CD2 4.01Å; I243-F252 HydrophobicContact CG1-CE1 3.62Å; I243-F252 HydrophobicContact CG1-CE2 3.75Å; I243-F252 HydrophobicContact CG1-CG 4.07Å; I243-F252 HydrophobicContact CG1-CZ 3.55Å; F252-G254 PolarHBondContact O-N 2.8Å; F252-F255 HydrophobicContact CB-CD2 4.06Å; F252-F255 WeakPolarHBondContact O-CB 3.38Å; F252-F255 PolarHBondContact O-N 2.83Å |
| 253 | D | 65.1 | Low | 56.7 | Low | 132 Ų | 132 | 84.3 Ų | 84.3 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.7 | 168.4 | -70.4 | -23.5 | 0 | 0 | 0 | 110.1 | L276 | D253-L276 HydrophobicContact CB-CD2 4.2Š|
| 254 | G | 69.4 | Low | 57.2 | Low | 14 Ų | 14 | 85.3 Ų | 85.3 | 14% | 0.144 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 6.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F252 C268 N275 | F252-G254 PolarHBondContact O-N 2.8Å; G254-C268 VanDerWaalsContact CA-SG 3.53Å; G254-C268 PolarHBondContact O-N 2.84Å; G254-C268 PolarHBondContact O-SG 3.04Å; G254-N275 WeakPolarHBondContact CA-O 3.34Å |
| 255 | F | 70.7 | Confident | 58.4 | Low | 43 Ų | 43 | 84 Ų | 84 | 19% | 0.189 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.6 | 170.6 | -63.5 | -99.7 | 0 | 0 | 0 | 111.6 | N241 C251 F252 C265 E266 T267 | N241-F255 HydrophobicContact CB-CD1 4.2Å; N241-F255 HydrophobicContact CB-CE1 4.13Å; N241-F255 HydrophobicContact CB-CG 4.46Å; N241-F255 HydrophobicContact CB-CZ 4.36Å; N241-F255 VanDerWaalsContact ND2-CE1 3.26Å; N241-F255 WeakPolarHBondContact ND2-CE1 3.45Å; C251-F255 HydrophobicContact CB-CB 3.83Å; C251-F255 WeakPolarHBondContact CB-O 3.36Å; F252-F255 HydrophobicContact CB-CD2 4.06Å; F252-F255 WeakPolarHBondContact O-CB 3.38Å; F252-F255 PolarHBondContact O-N 2.83Å; F255-C265 HydrophobicContact CB-CB 4.08Å; F255-C265 HydrophobicContact CD1-CB 4.47Å; F255-E266 CarbonylContact C-O 3.48Å; F255-E266 WeakPolarHBondContact CA-O 3.27Å; F255-E266 WeakPolarHBondContact CB-O 3.15Å; F255-T267 HydrophobicContact CD1-CG2 3.9Å; F255-T267 HydrophobicContact CE1-CG2 3.32Å; F255-T267 HydrophobicContact CZ-CG2 3.92Å |
| 256 | A | 76.3 | Confident | 59.5 | Low | 14 Ų | 14 | 88.2 Ų | 88.2 | 12% | 0.116 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | E266 I279 G282 | A256-E266 PolarHBondContact N-O 3.31Å; A256-E266 PolarHBondContact O-N 2.78Å; A256-I279 VanDerWaalsContact CA-O 3.27Å; A256-I279 WeakPolarHBondContact CA-O 3.49Å; A256-I279 WeakPolarHBondContact CB-O 3.44Å; A256-G282 VanDerWaalsContact CB-CA 3.45Å |
| 257 | G | 70.6 | Confident | 61.2 | Low | 15 Ų | 15 | 82.5 Ų | 82.5 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 158 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S264 I279 | G257-S264 WeakPolarHBondContact CA-O 3.42Å; G257-I279 PolarHBondContact N-O 2.83Å |
| 258 | N | 58.8 | Low | 63.2 | Low | 140 Ų | 140 | 77.9 Ų | 77.9 | 75% | 0.749 | 42% | 0.415 | S | S | * | . | trans | -86.6 | 143.5 | -180 | -154.6 | 0.3 | 0 | 0 | 0 | 110 | G260 | N258-G260 PolarHBondContact O-N 2.79Š| ||
| 259 | D | 54 | Low | 64.7 | Low | 101 Ų | 101 | 77.5 Ų | 77.5 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -63.9 | 18 | -179.1 | -76.6 | -3 | 0 | 0 | 0 | 114.1 | K248 | K248-D259 IonicContact NZ-OD2 3.13Š|
| 260 | G | 52.7 | Low | 66.3 | Low | 39 Ų | 39 | 72.8 Ų | 72.8 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -77.7 | 154.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N258 D262 G263 | N258-G260 PolarHBondContact O-N 2.79Å; G260-D262 PolarHBondContact O-N 3.38Å; G260-G263 PolarHBondContact O-N 2.89Å |
| 261 | R | 44.2 | Very low | 67.6 | Low | 254 Ų | 254 | 73 Ų | 73 | 96% | 0.958 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -9.8 | -174.7 | -112.6 | 179.2 | -92.6 | -166.3 | -4.8 | 116.2 | ||
| 262 | D | 52 | Low | 68.5 | Low | 162 Ų | 162 | 80.7 Ų | 80.7 | 87% | 0.866 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -3.6 | 179.2 | -64.4 | -25.2 | 0 | 0 | 0 | 114.3 | G260 S264 | G260-D262 PolarHBondContact O-N 3.38Å; D262-S264 VanDerWaalsContact C-N 3.29Å; D262-S264 PolarHBondContact O-N 2.9Å |
| 263 | G | 56 | Low | 69.4 | Low | 19 Ų | 19 | 78.2 Ų | 78.2 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | trans | 54.7 | 31.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | G260 C265 | G260-G263 PolarHBondContact O-N 2.89Å; G263-C265 PolarHBondContact O-N 3.07Å | ||
| 264 | S | 60.3 | Low | 70.3 | Confident | 82 Ų | 82 | 73 Ų | 73 | 57% | 0.573 | 39% | 0.394 | S | S | * | . | trans | -80.1 | 107.5 | -179.1 | -163.2 | 0 | 0 | 0 | 0 | 111.1 | G257 D262 | G257-S264 WeakPolarHBondContact CA-O 3.42Å; D262-S264 VanDerWaalsContact C-N 3.29Å; D262-S264 PolarHBondContact O-N 2.9Å | ||
| 265 | C | 69.1 | Low | 70.8 | Confident | 20 Ų | 20 | 78 Ų | 78 | 14% | 0.135 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.6 | 172.5 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | N241 L242 C251 F255 G263 | N241-C265 HydrophobicContact CB-CB 4.43Å; L242-C265 WeakPolarHBondContact CD2-SG 3.3Å; C251-C265 WeakPolarHBondContact CA-SG 3.44Å; C251-C265 HydrophobicContact CB-CB 3.85Å; C251-C265 WeakPolarHBondContact CB-SG 3.41Å; C251-C265 WeakPolarHBondContact SG-CB 3.44Å; C251-C265 CovalentContact SG-SG 2.03Å; C251-C265 PolarHBondContact SG-SG 2.76Å; F255-C265 HydrophobicContact CB-CB 4.08Å; F255-C265 HydrophobicContact CD1-CB 4.47Å; G263-C265 PolarHBondContact O-N 3.07Å |
| 266 | E | 71.6 | Confident | 71.4 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 151.1 | 174.4 | -67 | -168.1 | -176.1 | 0 | 0 | 111.1 | F255 A256 | F255-E266 CarbonylContact C-O 3.48Å; F255-E266 WeakPolarHBondContact CA-O 3.27Å; F255-E266 WeakPolarHBondContact CB-O 3.15Å; A256-E266 PolarHBondContact N-O 3.31Å; A256-E266 PolarHBondContact O-N 2.78Å |
| 267 | T | 76.3 | Confident | 71.9 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139.5 | 175.4 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | F255 K269 | F255-T267 HydrophobicContact CD1-CG2 3.9Å; F255-T267 HydrophobicContact CE1-CG2 3.32Å; F255-T267 HydrophobicContact CZ-CG2 3.92Å; T267-K269 PolarHBondContact O-N 2.68Å; T267-K269 VanDerWaalsContact O-N 3.16Å |
| 268 | C | 82.8 | Confident | 72.5 | Confident | 22 Ų | 22 | 82.4 Ų | 82.4 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 116.1 | 172.9 | -62 | 0 | 0 | 0 | 0 | 110.5 | G254 C270 C277 | G254-C268 VanDerWaalsContact CA-SG 3.53Å; G254-C268 PolarHBondContact O-N 2.84Å; G254-C268 PolarHBondContact O-SG 3.04Å; C268-C270 PolarHBondContact O-N 3.22Å; C268-C277 HydrophobicContact CB-CB 3.61Å; C268-C277 WeakPolarHBondContact CB-SG 3.45Å; C268-C277 WeakPolarHBondContact SG-CB 3.48Å; C268-C277 PolarHBondContact SG-N 3.26Å; C268-C277 VanDerWaalsContact SG-N 3.4Å; C268-C277 CovalentContact SG-SG 2Å; C268-C277 PolarHBondContact SG-SG 3.39Å |
| 269 | K | 85.9 | Confident | 73.3 | Confident | 127 Ų | 127 | 78.6 Ų | 78.6 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | trans | -94.8 | 84.5 | 178.2 | -68.5 | 176 | -175.5 | 162.8 | 0 | 110.7 | T267 Q295 | T267-K269 PolarHBondContact O-N 2.68Å; T267-K269 VanDerWaalsContact O-N 3.16Å; K269-Q295 VanDerWaalsContact O-CB 3.29Å; K269-Q295 WeakPolarHBondContact O-CB 3.31Å; K269-Q295 VanDerWaalsContact O-CG 3.24Å; K269-Q295 WeakPolarHBondContact O-CG 3.4Å | ||
| 270 | C | 86.5 | Confident | 74.3 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.02 | 41% | 0.414 | C | S | . | . | trans | -112.8 | 27 | -172.1 | -51.1 | 0 | 0 | 0 | 0 | 114.9 | C268 N272 H273 T274 C284 Q295 | C268-C270 PolarHBondContact O-N 3.22Å; C270-N272 VanDerWaalsContact C-N 3.25Å; C270-N272 PolarHBondContact O-N 3.18Å; C270-N272 VanDerWaalsContact O-N 3.08Å; C270-H273 PolarHBondContact O-N 3.03Å; C270-T274 HydrophobicContact CB-CG2 3.39Å; C270-T274 VanDerWaalsContact CB-O 3.27Å; C270-T274 WeakPolarHBondContact CB-O 3.39Å; C270-C284 WeakPolarHBondContact CA-SG 3.04Å; C270-C284 HydrophobicContact CB-CB 3.61Å; C270-C284 WeakPolarHBondContact CB-SG 3.36Å; C270-C284 WeakPolarHBondContact SG-CB 3.15Å; C270-C284 CovalentContact SG-SG 2.01Å; C270-C284 PolarHBondContact SG-SG 2.77Å; C270-Q295 CarbonylContact C-O 3.42Å | ||
| 271 | N | 85.6 | Confident | 75.6 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.1 | 173.8 | -62.3 | -53.4 | 0 | 0 | 0 | 115.1 | H273 Q295 L310 | N271-H273 PolarHBondContact O-CD2 3.09Å; N271-H273 PolarHBondContact O-N 3.17Å; N271-H273 VanDerWaalsContact O-N 3.13Å; N271-Q295 PolarHBondContact ND2-O 3.08Å; N271-L310 HydrophobicContact CB-CD2 4.3Å |
| 272 | N | 85 | Confident | 77.4 | Confident | 171 Ų | 171 | 68.4 Ų | 68.4 | 91% | 0.914 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 7.1 | -177 | -62 | -17.4 | 0 | 0 | 0 | 116.2 | C270 | C270-N272 VanDerWaalsContact C-N 3.25Å; C270-N272 PolarHBondContact O-N 3.18Å; C270-N272 VanDerWaalsContact O-N 3.08Å |
| 273 | H | 84.1 | Confident | 79.1 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -83.7 | -17.6 | 174.7 | -71 | -79.8 | 0 | 0 | 0 | 112.9 | C270 N271 T287 C296 P309 | C270-H273 PolarHBondContact O-N 3.03Å; N271-H273 PolarHBondContact O-CD2 3.09Å; N271-H273 PolarHBondContact O-N 3.17Å; N271-H273 VanDerWaalsContact O-N 3.13Å; H273-T287 WeakPolarHBondContact O-CG2 3.49Å; H273-T287 PolarHBondContact O-OG1 3.36Å; H273-C296 HydrophobicContact CB-CB 3.72Å; H273-P309 WeakPolarHBondContact NE2-CB 3.39Å; H273-P309 PolarHBondContact NE2-O 3.39Å |
| 274 | T | 84.4 | Confident | 80.7 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | trans | -164.5 | 161.8 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | C270 L276 C284 F285 | C270-T274 HydrophobicContact CB-CG2 3.39Å; C270-T274 VanDerWaalsContact CB-O 3.27Å; C270-T274 WeakPolarHBondContact CB-O 3.39Å; T274-L276 WeakPolarHBondContact CG2-O 3.15Å; T274-L276 PolarHBondContact OG1-N 2.77Å; T274-C284 HydrophobicContact CG2-CB 3.85Å; T274-F285 WeakPolarHBondContact CB-O 3.32Å; T274-F285 VanDerWaalsContact CG2-O 3.23Å; T274-F285 WeakPolarHBondContact CG2-O 3.35Å; T274-F285 PolarHBondContact OG1-O 2.92Å; T274-F285 VanDerWaalsContact OG1-O 3.07Å | ||
| 275 | N | 80.4 | Confident | 82.1 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -107.3 | -2 | 165 | 62 | -17.5 | 0 | 0 | 0 | 111.7 | G254 | G254-N275 WeakPolarHBondContact CA-O 3.34Š|
| 276 | L | 84 | Confident | 83.2 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | trans | -101.6 | 128.2 | -177.1 | -61.5 | 174.8 | 0 | 0 | 0 | 110.4 | D253 T274 F285 | D253-L276 HydrophobicContact CB-CD2 4.2Å; T274-L276 WeakPolarHBondContact CG2-O 3.15Å; T274-L276 PolarHBondContact OG1-N 2.77Å; L276-F285 HydrophobicContact CB-CD2 4.29Å; L276-F285 PolarHBondContact O-N 2.88Å | ||
| 277 | C | 85.1 | Confident | 84.2 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 163.6 | 170.4 | 76.1 | 0 | 0 | 0 | 0 | 111.2 | C268 I279 K283 | C268-C277 HydrophobicContact CB-CB 3.61Å; C268-C277 WeakPolarHBondContact CB-SG 3.45Å; C268-C277 WeakPolarHBondContact SG-CB 3.48Å; C268-C277 PolarHBondContact SG-N 3.26Å; C268-C277 VanDerWaalsContact SG-N 3.4Å; C268-C277 CovalentContact SG-SG 2Å; C268-C277 PolarHBondContact SG-SG 3.39Å; C277-I279 PolarHBondContact O-N 3.08Å; C277-K283 CarbonylContact C-O 3.58Å; C277-K283 VanDerWaalsContact CA-O 3.23Å; C277-K283 WeakPolarHBondContact CA-O 3.4Å; C277-K283 WeakPolarHBondContact CB-O 3.26Å |
| 278 | H | 83.8 | Confident | 85.1 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | trans | -70 | 127 | 179.2 | -172.3 | -97.2 | 0 | 0 | 0 | 110.6 | S280 S281 G282 K283 F285 | H278-S280 VanDerWaalsContact C-N 3.31Å; H278-S280 PolarHBondContact CE1-OG 2.81Å; H278-S280 PolarHBondContact ND1-OG 2.65Å; H278-S280 PolarHBondContact O-N 2.87Å; H278-S281 WeakPolarHBondContact CB-OG 3.45Å; H278-S281 PolarHBondContact ND1-N 3.28Å; H278-S281 PolarHBondContact ND1-OG 3.06Å; H278-S281 PolarHBondContact O-N 3.12Å; H278-G282 WeakPolarHBondContact O-CA 3.03Å; H278-G282 PolarHBondContact O-N 2.87Å; H278-K283 HydrophobicContact CB-CB 4.42Å; H278-K283 PolarHBondContact N-O 2.94Å; H278-F285 HydrophobicContact CB-CE2 4.3Å; H278-F285 HydrophobicContact CB-CZ 4.07Å | ||
| 279 | I | 76.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 30% | 0.303 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -39.7 | -167.2 | -59.4 | 169.1 | 0 | 0 | 0 | 112.7 | T250 C251 A256 G257 C277 | T250-I279 HydrophobicContact CG2-CD1 4.12Å; T250-I279 HydrophobicContact CG2-CG2 3.99Å; C251-I279 HydrophobicContact CB-CG2 4.22Å; A256-I279 VanDerWaalsContact CA-O 3.27Å; A256-I279 WeakPolarHBondContact CA-O 3.49Å; A256-I279 WeakPolarHBondContact CB-O 3.44Å; G257-I279 PolarHBondContact N-O 2.83Å; C277-I279 PolarHBondContact O-N 3.08Å |
| 280 | S | 73.8 | Confident | 85.8 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 54% | 0.538 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -21.8 | -175.7 | 62.4 | 0 | 0 | 0 | 0 | 114.9 | H278 | H278-S280 VanDerWaalsContact C-N 3.31Å; H278-S280 PolarHBondContact CE1-OG 2.81Å; H278-S280 PolarHBondContact ND1-OG 2.65Å; H278-S280 PolarHBondContact O-N 2.87Å |
| 281 | S | 81.4 | Confident | 86.1 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -13.3 | -175.8 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | H278 K283 | H278-S281 WeakPolarHBondContact CB-OG 3.45Å; H278-S281 PolarHBondContact ND1-N 3.28Å; H278-S281 PolarHBondContact ND1-OG 3.06Å; H278-S281 PolarHBondContact O-N 3.12Å; S281-K283 PolarHBondContact O-N 3.27Å |
| 282 | G | 80.8 | Confident | 86.3 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | trans | 70.2 | 4.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A256 H278 C284 | A256-G282 VanDerWaalsContact CB-CA 3.45Å; H278-G282 WeakPolarHBondContact O-CA 3.03Å; H278-G282 PolarHBondContact O-N 2.87Å; G282-C284 PolarHBondContact O-N 2.8Å | ||
| 283 | K | 88.1 | Confident | 86.4 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | trans | -72 | 124.4 | -177.2 | -174.2 | 173.3 | -174.1 | 175.9 | 0 | 111.5 | C277 H278 S281 D294 | C277-K283 CarbonylContact C-O 3.58Å; C277-K283 VanDerWaalsContact CA-O 3.23Å; C277-K283 WeakPolarHBondContact CA-O 3.4Å; C277-K283 WeakPolarHBondContact CB-O 3.26Å; H278-K283 HydrophobicContact CB-CB 4.42Å; H278-K283 PolarHBondContact N-O 2.94Å; S281-K283 PolarHBondContact O-N 3.27Å; K283-D294 WeakPolarHBondContact CE-OD1 3.44Å; K283-D294 HydrophobicContact CG-CB 4.45Å; K283-D294 IonicContact NZ-OD1 3.83Å | ||
| 284 | C | 89.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 142.3 | -177.5 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | C270 T274 G282 C286 D294 | C270-C284 WeakPolarHBondContact CA-SG 3.04Å; C270-C284 HydrophobicContact CB-CB 3.61Å; C270-C284 WeakPolarHBondContact CB-SG 3.36Å; C270-C284 WeakPolarHBondContact SG-CB 3.15Å; C270-C284 CovalentContact SG-SG 2.01Å; C270-C284 PolarHBondContact SG-SG 2.77Å; T274-C284 HydrophobicContact CG2-CB 3.85Å; G282-C284 PolarHBondContact O-N 2.8Å; C284-C286 PolarHBondContact O-N 2.79Å; C284-D294 VanDerWaalsContact CB-O 3.3Å; C284-D294 WeakPolarHBondContact CB-O 3.45Å; C284-D294 PolarHBondContact N-O 2.93Å; C284-D294 PolarHBondContact SG-O 3.26Å |
| 285 | F | 90.1 | Very high | 86.8 | Confident | 58 Ų | 58 | 52 Ų | 52 | 25% | 0.254 | 29% | 0.286 | S | S | . | . | trans | -93.8 | 90.6 | 170.9 | -63 | -63.7 | 0 | 0 | 0 | 110 | T274 L276 H278 T287 H335 | T274-F285 WeakPolarHBondContact CB-O 3.32Å; T274-F285 VanDerWaalsContact CG2-O 3.23Å; T274-F285 WeakPolarHBondContact CG2-O 3.35Å; T274-F285 PolarHBondContact OG1-O 2.92Å; T274-F285 VanDerWaalsContact OG1-O 3.07Å; L276-F285 HydrophobicContact CB-CD2 4.29Å; L276-F285 PolarHBondContact O-N 2.88Å; H278-F285 HydrophobicContact CB-CE2 4.3Å; H278-F285 HydrophobicContact CB-CZ 4.07Å; F285-T287 PolarHBondContact O-N 2.85Å; F285-H335 HydrophobicContact CB-CB 4.16Å; F285-H335 AromaticContact CD1-CD2 3.35Å; F285-H335 WeakPolarHBondContact CD1-CD2 3.49Å; F285-H335 AromaticContact CD1-NE2 3.14Å; F285-H335 WeakPolarHBondContact CD1-NE2 3.5Å; F285-H335 AromaticContact CD2-NE2 3.97Å; F285-H335 AromaticContact CE1-NE2 3.49Å; F285-H335 WeakPolarHBondContact CE1-NE2 3.43Å; F285-H335 AromaticContact CG-CD2 3.67Å; F285-H335 AromaticContact CG-CE1 3.82Å; F285-H335 AromaticContact CG-NE2 3.4Å; F285-H335 WeakPolarHBondContact CG-NE2 3.42Å | ||
| 286 | C | 92.1 | Very high | 87.3 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.081 | 26% | 0.255 | C | S | . | . | trans | -63.7 | 132 | -176.4 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | C284 V291 C296 Y336 | C284-C286 PolarHBondContact O-N 2.79Å; C286-V291 HydrophobicContact CB-CB 4.33Å; C286-V291 HydrophobicContact CB-CG1 4.39Å; C286-C296 WeakPolarHBondContact CA-SG 3.19Å; C286-C296 HydrophobicContact CB-CB 4.07Å; C286-C296 WeakPolarHBondContact CB-SG 3.36Å; C286-C296 WeakPolarHBondContact SG-CA 3.43Å; C286-C296 WeakPolarHBondContact SG-CB 3.46Å; C286-C296 CovalentContact SG-SG 2.04Å; C286-C296 PolarHBondContact SG-SG 2.87Å; C286-Y336 WeakPolarHBondContact O-CD1 3.47Å; C286-Y336 WeakPolarHBondContact O-CE1 3.05Å | ||
| 287 | T | 92.9 | Very high | 87.5 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | trans | -90.3 | -15.3 | -175.7 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | H273 F285 H335 Y336 T337 A338 | H273-T287 WeakPolarHBondContact O-CG2 3.49Å; H273-T287 PolarHBondContact O-OG1 3.36Å; F285-T287 PolarHBondContact O-N 2.85Å; T287-H335 WeakPolarHBondContact CA-O 3.33Å; T287-Y336 CarbonylContact O-C 3.56Å; T287-Y336 VanDerWaalsContact O-CA 3.26Å; T287-Y336 WeakPolarHBondContact O-CA 3.05Å; T287-T337 PolarHBondContact O-N 2.03Å; T287-A338 PolarHBondContact O-N 3.42Å; T287-A338 VanDerWaalsContact O-N 3.13Å | ||
| 288 | T | 93.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.1 | 179.6 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | G290 V291 A338 | T288-G290 PolarHBondContact O-N 2.8Å; T288-V291 HydrophobicContact CG2-CG2 4.08Å; T288-V291 PolarHBondContact O-N 2.82Å; T288-V291 VanDerWaalsContact O-N 3.12Å; T288-A338 CarbonylContact C-O 3.54Å; T288-A338 WeakPolarHBondContact CA-O 3.39Å; T288-A338 HydrophobicContact CG2-CB 4.4Å |
| 289 | K | 93.9 | Very high | 88 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 130.2 | 177.6 | -172 | 68.2 | 173.9 | -178 | 0 | 109.8 | Y305 L328 D333 Y336 A338 I339 | K289-Y305 VanDerWaalsContact CG-OH 3.32Å; K289-Y305 WeakPolarHBondContact CG-OH 3.43Å; K289-Y305 WeakPolarHBondContact O-CE1 3.32Å; K289-L328 HydrophobicContact CB-CD2 4.41Å; K289-L328 HydrophobicContact CD-CD2 3.92Å; K289-L328 HydrophobicContact CG-CD2 4.23Å; K289-D333 IonicContact NZ-OD1 2.81Å; K289-D333 PolarHBondContact NZ-OD1 3.46Å; K289-Y336 HydrophobicContact CB-CD1 4.16Å; K289-Y336 HydrophobicContact CB-CE1 4.45Å; K289-Y336 HydrophobicContact CB-CG 4.27Å; K289-Y336 HydrophobicContact CD-CD1 4.34Å; K289-Y336 HydrophobicContact CD-CD2 3.7Å; K289-Y336 HydrophobicContact CD-CE1 4.13Å; K289-Y336 HydrophobicContact CD-CE2 3.49Å; K289-Y336 VanDerWaalsContact CD-CE2 3.49Å; K289-Y336 HydrophobicContact CD-CG 4.15Å; K289-A338 PolarHBondContact N-O 2.87Å; K289-I339 HydrophobicContact CB-CB 4.11Å; K289-I339 HydrophobicContact CB-CD1 4.11Å; K289-I339 HydrophobicContact CB-CG1 4.05Å; K289-I339 HydrophobicContact CG-CD1 4.15Å |
| 290 | G | 90.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -10.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T288 C299 D300 Y305 | T288-G290 PolarHBondContact O-N 2.8Å; G290-C299 CarbonylContact O-C 3.54Å; G290-C299 WeakPolarHBondContact O-CA 3.46Å; G290-D300 WeakPolarHBondContact O-CB 3.41Å; G290-D300 PolarHBondContact O-N 2.9Å; G290-Y305 VanDerWaalsContact CA-CD1 3.5Å |
| 291 | V | 92.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.3 | 167.4 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | C286 T288 C296 P309 C314 | C286-V291 HydrophobicContact CB-CB 4.33Å; C286-V291 HydrophobicContact CB-CG1 4.39Å; T288-V291 HydrophobicContact CG2-CG2 4.08Å; T288-V291 PolarHBondContact O-N 2.82Å; T288-V291 VanDerWaalsContact O-N 3.12Å; V291-C296 HydrophobicContact CG1-CB 3.62Å; V291-C296 WeakPolarHBondContact CG1-O 3.3Å; V291-P309 HydrophobicContact CG1-CB 3.93Å; V291-P309 HydrophobicContact CG1-CG 4.4Å; V291-P309 HydrophobicContact CG2-CB 4.44Å; V291-C314 HydrophobicContact CG2-CB 4.02Å |
| 292 | K | 90.2 | Very high | 89.2 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 174 | -176.6 | -77 | -172.4 | 175.1 | 171.7 | 0 | 111.4 | C296 Q297 L298 D300 | K292-C296 CarbonylContact O-C 3.56Å; K292-C296 WeakPolarHBondContact O-CA 3.33Å; K292-Q297 PolarHBondContact O-N 2.89Å; K292-Q297 VanDerWaalsContact O-N 3.17Å; K292-L298 PolarHBondContact N-O 2.99Å; K292-L298 PolarHBondContact O-N 2.97Å; K292-L298 VanDerWaalsContact O-O 3.07Å; K292-D300 HydrophobicContact CD-CB 3.82Å; K292-D300 WeakPolarHBondContact CE-OD1 2.96Å; K292-D300 WeakPolarHBondContact CE-OD2 3.43Å; K292-D300 HydrophobicContact CG-CB 4.2Å; K292-D300 IonicContact NZ-OD1 3.56Å; K292-D300 PolarHBondContact NZ-OD1 2.67Å; K292-D300 IonicContact NZ-OD2 3.96Å; K292-D300 PolarHBondContact NZ-OD2 2.93Å |
| 293 | G | 88.3 | Confident | 89.2 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 102.1 | 160.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q295 C296 | G293-Q295 PolarHBondContact O-N 3.27Å; G293-C296 PolarHBondContact O-N 2.93Å; G293-C296 VanDerWaalsContact O-N 3.11Å |
| 294 | D | 88.4 | Confident | 89 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.5 | -174.3 | -63.7 | -30.5 | 0 | 0 | 0 | 113.6 | K283 C284 | K283-D294 WeakPolarHBondContact CE-OD1 3.44Å; K283-D294 HydrophobicContact CG-CB 4.45Å; K283-D294 IonicContact NZ-OD1 3.83Å; C284-D294 VanDerWaalsContact CB-O 3.3Å; C284-D294 WeakPolarHBondContact CB-O 3.45Å; C284-D294 PolarHBondContact N-O 2.93Å; C284-D294 PolarHBondContact SG-O 3.26Å |
| 295 | Q | 87.4 | Confident | 88.9 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 16.7 | 176.5 | -64.5 | -174 | -27.3 | 0 | 0 | 112.2 | K269 C270 N271 G293 Q297 | K269-Q295 VanDerWaalsContact O-CB 3.29Å; K269-Q295 WeakPolarHBondContact O-CB 3.31Å; K269-Q295 VanDerWaalsContact O-CG 3.24Å; K269-Q295 WeakPolarHBondContact O-CG 3.4Å; C270-Q295 CarbonylContact C-O 3.42Å; N271-Q295 PolarHBondContact ND2-O 3.08Å; G293-Q295 PolarHBondContact O-N 3.27Å; Q295-Q297 VanDerWaalsContact C-N 3.31Å; Q295-Q297 PolarHBondContact O-N 2.89Å |
| 296 | C | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 58.3 | 40.2 | -174.6 | -54 | 0 | 0 | 0 | 0 | 113.2 | H273 C286 V291 K292 G293 | H273-C296 HydrophobicContact CB-CB 3.72Å; C286-C296 WeakPolarHBondContact CA-SG 3.19Å; C286-C296 HydrophobicContact CB-CB 4.07Å; C286-C296 WeakPolarHBondContact CB-SG 3.36Å; C286-C296 WeakPolarHBondContact SG-CA 3.43Å; C286-C296 WeakPolarHBondContact SG-CB 3.46Å; C286-C296 CovalentContact SG-SG 2.04Å; C286-C296 PolarHBondContact SG-SG 2.87Å; V291-C296 HydrophobicContact CG1-CB 3.62Å; V291-C296 WeakPolarHBondContact CG1-O 3.3Å; K292-C296 CarbonylContact O-C 3.56Å; K292-C296 WeakPolarHBondContact O-CA 3.33Å; G293-C296 PolarHBondContact O-N 2.93Å; G293-C296 VanDerWaalsContact O-N 3.11Å |
| 297 | Q | 88.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 56 Ų | 56 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | trans | -100 | -4.7 | -172.2 | 76.2 | -77.4 | 16.5 | 0 | 0 | 115 | K292 Q295 P309 L310 | K292-Q297 PolarHBondContact O-N 2.89Å; K292-Q297 VanDerWaalsContact O-N 3.17Å; Q295-Q297 VanDerWaalsContact C-N 3.31Å; Q295-Q297 PolarHBondContact O-N 2.89Å; Q297-P309 WeakPolarHBondContact O-CG 3.47Å; Q297-L310 HydrophobicContact CB-CD2 3.93Å | ||
| 298 | L | 89.8 | Confident | 87.9 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 53% | 0.534 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.1 | -177.2 | -58.2 | 174.4 | 0 | 0 | 0 | 111.2 | K292 | K292-L298 PolarHBondContact N-O 2.99Å; K292-L298 PolarHBondContact O-N 2.97Å; K292-L298 VanDerWaalsContact O-O 3.07Å |
| 299 | C | 90.1 | Very high | 87.5 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 149.4 | 164.1 | -65 | 0 | 0 | 0 | 0 | 110.9 | G290 S301 G307 C314 | G290-C299 CarbonylContact O-C 3.54Å; G290-C299 WeakPolarHBondContact O-CA 3.46Å; C299-S301 VanDerWaalsContact C-N 3.26Å; C299-S301 PolarHBondContact O-N 2.89Å; C299-G307 VanDerWaalsContact SG-C 3.51Å; C299-G307 PolarHBondContact SG-O 2.69Å; C299-G307 VanDerWaalsContact SG-O 3.38Å; C299-C314 WeakPolarHBondContact CA-SG 3.43Å; C299-C314 HydrophobicContact CB-CB 3.87Å; C299-C314 WeakPolarHBondContact CB-SG 3.36Å; C299-C314 VanDerWaalsContact SG-CA 3.59Å; C299-C314 WeakPolarHBondContact SG-CB 3.48Å; C299-C314 CovalentContact SG-SG 2.03Å; C299-C314 PolarHBondContact SG-SG 2.68Å |
| 300 | D | 88.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | trans | -76.2 | 73.3 | 176.8 | -168.3 | 13.8 | 0 | 0 | 0 | 111.7 | G290 K292 E302 N303 Y305 | G290-D300 WeakPolarHBondContact O-CB 3.41Å; G290-D300 PolarHBondContact O-N 2.9Å; K292-D300 HydrophobicContact CD-CB 3.82Å; K292-D300 WeakPolarHBondContact CE-OD1 2.96Å; K292-D300 WeakPolarHBondContact CE-OD2 3.43Å; K292-D300 HydrophobicContact CG-CB 4.2Å; K292-D300 IonicContact NZ-OD1 3.56Å; K292-D300 PolarHBondContact NZ-OD1 2.67Å; K292-D300 IonicContact NZ-OD2 3.96Å; K292-D300 PolarHBondContact NZ-OD2 2.93Å; D300-E302 PolarHBondContact O-N 3.09Å; D300-N303 CarbonylContact O-C 3.59Å; D300-N303 PolarHBondContact O-N 2.75Å; D300-N303 VanDerWaalsContact O-N 3.08Å; D300-N303 PolarHBondContact OD1-ND2 3.12Å; D300-N303 PolarHBondContact OD2-ND2 2.87Å; D300-Y305 HydrophobicContact CB-CD2 3.94Å; D300-Y305 HydrophobicContact CB-CG 4.39Å; D300-Y305 WeakPolarHBondContact O-CB 3.2Å; D300-Y305 PolarHBondContact O-N 2.86Å; D300-Y305 VanDerWaalsContact O-N 3.12Å | ||
| 301 | S | 84.7 | Confident | 86.3 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -60.8 | -30 | -178.1 | 55 | 0 | 0 | 0 | 0 | 112.9 | C299 N303 R304 | C299-S301 VanDerWaalsContact C-N 3.26Å; C299-S301 PolarHBondContact O-N 2.89Å; S301-N303 PolarHBondContact O-N 3.47Å; S301-R304 PolarHBondContact O-N 3.27Å; S301-R304 VanDerWaalsContact O-N 3.14Å |
| 302 | E | 83.3 | Confident | 85.9 | Confident | 165 Ų | 165 | 72 Ų | 72 | 77% | 0.771 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -59 | -36.1 | 175.4 | -63.7 | -179.5 | 170.7 | 0 | 0 | 111.9 | D300 | D300-E302 PolarHBondContact O-N 3.09Š|
| 303 | N | 81.8 | Confident | 85.8 | Confident | 85 Ų | 85 | 69 Ų | 69 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -101.8 | 27.8 | 178.8 | -66.7 | -62 | 0 | 0 | 0 | 112.8 | D300 S301 Y305 Y316 | D300-N303 CarbonylContact O-C 3.59Å; D300-N303 PolarHBondContact O-N 2.75Å; D300-N303 VanDerWaalsContact O-N 3.08Å; D300-N303 PolarHBondContact OD1-ND2 3.12Å; D300-N303 PolarHBondContact OD2-ND2 2.87Å; S301-N303 PolarHBondContact O-N 3.47Å; N303-Y305 VanDerWaalsContact C-N 3.26Å; N303-Y305 HydrophobicContact CB-CD2 4.05Å; N303-Y305 HydrophobicContact CB-CE2 4.15Å; N303-Y305 WeakPolarHBondContact O-CD2 3.32Å; N303-Y305 PolarHBondContact O-N 3.21Å; N303-Y316 WeakPolarHBondContact O-CD2 3.44Å; N303-Y316 VanDerWaalsContact O-CE2 3.26Å; N303-Y316 WeakPolarHBondContact O-CE2 3.42Å |
| 304 | R | 84.1 | Confident | 85.9 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 56% | 0.562 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.5 | 175.3 | -53.3 | 177.9 | 176.2 | 172.3 | -2.1 | 114.9 | S301 Y316 | S301-R304 PolarHBondContact O-N 3.27Å; S301-R304 VanDerWaalsContact O-N 3.14Å; R304-Y316 HydrophobicContact CB-CE2 4.22Å |
| 305 | Y | 86.9 | Confident | 86.1 | Confident | 10 Ų | 10 | 64 Ų | 64 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.9 | 168 | -71.9 | -93.6 | 0 | 0 | 0 | 110.4 | K289 G290 D300 N303 C314 Y315 Y316 I339 | K289-Y305 VanDerWaalsContact CG-OH 3.32Å; K289-Y305 WeakPolarHBondContact CG-OH 3.43Å; K289-Y305 WeakPolarHBondContact O-CE1 3.32Å; G290-Y305 VanDerWaalsContact CA-CD1 3.5Å; D300-Y305 HydrophobicContact CB-CD2 3.94Å; D300-Y305 HydrophobicContact CB-CG 4.39Å; D300-Y305 WeakPolarHBondContact O-CB 3.2Å; D300-Y305 PolarHBondContact O-N 2.86Å; D300-Y305 VanDerWaalsContact O-N 3.12Å; N303-Y305 VanDerWaalsContact C-N 3.26Å; N303-Y305 HydrophobicContact CB-CD2 4.05Å; N303-Y305 HydrophobicContact CB-CE2 4.15Å; N303-Y305 WeakPolarHBondContact O-CD2 3.32Å; N303-Y305 PolarHBondContact O-N 3.21Å; Y305-C314 HydrophobicContact CD1-CB 4.39Å; Y305-Y315 CarbonylContact C-O 3.57Å; Y305-Y315 WeakPolarHBondContact CA-O 3.35Å; Y305-Y316 HydrophobicContact CD2-CD2 4.2Å; Y305-Y316 HydrophobicContact CE1-CD2 4.33Å; Y305-Y316 HydrophobicContact CE1-CG 4.49Å; Y305-Y316 AromaticContact CE2-CD2 3.83Å; Y305-Y316 HydrophobicContact CE2-CD2 3.83Å; Y305-Y316 AromaticContact CZ-CD2 3.9Å; Y305-I339 WeakPolarHBondContact OH-CD1 3.43Å |
| 306 | L | 86 | Confident | 86.3 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 158.3 | -178.6 | -28.3 | 173.6 | 0 | 0 | 0 | 109.9 | C314 Y315 N317 V342 | L306-C314 CarbonylContact O-C 3.59Å; L306-C314 WeakPolarHBondContact O-CA 3.29Å; L306-Y315 PolarHBondContact N-O 2.88Å; L306-Y315 PolarHBondContact O-N 3.11Å; L306-N317 HydrophobicContact CD1-CB 3.87Å; L306-N317 HydrophobicContact CG-CB 4.26Å; L306-V342 HydrophobicContact CD1-CG1 4.19Å |
| 307 | G | 83.9 | Confident | 86.2 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.1 | -163.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | C299 | C299-G307 VanDerWaalsContact SG-C 3.51Å; C299-G307 PolarHBondContact SG-O 2.69Å; C299-G307 VanDerWaalsContact SG-O 3.38Å |
| 308 | N | 83.2 | Confident | 86.2 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -143.1 | 111.1 | -177.6 | -174.5 | -17.7 | 0 | 0 | 0 | 110.3 | L310 R311 G312 T313 | N308-L310 PolarHBondContact O-N 2.94Å; N308-L310 VanDerWaalsContact OD1-CB 3.3Å; N308-L310 WeakPolarHBondContact OD1-CB 3.34Å; N308-L310 PolarHBondContact OD1-N 2.76Å; N308-R311 PolarHBondContact O-N 2.73Å; N308-G312 CarbonylContact O-C 3.48Å; N308-G312 WeakPolarHBondContact O-CA 3.31Å; N308-G312 PolarHBondContact O-N 2.84Å; N308-T313 PolarHBondContact N-O 2.77Å | ||
| 309 | P | 84.9 | Confident | 86 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.4 | -177.8 | 31.6 | -34.8 | 0 | 0 | 0 | 113 | H273 V291 Q297 G312 | H273-P309 WeakPolarHBondContact NE2-CB 3.39Å; H273-P309 PolarHBondContact NE2-O 3.39Å; V291-P309 HydrophobicContact CG1-CB 3.93Å; V291-P309 HydrophobicContact CG1-CG 4.4Å; V291-P309 HydrophobicContact CG2-CB 4.44Å; Q297-P309 WeakPolarHBondContact O-CG 3.47Å; P309-G312 CarbonylContact C-O 3.57Å; P309-G312 WeakPolarHBondContact CA-O 3.45Å |
| 310 | L | 82.4 | Confident | 85.7 | Confident | 104 Ų | 104 | 60.1 Ų | 60.1 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.8 | 175.9 | -60.1 | 177.5 | 0 | 0 | 0 | 113 | N271 Q297 N308 | N271-L310 HydrophobicContact CB-CD2 4.3Å; Q297-L310 HydrophobicContact CB-CD2 3.93Å; N308-L310 PolarHBondContact O-N 2.94Å; N308-L310 VanDerWaalsContact OD1-CB 3.3Å; N308-L310 WeakPolarHBondContact OD1-CB 3.34Å; N308-L310 PolarHBondContact OD1-N 2.76Å |
| 311 | R | 78.3 | Confident | 85.4 | Confident | 223 Ų | 223 | 64.1 Ų | 64.1 | 84% | 0.842 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 6 | 179.8 | -57.8 | -167.8 | 83.2 | 172.1 | 4.7 | 113.1 | N308 | N308-R311 PolarHBondContact O-N 2.73Š|
| 312 | G | 83.4 | Confident | 85.4 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 176.4 | -131 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N308 P309 | N308-G312 CarbonylContact O-C 3.48Å; N308-G312 WeakPolarHBondContact O-CA 3.31Å; N308-G312 PolarHBondContact O-N 2.84Å; P309-G312 CarbonylContact C-O 3.57Å; P309-G312 WeakPolarHBondContact CA-O 3.45Å |
| 313 | T | 88.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 10% | 0.104 | 31% | 0.311 | C | S | . | . | trans | -139.5 | -179.1 | 178.8 | -168.2 | 0 | 0 | 0 | 0 | 111 | N308 Y315 N340 Y415 | N308-T313 PolarHBondContact N-O 2.77Å; T313-Y315 HydrophobicContact CG2-CD1 4.5Å; T313-Y315 HydrophobicContact CG2-CD2 4.28Å; T313-Y315 HydrophobicContact CG2-CE1 3.85Å; T313-Y315 HydrophobicContact CG2-CE2 3.58Å; T313-Y315 WeakPolarHBondContact CG2-OH 3.41Å; T313-Y315 WeakPolarHBondContact O-CE2 3.36Å; T313-N340 HydrophobicContact CG2-CB 4.49Å; T313-N340 VanDerWaalsContact CG2-ND2 3.28Å; T313-N340 WeakPolarHBondContact CG2-ND2 3.38Å; T313-N340 PolarHBondContact OG1-ND2 3.48Å; T313-N340 VanDerWaalsContact OG1-ND2 3.11Å; T313-Y415 HydrophobicContact CG2-CE1 4.36Å | ||
| 314 | C | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.4 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | V291 C299 Y305 L306 | V291-C314 HydrophobicContact CG2-CB 4.02Å; C299-C314 WeakPolarHBondContact CA-SG 3.43Å; C299-C314 HydrophobicContact CB-CB 3.87Å; C299-C314 WeakPolarHBondContact CB-SG 3.36Å; C299-C314 VanDerWaalsContact SG-CA 3.59Å; C299-C314 WeakPolarHBondContact SG-CB 3.48Å; C299-C314 CovalentContact SG-SG 2.03Å; C299-C314 PolarHBondContact SG-SG 2.68Å; Y305-C314 HydrophobicContact CD1-CB 4.39Å; L306-C314 CarbonylContact O-C 3.59Å; L306-C314 WeakPolarHBondContact O-CA 3.29Å |
| 315 | Y | 91.5 | Very high | 86.4 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.3 | -176.5 | -57.3 | -94.5 | 0 | 0 | 0 | 109.9 | Y305 L306 T313 N340 V342 Y413 Y415 | Y305-Y315 CarbonylContact C-O 3.57Å; Y305-Y315 WeakPolarHBondContact CA-O 3.35Å; L306-Y315 PolarHBondContact N-O 2.88Å; L306-Y315 PolarHBondContact O-N 3.11Å; T313-Y315 HydrophobicContact CG2-CD1 4.5Å; T313-Y315 HydrophobicContact CG2-CD2 4.28Å; T313-Y315 HydrophobicContact CG2-CE1 3.85Å; T313-Y315 HydrophobicContact CG2-CE2 3.58Å; T313-Y315 WeakPolarHBondContact CG2-OH 3.41Å; T313-Y315 WeakPolarHBondContact O-CE2 3.36Å; Y315-N340 WeakPolarHBondContact CA-O 3.39Å; Y315-N340 HydrophobicContact CD1-CB 3.65Å; Y315-N340 HydrophobicContact CE1-CB 4.02Å; Y315-N340 HydrophobicContact CG-CB 4.4Å; Y315-V342 HydrophobicContact CG-CB 4.5Å; Y315-Y413 AromaticContact CD1-CD1 3.85Å; Y315-Y413 HydrophobicContact CD1-CD1 3.85Å; Y315-Y413 AromaticContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CE1 4.26Å; Y315-Y413 HydrophobicContact CE1-CG 4.33Å; Y315-Y413 HydrophobicContact CG-CD1 4.5Å; Y315-Y415 HydrophobicContact CE1-CD1 4.46Å; Y315-Y415 AromaticContact CE1-CE1 3.58Å; Y315-Y415 HydrophobicContact CE1-CE1 3.58Å; Y315-Y415 AromaticContact CE1-CZ 3.82Å; Y315-Y415 PolarHBondContact OH-OH 3.49Å |
| 316 | Y | 92.5 | Very high | 86.7 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.9 | 170 | -175 | -85 | 0 | 0 | 0 | 109.9 | N303 R304 Y305 L318 F324 F326 N340 F341 V342 | N303-Y316 WeakPolarHBondContact O-CD2 3.44Å; N303-Y316 VanDerWaalsContact O-CE2 3.26Å; N303-Y316 WeakPolarHBondContact O-CE2 3.42Å; R304-Y316 HydrophobicContact CB-CE2 4.22Å; Y305-Y316 HydrophobicContact CD2-CD2 4.2Å; Y305-Y316 HydrophobicContact CE1-CD2 4.33Å; Y305-Y316 HydrophobicContact CE1-CG 4.49Å; Y305-Y316 AromaticContact CE2-CD2 3.83Å; Y305-Y316 HydrophobicContact CE2-CD2 3.83Å; Y305-Y316 AromaticContact CZ-CD2 3.9Å; Y316-L318 HydrophobicContact CD1-CD2 3.94Å; Y316-L318 HydrophobicContact CE1-CD2 4.21Å; Y316-L318 PolarHBondContact O-N 3.17Å; Y316-F324 HydrophobicContact CE1-CD1 4.02Å; Y316-F324 HydrophobicContact CE1-CE1 4.12Å; Y316-F324 HydrophobicContact CE1-CG 4.33Å; Y316-F324 WeakPolarHBondContact OH-CE1 3.38Å; Y316-F326 HydrophobicContact CD1-CE1 4.36Å; Y316-F326 AromaticContact CD1-CZ 3.63Å; Y316-F326 HydrophobicContact CD1-CZ 3.63Å; Y316-F326 AromaticContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CZ 4.05Å; Y316-F326 HydrophobicContact CE1-CE1 4.43Å; Y316-F326 AromaticContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE2-CE1 4.01Å; Y316-F326 HydrophobicContact CE2-CZ 4.1Å; Y316-F326 HydrophobicContact CG-CE1 4.1Å; Y316-F326 AromaticContact CG-CZ 3.8Å; Y316-F326 HydrophobicContact CG-CZ 3.8Å; Y316-F326 AromaticContact CZ-CZ 3.92Å; Y316-N340 PolarHBondContact N-O 3.37Å; Y316-F341 HydrophobicContact CD1-CD1 4.29Å; Y316-F341 HydrophobicContact CG-CD1 4.47Å; Y316-F341 WeakPolarHBondContact O-CA 3.4Å; Y316-V342 PolarHBondContact O-N 3.19Å |
| 317 | N | 88.2 | Confident | 87.1 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.3 | 179.1 | -167.7 | 18.3 | 0 | 0 | 0 | 111.7 | L306 V342 | L306-N317 HydrophobicContact CD1-CB 3.87Å; L306-N317 HydrophobicContact CG-CB 4.26Å; N317-V342 HydrophobicContact CB-CG1 4.28Å |
| 318 | L | 88.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 120.5 | 175.8 | -65.7 | 176.5 | 0 | 0 | 0 | 110.1 | Y316 F324 F341 V342 A343 M354 V427 | Y316-L318 HydrophobicContact CD1-CD2 3.94Å; Y316-L318 HydrophobicContact CE1-CD2 4.21Å; Y316-L318 PolarHBondContact O-N 3.17Å; L318-F324 HydrophobicContact CD2-CB 4.42Å; L318-F324 HydrophobicContact CD2-CD2 3.62Å; L318-F324 HydrophobicContact CD2-CE2 4.19Å; L318-F324 HydrophobicContact CD2-CG 4.18Å; L318-F341 HydrophobicContact CD1-CB 3.51Å; L318-F341 HydrophobicContact CD1-CD1 4.22Å; L318-F341 HydrophobicContact CD1-CG 3.93Å; L318-F341 HydrophobicContact CD2-CD1 3.88Å; L318-F341 HydrophobicContact CD2-CG 4.42Å; L318-F341 HydrophobicContact CG-CB 3.83Å; L318-F341 HydrophobicContact CG-CD1 4.1Å; L318-F341 HydrophobicContact CG-CG 4.24Å; L318-V342 PolarHBondContact N-O 2.85Å; L318-A343 HydrophobicContact CB-CB 4.34Å; L318-M354 HydrophobicContact CD1-CE 4.14Å; L318-V427 HydrophobicContact CD1-CG1 4.27Å; L318-V427 HydrophobicContact CD1-CG2 3.75Å; L318-V427 HydrophobicContact CD2-CG1 3.63Å |
| 319 | L | 85.1 | Confident | 87.8 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 127.7 | 167.2 | -58.2 | 177.2 | 0 | 0 | 0 | 108.9 | Y322 F324 | L319-Y322 HydrophobicContact CB-CD2 3.74Å; L319-Y322 HydrophobicContact CB-CE2 4.48Å; L319-Y322 HydrophobicContact CB-CG 4.27Å; L319-Y322 PolarHBondContact O-N 2.91Å; L319-F324 HydrophobicContact CB-CE2 4.11Å; L319-F324 HydrophobicContact CB-CZ 3.95Å; L319-F324 HydrophobicContact CD1-CZ 4.28Å; L319-F324 HydrophobicContact CG-CZ 4.1Å |
| 320 | I | 83.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 149.4 | 178.2 | -45.6 | -61.7 | 0 | 0 | 0 | 110.2 | Y322 A343 L352 I431 | I320-Y322 WeakPolarHBondContact O-CD2 3.33Å; I320-Y322 PolarHBondContact O-N 3.12Å; I320-A343 HydrophobicContact CD1-CB 3.95Å; I320-L352 HydrophobicContact CD1-CD1 4.1Å; I320-L352 HydrophobicContact CG2-CD1 4.2Å; I320-I431 HydrophobicContact CB-CD1 4Å; I320-I431 HydrophobicContact CG1-CD1 4.23Å; I320-I431 HydrophobicContact CG2-CB 4.09Å; I320-I431 HydrophobicContact CG2-CD1 3.31Å; I320-I431 HydrophobicContact CG2-CG1 3.41Å; I320-I431 VanDerWaalsContact CG2-CG1 3.41Å |
| 321 | D | 83.4 | Confident | 88.2 | Confident | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 4.4 | -172.3 | -55.4 | -38.8 | 0 | 0 | 0 | 115 | G429 E430 I431 | D321-G429 WeakPolarHBondContact CA-O 3.1Å; D321-G429 PolarHBondContact N-O 3.46Å; D321-E430 WeakPolarHBondContact OD1-CA 2.82Å; D321-I431 PolarHBondContact OD1-N 3.36Å |
| 322 | Y | 84.8 | Confident | 88.5 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | trans | -104.7 | 145.3 | 171.8 | -72.5 | -93.5 | 0 | 0 | 0 | 112.1 | L319 I320 | L319-Y322 HydrophobicContact CB-CD2 3.74Å; L319-Y322 HydrophobicContact CB-CE2 4.48Å; L319-Y322 HydrophobicContact CB-CG 4.27Å; L319-Y322 PolarHBondContact O-N 2.91Å; I320-Y322 WeakPolarHBondContact O-CD2 3.33Å; I320-Y322 PolarHBondContact O-N 3.12Å | ||
| 323 | Q | 87.5 | Confident | 88.7 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124 | 169.5 | -178.2 | 175.1 | -22.7 | 0 | 0 | 109.7 | R428 | Q323-R428 HydrophobicContact CB-CB 4.23Å; Q323-R428 HydrophobicContact CB-CG 4.03Å; Q323-R428 HydrophobicContact CG-CB 4.28Å |
| 324 | F | 90.6 | Very high | 88.7 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.4 | 174.8 | -65.4 | -86.4 | 0 | 0 | 0 | 110.2 | Y316 L318 L319 F326 Q426 V427 | Y316-F324 HydrophobicContact CE1-CD1 4.02Å; Y316-F324 HydrophobicContact CE1-CE1 4.12Å; Y316-F324 HydrophobicContact CE1-CG 4.33Å; Y316-F324 WeakPolarHBondContact OH-CE1 3.38Å; L318-F324 HydrophobicContact CD2-CB 4.42Å; L318-F324 HydrophobicContact CD2-CD2 3.62Å; L318-F324 HydrophobicContact CD2-CE2 4.19Å; L318-F324 HydrophobicContact CD2-CG 4.18Å; L319-F324 HydrophobicContact CB-CE2 4.11Å; L319-F324 HydrophobicContact CB-CZ 3.95Å; L319-F324 HydrophobicContact CD1-CZ 4.28Å; L319-F324 HydrophobicContact CG-CZ 4.1Å; F324-F326 HydrophobicContact CB-CD2 4.42Å; F324-F326 HydrophobicContact CB-CE2 3.64Å; F324-F326 HydrophobicContact CB-CZ 4.18Å; F324-Q426 VanDerWaalsContact O-CA 3.32Å; F324-Q426 WeakPolarHBondContact O-CA 3.28Å; F324-V427 HydrophobicContact CB-CG1 4.05Å; F324-V427 PolarHBondContact N-O 2.97Å; F324-V427 PolarHBondContact O-N 2.83Å |
| 325 | T | 92.4 | Very high | 88.7 | Confident | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 115.3 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | I425 Q426 | T325-I425 CarbonylContact C-O 3.52Å; T325-I425 WeakPolarHBondContact CA-O 3.06Å; T325-Q426 HydrophobicContact CG2-CG 3.98Å; T325-Q426 PolarHBondContact OG1-NE2 2.96Å |
| 326 | F | 93.1 | Very high | 88.8 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.2 | 175.9 | -62.5 | -91.1 | 0 | 0 | 0 | 109 | Y316 F324 L328 I339 F341 K424 I425 V427 | Y316-F326 HydrophobicContact CD1-CE1 4.36Å; Y316-F326 AromaticContact CD1-CZ 3.63Å; Y316-F326 HydrophobicContact CD1-CZ 3.63Å; Y316-F326 AromaticContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CZ 4.05Å; Y316-F326 HydrophobicContact CE1-CE1 4.43Å; Y316-F326 AromaticContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE2-CE1 4.01Å; Y316-F326 HydrophobicContact CE2-CZ 4.1Å; Y316-F326 HydrophobicContact CG-CE1 4.1Å; Y316-F326 AromaticContact CG-CZ 3.8Å; Y316-F326 HydrophobicContact CG-CZ 3.8Å; Y316-F326 AromaticContact CZ-CZ 3.92Å; F324-F326 HydrophobicContact CB-CD2 4.42Å; F324-F326 HydrophobicContact CB-CE2 3.64Å; F324-F326 HydrophobicContact CB-CZ 4.18Å; F326-L328 HydrophobicContact CB-CD1 4.33Å; F326-I339 HydrophobicContact CB-CD1 4.5Å; F326-I339 HydrophobicContact CD1-CD1 3.84Å; F326-I339 HydrophobicContact CD2-CD1 4.49Å; F326-I339 HydrophobicContact CE1-CD1 4.18Å; F326-I339 HydrophobicContact CG-CD1 4.01Å; F326-F341 AromaticContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CZ 4.09Å; F326-F341 HydrophobicContact CE1-CE1 4.37Å; F326-F341 HydrophobicContact CE2-CD1 4.29Å; F326-F341 AromaticContact CE2-CE1 3.37Å; F326-F341 HydrophobicContact CE2-CE1 3.37Å; F326-F341 AromaticContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CZ-CD1 4.38Å; F326-F341 AromaticContact CZ-CE1 3.64Å; F326-F341 HydrophobicContact CZ-CE1 3.64Å; F326-K424 CarbonylContact O-C 3.52Å; F326-K424 VanDerWaalsContact O-CA 3.32Å; F326-K424 WeakPolarHBondContact O-CA 3.3Å; F326-I425 HydrophobicContact CB-CB 4.47Å; F326-I425 PolarHBondContact N-O 3.42Å; F326-I425 PolarHBondContact O-N 3.11Å; F326-V427 HydrophobicContact CD2-CG1 4.38Å; F326-V427 HydrophobicContact CE2-CG1 3.89Å |
| 327 | S | 93.2 | Very high | 88.8 | Confident | 63 Ų | 63 | 71.5 Ų | 71.5 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 99.8 | 178.7 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | L329 | S327-L329 PolarHBondContact O-N 2.8Å |
| 328 | L | 92.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 84.5 | 176.3 | -60.3 | 107 | 0 | 0 | 0 | 108.6 | K289 F326 D333 Y336 W421 P422 I423 I425 | K289-L328 HydrophobicContact CB-CD2 4.41Å; K289-L328 HydrophobicContact CD-CD2 3.92Å; K289-L328 HydrophobicContact CG-CD2 4.23Å; F326-L328 HydrophobicContact CB-CD1 4.33Å; L328-D333 HydrophobicContact CB-CB 4.07Å; L328-D333 HydrophobicContact CD2-CB 4.31Å; L328-Y336 HydrophobicContact CD2-CD2 3.81Å; L328-Y336 HydrophobicContact CD2-CG 4.18Å; L328-W421 VanDerWaalsContact O-CD1 3.25Å; L328-W421 PolarHBondContact O-NE1 2.92Å; L328-P422 WeakPolarHBondContact O-CA 3.07Å; L328-I423 HydrophobicContact CB-CG2 4.07Å; L328-I423 HydrophobicContact CD1-CG2 3.76Å; L328-I423 PolarHBondContact N-O 3.05Å; L328-I423 PolarHBondContact O-N 2.83Å; L328-I425 HydrophobicContact CD1-CD1 4.32Å |
| 329 | L | 90.6 | Very high | 89.5 | Confident | 87 Ų | 87 | 69 Ų | 69 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | trans | -122.3 | -10.8 | -174 | -56.4 | 179.4 | 0 | 0 | 0 | 113.2 | S327 W421 P422 K424 | S327-L329 PolarHBondContact O-N 2.8Å; L329-W421 WeakPolarHBondContact O-CZ2 3.36Å; L329-P422 HydrophobicContact CD2-CB 3.89Å; L329-K424 HydrophobicContact CD2-CG 4.32Å | ||
| 330 | Q | 89.7 | Confident | 89.9 | Confident | 132 Ų | 132 | 66 Ų | 66 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -82.7 | 152.5 | -176.8 | -61.9 | -175.5 | -23.9 | 0 | 0 | 110.3 | D332 D333 W421 | Q330-D332 PolarHBondContact O-N 2.81Å; Q330-D333 PolarHBondContact N-OD2 2.87Å; Q330-D333 WeakPolarHBondContact O-CB 3.31Å; Q330-D333 PolarHBondContact O-N 3.13Å; Q330-W421 PolarHBondContact O-NE1 3.27Å |
| 331 | E | 85.3 | Confident | 90.4 | Very high | 151 Ų | 151 | 64.7 Ų | 64.7 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -59.8 | -31.4 | 177.5 | -71.1 | -170.1 | 170.4 | 0 | 0 | 112.4 | D333 R334 | E331-D333 PolarHBondContact O-N 3.28Å; E331-R334 WeakPolarHBondContact O-CB 3.32Å; E331-R334 WeakPolarHBondContact O-CD 3.23Å; E331-R334 WeakPolarHBondContact O-CG 3.38Å; E331-R334 PolarHBondContact O-N 3.23Å; E331-R334 VanDerWaalsContact O-N 3.16Å |
| 332 | D | 84.6 | Confident | 90.7 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -65.2 | -23.1 | 175.4 | -67.9 | -29.8 | 0 | 0 | 0 | 112.7 | Q330 R334 | Q330-D332 PolarHBondContact O-N 2.81Å; D332-R334 VanDerWaalsContact C-N 3.31Å |
| 333 | D | 87.3 | Confident | 90.7 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -83.6 | -4.7 | 178.1 | -65.4 | -50.4 | 0 | 0 | 0 | 113.3 | K289 L328 Q330 E331 H335 Y336 | K289-D333 IonicContact NZ-OD1 2.81Å; K289-D333 PolarHBondContact NZ-OD1 3.46Å; L328-D333 HydrophobicContact CB-CB 4.07Å; L328-D333 HydrophobicContact CD2-CB 4.31Å; Q330-D333 PolarHBondContact N-OD2 2.87Å; Q330-D333 WeakPolarHBondContact O-CB 3.31Å; Q330-D333 PolarHBondContact O-N 3.13Å; E331-D333 PolarHBondContact O-N 3.28Å; D333-H335 PolarHBondContact O-N 2.92Å; D333-Y336 VanDerWaalsContact CA-CD2 3.49Å; D333-Y336 HydrophobicContact CB-CD2 3.8Å; D333-Y336 HydrophobicContact CB-CE2 4.21Å; D333-Y336 WeakPolarHBondContact O-CD2 3.48Å; D333-Y336 PolarHBondContact O-N 3.2Å; D333-Y336 WeakPolarHBondContact OD1-CD2 3.29Å; D333-Y336 VanDerWaalsContact OD1-CE2 3.23Å; D333-Y336 WeakPolarHBondContact OD1-CE2 3.47Å |
| 334 | R | 89 | Confident | 90.4 | Very high | 140 Ų | 140 | 52.1 Ų | 52.1 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.3 | -171.6 | 73.3 | -172.3 | -170.2 | -171.4 | 2.6 | 114.8 | E331 D332 W421 | E331-R334 WeakPolarHBondContact O-CB 3.32Å; E331-R334 WeakPolarHBondContact O-CD 3.23Å; E331-R334 WeakPolarHBondContact O-CG 3.38Å; E331-R334 PolarHBondContact O-N 3.23Å; E331-R334 VanDerWaalsContact O-N 3.16Å; D332-R334 VanDerWaalsContact C-N 3.31Å; R334-W421 HydrophobicContact CB-CD2 4.22Å; R334-W421 HydrophobicContact CB-CE3 4.35Å; R334-W421 HydrophobicContact CB-CG 4.43Å |
| 335 | H | 88.8 | Confident | 89.6 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -10.7 | -175.4 | -60.8 | -64.4 | 0 | 0 | 0 | 112.8 | F285 T287 D333 T337 | F285-H335 HydrophobicContact CB-CB 4.16Å; F285-H335 AromaticContact CD1-CD2 3.35Å; F285-H335 WeakPolarHBondContact CD1-CD2 3.49Å; F285-H335 AromaticContact CD1-NE2 3.14Å; F285-H335 WeakPolarHBondContact CD1-NE2 3.5Å; F285-H335 AromaticContact CD2-NE2 3.97Å; F285-H335 AromaticContact CE1-NE2 3.49Å; F285-H335 WeakPolarHBondContact CE1-NE2 3.43Å; F285-H335 AromaticContact CG-CD2 3.67Å; F285-H335 AromaticContact CG-CE1 3.82Å; F285-H335 AromaticContact CG-NE2 3.4Å; F285-H335 WeakPolarHBondContact CG-NE2 3.42Å; T287-H335 WeakPolarHBondContact CA-O 3.33Å; D333-H335 PolarHBondContact O-N 2.92Å; H335-T337 PolarHBondContact O-N 3.43Å |
| 336 | Y | 93.8 | Very high | 88.4 | Confident | 32 Ų | 32 | 57 Ų | 57 | 13% | 0.125 | 29% | 0.287 | C | S | . | . | trans | -75.7 | 127.3 | 178.7 | -62.8 | -57.4 | 0 | 0 | 0 | 111.2 | C286 T287 K289 L328 D333 F419 | C286-Y336 WeakPolarHBondContact O-CD1 3.47Å; C286-Y336 WeakPolarHBondContact O-CE1 3.05Å; T287-Y336 CarbonylContact O-C 3.56Å; T287-Y336 VanDerWaalsContact O-CA 3.26Å; T287-Y336 WeakPolarHBondContact O-CA 3.05Å; K289-Y336 HydrophobicContact CB-CD1 4.16Å; K289-Y336 HydrophobicContact CB-CE1 4.45Å; K289-Y336 HydrophobicContact CB-CG 4.27Å; K289-Y336 HydrophobicContact CD-CD1 4.34Å; K289-Y336 HydrophobicContact CD-CD2 3.7Å; K289-Y336 HydrophobicContact CD-CE1 4.13Å; K289-Y336 HydrophobicContact CD-CE2 3.49Å; K289-Y336 VanDerWaalsContact CD-CE2 3.49Å; K289-Y336 HydrophobicContact CD-CG 4.15Å; L328-Y336 HydrophobicContact CD2-CD2 3.81Å; L328-Y336 HydrophobicContact CD2-CG 4.18Å; D333-Y336 VanDerWaalsContact CA-CD2 3.49Å; D333-Y336 HydrophobicContact CB-CD2 3.8Å; D333-Y336 HydrophobicContact CB-CE2 4.21Å; D333-Y336 WeakPolarHBondContact O-CD2 3.48Å; D333-Y336 PolarHBondContact O-N 3.2Å; D333-Y336 WeakPolarHBondContact OD1-CD2 3.29Å; D333-Y336 VanDerWaalsContact OD1-CE2 3.23Å; D333-Y336 WeakPolarHBondContact OD1-CE2 3.47Å; Y336-F419 VanDerWaalsContact O-CE2 3.31Å; Y336-F419 WeakPolarHBondContact O-CE2 3.15Å | ||
| 337 | T | 93.4 | Very high | 87 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | trans | -126.6 | -5.5 | 176.6 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | T287 H335 S417 N418 F419 | T287-T337 PolarHBondContact O-N 2.03Å; H335-T337 PolarHBondContact O-N 3.43Å; T337-S417 CarbonylContact O-C 3.58Å; T337-N418 PolarHBondContact O-N 2.89Å; T337-F419 VanDerWaalsContact C-CE1 3.47Å; T337-F419 VanDerWaalsContact C-CZ 3.49Å; T337-F419 WeakPolarHBondContact O-CD1 3.04Å; T337-F419 WeakPolarHBondContact O-CE1 3.47Å; T337-F419 PolarHBondContact O-N 2.73Å | ||
| 338 | A | 95.1 | Very high | 85.3 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T287 T288 K289 V416 F419 | T287-A338 PolarHBondContact O-N 3.42Å; T287-A338 VanDerWaalsContact O-N 3.13Å; T288-A338 CarbonylContact C-O 3.54Å; T288-A338 WeakPolarHBondContact CA-O 3.39Å; T288-A338 HydrophobicContact CG2-CB 4.4Å; K289-A338 PolarHBondContact N-O 2.87Å; A338-V416 CarbonylContact C-O 3.42Å; A338-V416 WeakPolarHBondContact CA-O 3.41Å; A338-F419 VanDerWaalsContact CA-CE1 3.41Å |
| 339 | I | 95.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 136.2 | 169.6 | -174.2 | 168.4 | 0 | 0 | 0 | 108.3 | K289 Y305 F326 F341 V416 F419 I425 | K289-I339 HydrophobicContact CB-CB 4.11Å; K289-I339 HydrophobicContact CB-CD1 4.11Å; K289-I339 HydrophobicContact CB-CG1 4.05Å; K289-I339 HydrophobicContact CG-CD1 4.15Å; Y305-I339 WeakPolarHBondContact OH-CD1 3.43Å; F326-I339 HydrophobicContact CB-CD1 4.5Å; F326-I339 HydrophobicContact CD1-CD1 3.84Å; F326-I339 HydrophobicContact CD2-CD1 4.49Å; F326-I339 HydrophobicContact CE1-CD1 4.18Å; F326-I339 HydrophobicContact CG-CD1 4.01Å; I339-F341 HydrophobicContact CB-CZ 4.35Å; I339-F341 HydrophobicContact CD1-CE1 3.72Å; I339-F341 HydrophobicContact CD1-CZ 3.64Å; I339-F341 HydrophobicContact CG1-CE1 3.9Å; I339-F341 HydrophobicContact CG1-CE2 4.36Å; I339-F341 HydrophobicContact CG1-CZ 3.71Å; I339-F341 HydrophobicContact CG2-CE2 3.86Å; I339-F341 HydrophobicContact CG2-CZ 3.71Å; I339-V416 HydrophobicContact CG2-CB 3.85Å; I339-V416 HydrophobicContact CG2-CG1 4.23Å; I339-V416 PolarHBondContact N-O 2.97Å; I339-V416 WeakPolarHBondContact O-CB 3.39Å; I339-V416 PolarHBondContact O-N 2.84Å; I339-V416 VanDerWaalsContact O-O 3.1Å; I339-F419 HydrophobicContact CB-CE1 4.44Å; I339-F419 HydrophobicContact CG2-CE1 3.94Å; I339-F419 HydrophobicContact CG2-CZ 4.36Å; I339-I425 HydrophobicContact CG2-CD1 3.74Å |
| 340 | N | 94.7 | Very high | 82.5 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.5 | -177.7 | -51.1 | -46.2 | 0 | 0 | 0 | 110.3 | T313 Y315 Y316 V414 Y415 | T313-N340 HydrophobicContact CG2-CB 4.49Å; T313-N340 VanDerWaalsContact CG2-ND2 3.28Å; T313-N340 WeakPolarHBondContact CG2-ND2 3.38Å; T313-N340 PolarHBondContact OG1-ND2 3.48Å; T313-N340 VanDerWaalsContact OG1-ND2 3.11Å; Y315-N340 WeakPolarHBondContact CA-O 3.39Å; Y315-N340 HydrophobicContact CD1-CB 3.65Å; Y315-N340 HydrophobicContact CE1-CB 4.02Å; Y315-N340 HydrophobicContact CG-CB 4.4Å; Y316-N340 PolarHBondContact N-O 3.37Å; N340-V414 CarbonylContact C-O 3.5Å; N340-V414 WeakPolarHBondContact CA-O 3.07Å; N340-Y415 HydrophobicContact CB-CD1 4.27Å; N340-Y415 WeakPolarHBondContact OD1-CD1 3.26Å |
| 341 | F | 93.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152 | 179.4 | -49.1 | -78.8 | 0 | 0 | 0 | 110.7 | Y316 L318 F326 I339 V414 V416 V427 | Y316-F341 HydrophobicContact CD1-CD1 4.29Å; Y316-F341 HydrophobicContact CG-CD1 4.47Å; Y316-F341 WeakPolarHBondContact O-CA 3.4Å; L318-F341 HydrophobicContact CD1-CB 3.51Å; L318-F341 HydrophobicContact CD1-CD1 4.22Å; L318-F341 HydrophobicContact CD1-CG 3.93Å; L318-F341 HydrophobicContact CD2-CD1 3.88Å; L318-F341 HydrophobicContact CD2-CG 4.42Å; L318-F341 HydrophobicContact CG-CB 3.83Å; L318-F341 HydrophobicContact CG-CD1 4.1Å; L318-F341 HydrophobicContact CG-CG 4.24Å; F326-F341 AromaticContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CZ 4.09Å; F326-F341 HydrophobicContact CE1-CE1 4.37Å; F326-F341 HydrophobicContact CE2-CD1 4.29Å; F326-F341 AromaticContact CE2-CE1 3.37Å; F326-F341 HydrophobicContact CE2-CE1 3.37Å; F326-F341 AromaticContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CZ-CD1 4.38Å; F326-F341 AromaticContact CZ-CE1 3.64Å; F326-F341 HydrophobicContact CZ-CE1 3.64Å; I339-F341 HydrophobicContact CB-CZ 4.35Å; I339-F341 HydrophobicContact CD1-CE1 3.72Å; I339-F341 HydrophobicContact CD1-CZ 3.64Å; I339-F341 HydrophobicContact CG1-CE1 3.9Å; I339-F341 HydrophobicContact CG1-CE2 4.36Å; I339-F341 HydrophobicContact CG1-CZ 3.71Å; I339-F341 HydrophobicContact CG2-CE2 3.86Å; I339-F341 HydrophobicContact CG2-CZ 3.71Å; F341-V414 HydrophobicContact CB-CB 4.17Å; F341-V414 HydrophobicContact CD2-CB 4.34Å; F341-V414 HydrophobicContact CD2-CG1 4.19Å; F341-V414 PolarHBondContact N-O 3.43Å; F341-V414 PolarHBondContact O-N 3.14Å; F341-V416 HydrophobicContact CD2-CG2 4.2Å; F341-V416 HydrophobicContact CE2-CB 4.45Å; F341-V416 HydrophobicContact CE2-CG2 3.76Å; F341-V427 HydrophobicContact CD1-CG1 4.46Å; F341-V427 HydrophobicContact CE1-CG1 4.21Å; F341-V427 HydrophobicContact CZ-CG1 4.28Å |
| 342 | V | 89.3 | Confident | 81.2 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.8 | 170.8 | 65.5 | 0 | 0 | 0 | 0 | 108.7 | L306 Y315 Y316 N317 L318 T411 F412 Y413 | L306-V342 HydrophobicContact CD1-CG1 4.19Å; Y315-V342 HydrophobicContact CG-CB 4.5Å; Y316-V342 PolarHBondContact O-N 3.19Å; N317-V342 HydrophobicContact CB-CG1 4.28Å; L318-V342 PolarHBondContact N-O 2.85Å; V342-T411 HydrophobicContact CG2-CG2 3.21Å; V342-F412 WeakPolarHBondContact CA-O 3.48Å; V342-Y413 HydrophobicContact CB-CD1 4.29Å; V342-Y413 HydrophobicContact CB-CE1 4.46Å; V342-Y413 HydrophobicContact CG2-CD1 3.97Å; V342-Y413 HydrophobicContact CG2-CE1 3.82Å |
| 343 | A | 86 | Confident | 81.2 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 117.2 | 178 | 0 | 0 | 0 | 0 | 0 | 108.9 | L318 I320 F412 | L318-A343 HydrophobicContact CB-CB 4.34Å; I320-A343 HydrophobicContact CD1-CB 3.95Å; A343-F412 HydrophobicContact CB-CB 4.39Å; A343-F412 PolarHBondContact N-O 2.04Å; A343-F412 PolarHBondContact O-N 2.88Å |
| 344 | T | 80.1 | Confident | 81.2 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | trans | -113.5 | 102.9 | 178 | -54.4 | 0 | 0 | 0 | 0 | 108.4 | E346 | T344-E346 PolarHBondContact O-N 3.49Š| ||
| 345 | P | 74 | Confident | 81.2 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | trans | -65 | 121.8 | 176.7 | 24.4 | -32.8 | 0 | 0 | 0 | 110.9 | Q347 I410 F412 I431 | P345-Q347 VanDerWaalsContact C-N 3.28Å; P345-Q347 PolarHBondContact O-N 2.84Å; P345-I410 WeakPolarHBondContact CD-O 3.21Å; P345-F412 HydrophobicContact CG-CD2 4.5Å; P345-F412 HydrophobicContact CG-CE2 4.27Å; P345-I431 HydrophobicContact CB-CD1 4.15Å | ||
| 346 | E | 67.5 | Low | 81.5 | Confident | 187 Ų | 187 | 38.3 Ų | 38.3 | 87% | 0.874 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -72.7 | -21.4 | 177.3 | -65.4 | -175.5 | 170.7 | 0 | 0 | 112.8 | T344 | T344-E346 PolarHBondContact O-N 3.49Š|
| 347 | Q | 64.5 | Low | 81.5 | Confident | 95 Ų | 95 | 39.9 Ų | 39.9 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | trans | -109.2 | 106.6 | -175.8 | -64.6 | 177.6 | 24.2 | 0 | 0 | 110.6 | P345 N349 | P345-Q347 VanDerWaalsContact C-N 3.28Å; P345-Q347 PolarHBondContact O-N 2.84Å; Q347-N349 PolarHBondContact O-N 3.13Å | ||
| 348 | A | 55.8 | Low | 81.5 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 3.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | F404 | A348-F404 WeakPolarHBondContact O-CB 3.27Š|
| 349 | N | 57.9 | Low | 81.4 | Confident | 108 Ų | 108 | 39.6 Ų | 39.6 | 58% | 0.578 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | 22.7 | -170.4 | -71.3 | -23.6 | 0 | 0 | 0 | 114.3 | Q347 | Q347-N349 PolarHBondContact O-N 3.13Š|
| 350 | K | 66.9 | Low | 81.3 | Confident | 70 Ų | 70 | 42 Ų | 42 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153.2 | -178.4 | -65.7 | -172.4 | 176.8 | 170.9 | 0 | 111.2 | I431 H432 | K350-I431 HydrophobicContact CB-CG2 3.27Å; K350-I431 HydrophobicContact CD-CG2 3.14Å; K350-I431 HydrophobicContact CG-CG2 3.85Å; K350-H432 WeakPolarHBondContact CB-O 3.24Å |
| 351 | N | 71.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.5 | -179.9 | -62.2 | -27.6 | 0 | 0 | 0 | 109.1 | S398 C399 I431 H432 S434 | N351-S398 VanDerWaalsContact OD1-CA 3.27Å; N351-S398 WeakPolarHBondContact OD1-CA 3.3Å; N351-C399 PolarHBondContact OD1-N 2.82Å; N351-I431 WeakPolarHBondContact O-CA 3.43Å; N351-H432 PolarHBondContact N-O 3.42Å; N351-H432 PolarHBondContact O-N 2.98Å; N351-S434 PolarHBondContact ND2-OG 3.19Å; N351-S434 PolarHBondContact OD1-OG 3.25Å |
| 352 | L | 77.4 | Confident | 81.3 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.2 | 174.6 | 179.2 | 67.8 | 0 | 0 | 0 | 108.5 | I320 F397 F412 I431 | I320-L352 HydrophobicContact CD1-CD1 4.1Å; I320-L352 HydrophobicContact CG2-CD1 4.2Å; L352-F397 HydrophobicContact CB-CB 4.5Å; L352-F397 PolarHBondContact N-O 3.2Å; L352-F397 WeakPolarHBondContact O-CD2 3.39Å; L352-F397 PolarHBondContact O-N 2.85Å; L352-F412 HydrophobicContact CD2-CD2 3.43Å; L352-F412 VanDerWaalsContact CD2-CD2 3.43Å; L352-F412 HydrophobicContact CD2-CE2 3.52Å; L352-F412 HydrophobicContact CD2-CG 3.99Å; L352-F412 HydrophobicContact CD2-CZ 4.15Å; L352-I431 HydrophobicContact CD1-CG1 4.17Å |
| 353 | E | 83.8 | Confident | 81.6 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.2 | 168.4 | -178.5 | 170.3 | -135.8 | 0 | 0 | 109.3 | R394 D395 G429 E430 H432 | E353-R394 HydrophobicContact CG-CG 4.47Å; E353-R394 IonicContact OE1-CZ 2.8Å; E353-R394 IonicContact OE1-NE 2.76Å; E353-R394 PolarHBondContact OE1-NE 2.81Å; E353-R394 IonicContact OE1-NH2 3.91Å; E353-R394 PolarHBondContact OE1-NH2 3.2Å; E353-R394 IonicContact OE2-CZ 2.94Å; E353-R394 IonicContact OE2-NE 2.69Å; E353-R394 IonicContact OE2-NH2 3.06Å; E353-R394 PolarHBondContact OE2-NH2 3.33Å; E353-D395 WeakPolarHBondContact CA-O 2.96Å; E353-G429 CarbonylContact O-C 3.56Å; E353-G429 WeakPolarHBondContact O-CA 3.31Å; E353-E430 HydrophobicContact CB-CB 4.43Å; E353-E430 PolarHBondContact N-O 3.43Å; E353-E430 PolarHBondContact O-N 2.76Å; E353-H432 IonicContact OE2-CD2 2.89Å; E353-H432 IonicContact OE2-CE1 2.93Å; E353-H432 IonicContact OE2-NE2 3.45Å; E353-H432 PolarHBondContact OE2-NE2 3.15Å |
| 354 | M | 86.6 | Confident | 82 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.3 | 174.5 | -170.6 | 169.1 | -166.7 | 0 | 0 | 110.1 | L318 I366 R394 D395 F397 V414 V427 | L318-M354 HydrophobicContact CD1-CE 4.14Å; M354-I366 HydrophobicContact SD-CD1 3.91Å; M354-R394 WeakPolarHBondContact O-CA 3.23Å; M354-D395 PolarHBondContact N-O 2.82Å; M354-D395 PolarHBondContact O-N 2.79Å; M354-F397 HydrophobicContact CB-CD2 4.47Å; M354-F397 HydrophobicContact CB-CE2 3.81Å; M354-V414 HydrophobicContact CE-CB 3.93Å; M354-V414 HydrophobicContact CE-CG1 3.64Å; M354-V414 HydrophobicContact CE-CG2 3.45Å; M354-V414 VanDerWaalsContact CE-CG2 3.45Å; M354-V414 HydrophobicContact SD-CB 4.31Å; M354-V414 HydrophobicContact SD-CG1 4.16Å; M354-V414 HydrophobicContact SD-CG2 3.31Å; M354-V414 WeakPolarHBondContact SD-CG2 3.47Å; M354-V427 HydrophobicContact CE-CG2 3.35Å |
| 355 | S | 90.3 | Very high | 82.6 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.9 | 169.8 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | H393 V427 R428 | S355-H393 CarbonylContact C-O 3.52Å; S355-H393 WeakPolarHBondContact CA-O 3.23Å; S355-V427 WeakPolarHBondContact O-CA 3.33Å; S355-R428 PolarHBondContact N-O 3.15Å; S355-R428 PolarHBondContact O-N 3.47Å; S355-R428 PolarHBondContact OG-O 3.27Å |
| 356 | I | 93.7 | Very high | 83.4 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.6 | 174.6 | -175.1 | 168.3 | 0 | 0 | 0 | 109.6 | F362 L364 E392 H393 V416 I425 Q426 V427 | I356-F362 HydrophobicContact CD1-CE2 4Å; I356-F362 HydrophobicContact CD1-CZ 4.1Å; I356-F362 HydrophobicContact CG1-CE2 4.29Å; I356-F362 HydrophobicContact CG1-CZ 3.91Å; I356-F362 HydrophobicContact CG2-CE2 4.15Å; I356-F362 HydrophobicContact CG2-CZ 3.97Å; I356-L364 HydrophobicContact CD1-CD1 4.39Å; I356-L364 HydrophobicContact CG2-CD1 4.23Å; I356-L364 HydrophobicContact CG2-CD2 3.8Å; I356-E392 CarbonylContact O-C 3.55Å; I356-E392 VanDerWaalsContact O-CA 3.27Å; I356-E392 WeakPolarHBondContact O-CA 2.99Å; I356-H393 HydrophobicContact CG2-CB 3.9Å; I356-H393 PolarHBondContact N-O 2.01Å; I356-H393 PolarHBondContact O-N 2.77Å; I356-V416 HydrophobicContact CD1-CG2 3.35Å; I356-I425 HydrophobicContact CD1-CG2 4.02Å; I356-I425 HydrophobicContact CG1-CG2 4.13Å; I356-Q426 CarbonylContact C-O 3.55Å; I356-Q426 VanDerWaalsContact CA-O 3.31Å; I356-Q426 WeakPolarHBondContact CA-O 3.1Å; I356-V427 HydrophobicContact CG1-CB 4.47Å |
| 357 | N | 93.9 | Very high | 84.3 | Confident | 65 Ų | 65 | 35.8 Ų | 35.8 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.3 | 178.9 | -173.7 | -10 | 0 | 0 | 0 | 109.1 | K391 E392 I425 Q426 | N357-K391 CarbonylContact C-O 3.33Å; N357-K391 WeakPolarHBondContact CA-O 3.35Å; N357-K391 PolarHBondContact OD1-O 3.16Å; N357-E392 HydrophobicContact CB-CB 4.33Å; N357-I425 CarbonylContact O-C 3.49Å; N357-I425 WeakPolarHBondContact O-CA 3.49Å; N357-Q426 PolarHBondContact N-O 2.86Å; N357-Q426 PolarHBondContact O-N 2.03Å |
| 358 | A | 94.6 | Very high | 85.1 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 158 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N360 F362 K391 I423 K424 I425 | A358-N360 VanDerWaalsContact C-N 3.33Å; A358-N360 PolarHBondContact O-N 2.66Å; A358-F362 HydrophobicContact CB-CD1 3.56Å; A358-F362 HydrophobicContact CB-CE1 3.5Å; A358-F362 VanDerWaalsContact CB-CE1 3.5Å; A358-K391 PolarHBondContact N-O 3.48Å; A358-I423 HydrophobicContact CB-CD1 3.9Å; A358-I423 HydrophobicContact CB-CG1 4.21Å; A358-K424 CarbonylContact C-O 3.54Å; A358-K424 WeakPolarHBondContact CA-O 3.46Å; A358-K424 WeakPolarHBondContact CB-O 3.36Å; A358-I425 HydrophobicContact CB-CB 4.46Å; A358-I425 HydrophobicContact CB-CG1 3.95Å |
| 359 | S | 93.2 | Very high | 86.1 | Confident | 61 Ų | 61 | 31.5 Ų | 31.5 | 43% | 0.427 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -32.6 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | K424 | S359-K424 PolarHBondContact N-O 2.85Å; S359-K424 PolarHBondContact OG-N 3Å |
| 360 | N | 92.6 | Very high | 86.5 | Confident | 51 Ų | 51 | 29.5 Ų | 29.5 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 166.9 | 178 | -64.4 | -11.5 | 0 | 0 | 0 | 110.2 | A358 S420 P422 I423 | A358-N360 VanDerWaalsContact C-N 3.33Å; A358-N360 PolarHBondContact O-N 2.66Å; N360-S420 PolarHBondContact ND2-O 2.85Å; N360-S420 VanDerWaalsContact ND2-O 3.16Å; N360-P422 PolarHBondContact ND2-O 3.26Å; N360-I423 HydrophobicContact CB-CD1 3.95Å; N360-I423 HydrophobicContact CB-CG1 4.23Å |
| 361 | N | 93.7 | Very high | 85.9 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 33% | 0.332 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 144.6 | 178.4 | -58.6 | 5.6 | 0 | 0 | 0 | 110.8 | N389 I390 K391 | N361-N389 WeakPolarHBondContact CB-OD1 3.27Å; N361-N389 PolarHBondContact ND2-OD1 2.92Å; N361-I390 CarbonylContact C-O 3.52Å; N361-I390 VanDerWaalsContact CA-O 3.27Å; N361-I390 WeakPolarHBondContact CA-O 3.14Å; N361-K391 WeakPolarHBondContact OD1-CE 3.33Å; N361-K391 WeakPolarHBondContact OD1-CG 3.33Å |
| 362 | F | 95 | Very high | 84.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 164.4 | 176.4 | 60.8 | -88.1 | 0 | 0 | 0 | 111.1 | I356 A358 L364 N389 I390 K391 V416 F419 | I356-F362 HydrophobicContact CD1-CE2 4Å; I356-F362 HydrophobicContact CD1-CZ 4.1Å; I356-F362 HydrophobicContact CG1-CE2 4.29Å; I356-F362 HydrophobicContact CG1-CZ 3.91Å; I356-F362 HydrophobicContact CG2-CE2 4.15Å; I356-F362 HydrophobicContact CG2-CZ 3.97Å; A358-F362 HydrophobicContact CB-CD1 3.56Å; A358-F362 HydrophobicContact CB-CE1 3.5Å; A358-F362 VanDerWaalsContact CB-CE1 3.5Å; F362-L364 HydrophobicContact CD2-CB 4.16Å; F362-L364 HydrophobicContact CE2-CB 3.9Å; F362-L364 HydrophobicContact CE2-CD1 4.29Å; F362-L364 HydrophobicContact CE2-CD2 4.49Å; F362-L364 HydrophobicContact CE2-CG 4.46Å; F362-N389 PolarHBondContact O-N 3.01Å; F362-N389 VanDerWaalsContact O-N 3.14Å; F362-I390 VanDerWaalsContact CD1-O 3.28Å; F362-I390 WeakPolarHBondContact CD1-O 3.48Å; F362-I390 HydrophobicContact CD2-CG1 4.3Å; F362-I390 HydrophobicContact CE2-CD1 3.97Å; F362-I390 HydrophobicContact CE2-CG1 4.07Å; F362-I390 HydrophobicContact CZ-CD1 4.22Å; F362-I390 HydrophobicContact CZ-CG1 4.3Å; F362-I390 PolarHBondContact N-O 2.94Å; F362-I390 WeakPolarHBondContact O-CG1 3.4Å; F362-I390 PolarHBondContact O-N 3.01Å; F362-K391 VanDerWaalsContact CE1-O 3.29Å; F362-K391 WeakPolarHBondContact CE1-O 3.04Å; F362-V416 HydrophobicContact CB-CG1 3.89Å; F362-V416 HydrophobicContact CD2-CG1 3.67Å; F362-V416 HydrophobicContact CE2-CG1 4.38Å; F362-V416 HydrophobicContact CG-CG1 3.88Å; F362-F419 HydrophobicContact CB-CB 4.21Å |
| 363 | N | 95.3 | Very high | 83.3 | Confident | 33 Ų | 33 | 32.8 Ų | 32.8 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.7 | 167.6 | -65.8 | -8.2 | 0 | 0 | 0 | 109.2 | M388 N389 V416 S417 N418 | N363-M388 VanDerWaalsContact OD1-CA 3.3Å; N363-M388 WeakPolarHBondContact OD1-CA 3.39Å; N363-N389 PolarHBondContact OD1-N 2.83Å; N363-V416 WeakPolarHBondContact O-CA 3.26Å; N363-S417 WeakPolarHBondContact CB-O 3.32Å; N363-S417 PolarHBondContact N-O 3.47Å; N363-S417 PolarHBondContact O-N 3.05Å; N363-N418 HydrophobicContact CB-CB 4.42Å |
| 364 | L | 94.6 | Very high | 81.3 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.3 | -178.6 | -177.5 | 64.5 | 0 | 0 | 0 | 109.7 | I356 F362 I366 A386 R387 I390 H393 V414 Y415 V416 | I356-L364 HydrophobicContact CD1-CD1 4.39Å; I356-L364 HydrophobicContact CG2-CD1 4.23Å; I356-L364 HydrophobicContact CG2-CD2 3.8Å; F362-L364 HydrophobicContact CD2-CB 4.16Å; F362-L364 HydrophobicContact CE2-CB 3.9Å; F362-L364 HydrophobicContact CE2-CD1 4.29Å; F362-L364 HydrophobicContact CE2-CD2 4.49Å; F362-L364 HydrophobicContact CE2-CG 4.46Å; L364-I366 HydrophobicContact CD1-CD1 4.42Å; L364-I366 HydrophobicContact CD1-CG1 4.09Å; L364-I366 HydrophobicContact CD2-CD1 4.11Å; L364-I366 HydrophobicContact CD2-CG1 4.39Å; L364-I366 HydrophobicContact CG-CD1 4.35Å; L364-I366 HydrophobicContact CG-CG1 4.08Å; L364-A386 WeakPolarHBondContact O-CA 3.49Å; L364-R387 HydrophobicContact CB-CB 4.49Å; L364-R387 PolarHBondContact N-O 3.08Å; L364-R387 PolarHBondContact O-N 3.45Å; L364-R387 VanDerWaalsContact O-O 3.07Å; L364-I390 HydrophobicContact CB-CD1 3.91Å; L364-I390 HydrophobicContact CD2-CD1 4.06Å; L364-H393 HydrophobicContact CD2-CB 3.66Å; L364-H393 WeakPolarHBondContact CD2-CD2 3.39Å; L364-V414 HydrophobicContact CD1-CG1 3.69Å; L364-Y415 WeakPolarHBondContact CA-O 3.15Å; L364-V416 HydrophobicContact CD1-CG2 4.08Å |
| 365 | N | 92.7 | Very high | 79.3 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.6 | 167.6 | -173.3 | 10.4 | 0 | 0 | 0 | 108.8 | S383 I385 Y415 | N365-S383 PolarHBondContact OD1-OG 3Å; N365-I385 CarbonylContact C-O 3.4Å; N365-I385 VanDerWaalsContact CA-O 3.31Å; N365-I385 WeakPolarHBondContact CA-O 3.46Å; N365-I385 PolarHBondContact OD1-O 3.4Å; N365-Y415 HydrophobicContact CB-CD2 4.47Å; N365-Y415 PolarHBondContact N-O 2.94Å; N365-Y415 PolarHBondContact O-N 3.16Å |
| 366 | I | 89.7 | Confident | 76.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.5 | 176.5 | -56.4 | 179.4 | 0 | 0 | 0 | 107.5 | M354 L364 V384 I385 F397 F412 Y413 V414 | M354-I366 HydrophobicContact SD-CD1 3.91Å; L364-I366 HydrophobicContact CD1-CD1 4.42Å; L364-I366 HydrophobicContact CD1-CG1 4.09Å; L364-I366 HydrophobicContact CD2-CD1 4.11Å; L364-I366 HydrophobicContact CD2-CG1 4.39Å; L364-I366 HydrophobicContact CG-CD1 4.35Å; L364-I366 HydrophobicContact CG-CG1 4.08Å; I366-V384 PolarHBondContact O-N 3.13Å; I366-I385 HydrophobicContact CB-CB 4.19Å; I366-I385 HydrophobicContact CD1-CD1 4.33Å; I366-I385 HydrophobicContact CG1-CB 4.48Å; I366-I385 PolarHBondContact N-O 2.96Å; I366-I385 PolarHBondContact O-N 3.24Å; I366-F397 HydrophobicContact CD1-CZ 4.03Å; I366-F397 HydrophobicContact CG2-CZ 4.09Å; I366-F412 HydrophobicContact CG2-CD1 4.4Å; I366-Y413 WeakPolarHBondContact CA-O 3.35Å; I366-V414 HydrophobicContact CG1-CG1 4.17Å; I366-V414 HydrophobicContact CG1-CG2 4.21Å; I366-V414 HydrophobicContact CG2-CG2 4.22Å |
| 367 | T | 87.6 | Confident | 74.7 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 160.9 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 109.5 | E381 M382 F412 Y413 Y415 | T367-E381 PolarHBondContact OG1-OE2 2.85Å; T367-M382 CarbonylContact C-O 3.58Å; T367-M382 WeakPolarHBondContact CA-O 3.48Å; T367-M382 WeakPolarHBondContact CB-O 3.33Å; T367-F412 WeakPolarHBondContact O-CA 3.27Å; T367-Y413 PolarHBondContact N-O 2.92Å; T367-Y413 PolarHBondContact O-N 3.43Å; T367-Y413 WeakPolarHBondContact OG1-CB 3.1Å; T367-Y415 HydrophobicContact CG2-CD2 4.47Å; T367-Y415 HydrophobicContact CG2-CE2 4.1Å |
| 368 | W | 81.5 | Confident | 72.3 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155.2 | 171.6 | 73.6 | -66.9 | 0 | 0 | 0 | 109.8 | F370 M382 V384 F402 I410 T411 F412 | W368-F370 HydrophobicContact CZ3-CB 4.43Å; W368-M382 VanDerWaalsContact CD1-O 3.29Å; W368-M382 HydrophobicContact CD2-CE 4.36Å; W368-M382 HydrophobicContact CH2-CE 3.6Å; W368-M382 HydrophobicContact CZ2-CE 3.22Å; W368-M382 HydrophobicContact CZ2-SD 4.08Å; W368-M382 HydrophobicContact CZ3-CE 4.28Å; W368-M382 PolarHBondContact N-O 3.18Å; W368-M382 PolarHBondContact O-N 3.04Å; W368-V384 HydrophobicContact CB-CG2 4.45Å; W368-V384 HydrophobicContact CG-CG2 4.09Å; W368-F402 HydrophobicContact CD2-CD1 4.5Å; W368-F402 AromaticContact CE2-CD1 4Å; W368-F402 HydrophobicContact CZ2-CD1 4.23Å; W368-I410 HydrophobicContact CE3-CG1 4.49Å; W368-I410 HydrophobicContact CE3-CG2 4.1Å; W368-I410 HydrophobicContact CZ3-CG1 4.41Å; W368-T411 WeakPolarHBondContact CA-O 2.92Å; W368-F412 HydrophobicContact CB-CD1 3.91Å; W368-F412 HydrophobicContact CB-CE1 3.97Å |
| 369 | S | 75.8 | Confident | 70.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.7 | 175.1 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | S372 T411 Y413 | S369-S372 WeakPolarHBondContact OG-CB 3.44Å; S369-S372 PolarHBondContact OG-OG 3.25Å; S369-T411 PolarHBondContact N-O 3.05Å; S369-T411 PolarHBondContact O-N 3.4Å; S369-Y413 WeakPolarHBondContact OG-CE2 3.47Å |
| 370 | F | 67.4 | Low | 68.8 | Low | 66 Ų | 66 | 52.1 Ų | 52.1 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127 | 169.1 | -164.5 | -108.7 | 0 | 0 | 0 | 108.3 | W368 H407 I410 | W368-F370 HydrophobicContact CZ3-CB 4.43Å; F370-H407 AromaticContact CD1-CD2 3.65Å; F370-H407 AromaticContact CD1-CE1 3.35Å; F370-H407 WeakPolarHBondContact CD1-CE1 3.15Å; F370-H407 AromaticContact CD1-CG 3.7Å; F370-H407 AromaticContact CD1-ND1 3.52Å; F370-H407 AromaticContact CD1-NE2 3.45Å; F370-H407 WeakPolarHBondContact CD1-NE2 3.21Å; F370-H407 HydrophobicContact CD2-CB 3.3Å; F370-H407 AromaticContact CD2-CD2 3.37Å; F370-H407 WeakPolarHBondContact CD2-CD2 3.38Å; F370-H407 AromaticContact CD2-CG 3.2Å; F370-H407 AromaticContact CD2-ND1 3.86Å; F370-H407 HydrophobicContact CE1-CB 4.23Å; F370-H407 AromaticContact CE1-CD2 3.89Å; F370-H407 AromaticContact CE1-CE1 3.15Å; F370-H407 WeakPolarHBondContact CE1-CE1 3.43Å; F370-H407 AromaticContact CE1-CG 3.45Å; F370-H407 VanDerWaalsContact CE1-CG 3.45Å; F370-H407 AromaticContact CE1-ND1 2.96Å; F370-H407 WeakPolarHBondContact CE1-ND1 3.38Å; F370-H407 AromaticContact CE1-NE2 3.74Å; F370-H407 HydrophobicContact CE2-CB 2.89Å; F370-H407 AromaticContact CE2-CD2 3.74Å; F370-H407 AromaticContact CE2-CG 3.04Å; F370-H407 AromaticContact CE2-ND1 3.45Å; F370-H407 WeakPolarHBondContact CE2-ND1 3.49Å; F370-H407 HydrophobicContact CG-CB 4.21Å; F370-H407 AromaticContact CG-CD2 3.4Å; F370-H407 VanDerWaalsContact CG-CD2 3.4Å; F370-H407 WeakPolarHBondContact CG-CD2 3.02Å; F370-H407 AromaticContact CG-CE1 3.96Å; F370-H407 AromaticContact CG-CG 3.6Å; F370-H407 AromaticContact CG-ND1 3.95Å; F370-H407 AromaticContact CG-NE2 3.67Å; F370-H407 HydrophobicContact CZ-CB 3.41Å; F370-H407 VanDerWaalsContact CZ-CB 3.41Å; F370-H407 AromaticContact CZ-CD2 3.95Å; F370-H407 AromaticContact CZ-CE1 3.67Å; F370-H407 AromaticContact CZ-CG 3.14Å; F370-H407 AromaticContact CZ-ND1 2.95Å; F370-H407 WeakPolarHBondContact CZ-ND1 3.3Å; F370-I410 HydrophobicContact CD2-CG1 3.88Å; F370-I410 HydrophobicContact CE2-CG1 4.31Å |
| 371 | S | 53.6 | Low | 67.9 | Low | 63 Ų | 63 | 52.6 Ų | 52.6 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 86.4 | 20.3 | -178.8 | 81.4 | 0 | 0 | 0 | 0 | 119.1 | T373 N409 | S371-T373 PolarHBondContact O-N 3.16Å; S371-N409 PolarHBondContact N-O 3.22Å |
| 372 | S | 49.3 | Very low | 67.1 | Low | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | trans | -76.5 | 100 | 170.7 | 29 | 0 | 0 | 0 | 0 | 110.8 | S369 T411 Y413 | S369-S372 WeakPolarHBondContact OG-CB 3.44Å; S369-S372 PolarHBondContact OG-OG 3.25Å; S372-T411 WeakPolarHBondContact OG-CB 3.41Å; S372-T411 PolarHBondContact OG-OG1 2.8Å; S372-T411 VanDerWaalsContact OG-OG1 3.05Å; S372-Y413 WeakPolarHBondContact CB-OH 3.14Å | ||
| 373 | T | 44.4 | Very low | 66.4 | Low | 102 Ų | 102 | 57.7 Ų | 57.7 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | trans | -72.6 | 131.2 | 164.9 | -33.5 | 0 | 0 | 0 | 0 | 107.1 | S371 G375 T376 | S371-T373 PolarHBondContact O-N 3.16Å; T373-G375 PolarHBondContact O-N 3.28Å; T373-T376 PolarHBondContact O-N 2.83Å; T373-T376 VanDerWaalsContact O-N 3.17Å; T373-T376 PolarHBondContact O-OG1 3.45Å | ||
| 374 | A | 41.7 | Very low | 65.7 | Low | 100 Ų | 100 | 58.3 Ų | 58.3 | 83% | 0.826 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.7 | 101 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 375 | G | 44.4 | Very low | 65.3 | Low | 38 Ų | 38 | 58.4 Ų | 58.4 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 2.2 | 168 | 0 | 0 | 0 | 0 | 0 | 117.5 | T373 | T373-G375 PolarHBondContact O-N 3.28Š|
| 376 | T | 40.4 | Very low | 65.2 | Low | 83 Ų | 83 | 58.6 Ų | 58.6 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | trans | -111.8 | 111.7 | 170.7 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | T373 S378 | T373-T376 PolarHBondContact O-N 2.83Å; T373-T376 VanDerWaalsContact O-N 3.17Å; T373-T376 PolarHBondContact O-OG1 3.45Å; T376-S378 VanDerWaalsContact C-N 3.35Å; T376-S378 PolarHBondContact O-N 2.96Å | ||
| 377 | I | 47.9 | Very low | 65.2 | Low | 82 Ų | 82 | 64.3 Ų | 64.3 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | trans | -75.4 | 86.8 | 173.5 | -46.9 | 164.3 | 0 | 0 | 0 | 107.4 | ||||
| 378 | S | 43.2 | Very low | 65.4 | Low | 100 Ų | 100 | 71 Ų | 71 | 70% | 0.699 | 42% | 0.415 | S | S | * | . | trans | -120 | 2.3 | 169.1 | 73.5 | 0 | 0 | 0 | 0 | 113.4 | T376 | T376-S378 VanDerWaalsContact C-N 3.35Å; T376-S378 PolarHBondContact O-N 2.96Å | ||
| 379 | G | 52.4 | Low | 65.9 | Low | 17 Ų | 17 | 74.8 Ų | 74.8 | 18% | 0.175 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -99.9 | 147.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E381 | G379-E381 PolarHBondContact O-N 3.07Š|
| 380 | E | 61.5 | Low | 66.8 | Low | 184 Ų | 184 | 76.4 Ų | 76.4 | 86% | 0.86 | 45% | 0.446 | S | S | * | . | trans | -62.4 | 113.1 | 167.2 | -71.5 | -176.8 | 153.5 | 0 | 0 | 109.2 | ||||
| 381 | E | 74.1 | Confident | 67.8 | Low | 61 Ų | 61 | 78.9 Ų | 78.9 | 29% | 0.285 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 127.5 | 171.2 | -72.9 | -174.3 | -156.1 | 0 | 0 | 109.8 | T367 G379 Y413 Y415 | T367-E381 PolarHBondContact OG1-OE2 2.85Å; G379-E381 PolarHBondContact O-N 3.07Å; E381-Y413 HydrophobicContact CG-CD2 4.15Å; E381-Y413 HydrophobicContact CG-CE2 4.22Å; E381-Y415 PolarHBondContact OE1-OH 3.02Å; E381-Y415 VanDerWaalsContact OE1-OH 3.08Å; E381-Y415 PolarHBondContact OE2-OH 2.75Å |
| 382 | M | 76.9 | Confident | 69.7 | Low | 92 Ų | 92 | 82.5 Ų | 82.5 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.6 | 173.6 | -73.1 | -177.8 | -84 | 0 | 0 | 109.8 | T367 W368 | T367-M382 CarbonylContact C-O 3.58Å; T367-M382 WeakPolarHBondContact CA-O 3.48Å; T367-M382 WeakPolarHBondContact CB-O 3.33Å; W368-M382 VanDerWaalsContact CD1-O 3.29Å; W368-M382 HydrophobicContact CD2-CE 4.36Å; W368-M382 HydrophobicContact CH2-CE 3.6Å; W368-M382 HydrophobicContact CZ2-CE 3.22Å; W368-M382 HydrophobicContact CZ2-SD 4.08Å; W368-M382 HydrophobicContact CZ3-CE 4.28Å; W368-M382 PolarHBondContact N-O 3.18Å; W368-M382 PolarHBondContact O-N 3.04Å |
| 383 | S | 79.2 | Confident | 71.6 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 54% | 0.538 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.6 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | N365 | N365-S383 PolarHBondContact OD1-OG 3Å |
| 384 | V | 82.5 | Confident | 73.8 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 29% | 0.285 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -46.3 | 176.1 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | I366 W368 F397 F402 | I366-V384 PolarHBondContact O-N 3.13Å; W368-V384 HydrophobicContact CB-CG2 4.45Å; W368-V384 HydrophobicContact CG-CG2 4.09Å; V384-F397 HydrophobicContact CB-CE1 4.26Å; V384-F397 HydrophobicContact CG1-CD1 3.99Å; V384-F397 HydrophobicContact CG1-CE1 3.61Å; V384-F402 HydrophobicContact CG1-CE1 3.83Å; V384-F402 HydrophobicContact CG1-CZ 3.59Å; V384-F402 HydrophobicContact CG2-CE1 4.08Å |
| 385 | I | 84.7 | Confident | 75.7 | Confident | 5 Ų | 5 | 84.8 Ų | 84.8 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126 | -174.9 | -55 | -172.8 | 0 | 0 | 0 | 108.7 | N365 I366 R387 H393 D395 F397 | N365-I385 CarbonylContact C-O 3.4Å; N365-I385 VanDerWaalsContact CA-O 3.31Å; N365-I385 WeakPolarHBondContact CA-O 3.46Å; N365-I385 PolarHBondContact OD1-O 3.4Å; I366-I385 HydrophobicContact CB-CB 4.19Å; I366-I385 HydrophobicContact CD1-CD1 4.33Å; I366-I385 HydrophobicContact CG1-CB 4.48Å; I366-I385 PolarHBondContact N-O 2.96Å; I366-I385 PolarHBondContact O-N 3.24Å; I385-R387 HydrophobicContact CG2-CG 3.88Å; I385-H393 VanDerWaalsContact CD1-NE2 3.3Å; I385-H393 WeakPolarHBondContact CD1-NE2 3.13Å; I385-D395 HydrophobicContact CD1-CB 3.69Å; I385-D395 WeakPolarHBondContact CD1-OD2 3.31Å; I385-F397 HydrophobicContact CD1-CE1 3.63Å; I385-F397 HydrophobicContact CD1-CZ 3.54Å; I385-F397 HydrophobicContact CG1-CE1 4.06Å; I385-F397 HydrophobicContact CG1-CZ 4.27Å |
| 386 | A | 90.2 | Very high | 77.4 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L364 | L364-A386 WeakPolarHBondContact O-CA 3.49Å |
| 387 | R | 91.1 | Very high | 79.1 | Confident | 121 Ų | 121 | 82 Ų | 82 | 46% | 0.457 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145 | 175.6 | -64.5 | -66 | -176.8 | -83.1 | -4.8 | 108.8 | L364 I385 I390 | L364-R387 HydrophobicContact CB-CB 4.49Å; L364-R387 PolarHBondContact N-O 3.08Å; L364-R387 PolarHBondContact O-N 3.45Å; L364-R387 VanDerWaalsContact O-O 3.07Å; I385-R387 HydrophobicContact CG2-CG 3.88Å; R387-I390 HydrophobicContact CB-CD1 3.85Å; R387-I390 HydrophobicContact CB-CG1 4.31Å; R387-I390 HydrophobicContact CB-CG2 4.15Å |
| 388 | M | 91.9 | Very high | 79.8 | Confident | 149 Ų | 149 | 79.7 Ų | 79.7 | 73% | 0.734 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.3 | -179.8 | -63.1 | -173.2 | -67.8 | 0 | 0 | 109.8 | N363 I390 | N363-M388 VanDerWaalsContact OD1-CA 3.3Å; N363-M388 WeakPolarHBondContact OD1-CA 3.39Å; M388-I390 PolarHBondContact O-N 2.96Å |
| 389 | N | 91.9 | Very high | 80.6 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.2 | 46.3 | 172.7 | -160.5 | 14.7 | 0 | 0 | 0 | 114.1 | N361 F362 N363 | N361-N389 WeakPolarHBondContact CB-OD1 3.27Å; N361-N389 PolarHBondContact ND2-OD1 2.92Å; F362-N389 PolarHBondContact O-N 3.01Å; F362-N389 VanDerWaalsContact O-N 3.14Å; N363-N389 PolarHBondContact OD1-N 2.83Å |
| 390 | I | 93.4 | Very high | 80.7 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 19% | 0.185 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 157.5 | -179.8 | 56.8 | 159.6 | 0 | 0 | 0 | 111.5 | N361 F362 L364 R387 M388 H393 | N361-I390 CarbonylContact C-O 3.52Å; N361-I390 VanDerWaalsContact CA-O 3.27Å; N361-I390 WeakPolarHBondContact CA-O 3.14Å; F362-I390 VanDerWaalsContact CD1-O 3.28Å; F362-I390 WeakPolarHBondContact CD1-O 3.48Å; F362-I390 HydrophobicContact CD2-CG1 4.3Å; F362-I390 HydrophobicContact CE2-CD1 3.97Å; F362-I390 HydrophobicContact CE2-CG1 4.07Å; F362-I390 HydrophobicContact CZ-CD1 4.22Å; F362-I390 HydrophobicContact CZ-CG1 4.3Å; F362-I390 PolarHBondContact N-O 2.94Å; F362-I390 WeakPolarHBondContact O-CG1 3.4Å; F362-I390 PolarHBondContact O-N 3.01Å; L364-I390 HydrophobicContact CB-CD1 3.91Å; L364-I390 HydrophobicContact CD2-CD1 4.06Å; R387-I390 HydrophobicContact CB-CD1 3.85Å; R387-I390 HydrophobicContact CB-CG1 4.31Å; R387-I390 HydrophobicContact CB-CG2 4.15Å; M388-I390 PolarHBondContact O-N 2.96Å; I390-H393 HydrophobicContact CD1-CB 3.74Å |
| 391 | K | 90.1 | Very high | 80.5 | Confident | 118 Ų | 118 | 82.8 Ų | 82.8 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -30.8 | 173.8 | -70.8 | -168.8 | 177 | -171.2 | 0 | 113.8 | N357 A358 N361 F362 | N357-K391 CarbonylContact C-O 3.33Å; N357-K391 WeakPolarHBondContact CA-O 3.35Å; N357-K391 PolarHBondContact OD1-O 3.16Å; A358-K391 PolarHBondContact N-O 3.48Å; N361-K391 WeakPolarHBondContact OD1-CE 3.33Å; N361-K391 WeakPolarHBondContact OD1-CG 3.33Å; F362-K391 VanDerWaalsContact CE1-O 3.29Å; F362-K391 WeakPolarHBondContact CE1-O 3.04Å |
| 392 | E | 91.4 | Very high | 79.6 | Confident | 139 Ų | 139 | 81.6 Ų | 81.6 | 65% | 0.65 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144 | 150.3 | 179.2 | 64.2 | -178.7 | -174 | 0 | 0 | 109.9 | I356 N357 | I356-E392 CarbonylContact O-C 3.55Å; I356-E392 VanDerWaalsContact O-CA 3.27Å; I356-E392 WeakPolarHBondContact O-CA 2.99Å; N357-E392 HydrophobicContact CB-CB 4.33Å |
| 393 | H | 90.8 | Very high | 78.5 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 137.4 | 172.9 | -172.2 | 60.9 | 0 | 0 | 0 | 109.7 | S355 I356 L364 I385 I390 | S355-H393 CarbonylContact C-O 3.52Å; S355-H393 WeakPolarHBondContact CA-O 3.23Å; I356-H393 HydrophobicContact CG2-CB 3.9Å; I356-H393 PolarHBondContact N-O 2.01Å; I356-H393 PolarHBondContact O-N 2.77Å; L364-H393 HydrophobicContact CD2-CB 3.66Å; L364-H393 WeakPolarHBondContact CD2-CD2 3.39Å; I385-H393 VanDerWaalsContact CD1-NE2 3.3Å; I385-H393 WeakPolarHBondContact CD1-NE2 3.13Å; I390-H393 HydrophobicContact CD1-CB 3.74Å |
| 394 | R | 88.9 | Confident | 77.3 | Confident | 165 Ų | 165 | 77.8 Ų | 77.8 | 62% | 0.623 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 125.2 | 175.1 | -177.9 | 176.8 | 179.3 | 173.9 | 4.9 | 107.6 | E353 M354 | E353-R394 HydrophobicContact CG-CG 4.47Å; E353-R394 IonicContact OE1-CZ 2.8Å; E353-R394 IonicContact OE1-NE 2.76Å; E353-R394 PolarHBondContact OE1-NE 2.81Å; E353-R394 IonicContact OE1-NH2 3.91Å; E353-R394 PolarHBondContact OE1-NH2 3.2Å; E353-R394 IonicContact OE2-CZ 2.94Å; E353-R394 IonicContact OE2-NE 2.69Å; E353-R394 IonicContact OE2-NH2 3.06Å; E353-R394 PolarHBondContact OE2-NH2 3.33Å; M354-R394 WeakPolarHBondContact O-CA 3.23Å |
| 395 | D | 82.9 | Confident | 75.5 | Confident | 64 Ų | 64 | 85 Ų | 85 | 34% | 0.342 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 152.4 | 175.9 | -149.1 | -16.8 | 0 | 0 | 0 | 111.2 | E353 M354 I385 F397 | E353-D395 WeakPolarHBondContact CA-O 2.96Å; M354-D395 PolarHBondContact N-O 2.82Å; M354-D395 PolarHBondContact O-N 2.79Å; I385-D395 HydrophobicContact CD1-CB 3.69Å; I385-D395 WeakPolarHBondContact CD1-OD2 3.31Å; D395-F397 HydrophobicContact CB-CZ 4.31Å |
| 396 | S | 80.9 | Confident | 73.7 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.7 | -179.6 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 397 | F | 74.8 | Confident | 71.9 | Confident | 4 Ų | 4 | 90.4 Ų | 90.4 | 2% | 0.018 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 101.6 | 177.6 | -53.9 | -74.6 | 0 | 0 | 0 | 108.9 | L352 M354 I366 V384 I385 D395 F402 F412 | L352-F397 HydrophobicContact CB-CB 4.5Å; L352-F397 PolarHBondContact N-O 3.2Å; L352-F397 WeakPolarHBondContact O-CD2 3.39Å; L352-F397 PolarHBondContact O-N 2.85Å; M354-F397 HydrophobicContact CB-CD2 4.47Å; M354-F397 HydrophobicContact CB-CE2 3.81Å; I366-F397 HydrophobicContact CD1-CZ 4.03Å; I366-F397 HydrophobicContact CG2-CZ 4.09Å; V384-F397 HydrophobicContact CB-CE1 4.26Å; V384-F397 HydrophobicContact CG1-CD1 3.99Å; V384-F397 HydrophobicContact CG1-CE1 3.61Å; I385-F397 HydrophobicContact CD1-CE1 3.63Å; I385-F397 HydrophobicContact CD1-CZ 3.54Å; I385-F397 HydrophobicContact CG1-CE1 4.06Å; I385-F397 HydrophobicContact CG1-CZ 4.27Å; D395-F397 HydrophobicContact CB-CZ 4.31Å; F397-F402 HydrophobicContact CB-CD2 4.3Å; F397-F402 HydrophobicContact CB-CE2 4.02Å; F397-F402 AromaticContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CZ 4.03Å; F397-F412 HydrophobicContact CB-CE1 4.37Å; F397-F412 HydrophobicContact CB-CZ 4.27Å; F397-F412 HydrophobicContact CD1-CE1 4.45Å; F397-F412 HydrophobicContact CD2-CE1 4.41Å; F397-F412 HydrophobicContact CG-CE1 4.16Å |
| 398 | S | 62.9 | Low | 70.2 | Confident | 34 Ų | 34 | 91.7 Ų | 91.7 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | trans | -81.1 | 144.7 | -174.1 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | N351 E400 K401 F402 F404 | N351-S398 VanDerWaalsContact OD1-CA 3.27Å; N351-S398 WeakPolarHBondContact OD1-CA 3.3Å; S398-E400 PolarHBondContact O-N 3.44Å; S398-E400 VanDerWaalsContact O-N 3.13Å; S398-K401 PolarHBondContact O-N 2.99Å; S398-F402 WeakPolarHBondContact O-CD2 3.34Å; S398-F404 WeakPolarHBondContact O-CE2 3.27Å | ||
| 399 | C | 59 | Low | 68.8 | Low | 13 Ų | 13 | 89.2 Ų | 89.2 | 9% | 0.088 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.8 | -32.9 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 113.6 | N351 N403 F404 | N351-C399 PolarHBondContact OD1-N 2.82Å; C399-N403 PolarHBondContact O-N 3.07Å; C399-F404 VanDerWaalsContact CA-CE2 3.43Å; C399-F404 HydrophobicContact CB-CD2 4.02Å; C399-F404 HydrophobicContact CB-CE2 4.41Å; C399-F404 WeakPolarHBondContact O-CD2 3.28Å |
| 400 | E | 55.1 | Low | 67.9 | Low | 180 Ų | 180 | 84.2 Ų | 84.2 | 84% | 0.841 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -78.2 | -31.3 | -174.5 | -60.5 | -179.2 | 169.1 | 0 | 0 | 112.9 | S398 | S398-E400 PolarHBondContact O-N 3.44Å; S398-E400 VanDerWaalsContact O-N 3.13Å |
| 401 | K | 56.7 | Low | 67.3 | Low | 173 Ų | 173 | 82.8 Ų | 82.8 | 75% | 0.752 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -77.2 | -31.5 | 179.5 | -95.6 | -176.4 | 174.1 | 177.5 | 0 | 113.4 | S398 | S398-K401 PolarHBondContact O-N 2.99Å |
| 402 | F | 56.9 | Low | 67.1 | Low | 36 Ų | 36 | 77.2 Ų | 77.2 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -110.9 | 4.3 | -174.2 | -57.9 | -85.8 | 0 | 0 | 0 | 113.7 | W368 V384 F397 S398 F404 | W368-F402 HydrophobicContact CD2-CD1 4.5Å; W368-F402 AromaticContact CE2-CD1 4Å; W368-F402 HydrophobicContact CZ2-CD1 4.23Å; V384-F402 HydrophobicContact CG1-CE1 3.83Å; V384-F402 HydrophobicContact CG1-CZ 3.59Å; V384-F402 HydrophobicContact CG2-CE1 4.08Å; F397-F402 HydrophobicContact CB-CD2 4.3Å; F397-F402 HydrophobicContact CB-CE2 4.02Å; F397-F402 AromaticContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CZ 4.03Å; S398-F402 WeakPolarHBondContact O-CD2 3.34Å; F402-F404 HydrophobicContact CB-CD2 4.15Å; F402-F404 HydrophobicContact CB-CE2 3.61Å; F402-F404 HydrophobicContact CB-CZ 4.04Å; F402-F404 HydrophobicContact CD2-CE2 4.35Å; F402-F404 HydrophobicContact CG-CE2 4.42Å; F402-F404 PolarHBondContact O-N 3.49Å |
| 403 | N | 52.7 | Low | 66.9 | Low | 83 Ų | 83 | 71.1 Ų | 71.1 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 51.5 | 171.3 | -153.7 | -6.8 | 0 | 0 | 0 | 114.8 | C399 R405 L406 | C399-N403 PolarHBondContact O-N 3.07Å; N403-R405 PolarHBondContact O-N 2.89Å; N403-L406 WeakPolarHBondContact ND2-CD1 3.04Å; N403-L406 PolarHBondContact O-N 2.85Å |
| 404 | F | 53.7 | Low | 67 | Low | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.2 | -14.5 | -179.7 | -59.3 | -105.1 | 0 | 0 | 0 | 113.8 | A348 S398 C399 F402 L406 H407 I410 F412 | A348-F404 WeakPolarHBondContact O-CB 3.27Å; S398-F404 WeakPolarHBondContact O-CE2 3.27Å; C399-F404 VanDerWaalsContact CA-CE2 3.43Å; C399-F404 HydrophobicContact CB-CD2 4.02Å; C399-F404 HydrophobicContact CB-CE2 4.41Å; C399-F404 WeakPolarHBondContact O-CD2 3.28Å; F402-F404 HydrophobicContact CB-CD2 4.15Å; F402-F404 HydrophobicContact CB-CE2 3.61Å; F402-F404 HydrophobicContact CB-CZ 4.04Å; F402-F404 HydrophobicContact CD2-CE2 4.35Å; F402-F404 HydrophobicContact CG-CE2 4.42Å; F402-F404 PolarHBondContact O-N 3.49Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-L406 PolarHBondContact O-N 3.32Å; F404-H407 PolarHBondContact O-N 3.29Å; F404-I410 HydrophobicContact CB-CD1 3.99Å; F404-I410 HydrophobicContact CD1-CB 4.33Å; F404-I410 HydrophobicContact CD1-CD1 3.23Å; F404-I410 HydrophobicContact CD1-CG1 4.34Å; F404-I410 HydrophobicContact CD1-CG2 4.48Å; F404-I410 HydrophobicContact CE1-CB 4.42Å; F404-I410 HydrophobicContact CE1-CD1 3.81Å; F404-I410 HydrophobicContact CE1-CG2 4.1Å; F404-I410 HydrophobicContact CG-CD1 3.67Å; F404-F412 HydrophobicContact CE1-CE2 4.04Å; F404-F412 HydrophobicContact CE1-CZ 4.1Å; F404-F412 HydrophobicContact CZ-CE2 4.34Å; F404-F412 AromaticContact CZ-CZ 3.99Å; F404-F412 HydrophobicContact CZ-CZ 3.99Å |
| 405 | R | 45.3 | Very low | 67.2 | Low | 197 Ų | 197 | 63.8 Ų | 63.8 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -68.5 | -27.5 | -179.2 | -69.3 | -167.5 | -176.9 | -152.8 | 3.9 | 114.2 | N403 H407 | N403-R405 PolarHBondContact O-N 2.89Å; R405-H407 VanDerWaalsContact C-N 3.31Å |
| 406 | L | 47.2 | Very low | 67.8 | Low | 120 Ų | 120 | 60.8 Ų | 60.8 | 63% | 0.628 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -88.3 | -7 | -179.5 | -72.6 | 167.5 | 0 | 0 | 0 | 112.5 | N403 F404 | N403-L406 WeakPolarHBondContact ND2-CD1 3.04Å; N403-L406 PolarHBondContact O-N 2.85Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-L406 PolarHBondContact O-N 3.32Å |
| 407 | H | 53.2 | Low | 68.5 | Low | 61 Ų | 61 | 60.1 Ų | 60.1 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | trans | -148.7 | 78.5 | -143.3 | -87.5 | 4.4 | 0 | 0 | 0 | 110.6 | F370 F404 R405 N409 I410 | F370-H407 AromaticContact CD1-CD2 3.65Å; F370-H407 AromaticContact CD1-CE1 3.35Å; F370-H407 WeakPolarHBondContact CD1-CE1 3.15Å; F370-H407 AromaticContact CD1-CG 3.7Å; F370-H407 AromaticContact CD1-ND1 3.52Å; F370-H407 AromaticContact CD1-NE2 3.45Å; F370-H407 WeakPolarHBondContact CD1-NE2 3.21Å; F370-H407 HydrophobicContact CD2-CB 3.3Å; F370-H407 AromaticContact CD2-CD2 3.37Å; F370-H407 WeakPolarHBondContact CD2-CD2 3.38Å; F370-H407 AromaticContact CD2-CG 3.2Å; F370-H407 AromaticContact CD2-ND1 3.86Å; F370-H407 HydrophobicContact CE1-CB 4.23Å; F370-H407 AromaticContact CE1-CD2 3.89Å; F370-H407 AromaticContact CE1-CE1 3.15Å; F370-H407 WeakPolarHBondContact CE1-CE1 3.43Å; F370-H407 AromaticContact CE1-CG 3.45Å; F370-H407 VanDerWaalsContact CE1-CG 3.45Å; F370-H407 AromaticContact CE1-ND1 2.96Å; F370-H407 WeakPolarHBondContact CE1-ND1 3.38Å; F370-H407 AromaticContact CE1-NE2 3.74Å; F370-H407 HydrophobicContact CE2-CB 2.89Å; F370-H407 AromaticContact CE2-CD2 3.74Å; F370-H407 AromaticContact CE2-CG 3.04Å; F370-H407 AromaticContact CE2-ND1 3.45Å; F370-H407 WeakPolarHBondContact CE2-ND1 3.49Å; F370-H407 HydrophobicContact CG-CB 4.21Å; F370-H407 AromaticContact CG-CD2 3.4Å; F370-H407 VanDerWaalsContact CG-CD2 3.4Å; F370-H407 WeakPolarHBondContact CG-CD2 3.02Å; F370-H407 AromaticContact CG-CE1 3.96Å; F370-H407 AromaticContact CG-CG 3.6Å; F370-H407 AromaticContact CG-ND1 3.95Å; F370-H407 AromaticContact CG-NE2 3.67Å; F370-H407 HydrophobicContact CZ-CB 3.41Å; F370-H407 VanDerWaalsContact CZ-CB 3.41Å; F370-H407 AromaticContact CZ-CD2 3.95Å; F370-H407 AromaticContact CZ-CE1 3.67Å; F370-H407 AromaticContact CZ-CG 3.14Å; F370-H407 AromaticContact CZ-ND1 2.95Å; F370-H407 WeakPolarHBondContact CZ-ND1 3.3Å; F404-H407 PolarHBondContact O-N 3.29Å; R405-H407 VanDerWaalsContact C-N 3.31Å; H407-N409 VanDerWaalsContact C-N 3.29Å; H407-N409 PolarHBondContact O-N 2Å; H407-I410 HydrophobicContact CB-CD1 4.13Å; H407-I410 HydrophobicContact CB-CG1 4.34Å | ||
| 408 | H | 54.6 | Low | 69.4 | Low | 147 Ų | 147 | 65.4 Ų | 65.4 | 68% | 0.681 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -67.2 | -16.8 | -171.6 | -61.5 | -54.8 | 0 | 0 | 0 | 116.1 | ||
| 409 | N | 62.8 | Low | 70.9 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | trans | -123.7 | 68.9 | -175.9 | -65.2 | -9.8 | 0 | 0 | 0 | 111.1 | S371 H407 | S371-N409 PolarHBondContact N-O 3.22Å; H407-N409 VanDerWaalsContact C-N 3.29Å; H407-N409 PolarHBondContact O-N 2Å | ||
| 410 | I | 73.5 | Confident | 72.4 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132.4 | 171.9 | -70.1 | 163.9 | 0 | 0 | 0 | 108.7 | P345 W368 F370 F404 H407 F412 | P345-I410 WeakPolarHBondContact CD-O 3.21Å; W368-I410 HydrophobicContact CE3-CG1 4.49Å; W368-I410 HydrophobicContact CE3-CG2 4.1Å; W368-I410 HydrophobicContact CZ3-CG1 4.41Å; F370-I410 HydrophobicContact CD2-CG1 3.88Å; F370-I410 HydrophobicContact CE2-CG1 4.31Å; F404-I410 HydrophobicContact CB-CD1 3.99Å; F404-I410 HydrophobicContact CD1-CB 4.33Å; F404-I410 HydrophobicContact CD1-CD1 3.23Å; F404-I410 HydrophobicContact CD1-CG1 4.34Å; F404-I410 HydrophobicContact CD1-CG2 4.48Å; F404-I410 HydrophobicContact CE1-CB 4.42Å; F404-I410 HydrophobicContact CE1-CD1 3.81Å; F404-I410 HydrophobicContact CE1-CG2 4.1Å; F404-I410 HydrophobicContact CG-CD1 3.67Å; H407-I410 HydrophobicContact CB-CD1 4.13Å; H407-I410 HydrophobicContact CB-CG1 4.34Å; I410-F412 HydrophobicContact CG2-CD2 4.26Å; I410-F412 HydrophobicContact CG2-CE2 3.77Å; I410-F412 HydrophobicContact CG2-CZ 4.16Å |
| 411 | T | 80.1 | Confident | 74.1 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.6 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | V342 W368 S369 S372 Y413 | V342-T411 HydrophobicContact CG2-CG2 3.21Å; W368-T411 WeakPolarHBondContact CA-O 2.92Å; S369-T411 PolarHBondContact N-O 3.05Å; S369-T411 PolarHBondContact O-N 3.4Å; S372-T411 WeakPolarHBondContact OG-CB 3.41Å; S372-T411 PolarHBondContact OG-OG1 2.8Å; S372-T411 VanDerWaalsContact OG-OG1 3.05Å; T411-Y413 HydrophobicContact CG2-CE1 4.09Å; T411-Y413 HydrophobicContact CG2-CE2 4.19Å |
| 412 | F | 85.1 | Confident | 75.9 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.8 | 171.3 | -67.9 | -89.2 | 0 | 0 | 0 | 109.9 | V342 A343 P345 L352 I366 T367 W368 F397 F404 I410 | V342-F412 WeakPolarHBondContact CA-O 3.48Å; A343-F412 HydrophobicContact CB-CB 4.39Å; A343-F412 PolarHBondContact N-O 2.04Å; A343-F412 PolarHBondContact O-N 2.88Å; P345-F412 HydrophobicContact CG-CD2 4.5Å; P345-F412 HydrophobicContact CG-CE2 4.27Å; L352-F412 HydrophobicContact CD2-CD2 3.43Å; L352-F412 VanDerWaalsContact CD2-CD2 3.43Å; L352-F412 HydrophobicContact CD2-CE2 3.52Å; L352-F412 HydrophobicContact CD2-CG 3.99Å; L352-F412 HydrophobicContact CD2-CZ 4.15Å; I366-F412 HydrophobicContact CG2-CD1 4.4Å; T367-F412 WeakPolarHBondContact O-CA 3.27Å; W368-F412 HydrophobicContact CB-CD1 3.91Å; W368-F412 HydrophobicContact CB-CE1 3.97Å; F397-F412 HydrophobicContact CB-CE1 4.37Å; F397-F412 HydrophobicContact CB-CZ 4.27Å; F397-F412 HydrophobicContact CD1-CE1 4.45Å; F397-F412 HydrophobicContact CD2-CE1 4.41Å; F397-F412 HydrophobicContact CG-CE1 4.16Å; F404-F412 HydrophobicContact CE1-CE2 4.04Å; F404-F412 HydrophobicContact CE1-CZ 4.1Å; F404-F412 HydrophobicContact CZ-CE2 4.34Å; F404-F412 AromaticContact CZ-CZ 3.99Å; F404-F412 HydrophobicContact CZ-CZ 3.99Å; I410-F412 HydrophobicContact CG2-CD2 4.26Å; I410-F412 HydrophobicContact CG2-CE2 3.77Å; I410-F412 HydrophobicContact CG2-CZ 4.16Å |
| 413 | Y | 88.8 | Confident | 77.6 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.8 | 170.6 | -58 | -80.8 | 0 | 0 | 0 | 109.5 | Y315 V342 I366 T367 S369 S372 E381 T411 | Y315-Y413 AromaticContact CD1-CD1 3.85Å; Y315-Y413 HydrophobicContact CD1-CD1 3.85Å; Y315-Y413 AromaticContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CE1 4.26Å; Y315-Y413 HydrophobicContact CE1-CG 4.33Å; Y315-Y413 HydrophobicContact CG-CD1 4.5Å; V342-Y413 HydrophobicContact CB-CD1 4.29Å; V342-Y413 HydrophobicContact CB-CE1 4.46Å; V342-Y413 HydrophobicContact CG2-CD1 3.97Å; V342-Y413 HydrophobicContact CG2-CE1 3.82Å; I366-Y413 WeakPolarHBondContact CA-O 3.35Å; T367-Y413 PolarHBondContact N-O 2.92Å; T367-Y413 PolarHBondContact O-N 3.43Å; T367-Y413 WeakPolarHBondContact OG1-CB 3.1Å; S369-Y413 WeakPolarHBondContact OG-CE2 3.47Å; S372-Y413 WeakPolarHBondContact CB-OH 3.14Å; E381-Y413 HydrophobicContact CG-CD2 4.15Å; E381-Y413 HydrophobicContact CG-CE2 4.22Å; T411-Y413 HydrophobicContact CG2-CE1 4.09Å; T411-Y413 HydrophobicContact CG2-CE2 4.19Å |
| 414 | V | 91.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 110.4 | -174 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | N340 F341 M354 L364 I366 V416 | N340-V414 CarbonylContact C-O 3.5Å; N340-V414 WeakPolarHBondContact CA-O 3.07Å; F341-V414 HydrophobicContact CB-CB 4.17Å; F341-V414 HydrophobicContact CD2-CB 4.34Å; F341-V414 HydrophobicContact CD2-CG1 4.19Å; F341-V414 PolarHBondContact N-O 3.43Å; F341-V414 PolarHBondContact O-N 3.14Å; M354-V414 HydrophobicContact CE-CB 3.93Å; M354-V414 HydrophobicContact CE-CG1 3.64Å; M354-V414 HydrophobicContact CE-CG2 3.45Å; M354-V414 VanDerWaalsContact CE-CG2 3.45Å; M354-V414 HydrophobicContact SD-CB 4.31Å; M354-V414 HydrophobicContact SD-CG1 4.16Å; M354-V414 HydrophobicContact SD-CG2 3.31Å; M354-V414 WeakPolarHBondContact SD-CG2 3.47Å; L364-V414 HydrophobicContact CD1-CG1 3.69Å; I366-V414 HydrophobicContact CG1-CG1 4.17Å; I366-V414 HydrophobicContact CG1-CG2 4.21Å; I366-V414 HydrophobicContact CG2-CG2 4.22Å; V414-V416 HydrophobicContact CG1-CG2 4.35Å |
| 415 | Y | 93.8 | Very high | 81.5 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.5 | -177.9 | -57.1 | -87 | 0 | 0 | 0 | 109 | T313 Y315 N340 L364 N365 T367 E381 | T313-Y415 HydrophobicContact CG2-CE1 4.36Å; Y315-Y415 HydrophobicContact CE1-CD1 4.46Å; Y315-Y415 AromaticContact CE1-CE1 3.58Å; Y315-Y415 HydrophobicContact CE1-CE1 3.58Å; Y315-Y415 AromaticContact CE1-CZ 3.82Å; Y315-Y415 PolarHBondContact OH-OH 3.49Å; N340-Y415 HydrophobicContact CB-CD1 4.27Å; N340-Y415 WeakPolarHBondContact OD1-CD1 3.26Å; L364-Y415 WeakPolarHBondContact CA-O 3.15Å; N365-Y415 HydrophobicContact CB-CD2 4.47Å; N365-Y415 PolarHBondContact N-O 2.94Å; N365-Y415 PolarHBondContact O-N 3.16Å; T367-Y415 HydrophobicContact CG2-CD2 4.47Å; T367-Y415 HydrophobicContact CG2-CE2 4.1Å; E381-Y415 PolarHBondContact OE1-OH 3.02Å; E381-Y415 VanDerWaalsContact OE1-OH 3.08Å; E381-Y415 PolarHBondContact OE2-OH 2.75Å |
| 416 | V | 95.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118 | 175 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | A338 I339 F341 I356 F362 N363 L364 V414 F419 I425 | A338-V416 CarbonylContact C-O 3.42Å; A338-V416 WeakPolarHBondContact CA-O 3.41Å; I339-V416 HydrophobicContact CG2-CB 3.85Å; I339-V416 HydrophobicContact CG2-CG1 4.23Å; I339-V416 PolarHBondContact N-O 2.97Å; I339-V416 WeakPolarHBondContact O-CB 3.39Å; I339-V416 PolarHBondContact O-N 2.84Å; I339-V416 VanDerWaalsContact O-O 3.1Å; F341-V416 HydrophobicContact CD2-CG2 4.2Å; F341-V416 HydrophobicContact CE2-CB 4.45Å; F341-V416 HydrophobicContact CE2-CG2 3.76Å; I356-V416 HydrophobicContact CD1-CG2 3.35Å; F362-V416 HydrophobicContact CB-CG1 3.89Å; F362-V416 HydrophobicContact CD2-CG1 3.67Å; F362-V416 HydrophobicContact CE2-CG1 4.38Å; F362-V416 HydrophobicContact CG-CG1 3.88Å; N363-V416 WeakPolarHBondContact O-CA 3.26Å; L364-V416 HydrophobicContact CD1-CG2 4.08Å; V414-V416 HydrophobicContact CG1-CG2 4.35Å; V416-F419 HydrophobicContact CG1-CD1 4.05Å; V416-F419 HydrophobicContact CG1-CE1 4.29Å; V416-I425 HydrophobicContact CG1-CD1 4.27Å |
| 417 | S | 95.1 | Very high | 86 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 167.1 | -170.2 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | T337 N363 F419 | T337-S417 CarbonylContact O-C 3.58Å; N363-S417 WeakPolarHBondContact CB-O 3.32Å; N363-S417 PolarHBondContact N-O 3.47Å; N363-S417 PolarHBondContact O-N 3.05Å; S417-F419 VanDerWaalsContact C-N 3.27Å; S417-F419 PolarHBondContact O-N 2.85Å |
| 418 | N | 93.6 | Very high | 87.7 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 57.5 | 36.6 | 175.4 | -165.5 | 40.6 | 0 | 0 | 0 | 113.8 | T337 N363 | T337-N418 PolarHBondContact O-N 2.89Å; N363-N418 HydrophobicContact CB-CB 4.42Å |
| 419 | F | 94 | Very high | 89 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -95.4 | 157 | 167.6 | 60.2 | -101.6 | 0 | 0 | 0 | 110.9 | Y336 T337 A338 I339 F362 V416 S417 I423 I425 | Y336-F419 VanDerWaalsContact O-CE2 3.31Å; Y336-F419 WeakPolarHBondContact O-CE2 3.15Å; T337-F419 VanDerWaalsContact C-CE1 3.47Å; T337-F419 VanDerWaalsContact C-CZ 3.49Å; T337-F419 WeakPolarHBondContact O-CD1 3.04Å; T337-F419 WeakPolarHBondContact O-CE1 3.47Å; T337-F419 PolarHBondContact O-N 2.73Å; A338-F419 VanDerWaalsContact CA-CE1 3.41Å; I339-F419 HydrophobicContact CB-CE1 4.44Å; I339-F419 HydrophobicContact CG2-CE1 3.94Å; I339-F419 HydrophobicContact CG2-CZ 4.36Å; F362-F419 HydrophobicContact CB-CB 4.21Å; V416-F419 HydrophobicContact CG1-CD1 4.05Å; V416-F419 HydrophobicContact CG1-CE1 4.29Å; S417-F419 VanDerWaalsContact C-N 3.27Å; S417-F419 PolarHBondContact O-N 2.85Å; F419-I423 HydrophobicContact CB-CD1 3.55Å; F419-I423 HydrophobicContact CD2-CB 4.47Å; F419-I423 HydrophobicContact CD2-CD1 4.2Å; F419-I423 HydrophobicContact CD2-CG2 3.6Å; F419-I423 HydrophobicContact CE2-CG2 3.81Å; F419-I423 HydrophobicContact CG-CD1 3.92Å; F419-I423 HydrophobicContact CG-CG2 4.34Å; F419-I425 HydrophobicContact CD1-CD1 4.3Å; F419-I425 HydrophobicContact CE1-CD1 4.09Å; F419-I425 HydrophobicContact CZ-CD1 4.38Å | ||
| 420 | S | 91.5 | Very high | 89.9 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 51% | 0.51 | 18% | 0.184 | S | C | . | . | trans | -104.8 | 138.8 | 173.3 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | N360 | N360-S420 PolarHBondContact ND2-O 2.85Å; N360-S420 VanDerWaalsContact ND2-O 3.16Å | ||
| 421 | W | 90.9 | Very high | 89.9 | Confident | 90 Ų | 90 | 37.2 Ų | 37.2 | 34% | 0.341 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -68.7 | 144.3 | 166.6 | 176.3 | 97.2 | 0 | 0 | 0 | 110.4 | L328 L329 Q330 R334 | L328-W421 VanDerWaalsContact O-CD1 3.25Å; L328-W421 PolarHBondContact O-NE1 2.92Å; L329-W421 WeakPolarHBondContact O-CZ2 3.36Å; Q330-W421 PolarHBondContact O-NE1 3.27Å; R334-W421 HydrophobicContact CB-CD2 4.22Å; R334-W421 HydrophobicContact CB-CE3 4.35Å; R334-W421 HydrophobicContact CB-CG 4.43Å |
| 422 | P | 93.7 | Very high | 89.4 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 41% | 0.409 | 20% | 0.204 | S | C | . | . | S | Bend | cis | -81.4 | 143.9 | -3.8 | 31.5 | -33.6 | 0 | 0 | 0 | 112.6 | L328 L329 N360 | L328-P422 WeakPolarHBondContact O-CA 3.07Å; L329-P422 HydrophobicContact CD2-CB 3.89Å; N360-P422 PolarHBondContact ND2-O 3.26Å |
| 423 | I | 93.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.5 | -179.8 | -167.3 | 168.5 | 0 | 0 | 0 | 112.5 | L328 A358 N360 F419 I425 | L328-I423 HydrophobicContact CB-CG2 4.07Å; L328-I423 HydrophobicContact CD1-CG2 3.76Å; L328-I423 PolarHBondContact N-O 3.05Å; L328-I423 PolarHBondContact O-N 2.83Å; A358-I423 HydrophobicContact CB-CD1 3.9Å; A358-I423 HydrophobicContact CB-CG1 4.21Å; N360-I423 HydrophobicContact CB-CD1 3.95Å; N360-I423 HydrophobicContact CB-CG1 4.23Å; F419-I423 HydrophobicContact CB-CD1 3.55Å; F419-I423 HydrophobicContact CD2-CB 4.47Å; F419-I423 HydrophobicContact CD2-CD1 4.2Å; F419-I423 HydrophobicContact CD2-CG2 3.6Å; F419-I423 HydrophobicContact CE2-CG2 3.81Å; F419-I423 HydrophobicContact CG-CD1 3.92Å; F419-I423 HydrophobicContact CG-CG2 4.34Å; I423-I425 HydrophobicContact CD1-CD1 4.26Å; I423-I425 HydrophobicContact CD1-CG1 3.96Å; I423-I425 HydrophobicContact CG1-CG1 3.97Å; I423-I425 HydrophobicContact CG2-CD1 4.33Å; I423-I425 HydrophobicContact CG2-CG1 4.38Å |
| 424 | K | 93.8 | Very high | 86.3 | Confident | 104 Ų | 104 | 46.2 Ų | 46.2 | 45% | 0.452 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.6 | 164.3 | -66.3 | -177.8 | 178.4 | 178.6 | 0 | 109.3 | F326 L329 A358 S359 | F326-K424 CarbonylContact O-C 3.52Å; F326-K424 VanDerWaalsContact O-CA 3.32Å; F326-K424 WeakPolarHBondContact O-CA 3.3Å; L329-K424 HydrophobicContact CD2-CG 4.32Å; A358-K424 CarbonylContact C-O 3.54Å; A358-K424 WeakPolarHBondContact CA-O 3.46Å; A358-K424 WeakPolarHBondContact CB-O 3.36Å; S359-K424 PolarHBondContact N-O 2.85Å; S359-K424 PolarHBondContact OG-N 3Å |
| 425 | I | 94.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.4 | -180 | -56.3 | 169.9 | 0 | 0 | 0 | 108.1 | T325 F326 L328 I339 I356 N357 A358 V416 F419 I423 | T325-I425 CarbonylContact C-O 3.52Å; T325-I425 WeakPolarHBondContact CA-O 3.06Å; F326-I425 HydrophobicContact CB-CB 4.47Å; F326-I425 PolarHBondContact N-O 3.42Å; F326-I425 PolarHBondContact O-N 3.11Å; L328-I425 HydrophobicContact CD1-CD1 4.32Å; I339-I425 HydrophobicContact CG2-CD1 3.74Å; I356-I425 HydrophobicContact CD1-CG2 4.02Å; I356-I425 HydrophobicContact CG1-CG2 4.13Å; N357-I425 CarbonylContact O-C 3.49Å; N357-I425 WeakPolarHBondContact O-CA 3.49Å; A358-I425 HydrophobicContact CB-CB 4.46Å; A358-I425 HydrophobicContact CB-CG1 3.95Å; V416-I425 HydrophobicContact CG1-CD1 4.27Å; F419-I425 HydrophobicContact CD1-CD1 4.3Å; F419-I425 HydrophobicContact CE1-CD1 4.09Å; F419-I425 HydrophobicContact CZ-CD1 4.38Å; I423-I425 HydrophobicContact CD1-CD1 4.26Å; I423-I425 HydrophobicContact CD1-CG1 3.96Å; I423-I425 HydrophobicContact CG1-CG1 3.97Å; I423-I425 HydrophobicContact CG2-CD1 4.33Å; I423-I425 HydrophobicContact CG2-CG1 4.38Å |
| 426 | Q | 93.6 | Very high | 83.6 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.4 | 173.2 | -62.2 | -170.4 | -43.3 | 0 | 0 | 108.8 | F324 T325 I356 N357 | F324-Q426 VanDerWaalsContact O-CA 3.32Å; F324-Q426 WeakPolarHBondContact O-CA 3.28Å; T325-Q426 HydrophobicContact CG2-CG 3.98Å; T325-Q426 PolarHBondContact OG1-NE2 2.96Å; I356-Q426 CarbonylContact C-O 3.55Å; I356-Q426 VanDerWaalsContact CA-O 3.31Å; I356-Q426 WeakPolarHBondContact CA-O 3.1Å; N357-Q426 PolarHBondContact N-O 2.86Å; N357-Q426 PolarHBondContact O-N 2.03Å |
| 427 | V | 92.7 | Very high | 83 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.1 | 179.2 | 61.8 | 0 | 0 | 0 | 0 | 109.5 | L318 F324 F326 F341 M354 S355 I356 | L318-V427 HydrophobicContact CD1-CG1 4.27Å; L318-V427 HydrophobicContact CD1-CG2 3.75Å; L318-V427 HydrophobicContact CD2-CG1 3.63Å; F324-V427 HydrophobicContact CB-CG1 4.05Å; F324-V427 PolarHBondContact N-O 2.97Å; F324-V427 PolarHBondContact O-N 2.83Å; F326-V427 HydrophobicContact CD2-CG1 4.38Å; F326-V427 HydrophobicContact CE2-CG1 3.89Å; F341-V427 HydrophobicContact CD1-CG1 4.46Å; F341-V427 HydrophobicContact CE1-CG1 4.21Å; F341-V427 HydrophobicContact CZ-CG1 4.28Å; M354-V427 HydrophobicContact CE-CG2 3.35Å; S355-V427 WeakPolarHBondContact O-CA 3.33Å; I356-V427 HydrophobicContact CG1-CB 4.47Å |
| 428 | R | 88 | Confident | 82.3 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 126.3 | -179.4 | -169.1 | -178.4 | -178 | -153.5 | -5.5 | 108.9 | Q323 S355 E430 | Q323-R428 HydrophobicContact CB-CB 4.23Å; Q323-R428 HydrophobicContact CB-CG 4.03Å; Q323-R428 HydrophobicContact CG-CB 4.28Å; S355-R428 PolarHBondContact N-O 3.15Å; S355-R428 PolarHBondContact O-N 3.47Å; S355-R428 PolarHBondContact OG-O 3.27Å; R428-E430 WeakPolarHBondContact CD-OE1 3.02Å; R428-E430 HydrophobicContact CG-CG 3.95Å; R428-E430 IonicContact CZ-OE1 3.93Å; R428-E430 IonicContact CZ-OE2 3.61Å; R428-E430 VanDerWaalsContact NE-CD 3.34Å; R428-E430 IonicContact NE-OE1 2.65Å; R428-E430 PolarHBondContact NE-OE1 3.15Å; R428-E430 IonicContact NE-OE2 3.28Å; R428-E430 IonicContact NH1-OE1 2.83Å; R428-E430 PolarHBondContact NH1-OE1 3.37Å; R428-E430 IonicContact NH1-OE2 3.2Å; R428-E430 PolarHBondContact NH1-OE2 3.08Å; R428-E430 IonicContact NH2-OE1 3.78Å; R428-E430 PolarHBondContact NH2-OE1 3.32Å; R428-E430 IonicContact NH2-OE2 2.68Å; R428-E430 PolarHBondContact NH2-OE2 2.96Å |
| 429 | G | 83.5 | Confident | 81.6 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108 | D321 E353 | D321-G429 WeakPolarHBondContact CA-O 3.1Å; D321-G429 PolarHBondContact N-O 3.46Å; E353-G429 CarbonylContact O-C 3.56Å; E353-G429 WeakPolarHBondContact O-CA 3.31Å |
| 430 | E | 80.1 | Confident | 80.8 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141 | 177.6 | -69.1 | 175.3 | -122.3 | 0 | 0 | 109.5 | D321 E353 R428 | D321-E430 WeakPolarHBondContact OD1-CA 2.82Å; E353-E430 HydrophobicContact CB-CB 4.43Å; E353-E430 PolarHBondContact N-O 3.43Å; E353-E430 PolarHBondContact O-N 2.76Å; R428-E430 WeakPolarHBondContact CD-OE1 3.02Å; R428-E430 HydrophobicContact CG-CG 3.95Å; R428-E430 IonicContact CZ-OE1 3.93Å; R428-E430 IonicContact CZ-OE2 3.61Å; R428-E430 VanDerWaalsContact NE-CD 3.34Å; R428-E430 IonicContact NE-OE1 2.65Å; R428-E430 PolarHBondContact NE-OE1 3.15Å; R428-E430 IonicContact NE-OE2 3.28Å; R428-E430 IonicContact NH1-OE1 2.83Å; R428-E430 PolarHBondContact NH1-OE1 3.37Å; R428-E430 IonicContact NH1-OE2 3.2Å; R428-E430 PolarHBondContact NH1-OE2 3.08Å; R428-E430 IonicContact NH2-OE1 3.78Å; R428-E430 PolarHBondContact NH2-OE1 3.32Å; R428-E430 IonicContact NH2-OE2 2.68Å; R428-E430 PolarHBondContact NH2-OE2 2.96Å |
| 431 | I | 74 | Confident | 80.1 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.8 | 174.8 | -82.5 | 168.7 | 0 | 0 | 0 | 109.6 | I320 D321 P345 K350 N351 L352 | I320-I431 HydrophobicContact CB-CD1 4Å; I320-I431 HydrophobicContact CG1-CD1 4.23Å; I320-I431 HydrophobicContact CG2-CB 4.09Å; I320-I431 HydrophobicContact CG2-CD1 3.31Å; I320-I431 HydrophobicContact CG2-CG1 3.41Å; I320-I431 VanDerWaalsContact CG2-CG1 3.41Å; D321-I431 PolarHBondContact OD1-N 3.36Å; P345-I431 HydrophobicContact CB-CD1 4.15Å; K350-I431 HydrophobicContact CB-CG2 3.27Å; K350-I431 HydrophobicContact CD-CG2 3.14Å; K350-I431 HydrophobicContact CG-CG2 3.85Å; N351-I431 WeakPolarHBondContact O-CA 3.43Å; L352-I431 HydrophobicContact CD1-CG1 4.17Å |
| 432 | H | 69.6 | Low | 79.4 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 38% | 0.375 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.8 | 175.9 | -63.9 | -82.9 | 0 | 0 | 0 | 111.1 | K350 N351 E353 S434 | K350-H432 WeakPolarHBondContact CB-O 3.24Å; N351-H432 PolarHBondContact N-O 3.42Å; N351-H432 PolarHBondContact O-N 2.98Å; E353-H432 IonicContact OE2-CD2 2.89Å; E353-H432 IonicContact OE2-CE1 2.93Å; E353-H432 IonicContact OE2-NE2 3.45Å; E353-H432 PolarHBondContact OE2-NE2 3.15Å; H432-S434 PolarHBondContact O-N 3.17Å |
| 433 | S | 56.9 | Low | 78.3 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.8 | 169.9 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | F435 | S433-F435 PolarHBondContact O-N 3.4Å; S433-F435 VanDerWaalsContact O-N 3.17Å |
| 434 | S | 53 | Low | 77 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | trans | -64.9 | 110.3 | 166.6 | -40.6 | 0 | 0 | 0 | 0 | 107.7 | N351 H432 | N351-S434 PolarHBondContact ND2-OG 3.19Å; N351-S434 PolarHBondContact OD1-OG 3.25Å; H432-S434 PolarHBondContact O-N 3.17Å | ||
| 435 | F | 44.2 | Very low | 75.5 | Confident | 264 Ų | 264 | 63.2 Ų | 63.2 | 100% | 1.158 | 31% | 0.313 | S | S | * | . | trans | -83.7 | 0 | 171.1 | -99.7 | -81.5 | 0 | 0 | 0 | 110.8 | S433 | S433-F435 PolarHBondContact O-N 3.4Å; S433-F435 VanDerWaalsContact O-N 3.17Å |
Retrieved 435 of 435 residues in 63.5 ms
(Link to these results)