| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 45.4 | Very low | 234 Ų | 234 | 159.5 Ų | 159.5 | 100% | 1.153 | 80% | 0.801 | S | S | * | * | 0 | 98.3 | 0 | -69.1 | 174 | -174.8 | 0 | 0 | 108.2 | |||||
| 2 | R | 39 | Very low | 46.8 | Very low | 214 Ų | 214 | 152.3 Ų | 152.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -121.1 | 113.9 | 171.9 | -80.8 | -174.7 | 177 | -166.5 | -4.6 | 106.5 | I4 Q337 | R2-I4 PolarHBondContact O-N 3.15Å; R2-Q337 PolarHBondContact NH1-O 3.39Å; R2-Q337 VanDerWaalsContact NH1-O 3.11Å; R2-Q337 PolarHBondContact NH2-O 3.23Å | ||
| 3 | Y | 42.4 | Very low | 47.9 | Very low | 218 Ų | 218 | 149.1 Ų | 149.1 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -64.6 | 123.1 | 175 | -74.5 | -94.1 | 0 | 0 | 0 | 109.1 | ||||
| 4 | I | 45.3 | Very low | 47.9 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | -87.8 | 105.3 | 166.1 | -58.7 | 174.8 | 0 | 0 | 0 | 105.6 | R2 | R2-I4 PolarHBondContact O-N 3.15Š| ||
| 5 | L | 42.7 | Very low | 48.9 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | trans | -73.7 | 136.9 | 165.9 | -109.9 | 103.1 | 0 | 0 | 0 | 108.7 | ||||
| 6 | P | 42.9 | Very low | 50 | Low | 98 Ų | 98 | 138.2 Ų | 138.2 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -74.3 | 142.9 | -174.1 | -1.9 | 18 | 0 | 0 | 0 | 111.8 | S8 | P6-S8 PolarHBondContact O-N 3.18Š| ||
| 7 | S | 47 | Very low | 51 | Low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -69.6 | 23.6 | -177.3 | 52 | 0 | 0 | 0 | 0 | 116.1 | F9 | S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 3.15Å |
| 8 | S | 51.2 | Low | 51.9 | Low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 9.9 | -171.7 | 46.5 | 0 | 0 | 0 | 0 | 115.9 | P6 | P6-S8 PolarHBondContact O-N 3.18Š|
| 9 | F | 48 | Very low | 52.7 | Low | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.842 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 7.6 | -178.1 | -87.5 | -79.4 | 0 | 0 | 0 | 116.2 | S7 I11 | S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 3.15Å; F9-I11 PolarHBondContact O-N 3.23Å; F9-I11 VanDerWaalsContact O-N 3.07Å |
| 10 | L | 47.8 | Very low | 53.6 | Low | 149 Ų | 149 | 128.7 Ų | 128.7 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | trans | -84.9 | 80.5 | 174.7 | -65.7 | 172.7 | 0 | 0 | 0 | 110.2 | P12 | L10-P12 WeakPolarHBondContact O-CD 3.12Å; L10-P12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | I | 53.1 | Low | 54.3 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | trans | -52.6 | 121.7 | 154.5 | -63.2 | 173.9 | 0 | 0 | 0 | 105.5 | F9 T13 L15 | F9-I11 PolarHBondContact O-N 3.23Å; F9-I11 VanDerWaalsContact O-N 3.07Å; I11-T13 PolarHBondContact O-N 3.29Å; I11-L15 HydrophobicContact CG2-CB 4.43Å | ||
| 12 | P | 61.5 | Low | 55.6 | Low | 73 Ų | 73 | 121.6 Ų | 121.6 | 47% | 0.474 | 64% | 0.637 | S | S | . | * | trans | -51.7 | 120.5 | -179.5 | -22.8 | 27.9 | 0 | 0 | 0 | 108.6 | L10 C14 L15 L16 | L10-P12 WeakPolarHBondContact O-CD 3.12Å; L10-P12 VanDerWaalsContact O-N 3.15Å; P12-C14 PolarHBondContact O-N 3.5Å; P12-L15 HydrophobicContact CB-CD1 4.41Å; P12-L15 HydrophobicContact CB-CG 4.27Å; P12-L15 HydrophobicContact CG-CD1 3.95Å; P12-L15 HydrophobicContact CG-CG 4.34Å; P12-L15 WeakPolarHBondContact O-CB 3.37Å; P12-L15 PolarHBondContact O-N 3.01Å; P12-L16 PolarHBondContact O-N 2.91Å | ||
| 13 | T | 61.8 | Low | 56.9 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.6 | -31 | -179.4 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | I11 L16 V17 | I11-T13 PolarHBondContact O-N 3.29Å; T13-L16 PolarHBondContact O-N 3.28Å; T13-V17 VanDerWaalsContact O-CG2 3.27Å; T13-V17 WeakPolarHBondContact O-CG2 3.49Å; T13-V17 PolarHBondContact O-N 3.2Å |
| 14 | C | 48.2 | Very low | 58 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.8 | -44.3 | 171.2 | -67.9 | 0 | 0 | 0 | 0 | 114 | P12 L16 V17 I18 | P12-C14 PolarHBondContact O-N 3.5Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 2.95Å; C14-V17 PolarHBondContact O-N 3.29Å; C14-I18 WeakPolarHBondContact O-CB 3.31Å; C14-I18 WeakPolarHBondContact O-CD1 3.41Å; C14-I18 WeakPolarHBondContact O-CG1 3.4Å; C14-I18 PolarHBondContact O-N 2.83Å |
| 15 | L | 62.4 | Low | 59.2 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 178.3 | -72 | 178.9 | 0 | 0 | 0 | 110.8 | I11 P12 I18 L19 | I11-L15 HydrophobicContact CG2-CB 4.43Å; P12-L15 HydrophobicContact CB-CD1 4.41Å; P12-L15 HydrophobicContact CB-CG 4.27Å; P12-L15 HydrophobicContact CG-CD1 3.95Å; P12-L15 HydrophobicContact CG-CG 4.34Å; P12-L15 WeakPolarHBondContact O-CB 3.37Å; P12-L15 PolarHBondContact O-N 3.01Å; L15-I18 PolarHBondContact O-N 3.38Å; L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CD1 3.22Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.45Å |
| 16 | L | 65.8 | Low | 60.6 | Low | 95 Ų | 95 | 99.6 Ų | 99.6 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 176.1 | -169.7 | 72.1 | 0 | 0 | 0 | 111.1 | P12 T13 C14 I18 L19 L20 | P12-L16 PolarHBondContact O-N 2.91Å; T13-L16 PolarHBondContact O-N 3.28Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 2.95Å; L16-I18 PolarHBondContact O-N 3.26Å; L16-L19 PolarHBondContact O-N 3.49Å; L16-L20 HydrophobicContact CG-CD1 4.04Å; L16-L20 HydrophobicContact CG-CG 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.99Å |
| 17 | V | 67.7 | Low | 62 | Low | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | T13 C14 T21 | T13-V17 VanDerWaalsContact O-CG2 3.27Å; T13-V17 WeakPolarHBondContact O-CG2 3.49Å; T13-V17 PolarHBondContact O-N 3.2Å; C14-V17 PolarHBondContact O-N 3.29Å; V17-T21 HydrophobicContact CG1-CG2 4.38Å; V17-T21 WeakPolarHBondContact O-CB 3.38Å; V17-T21 VanDerWaalsContact O-CG2 3.26Å; V17-T21 WeakPolarHBondContact O-CG2 3.12Å; V17-T21 PolarHBondContact O-N 2.79Å; V17-T21 PolarHBondContact O-OG1 3.16Å |
| 18 | I | 67.8 | Low | 63.2 | Low | 83 Ų | 83 | 97.4 Ų | 97.4 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 176.9 | -68 | 164.2 | 0 | 0 | 0 | 111.1 | C14 L15 L16 T21 K22 | C14-I18 WeakPolarHBondContact O-CB 3.31Å; C14-I18 WeakPolarHBondContact O-CD1 3.41Å; C14-I18 WeakPolarHBondContact O-CG1 3.4Å; C14-I18 PolarHBondContact O-N 2.83Å; L15-I18 PolarHBondContact O-N 3.38Å; L16-I18 PolarHBondContact O-N 3.26Å; I18-T21 WeakPolarHBondContact CA-OG1 3.26Å; I18-T21 PolarHBondContact O-OG1 3.49Å; I18-K22 HydrophobicContact CG2-CD 4.29Å; I18-K22 WeakPolarHBondContact O-CB 3.34Å; I18-K22 WeakPolarHBondContact O-CG 3.38Å; I18-K22 PolarHBondContact O-N 2.98Å |
| 19 | L | 67.3 | Low | 64.4 | Low | 113 Ų | 113 | 92.9 Ų | 92.9 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.2 | -46.7 | 177.7 | -75.3 | 166.3 | 0 | 0 | 0 | 111.2 | L15 L16 K22 F23 | L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CD1 3.22Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.45Å; L16-L19 PolarHBondContact O-N 3.49Å; L19-K22 PolarHBondContact O-N 3.24Å; L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.16Å; L19-F23 PolarHBondContact O-N 2.95Å |
| 20 | L | 70.3 | Confident | 65.9 | Low | 82 Ų | 82 | 84 Ų | 84 | 43% | 0.429 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 177.9 | -71.6 | 172.2 | 0 | 0 | 0 | 111.3 | L16 K22 F23 F24 | L16-L20 HydrophobicContact CG-CD1 4.04Å; L16-L20 HydrophobicContact CG-CG 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.99Å; L20-K22 PolarHBondContact O-N 3.33Å; L20-F23 WeakPolarHBondContact O-CB 3.44Å; L20-F23 PolarHBondContact O-N 2.77Å; L20-F24 HydrophobicContact CB-CD2 4.37Å; L20-F24 HydrophobicContact CB-CE2 4.32Å; L20-F24 HydrophobicContact CD2-CE2 4.41Å; L20-F24 WeakPolarHBondContact O-CD2 3.4Å; L20-F24 PolarHBondContact O-N 3.17Å |
| 21 | T | 67.6 | Low | 67.4 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 178.7 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | V17 I18 N25 | V17-T21 HydrophobicContact CG1-CG2 4.38Å; V17-T21 WeakPolarHBondContact O-CB 3.38Å; V17-T21 VanDerWaalsContact O-CG2 3.26Å; V17-T21 WeakPolarHBondContact O-CG2 3.12Å; V17-T21 PolarHBondContact O-N 2.79Å; V17-T21 PolarHBondContact O-OG1 3.16Å; I18-T21 WeakPolarHBondContact CA-OG1 3.26Å; I18-T21 PolarHBondContact O-OG1 3.49Å; T21-N25 WeakPolarHBondContact O-CB 3.44Å; T21-N25 PolarHBondContact O-N 3.25Å; T21-N25 PolarHBondContact O-ND2 2.79Å |
| 22 | K | 68.6 | Low | 68.6 | Low | 145 Ų | 145 | 79 Ų | 79 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 174 | -75.6 | -178.1 | 178.3 | -177.3 | 0 | 112.2 | I18 L19 L20 C26 | I18-K22 HydrophobicContact CG2-CD 4.29Å; I18-K22 WeakPolarHBondContact O-CB 3.34Å; I18-K22 WeakPolarHBondContact O-CG 3.38Å; I18-K22 PolarHBondContact O-N 2.98Å; L19-K22 PolarHBondContact O-N 3.24Å; L20-K22 PolarHBondContact O-N 3.33Å; K22-C26 WeakPolarHBondContact O-CB 3.26Å; K22-C26 PolarHBondContact O-N 3.17Å |
| 23 | F | 66.6 | Low | 69.4 | Low | 63 Ų | 63 | 75.6 Ų | 75.6 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 177.9 | -175 | -91 | 0 | 0 | 0 | 111.5 | L19 L20 N25 C26 Q27 L193 A197 | L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.16Å; L19-F23 PolarHBondContact O-N 2.95Å; L20-F23 WeakPolarHBondContact O-CB 3.44Å; L20-F23 PolarHBondContact O-N 2.77Å; F23-N25 PolarHBondContact O-N 3.21Å; F23-C26 PolarHBondContact O-N 2.8Å; F23-Q27 PolarHBondContact O-N 2.98Å; F23-L193 HydrophobicContact CD2-CD1 3.36Å; F23-L193 HydrophobicContact CE2-CB 3.98Å; F23-L193 HydrophobicContact CE2-CD1 3.63Å; F23-L193 HydrophobicContact CE2-CG 4.44Å; F23-L193 HydrophobicContact CG-CD1 4.36Å; F23-A197 HydrophobicContact CE2-CB 3.76Å |
| 24 | F | 65.4 | Low | 70.1 | Confident | 136 Ų | 136 | 75.4 Ų | 75.4 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 178.1 | -79.1 | -64.4 | 0 | 0 | 0 | 112.3 | L20 C26 Q27 F28 | L20-F24 HydrophobicContact CB-CD2 4.37Å; L20-F24 HydrophobicContact CB-CE2 4.32Å; L20-F24 HydrophobicContact CD2-CE2 4.41Å; L20-F24 WeakPolarHBondContact O-CD2 3.4Å; L20-F24 PolarHBondContact O-N 3.17Å; F24-C26 PolarHBondContact O-N 3.28Å; F24-Q27 PolarHBondContact O-N 3.16Å; F24-F28 VanDerWaalsContact O-CB 3.31Å; F24-F28 WeakPolarHBondContact O-CB 3.37Å; F24-F28 PolarHBondContact O-N 3.22Å |
| 25 | N | 69.4 | Low | 71.2 | Confident | 63 Ų | 63 | 77.7 Ų | 77.7 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.6 | -74.5 | -13.9 | 0 | 0 | 0 | 111.2 | T21 F23 F28 T29 | T21-N25 WeakPolarHBondContact O-CB 3.44Å; T21-N25 PolarHBondContact O-N 3.25Å; T21-N25 PolarHBondContact O-ND2 2.79Å; F23-N25 PolarHBondContact O-N 3.21Å; N25-F28 PolarHBondContact O-N 2.84Å; N25-T29 PolarHBondContact O-N 2.87Å; N25-T29 PolarHBondContact O-OG1 3.02Å |
| 26 | C | 71.4 | Confident | 72.2 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 178.4 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | K22 F23 F24 F28 T29 C30 L193 | K22-C26 WeakPolarHBondContact O-CB 3.26Å; K22-C26 PolarHBondContact O-N 3.17Å; F23-C26 PolarHBondContact O-N 2.8Å; F24-C26 PolarHBondContact O-N 3.28Å; C26-F28 PolarHBondContact O-N 3.42Å; C26-T29 PolarHBondContact O-N 3.17Å; C26-C30 PolarHBondContact O-N 2.85Å; C26-C30 PolarHBondContact O-SG 2.84Å; C26-L193 HydrophobicContact CB-CD1 4.47Å |
| 27 | Q | 73.4 | Confident | 73.1 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 23% | 0.234 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | -179.1 | -172.8 | 61.5 | 23.3 | 0 | 0 | 111.5 | F23 F24 T29 C30 D31 L193 | F23-Q27 PolarHBondContact O-N 2.98Å; F24-Q27 PolarHBondContact O-N 3.16Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 2.87Å; Q27-C30 WeakPolarHBondContact O-CB 3.48Å; Q27-C30 PolarHBondContact O-N 3.25Å; Q27-C30 VanDerWaalsContact O-N 3.16Å; Q27-D31 PolarHBondContact O-N 2.87Å; Q27-L193 PolarHBondContact OE1-O 3.43Å |
| 28 | F | 73 | Confident | 74.1 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.3 | -174.9 | -104.2 | 0 | 0 | 0 | 111.8 | F24 N25 C26 C30 H32 M269 | F24-F28 VanDerWaalsContact O-CB 3.31Å; F24-F28 WeakPolarHBondContact O-CB 3.37Å; F24-F28 PolarHBondContact O-N 3.22Å; N25-F28 PolarHBondContact O-N 2.84Å; C26-F28 PolarHBondContact O-N 3.42Å; F28-C30 VanDerWaalsContact C-N 3.34Å; F28-C30 PolarHBondContact O-N 2.76Å; F28-H32 AromaticContact CD1-CD2 3.97Å; F28-H32 AromaticContact CE1-CD2 3.48Å; F28-H32 VanDerWaalsContact CE1-CD2 3.48Å; F28-H32 WeakPolarHBondContact CE1-CD2 3.49Å; F28-H32 AromaticContact CE1-NE2 3.58Å; F28-H32 AromaticContact CE2-CD2 3.72Å; F28-H32 AromaticContact CE2-NE2 3.59Å; F28-H32 AromaticContact CZ-CD2 3.35Å; F28-H32 WeakPolarHBondContact CZ-CD2 3.39Å; F28-H32 AromaticContact CZ-NE2 3.06Å; F28-H32 WeakPolarHBondContact CZ-NE2 3.42Å; F28-H32 PolarHBondContact O-CD2 2.89Å; F28-H32 PolarHBondContact O-N 2.8Å; F28-M269 HydrophobicContact CD1-CE 3.63Å; F28-M269 HydrophobicContact CD1-SD 3.49Å; F28-M269 WeakPolarHBondContact CD1-SD 3.26Å; F28-M269 HydrophobicContact CE1-CE 3.72Å; F28-M269 HydrophobicContact CE1-SD 4.08Å |
| 29 | T | 74.5 | Confident | 75.3 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.7 | -43 | 0 | 0 | 0 | 0 | 112 | N25 C26 Q27 H32 I33 Y190 S265 M269 | N25-T29 PolarHBondContact O-N 2.87Å; N25-T29 PolarHBondContact O-OG1 3.02Å; C26-T29 PolarHBondContact O-N 3.17Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 2.87Å; T29-H32 WeakPolarHBondContact O-CB 3.44Å; T29-H32 PolarHBondContact O-N 3.49Å; T29-I33 HydrophobicContact CG2-CD1 3.54Å; T29-I33 HydrophobicContact CG2-CG1 4.18Å; T29-I33 WeakPolarHBondContact O-CB 3.44Å; T29-I33 VanDerWaalsContact O-CG1 3.29Å; T29-I33 WeakPolarHBondContact O-CG1 3.35Å; T29-I33 PolarHBondContact O-N 2.9Å; T29-Y190 HydrophobicContact CG2-CE1 3.82Å; T29-Y190 HydrophobicContact CG2-CE2 4.29Å; T29-Y190 VanDerWaalsContact CG2-CZ 3.48Å; T29-Y190 WeakPolarHBondContact CG2-OH 3.26Å; T29-S265 WeakPolarHBondContact CG2-OG 2.93Å; T29-M269 WeakPolarHBondContact CA-SD 3.13Å; T29-M269 VanDerWaalsContact CB-SD 3.57Å; T29-M269 HydrophobicContact CG2-CE 4.09Å; T29-M269 HydrophobicContact CG2-SD 3.86Å; T29-M269 PolarHBondContact OG1-SD 2.82Å |
| 30 | C | 81.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | -179.1 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | C26 Q27 F28 H32 I33 K34 C192 | C26-C30 PolarHBondContact O-N 2.85Å; C26-C30 PolarHBondContact O-SG 2.84Å; Q27-C30 WeakPolarHBondContact O-CB 3.48Å; Q27-C30 PolarHBondContact O-N 3.25Å; Q27-C30 VanDerWaalsContact O-N 3.16Å; F28-C30 VanDerWaalsContact C-N 3.34Å; F28-C30 PolarHBondContact O-N 2.76Å; C30-H32 PolarHBondContact O-N 3.16Å; C30-I33 PolarHBondContact O-N 2.83Å; C30-K34 WeakPolarHBondContact O-CB 3.43Å; C30-K34 PolarHBondContact O-N 2.8Å; C30-C192 HydrophobicContact CB-CB 3.82Å; C30-C192 WeakPolarHBondContact CB-SG 3.37Å; C30-C192 WeakPolarHBondContact SG-CA 3.5Å; C30-C192 WeakPolarHBondContact SG-CB 3.14Å; C30-C192 CovalentContact SG-SG 2.01Å; C30-C192 PolarHBondContact SG-SG 2.9Å |
| 31 | D | 79.1 | Confident | 77.8 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -32.6 | 176.7 | -67.4 | -23.8 | 0 | 0 | 0 | 111.7 | Q27 | Q27-D31 PolarHBondContact O-N 2.87Å |
| 32 | H | 76.8 | Confident | 79.2 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 36% | 0.361 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.4 | -33.3 | 176.1 | -97.9 | -79.8 | 0 | 0 | 0 | 114.2 | F28 T29 C30 V36 M269 | F28-H32 AromaticContact CD1-CD2 3.97Å; F28-H32 AromaticContact CE1-CD2 3.48Å; F28-H32 VanDerWaalsContact CE1-CD2 3.48Å; F28-H32 WeakPolarHBondContact CE1-CD2 3.49Å; F28-H32 AromaticContact CE1-NE2 3.58Å; F28-H32 AromaticContact CE2-CD2 3.72Å; F28-H32 AromaticContact CE2-NE2 3.59Å; F28-H32 AromaticContact CZ-CD2 3.35Å; F28-H32 WeakPolarHBondContact CZ-CD2 3.39Å; F28-H32 AromaticContact CZ-NE2 3.06Å; F28-H32 WeakPolarHBondContact CZ-NE2 3.42Å; F28-H32 PolarHBondContact O-CD2 2.89Å; F28-H32 PolarHBondContact O-N 2.8Å; T29-H32 WeakPolarHBondContact O-CB 3.44Å; T29-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-N 3.16Å; H32-V36 WeakPolarHBondContact O-CG2 3.38Å; H32-M269 HydrophobicContact CB-CE 4.04Å |
| 33 | I | 79.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -89.4 | -37.9 | -174.2 | -72.7 | -180 | 0 | 0 | 0 | 111.9 | T29 C30 N35 V36 Y190 Y204 | T29-I33 HydrophobicContact CG2-CD1 3.54Å; T29-I33 HydrophobicContact CG2-CG1 4.18Å; T29-I33 WeakPolarHBondContact O-CB 3.44Å; T29-I33 VanDerWaalsContact O-CG1 3.29Å; T29-I33 WeakPolarHBondContact O-CG1 3.35Å; T29-I33 PolarHBondContact O-N 2.9Å; C30-I33 PolarHBondContact O-N 2.83Å; I33-N35 PolarHBondContact O-N 3.36Å; I33-V36 WeakPolarHBondContact O-CB 3.26Å; I33-V36 WeakPolarHBondContact O-CG2 3.16Å; I33-V36 PolarHBondContact O-N 3.02Å; I33-Y190 HydrophobicContact CD1-CD1 3.97Å; I33-Y190 HydrophobicContact CD1-CD2 3.24Å; I33-Y190 HydrophobicContact CD1-CE1 3.95Å; I33-Y190 HydrophobicContact CD1-CE2 3.21Å; I33-Y190 HydrophobicContact CD1-CG 3.62Å; I33-Y190 HydrophobicContact CG2-CD2 4.41Å; I33-Y190 HydrophobicContact CG2-CG 4.21Å; I33-Y204 HydrophobicContact CG2-CD2 3.55Å; I33-Y204 HydrophobicContact CG2-CG 3.99Å |
| 34 | K | 75.8 | Confident | 82.1 | Confident | 105 Ų | 105 | 73 Ų | 73 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.2 | -172.1 | -177.4 | 169.9 | -174.6 | 153.6 | 0 | 114.2 | C30 E202 | C30-K34 WeakPolarHBondContact O-CB 3.43Å; C30-K34 PolarHBondContact O-N 2.8Å; K34-E202 WeakPolarHBondContact CE-OE2 3.29Å; K34-E202 IonicContact NZ-OE1 2.67Å; K34-E202 PolarHBondContact NZ-OE1 2.92Å; K34-E202 IonicContact NZ-OE2 2.65Å; K34-E202 PolarHBondContact NZ-OE2 3.11Å |
| 35 | N | 72 | Confident | 83.5 | Confident | 135 Ų | 135 | 70.6 Ų | 70.6 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 5.1 | -178.1 | -61.4 | -44.1 | 0 | 0 | 0 | 113.6 | I33 K37 | I33-N35 PolarHBondContact O-N 3.36Å; N35-K37 PolarHBondContact O-N 3.16Å; N35-K37 VanDerWaalsContact O-N 3.11Å |
| 36 | V | 82.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | trans | -73.6 | 109.9 | 178 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | H32 I33 Y54 Y204 N205 R261 | H32-V36 WeakPolarHBondContact O-CG2 3.38Å; I33-V36 WeakPolarHBondContact O-CB 3.26Å; I33-V36 WeakPolarHBondContact O-CG2 3.16Å; I33-V36 PolarHBondContact O-N 3.02Å; V36-Y54 HydrophobicContact CG1-CD2 4.45Å; V36-Y54 HydrophobicContact CG1-CE2 4.26Å; V36-Y204 HydrophobicContact CB-CD2 3.87Å; V36-Y204 HydrophobicContact CB-CE2 3.6Å; V36-Y204 HydrophobicContact CG1-CD2 4.21Å; V36-Y204 HydrophobicContact CG1-CE2 3.51Å; V36-Y204 HydrophobicContact CG2-CD2 4.33Å; V36-Y204 HydrophobicContact CG2-CE2 3.95Å; V36-N205 HydrophobicContact CG1-CB 4.36Å; V36-N205 WeakPolarHBondContact O-CA 3.43Å; V36-N205 PolarHBondContact O-N 2.81Å; V36-R261 HydrophobicContact CG2-CB 4.14Å | ||
| 37 | K | 85.2 | Confident | 85.9 | Confident | 171 Ų | 171 | 75.7 Ų | 75.7 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | trans | -132.3 | 113.8 | 168.5 | -176.9 | 178.2 | -178.4 | 179.4 | 0 | 107.3 | N35 | N35-K37 PolarHBondContact O-N 3.16Å; N35-K37 VanDerWaalsContact O-N 3.11Å | ||
| 38 | Y | 88.5 | Confident | 87.1 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | trans | -129.2 | 128.8 | 175.1 | 176.6 | -91.7 | 0 | 0 | 0 | 110.1 | K40 D52 Y54 N205 D245 | Y38-K40 HydrophobicContact CE1-CB 4.16Å; Y38-D52 HydrophobicContact CE1-CB 4.39Å; Y38-Y54 VanDerWaalsContact CB-CZ 3.46Å; Y38-Y54 AromaticContact CD1-CD1 3.42Å; Y38-Y54 HydrophobicContact CD1-CD1 3.42Å; Y38-Y54 VanDerWaalsContact CD1-CD1 3.42Å; Y38-Y54 AromaticContact CD1-CD2 3.91Å; Y38-Y54 HydrophobicContact CD1-CD2 3.91Å; Y38-Y54 AromaticContact CD1-CE1 3.52Å; Y38-Y54 HydrophobicContact CD1-CE1 3.52Å; Y38-Y54 HydrophobicContact CD1-CE2 4.03Å; Y38-Y54 AromaticContact CD1-CG 3.61Å; Y38-Y54 HydrophobicContact CD1-CG 3.61Å; Y38-Y54 AromaticContact CD1-CZ 3.82Å; Y38-Y54 HydrophobicContact CD2-CD1 4.24Å; Y38-Y54 AromaticContact CD2-CE1 3.44Å; Y38-Y54 HydrophobicContact CD2-CE1 3.44Å; Y38-Y54 VanDerWaalsContact CD2-CE1 3.44Å; Y38-Y54 AromaticContact CD2-CE2 3.83Å; Y38-Y54 HydrophobicContact CD2-CE2 3.83Å; Y38-Y54 AromaticContact CD2-CZ 3.18Å; Y38-Y54 WeakPolarHBondContact CD2-OH 3.37Å; Y38-Y54 AromaticContact CE1-CD1 3.62Å; Y38-Y54 HydrophobicContact CE1-CD1 3.62Å; Y38-Y54 AromaticContact CE1-CE1 3.66Å; Y38-Y54 HydrophobicContact CE1-CE1 3.66Å; Y38-Y54 HydrophobicContact CE1-CG 4.25Å; Y38-Y54 HydrophobicContact CE2-CD1 4.37Å; Y38-Y54 AromaticContact CE2-CE1 3.56Å; Y38-Y54 HydrophobicContact CE2-CE1 3.56Å; Y38-Y54 AromaticContact CE2-CZ 3.76Å; Y38-Y54 AromaticContact CG-CD1 3.75Å; Y38-Y54 HydrophobicContact CG-CD1 3.75Å; Y38-Y54 AromaticContact CG-CD2 3.71Å; Y38-Y54 HydrophobicContact CG-CD2 3.71Å; Y38-Y54 AromaticContact CG-CE1 3.4Å; Y38-Y54 HydrophobicContact CG-CE1 3.4Å; Y38-Y54 AromaticContact CG-CE2 3.38Å; Y38-Y54 HydrophobicContact CG-CE2 3.38Å; Y38-Y54 AromaticContact CG-CG 3.88Å; Y38-Y54 HydrophobicContact CG-CG 3.88Å; Y38-Y54 AromaticContact CG-CZ 3.19Å; Y38-Y54 AromaticContact CZ-CE1 3.66Å; Y38-N205 PolarHBondContact N-OD1 3.49Å; Y38-N205 VanDerWaalsContact N-OD1 3.07Å; Y38-N205 PolarHBondContact O-OD1 2.89Å; Y38-D245 WeakPolarHBondContact CE2-OD2 3.38Å; Y38-D245 VanDerWaalsContact CZ-OD2 3.27Å; Y38-D245 PolarHBondContact OH-OD2 2.88Å | ||
| 39 | E | 93 | Very high | 88.3 | Confident | 87 Ų | 87 | 72 Ų | 72 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | trans | -145.7 | 127.9 | 173.5 | 173.1 | 174.3 | -124.1 | 0 | 0 | 107.5 | I41 R49 D52 H53 | E39-I41 HydrophobicContact CG-CG1 4.41Å; E39-R49 IonicContact OE1-CZ 3.62Å; E39-R49 IonicContact OE1-NH2 3.27Å; E39-R49 PolarHBondContact OE1-NH2 3.12Å; E39-R49 IonicContact OE2-NH2 2.62Å; E39-R49 PolarHBondContact OE2-NH2 3.36Å; E39-D52 WeakPolarHBondContact CA-O 3.4Å; E39-H53 IonicContact OE1-CE1 2.7Å; E39-H53 PolarHBondContact OE1-CE1 3Å; E39-H53 IonicContact OE1-NE2 3.47Å | ||
| 40 | K | 93.8 | Very high | 89.4 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 109.4 | 169.2 | -178.2 | -179.5 | -179.6 | 179.6 | 0 | 108.7 | Y38 I42 S51 D52 | Y38-K40 HydrophobicContact CE1-CB 4.16Å; K40-I42 PolarHBondContact O-N 2.77Å; K40-S51 CarbonylContact O-C 3.58Å; K40-S51 VanDerWaalsContact O-CA 3.25Å; K40-S51 WeakPolarHBondContact O-CA 3.3Å; K40-D52 HydrophobicContact CB-CB 4.36Å; K40-D52 PolarHBondContact N-O 2.91Å; K40-D52 PolarHBondContact O-N 2.83Å |
| 41 | I | 96.6 | Very high | 90.2 | Very high | 77 Ų | 77 | 74.7 Ų | 74.7 | 40% | 0.395 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.7 | 172.7 | -57 | 174.4 | 0 | 0 | 0 | 107.9 | E39 E44 | E39-I41 HydrophobicContact CG-CG1 4.41Å; I41-E44 HydrophobicContact CG2-CB 3.85Å |
| 42 | I | 96.6 | Very high | 90.9 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -41.4 | 179.9 | -64.5 | 169.6 | 0 | 0 | 0 | 110 | K40 Y50 D52 F57 | K40-I42 PolarHBondContact O-N 2.77Å; I42-Y50 HydrophobicContact CB-CD1 3.7Å; I42-Y50 HydrophobicContact CB-CE1 4.25Å; I42-Y50 HydrophobicContact CD1-CD1 3.76Å; I42-Y50 HydrophobicContact CD1-CE1 3.45Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.45Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG1-CE1 4.44Å; I42-Y50 HydrophobicContact CG2-CD1 3.73Å; I42-Y50 HydrophobicContact CG2-CE1 4.12Å; I42-Y50 PolarHBondContact N-O 2.76Å; I42-D52 HydrophobicContact CD1-CB 4.11Å; I42-F57 HydrophobicContact CD1-CD1 4.38Å; I42-F57 HydrophobicContact CD1-CE1 4.28Å |
| 43 | S | 97.5 | Very high | 91.7 | Very high | 55 Ų | 55 | 67.4 Ų | 67.4 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 137.2 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | R49 Y50 | S43-R49 CarbonylContact O-C 3.56Å; S43-R49 WeakPolarHBondContact O-CA 3.24Å; S43-Y50 PolarHBondContact N-O 2.76Å; S43-Y50 PolarHBondContact O-N 2.98Å |
| 44 | E | 97.5 | Very high | 92.2 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 139.5 | 178 | -175.3 | 170.4 | 69.7 | 0 | 0 | 110.9 | I41 Y48 R49 F213 | I41-E44 HydrophobicContact CG2-CB 3.85Å; E44-Y48 CarbonylContact C-O 3.5Å; E44-Y48 WeakPolarHBondContact CA-O 3.24Å; E44-R49 HydrophobicContact CB-CG 4.45Å; E44-R49 HydrophobicContact CG-CB 4.34Å; E44-R49 HydrophobicContact CG-CG 4.28Å; E44-R49 VanDerWaalsContact OE2-CD 3.23Å; E44-R49 WeakPolarHBondContact OE2-CD 3.37Å; E44-R49 WeakPolarHBondContact OE2-CG 3.01Å; E44-R49 IonicContact OE2-CZ 2.76Å; E44-R49 IonicContact OE2-NE 2.99Å; E44-R49 IonicContact OE2-NH1 2.87Å; E44-R49 PolarHBondContact OE2-NH1 2.97Å; E44-F213 HydrophobicContact CG-CZ 4.39Å |
| 45 | N | 96.2 | Very high | 93 | Very high | 84 Ų | 84 | 63.5 Ų | 63.5 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -144.9 | -171.5 | 166.4 | 69.6 | 43.3 | 0 | 0 | 0 | 109.5 | S47 Y48 | N45-S47 VanDerWaalsContact C-N 3.25Å; N45-S47 PolarHBondContact O-N 2.71Å; N45-S47 PolarHBondContact OD1-N 3.3Å; N45-S47 PolarHBondContact OD1-OG 2.64Å; N45-Y48 PolarHBondContact N-O 3.39Å; N45-Y48 VanDerWaalsContact O-O 3.1Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.23Å; N45-Y48 PolarHBondContact OD1-N 2.9Å | ||
| 46 | V | 94.9 | Very high | 94.1 | Very high | 139 Ų | 139 | 57.1 Ų | 57.1 | 84% | 0.842 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -62 | -28.5 | -175.1 | -176.8 | 0 | 0 | 0 | 0 | 113.6 | L62 | V46-L62 WeakPolarHBondContact O-CD1 3.24Š|
| 47 | S | 96.1 | Very high | 94.8 | Very high | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -119 | 0.4 | -175.4 | 63 | 0 | 0 | 0 | 0 | 114.7 | N45 R61 L62 | N45-S47 VanDerWaalsContact C-N 3.25Å; N45-S47 PolarHBondContact O-N 2.71Å; N45-S47 PolarHBondContact OD1-N 3.3Å; N45-S47 PolarHBondContact OD1-OG 2.64Å; S47-R61 WeakPolarHBondContact O-CA 3.18Å; S47-L62 PolarHBondContact O-N 2.92Å |
| 48 | Y | 97.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140.5 | -174.3 | 176.3 | -101.9 | 0 | 0 | 0 | 112.2 | E44 N45 Y50 T59 I60 R61 | E44-Y48 CarbonylContact C-O 3.5Å; E44-Y48 WeakPolarHBondContact CA-O 3.24Å; N45-Y48 PolarHBondContact N-O 3.39Å; N45-Y48 VanDerWaalsContact O-O 3.1Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.23Å; N45-Y48 PolarHBondContact OD1-N 2.9Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.29Å; Y48-T59 HydrophobicContact CD2-CG2 4.48Å; Y48-T59 HydrophobicContact CE2-CG2 3.64Å; Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.36Å; Y48-I60 WeakPolarHBondContact CD2-O 3.3Å; Y48-R61 HydrophobicContact CD2-CG 3.91Å; Y48-R61 HydrophobicContact CE2-CG 4.3Å |
| 49 | R | 98.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.6 | 168.8 | -175.2 | -175.4 | 177.5 | 126.6 | -11.3 | 110.3 | E39 S43 E44 T59 I60 P210 F213 | E39-R49 IonicContact OE1-CZ 3.62Å; E39-R49 IonicContact OE1-NH2 3.27Å; E39-R49 PolarHBondContact OE1-NH2 3.12Å; E39-R49 IonicContact OE2-NH2 2.62Å; E39-R49 PolarHBondContact OE2-NH2 3.36Å; S43-R49 CarbonylContact O-C 3.56Å; S43-R49 WeakPolarHBondContact O-CA 3.24Å; E44-R49 HydrophobicContact CB-CG 4.45Å; E44-R49 HydrophobicContact CG-CB 4.34Å; E44-R49 HydrophobicContact CG-CG 4.28Å; E44-R49 VanDerWaalsContact OE2-CD 3.23Å; E44-R49 WeakPolarHBondContact OE2-CD 3.37Å; E44-R49 WeakPolarHBondContact OE2-CG 3.01Å; E44-R49 IonicContact OE2-CZ 2.76Å; E44-R49 IonicContact OE2-NE 2.99Å; E44-R49 IonicContact OE2-NH1 2.87Å; E44-R49 PolarHBondContact OE2-NH1 2.97Å; R49-T59 CarbonylContact O-C 3.56Å; R49-T59 WeakPolarHBondContact O-CA 3.36Å; R49-I60 HydrophobicContact CB-CB 4.25Å; R49-I60 HydrophobicContact CB-CD1 4.44Å; R49-I60 PolarHBondContact N-O 3.49Å; R49-I60 PolarHBondContact O-N 2.89Å; R49-P210 VanDerWaalsContact CZ-CG 3.48Å; R49-F213 HydrophobicContact CB-CE1 4.27Å; R49-F213 HydrophobicContact CB-CE2 4.01Å; R49-F213 HydrophobicContact CB-CZ 3.75Å |
| 50 | Y | 98.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.9 | 170.6 | -175.6 | -124.6 | 0 | 0 | 0 | 110.2 | I42 S43 Y48 F57 Q58 T59 | I42-Y50 HydrophobicContact CB-CD1 3.7Å; I42-Y50 HydrophobicContact CB-CE1 4.25Å; I42-Y50 HydrophobicContact CD1-CD1 3.76Å; I42-Y50 HydrophobicContact CD1-CE1 3.45Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.45Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG1-CE1 4.44Å; I42-Y50 HydrophobicContact CG2-CD1 3.73Å; I42-Y50 HydrophobicContact CG2-CE1 4.12Å; I42-Y50 PolarHBondContact N-O 2.76Å; S43-Y50 PolarHBondContact N-O 2.76Å; S43-Y50 PolarHBondContact O-N 2.98Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.29Å; Y50-F57 HydrophobicContact CE2-CB 3.8Å; Y50-F57 HydrophobicContact CE2-CD1 4.37Å; Y50-F57 HydrophobicContact CE2-CG 4.27Å; Y50-F57 AromaticContact CZ-CD1 3.95Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.47Å; Y50-F57 WeakPolarHBondContact OH-CG 3.38Å; Y50-Q58 WeakPolarHBondContact CA-O 3.37Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.27Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.38Å |
| 51 | S | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.9 | -173.2 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | K40 H53 F57 Q58 | K40-S51 CarbonylContact O-C 3.58Å; K40-S51 VanDerWaalsContact O-CA 3.25Å; K40-S51 WeakPolarHBondContact O-CA 3.3Å; S51-H53 WeakPolarHBondContact CB-NE2 3.47Å; S51-H53 PolarHBondContact OG-NE2 2.85Å; S51-F57 CarbonylContact O-C 3.55Å; S51-F57 WeakPolarHBondContact O-CA 2.98Å; S51-Q58 PolarHBondContact N-O 3.36Å; S51-Q58 PolarHBondContact O-N 2.73Å |
| 52 | D | 94.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.6 | 172.4 | -172.7 | -12.1 | 0 | 0 | 0 | 109.3 | Y38 E39 K40 I42 Y54 F57 N225 K243 | Y38-D52 HydrophobicContact CE1-CB 4.39Å; E39-D52 WeakPolarHBondContact CA-O 3.4Å; K40-D52 HydrophobicContact CB-CB 4.36Å; K40-D52 PolarHBondContact N-O 2.91Å; K40-D52 PolarHBondContact O-N 2.83Å; I42-D52 HydrophobicContact CD1-CB 4.11Å; D52-Y54 PolarHBondContact OD1-N 2.86Å; D52-F57 HydrophobicContact CB-CD1 3.85Å; D52-F57 HydrophobicContact CB-CE1 3.67Å; D52-F57 VanDerWaalsContact CG-CE1 3.5Å; D52-N225 PolarHBondContact OD1-ND2 2.79Å; D52-K243 IonicContact OD2-NZ 3.46Å; D52-K243 PolarHBondContact OD2-NZ 2.85Å |
| 53 | H | 93.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 41.3 | 178.6 | -61.4 | -98 | 0 | 0 | 0 | 110.8 | E39 S51 E55 Y56 N205 I207 | E39-H53 IonicContact OE1-CE1 2.7Å; E39-H53 PolarHBondContact OE1-CE1 3Å; E39-H53 IonicContact OE1-NE2 3.47Å; S51-H53 WeakPolarHBondContact CB-NE2 3.47Å; S51-H53 PolarHBondContact OG-NE2 2.85Å; H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 2.88Å; H53-Y56 WeakPolarHBondContact CA-O 3.33Å; H53-Y56 WeakPolarHBondContact CB-O 3.33Å; H53-Y56 PolarHBondContact N-O 2.81Å; H53-N205 PolarHBondContact O-ND2 3.35Å; H53-I207 HydrophobicContact CB-CD1 3.45Å; H53-I207 VanDerWaalsContact CB-CD1 3.45Å; H53-I207 HydrophobicContact CB-CG1 3.66Å; H53-I207 HydrophobicContact CB-CG2 4.41Å |
| 54 | Y | 89.4 | Confident | 96.2 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -76.9 | -173.5 | -66.7 | -37.5 | 0 | 0 | 0 | 114 | V36 Y38 D52 N225 S228 M246 | V36-Y54 HydrophobicContact CG1-CD2 4.45Å; V36-Y54 HydrophobicContact CG1-CE2 4.26Å; Y38-Y54 VanDerWaalsContact CB-CZ 3.46Å; Y38-Y54 AromaticContact CD1-CD1 3.42Å; Y38-Y54 HydrophobicContact CD1-CD1 3.42Å; Y38-Y54 VanDerWaalsContact CD1-CD1 3.42Å; Y38-Y54 AromaticContact CD1-CD2 3.91Å; Y38-Y54 HydrophobicContact CD1-CD2 3.91Å; Y38-Y54 AromaticContact CD1-CE1 3.52Å; Y38-Y54 HydrophobicContact CD1-CE1 3.52Å; Y38-Y54 HydrophobicContact CD1-CE2 4.03Å; Y38-Y54 AromaticContact CD1-CG 3.61Å; Y38-Y54 HydrophobicContact CD1-CG 3.61Å; Y38-Y54 AromaticContact CD1-CZ 3.82Å; Y38-Y54 HydrophobicContact CD2-CD1 4.24Å; Y38-Y54 AromaticContact CD2-CE1 3.44Å; Y38-Y54 HydrophobicContact CD2-CE1 3.44Å; Y38-Y54 VanDerWaalsContact CD2-CE1 3.44Å; Y38-Y54 AromaticContact CD2-CE2 3.83Å; Y38-Y54 HydrophobicContact CD2-CE2 3.83Å; Y38-Y54 AromaticContact CD2-CZ 3.18Å; Y38-Y54 WeakPolarHBondContact CD2-OH 3.37Å; Y38-Y54 AromaticContact CE1-CD1 3.62Å; Y38-Y54 HydrophobicContact CE1-CD1 3.62Å; Y38-Y54 AromaticContact CE1-CE1 3.66Å; Y38-Y54 HydrophobicContact CE1-CE1 3.66Å; Y38-Y54 HydrophobicContact CE1-CG 4.25Å; Y38-Y54 HydrophobicContact CE2-CD1 4.37Å; Y38-Y54 AromaticContact CE2-CE1 3.56Å; Y38-Y54 HydrophobicContact CE2-CE1 3.56Å; Y38-Y54 AromaticContact CE2-CZ 3.76Å; Y38-Y54 AromaticContact CG-CD1 3.75Å; Y38-Y54 HydrophobicContact CG-CD1 3.75Å; Y38-Y54 AromaticContact CG-CD2 3.71Å; Y38-Y54 HydrophobicContact CG-CD2 3.71Å; Y38-Y54 AromaticContact CG-CE1 3.4Å; Y38-Y54 HydrophobicContact CG-CE1 3.4Å; Y38-Y54 AromaticContact CG-CE2 3.38Å; Y38-Y54 HydrophobicContact CG-CE2 3.38Å; Y38-Y54 AromaticContact CG-CG 3.88Å; Y38-Y54 HydrophobicContact CG-CG 3.88Å; Y38-Y54 AromaticContact CG-CZ 3.19Å; Y38-Y54 AromaticContact CZ-CE1 3.66Å; D52-Y54 PolarHBondContact OD1-N 2.86Å; Y54-N225 WeakPolarHBondContact O-CB 3.37Å; Y54-N225 PolarHBondContact O-ND2 3.36Å; Y54-S228 PolarHBondContact O-OG 3.47Å; Y54-M246 HydrophobicContact CD1-SD 3.65Å; Y54-M246 HydrophobicContact CE1-CB 4.14Å; Y54-M246 HydrophobicContact CE1-CG 4.33Å; Y54-M246 HydrophobicContact CE1-SD 3.77Å; Y54-M246 HydrophobicContact CG-SD 4.36Å |
| 55 | E | 92.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -22.9 | -173.9 | -65.8 | 74.4 | -157.4 | 0 | 0 | 113.4 | H53 Y92 Y204 N205 P224 N225 F230 | H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 2.88Å; E55-Y92 HydrophobicContact CB-CD1 3.58Å; E55-Y92 HydrophobicContact CB-CE1 3.85Å; E55-Y92 HydrophobicContact CB-CG 4.29Å; E55-Y92 HydrophobicContact CG-CD1 3.57Å; E55-Y92 HydrophobicContact CG-CE1 4.09Å; E55-Y92 HydrophobicContact CG-CG 4.45Å; E55-Y204 VanDerWaalsContact CD-CE1 3.4Å; E55-Y204 HydrophobicContact CG-CE1 4.32Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.45Å; E55-Y204 VanDerWaalsContact OE1-CZ 3.28Å; E55-Y204 PolarHBondContact OE1-OH 2.93Å; E55-Y204 WeakPolarHBondContact OE2-CE1 3.18Å; E55-N205 PolarHBondContact OE2-ND2 3.32Å; E55-P224 WeakPolarHBondContact O-CA 3.48Å; E55-N225 PolarHBondContact O-N 2.86Å; E55-F230 HydrophobicContact CB-CE1 4Å; E55-F230 HydrophobicContact CB-CZ 3.93Å; E55-F230 HydrophobicContact CG-CD1 4.17Å; E55-F230 HydrophobicContact CG-CE1 3.47Å; E55-F230 VanDerWaalsContact CG-CE1 3.47Å; E55-F230 HydrophobicContact CG-CZ 3.71Å |
| 56 | Y | 96.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.7 | 179.8 | -73 | -93.9 | 0 | 0 | 0 | 111.2 | H53 Y92 M166 I186 I207 F222 E223 P224 | H53-Y56 WeakPolarHBondContact CA-O 3.33Å; H53-Y56 WeakPolarHBondContact CB-O 3.33Å; H53-Y56 PolarHBondContact N-O 2.81Å; Y56-Y92 HydrophobicContact CD2-CD2 4.22Å; Y56-Y92 HydrophobicContact CD2-CE1 4.32Å; Y56-Y92 AromaticContact CD2-CE2 3.95Å; Y56-Y92 HydrophobicContact CD2-CE2 3.95Å; Y56-Y92 HydrophobicContact CE2-CD1 4.33Å; Y56-Y92 AromaticContact CE2-CD2 3.44Å; Y56-Y92 HydrophobicContact CE2-CD2 3.44Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.44Å; Y56-Y92 HydrophobicContact CE2-CE1 4.41Å; Y56-Y92 AromaticContact CE2-CE2 3.54Å; Y56-Y92 HydrophobicContact CE2-CE2 3.54Å; Y56-Y92 AromaticContact CE2-CG 3.85Å; Y56-Y92 HydrophobicContact CE2-CG 3.85Å; Y56-Y92 PolarHBondContact OH-N 2.73Å; Y56-M166 HydrophobicContact CD1-CE 4.2Å; Y56-M166 HydrophobicContact CE1-CE 3.52Å; Y56-I186 HydrophobicContact CD2-CD1 4.38Å; Y56-I186 HydrophobicContact CG-CD1 4.43Å; Y56-I207 HydrophobicContact CD2-CD1 4.34Å; Y56-I207 HydrophobicContact CG-CD1 4.4Å; Y56-F222 HydrophobicContact CD1-CB 3.82Å; Y56-F222 HydrophobicContact CE1-CB 4.43Å; Y56-F222 HydrophobicContact CG-CB 4.42Å; Y56-E223 CarbonylContact C-O 3.54Å; Y56-E223 VanDerWaalsContact CA-O 3.26Å; Y56-E223 WeakPolarHBondContact CA-O 3.42Å; Y56-E223 VanDerWaalsContact CD1-C 3.47Å; Y56-P224 HydrophobicContact CD1-CG 4.27Å; Y56-P224 HydrophobicContact CE1-CB 4.26Å; Y56-P224 HydrophobicContact CE1-CG 3.65Å |
| 57 | F | 97.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 139.7 | 155.3 | -63.9 | -70.3 | 0 | 0 | 0 | 109.1 | I42 Y50 S51 D52 F222 E223 N225 | I42-F57 HydrophobicContact CD1-CD1 4.38Å; I42-F57 HydrophobicContact CD1-CE1 4.28Å; Y50-F57 HydrophobicContact CE2-CB 3.8Å; Y50-F57 HydrophobicContact CE2-CD1 4.37Å; Y50-F57 HydrophobicContact CE2-CG 4.27Å; Y50-F57 AromaticContact CZ-CD1 3.95Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.47Å; Y50-F57 WeakPolarHBondContact OH-CG 3.38Å; S51-F57 CarbonylContact O-C 3.55Å; S51-F57 WeakPolarHBondContact O-CA 2.98Å; D52-F57 HydrophobicContact CB-CD1 3.85Å; D52-F57 HydrophobicContact CB-CE1 3.67Å; D52-F57 VanDerWaalsContact CG-CE1 3.5Å; F57-F222 CarbonylContact O-C 3.52Å; F57-F222 WeakPolarHBondContact O-CA 3.25Å; F57-E223 PolarHBondContact N-O 2.84Å; F57-E223 PolarHBondContact O-N 2.71Å; F57-N225 HydrophobicContact CD2-CB 4.14Å; F57-N225 HydrophobicContact CE2-CB 3.88Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.42Å; F57-N225 HydrophobicContact CZ-CB 4.39Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.48Å |
| 58 | Q | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.9 | 173 | -175.9 | -170.1 | 62.9 | 0 | 0 | 109.4 | Y50 S51 I60 I207 H208 V220 E221 F222 | Y50-Q58 WeakPolarHBondContact CA-O 3.37Å; S51-Q58 PolarHBondContact N-O 3.36Å; S51-Q58 PolarHBondContact O-N 2.73Å; Q58-I60 HydrophobicContact CG-CD1 4.39Å; Q58-I60 HydrophobicContact CG-CG1 4.05Å; Q58-I207 HydrophobicContact CB-CG2 4.49Å; Q58-H208 PolarHBondContact NE2-O 3.41Å; Q58-V220 HydrophobicContact CG-CG1 4.22Å; Q58-E221 CarbonylContact C-O 3.58Å; Q58-E221 VanDerWaalsContact CA-O 3.31Å; Q58-E221 WeakPolarHBondContact CA-O 3.33Å; Q58-F222 HydrophobicContact CB-CD1 4.2Å; Q58-F222 HydrophobicContact CB-CE1 4.29Å; Q58-F222 HydrophobicContact CG-CD1 4.1Å; Q58-F222 HydrophobicContact CG-CE1 3.83Å; Q58-F222 VanDerWaalsContact NE2-CE1 3.28Å |
| 59 | T | 98.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.2 | 169.7 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | Y48 R49 Y50 R61 V220 E221 | Y48-T59 HydrophobicContact CD2-CG2 4.48Å; Y48-T59 HydrophobicContact CE2-CG2 3.64Å; R49-T59 CarbonylContact O-C 3.56Å; R49-T59 WeakPolarHBondContact O-CA 3.36Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.27Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.38Å; T59-R61 HydrophobicContact CG2-CG 4.39Å; T59-V220 CarbonylContact O-C 3.52Å; T59-V220 WeakPolarHBondContact O-CA 3.45Å; T59-E221 PolarHBondContact N-O 2.56Å; T59-E221 PolarHBondContact O-N 2.7Å |
| 60 | I | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.3 | 176 | -51.1 | 177.1 | 0 | 0 | 0 | 108.8 | Y48 R49 Q58 V209 P210 F213 T218 F219 V220 | Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.36Å; Y48-I60 WeakPolarHBondContact CD2-O 3.3Å; R49-I60 HydrophobicContact CB-CB 4.25Å; R49-I60 HydrophobicContact CB-CD1 4.44Å; R49-I60 PolarHBondContact N-O 3.49Å; R49-I60 PolarHBondContact O-N 2.89Å; Q58-I60 HydrophobicContact CG-CD1 4.39Å; Q58-I60 HydrophobicContact CG-CG1 4.05Å; I60-V209 HydrophobicContact CD1-CG1 4.07Å; I60-P210 VanDerWaalsContact CD1-CD 3.47Å; I60-P210 HydrophobicContact CD1-CG 4.35Å; I60-F213 HydrophobicContact CB-CD1 4.24Å; I60-F213 HydrophobicContact CD1-CB 4.31Å; I60-F213 HydrophobicContact CD1-CD2 4.47Å; I60-F213 HydrophobicContact CD1-CG 4.3Å; I60-F213 HydrophobicContact CG2-CB 3.8Å; I60-F213 HydrophobicContact CG2-CD1 3.55Å; I60-F213 HydrophobicContact CG2-CE1 4.38Å; I60-F213 HydrophobicContact CG2-CG 3.85Å; I60-T218 HydrophobicContact CG2-CG2 3.67Å; I60-F219 WeakPolarHBondContact CA-O 3.04Å; I60-V220 HydrophobicContact CG1-CG1 4.23Å; I60-V220 HydrophobicContact CG1-CG2 4.27Å; I60-V220 HydrophobicContact CG2-CG2 4.15Å |
| 61 | R | 98.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.3 | 176.4 | -63.6 | 178.6 | -170 | 116.3 | 7.4 | 109.6 | S47 Y48 T59 Q64 T218 F219 E221 | S47-R61 WeakPolarHBondContact O-CA 3.18Å; Y48-R61 HydrophobicContact CD2-CG 3.91Å; Y48-R61 HydrophobicContact CE2-CG 4.3Å; T59-R61 HydrophobicContact CG2-CG 4.39Å; R61-Q64 HydrophobicContact CB-CG 3.56Å; R61-T218 WeakPolarHBondContact O-CA 3.14Å; R61-F219 PolarHBondContact N-O 3.04Å; R61-F219 PolarHBondContact O-N 2.91Å; R61-E221 IonicContact CZ-OE2 2.58Å; R61-E221 IonicContact NH1-OE2 3.8Å; R61-E221 PolarHBondContact NH1-OE2 2.78Å; R61-E221 IonicContact NH2-OE2 3.44Å |
| 62 | L | 96 | Very high | 91.5 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -83.3 | 165.4 | 171.8 | -57.7 | -171.3 | 0 | 0 | 0 | 111.4 | V46 S47 Q64 F213 T218 | V46-L62 WeakPolarHBondContact O-CD1 3.24Å; S47-L62 PolarHBondContact O-N 2.92Å; L62-Q64 PolarHBondContact O-N 2.98Å; L62-Q64 VanDerWaalsContact O-N 3.13Å; L62-Q64 PolarHBondContact O-NE2 3.07Å; L62-F213 HydrophobicContact CD1-CD1 4.29Å; L62-F213 HydrophobicContact CD2-CB 4.37Å; L62-F213 HydrophobicContact CD2-CD1 3.77Å; L62-F213 HydrophobicContact CG-CD1 3.95Å; L62-F213 HydrophobicContact CG-CE1 4.37Å; L62-T218 HydrophobicContact CD2-CG2 3.85Å; L62-T218 WeakPolarHBondContact CD2-OG1 3.44Å |
| 63 | D | 95.1 | Very high | 91.2 | Very high | 99 Ų | 99 | 54 Ų | 54 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 55.7 | 28.6 | 174.5 | -62.9 | -54.1 | 0 | 0 | 0 | 115.6 | R217 | D63-R217 PolarHBondContact N-O 3.17Å; D63-R217 PolarHBondContact O-NH2 2.78Å; D63-R217 IonicContact OD1-NH1 3.63Å |
| 64 | Q | 96.1 | Very high | 91 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 148.3 | 179.5 | -59.6 | -55.8 | -69.9 | 0 | 0 | 111.5 | R61 L62 Y169 R217 F219 | R61-Q64 HydrophobicContact CB-CG 3.56Å; L62-Q64 PolarHBondContact O-N 2.98Å; L62-Q64 VanDerWaalsContact O-N 3.13Å; L62-Q64 PolarHBondContact O-NE2 3.07Å; Q64-Y169 HydrophobicContact CB-CE2 4.3Å; Q64-Y169 PolarHBondContact O-OH 2.95Å; Q64-R217 PolarHBondContact N-O 3.05Å; Q64-F219 HydrophobicContact CB-CB 3.89Å; Q64-F219 HydrophobicContact CG-CB 3.73Å |
| 65 | K | 94.1 | Very high | 91.1 | Very high | 179 Ų | 179 | 65 Ų | 65 | 78% | 0.778 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 149.3 | 166.2 | -69.2 | -179.6 | -179.7 | 178.8 | 0 | 109 | ||
| 66 | P | 90.3 | Very high | 91 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 138.5 | 173.4 | -22.6 | 31.9 | 0 | 0 | 0 | 110.6 | Y169 | P66-Y169 HydrophobicContact CB-CD1 4.43Å; P66-Y169 HydrophobicContact CB-CE1 3.83Å; P66-Y169 WeakPolarHBondContact CD-OH 3.46Å; P66-Y169 HydrophobicContact CG-CE1 3.86Å |
| 67 | P | 91.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 75.2 Ų | 75.2 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -64 | 139.6 | 174.6 | 28 | -34.1 | 0 | 0 | 0 | 109.8 | V69 L157 L159 F219 | P67-V69 PolarHBondContact O-N 2.84Å; P67-L157 HydrophobicContact CG-CD2 3.76Å; P67-L159 HydrophobicContact CB-CD1 4.34Å; P67-L159 HydrophobicContact CG-CD1 4.13Å; P67-F219 HydrophobicContact CB-CE2 4.48Å; P67-F219 HydrophobicContact CG-CE2 4.24Å |
| 68 | V | 85.7 | Confident | 89.9 | Confident | 137 Ų | 137 | 75.3 Ų | 75.3 | 83% | 0.83 | 39% | 0.393 | S | S | * | . | trans | -77.9 | 114.9 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 69 | V | 84.9 | Confident | 89.5 | Confident | 33 Ų | 33 | 82.7 Ų | 82.7 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | trans | -118.2 | 109.5 | 177 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | P67 F73 F138 A140 L157 L159 | P67-V69 PolarHBondContact O-N 2.84Å; V69-F73 HydrophobicContact CB-CE2 4.17Å; V69-F73 HydrophobicContact CB-CZ 4.26Å; V69-F73 HydrophobicContact CG1-CE2 3.75Å; V69-F73 HydrophobicContact CG1-CZ 3.77Å; V69-F138 HydrophobicContact CG1-CD2 4.25Å; V69-F138 HydrophobicContact CG1-CE1 4.28Å; V69-F138 HydrophobicContact CG1-CE2 3.46Å; V69-F138 VanDerWaalsContact CG1-CE2 3.46Å; V69-F138 HydrophobicContact CG1-CZ 3.49Å; V69-F138 VanDerWaalsContact CG1-CZ 3.49Å; V69-A140 HydrophobicContact CG1-CB 4.46Å; V69-L157 HydrophobicContact CG2-CD2 3.91Å; V69-L159 HydrophobicContact CG1-CD2 4.15Å; V69-L159 HydrophobicContact CG2-CD1 3.77Å; V69-L159 HydrophobicContact CG2-CD2 3.84Å; V69-L159 HydrophobicContact CG2-CG 4.42Å | ||
| 70 | S | 77.5 | Confident | 89.3 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | trans | -95.8 | 111.1 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 108.7 | F138 | S70-F138 WeakPolarHBondContact O-CZ 3.23Š| ||
| 71 | G | 74.5 | Confident | 89.2 | Confident | 31 Ų | 31 | 87.9 Ų | 87.9 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 176.6 | 161.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F73 | G71-F73 PolarHBondContact O-N 2.81Å; G71-F73 VanDerWaalsContact O-N 3.16Å |
| 72 | D | 80.2 | Confident | 89.1 | Confident | 119 Ų | 119 | 89.6 Ų | 89.6 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | trans | -81 | 99.8 | -178.5 | -69.9 | -28.4 | 0 | 0 | 0 | 109.7 | F74 | D72-F74 HydrophobicContact CB-CE2 3.89Å; D72-F74 HydrophobicContact CB-CZ 3.91Å; D72-F74 WeakPolarHBondContact O-CD2 3.46Å; D72-F74 VanDerWaalsContact O-CE2 3.23Å; D72-F74 WeakPolarHBondContact O-CE2 3.45Å; D72-F74 PolarHBondContact O-N 3.36Å | ||
| 73 | F | 87.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 89 Ų | 89 | 29% | 0.285 | 46% | 0.46 | S | S | . | . | trans | -76.2 | 115.3 | 173.9 | -81.8 | -89.8 | 0 | 0 | 0 | 110.4 | V69 G71 N131 A133 A140 K142 L157 | V69-F73 HydrophobicContact CB-CE2 4.17Å; V69-F73 HydrophobicContact CB-CZ 4.26Å; V69-F73 HydrophobicContact CG1-CE2 3.75Å; V69-F73 HydrophobicContact CG1-CZ 3.77Å; G71-F73 PolarHBondContact O-N 2.81Å; G71-F73 VanDerWaalsContact O-N 3.16Å; F73-N131 HydrophobicContact CB-CB 4.09Å; F73-N131 HydrophobicContact CD1-CB 3.78Å; F73-N131 HydrophobicContact CG-CB 4.37Å; F73-A133 HydrophobicContact CD1-CB 4.39Å; F73-A133 HydrophobicContact CE1-CB 4.48Å; F73-A140 HydrophobicContact CE1-CB 3.54Å; F73-A140 HydrophobicContact CZ-CB 3.58Å; F73-K142 HydrophobicContact CE1-CB 4.41Å; F73-L157 HydrophobicContact CE1-CD1 4.27Å; F73-L157 HydrophobicContact CZ-CD1 4.19Å | ||
| 74 | F | 89.9 | Confident | 89.3 | Confident | 119 Ų | 119 | 88.8 Ų | 88.8 | 52% | 0.522 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.9 | 174.2 | -61.2 | -82.9 | 0 | 0 | 0 | 110.2 | D72 K76 N131 T132 | D72-F74 HydrophobicContact CB-CE2 3.89Å; D72-F74 HydrophobicContact CB-CZ 3.91Å; D72-F74 WeakPolarHBondContact O-CD2 3.46Å; D72-F74 VanDerWaalsContact O-CE2 3.23Å; D72-F74 WeakPolarHBondContact O-CE2 3.45Å; D72-F74 PolarHBondContact O-N 3.36Å; F74-K76 PolarHBondContact O-N 2.77Å; F74-N131 WeakPolarHBondContact O-CA 3.42Å; F74-T132 PolarHBondContact N-O 3.02Å; F74-T132 PolarHBondContact O-N 2.89Å |
| 75 | K | 91.5 | Very high | 89.4 | Confident | 139 Ų | 139 | 86.3 Ų | 86.3 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.2 | 171.8 | -170.7 | 173.3 | -174 | 173.7 | 0 | 110.1 | N129 N131 | K75-N129 VanDerWaalsContact CE-CB 3.47Å; K75-N129 WeakPolarHBondContact CE-OD1 3.46Å; K75-N129 HydrophobicContact CG-CB 4.36Å; K75-N129 PolarHBondContact NZ-ND2 3.36Å; K75-N131 WeakPolarHBondContact CA-OD1 2.98Å |
| 76 | K | 90.8 | Very high | 89.5 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 25% | 0.248 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.2 | 176.1 | -58 | -57.1 | -177 | 175.2 | 0 | 109.4 | F74 Q81 N129 F130 T132 | F74-K76 PolarHBondContact O-N 2.77Å; K76-Q81 HydrophobicContact CG-CG 4.29Å; K76-N129 WeakPolarHBondContact O-CA 3.24Å; K76-N129 WeakPolarHBondContact O-CB 3.5Å; K76-F130 HydrophobicContact CB-CD2 4.41Å; K76-F130 HydrophobicContact CB-CE1 4.37Å; K76-F130 HydrophobicContact CB-CE2 4.12Å; K76-F130 HydrophobicContact CB-CZ 4.11Å; K76-F130 HydrophobicContact CG-CE2 4.31Å; K76-F130 PolarHBondContact N-O 2.94Å; K76-F130 PolarHBondContact O-N 3.44Å; K76-T132 WeakPolarHBondContact CE-OG1 3.24Å; K76-T132 HydrophobicContact CG-CG2 4.22Å |
| 77 | Q | 84.6 | Confident | 89.8 | Confident | 161 Ų | 161 | 80.7 Ų | 80.7 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 73 | 175.2 | -171.8 | 177.9 | 2.6 | 0 | 0 | 108 | ||
| 78 | S | 84.4 | Confident | 90 | Very high | 40 Ų | 40 | 84.6 Ų | 84.6 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -150.7 | 148.3 | -176.6 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | V80 F130 | S78-V80 PolarHBondContact O-N 2.85Å; S78-V80 PolarHBondContact OG-O 3.07Å; S78-F130 WeakPolarHBondContact O-CE1 3.46Å |
| 79 | F | 90.7 | Very high | 90.5 | Very high | 155 Ų | 155 | 78.4 Ų | 78.4 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -59.8 | -35.7 | 172.5 | -68.9 | -72.7 | 0 | 0 | 0 | 112.4 | L102 N103 | F79-L102 WeakPolarHBondContact O-CA 3.41Å; F79-N103 PolarHBondContact O-N 3.44Å; F79-N103 PolarHBondContact O-OD1 2.86Å |
| 80 | V | 94.1 | Very high | 91 | Very high | 72 Ų | 72 | 82.7 Ų | 82.7 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 134.4 | -178.6 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | S78 I101 L102 | S78-V80 PolarHBondContact O-N 2.85Å; S78-V80 PolarHBondContact OG-O 3.07Å; V80-I101 CarbonylContact C-O 3.55Å; V80-I101 VanDerWaalsContact CA-O 3.3Å; V80-I101 WeakPolarHBondContact CA-O 3.45Å; V80-L102 HydrophobicContact CG1-CD1 4.35Å; V80-L102 HydrophobicContact CG2-CD1 4.49Å; V80-L102 HydrophobicContact CG2-CG 4.18Å |
| 81 | Q | 95.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 23% | 0.229 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.4 | 168.5 | 173.5 | 64.7 | 64 | 0 | 0 | 109.6 | K76 I83 I101 F130 | K76-Q81 HydrophobicContact CG-CG 4.29Å; Q81-I83 HydrophobicContact CG-CG1 4.16Å; Q81-I101 HydrophobicContact CB-CB 4.41Å; Q81-I101 PolarHBondContact N-O 3.49Å; Q81-I101 PolarHBondContact O-N 3.23Å; Q81-F130 HydrophobicContact CB-CE2 4.01Å; Q81-F130 HydrophobicContact CB-CZ 3.72Å |
| 82 | K | 96.9 | Very high | 92.8 | Very high | 122 Ų | 122 | 76.7 Ų | 76.7 | 53% | 0.53 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135 | 174 | -69.1 | 173.4 | 167.9 | -117.9 | 0 | 110.8 | E98 L99 | K82-E98 HydrophobicContact CB-CG 4.24Å; K82-E98 WeakPolarHBondContact CD-OE1 3.43Å; K82-E98 WeakPolarHBondContact CE-OE1 3.4Å; K82-E98 HydrophobicContact CG-CG 4.44Å; K82-E98 IonicContact NZ-OE1 3.45Å; K82-E98 PolarHBondContact NZ-OE1 3.29Å; K82-E98 IonicContact NZ-OE2 2.73Å; K82-L99 CarbonylContact C-O 3.52Å; K82-L99 WeakPolarHBondContact CA-O 3.14Å |
| 83 | I | 96.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.1 | 178.8 | -60.6 | -179.4 | 0 | 0 | 0 | 108.8 | Q81 E98 L99 I101 T132 N134 I139 | Q81-I83 HydrophobicContact CG-CG1 4.16Å; I83-E98 WeakPolarHBondContact O-CA 3.25Å; I83-L99 HydrophobicContact CB-CB 4.42Å; I83-L99 PolarHBondContact N-O 2.89Å; I83-L99 PolarHBondContact O-N 2.92Å; I83-I101 HydrophobicContact CD1-CD1 4.45Å; I83-I101 HydrophobicContact CD1-CG1 3.78Å; I83-I101 HydrophobicContact CG1-CG1 4.25Å; I83-T132 HydrophobicContact CD1-CG2 4.19Å; I83-N134 HydrophobicContact CG2-CB 3.95Å; I83-I139 HydrophobicContact CD1-CG2 4.21Å; I83-I139 HydrophobicContact CG2-CD1 4.16Å; I83-I139 HydrophobicContact CG2-CG2 4.46Å |
| 84 | T | 97.9 | Very high | 93.4 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | trans | -88.9 | 119.1 | 164.9 | -55.7 | 0 | 0 | 0 | 0 | 108.4 | K86 N134 | T84-K86 PolarHBondContact O-N 3.12Å; T84-N134 PolarHBondContact O-ND2 3.17Å | ||
| 85 | P | 97.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | trans | -57.1 | 136.2 | 177.3 | -25.5 | 34.9 | 0 | 0 | 0 | 112.4 | F87 L89 V96 I139 | P85-F87 HydrophobicContact CB-CE2 4.46Å; P85-F87 WeakPolarHBondContact CB-O 3.41Å; P85-F87 PolarHBondContact O-N 2.89Å; P85-L89 HydrophobicContact CB-CB 4.18Å; P85-L89 HydrophobicContact CG-CB 4.22Å; P85-L89 HydrophobicContact CG-CD2 4Å; P85-V96 HydrophobicContact CG-CG1 4.27Å; P85-I139 HydrophobicContact CB-CD1 3.9Å; P85-I139 HydrophobicContact CG-CD1 3.94Å | ||
| 86 | K | 96.7 | Very high | 94 | Very high | 119 Ų | 119 | 66.6 Ų | 66.6 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -75.8 | -3.8 | 174.4 | -70.6 | -179.5 | 179.5 | 168 | 0 | 113.9 | T84 N134 E135 | T84-K86 PolarHBondContact O-N 3.12Å; K86-N134 VanDerWaalsContact CD-O 3.24Å; K86-N134 WeakPolarHBondContact CD-O 2.85Å; K86-N134 WeakPolarHBondContact CE-O 3.22Å; K86-N134 PolarHBondContact NZ-O 3Å; K86-E135 IonicContact NZ-OE2 3.63Å |
| 87 | F | 96.7 | Very high | 94.3 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 9% | 0.088 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -133.5 | 158.8 | -177.3 | 49.8 | -100.5 | 0 | 0 | 0 | 110.5 | P85 L89 E135 N136 I139 P162 | P85-F87 HydrophobicContact CB-CE2 4.46Å; P85-F87 WeakPolarHBondContact CB-O 3.41Å; P85-F87 PolarHBondContact O-N 2.89Å; F87-L89 HydrophobicContact CD2-CB 4.01Å; F87-L89 HydrophobicContact CE2-CB 3.83Å; F87-L89 HydrophobicContact CE2-CD1 4.11Å; F87-L89 HydrophobicContact CE2-CD2 4.45Å; F87-L89 HydrophobicContact CE2-CG 4.33Å; F87-L89 PolarHBondContact O-N 3.35Å; F87-E135 WeakPolarHBondContact CE1-O 3.36Å; F87-N136 VanDerWaalsContact CD1-O 3.24Å; F87-N136 WeakPolarHBondContact CD1-O 3.32Å; F87-I139 HydrophobicContact CE1-CD1 4.42Å; F87-I139 HydrophobicContact CE1-CG1 4.02Å; F87-I139 HydrophobicContact CZ-CD1 4Å; F87-I139 HydrophobicContact CZ-CG1 3.89Å; F87-P162 HydrophobicContact CB-CB 4.25Å; F87-P162 HydrophobicContact CB-CG 4.24Å; F87-P162 HydrophobicContact CD1-CG 3.93Å; F87-P162 VanDerWaalsContact CD2-CA 3.46Å; F87-P162 HydrophobicContact CD2-CB 3.79Å; F87-P162 HydrophobicContact CD2-CG 3.9Å; F87-P162 HydrophobicContact CE1-CG 4.2Å; F87-P162 HydrophobicContact CE2-CB 4.26Å; F87-P162 HydrophobicContact CE2-CG 4.15Å; F87-P162 HydrophobicContact CG-CB 3.99Å; F87-P162 HydrophobicContact CG-CG 3.76Å; F87-P162 HydrophobicContact CZ-CG 4.29Å |
| 88 | P | 95.4 | Very high | 95 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 76% | 0.76 | 32% | 0.319 | S | S | * | . | trans | -69.1 | 93.2 | 176.8 | 28.4 | -34.6 | 0 | 0 | 0 | 111.1 | ||||
| 89 | L | 97 | Very high | 95.7 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | trans | -88.7 | 139 | 178.5 | 178 | 60.6 | 0 | 0 | 0 | 111.7 | P85 F87 V96 L99 I160 | P85-L89 HydrophobicContact CB-CB 4.18Å; P85-L89 HydrophobicContact CG-CB 4.22Å; P85-L89 HydrophobicContact CG-CD2 4Å; F87-L89 HydrophobicContact CD2-CB 4.01Å; F87-L89 HydrophobicContact CE2-CB 3.83Å; F87-L89 HydrophobicContact CE2-CD1 4.11Å; F87-L89 HydrophobicContact CE2-CD2 4.45Å; F87-L89 HydrophobicContact CE2-CG 4.33Å; F87-L89 PolarHBondContact O-N 3.35Å; L89-V96 HydrophobicContact CB-CB 4.12Å; L89-V96 HydrophobicContact CB-CG2 4.5Å; L89-V96 HydrophobicContact CD2-CB 3.98Å; L89-V96 HydrophobicContact CD2-CG1 4.02Å; L89-V96 HydrophobicContact CD2-CG2 4.06Å; L89-V96 HydrophobicContact CG-CB 3.95Å; L89-V96 HydrophobicContact CG-CG2 3.87Å; L89-V96 PolarHBondContact O-N 2.87Å; L89-L99 HydrophobicContact CD2-CD1 4.44Å; L89-I160 HydrophobicContact CD1-CG2 3.68Å; L89-I160 HydrophobicContact CD2-CG2 3.77Å; L89-I160 HydrophobicContact CG-CG2 4.41Å | ||
| 90 | K | 95 | Very high | 96 | Very high | 123 Ų | 123 | 54.3 Ų | 54.3 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144 | 167.8 | -66.6 | -177.6 | 178.2 | -175.7 | 0 | 111 | Q94 | K90-Q94 CarbonylContact C-O 3.6Å; K90-Q94 WeakPolarHBondContact CA-O 3.36Å |
| 91 | Y | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122 | 174.8 | -177.7 | -102.1 | 0 | 0 | 0 | 108.9 | G93 Q94 I109 I118 M166 D187 | Y91-G93 PolarHBondContact O-N 3.29Å; Y91-G93 VanDerWaalsContact O-N 3.15Å; Y91-Q94 PolarHBondContact N-O 3.32Å; Y91-Q94 WeakPolarHBondContact O-CB 3.3Å; Y91-Q94 PolarHBondContact O-N 2.92Å; Y91-I109 HydrophobicContact CD1-CD1 3.74Å; Y91-I109 HydrophobicContact CD1-CG2 4.3Å; Y91-I109 HydrophobicContact CD2-CD1 3.47Å; Y91-I109 VanDerWaalsContact CD2-CD1 3.47Å; Y91-I109 HydrophobicContact CE1-CD1 3.72Å; Y91-I109 HydrophobicContact CE2-CD1 3.42Å; Y91-I109 VanDerWaalsContact CE2-CD1 3.42Å; Y91-I109 HydrophobicContact CG-CD1 3.61Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; Y91-I118 HydrophobicContact CE2-CD1 4.47Å; Y91-I118 HydrophobicContact CE2-CG1 4.45Å; Y91-M166 HydrophobicContact CD2-CE 4.1Å; Y91-M166 HydrophobicContact CD2-SD 3.93Å; Y91-M166 HydrophobicContact CE2-CE 3.76Å; Y91-M166 HydrophobicContact CE2-SD 3.77Å; Y91-D187 WeakPolarHBondContact CE1-O 3.37Å; Y91-D187 PolarHBondContact OH-N 3.23Å; Y91-D187 PolarHBondContact OH-O 2.83Å |
| 92 | Y | 93.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.1 | -170 | -74 | -110.1 | 0 | 0 | 0 | 112.8 | E55 Y56 Q94 I186 Y188 Y204 N205 T263 | E55-Y92 HydrophobicContact CB-CD1 3.58Å; E55-Y92 HydrophobicContact CB-CE1 3.85Å; E55-Y92 HydrophobicContact CB-CG 4.29Å; E55-Y92 HydrophobicContact CG-CD1 3.57Å; E55-Y92 HydrophobicContact CG-CE1 4.09Å; E55-Y92 HydrophobicContact CG-CG 4.45Å; Y56-Y92 HydrophobicContact CD2-CD2 4.22Å; Y56-Y92 HydrophobicContact CD2-CE1 4.32Å; Y56-Y92 AromaticContact CD2-CE2 3.95Å; Y56-Y92 HydrophobicContact CD2-CE2 3.95Å; Y56-Y92 HydrophobicContact CE2-CD1 4.33Å; Y56-Y92 AromaticContact CE2-CD2 3.44Å; Y56-Y92 HydrophobicContact CE2-CD2 3.44Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.44Å; Y56-Y92 HydrophobicContact CE2-CE1 4.41Å; Y56-Y92 AromaticContact CE2-CE2 3.54Å; Y56-Y92 HydrophobicContact CE2-CE2 3.54Å; Y56-Y92 AromaticContact CE2-CG 3.85Å; Y56-Y92 HydrophobicContact CE2-CG 3.85Å; Y56-Y92 PolarHBondContact OH-N 2.73Å; Y92-Q94 PolarHBondContact O-N 2.97Å; Y92-I186 HydrophobicContact CE2-CD1 4.39Å; Y92-Y188 HydrophobicContact CD1-CG 4.45Å; Y92-Y188 HydrophobicContact CG-CD2 4.14Å; Y92-Y188 HydrophobicContact CG-CG 4.3Å; Y92-Y204 HydrophobicContact CD1-CD1 4.32Å; Y92-Y204 HydrophobicContact CD1-CE1 4.39Å; Y92-Y204 HydrophobicContact CE1-CD1 4.38Å; Y92-N205 PolarHBondContact OH-O 2.92Å; Y92-T263 HydrophobicContact CD1-CG2 4.44Å; Y92-T263 PolarHBondContact O-OG1 2.87Å |
| 93 | G | 90.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 24% | 0.237 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -15.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y91 | Y91-G93 PolarHBondContact O-N 3.29Å; Y91-G93 VanDerWaalsContact O-N 3.15Å |
| 94 | Q | 91.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 141.6 | -178.9 | -58.6 | -53.7 | -50.3 | 0 | 0 | 111.6 | K90 Y91 Y92 V96 I115 Y188 | K90-Q94 CarbonylContact C-O 3.6Å; K90-Q94 WeakPolarHBondContact CA-O 3.36Å; Y91-Q94 PolarHBondContact N-O 3.32Å; Y91-Q94 WeakPolarHBondContact O-CB 3.3Å; Y91-Q94 PolarHBondContact O-N 2.92Å; Y92-Q94 PolarHBondContact O-N 2.97Å; Q94-V96 PolarHBondContact O-N 2.91Å; Q94-I115 HydrophobicContact CB-CD1 3.96Å; Q94-Y188 HydrophobicContact CB-CE2 4.27Å; Q94-Y188 HydrophobicContact CG-CE2 3.53Å |
| 95 | K | 95.2 | Very high | 95.5 | Very high | 146 Ų | 146 | 43.2 Ų | 43.2 | 64% | 0.635 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.2 | 178.6 | -176.5 | 178.6 | 179.6 | 178.5 | 0 | 110.5 | G111 | K95-G111 VanDerWaalsContact O-CA 3.25Å; K95-G111 WeakPolarHBondContact O-CA 3.06Å |
| 96 | V | 97.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -91.7 | 133.1 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | P85 L89 Q94 L99 I109 I115 | P85-V96 HydrophobicContact CG-CG1 4.27Å; L89-V96 HydrophobicContact CB-CB 4.12Å; L89-V96 HydrophobicContact CB-CG2 4.5Å; L89-V96 HydrophobicContact CD2-CB 3.98Å; L89-V96 HydrophobicContact CD2-CG1 4.02Å; L89-V96 HydrophobicContact CD2-CG2 4.06Å; L89-V96 HydrophobicContact CG-CB 3.95Å; L89-V96 HydrophobicContact CG-CG2 3.87Å; L89-V96 PolarHBondContact O-N 2.87Å; Q94-V96 PolarHBondContact O-N 2.91Å; V96-L99 HydrophobicContact CG1-CD2 3.82Å; V96-L99 HydrophobicContact CG1-CG 4.27Å; V96-I109 HydrophobicContact CB-CG2 4.34Å; V96-I109 HydrophobicContact CG1-CG2 3.79Å; V96-I109 HydrophobicContact CG2-CG2 3.65Å; V96-I115 HydrophobicContact CG2-CD1 4.22Å |
| 97 | K | 98 | Very high | 95.4 | Very high | 102 Ų | 102 | 37.3 Ų | 37.3 | 44% | 0.443 | 19% | 0.194 | S | C | . | . | trans | -109 | -36.7 | 174.2 | -63.1 | -168.5 | -169.4 | 173.2 | 0 | 112.6 | Y110 G111 D112 | K97-Y110 PolarHBondContact N-O 2.82Å; K97-G111 WeakPolarHBondContact CD-O 3.27Å; K97-D112 WeakPolarHBondContact CE-OD1 3.38Å; K97-D112 IonicContact NZ-OD1 3.7Å; K97-D112 PolarHBondContact NZ-OD1 2.84Å | ||
| 98 | E | 98.4 | Very high | 95.5 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 142 | -177.7 | -176.8 | 177.8 | 97.7 | 0 | 0 | 110.3 | K82 I83 Y110 | K82-E98 HydrophobicContact CB-CG 4.24Å; K82-E98 WeakPolarHBondContact CD-OE1 3.43Å; K82-E98 WeakPolarHBondContact CE-OE1 3.4Å; K82-E98 HydrophobicContact CG-CG 4.44Å; K82-E98 IonicContact NZ-OE1 3.45Å; K82-E98 PolarHBondContact NZ-OE1 3.29Å; K82-E98 IonicContact NZ-OE2 2.73Å; I83-E98 WeakPolarHBondContact O-CA 3.25Å; E98-Y110 PolarHBondContact N-O 2.84Å; E98-Y110 VanDerWaalsContact N-O 3.16Å; E98-Y110 PolarHBondContact O-N 2.89Å |
| 99 | L | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.4 | 165.7 | -58.3 | 174.4 | 0 | 0 | 0 | 108 | K82 I83 L89 V96 I101 I107 E108 I109 I139 I160 | K82-L99 CarbonylContact C-O 3.52Å; K82-L99 WeakPolarHBondContact CA-O 3.14Å; I83-L99 HydrophobicContact CB-CB 4.42Å; I83-L99 PolarHBondContact N-O 2.89Å; I83-L99 PolarHBondContact O-N 2.92Å; L89-L99 HydrophobicContact CD2-CD1 4.44Å; V96-L99 HydrophobicContact CG1-CD2 3.82Å; V96-L99 HydrophobicContact CG1-CG 4.27Å; L99-I101 HydrophobicContact CB-CD1 3.99Å; L99-I107 HydrophobicContact CB-CG2 4.26Å; L99-I107 HydrophobicContact CD2-CG2 4.14Å; L99-E108 CarbonylContact C-O 3.59Å; L99-E108 WeakPolarHBondContact CA-O 3.33Å; L99-I109 HydrophobicContact CD2-CB 4.2Å; L99-I109 HydrophobicContact CD2-CD1 4.49Å; L99-I109 HydrophobicContact CD2-CG1 3.81Å; L99-I109 HydrophobicContact CD2-CG2 3.92Å; L99-I139 HydrophobicContact CD1-CD1 3.68Å; L99-I139 HydrophobicContact CD1-CG2 4.37Å; L99-I160 HydrophobicContact CD1-CD1 3.68Å |
| 100 | S | 97.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.2 | 168.5 | -70.8 | 0 | 0 | 0 | 0 | 109 | L102 I107 E108 | S100-L102 WeakPolarHBondContact O-CD1 3.44Å; S100-I107 WeakPolarHBondContact O-CA 3.12Å; S100-E108 PolarHBondContact N-O 2.82Å; S100-E108 PolarHBondContact O-N 3.13Å |
| 101 | I | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.1 | -178.5 | -47.4 | -51.8 | 0 | 0 | 0 | 108.6 | V80 Q81 I83 L99 I107 F130 V141 W143 | V80-I101 CarbonylContact C-O 3.55Å; V80-I101 VanDerWaalsContact CA-O 3.3Å; V80-I101 WeakPolarHBondContact CA-O 3.45Å; Q81-I101 HydrophobicContact CB-CB 4.41Å; Q81-I101 PolarHBondContact N-O 3.49Å; Q81-I101 PolarHBondContact O-N 3.23Å; I83-I101 HydrophobicContact CD1-CD1 4.45Å; I83-I101 HydrophobicContact CD1-CG1 3.78Å; I83-I101 HydrophobicContact CG1-CG1 4.25Å; L99-I101 HydrophobicContact CB-CD1 3.99Å; I101-I107 HydrophobicContact CD1-CB 4.27Å; I101-I107 HydrophobicContact CD1-CD1 4.2Å; I101-I107 HydrophobicContact CD1-CG1 3.88Å; I101-I107 HydrophobicContact CD1-CG2 3.7Å; I101-F130 HydrophobicContact CB-CE2 4Å; I101-F130 HydrophobicContact CB-CZ 4.27Å; I101-F130 HydrophobicContact CG2-CD2 4.03Å; I101-F130 HydrophobicContact CG2-CE2 3.46Å; I101-F130 VanDerWaalsContact CG2-CE2 3.46Å; I101-F130 HydrophobicContact CG2-CZ 3.96Å; I101-V141 HydrophobicContact CD1-CG2 3.95Å; I101-V141 HydrophobicContact CG1-CG2 4.14Å; I101-V141 HydrophobicContact CG2-CB 4.45Å; I101-V141 HydrophobicContact CG2-CG1 3.56Å; I101-V141 HydrophobicContact CG2-CG2 4.07Å; I101-W143 HydrophobicContact CG2-CH2 4.45Å; I101-W143 HydrophobicContact CG2-CZ2 3.65Å |
| 102 | L | 95.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 142.8 | 177.6 | -74.9 | 65.2 | 0 | 0 | 0 | 109.8 | F79 V80 S100 S104 G105 V106 E108 W143 | F79-L102 WeakPolarHBondContact O-CA 3.41Å; V80-L102 HydrophobicContact CG1-CD1 4.35Å; V80-L102 HydrophobicContact CG2-CD1 4.49Å; V80-L102 HydrophobicContact CG2-CG 4.18Å; S100-L102 WeakPolarHBondContact O-CD1 3.44Å; L102-S104 PolarHBondContact O-N 3.07Å; L102-S104 VanDerWaalsContact O-N 3.16Å; L102-G105 PolarHBondContact O-N 2.82Å; L102-V106 HydrophobicContact CB-CB 4.15Å; L102-V106 WeakPolarHBondContact CB-O 3.17Å; L102-V106 HydrophobicContact CD2-CB 4.2Å; L102-V106 HydrophobicContact CD2-CG1 4.39Å; L102-V106 PolarHBondContact N-O 2.87Å; L102-E108 HydrophobicContact CD1-CG 4.18Å; L102-W143 PolarHBondContact O-NE1 2.81Å |
| 103 | N | 92.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.7 | 174.3 | 67.2 | -15.2 | 0 | 0 | 0 | 112.9 | F79 G105 F126 F130 | F79-N103 PolarHBondContact O-N 3.44Å; F79-N103 PolarHBondContact O-OD1 2.86Å; N103-G105 PolarHBondContact O-N 2.84Å; N103-G105 VanDerWaalsContact O-N 3.16Å; N103-F126 WeakPolarHBondContact O-CB 3.34Å; N103-F130 HydrophobicContact CB-CD1 3.92Å; N103-F130 HydrophobicContact CB-CE1 3.9Å |
| 104 | S | 91.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 8.8 | 177.4 | 67 | 0 | 0 | 0 | 0 | 115 | L102 F126 | L102-S104 PolarHBondContact O-N 3.07Å; L102-S104 VanDerWaalsContact O-N 3.16Å; S104-F126 VanDerWaalsContact C-CD2 3.46Å; S104-F126 WeakPolarHBondContact O-CD2 3.41Å |
| 105 | G | 93.5 | Very high | 96 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 34.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L102 N103 I120 | L102-G105 PolarHBondContact O-N 2.82Å; N103-G105 PolarHBondContact O-N 2.84Å; N103-G105 VanDerWaalsContact O-N 3.16Å; G105-I120 WeakPolarHBondContact O-CB 3.46Å; G105-I120 VanDerWaalsContact O-CG1 3.29Å; G105-I120 WeakPolarHBondContact O-CG1 3.25Å; G105-I120 PolarHBondContact O-N 2.76Å |
| 106 | V | 95.6 | Very high | 96 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.5 | 174.5 | 174.2 | 0 | 0 | 0 | 0 | 108.8 | L102 E108 Q117 I118 | L102-V106 HydrophobicContact CB-CB 4.15Å; L102-V106 WeakPolarHBondContact CB-O 3.17Å; L102-V106 HydrophobicContact CD2-CB 4.2Å; L102-V106 HydrophobicContact CD2-CG1 4.39Å; L102-V106 PolarHBondContact N-O 2.87Å; V106-E108 HydrophobicContact CG1-CG 4.24Å; V106-Q117 HydrophobicContact CG1-CG 3.84Å; V106-I118 WeakPolarHBondContact CA-O 3.48Å |
| 107 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.5 | 166.4 | -52.5 | 175.4 | 0 | 0 | 0 | 107.6 | L99 S100 I101 I109 Q117 I118 W143 Y158 I160 | L99-I107 HydrophobicContact CB-CG2 4.26Å; L99-I107 HydrophobicContact CD2-CG2 4.14Å; S100-I107 WeakPolarHBondContact O-CA 3.12Å; I101-I107 HydrophobicContact CD1-CB 4.27Å; I101-I107 HydrophobicContact CD1-CD1 4.2Å; I101-I107 HydrophobicContact CD1-CG1 3.88Å; I101-I107 HydrophobicContact CD1-CG2 3.7Å; I107-I109 HydrophobicContact CG2-CG1 4.18Å; I107-Q117 WeakPolarHBondContact O-CA 3.43Å; I107-I118 HydrophobicContact CB-CB 4.1Å; I107-I118 HydrophobicContact CB-CD1 4.25Å; I107-I118 HydrophobicContact CD1-CD1 4.12Å; I107-I118 HydrophobicContact CG2-CD1 4.49Å; I107-I118 PolarHBondContact N-O 2.83Å; I107-I118 PolarHBondContact O-N 2.93Å; I107-W143 HydrophobicContact CD1-CH2 3.87Å; I107-W143 HydrophobicContact CG1-CH2 3.72Å; I107-W143 HydrophobicContact CG1-CZ2 4.12Å; I107-Y158 HydrophobicContact CD1-CD1 4.01Å; I107-Y158 HydrophobicContact CD1-CE1 4.36Å; I107-Y158 HydrophobicContact CD1-CG 4.31Å; I107-I160 HydrophobicContact CD1-CD1 4.42Å |
| 108 | E | 98.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 24% | 0.238 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.4 | 168.7 | -65.2 | -179.3 | 166.1 | 0 | 0 | 109.7 | L99 S100 L102 V106 Y110 F114 | L99-E108 CarbonylContact C-O 3.59Å; L99-E108 WeakPolarHBondContact CA-O 3.33Å; S100-E108 PolarHBondContact N-O 2.82Å; S100-E108 PolarHBondContact O-N 3.13Å; L102-E108 HydrophobicContact CD1-CG 4.18Å; V106-E108 HydrophobicContact CG1-CG 4.24Å; E108-Y110 HydrophobicContact CB-CD2 4.37Å; E108-Y110 HydrophobicContact CB-CE2 3.53Å; E108-Y110 PolarHBondContact OE2-OH 2.83Å; E108-F114 HydrophobicContact CB-CD2 4.42Å; E108-F114 HydrophobicContact CB-CE2 3.8Å; E108-F114 HydrophobicContact CG-CE2 4Å |
| 109 | I | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.7 | -172.7 | -51.7 | 179.7 | 0 | 0 | 0 | 108.7 | Y91 V96 L99 I107 I115 G116 I118 | Y91-I109 HydrophobicContact CD1-CD1 3.74Å; Y91-I109 HydrophobicContact CD1-CG2 4.3Å; Y91-I109 HydrophobicContact CD2-CD1 3.47Å; Y91-I109 VanDerWaalsContact CD2-CD1 3.47Å; Y91-I109 HydrophobicContact CE1-CD1 3.72Å; Y91-I109 HydrophobicContact CE2-CD1 3.42Å; Y91-I109 VanDerWaalsContact CE2-CD1 3.42Å; Y91-I109 HydrophobicContact CG-CD1 3.61Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; V96-I109 HydrophobicContact CB-CG2 4.34Å; V96-I109 HydrophobicContact CG1-CG2 3.79Å; V96-I109 HydrophobicContact CG2-CG2 3.65Å; L99-I109 HydrophobicContact CD2-CB 4.2Å; L99-I109 HydrophobicContact CD2-CD1 4.49Å; L99-I109 HydrophobicContact CD2-CG1 3.81Å; L99-I109 HydrophobicContact CD2-CG2 3.92Å; I107-I109 HydrophobicContact CG2-CG1 4.18Å; I109-I115 HydrophobicContact CB-CG1 4.24Å; I109-I115 HydrophobicContact CG2-CD1 3.89Å; I109-I115 HydrophobicContact CG2-CG1 3.82Å; I109-I115 VanDerWaalsContact O-CG1 3.27Å; I109-I115 WeakPolarHBondContact O-CG1 3.28Å; I109-I115 PolarHBondContact O-N 2.8Å; I109-G116 PolarHBondContact N-O 2.97Å; I109-G116 PolarHBondContact O-N 3.16Å; I109-I118 HydrophobicContact CD1-CD1 3.83Å; I109-I118 HydrophobicContact CD1-CG1 4.16Å |
| 110 | Y | 98.2 | Very high | 95.5 | Very high | 72 Ų | 72 | 26.9 Ų | 26.9 | 28% | 0.282 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.4 | -176.8 | -65 | -92.2 | 0 | 0 | 0 | 110.9 | K97 E98 E108 D113 F114 | K97-Y110 PolarHBondContact N-O 2.82Å; E98-Y110 PolarHBondContact N-O 2.84Å; E98-Y110 VanDerWaalsContact N-O 3.16Å; E98-Y110 PolarHBondContact O-N 2.89Å; E108-Y110 HydrophobicContact CB-CD2 4.37Å; E108-Y110 HydrophobicContact CB-CE2 3.53Å; E108-Y110 PolarHBondContact OE2-OH 2.83Å; Y110-D113 WeakPolarHBondContact CA-O 3.18Å; Y110-F114 HydrophobicContact CD1-CB 4.01Å; Y110-F114 HydrophobicContact CD1-CD2 4.29Å; Y110-F114 HydrophobicContact CE1-CB 3.77Å; Y110-F114 AromaticContact CE1-CD2 3.86Å; Y110-F114 HydrophobicContact CE1-CD2 3.86Å; Y110-F114 HydrophobicContact CE1-CG 4.24Å; Y110-F114 HydrophobicContact CE2-CD2 4.32Å; Y110-F114 AromaticContact CZ-CD2 3.87Å |
| 111 | G | 96.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -101.6 | -116.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K95 K97 D113 | K95-G111 VanDerWaalsContact O-CA 3.25Å; K95-G111 WeakPolarHBondContact O-CA 3.06Å; K97-G111 WeakPolarHBondContact CD-O 3.27Å; G111-D113 PolarHBondContact N-O 3.35Å |
| 112 | D | 92.2 | Very high | 93.8 | Very high | 140 Ų | 140 | 29.6 Ų | 29.6 | 75% | 0.749 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -76.2 | -29.4 | 164.7 | -68.7 | -36 | 0 | 0 | 0 | 112.4 | K97 | K97-D112 WeakPolarHBondContact CE-OD1 3.38Å; K97-D112 IonicContact NZ-OD1 3.7Å; K97-D112 PolarHBondContact NZ-OD1 2.84Å |
| 113 | D | 92.2 | Very high | 92.7 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -128.7 | -178.3 | 173.6 | -81.9 | -55.2 | 0 | 0 | 0 | 108.1 | Y110 G111 I115 K191 | Y110-D113 WeakPolarHBondContact CA-O 3.18Å; G111-D113 PolarHBondContact N-O 3.35Å; D113-I115 PolarHBondContact O-N 3.45Å; D113-K191 VanDerWaalsContact CG-NZ 3.26Å; D113-K191 IonicContact OD1-NZ 3.39Å; D113-K191 PolarHBondContact OD1-NZ 3.21Å; D113-K191 WeakPolarHBondContact OD2-CD 3.18Å; D113-K191 IonicContact OD2-NZ 3.64Å; D113-K191 PolarHBondContact OD2-NZ 3.21Å |
| 114 | F | 95.9 | Very high | 92 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 122 | 164.7 | 177.9 | -122.1 | 0 | 0 | 0 | 109.8 | E108 Y110 G116 Q117 R189 F201 | E108-F114 HydrophobicContact CB-CD2 4.42Å; E108-F114 HydrophobicContact CB-CE2 3.8Å; E108-F114 HydrophobicContact CG-CE2 4Å; Y110-F114 HydrophobicContact CD1-CB 4.01Å; Y110-F114 HydrophobicContact CD1-CD2 4.29Å; Y110-F114 HydrophobicContact CE1-CB 3.77Å; Y110-F114 AromaticContact CE1-CD2 3.86Å; Y110-F114 HydrophobicContact CE1-CD2 3.86Å; Y110-F114 HydrophobicContact CE1-CG 4.24Å; Y110-F114 HydrophobicContact CE2-CD2 4.32Å; Y110-F114 AromaticContact CZ-CD2 3.87Å; F114-G116 WeakPolarHBondContact CE2-O 3.49Å; F114-Q117 HydrophobicContact CZ-CB 4.07Å; F114-R189 HydrophobicContact CD1-CB 3.84Å; F114-R189 HydrophobicContact CD1-CG 4.12Å; F114-R189 HydrophobicContact CE1-CB 3.7Å; F114-R189 HydrophobicContact CE1-CG 3.44Å; F114-R189 VanDerWaalsContact CE1-CG 3.44Å; F114-R189 HydrophobicContact CZ-CB 4.39Å; F114-R189 HydrophobicContact CZ-CG 3.8Å; F114-F201 HydrophobicContact CB-CD1 4.31Å; F114-F201 HydrophobicContact CB-CE1 3.86Å; F114-F201 HydrophobicContact CB-CE2 4.38Å; F114-F201 HydrophobicContact CB-CZ 3.89Å; F114-F201 HydrophobicContact CD1-CB 4Å; F114-F201 AromaticContact CD1-CD1 3.74Å; F114-F201 HydrophobicContact CD1-CD1 3.74Å; F114-F201 HydrophobicContact CD1-CD2 4Å; F114-F201 HydrophobicContact CD1-CE1 4.16Å; F114-F201 HydrophobicContact CD1-CE2 4.39Å; F114-F201 AromaticContact CD1-CG 3.65Å; F114-F201 HydrophobicContact CD1-CG 3.65Å; F114-F201 HydrophobicContact CD1-CZ 4.46Å; F114-F201 HydrophobicContact CE1-CB 4.18Å; F114-F201 HydrophobicContact CE1-CG 4.33Å; F114-F201 VanDerWaalsContact O-CE1 3.27Å; F114-F201 WeakPolarHBondContact O-CE1 3.48Å |
| 115 | I | 95.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -13.4 | -172.1 | 59 | 168.3 | 0 | 0 | 0 | 113.8 | Q94 V96 I109 D113 Y188 R189 | Q94-I115 HydrophobicContact CB-CD1 3.96Å; V96-I115 HydrophobicContact CG2-CD1 4.22Å; I109-I115 HydrophobicContact CB-CG1 4.24Å; I109-I115 HydrophobicContact CG2-CD1 3.89Å; I109-I115 HydrophobicContact CG2-CG1 3.82Å; I109-I115 VanDerWaalsContact O-CG1 3.27Å; I109-I115 WeakPolarHBondContact O-CG1 3.28Å; I109-I115 PolarHBondContact O-N 2.8Å; D113-I115 PolarHBondContact O-N 3.45Å; I115-Y188 HydrophobicContact CB-CD2 4.5Å; I115-Y188 HydrophobicContact CB-CE2 3.83Å; I115-Y188 HydrophobicContact CG2-CE2 4.39Å; I115-Y188 WeakPolarHBondContact O-CA 3.43Å; I115-Y188 WeakPolarHBondContact O-CD2 3.43Å; I115-Y188 VanDerWaalsContact O-CE2 3.24Å; I115-Y188 WeakPolarHBondContact O-CE2 3.44Å; I115-R189 PolarHBondContact O-N 3.38Å |
| 116 | G | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 160.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I109 F114 D187 | I109-G116 PolarHBondContact N-O 2.97Å; I109-G116 PolarHBondContact O-N 3.16Å; F114-G116 WeakPolarHBondContact CE2-O 3.49Å; G116-D187 VanDerWaalsContact CA-O 3.25Å; G116-D187 WeakPolarHBondContact CA-O 3.46Å |
| 117 | Q | 96.7 | Very high | 91.1 | Very high | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.159 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139 | 175.8 | -171 | -179.2 | -3.3 | 0 | 0 | 110.5 | V106 I107 F114 W185 D187 | V106-Q117 HydrophobicContact CG1-CG 3.84Å; I107-Q117 WeakPolarHBondContact O-CA 3.43Å; F114-Q117 HydrophobicContact CZ-CB 4.07Å; Q117-W185 HydrophobicContact CB-CH2 4.23Å; Q117-W185 HydrophobicContact CB-CZ3 3.94Å; Q117-W185 HydrophobicContact CG-CH2 3.91Å; Q117-W185 HydrophobicContact CG-CZ3 4Å; Q117-D187 PolarHBondContact N-O 2.91Å; Q117-D187 PolarHBondContact O-N 3.11Å |
| 118 | I | 97 | Very high | 90.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.3 | 168.5 | -60.8 | 159.3 | 0 | 0 | 0 | 106.3 | Y91 V106 I107 I109 I120 Y158 M166 I186 | Y91-I118 HydrophobicContact CE2-CD1 4.47Å; Y91-I118 HydrophobicContact CE2-CG1 4.45Å; V106-I118 WeakPolarHBondContact CA-O 3.48Å; I107-I118 HydrophobicContact CB-CB 4.1Å; I107-I118 HydrophobicContact CB-CD1 4.25Å; I107-I118 HydrophobicContact CD1-CD1 4.12Å; I107-I118 HydrophobicContact CG2-CD1 4.49Å; I107-I118 PolarHBondContact N-O 2.83Å; I107-I118 PolarHBondContact O-N 2.93Å; I109-I118 HydrophobicContact CD1-CD1 3.83Å; I109-I118 HydrophobicContact CD1-CG1 4.16Å; I118-I120 HydrophobicContact CG2-CD1 3.9Å; I118-Y158 HydrophobicContact CD1-CE1 3.85Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.34Å; I118-Y158 HydrophobicContact CG2-CD2 4.3Å; I118-Y158 HydrophobicContact CG2-CE2 3.55Å; I118-M166 HydrophobicContact CD1-SD 3.95Å; I118-I186 HydrophobicContact CB-CG2 4.25Å; I118-I186 HydrophobicContact CG1-CB 4.3Å; I118-I186 HydrophobicContact CG1-CG2 3.77Å; I118-I186 HydrophobicContact CG2-CG2 4Å |
| 119 | N | 95.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.8 | 173.7 | -160.1 | -43.7 | 0 | 0 | 0 | 109 | F121 L122 S184 W185 | N119-F121 VanDerWaalsContact OD1-C 3.31Å; N119-F121 PolarHBondContact OD1-N 3.29Å; N119-F121 PolarHBondContact OD1-O 2.75Å; N119-L122 WeakPolarHBondContact ND2-CD2 3.22Å; N119-S184 CarbonylContact O-C 3.48Å; N119-S184 WeakPolarHBondContact O-CA 3.46Å; N119-S184 PolarHBondContact O-OG 3.39Å; N119-W185 HydrophobicContact CB-CD2 3.8Å; N119-W185 VanDerWaalsContact CB-CE2 3.44Å; N119-W185 HydrophobicContact CB-CE3 4.15Å; N119-W185 HydrophobicContact CB-CG 4.4Å; N119-W185 HydrophobicContact CB-CH2 3.83Å; N119-W185 HydrophobicContact CB-CZ2 3.48Å; N119-W185 VanDerWaalsContact CB-CZ2 3.48Å; N119-W185 HydrophobicContact CB-CZ3 4.16Å; N119-W185 PolarHBondContact N-O 2.7Å; N119-W185 PolarHBondContact O-N 2.62Å |
| 120 | I | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -75.1 | -54.1 | -178.4 | -57.8 | -51.5 | 0 | 0 | 0 | 110.1 | G105 I118 F126 W143 V156 Y158 L168 F170 S184 | G105-I120 WeakPolarHBondContact O-CB 3.46Å; G105-I120 VanDerWaalsContact O-CG1 3.29Å; G105-I120 WeakPolarHBondContact O-CG1 3.25Å; G105-I120 PolarHBondContact O-N 2.76Å; I118-I120 HydrophobicContact CG2-CD1 3.9Å; I120-F126 HydrophobicContact CB-CZ 4.27Å; I120-F126 HydrophobicContact CG2-CZ 3.95Å; I120-W143 HydrophobicContact CD1-CH2 4.49Å; I120-W143 HydrophobicContact CD1-CZ3 4.17Å; I120-W143 HydrophobicContact CG1-CE3 4.27Å; I120-W143 HydrophobicContact CG1-CH2 4.07Å; I120-W143 HydrophobicContact CG1-CZ3 3.82Å; I120-V156 HydrophobicContact CG2-CB 4.16Å; I120-V156 HydrophobicContact CG2-CG1 3.6Å; I120-V156 HydrophobicContact CG2-CG2 4.09Å; I120-Y158 HydrophobicContact CD1-CD2 3.33Å; I120-Y158 HydrophobicContact CD1-CE2 3.78Å; I120-Y158 HydrophobicContact CD1-CG 4.27Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CD1-CD2 4.31Å; I120-L168 HydrophobicContact CG2-CD1 4.41Å; I120-F170 HydrophobicContact CG2-CE1 4.49Å; I120-S184 WeakPolarHBondContact O-CA 3.23Å; I120-S184 WeakPolarHBondContact O-CB 3.44Å; I120-S184 PolarHBondContact O-OG 2.95Å |
| 121 | F | 85.1 | Confident | 90.1 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | trans | -146.1 | 125 | 178 | -68.8 | -51.6 | 0 | 0 | 0 | 110.9 | N119 I124 F126 V156 F170 I173 L182 E183 I214 | N119-F121 VanDerWaalsContact OD1-C 3.31Å; N119-F121 PolarHBondContact OD1-N 3.29Å; N119-F121 PolarHBondContact OD1-O 2.75Å; F121-I124 HydrophobicContact CB-CB 3.75Å; F121-I124 HydrophobicContact CB-CD1 3.81Å; F121-I124 HydrophobicContact CB-CG1 3.69Å; F121-I124 HydrophobicContact CD1-CD1 3.89Å; F121-I124 HydrophobicContact CD2-CB 4.2Å; F121-I124 HydrophobicContact CD2-CD1 3.27Å; F121-I124 HydrophobicContact CD2-CG1 4.07Å; F121-I124 HydrophobicContact CE1-CD1 4.33Å; F121-I124 HydrophobicContact CE2-CD1 3.7Å; F121-I124 HydrophobicContact CG-CB 4.23Å; F121-I124 HydrophobicContact CG-CD1 3.37Å; F121-I124 HydrophobicContact CG-CG1 3.88Å; F121-I124 HydrophobicContact CZ-CD1 4.23Å; F121-F126 HydrophobicContact CB-CE2 4.32Å; F121-F126 HydrophobicContact CB-CZ 4.37Å; F121-F126 HydrophobicContact CD2-CE1 4.37Å; F121-F126 HydrophobicContact CD2-CE2 4.4Å; F121-F126 AromaticContact CD2-CZ 3.64Å; F121-F126 HydrophobicContact CD2-CZ 3.64Å; F121-F126 HydrophobicContact CG-CZ 4.46Å; F121-V156 HydrophobicContact CD2-CG2 4.22Å; F121-V156 HydrophobicContact CE2-CG2 3.52Å; F121-V156 HydrophobicContact CZ-CG2 4.41Å; F121-F170 HydrophobicContact CE1-CD1 4.5Å; F121-F170 AromaticContact CE1-CE1 3.88Å; F121-F170 HydrophobicContact CE1-CE1 3.88Å; F121-F170 AromaticContact CE1-CZ 3.98Å; F121-F170 HydrophobicContact CE1-CZ 3.98Å; F121-F170 HydrophobicContact CE2-CD1 4.2Å; F121-F170 HydrophobicContact CE2-CE1 4.1Å; F121-F170 AromaticContact CZ-CD1 3.6Å; F121-F170 HydrophobicContact CZ-CD1 3.6Å; F121-F170 AromaticContact CZ-CE1 3.36Å; F121-F170 HydrophobicContact CZ-CE1 3.36Å; F121-F170 HydrophobicContact CZ-CE2 4.48Å; F121-F170 HydrophobicContact CZ-CG 4.25Å; F121-F170 AromaticContact CZ-CZ 3.88Å; F121-F170 HydrophobicContact CZ-CZ 3.88Å; F121-I173 HydrophobicContact CE2-CD1 3.63Å; F121-I173 HydrophobicContact CZ-CD1 3.63Å; F121-I173 HydrophobicContact CZ-CG1 4.27Å; F121-L182 HydrophobicContact CD1-CD2 3.97Å; F121-L182 HydrophobicContact CE1-CD2 4.49Å; F121-E183 CarbonylContact C-O 3.54Å; F121-E183 WeakPolarHBondContact CA-O 3.48Å; F121-I214 HydrophobicContact CD1-CG2 4.38Å; F121-I214 HydrophobicContact CE1-CG2 3.37Å; F121-I214 HydrophobicContact CZ-CG2 3.95Å | ||
| 122 | L | 74.3 | Confident | 90 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -71.5 | 136.3 | 155.7 | -64.6 | -175.3 | 0 | 0 | 0 | 109.6 | N119 I124 E183 | N119-L122 WeakPolarHBondContact ND2-CD2 3.22Å; L122-I124 VanDerWaalsContact C-N 3.3Å; L122-I124 PolarHBondContact O-N 2.91Å; L122-E183 HydrophobicContact CB-CB 4.14Å; L122-E183 HydrophobicContact CD1-CB 3.76Å; L122-E183 HydrophobicContact CD1-CG 4.17Å; L122-E183 VanDerWaalsContact CD1-OE2 3.32Å; L122-E183 WeakPolarHBondContact CD1-OE2 3.24Å; L122-E183 HydrophobicContact CG-CB 3.93Å; L122-E183 PolarHBondContact N-O 3.44Å |
| 123 | K | 72.8 | Confident | 90.2 | Very high | 161 Ų | 161 | 32 Ų | 32 | 70% | 0.7 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 70.7 | 3.2 | 171.7 | -51.6 | 178.8 | -178.1 | -175.8 | 0 | 117.4 | N181 | K123-N181 HydrophobicContact CD-CB 4.01Å; K123-N181 PolarHBondContact NZ-ND2 3.3Å |
| 124 | I | 77.4 | Confident | 90.3 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | trans | -85 | 131.3 | 165 | -60.6 | -169.7 | 0 | 0 | 0 | 109.9 | F121 L122 F126 V145 I177 L182 | F121-I124 HydrophobicContact CB-CB 3.75Å; F121-I124 HydrophobicContact CB-CD1 3.81Å; F121-I124 HydrophobicContact CB-CG1 3.69Å; F121-I124 HydrophobicContact CD1-CD1 3.89Å; F121-I124 HydrophobicContact CD2-CB 4.2Å; F121-I124 HydrophobicContact CD2-CD1 3.27Å; F121-I124 HydrophobicContact CD2-CG1 4.07Å; F121-I124 HydrophobicContact CE1-CD1 4.33Å; F121-I124 HydrophobicContact CE2-CD1 3.7Å; F121-I124 HydrophobicContact CG-CB 4.23Å; F121-I124 HydrophobicContact CG-CD1 3.37Å; F121-I124 HydrophobicContact CG-CG1 3.88Å; F121-I124 HydrophobicContact CZ-CD1 4.23Å; L122-I124 VanDerWaalsContact C-N 3.3Å; L122-I124 PolarHBondContact O-N 2.91Å; I124-F126 PolarHBondContact O-N 2.83Å; I124-V145 HydrophobicContact CG2-CG1 3.79Å; I124-V145 HydrophobicContact CG2-CG2 4.1Å; I124-I177 HydrophobicContact CD1-CD1 3.77Å; I124-I177 HydrophobicContact CD1-CG2 4.03Å; I124-I177 HydrophobicContact CG1-CD1 4.08Å; I124-I177 HydrophobicContact CG1-CG2 3.97Å; I124-L182 HydrophobicContact CD1-CD2 3.72Å; I124-L182 HydrophobicContact CG1-CD2 3.88Å | ||
| 125 | A | 83.2 | Confident | 90.2 | Very high | 45 Ų | 45 | 30.9 Ų | 30.9 | 37% | 0.372 | 16% | 0.155 | S | C | . | . | trans | -84.1 | 109 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K146 | A125-K146 HydrophobicContact CB-CB 4.45Å; A125-K146 HydrophobicContact CB-CD 4.12Å; A125-K146 HydrophobicContact CB-CG 4.5Å; A125-K146 WeakPolarHBondContact O-CB 3.38Å; A125-K146 PolarHBondContact O-N 2.85Å | ||
| 126 | F | 88.7 | Confident | 90.1 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 154.2 | 170.9 | -67.5 | -76.5 | 0 | 0 | 0 | 111.8 | N103 S104 I120 F121 I124 W143 Y144 V145 K146 V156 | N103-F126 WeakPolarHBondContact O-CB 3.34Å; S104-F126 VanDerWaalsContact C-CD2 3.46Å; S104-F126 WeakPolarHBondContact O-CD2 3.41Å; I120-F126 HydrophobicContact CB-CZ 4.27Å; I120-F126 HydrophobicContact CG2-CZ 3.95Å; F121-F126 HydrophobicContact CB-CE2 4.32Å; F121-F126 HydrophobicContact CB-CZ 4.37Å; F121-F126 HydrophobicContact CD2-CE1 4.37Å; F121-F126 HydrophobicContact CD2-CE2 4.4Å; F121-F126 AromaticContact CD2-CZ 3.64Å; F121-F126 HydrophobicContact CD2-CZ 3.64Å; F121-F126 HydrophobicContact CG-CZ 4.46Å; I124-F126 PolarHBondContact O-N 2.83Å; F126-W143 HydrophobicContact CD1-CB 3.45Å; F126-W143 VanDerWaalsContact CD1-CB 3.45Å; F126-W143 HydrophobicContact CD1-CG 4.23Å; F126-W143 HydrophobicContact CE1-CB 3.63Å; F126-W143 HydrophobicContact CE1-CG 4.38Å; F126-W143 HydrophobicContact CG-CB 4.17Å; F126-W143 HydrophobicContact CZ-CB 4.48Å; F126-Y144 CarbonylContact C-O 3.57Å; F126-Y144 VanDerWaalsContact CA-O 3.31Å; F126-Y144 WeakPolarHBondContact CA-O 3.34Å; F126-V145 HydrophobicContact CD1-CG2 4.42Å; F126-V145 HydrophobicContact CE1-CG2 4.27Å; F126-K146 WeakPolarHBondContact O-CE 3.3Å; F126-K146 WeakPolarHBondContact O-CG 3.25Å; F126-V156 HydrophobicContact CE1-CG2 4.09Å; F126-V156 HydrophobicContact CZ-CG2 4.45Å |
| 127 | E | 89.4 | Confident | 90 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 157.3 | 170.2 | -69.1 | -170.3 | -164.7 | 0 | 0 | 111.3 | N129 Y144 K146 | E127-N129 PolarHBondContact O-N 2.96Å; E127-N129 PolarHBondContact OE2-ND2 2.82Å; E127-Y144 PolarHBondContact N-O 2.87Å; E127-K146 HydrophobicContact CG-CG 4.14Å |
| 128 | E | 90.5 | Very high | 89.9 | Confident | 109 Ų | 109 | 40.6 Ų | 40.6 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -23.5 | 176.1 | -66.2 | -179.8 | -176.5 | 0 | 0 | 112.6 | ||
| 129 | N | 91.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 147.4 | 178.7 | 75.8 | 69.4 | 0 | 0 | 0 | 111.2 | K75 K76 E127 | K75-N129 VanDerWaalsContact CE-CB 3.47Å; K75-N129 WeakPolarHBondContact CE-OD1 3.46Å; K75-N129 HydrophobicContact CG-CB 4.36Å; K75-N129 PolarHBondContact NZ-ND2 3.36Å; K76-N129 WeakPolarHBondContact O-CA 3.24Å; K76-N129 WeakPolarHBondContact O-CB 3.5Å; E127-N129 PolarHBondContact O-N 2.96Å; E127-N129 PolarHBondContact OE2-ND2 2.82Å |
| 130 | F | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.8 | 172.9 | 58.9 | -86.3 | 0 | 0 | 0 | 108.6 | K76 S78 Q81 I101 N103 T132 V141 K142 W143 | K76-F130 HydrophobicContact CB-CD2 4.41Å; K76-F130 HydrophobicContact CB-CE1 4.37Å; K76-F130 HydrophobicContact CB-CE2 4.12Å; K76-F130 HydrophobicContact CB-CZ 4.11Å; K76-F130 HydrophobicContact CG-CE2 4.31Å; K76-F130 PolarHBondContact N-O 2.94Å; K76-F130 PolarHBondContact O-N 3.44Å; S78-F130 WeakPolarHBondContact O-CE1 3.46Å; Q81-F130 HydrophobicContact CB-CE2 4.01Å; Q81-F130 HydrophobicContact CB-CZ 3.72Å; I101-F130 HydrophobicContact CB-CE2 4Å; I101-F130 HydrophobicContact CB-CZ 4.27Å; I101-F130 HydrophobicContact CG2-CD2 4.03Å; I101-F130 HydrophobicContact CG2-CE2 3.46Å; I101-F130 VanDerWaalsContact CG2-CE2 3.46Å; I101-F130 HydrophobicContact CG2-CZ 3.96Å; N103-F130 HydrophobicContact CB-CD1 3.92Å; N103-F130 HydrophobicContact CB-CE1 3.9Å; F130-T132 HydrophobicContact CD2-CG2 3.61Å; F130-T132 HydrophobicContact CE2-CG2 3.45Å; F130-T132 VanDerWaalsContact CE2-CG2 3.45Å; F130-V141 HydrophobicContact CD2-CG1 4.03Å; F130-K142 CarbonylContact C-O 3.49Å; F130-K142 WeakPolarHBondContact CA-O 3.47Å; F130-K142 WeakPolarHBondContact CB-O 3.39Å; F130-W143 HydrophobicContact CB-CG 4.23Å |
| 131 | N | 94.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.4 | 178.4 | -63.6 | -10.9 | 0 | 0 | 0 | 110.5 | F73 F74 K75 V141 K142 Y144 | F73-N131 HydrophobicContact CB-CB 4.09Å; F73-N131 HydrophobicContact CD1-CB 3.78Å; F73-N131 HydrophobicContact CG-CB 4.37Å; F74-N131 WeakPolarHBondContact O-CA 3.42Å; K75-N131 WeakPolarHBondContact CA-OD1 2.98Å; N131-V141 CarbonylContact O-C 3.49Å; N131-V141 WeakPolarHBondContact O-CA 3.49Å; N131-K142 HydrophobicContact CB-CB 4.3Å; N131-K142 PolarHBondContact N-O 2.9Å; N131-K142 PolarHBondContact O-N 3Å; N131-Y144 PolarHBondContact ND2-OH 3.35Å |
| 132 | T | 95.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | F74 K76 I83 F130 A140 V141 | F74-T132 PolarHBondContact N-O 3.02Å; F74-T132 PolarHBondContact O-N 2.89Å; K76-T132 WeakPolarHBondContact CE-OG1 3.24Å; K76-T132 HydrophobicContact CG-CG2 4.22Å; I83-T132 HydrophobicContact CD1-CG2 4.19Å; F130-T132 HydrophobicContact CD2-CG2 3.61Å; F130-T132 HydrophobicContact CE2-CG2 3.45Å; F130-T132 VanDerWaalsContact CE2-CG2 3.45Å; T132-A140 CarbonylContact C-O 3.58Å; T132-A140 VanDerWaalsContact CA-O 3.24Å; T132-A140 WeakPolarHBondContact CA-O 3.43Å; T132-V141 HydrophobicContact CG2-CG1 4.4Å; T132-V141 HydrophobicContact CG2-CG2 4.46Å |
| 133 | A | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | F73 F138 I139 A140 | F73-A133 HydrophobicContact CD1-CB 4.39Å; F73-A133 HydrophobicContact CE1-CB 4.48Å; A133-F138 HydrophobicContact CB-CE2 4.13Å; A133-I139 CarbonylContact O-C 3.57Å; A133-I139 WeakPolarHBondContact O-CA 3.41Å; A133-A140 HydrophobicContact CB-CB 4.13Å; A133-A140 PolarHBondContact N-O 3.29Å; A133-A140 PolarHBondContact O-N 3.27Å |
| 134 | N | 95.1 | Very high | 92.5 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.193 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 87.2 | 176.8 | 178 | 24.5 | 0 | 0 | 0 | 106.8 | I83 T84 K86 I139 | I83-N134 HydrophobicContact CG2-CB 3.95Å; T84-N134 PolarHBondContact O-ND2 3.17Å; K86-N134 VanDerWaalsContact CD-O 3.24Å; K86-N134 WeakPolarHBondContact CD-O 2.85Å; K86-N134 WeakPolarHBondContact CE-O 3.22Å; K86-N134 PolarHBondContact NZ-O 3Å; N134-I139 WeakPolarHBondContact OD1-CG1 3.34Å |
| 135 | E | 94.3 | Very high | 93 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | trans | -101.5 | 176.9 | -178.2 | -55 | -50.6 | 153.1 | 0 | 0 | 111 | K86 F87 E137 F138 | K86-E135 IonicContact NZ-OE2 3.63Å; F87-E135 WeakPolarHBondContact CE1-O 3.36Å; E135-E137 VanDerWaalsContact C-N 3.27Å; E135-F138 CarbonylContact C-O 3.59Å; E135-F138 WeakPolarHBondContact CA-O 3.43Å; E135-F138 HydrophobicContact CB-CE1 4.31Å; E135-F138 HydrophobicContact CB-CZ 4.31Å; E135-F138 HydrophobicContact CG-CE1 4.28Å; E135-F138 HydrophobicContact CG-CE2 4.09Å; E135-F138 HydrophobicContact CG-CZ 3.83Å; E135-F138 PolarHBondContact N-O 2.86Å | ||
| 136 | N | 93.8 | Very high | 93 | Very high | 102 Ų | 102 | 36.5 Ų | 36.5 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -73.1 | -26.5 | 178.2 | -65.6 | -32.7 | 0 | 0 | 0 | 111.6 | F87 | F87-N136 VanDerWaalsContact CD1-O 3.24Å; F87-N136 WeakPolarHBondContact CD1-O 3.32Å |
| 137 | E | 93.4 | Very high | 92.1 | Very high | 122 Ų | 122 | 42.2 Ų | 42.2 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -97.5 | -20.6 | -174.2 | -59.5 | 83.3 | 173.7 | 0 | 0 | 113 | E135 P162 | E135-E137 VanDerWaalsContact C-N 3.27Å; E137-P162 WeakPolarHBondContact O-CD 3.39Å |
| 138 | F | 95.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -165.8 | 161.2 | 179.5 | 61.7 | -91 | 0 | 0 | 0 | 112.7 | V69 S70 A133 E135 A140 L159 I160 Y161 | V69-F138 HydrophobicContact CG1-CD2 4.25Å; V69-F138 HydrophobicContact CG1-CE1 4.28Å; V69-F138 HydrophobicContact CG1-CE2 3.46Å; V69-F138 VanDerWaalsContact CG1-CE2 3.46Å; V69-F138 HydrophobicContact CG1-CZ 3.49Å; V69-F138 VanDerWaalsContact CG1-CZ 3.49Å; S70-F138 WeakPolarHBondContact O-CZ 3.23Å; A133-F138 HydrophobicContact CB-CE2 4.13Å; E135-F138 CarbonylContact C-O 3.59Å; E135-F138 WeakPolarHBondContact CA-O 3.43Å; E135-F138 HydrophobicContact CB-CE1 4.31Å; E135-F138 HydrophobicContact CB-CZ 4.31Å; E135-F138 HydrophobicContact CG-CE1 4.28Å; E135-F138 HydrophobicContact CG-CE2 4.09Å; E135-F138 HydrophobicContact CG-CZ 3.83Å; E135-F138 PolarHBondContact N-O 2.86Å; F138-A140 HydrophobicContact CD2-CB 3.88Å; F138-A140 HydrophobicContact CE2-CB 3.87Å; F138-L159 HydrophobicContact CD2-CD2 4.21Å; F138-I160 CarbonylContact C-O 3.53Å; F138-I160 VanDerWaalsContact CA-O 3.22Å; F138-I160 WeakPolarHBondContact CA-O 3.38Å; F138-Y161 HydrophobicContact CB-CD1 4.02Å; F138-Y161 HydrophobicContact CB-CE1 4.12Å | ||
| 139 | I | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.7 | 159 | -62.9 | 167.1 | 0 | 0 | 0 | 107.1 | I83 P85 F87 L99 A133 N134 L159 I160 | I83-I139 HydrophobicContact CD1-CG2 4.21Å; I83-I139 HydrophobicContact CG2-CD1 4.16Å; I83-I139 HydrophobicContact CG2-CG2 4.46Å; P85-I139 HydrophobicContact CB-CD1 3.9Å; P85-I139 HydrophobicContact CG-CD1 3.94Å; F87-I139 HydrophobicContact CE1-CD1 4.42Å; F87-I139 HydrophobicContact CE1-CG1 4.02Å; F87-I139 HydrophobicContact CZ-CD1 4Å; F87-I139 HydrophobicContact CZ-CG1 3.89Å; L99-I139 HydrophobicContact CD1-CD1 3.68Å; L99-I139 HydrophobicContact CD1-CG2 4.37Å; A133-I139 CarbonylContact O-C 3.57Å; A133-I139 WeakPolarHBondContact O-CA 3.41Å; N134-I139 WeakPolarHBondContact OD1-CG1 3.34Å; I139-L159 CarbonylContact O-C 3.57Å; I139-L159 WeakPolarHBondContact O-CA 3.23Å; I139-I160 HydrophobicContact CB-CB 4.32Å; I139-I160 PolarHBondContact N-O 3.17Å; I139-I160 PolarHBondContact O-N 2.93Å |
| 140 | A | 96.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V69 F73 T132 A133 F138 L157 Y158 L159 | V69-A140 HydrophobicContact CG1-CB 4.46Å; F73-A140 HydrophobicContact CE1-CB 3.54Å; F73-A140 HydrophobicContact CZ-CB 3.58Å; T132-A140 CarbonylContact C-O 3.58Å; T132-A140 VanDerWaalsContact CA-O 3.24Å; T132-A140 WeakPolarHBondContact CA-O 3.43Å; A133-A140 HydrophobicContact CB-CB 4.13Å; A133-A140 PolarHBondContact N-O 3.29Å; A133-A140 PolarHBondContact O-N 3.27Å; F138-A140 HydrophobicContact CD2-CB 3.88Å; F138-A140 HydrophobicContact CE2-CB 3.87Å; A140-L157 HydrophobicContact CB-CD1 4.35Å; A140-Y158 CarbonylContact C-O 3.53Å; A140-Y158 WeakPolarHBondContact CA-O 3.25Å; A140-L159 HydrophobicContact CB-CD2 3.44Å; A140-L159 VanDerWaalsContact CB-CD2 3.44Å |
| 141 | V | 96 | Very high | 86 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.6 | 170.5 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | I101 F130 N131 T132 W143 L157 Y158 | I101-V141 HydrophobicContact CD1-CG2 3.95Å; I101-V141 HydrophobicContact CG1-CG2 4.14Å; I101-V141 HydrophobicContact CG2-CB 4.45Å; I101-V141 HydrophobicContact CG2-CG1 3.56Å; I101-V141 HydrophobicContact CG2-CG2 4.07Å; F130-V141 HydrophobicContact CD2-CG1 4.03Å; N131-V141 CarbonylContact O-C 3.49Å; N131-V141 WeakPolarHBondContact O-CA 3.49Å; T132-V141 HydrophobicContact CG2-CG1 4.4Å; T132-V141 HydrophobicContact CG2-CG2 4.46Å; V141-W143 HydrophobicContact CB-CE3 4.29Å; V141-W143 HydrophobicContact CB-CH2 3.75Å; V141-W143 HydrophobicContact CB-CZ2 4.24Å; V141-W143 HydrophobicContact CB-CZ3 3.76Å; V141-W143 HydrophobicContact CG1-CD2 3.76Å; V141-W143 HydrophobicContact CG1-CE3 3.76Å; V141-W143 HydrophobicContact CG1-CH2 3.42Å; V141-W143 VanDerWaalsContact CG1-CH2 3.42Å; V141-W143 HydrophobicContact CG1-CZ2 3.41Å; V141-W143 VanDerWaalsContact CG1-CZ2 3.41Å; V141-W143 HydrophobicContact CG1-CZ3 3.57Å; V141-W143 HydrophobicContact CG2-CH2 4.42Å; V141-L157 CarbonylContact O-C 3.56Å; V141-L157 WeakPolarHBondContact O-CA 3.45Å; V141-Y158 PolarHBondContact N-O 2.9Å; V141-Y158 PolarHBondContact O-N 2.92Å |
| 142 | K | 95.3 | Very high | 84.6 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.2 | 176.2 | -169.2 | 173 | -177.7 | 168.6 | 0 | 110.4 | F73 F130 N131 Y144 S155 V156 L157 | F73-K142 HydrophobicContact CE1-CB 4.41Å; F130-K142 CarbonylContact C-O 3.49Å; F130-K142 WeakPolarHBondContact CA-O 3.47Å; F130-K142 WeakPolarHBondContact CB-O 3.39Å; N131-K142 HydrophobicContact CB-CB 4.3Å; N131-K142 PolarHBondContact N-O 2.9Å; N131-K142 PolarHBondContact O-N 3Å; K142-Y144 HydrophobicContact CD-CE1 4.35Å; K142-S155 WeakPolarHBondContact CE-OG 3.42Å; K142-S155 PolarHBondContact NZ-OG 2.86Å; K142-V156 CarbonylContact C-O 3.59Å; K142-V156 VanDerWaalsContact CA-O 3.24Å; K142-V156 WeakPolarHBondContact CA-O 3.41Å; K142-L157 HydrophobicContact CB-CD1 4.19Å |
| 143 | W | 93.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 154 | 172.1 | -63.6 | -93.2 | 0 | 0 | 0 | 111 | I101 L102 I107 I120 F126 F130 V141 S155 V156 | I101-W143 HydrophobicContact CG2-CH2 4.45Å; I101-W143 HydrophobicContact CG2-CZ2 3.65Å; L102-W143 PolarHBondContact O-NE1 2.81Å; I107-W143 HydrophobicContact CD1-CH2 3.87Å; I107-W143 HydrophobicContact CG1-CH2 3.72Å; I107-W143 HydrophobicContact CG1-CZ2 4.12Å; I120-W143 HydrophobicContact CD1-CH2 4.49Å; I120-W143 HydrophobicContact CD1-CZ3 4.17Å; I120-W143 HydrophobicContact CG1-CE3 4.27Å; I120-W143 HydrophobicContact CG1-CH2 4.07Å; I120-W143 HydrophobicContact CG1-CZ3 3.82Å; F126-W143 HydrophobicContact CD1-CB 3.45Å; F126-W143 VanDerWaalsContact CD1-CB 3.45Å; F126-W143 HydrophobicContact CD1-CG 4.23Å; F126-W143 HydrophobicContact CE1-CB 3.63Å; F126-W143 HydrophobicContact CE1-CG 4.38Å; F126-W143 HydrophobicContact CG-CB 4.17Å; F126-W143 HydrophobicContact CZ-CB 4.48Å; F130-W143 HydrophobicContact CB-CG 4.23Å; V141-W143 HydrophobicContact CB-CE3 4.29Å; V141-W143 HydrophobicContact CB-CH2 3.75Å; V141-W143 HydrophobicContact CB-CZ2 4.24Å; V141-W143 HydrophobicContact CB-CZ3 3.76Å; V141-W143 HydrophobicContact CG1-CD2 3.76Å; V141-W143 HydrophobicContact CG1-CE3 3.76Å; V141-W143 HydrophobicContact CG1-CH2 3.42Å; V141-W143 VanDerWaalsContact CG1-CH2 3.42Å; V141-W143 HydrophobicContact CG1-CZ2 3.41Å; V141-W143 VanDerWaalsContact CG1-CZ2 3.41Å; V141-W143 HydrophobicContact CG1-CZ3 3.57Å; V141-W143 HydrophobicContact CG2-CH2 4.42Å; W143-S155 CarbonylContact O-C 3.39Å; W143-S155 WeakPolarHBondContact O-CA 3.27Å; W143-S155 VanDerWaalsContact O-CB 3.26Å; W143-S155 WeakPolarHBondContact O-CB 3.34Å; W143-V156 PolarHBondContact N-O 2.58Å; W143-V156 PolarHBondContact O-N 2.67Å |
| 144 | Y | 91.7 | Very high | 83.4 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.4 | 177.5 | -59.6 | -83.7 | 0 | 0 | 0 | 109.7 | F126 E127 N131 K142 G154 | F126-Y144 CarbonylContact C-O 3.57Å; F126-Y144 VanDerWaalsContact CA-O 3.31Å; F126-Y144 WeakPolarHBondContact CA-O 3.34Å; E127-Y144 PolarHBondContact N-O 2.87Å; N131-Y144 PolarHBondContact ND2-OH 3.35Å; K142-Y144 HydrophobicContact CD-CE1 4.35Å; Y144-G154 CarbonylContact C-O 3.58Å; Y144-G154 WeakPolarHBondContact CA-O 3.47Å |
| 145 | V | 87.8 | Confident | 83.3 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.6 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | I124 F126 Q147 G154 | I124-V145 HydrophobicContact CG2-CG1 3.79Å; I124-V145 HydrophobicContact CG2-CG2 4.1Å; F126-V145 HydrophobicContact CD1-CG2 4.42Å; F126-V145 HydrophobicContact CE1-CG2 4.27Å; V145-Q147 PolarHBondContact O-N 2.85Å; V145-G154 PolarHBondContact N-O 2.87Å |
| 146 | K | 82.8 | Confident | 83.2 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | trans | -61.9 | 119 | 179.7 | -75.5 | -173.4 | 173.8 | 176.9 | 0 | 111.4 | A125 F126 E127 Y148 S149 | A125-K146 HydrophobicContact CB-CB 4.45Å; A125-K146 HydrophobicContact CB-CD 4.12Å; A125-K146 HydrophobicContact CB-CG 4.5Å; A125-K146 WeakPolarHBondContact O-CB 3.38Å; A125-K146 PolarHBondContact O-N 2.85Å; F126-K146 WeakPolarHBondContact O-CE 3.3Å; F126-K146 WeakPolarHBondContact O-CG 3.25Å; E127-K146 HydrophobicContact CG-CG 4.14Å; K146-Y148 VanDerWaalsContact C-N 3.35Å; K146-Y148 PolarHBondContact O-N 2.99Å; K146-S149 PolarHBondContact O-N 3.35Å; K146-S149 PolarHBondContact O-OG 2.86Å | ||
| 147 | Q | 69.4 | Low | 83.3 | Confident | 133 Ų | 133 | 49.1 Ų | 49.1 | 62% | 0.621 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -60.7 | -32.6 | -175.2 | -65.5 | -176.5 | 7.2 | 0 | 0 | 115 | V145 S149 H150 | V145-Q147 PolarHBondContact O-N 2.85Å; Q147-S149 PolarHBondContact O-N 2.8Å; Q147-S149 VanDerWaalsContact O-N 3.15Å; Q147-H150 CarbonylContact O-C 3.6Å; Q147-H150 PolarHBondContact O-N 2.78Å |
| 148 | Y | 63.1 | Low | 83.5 | Confident | 242 Ų | 242 | 43.4 Ų | 43.4 | 95% | 0.949 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -66.4 | -17.7 | -178.9 | -67.9 | -73.8 | 0 | 0 | 0 | 113.9 | K146 | K146-Y148 VanDerWaalsContact C-N 3.35Å; K146-Y148 PolarHBondContact O-N 2.99Å |
| 149 | S | 57 | Low | 83.6 | Confident | 52 Ų | 52 | 42.4 Ų | 42.4 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -82.1 | -29.3 | 179.6 | -30.6 | 0 | 0 | 0 | 0 | 110.8 | K146 Q147 | K146-S149 PolarHBondContact O-N 3.35Å; K146-S149 PolarHBondContact O-OG 2.86Å; Q147-S149 PolarHBondContact O-N 2.8Å; Q147-S149 VanDerWaalsContact O-N 3.15Å |
| 150 | H | 58.6 | Low | 83.6 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -156.9 | 128.1 | -174.4 | -48.8 | 91.3 | 0 | 0 | 0 | 111.8 | Q147 G152 P174 E176 I177 | Q147-H150 CarbonylContact O-C 3.6Å; Q147-H150 PolarHBondContact O-N 2.78Å; H150-G152 PolarHBondContact O-N 2.8Å; H150-P174 HydrophobicContact CB-CB 3.27Å; H150-P174 HydrophobicContact CB-CG 3.28Å; H150-E176 IonicContact CD2-OE2 3.38Å; H150-E176 PolarHBondContact CD2-OE2 2.87Å; H150-I177 WeakPolarHBondContact CE1-CD1 3.24Å; H150-I177 WeakPolarHBondContact CE1-CG1 3.49Å; H150-I177 WeakPolarHBondContact ND1-CD1 3.36Å; H150-I177 WeakPolarHBondContact NE2-CG1 2.92Å |
| 151 | S | 59.1 | Low | 83.6 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 74% | 0.741 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 124.6 | 179.4 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 152 | G | 66.3 | Low | 83.6 | Confident | 66 Ų | 66 | 48 Ų | 48 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.4 | -11.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H150 N172 | H150-G152 PolarHBondContact O-N 2.8Å; G152-N172 PolarHBondContact O-ND2 3.43Å |
| 153 | G | 78.1 | Confident | 83.6 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | trans | 60.4 | -172.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N172 | G153-N172 PolarHBondContact O-ND2 3.26Š| ||
| 154 | G | 87.6 | Confident | 83.6 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 162.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y144 V145 D171 N172 | Y144-G154 CarbonylContact C-O 3.58Å; Y144-G154 WeakPolarHBondContact CA-O 3.47Å; V145-G154 PolarHBondContact N-O 2.87Å; G154-D171 CarbonylContact C-O 3.59Å; G154-D171 WeakPolarHBondContact CA-O 3.34Å; G154-N172 WeakPolarHBondContact CA-O 3.48Å |
| 155 | S | 91.6 | Very high | 83.9 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 156.3 | 170.8 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | K142 W143 D171 | K142-S155 WeakPolarHBondContact CE-OG 3.42Å; K142-S155 PolarHBondContact NZ-OG 2.86Å; W143-S155 CarbonylContact O-C 3.39Å; W143-S155 WeakPolarHBondContact O-CA 3.27Å; W143-S155 VanDerWaalsContact O-CB 3.26Å; W143-S155 WeakPolarHBondContact O-CB 3.34Å; S155-D171 PolarHBondContact N-O 2.01Å; S155-D171 CarbonylContact O-C 3.51Å; S155-D171 WeakPolarHBondContact O-CA 3.31Å; S155-D171 WeakPolarHBondContact O-CB 3.38Å; S155-D171 PolarHBondContact O-N 2.86Å; S155-D171 WeakPolarHBondContact OG-CB 3.23Å; S155-D171 PolarHBondContact OG-OD2 2.65Å |
| 156 | V | 93.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.3 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | I120 F121 F126 K142 W143 L168 Y169 F170 I173 | I120-V156 HydrophobicContact CG2-CB 4.16Å; I120-V156 HydrophobicContact CG2-CG1 3.6Å; I120-V156 HydrophobicContact CG2-CG2 4.09Å; F121-V156 HydrophobicContact CD2-CG2 4.22Å; F121-V156 HydrophobicContact CE2-CG2 3.52Å; F121-V156 HydrophobicContact CZ-CG2 4.41Å; F126-V156 HydrophobicContact CE1-CG2 4.09Å; F126-V156 HydrophobicContact CZ-CG2 4.45Å; K142-V156 CarbonylContact C-O 3.59Å; K142-V156 VanDerWaalsContact CA-O 3.24Å; K142-V156 WeakPolarHBondContact CA-O 3.41Å; W143-V156 PolarHBondContact N-O 2.58Å; W143-V156 PolarHBondContact O-N 2.67Å; V156-L168 HydrophobicContact CG1-CD1 3.13Å; V156-Y169 WeakPolarHBondContact CA-O 3.2Å; V156-F170 HydrophobicContact CG1-CD1 4.02Å; V156-F170 HydrophobicContact CG1-CE1 4.26Å; V156-F170 HydrophobicContact CG2-CD1 4.18Å; V156-I173 HydrophobicContact CG2-CD1 4.34Å |
| 157 | L | 95.7 | Very high | 85 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.3 | 176.5 | 174.1 | 63.9 | 0 | 0 | 0 | 109.4 | P67 V69 F73 A140 V141 K142 L159 L168 Y169 | P67-L157 HydrophobicContact CG-CD2 3.76Å; V69-L157 HydrophobicContact CG2-CD2 3.91Å; F73-L157 HydrophobicContact CE1-CD1 4.27Å; F73-L157 HydrophobicContact CZ-CD1 4.19Å; A140-L157 HydrophobicContact CB-CD1 4.35Å; V141-L157 CarbonylContact O-C 3.56Å; V141-L157 WeakPolarHBondContact O-CA 3.45Å; K142-L157 HydrophobicContact CB-CD1 4.19Å; L157-L159 HydrophobicContact CD1-CD2 4.2Å; L157-L159 HydrophobicContact CD1-CG 4.43Å; L157-L159 HydrophobicContact CD2-CD1 4.36Å; L157-L159 HydrophobicContact CG-CD1 4.49Å; L157-L159 HydrophobicContact CG-CD2 4.48Å; L157-L159 HydrophobicContact CG-CG 4.23Å; L157-L168 CarbonylContact O-C 3.53Å; L157-L168 WeakPolarHBondContact O-CA 3.44Å; L157-Y169 PolarHBondContact N-O 3.44Å; L157-Y169 PolarHBondContact O-N 3.24Å |
| 158 | Y | 97 | Very high | 86.4 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.6 | 173.6 | -156.2 | -79.3 | 0 | 0 | 0 | 109.7 | I107 I118 I120 A140 V141 I160 M166 S167 L168 | I107-Y158 HydrophobicContact CD1-CD1 4.01Å; I107-Y158 HydrophobicContact CD1-CE1 4.36Å; I107-Y158 HydrophobicContact CD1-CG 4.31Å; I118-Y158 HydrophobicContact CD1-CE1 3.85Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.34Å; I118-Y158 HydrophobicContact CG2-CD2 4.3Å; I118-Y158 HydrophobicContact CG2-CE2 3.55Å; I120-Y158 HydrophobicContact CD1-CD2 3.33Å; I120-Y158 HydrophobicContact CD1-CE2 3.78Å; I120-Y158 HydrophobicContact CD1-CG 4.27Å; A140-Y158 CarbonylContact C-O 3.53Å; A140-Y158 WeakPolarHBondContact CA-O 3.25Å; V141-Y158 PolarHBondContact N-O 2.9Å; V141-Y158 PolarHBondContact O-N 2.92Å; Y158-I160 HydrophobicContact CD1-CD1 4.4Å; Y158-I160 HydrophobicContact CD1-CG1 3.87Å; Y158-I160 HydrophobicContact CE1-CD1 4.31Å; Y158-I160 HydrophobicContact CE1-CG1 3.78Å; Y158-M166 HydrophobicContact CE1-CB 3.84Å; Y158-M166 HydrophobicContact CE1-CG 4.19Å; Y158-M166 HydrophobicContact CE1-SD 4.34Å; Y158-S167 CarbonylContact C-O 3.56Å; Y158-S167 VanDerWaalsContact CA-O 3.3Å; Y158-S167 WeakPolarHBondContact CA-O 3.34Å; Y158-L168 HydrophobicContact CD2-CB 3.88Å; Y158-L168 HydrophobicContact CD2-CD1 3.96Å; Y158-L168 HydrophobicContact CD2-CD2 4.43Å; Y158-L168 HydrophobicContact CD2-CG 4.32Å; Y158-L168 HydrophobicContact CE2-CB 3.97Å; Y158-L168 HydrophobicContact CE2-CD2 4.34Å |
| 159 | L | 97.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.8 | 180 | -60.8 | 163.3 | 0 | 0 | 0 | 109.4 | P67 V69 F138 I139 A140 L157 Y161 M166 S167 | P67-L159 HydrophobicContact CB-CD1 4.34Å; P67-L159 HydrophobicContact CG-CD1 4.13Å; V69-L159 HydrophobicContact CG1-CD2 4.15Å; V69-L159 HydrophobicContact CG2-CD1 3.77Å; V69-L159 HydrophobicContact CG2-CD2 3.84Å; V69-L159 HydrophobicContact CG2-CG 4.42Å; F138-L159 HydrophobicContact CD2-CD2 4.21Å; I139-L159 CarbonylContact O-C 3.57Å; I139-L159 WeakPolarHBondContact O-CA 3.23Å; A140-L159 HydrophobicContact CB-CD2 3.44Å; A140-L159 VanDerWaalsContact CB-CD2 3.44Å; L157-L159 HydrophobicContact CD1-CD2 4.2Å; L157-L159 HydrophobicContact CD1-CG 4.43Å; L157-L159 HydrophobicContact CD2-CD1 4.36Å; L157-L159 HydrophobicContact CG-CD1 4.49Å; L157-L159 HydrophobicContact CG-CD2 4.48Å; L157-L159 HydrophobicContact CG-CG 4.23Å; L159-Y161 HydrophobicContact CB-CE2 3.9Å; L159-Y161 WeakPolarHBondContact CD1-OH 3.11Å; L159-M166 CarbonylContact O-C 3.55Å; L159-M166 VanDerWaalsContact O-CA 3.23Å; L159-M166 WeakPolarHBondContact O-CA 3.5Å; L159-S167 WeakPolarHBondContact CB-OG 2.94Å; L159-S167 PolarHBondContact N-O 3.39Å; L159-S167 PolarHBondContact O-N 2.86Å |
| 160 | I | 97.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127 | 176.3 | -55.8 | 171.6 | 0 | 0 | 0 | 107.7 | L89 L99 I107 F138 I139 Y158 M166 | L89-I160 HydrophobicContact CD1-CG2 3.68Å; L89-I160 HydrophobicContact CD2-CG2 3.77Å; L89-I160 HydrophobicContact CG-CG2 4.41Å; L99-I160 HydrophobicContact CD1-CD1 3.68Å; I107-I160 HydrophobicContact CD1-CD1 4.42Å; F138-I160 CarbonylContact C-O 3.53Å; F138-I160 VanDerWaalsContact CA-O 3.22Å; F138-I160 WeakPolarHBondContact CA-O 3.38Å; I139-I160 HydrophobicContact CB-CB 4.32Å; I139-I160 PolarHBondContact N-O 3.17Å; I139-I160 PolarHBondContact O-N 2.93Å; Y158-I160 HydrophobicContact CD1-CD1 4.4Å; Y158-I160 HydrophobicContact CD1-CG1 3.87Å; Y158-I160 HydrophobicContact CE1-CD1 4.31Å; Y158-I160 HydrophobicContact CE1-CG1 3.78Å; I160-M166 HydrophobicContact CG1-CG 4.21Å; I160-M166 HydrophobicContact CG2-CG 4.31Å |
| 161 | Y | 96.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 26% | 0.263 | 17% | 0.168 | S | C | . | . | trans | -107.9 | 157.5 | -175.8 | -60.8 | -82.4 | 0 | 0 | 0 | 112 | F138 L159 N163 G164 K165 | F138-Y161 HydrophobicContact CB-CD1 4.02Å; F138-Y161 HydrophobicContact CB-CE1 4.12Å; L159-Y161 HydrophobicContact CB-CE2 3.9Å; L159-Y161 WeakPolarHBondContact CD1-OH 3.11Å; Y161-N163 WeakPolarHBondContact CB-OD1 3.03Å; Y161-N163 PolarHBondContact O-N 3.04Å; Y161-N163 VanDerWaalsContact O-N 3.17Å; Y161-G164 PolarHBondContact O-N 3.01Å; Y161-K165 HydrophobicContact CD2-CB 4.12Å; Y161-K165 HydrophobicContact CD2-CG 4.16Å; Y161-K165 WeakPolarHBondContact CD2-O 3.49Å; Y161-K165 PolarHBondContact N-O 2.89Å | ||
| 162 | P | 95.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 24.8 Ų | 24.8 | 32% | 0.318 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33 | -179.3 | -28.9 | 32.7 | 0 | 0 | 0 | 115.6 | F87 E137 G164 | F87-P162 HydrophobicContact CB-CB 4.25Å; F87-P162 HydrophobicContact CB-CG 4.24Å; F87-P162 HydrophobicContact CD1-CG 3.93Å; F87-P162 VanDerWaalsContact CD2-CA 3.46Å; F87-P162 HydrophobicContact CD2-CB 3.79Å; F87-P162 HydrophobicContact CD2-CG 3.9Å; F87-P162 HydrophobicContact CE1-CG 4.2Å; F87-P162 HydrophobicContact CE2-CB 4.26Å; F87-P162 HydrophobicContact CE2-CG 4.15Å; F87-P162 HydrophobicContact CG-CB 3.99Å; F87-P162 HydrophobicContact CG-CG 3.76Å; F87-P162 HydrophobicContact CZ-CG 4.29Å; E137-P162 WeakPolarHBondContact O-CD 3.39Å; P162-G164 PolarHBondContact O-N 3.04Å |
| 163 | N | 94.1 | Very high | 93 | Very high | 105 Ų | 105 | 21.7 Ų | 21.7 | 56% | 0.561 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 0.4 | 177.8 | 67.4 | -11.4 | 0 | 0 | 0 | 113.6 | Y161 K165 | Y161-N163 WeakPolarHBondContact CB-OD1 3.03Å; Y161-N163 PolarHBondContact O-N 3.04Å; Y161-N163 VanDerWaalsContact O-N 3.17Å; N163-K165 VanDerWaalsContact C-N 3.32Å; N163-K165 WeakPolarHBondContact OD1-CB 3.44Å; N163-K165 PolarHBondContact OD1-N 3.07Å |
| 164 | G | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 85.6 | 0.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y161 P162 P224 | Y161-G164 PolarHBondContact O-N 3.01Å; P162-G164 PolarHBondContact O-N 3.04Å; G164-P224 VanDerWaalsContact C-CG 3.45Å; G164-P224 WeakPolarHBondContact O-CD 3.22Å; G164-P224 WeakPolarHBondContact O-CG 3Å |
| 165 | K | 97.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | trans | -63.7 | 139.9 | 169.2 | -176.5 | 174 | 178.4 | 169.7 | 0 | 109.3 | Y161 N163 E221 F222 | Y161-K165 HydrophobicContact CD2-CB 4.12Å; Y161-K165 HydrophobicContact CD2-CG 4.16Å; Y161-K165 WeakPolarHBondContact CD2-O 3.49Å; Y161-K165 PolarHBondContact N-O 2.89Å; N163-K165 VanDerWaalsContact C-N 3.32Å; N163-K165 WeakPolarHBondContact OD1-CB 3.44Å; N163-K165 PolarHBondContact OD1-N 3.07Å; K165-E221 WeakPolarHBondContact CE-OE1 3.37Å; K165-E221 IonicContact NZ-OE1 3.18Å; K165-E221 PolarHBondContact NZ-OE1 2.93Å; K165-F222 CarbonylContact C-O 3.59Å; K165-F222 WeakPolarHBondContact CA-O 3.31Å | ||
| 166 | M | 97.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.4 | 175 | -60.2 | 171.1 | -66.9 | 0 | 0 | 109 | Y56 Y91 I118 Y158 L159 I160 I186 E221 F222 | Y56-M166 HydrophobicContact CD1-CE 4.2Å; Y56-M166 HydrophobicContact CE1-CE 3.52Å; Y91-M166 HydrophobicContact CD2-CE 4.1Å; Y91-M166 HydrophobicContact CD2-SD 3.93Å; Y91-M166 HydrophobicContact CE2-CE 3.76Å; Y91-M166 HydrophobicContact CE2-SD 3.77Å; I118-M166 HydrophobicContact CD1-SD 3.95Å; Y158-M166 HydrophobicContact CE1-CB 3.84Å; Y158-M166 HydrophobicContact CE1-CG 4.19Å; Y158-M166 HydrophobicContact CE1-SD 4.34Å; L159-M166 CarbonylContact O-C 3.55Å; L159-M166 VanDerWaalsContact O-CA 3.23Å; L159-M166 WeakPolarHBondContact O-CA 3.5Å; I160-M166 HydrophobicContact CG1-CG 4.21Å; I160-M166 HydrophobicContact CG2-CG 4.31Å; M166-I186 HydrophobicContact CE-CD1 3.66Å; M166-E221 CarbonylContact O-C 3.56Å; M166-E221 WeakPolarHBondContact O-CA 3.49Å; M166-F222 HydrophobicContact CB-CB 4.39Å; M166-F222 HydrophobicContact CE-CB 3.96Å; M166-F222 PolarHBondContact N-O 3.21Å; M166-F222 PolarHBondContact O-N 2.92Å |
| 167 | S | 97.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.4 | 173.2 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | Y158 L159 V220 | Y158-S167 CarbonylContact C-O 3.56Å; Y158-S167 VanDerWaalsContact CA-O 3.3Å; Y158-S167 WeakPolarHBondContact CA-O 3.34Å; L159-S167 WeakPolarHBondContact CB-OG 2.94Å; L159-S167 PolarHBondContact N-O 3.39Å; L159-S167 PolarHBondContact O-N 2.86Å; S167-V220 CarbonylContact C-O 3.51Å; S167-V220 WeakPolarHBondContact CA-O 3.19Å |
| 168 | L | 96.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 119.2 | -174.5 | 167.2 | 54.3 | 0 | 0 | 0 | 108.1 | I120 V156 L157 Y158 F170 F219 V220 | I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CD1-CD2 4.31Å; I120-L168 HydrophobicContact CG2-CD1 4.41Å; V156-L168 HydrophobicContact CG1-CD1 3.13Å; L157-L168 CarbonylContact O-C 3.53Å; L157-L168 WeakPolarHBondContact O-CA 3.44Å; Y158-L168 HydrophobicContact CD2-CB 3.88Å; Y158-L168 HydrophobicContact CD2-CD1 3.96Å; Y158-L168 HydrophobicContact CD2-CD2 4.43Å; Y158-L168 HydrophobicContact CD2-CG 4.32Å; Y158-L168 HydrophobicContact CE2-CB 3.97Å; Y158-L168 HydrophobicContact CE2-CD2 4.34Å; L168-F170 HydrophobicContact CD1-CD1 3.95Å; L168-F170 HydrophobicContact CD1-CE1 3.55Å; L168-F170 HydrophobicContact CD1-CZ 4.36Å; L168-F170 HydrophobicContact CD2-CE1 3.59Å; L168-F170 HydrophobicContact CD2-CZ 3.61Å; L168-F170 HydrophobicContact CG-CD1 4.18Å; L168-F170 HydrophobicContact CG-CE1 3.54Å; L168-F170 HydrophobicContact CG-CZ 3.86Å; L168-F219 WeakPolarHBondContact O-CA 3.46Å; L168-V220 HydrophobicContact CB-CB 4.18Å; L168-V220 PolarHBondContact N-O 2.83Å; L168-V220 PolarHBondContact O-N 2.8Å |
| 169 | Y | 96.4 | Very high | 85.3 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.6 | 177 | -174.3 | -103.3 | 0 | 0 | 0 | 110.8 | Q64 P66 V156 L157 D171 T218 F219 | Q64-Y169 HydrophobicContact CB-CE2 4.3Å; Q64-Y169 PolarHBondContact O-OH 2.95Å; P66-Y169 HydrophobicContact CB-CD1 4.43Å; P66-Y169 HydrophobicContact CB-CE1 3.83Å; P66-Y169 WeakPolarHBondContact CD-OH 3.46Å; P66-Y169 HydrophobicContact CG-CE1 3.86Å; V156-Y169 WeakPolarHBondContact CA-O 3.2Å; L157-Y169 PolarHBondContact N-O 3.44Å; L157-Y169 PolarHBondContact O-N 3.24Å; Y169-D171 HydrophobicContact CD1-CB 3.96Å; Y169-D171 HydrophobicContact CE1-CB 3.72Å; Y169-T218 WeakPolarHBondContact CA-O 3.48Å; Y169-T218 WeakPolarHBondContact CD2-O 2.98Å; Y169-F219 HydrophobicContact CD2-CB 4.18Å; Y169-F219 AromaticContact CD2-CD2 3.95Å; Y169-F219 HydrophobicContact CD2-CD2 3.95Å; Y169-F219 HydrophobicContact CD2-CG 4.49Å; Y169-F219 HydrophobicContact CG-CD2 4.46Å |
| 170 | F | 93.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106.5 | 175.5 | -62.1 | -34.6 | 0 | 0 | 0 | 110.2 | I120 F121 V156 L168 I173 I214 K215 R217 T218 V220 | I120-F170 HydrophobicContact CG2-CE1 4.49Å; F121-F170 HydrophobicContact CE1-CD1 4.5Å; F121-F170 AromaticContact CE1-CE1 3.88Å; F121-F170 HydrophobicContact CE1-CE1 3.88Å; F121-F170 AromaticContact CE1-CZ 3.98Å; F121-F170 HydrophobicContact CE1-CZ 3.98Å; F121-F170 HydrophobicContact CE2-CD1 4.2Å; F121-F170 HydrophobicContact CE2-CE1 4.1Å; F121-F170 AromaticContact CZ-CD1 3.6Å; F121-F170 HydrophobicContact CZ-CD1 3.6Å; F121-F170 AromaticContact CZ-CE1 3.36Å; F121-F170 HydrophobicContact CZ-CE1 3.36Å; F121-F170 HydrophobicContact CZ-CE2 4.48Å; F121-F170 HydrophobicContact CZ-CG 4.25Å; F121-F170 AromaticContact CZ-CZ 3.88Å; F121-F170 HydrophobicContact CZ-CZ 3.88Å; V156-F170 HydrophobicContact CG1-CD1 4.02Å; V156-F170 HydrophobicContact CG1-CE1 4.26Å; V156-F170 HydrophobicContact CG2-CD1 4.18Å; L168-F170 HydrophobicContact CD1-CD1 3.95Å; L168-F170 HydrophobicContact CD1-CE1 3.55Å; L168-F170 HydrophobicContact CD1-CZ 4.36Å; L168-F170 HydrophobicContact CD2-CE1 3.59Å; L168-F170 HydrophobicContact CD2-CZ 3.61Å; L168-F170 HydrophobicContact CG-CD1 4.18Å; L168-F170 HydrophobicContact CG-CE1 3.54Å; L168-F170 HydrophobicContact CG-CZ 3.86Å; F170-I173 HydrophobicContact CB-CD1 3.94Å; F170-I173 HydrophobicContact CB-CG1 3.68Å; F170-I173 HydrophobicContact CD1-CD1 4.31Å; F170-I173 HydrophobicContact CG-CD1 4.24Å; F170-I173 HydrophobicContact CG-CG1 4.12Å; F170-I214 HydrophobicContact CD2-CG2 4.39Å; F170-I214 HydrophobicContact CE2-CB 4.29Å; F170-I214 HydrophobicContact CE2-CG1 4.15Å; F170-I214 HydrophobicContact CE2-CG2 4.03Å; F170-I214 HydrophobicContact CZ-CG2 4.43Å; F170-K215 WeakPolarHBondContact CB-O 3.31Å; F170-R217 WeakPolarHBondContact O-CA 3.4Å; F170-R217 PolarHBondContact O-N 3.47Å; F170-T218 HydrophobicContact CD2-CG2 4.19Å; F170-T218 HydrophobicContact CE2-CG2 4.46Å; F170-T218 PolarHBondContact N-O 3.16Å; F170-V220 HydrophobicContact CE2-CG2 4.43Å |
| 171 | D | 90.2 | Very high | 82 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 100.3 | 179.1 | -172.7 | 24.2 | 0 | 0 | 0 | 109.7 | G154 S155 Y169 | G154-D171 CarbonylContact C-O 3.59Å; G154-D171 WeakPolarHBondContact CA-O 3.34Å; S155-D171 PolarHBondContact N-O 2.01Å; S155-D171 CarbonylContact O-C 3.51Å; S155-D171 WeakPolarHBondContact O-CA 3.31Å; S155-D171 WeakPolarHBondContact O-CB 3.38Å; S155-D171 PolarHBondContact O-N 2.86Å; S155-D171 WeakPolarHBondContact OG-CB 3.23Å; S155-D171 PolarHBondContact OG-OD2 2.65Å; Y169-D171 HydrophobicContact CD1-CB 3.96Å; Y169-D171 HydrophobicContact CE1-CB 3.72Å |
| 172 | N | 85.7 | Confident | 81.2 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | trans | 56.7 | 92.8 | -172.5 | -161.6 | 28.2 | 0 | 0 | 0 | 114.3 | G152 G153 G154 S216 | G152-N172 PolarHBondContact O-ND2 3.43Å; G153-N172 PolarHBondContact O-ND2 3.26Å; G154-N172 WeakPolarHBondContact CA-O 3.48Å; N172-S216 WeakPolarHBondContact CA-OG 3.37Å | ||
| 173 | I | 79.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -97.7 | 118.7 | 168.2 | -54.6 | -57.2 | 0 | 0 | 0 | 107.5 | F121 V156 F170 Q175 V178 S216 | F121-I173 HydrophobicContact CE2-CD1 3.63Å; F121-I173 HydrophobicContact CZ-CD1 3.63Å; F121-I173 HydrophobicContact CZ-CG1 4.27Å; V156-I173 HydrophobicContact CG2-CD1 4.34Å; F170-I173 HydrophobicContact CB-CD1 3.94Å; F170-I173 HydrophobicContact CB-CG1 3.68Å; F170-I173 HydrophobicContact CD1-CD1 4.31Å; F170-I173 HydrophobicContact CG-CD1 4.24Å; F170-I173 HydrophobicContact CG-CG1 4.12Å; I173-Q175 PolarHBondContact O-N 3.48Å; I173-V178 HydrophobicContact CG2-CG2 4.3Å; I173-S216 PolarHBondContact N-OG 3.01Å; I173-S216 PolarHBondContact O-OG 3.33Å | ||
| 174 | P | 70.9 | Confident | 80.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | trans | -57.5 | 130 | -179.3 | -21.5 | 29.2 | 0 | 0 | 0 | 111.7 | H150 E176 I177 | H150-P174 HydrophobicContact CB-CB 3.27Å; H150-P174 HydrophobicContact CB-CG 3.28Å; P174-E176 PolarHBondContact O-N 2.9Å; P174-I177 HydrophobicContact CB-CD1 4.1Å; P174-I177 HydrophobicContact CB-CG1 4.15Å; P174-I177 HydrophobicContact CG-CD1 3.9Å; P174-I177 PolarHBondContact O-N 3.49Å | ||
| 175 | Q | 66.7 | Low | 80.8 | Confident | 173 Ų | 173 | 44.3 Ų | 44.3 | 81% | 0.808 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -60.8 | -27.6 | -176.1 | -70.2 | -172.6 | -6.8 | 0 | 0 | 112.7 | I173 I177 V178 | I173-Q175 PolarHBondContact O-N 3.48Å; Q175-I177 PolarHBondContact O-N 3.05Å; Q175-V178 WeakPolarHBondContact O-CB 3.38Å; Q175-V178 PolarHBondContact O-N 3.21Å |
| 176 | E | 63.6 | Low | 80.8 | Confident | 127 Ų | 127 | 42.3 Ų | 42.3 | 59% | 0.593 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -58.8 | -26.8 | 175.6 | -67.6 | 164.9 | -177.6 | 0 | 0 | 112.7 | H150 P174 | H150-E176 IonicContact CD2-OE2 3.38Å; H150-E176 PolarHBondContact CD2-OE2 2.87Å; P174-E176 PolarHBondContact O-N 2.9Å |
| 177 | I | 62.9 | Low | 80.6 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -85.4 | -22.8 | 176.9 | -43.8 | 174.1 | 0 | 0 | 0 | 111.3 | I124 H150 P174 Q175 G179 E180 L182 | I124-I177 HydrophobicContact CD1-CD1 3.77Å; I124-I177 HydrophobicContact CD1-CG2 4.03Å; I124-I177 HydrophobicContact CG1-CD1 4.08Å; I124-I177 HydrophobicContact CG1-CG2 3.97Å; H150-I177 WeakPolarHBondContact CE1-CD1 3.24Å; H150-I177 WeakPolarHBondContact CE1-CG1 3.49Å; H150-I177 WeakPolarHBondContact ND1-CD1 3.36Å; H150-I177 WeakPolarHBondContact NE2-CG1 2.92Å; P174-I177 HydrophobicContact CB-CD1 4.1Å; P174-I177 HydrophobicContact CB-CG1 4.15Å; P174-I177 HydrophobicContact CG-CD1 3.9Å; P174-I177 PolarHBondContact O-N 3.49Å; Q175-I177 PolarHBondContact O-N 3.05Å; I177-G179 VanDerWaalsContact C-N 3.32Å; I177-G179 PolarHBondContact O-N 2.8Å; I177-E180 PolarHBondContact O-N 3.29Å; I177-L182 HydrophobicContact CB-CD1 4.35Å; I177-L182 HydrophobicContact CG2-CD1 3.96Å; I177-L182 HydrophobicContact CG2-CD2 3.43Å; I177-L182 VanDerWaalsContact CG2-CD2 3.43Å; I177-L182 HydrophobicContact CG2-CG 3.82Å; I177-L182 VanDerWaalsContact O-CD1 3.26Å; I177-L182 WeakPolarHBondContact O-CD1 3.47Å; I177-L182 WeakPolarHBondContact O-CG 3.34Å |
| 178 | V | 59.8 | Low | 80.5 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 86.2 | -172.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | I173 Q175 K215 | I173-V178 HydrophobicContact CG2-CG2 4.3Å; Q175-V178 WeakPolarHBondContact O-CB 3.38Å; Q175-V178 PolarHBondContact O-N 3.21Å; V178-K215 HydrophobicContact CG1-CG 4.34Å |
| 179 | G | 56.5 | Low | 80.3 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 60% | 0.598 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 151.7 | -21.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I177 | I177-G179 VanDerWaalsContact C-N 3.32Å; I177-G179 PolarHBondContact O-N 2.8Å |
| 180 | E | 62.1 | Low | 80 | Confident | 142 Ų | 142 | 44.6 Ų | 44.6 | 66% | 0.664 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -103.4 | 99.4 | -176.5 | -64.1 | -164.9 | 163.8 | 0 | 0 | 111.9 | I177 L182 | I177-E180 PolarHBondContact O-N 3.29Å; E180-L182 PolarHBondContact O-N 3.42Å |
| 181 | N | 64.5 | Low | 79.7 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | trans | 41.9 | 34.4 | 167.9 | -61.8 | -54.4 | 0 | 0 | 0 | 115.3 | K123 E183 | K123-N181 HydrophobicContact CD-CB 4.01Å; K123-N181 PolarHBondContact NZ-ND2 3.3Å; N181-E183 PolarHBondContact O-N 3.07Å; N181-E183 VanDerWaalsContact O-N 3.12Å | ||
| 182 | L | 79.2 | Confident | 79.6 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | -70.3 | 110 | 175.9 | -80.9 | -179.1 | 0 | 0 | 0 | 107.6 | F121 I124 I177 E180 I211 I214 | F121-L182 HydrophobicContact CD1-CD2 3.97Å; F121-L182 HydrophobicContact CE1-CD2 4.49Å; I124-L182 HydrophobicContact CD1-CD2 3.72Å; I124-L182 HydrophobicContact CG1-CD2 3.88Å; I177-L182 HydrophobicContact CB-CD1 4.35Å; I177-L182 HydrophobicContact CG2-CD1 3.96Å; I177-L182 HydrophobicContact CG2-CD2 3.43Å; I177-L182 VanDerWaalsContact CG2-CD2 3.43Å; I177-L182 HydrophobicContact CG2-CG 3.82Å; I177-L182 VanDerWaalsContact O-CD1 3.26Å; I177-L182 WeakPolarHBondContact O-CD1 3.47Å; I177-L182 WeakPolarHBondContact O-CG 3.34Å; E180-L182 PolarHBondContact O-N 3.42Å; L182-I211 HydrophobicContact CB-CD1 4.29Å; L182-I211 HydrophobicContact CB-CG1 4.23Å; L182-I214 HydrophobicContact CB-CD1 4.25Å; L182-I214 HydrophobicContact CD1-CG2 3.91Å | ||
| 183 | E | 87.3 | Confident | 79.6 | Confident | 69 Ų | 69 | 43.9 Ų | 43.9 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | trans | -120.5 | 119.9 | 176.3 | -67 | -175.6 | -151.6 | 0 | 0 | 109.2 | F121 L122 N181 | F121-E183 CarbonylContact C-O 3.54Å; F121-E183 WeakPolarHBondContact CA-O 3.48Å; L122-E183 HydrophobicContact CB-CB 4.14Å; L122-E183 HydrophobicContact CD1-CB 3.76Å; L122-E183 HydrophobicContact CD1-CG 4.17Å; L122-E183 VanDerWaalsContact CD1-OE2 3.32Å; L122-E183 WeakPolarHBondContact CD1-OE2 3.24Å; L122-E183 HydrophobicContact CG-CB 3.93Å; L122-E183 PolarHBondContact N-O 3.44Å; N181-E183 PolarHBondContact O-N 3.07Å; N181-E183 VanDerWaalsContact O-N 3.12Å | ||
| 184 | S | 93.6 | Very high | 79.8 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132 | 167.4 | -165.6 | 0 | 0 | 0 | 0 | 108.2 | N119 I120 H208 V209 | N119-S184 CarbonylContact O-C 3.48Å; N119-S184 WeakPolarHBondContact O-CA 3.46Å; N119-S184 PolarHBondContact O-OG 3.39Å; I120-S184 WeakPolarHBondContact O-CA 3.23Å; I120-S184 WeakPolarHBondContact O-CB 3.44Å; I120-S184 PolarHBondContact O-OG 2.95Å; S184-H208 CarbonylContact O-C 3.53Å; S184-H208 WeakPolarHBondContact O-CA 3.36Å; S184-V209 PolarHBondContact O-N 3.18Å |
| 185 | W | 95.4 | Very high | 80.4 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 162.6 | -177.1 | 51.3 | -99.8 | 0 | 0 | 0 | 113.8 | Q117 N119 D187 R206 I207 H208 | Q117-W185 HydrophobicContact CB-CH2 4.23Å; Q117-W185 HydrophobicContact CB-CZ3 3.94Å; Q117-W185 HydrophobicContact CG-CH2 3.91Å; Q117-W185 HydrophobicContact CG-CZ3 4Å; N119-W185 HydrophobicContact CB-CD2 3.8Å; N119-W185 VanDerWaalsContact CB-CE2 3.44Å; N119-W185 HydrophobicContact CB-CE3 4.15Å; N119-W185 HydrophobicContact CB-CG 4.4Å; N119-W185 HydrophobicContact CB-CH2 3.83Å; N119-W185 HydrophobicContact CB-CZ2 3.48Å; N119-W185 VanDerWaalsContact CB-CZ2 3.48Å; N119-W185 HydrophobicContact CB-CZ3 4.16Å; N119-W185 PolarHBondContact N-O 2.7Å; N119-W185 PolarHBondContact O-N 2.62Å; W185-D187 HydrophobicContact CE3-CB 4.35Å; W185-D187 HydrophobicContact CZ3-CB 4.41Å; W185-D187 WeakPolarHBondContact CZ3-OD1 3.48Å; W185-D187 WeakPolarHBondContact CZ3-OD2 3.32Å; W185-R206 HydrophobicContact CB-CG 3.73Å; W185-R206 HydrophobicContact CD2-CG 4.09Å; W185-R206 HydrophobicContact CE3-CG 4.14Å; W185-R206 HydrophobicContact CG-CG 3.94Å; W185-I207 CarbonylContact C-O 3.58Å; W185-I207 WeakPolarHBondContact CA-O 3.47Å; W185-I207 VanDerWaalsContact CB-O 3.25Å; W185-I207 WeakPolarHBondContact CB-O 3.42Å; W185-H208 AromaticContact CD1-CE1 3.82Å; W185-H208 AromaticContact CD1-ND1 3.92Å |
| 186 | I | 97 | Very high | 81.3 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.3 | 167.2 | 68.8 | 168.3 | 0 | 0 | 0 | 109.4 | Y56 Y92 I118 M166 R206 I207 F222 | Y56-I186 HydrophobicContact CD2-CD1 4.38Å; Y56-I186 HydrophobicContact CG-CD1 4.43Å; Y92-I186 HydrophobicContact CE2-CD1 4.39Å; I118-I186 HydrophobicContact CB-CG2 4.25Å; I118-I186 HydrophobicContact CG1-CB 4.3Å; I118-I186 HydrophobicContact CG1-CG2 3.77Å; I118-I186 HydrophobicContact CG2-CG2 4Å; M166-I186 HydrophobicContact CE-CD1 3.66Å; I186-R206 WeakPolarHBondContact O-CA 3.44Å; I186-I207 HydrophobicContact CD1-CD1 4.17Å; I186-I207 HydrophobicContact CG1-CB 3.88Å; I186-I207 HydrophobicContact CG1-CD1 4.21Å; I186-I207 HydrophobicContact CG1-CG1 4.33Å; I186-I207 PolarHBondContact N-O 2.99Å; I186-I207 PolarHBondContact O-N 2.98Å; I186-F222 HydrophobicContact CD1-CB 4.04Å; I186-F222 HydrophobicContact CD1-CD1 3.48Å; I186-F222 VanDerWaalsContact CD1-CD1 3.48Å; I186-F222 HydrophobicContact CD1-CD2 4.18Å; I186-F222 HydrophobicContact CD1-CE1 3.87Å; I186-F222 HydrophobicContact CD1-CG 3.64Å; I186-F222 HydrophobicContact CD1-CZ 4.38Å; I186-F222 HydrophobicContact CG1-CD1 4.09Å; I186-F222 HydrophobicContact CG1-CE1 3.95Å; I186-F222 HydrophobicContact CG1-CZ 4.29Å; I186-F222 HydrophobicContact CG2-CD2 4.4Å; I186-F222 HydrophobicContact CG2-CE2 4.03Å; I186-F222 HydrophobicContact CG2-CZ 4.14Å |
| 187 | D | 95.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.8 | 172.3 | 63.4 | 24 | 0 | 0 | 0 | 113.5 | Y91 G116 Q117 W185 R189 P203 R206 | Y91-D187 WeakPolarHBondContact CE1-O 3.37Å; Y91-D187 PolarHBondContact OH-N 3.23Å; Y91-D187 PolarHBondContact OH-O 2.83Å; G116-D187 VanDerWaalsContact CA-O 3.25Å; G116-D187 WeakPolarHBondContact CA-O 3.46Å; Q117-D187 PolarHBondContact N-O 2.91Å; Q117-D187 PolarHBondContact O-N 3.11Å; W185-D187 HydrophobicContact CE3-CB 4.35Å; W185-D187 HydrophobicContact CZ3-CB 4.41Å; W185-D187 WeakPolarHBondContact CZ3-OD1 3.48Å; W185-D187 WeakPolarHBondContact CZ3-OD2 3.32Å; D187-R189 VanDerWaalsContact CG-NE 3.33Å; D187-R189 IonicContact OD1-CZ 3.17Å; D187-R189 IonicContact OD1-NE 3.29Å; D187-R189 PolarHBondContact OD1-NE 2.87Å; D187-R189 IonicContact OD1-NH2 2.89Å; D187-R189 PolarHBondContact OD1-NH2 2.79Å; D187-R189 IonicContact OD2-CZ 2.77Å; D187-R189 IonicContact OD2-NE 3.35Å; D187-R189 PolarHBondContact OD2-NE 2.95Å; D187-R189 IonicContact OD2-NH1 3.84Å; D187-R189 IonicContact OD2-NH2 3.39Å; D187-R189 PolarHBondContact OD2-NH2 2.79Å; D187-P203 HydrophobicContact CB-CB 4.31Å; D187-P203 WeakPolarHBondContact OD2-CB 3.49Å; D187-R206 HydrophobicContact CB-CB 3.89Å; D187-R206 HydrophobicContact CB-CG 4.12Å; D187-R206 IonicContact OD2-CZ 3.99Å; D187-R206 VanDerWaalsContact OD2-CZ 3.25Å; D187-R206 IonicContact OD2-NE 2.73Å; D187-R206 PolarHBondContact OD2-NE 2.86Å; D187-R206 IonicContact OD2-NH2 3.25Å; D187-R206 PolarHBondContact OD2-NH2 3.5Å |
| 188 | Y | 94.5 | Very high | 83.4 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 147.4 | 163.3 | -175.4 | -97.7 | 0 | 0 | 0 | 109.9 | Y92 Q94 I115 Y190 P203 Y204 T263 | Y92-Y188 HydrophobicContact CD1-CG 4.45Å; Y92-Y188 HydrophobicContact CG-CD2 4.14Å; Y92-Y188 HydrophobicContact CG-CG 4.3Å; Q94-Y188 HydrophobicContact CB-CE2 4.27Å; Q94-Y188 HydrophobicContact CG-CE2 3.53Å; I115-Y188 HydrophobicContact CB-CD2 4.5Å; I115-Y188 HydrophobicContact CB-CE2 3.83Å; I115-Y188 HydrophobicContact CG2-CE2 4.39Å; I115-Y188 WeakPolarHBondContact O-CA 3.43Å; I115-Y188 WeakPolarHBondContact O-CD2 3.43Å; I115-Y188 VanDerWaalsContact O-CE2 3.24Å; I115-Y188 WeakPolarHBondContact O-CE2 3.44Å; Y188-Y190 AromaticContact CE1-CD2 3.92Å; Y188-Y190 HydrophobicContact CE1-CD2 3.92Å; Y188-P203 CarbonylContact O-C 3.52Å; Y188-P203 WeakPolarHBondContact O-CA 3.47Å; Y188-Y204 HydrophobicContact CD1-CD1 4.4Å; Y188-Y204 PolarHBondContact N-O 3.4Å; Y188-Y204 PolarHBondContact O-N 3.32Å; Y188-T263 HydrophobicContact CD1-CG2 4.03Å; Y188-T263 HydrophobicContact CD2-CG2 4.14Å; Y188-T263 HydrophobicContact CE1-CG2 4.2Å; Y188-T263 HydrophobicContact CE2-CG2 4.3Å; Y188-T263 HydrophobicContact CG-CG2 4Å |
| 189 | R | 93 | Very high | 84.8 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 106.6 | -176.4 | -68 | -71.1 | 176.5 | 162 | 5.7 | 110 | F114 I115 D187 F201 | F114-R189 HydrophobicContact CD1-CB 3.84Å; F114-R189 HydrophobicContact CD1-CG 4.12Å; F114-R189 HydrophobicContact CE1-CB 3.7Å; F114-R189 HydrophobicContact CE1-CG 3.44Å; F114-R189 VanDerWaalsContact CE1-CG 3.44Å; F114-R189 HydrophobicContact CZ-CB 4.39Å; F114-R189 HydrophobicContact CZ-CG 3.8Å; I115-R189 PolarHBondContact O-N 3.38Å; D187-R189 VanDerWaalsContact CG-NE 3.33Å; D187-R189 IonicContact OD1-CZ 3.17Å; D187-R189 IonicContact OD1-NE 3.29Å; D187-R189 PolarHBondContact OD1-NE 2.87Å; D187-R189 IonicContact OD1-NH2 2.89Å; D187-R189 PolarHBondContact OD1-NH2 2.79Å; D187-R189 IonicContact OD2-CZ 2.77Å; D187-R189 IonicContact OD2-NE 3.35Å; D187-R189 PolarHBondContact OD2-NE 2.95Å; D187-R189 IonicContact OD2-NH1 3.84Å; D187-R189 IonicContact OD2-NH2 3.39Å; D187-R189 PolarHBondContact OD2-NH2 2.79Å; R189-F201 HydrophobicContact CB-CB 4.23Å; R189-F201 HydrophobicContact CB-CD1 4.35Å |
| 190 | Y | 89 | Confident | 86.4 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126 | -178.5 | -158.4 | -83.7 | 0 | 0 | 0 | 110.7 | T29 I33 Y188 C192 F201 E202 K266 | T29-Y190 HydrophobicContact CG2-CE1 3.82Å; T29-Y190 HydrophobicContact CG2-CE2 4.29Å; T29-Y190 VanDerWaalsContact CG2-CZ 3.48Å; T29-Y190 WeakPolarHBondContact CG2-OH 3.26Å; I33-Y190 HydrophobicContact CD1-CD1 3.97Å; I33-Y190 HydrophobicContact CD1-CD2 3.24Å; I33-Y190 HydrophobicContact CD1-CE1 3.95Å; I33-Y190 HydrophobicContact CD1-CE2 3.21Å; I33-Y190 HydrophobicContact CD1-CG 3.62Å; I33-Y190 HydrophobicContact CG2-CD2 4.41Å; I33-Y190 HydrophobicContact CG2-CG 4.21Å; Y188-Y190 AromaticContact CE1-CD2 3.92Å; Y188-Y190 HydrophobicContact CE1-CD2 3.92Å; Y190-C192 PolarHBondContact O-N 2.89Å; Y190-F201 CarbonylContact O-C 3.57Å; Y190-F201 WeakPolarHBondContact O-CA 3.35Å; Y190-E202 PolarHBondContact N-O 3.22Å; Y190-E202 PolarHBondContact O-N 3.31Å; Y190-K266 HydrophobicContact CE2-CB 4.39Å; Y190-K266 WeakPolarHBondContact OH-CA 3.39Å; Y190-K266 WeakPolarHBondContact OH-CB 3.27Å; Y190-K266 VanDerWaalsContact OH-CG 3.3Å; Y190-K266 WeakPolarHBondContact OH-CG 2.95Å; Y190-K266 PolarHBondContact OH-N 3.32Å |
| 191 | K | 88.3 | Confident | 87.8 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 30% | 0.296 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 118.2 | 179.2 | -169.3 | 175.8 | -175.3 | 167.5 | 0 | 110.6 | D113 T199 F201 | D113-K191 VanDerWaalsContact CG-NZ 3.26Å; D113-K191 IonicContact OD1-NZ 3.39Å; D113-K191 PolarHBondContact OD1-NZ 3.21Å; D113-K191 WeakPolarHBondContact OD2-CD 3.18Å; D113-K191 IonicContact OD2-NZ 3.64Å; D113-K191 PolarHBondContact OD2-NZ 3.21Å; K191-T199 HydrophobicContact CD-CG2 4.27Å; K191-T199 HydrophobicContact CG-CG2 3.72Å; K191-F201 HydrophobicContact CB-CD1 4.12Å; K191-F201 HydrophobicContact CB-CE1 3.77Å; K191-F201 HydrophobicContact CD-CE1 4.28Å; K191-F201 HydrophobicContact CD-CZ 4.37Å; K191-F201 HydrophobicContact CG-CD1 4.5Å; K191-F201 HydrophobicContact CG-CE1 3.89Å; K191-F201 HydrophobicContact CG-CZ 4.16Å |
| 192 | C | 86.7 | Confident | 89 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 166.9 | -174.4 | -71 | 0 | 0 | 0 | 0 | 111.6 | C30 Y190 T199 V200 E202 | C30-C192 HydrophobicContact CB-CB 3.82Å; C30-C192 WeakPolarHBondContact CB-SG 3.37Å; C30-C192 WeakPolarHBondContact SG-CA 3.5Å; C30-C192 WeakPolarHBondContact SG-CB 3.14Å; C30-C192 CovalentContact SG-SG 2.01Å; C30-C192 PolarHBondContact SG-SG 2.9Å; Y190-C192 PolarHBondContact O-N 2.89Å; C192-T199 WeakPolarHBondContact O-CA 3.26Å; C192-V200 WeakPolarHBondContact CA-O 3.41Å; C192-V200 HydrophobicContact CB-CG2 3.68Å; C192-V200 WeakPolarHBondContact CB-O 3.31Å; C192-V200 PolarHBondContact N-O 3.22Å; C192-V200 PolarHBondContact O-N 3.16Å; C192-E202 HydrophobicContact CB-CG 4.05Å |
| 193 | L | 85.8 | Confident | 89.6 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 20% | 0.199 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.6 | 168.6 | -62.1 | 176.8 | 0 | 0 | 0 | 108.1 | F23 C26 Q27 N198 | F23-L193 HydrophobicContact CD2-CD1 3.36Å; F23-L193 HydrophobicContact CE2-CB 3.98Å; F23-L193 HydrophobicContact CE2-CD1 3.63Å; F23-L193 HydrophobicContact CE2-CG 4.44Å; F23-L193 HydrophobicContact CG-CD1 4.36Å; C26-L193 HydrophobicContact CB-CD1 4.47Å; Q27-L193 PolarHBondContact OE1-O 3.43Å; L193-N198 CarbonylContact C-O 3.52Å; L193-N198 VanDerWaalsContact CA-O 3.3Å; L193-N198 WeakPolarHBondContact CA-O 3.23Å |
| 194 | D | 84.3 | Confident | 89.8 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | trans | -80.4 | -178.5 | 170.6 | 71.5 | 10.1 | 0 | 0 | 0 | 111.2 | Q196 A197 N198 V200 | D194-Q196 PolarHBondContact O-N 3.31Å; D194-Q196 VanDerWaalsContact O-N 3.11Å; D194-Q196 VanDerWaalsContact OD1-CA 3.25Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.47Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.27Å; D194-Q196 PolarHBondContact OD1-N 2.92Å; D194-A197 PolarHBondContact O-N 3.24Å; D194-A197 PolarHBondContact OD1-N 3.15Å; D194-N198 PolarHBondContact N-O 2.85Å; D194-N198 PolarHBondContact OD1-N 3.2Å; D194-N198 PolarHBondContact OD1-ND2 3.11Å; D194-N198 WeakPolarHBondContact OD2-CB 3.08Å; D194-N198 PolarHBondContact OD2-ND2 3.4Å; D194-N198 VanDerWaalsContact OD2-ND2 3.07Å; D194-V200 HydrophobicContact CB-CG1 4.02Å; D194-V200 HydrophobicContact CB-CG2 4.41Å | ||
| 195 | K | 82.7 | Confident | 89.6 | Confident | 196 Ų | 196 | 46.1 Ų | 46.1 | 85% | 0.852 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18.8 | 178.4 | -65.3 | -176.9 | -179.1 | 179.6 | 0 | 113.2 | ||
| 196 | Q | 85.6 | Confident | 89.5 | Confident | 136 Ų | 136 | 49.1 Ų | 49.1 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8.4 | 178.2 | -67.5 | 76.4 | 23.3 | 0 | 0 | 112.2 | D194 N198 | D194-Q196 PolarHBondContact O-N 3.31Å; D194-Q196 VanDerWaalsContact O-N 3.11Å; D194-Q196 VanDerWaalsContact OD1-CA 3.25Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.47Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.27Å; D194-Q196 PolarHBondContact OD1-N 2.92Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.39Å; Q196-N198 PolarHBondContact O-N 2.99Å |
| 197 | A | 83.7 | Confident | 89.5 | Confident | 55 Ų | 55 | 49 Ų | 49 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 62.7 | 20.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F23 D194 | F23-A197 HydrophobicContact CE2-CB 3.76Å; D194-A197 PolarHBondContact O-N 3.24Å; D194-A197 PolarHBondContact OD1-N 3.15Å |
| 198 | N | 87.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 52.3 Ų | 52.3 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | trans | -78.8 | 145.5 | 169.9 | -53.8 | -57.7 | 0 | 0 | 0 | 110.2 | L193 D194 Q196 V200 | L193-N198 CarbonylContact C-O 3.52Å; L193-N198 VanDerWaalsContact CA-O 3.3Å; L193-N198 WeakPolarHBondContact CA-O 3.23Å; D194-N198 PolarHBondContact N-O 2.85Å; D194-N198 PolarHBondContact OD1-N 3.2Å; D194-N198 PolarHBondContact OD1-ND2 3.11Å; D194-N198 WeakPolarHBondContact OD2-CB 3.08Å; D194-N198 PolarHBondContact OD2-ND2 3.4Å; D194-N198 VanDerWaalsContact OD2-ND2 3.07Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.39Å; Q196-N198 PolarHBondContact O-N 2.99Å; N198-V200 PolarHBondContact O-N 2.97Å | ||
| 199 | T | 88.3 | Confident | 89.5 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.2 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | K191 C192 F201 | K191-T199 HydrophobicContact CD-CG2 4.27Å; K191-T199 HydrophobicContact CG-CG2 3.72Å; C192-T199 WeakPolarHBondContact O-CA 3.26Å; T199-F201 HydrophobicContact CG2-CE2 3.93Å; T199-F201 HydrophobicContact CG2-CZ 4.16Å |
| 200 | V | 90.3 | Very high | 89.5 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 152 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | C192 D194 N198 | C192-V200 WeakPolarHBondContact CA-O 3.41Å; C192-V200 HydrophobicContact CB-CG2 3.68Å; C192-V200 WeakPolarHBondContact CB-O 3.31Å; C192-V200 PolarHBondContact N-O 3.22Å; C192-V200 PolarHBondContact O-N 3.16Å; D194-V200 HydrophobicContact CB-CG1 4.02Å; D194-V200 HydrophobicContact CB-CG2 4.41Å; N198-V200 PolarHBondContact O-N 2.97Å |
| 201 | F | 90.9 | Very high | 89.5 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 101.3 | -179.7 | -71.4 | -86.8 | 0 | 0 | 0 | 110.4 | F114 R189 Y190 K191 T199 | F114-F201 HydrophobicContact CB-CD1 4.31Å; F114-F201 HydrophobicContact CB-CE1 3.86Å; F114-F201 HydrophobicContact CB-CE2 4.38Å; F114-F201 HydrophobicContact CB-CZ 3.89Å; F114-F201 HydrophobicContact CD1-CB 4Å; F114-F201 AromaticContact CD1-CD1 3.74Å; F114-F201 HydrophobicContact CD1-CD1 3.74Å; F114-F201 HydrophobicContact CD1-CD2 4Å; F114-F201 HydrophobicContact CD1-CE1 4.16Å; F114-F201 HydrophobicContact CD1-CE2 4.39Å; F114-F201 AromaticContact CD1-CG 3.65Å; F114-F201 HydrophobicContact CD1-CG 3.65Å; F114-F201 HydrophobicContact CD1-CZ 4.46Å; F114-F201 HydrophobicContact CE1-CB 4.18Å; F114-F201 HydrophobicContact CE1-CG 4.33Å; F114-F201 VanDerWaalsContact O-CE1 3.27Å; F114-F201 WeakPolarHBondContact O-CE1 3.48Å; R189-F201 HydrophobicContact CB-CB 4.23Å; R189-F201 HydrophobicContact CB-CD1 4.35Å; Y190-F201 CarbonylContact O-C 3.57Å; Y190-F201 WeakPolarHBondContact O-CA 3.35Å; K191-F201 HydrophobicContact CB-CD1 4.12Å; K191-F201 HydrophobicContact CB-CE1 3.77Å; K191-F201 HydrophobicContact CD-CE1 4.28Å; K191-F201 HydrophobicContact CD-CZ 4.37Å; K191-F201 HydrophobicContact CG-CD1 4.5Å; K191-F201 HydrophobicContact CG-CE1 3.89Å; K191-F201 HydrophobicContact CG-CZ 4.16Å; T199-F201 HydrophobicContact CG2-CE2 3.93Å; T199-F201 HydrophobicContact CG2-CZ 4.16Å |
| 202 | E | 90.8 | Very high | 89.5 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 134.9 | -177.9 | -67.3 | -74.3 | -174.9 | 0 | 0 | 110 | K34 Y190 C192 | K34-E202 WeakPolarHBondContact CE-OE2 3.29Å; K34-E202 IonicContact NZ-OE1 2.67Å; K34-E202 PolarHBondContact NZ-OE1 2.92Å; K34-E202 IonicContact NZ-OE2 2.65Å; K34-E202 PolarHBondContact NZ-OE2 3.11Å; Y190-E202 PolarHBondContact N-O 3.22Å; Y190-E202 PolarHBondContact O-N 3.31Å; C192-E202 HydrophobicContact CB-CG 4.05Å |
| 203 | P | 92.1 | Very high | 89.8 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.3 | 176.2 | 30.6 | -33.9 | 0 | 0 | 0 | 110.1 | D187 Y188 | D187-P203 HydrophobicContact CB-CB 4.31Å; D187-P203 WeakPolarHBondContact OD2-CB 3.49Å; Y188-P203 CarbonylContact O-C 3.52Å; Y188-P203 WeakPolarHBondContact O-CA 3.47Å |
| 204 | Y | 91 | Very high | 90 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.9 | 171.8 | 168.1 | -105.1 | 0 | 0 | 0 | 109.3 | I33 V36 E55 Y92 Y188 R206 R261 D262 T263 | I33-Y204 HydrophobicContact CG2-CD2 3.55Å; I33-Y204 HydrophobicContact CG2-CG 3.99Å; V36-Y204 HydrophobicContact CB-CD2 3.87Å; V36-Y204 HydrophobicContact CB-CE2 3.6Å; V36-Y204 HydrophobicContact CG1-CD2 4.21Å; V36-Y204 HydrophobicContact CG1-CE2 3.51Å; V36-Y204 HydrophobicContact CG2-CD2 4.33Å; V36-Y204 HydrophobicContact CG2-CE2 3.95Å; E55-Y204 VanDerWaalsContact CD-CE1 3.4Å; E55-Y204 HydrophobicContact CG-CE1 4.32Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.45Å; E55-Y204 VanDerWaalsContact OE1-CZ 3.28Å; E55-Y204 PolarHBondContact OE1-OH 2.93Å; E55-Y204 WeakPolarHBondContact OE2-CE1 3.18Å; Y92-Y204 HydrophobicContact CD1-CD1 4.32Å; Y92-Y204 HydrophobicContact CD1-CE1 4.39Å; Y92-Y204 HydrophobicContact CE1-CD1 4.38Å; Y188-Y204 HydrophobicContact CD1-CD1 4.4Å; Y188-Y204 PolarHBondContact N-O 3.4Å; Y188-Y204 PolarHBondContact O-N 3.32Å; Y204-R206 PolarHBondContact O-N 3.46Å; Y204-R261 WeakPolarHBondContact CE2-O 3.32Å; Y204-D262 WeakPolarHBondContact OH-CA 3.26Å; Y204-T263 HydrophobicContact CD1-CG2 4.35Å; Y204-T263 HydrophobicContact CE1-CG2 4.25Å |
| 205 | N | 88.4 | Confident | 90.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.9 | 57.8 | 172.4 | -162.7 | 32.2 | 0 | 0 | 0 | 113.3 | V36 Y38 H53 E55 Y92 I207 | V36-N205 HydrophobicContact CG1-CB 4.36Å; V36-N205 WeakPolarHBondContact O-CA 3.43Å; V36-N205 PolarHBondContact O-N 2.81Å; Y38-N205 PolarHBondContact N-OD1 3.49Å; Y38-N205 VanDerWaalsContact N-OD1 3.07Å; Y38-N205 PolarHBondContact O-OD1 2.89Å; H53-N205 PolarHBondContact O-ND2 3.35Å; E55-N205 PolarHBondContact OE2-ND2 3.32Å; Y92-N205 PolarHBondContact OH-O 2.92Å; N205-I207 WeakPolarHBondContact O-CG1 3.36Å; N205-I207 PolarHBondContact O-N 2.99Å |
| 206 | R | 94.1 | Very high | 90.5 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 121.1 | -179.9 | 179.2 | 177.2 | -70.6 | 174.3 | 2.3 | 110.6 | W185 I186 D187 Y204 H208 | W185-R206 HydrophobicContact CB-CG 3.73Å; W185-R206 HydrophobicContact CD2-CG 4.09Å; W185-R206 HydrophobicContact CE3-CG 4.14Å; W185-R206 HydrophobicContact CG-CG 3.94Å; I186-R206 WeakPolarHBondContact O-CA 3.44Å; D187-R206 HydrophobicContact CB-CB 3.89Å; D187-R206 HydrophobicContact CB-CG 4.12Å; D187-R206 IonicContact OD2-CZ 3.99Å; D187-R206 VanDerWaalsContact OD2-CZ 3.25Å; D187-R206 IonicContact OD2-NE 2.73Å; D187-R206 PolarHBondContact OD2-NE 2.86Å; D187-R206 IonicContact OD2-NH2 3.25Å; D187-R206 PolarHBondContact OD2-NH2 3.5Å; Y204-R206 PolarHBondContact O-N 3.46Å; R206-H208 WeakPolarHBondContact CD-NE2 3.35Å |
| 207 | I | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.5 | -179.8 | -52 | 175.5 | 0 | 0 | 0 | 108.2 | H53 Y56 Q58 W185 I186 N205 F222 | H53-I207 HydrophobicContact CB-CD1 3.45Å; H53-I207 VanDerWaalsContact CB-CD1 3.45Å; H53-I207 HydrophobicContact CB-CG1 3.66Å; H53-I207 HydrophobicContact CB-CG2 4.41Å; Y56-I207 HydrophobicContact CD2-CD1 4.34Å; Y56-I207 HydrophobicContact CG-CD1 4.4Å; Q58-I207 HydrophobicContact CB-CG2 4.49Å; W185-I207 CarbonylContact C-O 3.58Å; W185-I207 WeakPolarHBondContact CA-O 3.47Å; W185-I207 VanDerWaalsContact CB-O 3.25Å; W185-I207 WeakPolarHBondContact CB-O 3.42Å; I186-I207 HydrophobicContact CD1-CD1 4.17Å; I186-I207 HydrophobicContact CG1-CB 3.88Å; I186-I207 HydrophobicContact CG1-CD1 4.21Å; I186-I207 HydrophobicContact CG1-CG1 4.33Å; I186-I207 PolarHBondContact N-O 2.99Å; I186-I207 PolarHBondContact O-N 2.98Å; N205-I207 WeakPolarHBondContact O-CG1 3.36Å; N205-I207 PolarHBondContact O-N 2.99Å; I207-F222 HydrophobicContact CB-CE1 4.23Å; I207-F222 HydrophobicContact CG2-CD1 4.24Å; I207-F222 HydrophobicContact CG2-CE1 3.65Å |
| 208 | H | 95.1 | Very high | 91.5 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 147.8 | 177.4 | -71.9 | -97.2 | 0 | 0 | 0 | 111.4 | Q58 S184 W185 R206 | Q58-H208 PolarHBondContact NE2-O 3.41Å; S184-H208 CarbonylContact O-C 3.53Å; S184-H208 WeakPolarHBondContact O-CA 3.36Å; W185-H208 AromaticContact CD1-CE1 3.82Å; W185-H208 AromaticContact CD1-ND1 3.92Å; R206-H208 WeakPolarHBondContact CD-NE2 3.35Å |
| 209 | V | 95 | Very high | 91.9 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.9 | 157.4 | -174 | 0 | 0 | 0 | 0 | 106.7 | I60 S184 I211 I214 V220 F222 | I60-V209 HydrophobicContact CD1-CG1 4.07Å; S184-V209 PolarHBondContact O-N 3.18Å; V209-I211 PolarHBondContact O-N 2.99Å; V209-I214 HydrophobicContact CB-CD1 4.32Å; V209-I214 HydrophobicContact CB-CG1 4.2Å; V209-I214 HydrophobicContact CG1-CD1 4.44Å; V209-I214 HydrophobicContact CG1-CG1 3.78Å; V209-V220 HydrophobicContact CG1-CG2 3.86Å; V209-V220 HydrophobicContact CG2-CG1 4.03Å; V209-V220 HydrophobicContact CG2-CG2 4.16Å; V209-F222 HydrophobicContact CG2-CZ 4.19Å |
| 210 | P | 93 | Very high | 92.4 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 136.7 | -179.2 | -19.3 | 30.7 | 0 | 0 | 0 | 111.2 | R49 I60 N212 F213 I214 | R49-P210 VanDerWaalsContact CZ-CG 3.48Å; I60-P210 VanDerWaalsContact CD1-CD 3.47Å; I60-P210 HydrophobicContact CD1-CG 4.35Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.44Å; P210-N212 PolarHBondContact O-N 3.46Å; P210-N212 VanDerWaalsContact O-N 3.12Å; P210-F213 HydrophobicContact CB-CD2 4.1Å; P210-F213 HydrophobicContact CG-CD2 4.33Å; P210-F213 PolarHBondContact O-N 2.82Å; P210-I214 PolarHBondContact O-N 3.41Å |
| 211 | I | 89.6 | Confident | 92.8 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 40% | 0.395 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -56.7 | -33.9 | -170.6 | -167.8 | 168.8 | 0 | 0 | 0 | 113.6 | L182 V209 F213 I214 | L182-I211 HydrophobicContact CB-CD1 4.29Å; L182-I211 HydrophobicContact CB-CG1 4.23Å; V209-I211 PolarHBondContact O-N 2.99Å; I211-F213 PolarHBondContact O-N 3Å; I211-I214 PolarHBondContact O-N 3.49Å; I211-I214 VanDerWaalsContact O-N 3.07Å |
| 212 | N | 89.5 | Confident | 93.1 | Very high | 84 Ų | 84 | 33.8 Ų | 33.8 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -65.2 | -20.5 | 178 | 60.1 | -42.3 | 0 | 0 | 0 | 113.7 | P210 K215 | P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.44Å; P210-N212 PolarHBondContact O-N 3.46Å; P210-N212 VanDerWaalsContact O-N 3.12Å; N212-K215 WeakPolarHBondContact O-CE 3.06Å; N212-K215 PolarHBondContact O-NZ 3.06Å |
| 213 | F | 92.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -95.7 | -9.4 | 174.2 | -71.2 | -87.4 | 0 | 0 | 0 | 113.5 | E44 R49 I60 L62 P210 I211 K215 T218 | E44-F213 HydrophobicContact CG-CZ 4.39Å; R49-F213 HydrophobicContact CB-CE1 4.27Å; R49-F213 HydrophobicContact CB-CE2 4.01Å; R49-F213 HydrophobicContact CB-CZ 3.75Å; I60-F213 HydrophobicContact CB-CD1 4.24Å; I60-F213 HydrophobicContact CD1-CB 4.31Å; I60-F213 HydrophobicContact CD1-CD2 4.47Å; I60-F213 HydrophobicContact CD1-CG 4.3Å; I60-F213 HydrophobicContact CG2-CB 3.8Å; I60-F213 HydrophobicContact CG2-CD1 3.55Å; I60-F213 HydrophobicContact CG2-CE1 4.38Å; I60-F213 HydrophobicContact CG2-CG 3.85Å; L62-F213 HydrophobicContact CD1-CD1 4.29Å; L62-F213 HydrophobicContact CD2-CB 4.37Å; L62-F213 HydrophobicContact CD2-CD1 3.77Å; L62-F213 HydrophobicContact CG-CD1 3.95Å; L62-F213 HydrophobicContact CG-CE1 4.37Å; P210-F213 HydrophobicContact CB-CD2 4.1Å; P210-F213 HydrophobicContact CG-CD2 4.33Å; P210-F213 PolarHBondContact O-N 2.82Å; I211-F213 PolarHBondContact O-N 3Å; F213-K215 VanDerWaalsContact C-N 3.32Å; F213-K215 PolarHBondContact O-N 2.79Å; F213-T218 VanDerWaalsContact O-CG2 3.28Å; F213-T218 WeakPolarHBondContact O-CG2 2.91Å; F213-T218 PolarHBondContact O-OG1 2.86Å |
| 214 | I | 89.5 | Confident | 93.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -78.8 | 83.8 | 177.4 | -60.6 | 178.8 | 0 | 0 | 0 | 109.4 | F121 F170 L182 V209 P210 I211 | F121-I214 HydrophobicContact CD1-CG2 4.38Å; F121-I214 HydrophobicContact CE1-CG2 3.37Å; F121-I214 HydrophobicContact CZ-CG2 3.95Å; F170-I214 HydrophobicContact CD2-CG2 4.39Å; F170-I214 HydrophobicContact CE2-CB 4.29Å; F170-I214 HydrophobicContact CE2-CG1 4.15Å; F170-I214 HydrophobicContact CE2-CG2 4.03Å; F170-I214 HydrophobicContact CZ-CG2 4.43Å; L182-I214 HydrophobicContact CB-CD1 4.25Å; L182-I214 HydrophobicContact CD1-CG2 3.91Å; V209-I214 HydrophobicContact CB-CD1 4.32Å; V209-I214 HydrophobicContact CB-CG1 4.2Å; V209-I214 HydrophobicContact CG1-CD1 4.44Å; V209-I214 HydrophobicContact CG1-CG1 3.78Å; P210-I214 PolarHBondContact O-N 3.41Å; I211-I214 PolarHBondContact O-N 3.49Å; I211-I214 VanDerWaalsContact O-N 3.07Å | ||
| 215 | K | 87.9 | Confident | 93.7 | Very high | 94 Ų | 94 | 35.4 Ų | 35.4 | 41% | 0.409 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -141.6 | 165.2 | -179.3 | -62.6 | 176.2 | -178.4 | 163.1 | 0 | 111.2 | F170 V178 N212 F213 T218 | F170-K215 WeakPolarHBondContact CB-O 3.31Å; V178-K215 HydrophobicContact CG1-CG 4.34Å; N212-K215 WeakPolarHBondContact O-CE 3.06Å; N212-K215 PolarHBondContact O-NZ 3.06Å; F213-K215 VanDerWaalsContact C-N 3.32Å; F213-K215 PolarHBondContact O-N 2.79Å; K215-T218 WeakPolarHBondContact O-CB 3.3Å; K215-T218 PolarHBondContact O-N 2.97Å; K215-T218 PolarHBondContact O-OG1 2.88Å |
| 216 | S | 90.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 140.1 | 171.2 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | N172 I173 T218 | N172-S216 WeakPolarHBondContact CA-OG 3.37Å; I173-S216 PolarHBondContact N-OG 3.01Å; I173-S216 PolarHBondContact O-OG 3.33Å; S216-T218 VanDerWaalsContact C-N 3.26Å; S216-T218 PolarHBondContact O-N 2.97Å |
| 217 | R | 93.8 | Very high | 93.5 | Very high | 111 Ų | 111 | 40.2 Ų | 40.2 | 42% | 0.419 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 24.7 | 179.1 | -57.4 | 173.4 | 56.8 | -154.2 | -2.7 | 114.9 | D63 Q64 F170 | D63-R217 PolarHBondContact N-O 3.17Å; D63-R217 PolarHBondContact O-NH2 2.78Å; D63-R217 IonicContact OD1-NH1 3.63Å; Q64-R217 PolarHBondContact N-O 3.05Å; F170-R217 WeakPolarHBondContact O-CA 3.4Å; F170-R217 PolarHBondContact O-N 3.47Å |
| 218 | T | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 136.1 | 171.5 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | I60 R61 L62 Y169 F170 F213 K215 S216 V220 | I60-T218 HydrophobicContact CG2-CG2 3.67Å; R61-T218 WeakPolarHBondContact O-CA 3.14Å; L62-T218 HydrophobicContact CD2-CG2 3.85Å; L62-T218 WeakPolarHBondContact CD2-OG1 3.44Å; Y169-T218 WeakPolarHBondContact CA-O 3.48Å; Y169-T218 WeakPolarHBondContact CD2-O 2.98Å; F170-T218 HydrophobicContact CD2-CG2 4.19Å; F170-T218 HydrophobicContact CE2-CG2 4.46Å; F170-T218 PolarHBondContact N-O 3.16Å; F213-T218 VanDerWaalsContact O-CG2 3.28Å; F213-T218 WeakPolarHBondContact O-CG2 2.91Å; F213-T218 PolarHBondContact O-OG1 2.86Å; K215-T218 WeakPolarHBondContact O-CB 3.3Å; K215-T218 PolarHBondContact O-N 2.97Å; K215-T218 PolarHBondContact O-OG1 2.88Å; S216-T218 VanDerWaalsContact C-N 3.26Å; S216-T218 PolarHBondContact O-N 2.97Å; T218-V220 HydrophobicContact CG2-CG2 3.98Å |
| 219 | F | 97.5 | Very high | 93.1 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 13% | 0.127 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.5 | 169.8 | -166.8 | -126.5 | 0 | 0 | 0 | 109.7 | I60 R61 Q64 P67 L168 Y169 E221 | I60-F219 WeakPolarHBondContact CA-O 3.04Å; R61-F219 PolarHBondContact N-O 3.04Å; R61-F219 PolarHBondContact O-N 2.91Å; Q64-F219 HydrophobicContact CB-CB 3.89Å; Q64-F219 HydrophobicContact CG-CB 3.73Å; P67-F219 HydrophobicContact CB-CE2 4.48Å; P67-F219 HydrophobicContact CG-CE2 4.24Å; L168-F219 WeakPolarHBondContact O-CA 3.46Å; Y169-F219 HydrophobicContact CD2-CB 4.18Å; Y169-F219 AromaticContact CD2-CD2 3.95Å; Y169-F219 HydrophobicContact CD2-CD2 3.95Å; Y169-F219 HydrophobicContact CD2-CG 4.49Å; Y169-F219 HydrophobicContact CG-CD2 4.46Å; F219-E221 HydrophobicContact CD1-CG 3.84Å; F219-E221 VanDerWaalsContact CE1-CD 3.41Å; F219-E221 HydrophobicContact CE1-CG 3.44Å; F219-E221 VanDerWaalsContact CE1-CG 3.44Å; F219-E221 HydrophobicContact CZ-CG 4Å |
| 220 | V | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.8 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | Q58 T59 I60 S167 L168 F170 V209 T218 F222 | Q58-V220 HydrophobicContact CG-CG1 4.22Å; T59-V220 CarbonylContact O-C 3.52Å; T59-V220 WeakPolarHBondContact O-CA 3.45Å; I60-V220 HydrophobicContact CG1-CG1 4.23Å; I60-V220 HydrophobicContact CG1-CG2 4.27Å; I60-V220 HydrophobicContact CG2-CG2 4.15Å; S167-V220 CarbonylContact C-O 3.51Å; S167-V220 WeakPolarHBondContact CA-O 3.19Å; L168-V220 HydrophobicContact CB-CB 4.18Å; L168-V220 PolarHBondContact N-O 2.83Å; L168-V220 PolarHBondContact O-N 2.8Å; F170-V220 HydrophobicContact CE2-CG2 4.43Å; V209-V220 HydrophobicContact CG1-CG2 3.86Å; V209-V220 HydrophobicContact CG2-CG1 4.03Å; V209-V220 HydrophobicContact CG2-CG2 4.16Å; T218-V220 HydrophobicContact CG2-CG2 3.98Å; V220-F222 HydrophobicContact CG1-CD2 4.27Å; V220-F222 HydrophobicContact CG1-CE1 4.44Å; V220-F222 HydrophobicContact CG1-CE2 3.62Å; V220-F222 HydrophobicContact CG1-CZ 3.73Å |
| 221 | E | 98.3 | Very high | 92.6 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.4 | 175.9 | -61.7 | 179.4 | 102.1 | 0 | 0 | 109.3 | Q58 T59 R61 K165 M166 F219 | Q58-E221 CarbonylContact C-O 3.58Å; Q58-E221 VanDerWaalsContact CA-O 3.31Å; Q58-E221 WeakPolarHBondContact CA-O 3.33Å; T59-E221 PolarHBondContact N-O 2.56Å; T59-E221 PolarHBondContact O-N 2.7Å; R61-E221 IonicContact CZ-OE2 2.58Å; R61-E221 IonicContact NH1-OE2 3.8Å; R61-E221 PolarHBondContact NH1-OE2 2.78Å; R61-E221 IonicContact NH2-OE2 3.44Å; K165-E221 WeakPolarHBondContact CE-OE1 3.37Å; K165-E221 IonicContact NZ-OE1 3.18Å; K165-E221 PolarHBondContact NZ-OE1 2.93Å; M166-E221 CarbonylContact O-C 3.56Å; M166-E221 WeakPolarHBondContact O-CA 3.49Å; F219-E221 HydrophobicContact CD1-CG 3.84Å; F219-E221 VanDerWaalsContact CE1-CD 3.41Å; F219-E221 HydrophobicContact CE1-CG 3.44Å; F219-E221 VanDerWaalsContact CE1-CG 3.44Å; F219-E221 HydrophobicContact CZ-CG 4Å |
| 222 | F | 98.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.4 | 169.3 | -57.5 | -85.1 | 0 | 0 | 0 | 108.1 | Y56 F57 Q58 K165 M166 I186 I207 V209 V220 | Y56-F222 HydrophobicContact CD1-CB 3.82Å; Y56-F222 HydrophobicContact CE1-CB 4.43Å; Y56-F222 HydrophobicContact CG-CB 4.42Å; F57-F222 CarbonylContact O-C 3.52Å; F57-F222 WeakPolarHBondContact O-CA 3.25Å; Q58-F222 HydrophobicContact CB-CD1 4.2Å; Q58-F222 HydrophobicContact CB-CE1 4.29Å; Q58-F222 HydrophobicContact CG-CD1 4.1Å; Q58-F222 HydrophobicContact CG-CE1 3.83Å; Q58-F222 VanDerWaalsContact NE2-CE1 3.28Å; K165-F222 CarbonylContact C-O 3.59Å; K165-F222 WeakPolarHBondContact CA-O 3.31Å; M166-F222 HydrophobicContact CB-CB 4.39Å; M166-F222 HydrophobicContact CE-CB 3.96Å; M166-F222 PolarHBondContact N-O 3.21Å; M166-F222 PolarHBondContact O-N 2.92Å; I186-F222 HydrophobicContact CD1-CB 4.04Å; I186-F222 HydrophobicContact CD1-CD1 3.48Å; I186-F222 VanDerWaalsContact CD1-CD1 3.48Å; I186-F222 HydrophobicContact CD1-CD2 4.18Å; I186-F222 HydrophobicContact CD1-CE1 3.87Å; I186-F222 HydrophobicContact CD1-CG 3.64Å; I186-F222 HydrophobicContact CD1-CZ 4.38Å; I186-F222 HydrophobicContact CG1-CD1 4.09Å; I186-F222 HydrophobicContact CG1-CE1 3.95Å; I186-F222 HydrophobicContact CG1-CZ 4.29Å; I186-F222 HydrophobicContact CG2-CD2 4.4Å; I186-F222 HydrophobicContact CG2-CE2 4.03Å; I186-F222 HydrophobicContact CG2-CZ 4.14Å; I207-F222 HydrophobicContact CB-CE1 4.23Å; I207-F222 HydrophobicContact CG2-CD1 4.24Å; I207-F222 HydrophobicContact CG2-CE1 3.65Å; V209-F222 HydrophobicContact CG2-CZ 4.19Å; V220-F222 HydrophobicContact CG1-CD2 4.27Å; V220-F222 HydrophobicContact CG1-CE1 4.44Å; V220-F222 HydrophobicContact CG1-CE2 3.62Å; V220-F222 HydrophobicContact CG1-CZ 3.73Å |
| 223 | E | 97.5 | Very high | 93 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.7 | -179.5 | -174.1 | 164.5 | 173.3 | 0 | 0 | 110.2 | Y56 F57 N225 | Y56-E223 CarbonylContact C-O 3.54Å; Y56-E223 VanDerWaalsContact CA-O 3.26Å; Y56-E223 WeakPolarHBondContact CA-O 3.42Å; Y56-E223 VanDerWaalsContact CD1-C 3.47Å; F57-E223 PolarHBondContact N-O 2.84Å; F57-E223 PolarHBondContact O-N 2.71Å; E223-N225 PolarHBondContact O-N 3.24Å |
| 224 | P | 95.6 | Very high | 93 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 16% | 0.156 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 130.1 | 179.1 | -26.4 | 33.9 | 0 | 0 | 0 | 112 | E55 Y56 G164 T226 | E55-P224 WeakPolarHBondContact O-CA 3.48Å; Y56-P224 HydrophobicContact CD1-CG 4.27Å; Y56-P224 HydrophobicContact CE1-CB 4.26Å; Y56-P224 HydrophobicContact CE1-CG 3.65Å; G164-P224 VanDerWaalsContact C-CG 3.45Å; G164-P224 WeakPolarHBondContact O-CD 3.22Å; G164-P224 WeakPolarHBondContact O-CG 3Å; P224-T226 PolarHBondContact O-N 3.32Å; P224-T226 VanDerWaalsContact O-N 3.14Å |
| 225 | N | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -79.7 | 97 | 177.3 | -170.1 | -11.9 | 0 | 0 | 0 | 110 | D52 Y54 E55 F57 E223 E227 S228 | D52-N225 PolarHBondContact OD1-ND2 2.79Å; Y54-N225 WeakPolarHBondContact O-CB 3.37Å; Y54-N225 PolarHBondContact O-ND2 3.36Å; E55-N225 PolarHBondContact O-N 2.86Å; F57-N225 HydrophobicContact CD2-CB 4.14Å; F57-N225 HydrophobicContact CE2-CB 3.88Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.42Å; F57-N225 HydrophobicContact CZ-CB 4.39Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.48Å; E223-N225 PolarHBondContact O-N 3.24Å; N225-E227 PolarHBondContact O-N 2.86Å; N225-E227 VanDerWaalsContact O-N 3.14Å; N225-E227 WeakPolarHBondContact OD1-CB 3.05Å; N225-E227 PolarHBondContact OD1-N 2.86Å; N225-E227 VanDerWaalsContact OD1-N 3.12Å; N225-S228 PolarHBondContact ND2-OG 2.82Å; N225-S228 PolarHBondContact O-N 3.01Å | ||
| 226 | T | 89.5 | Confident | 93.5 | Very high | 79 Ų | 79 | 46.9 Ų | 46.9 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | P224 M231 K232 | P224-T226 PolarHBondContact O-N 3.32Å; P224-T226 VanDerWaalsContact O-N 3.14Å; T226-M231 HydrophobicContact CG2-CE 4.48Å; T226-K232 WeakPolarHBondContact O-CE 3.45Å; T226-K232 PolarHBondContact O-NZ 2.85Å |
| 227 | E | 88.3 | Confident | 93.7 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.7 | 179.4 | -57.4 | -45.4 | 121 | 0 | 0 | 114.2 | N225 K232 | N225-E227 PolarHBondContact O-N 2.86Å; N225-E227 VanDerWaalsContact O-N 3.14Å; N225-E227 WeakPolarHBondContact OD1-CB 3.05Å; N225-E227 PolarHBondContact OD1-N 2.86Å; N225-E227 VanDerWaalsContact OD1-N 3.12Å; E227-K232 VanDerWaalsContact CD-NZ 3.35Å; E227-K232 IonicContact OE1-NZ 2.73Å; E227-K232 PolarHBondContact OE1-NZ 3.18Å; E227-K232 IonicContact OE2-NZ 2.85Å; E227-K232 PolarHBondContact OE2-NZ 3.14Å |
| 228 | S | 89.6 | Confident | 93.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -78.8 | 151.9 | 179.2 | -74.9 | 0 | 0 | 0 | 0 | 113.2 | Y54 N225 F230 M231 | Y54-S228 PolarHBondContact O-OG 3.47Å; N225-S228 PolarHBondContact ND2-OG 2.82Å; N225-S228 PolarHBondContact O-N 3.01Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 VanDerWaalsContact CB-CE1 3.4Å; S228-F230 PolarHBondContact O-N 2.59Å; S228-M231 WeakPolarHBondContact O-CB 3.33Å; S228-M231 PolarHBondContact O-N 2.94Å |
| 229 | C | 92.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -50.7 | -50.6 | -172.7 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | M231 K232 C248 C257 | C229-M231 PolarHBondContact O-N 3.03Å; C229-K232 WeakPolarHBondContact O-CB 3.42Å; C229-K232 PolarHBondContact O-N 2.82Å; C229-C248 VanDerWaalsContact CA-SG 3.51Å; C229-C248 HydrophobicContact CB-CB 3.74Å; C229-C248 WeakPolarHBondContact CB-SG 3.44Å; C229-C248 WeakPolarHBondContact SG-CA 3.14Å; C229-C248 WeakPolarHBondContact SG-CB 3.47Å; C229-C248 CovalentContact SG-SG 2.02Å; C229-C248 PolarHBondContact SG-SG 3.12Å; C229-C257 WeakPolarHBondContact O-CB 3.47Å; C229-C257 PolarHBondContact O-SG 3.34Å |
| 230 | F | 89 | Confident | 93.5 | Very high | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -60.7 | -16.4 | -177.1 | 76.7 | -80.6 | 0 | 0 | 0 | 114.6 | E55 S228 D262 H264 | E55-F230 HydrophobicContact CB-CE1 4Å; E55-F230 HydrophobicContact CB-CZ 3.93Å; E55-F230 HydrophobicContact CG-CD1 4.17Å; E55-F230 HydrophobicContact CG-CE1 3.47Å; E55-F230 VanDerWaalsContact CG-CE1 3.47Å; E55-F230 HydrophobicContact CG-CZ 3.71Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 VanDerWaalsContact CB-CE1 3.4Å; S228-F230 PolarHBondContact O-N 2.59Å; F230-D262 HydrophobicContact CB-CB 4.37Å; F230-H264 PolarHBondContact O-CE1 3.01Å |
| 231 | M | 90.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 29% | 0.286 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -86.2 | -15.1 | 177 | -67.2 | -64.3 | -73.5 | 0 | 0 | 113.2 | T226 S228 C229 | T226-M231 HydrophobicContact CG2-CE 4.48Å; S228-M231 WeakPolarHBondContact O-CB 3.33Å; S228-M231 PolarHBondContact O-N 2.94Å; C229-M231 PolarHBondContact O-N 3.03Å |
| 232 | K | 93.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | trans | -83.6 | 134.3 | -175.5 | -53.7 | -51.1 | -169.5 | -172.9 | 0 | 111.1 | T226 E227 C229 T237 C238 A241 C257 | T226-K232 WeakPolarHBondContact O-CE 3.45Å; T226-K232 PolarHBondContact O-NZ 2.85Å; E227-K232 VanDerWaalsContact CD-NZ 3.35Å; E227-K232 IonicContact OE1-NZ 2.73Å; E227-K232 PolarHBondContact OE1-NZ 3.18Å; E227-K232 IonicContact OE2-NZ 2.85Å; E227-K232 PolarHBondContact OE2-NZ 3.14Å; C229-K232 WeakPolarHBondContact O-CB 3.42Å; C229-K232 PolarHBondContact O-N 2.82Å; K232-T237 WeakPolarHBondContact CG-O 3.49Å; K232-C238 HydrophobicContact CB-CB 4.21Å; K232-A241 HydrophobicContact CD-CB 4.24Å; K232-A241 HydrophobicContact CG-CB 3.73Å; K232-C257 HydrophobicContact CB-CB 3.96Å; K232-C257 WeakPolarHBondContact O-CB 3.06Å | ||
| 233 | V | 92.4 | Very high | 92.3 | Very high | 128 Ų | 128 | 55.1 Ų | 55.1 | 78% | 0.776 | 30% | 0.297 | S | S | * | . | trans | -112.5 | 1.8 | -170.6 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | W250 | V233-W250 VanDerWaalsContact C-CH2 3.49Å; V233-W250 WeakPolarHBondContact O-CH2 3.47Å | ||
| 234 | S | 93.6 | Very high | 91.6 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -135.2 | 156.9 | 172.8 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | E236 T237 C238 W250 | S234-E236 PolarHBondContact O-N 3.28Å; S234-T237 PolarHBondContact N-OG1 3.14Å; S234-T237 PolarHBondContact O-N 3.43Å; S234-T237 PolarHBondContact O-OG1 3.42Å; S234-T237 VanDerWaalsContact O-OG1 3.1Å; S234-T237 WeakPolarHBondContact OG-CB 3.48Å; S234-T237 VanDerWaalsContact OG-CG2 3.31Å; S234-T237 WeakPolarHBondContact OG-CG2 3.13Å; S234-T237 PolarHBondContact OG-N 3.29Å; S234-T237 PolarHBondContact OG-OG1 3.01Å; S234-C238 WeakPolarHBondContact O-CB 3.22Å; S234-C238 PolarHBondContact O-N 2.94Å; S234-W250 VanDerWaalsContact C-CZ3 3.45Å |
| 235 | D | 93.7 | Very high | 90.9 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.7 | -50.5 | 177.2 | -172.1 | 9.5 | 0 | 0 | 0 | 111.8 | T237 C238 L239 W250 | D235-T237 PolarHBondContact O-N 2.56Å; D235-C238 VanDerWaalsContact O-CB 3.26Å; D235-C238 WeakPolarHBondContact O-CB 3.34Å; D235-C238 PolarHBondContact O-N 3.07Å; D235-C238 VanDerWaalsContact O-N 3.13Å; D235-L239 WeakPolarHBondContact O-CG 3.4Å; D235-L239 PolarHBondContact O-N 3.3Å; D235-L239 WeakPolarHBondContact OD1-CD1 3.46Å; D235-W250 HydrophobicContact CB-CB 4.19Å; D235-W250 HydrophobicContact CB-CD2 3.99Å; D235-W250 HydrophobicContact CB-CG 3.73Å; D235-W250 WeakPolarHBondContact OD1-CB 3.42Å |
| 236 | E | 93.8 | Very high | 90.4 | Very high | 141 Ų | 141 | 60 Ų | 60 | 66% | 0.659 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.1 | -49.4 | 179.4 | -175.7 | -179.2 | -177.2 | 0 | 0 | 112.4 | S234 C238 L239 N240 | S234-E236 PolarHBondContact O-N 3.28Å; E236-C238 PolarHBondContact O-N 3.31Å; E236-L239 PolarHBondContact O-N 2.91Å; E236-N240 WeakPolarHBondContact O-CB 3.35Å; E236-N240 VanDerWaalsContact O-CG 3.23Å; E236-N240 PolarHBondContact O-N 2.85Å; E236-N240 PolarHBondContact O-ND2 3.01Å |
| 237 | T | 94.9 | Very high | 90.5 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.1 | -29.5 | 179.3 | 59 | 0 | 0 | 0 | 0 | 112 | K232 S234 D235 A241 | K232-T237 WeakPolarHBondContact CG-O 3.49Å; S234-T237 PolarHBondContact N-OG1 3.14Å; S234-T237 PolarHBondContact O-N 3.43Å; S234-T237 PolarHBondContact O-OG1 3.42Å; S234-T237 VanDerWaalsContact O-OG1 3.1Å; S234-T237 WeakPolarHBondContact OG-CB 3.48Å; S234-T237 VanDerWaalsContact OG-CG2 3.31Å; S234-T237 WeakPolarHBondContact OG-CG2 3.13Å; S234-T237 PolarHBondContact OG-N 3.29Å; S234-T237 PolarHBondContact OG-OG1 3.01Å; D235-T237 PolarHBondContact O-N 2.56Å; T237-A241 WeakPolarHBondContact O-CB 3.41Å; T237-A241 PolarHBondContact O-N 3.11Å |
| 238 | C | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -52.1 | 175 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | K232 S234 D235 E236 N240 A241 C248 H249 W250 C257 | K232-C238 HydrophobicContact CB-CB 4.21Å; S234-C238 WeakPolarHBondContact O-CB 3.22Å; S234-C238 PolarHBondContact O-N 2.94Å; D235-C238 VanDerWaalsContact O-CB 3.26Å; D235-C238 WeakPolarHBondContact O-CB 3.34Å; D235-C238 PolarHBondContact O-N 3.07Å; D235-C238 VanDerWaalsContact O-N 3.13Å; E236-C238 PolarHBondContact O-N 3.31Å; C238-N240 VanDerWaalsContact C-N 3.34Å; C238-N240 PolarHBondContact O-N 3.15Å; C238-A241 WeakPolarHBondContact O-CB 3.44Å; C238-A241 PolarHBondContact O-N 3.46Å; C238-C248 WeakPolarHBondContact O-CB 3.07Å; C238-H249 PolarHBondContact SG-O 3.43Å; C238-H249 VanDerWaalsContact SG-O 3.33Å; C238-W250 HydrophobicContact CB-CB 4.49Å; C238-W250 HydrophobicContact CB-CE3 3.73Å; C238-W250 HydrophobicContact CB-CZ3 4.41Å; C238-W250 PolarHBondContact SG-N 2.82Å; C238-C257 WeakPolarHBondContact CA-SG 3.5Å; C238-C257 HydrophobicContact CB-CB 3.48Å; C238-C257 VanDerWaalsContact CB-CB 3.48Å; C238-C257 WeakPolarHBondContact CB-SG 3.12Å; C238-C257 VanDerWaalsContact SG-CA 3.51Å; C238-C257 WeakPolarHBondContact SG-CB 3.41Å; C238-C257 CovalentContact SG-SG 2.01Å; C238-C257 PolarHBondContact SG-SG 3.14Å |
| 239 | L | 94.2 | Very high | 91 | Very high | 84 Ų | 84 | 59.5 Ų | 59.5 | 44% | 0.44 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | -178.8 | -64.2 | 176.7 | 0 | 0 | 0 | 111.1 | D235 E236 A241 S242 | D235-L239 WeakPolarHBondContact O-CG 3.4Å; D235-L239 PolarHBondContact O-N 3.3Å; D235-L239 WeakPolarHBondContact OD1-CD1 3.46Å; E236-L239 PolarHBondContact O-N 2.91Å; L239-A241 PolarHBondContact O-N 3.27Å; L239-S242 VanDerWaalsContact O-CB 3.23Å; L239-S242 WeakPolarHBondContact O-CB 3.45Å; L239-S242 PolarHBondContact O-N 2.62Å; L239-S242 VanDerWaalsContact O-N 3.09Å; L239-S242 PolarHBondContact O-OG 3.27Å |
| 240 | N | 93.3 | Very high | 91.1 | Very high | 124 Ų | 124 | 60.5 Ų | 60.5 | 66% | 0.663 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.3 | -22.1 | 177.1 | -70 | -15.7 | 0 | 0 | 0 | 113.6 | E236 C238 S242 | E236-N240 WeakPolarHBondContact O-CB 3.35Å; E236-N240 VanDerWaalsContact O-CG 3.23Å; E236-N240 PolarHBondContact O-N 2.85Å; E236-N240 PolarHBondContact O-ND2 3.01Å; C238-N240 VanDerWaalsContact C-N 3.34Å; C238-N240 PolarHBondContact O-N 3.15Å; N240-S242 PolarHBondContact O-N 3.25Å |
| 241 | A | 92.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K232 T237 C238 L239 K243 | K232-A241 HydrophobicContact CD-CB 4.24Å; K232-A241 HydrophobicContact CG-CB 3.73Å; T237-A241 WeakPolarHBondContact O-CB 3.41Å; T237-A241 PolarHBondContact O-N 3.11Å; C238-A241 WeakPolarHBondContact O-CB 3.44Å; C238-A241 PolarHBondContact O-N 3.46Å; L239-A241 PolarHBondContact O-N 3.27Å; A241-K243 PolarHBondContact O-N 2.85Å |
| 242 | S | 91 | Very high | 91.5 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | trans | -61.2 | 126 | 177.9 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | L239 N240 M246 C248 | L239-S242 VanDerWaalsContact O-CB 3.23Å; L239-S242 WeakPolarHBondContact O-CB 3.45Å; L239-S242 PolarHBondContact O-N 2.62Å; L239-S242 VanDerWaalsContact O-N 3.09Å; L239-S242 PolarHBondContact O-OG 3.27Å; N240-S242 PolarHBondContact O-N 3.25Å; S242-M246 CarbonylContact C-O 3.56Å; S242-M246 WeakPolarHBondContact CA-O 3.34Å; S242-C248 PolarHBondContact OG-N 2.98Å; S242-C248 PolarHBondContact OG-O 3.26Å | ||
| 243 | K | 85.2 | Confident | 91.5 | Very high | 56 Ų | 56 | 65.6 Ų | 65.6 | 24% | 0.243 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -104.7 | 159.6 | 172.6 | -58.3 | -180 | -173.5 | 170.8 | 0 | 109.6 | D52 A241 D245 M246 | D52-K243 IonicContact OD2-NZ 3.46Å; D52-K243 PolarHBondContact OD2-NZ 2.85Å; A241-K243 PolarHBondContact O-N 2.85Å; K243-D245 VanDerWaalsContact CB-OD1 3.26Å; K243-D245 WeakPolarHBondContact CB-OD1 3.49Å; K243-D245 PolarHBondContact O-N 3.06Å; K243-M246 HydrophobicContact CB-CB 4.46Å; K243-M246 PolarHBondContact N-O 3.23Å; K243-M246 CarbonylContact O-C 3.22Å; K243-M246 VanDerWaalsContact O-C 3.22Å; K243-M246 PolarHBondContact O-N 2.88Å; K243-M246 VanDerWaalsContact O-O 3.11Å |
| 244 | P | 83.1 | Confident | 91.5 | Very high | 146 Ų | 146 | 60.8 Ų | 60.8 | 95% | 0.948 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -30.7 | 177.8 | -28.4 | 35.9 | 0 | 0 | 0 | 114.4 | ||
| 245 | D | 80.1 | Confident | 91.5 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4.7 | -179.9 | 58 | -27.9 | 0 | 0 | 0 | 114.2 | Y38 K243 | Y38-D245 WeakPolarHBondContact CE2-OD2 3.38Å; Y38-D245 VanDerWaalsContact CZ-OD2 3.27Å; Y38-D245 PolarHBondContact OH-OD2 2.88Å; K243-D245 VanDerWaalsContact CB-OD1 3.26Å; K243-D245 WeakPolarHBondContact CB-OD1 3.49Å; K243-D245 PolarHBondContact O-N 3.06Å |
| 246 | M | 83.2 | Confident | 91.5 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -148.7 | 96 | -180 | -175.9 | 177.6 | 69.9 | 0 | 0 | 110.6 | Y54 S242 K243 C248 N259 | Y54-M246 HydrophobicContact CD1-SD 3.65Å; Y54-M246 HydrophobicContact CE1-CB 4.14Å; Y54-M246 HydrophobicContact CE1-CG 4.33Å; Y54-M246 HydrophobicContact CE1-SD 3.77Å; Y54-M246 HydrophobicContact CG-SD 4.36Å; S242-M246 CarbonylContact C-O 3.56Å; S242-M246 WeakPolarHBondContact CA-O 3.34Å; K243-M246 HydrophobicContact CB-CB 4.46Å; K243-M246 PolarHBondContact N-O 3.23Å; K243-M246 CarbonylContact O-C 3.22Å; K243-M246 VanDerWaalsContact O-C 3.22Å; K243-M246 PolarHBondContact O-N 2.88Å; K243-M246 VanDerWaalsContact O-O 3.11Å; M246-C248 PolarHBondContact O-N 3.37Å; M246-N259 HydrophobicContact CG-CB 3.81Å; M246-N259 HydrophobicContact SD-CB 4.38Å; M246-N259 PolarHBondContact SD-ND2 2.98Å |
| 247 | K | 91.5 | Very high | 91.6 | Very high | 124 Ų | 124 | 55 Ų | 55 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | trans | -78.2 | 121.2 | 173.1 | -166.2 | 173.4 | -178.6 | -177.2 | 0 | 109.7 | N259 | K247-N259 WeakPolarHBondContact O-CA 3.47Å; K247-N259 WeakPolarHBondContact O-CB 3.41Å | ||
| 248 | C | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -89 | 145.9 | 171 | -56.7 | 0 | 0 | 0 | 0 | 108.8 | C229 C238 S242 M246 | C229-C248 VanDerWaalsContact CA-SG 3.51Å; C229-C248 HydrophobicContact CB-CB 3.74Å; C229-C248 WeakPolarHBondContact CB-SG 3.44Å; C229-C248 WeakPolarHBondContact SG-CA 3.14Å; C229-C248 WeakPolarHBondContact SG-CB 3.47Å; C229-C248 CovalentContact SG-SG 2.02Å; C229-C248 PolarHBondContact SG-SG 3.12Å; C238-C248 WeakPolarHBondContact O-CB 3.07Å; S242-C248 PolarHBondContact OG-N 2.98Å; S242-C248 PolarHBondContact OG-O 3.26Å; M246-C248 PolarHBondContact O-N 3.37Å | ||
| 249 | H | 95.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.2 | 162.2 | -28.5 | -125.3 | 0 | 0 | 0 | 111.4 | C238 S258 W268 N277 | C238-H249 PolarHBondContact SG-O 3.43Å; C238-H249 VanDerWaalsContact SG-O 3.33Å; H249-S258 PolarHBondContact N-O 3.31Å; H249-S258 PolarHBondContact O-N 2.94Å; H249-S258 VanDerWaalsContact O-O 3.13Å; H249-W268 HydrophobicContact CB-CH2 3.82Å; H249-W268 WeakPolarHBondContact O-CH2 3.43Å; H249-W268 VanDerWaalsContact O-CZ3 3.27Å; H249-W268 WeakPolarHBondContact O-CZ3 3.36Å; H249-N277 WeakPolarHBondContact CB-ND2 3.41Å |
| 250 | W | 95.3 | Very high | 90.9 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.8 | 174.7 | -170.4 | -114.3 | 0 | 0 | 0 | 109.9 | V233 S234 D235 C238 N255 L256 C257 N277 | V233-W250 VanDerWaalsContact C-CH2 3.49Å; V233-W250 WeakPolarHBondContact O-CH2 3.47Å; S234-W250 VanDerWaalsContact C-CZ3 3.45Å; D235-W250 HydrophobicContact CB-CB 4.19Å; D235-W250 HydrophobicContact CB-CD2 3.99Å; D235-W250 HydrophobicContact CB-CG 3.73Å; D235-W250 WeakPolarHBondContact OD1-CB 3.42Å; C238-W250 HydrophobicContact CB-CB 4.49Å; C238-W250 HydrophobicContact CB-CE3 3.73Å; C238-W250 HydrophobicContact CB-CZ3 4.41Å; C238-W250 PolarHBondContact SG-N 2.82Å; W250-N255 WeakPolarHBondContact CZ2-OD1 3.39Å; W250-L256 VanDerWaalsContact CE3-C 3.48Å; W250-L256 VanDerWaalsContact CZ3-C 3.5Å; W250-C257 HydrophobicContact CE3-CB 3.79Å; W250-C257 HydrophobicContact CZ3-CB 3.91Å; W250-N277 PolarHBondContact O-ND2 3.37Å; W250-N277 VanDerWaalsContact O-ND2 3.09Å; W250-N277 PolarHBondContact O-OD1 3.35Å; W250-N277 VanDerWaalsContact O-OD1 3.12Å |
| 251 | C | 95 | Very high | 90.6 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 101.1 | 168.4 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | T253 A254 N255 L256 W268 C273 | C251-T253 VanDerWaalsContact C-N 3.3Å; C251-T253 PolarHBondContact O-N 2.96Å; C251-A254 HydrophobicContact CB-CB 4.13Å; C251-A254 CarbonylContact O-C 3.59Å; C251-A254 PolarHBondContact O-N 3.46Å; C251-N255 WeakPolarHBondContact O-CA 3.41Å; C251-N255 PolarHBondContact O-N 2.91Å; C251-L256 HydrophobicContact CB-CD1 4.34Å; C251-L256 PolarHBondContact N-O 3.13Å; C251-L256 PolarHBondContact O-N 3.49Å; C251-W268 HydrophobicContact CB-CE3 3.83Å; C251-W268 HydrophobicContact CB-CZ3 3.79Å; C251-C273 HydrophobicContact CB-CB 3.6Å; C251-C273 WeakPolarHBondContact CB-SG 3.31Å; C251-C273 WeakPolarHBondContact SG-CB 3.35Å; C251-C273 CovalentContact SG-SG 2.01Å; C251-C273 PolarHBondContact SG-SG 3.41Å |
| 252 | L | 92.5 | Very high | 90.5 | Very high | 127 Ų | 127 | 49.9 Ų | 49.9 | 67% | 0.665 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -42.8 | -179 | -174.2 | 65.9 | 0 | 0 | 0 | 112.6 | A254 N255 | L252-A254 VanDerWaalsContact C-N 3.3Å; L252-A254 PolarHBondContact O-N 2.83Å; L252-N255 PolarHBondContact O-N 2.9Å |
| 253 | T | 92.4 | Very high | 90.4 | Very high | 84 Ų | 84 | 48 Ų | 48 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -32.9 | -178.2 | -48.9 | 0 | 0 | 0 | 0 | 112.6 | C251 N271 N276 | C251-T253 VanDerWaalsContact C-N 3.3Å; C251-T253 PolarHBondContact O-N 2.96Å; T253-N271 HydrophobicContact CG2-CB 4.19Å; T253-N276 PolarHBondContact OG1-ND2 2.99Å |
| 254 | A | 92.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -8.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C251 L252 L256 N271 | C251-A254 HydrophobicContact CB-CB 4.13Å; C251-A254 CarbonylContact O-C 3.59Å; C251-A254 PolarHBondContact O-N 3.46Å; L252-A254 VanDerWaalsContact C-N 3.3Å; L252-A254 PolarHBondContact O-N 2.83Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-L256 HydrophobicContact CB-CD2 3.67Å; A254-L256 HydrophobicContact CB-CG 3.75Å; A254-L256 PolarHBondContact O-N 3.26Å; A254-N271 HydrophobicContact CB-CB 3.89Å; A254-N271 WeakPolarHBondContact CB-ND2 3.44Å |
| 255 | N | 93.8 | Very high | 90.9 | Very high | 117 Ų | 117 | 40.4 Ų | 40.4 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.9 | -173.9 | -164.2 | 56.4 | 0 | 0 | 0 | 113.4 | W250 C251 L252 | W250-N255 WeakPolarHBondContact CZ2-OD1 3.39Å; C251-N255 WeakPolarHBondContact O-CA 3.41Å; C251-N255 PolarHBondContact O-N 2.91Å; L252-N255 PolarHBondContact O-N 2.9Å |
| 256 | L | 94.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.8 | -179.5 | 65 | 81.6 | 0 | 0 | 0 | 111.9 | W250 C251 A254 H264 A267 W268 | W250-L256 VanDerWaalsContact CE3-C 3.48Å; W250-L256 VanDerWaalsContact CZ3-C 3.5Å; C251-L256 HydrophobicContact CB-CD1 4.34Å; C251-L256 PolarHBondContact N-O 3.13Å; C251-L256 PolarHBondContact O-N 3.49Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-L256 HydrophobicContact CB-CD2 3.67Å; A254-L256 HydrophobicContact CB-CG 3.75Å; A254-L256 PolarHBondContact O-N 3.26Å; L256-H264 HydrophobicContact CD1-CB 3.8Å; L256-H264 HydrophobicContact CD2-CB 4.28Å; L256-A267 HydrophobicContact CD2-CB 3.49Å; L256-A267 VanDerWaalsContact CD2-CB 3.49Å; L256-W268 HydrophobicContact CD1-CE3 4.06Å |
| 257 | C | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 140.6 | 170.5 | -175 | 0 | 0 | 0 | 0 | 110.8 | C229 K232 C238 W250 H264 | C229-C257 WeakPolarHBondContact O-CB 3.47Å; C229-C257 PolarHBondContact O-SG 3.34Å; K232-C257 HydrophobicContact CB-CB 3.96Å; K232-C257 WeakPolarHBondContact O-CB 3.06Å; C238-C257 WeakPolarHBondContact CA-SG 3.5Å; C238-C257 HydrophobicContact CB-CB 3.48Å; C238-C257 VanDerWaalsContact CB-CB 3.48Å; C238-C257 WeakPolarHBondContact CB-SG 3.12Å; C238-C257 VanDerWaalsContact SG-CA 3.51Å; C238-C257 WeakPolarHBondContact SG-CB 3.41Å; C238-C257 CovalentContact SG-SG 2.01Å; C238-C257 PolarHBondContact SG-SG 3.14Å; W250-C257 HydrophobicContact CE3-CB 3.79Å; W250-C257 HydrophobicContact CZ3-CB 3.91Å; C257-H264 PolarHBondContact O-ND1 3.48Å |
| 258 | S | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 154.7 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | H249 G260 D262 W268 | H249-S258 PolarHBondContact N-O 3.31Å; H249-S258 PolarHBondContact O-N 2.94Å; H249-S258 VanDerWaalsContact O-O 3.13Å; S258-G260 VanDerWaalsContact C-N 3.28Å; S258-G260 PolarHBondContact OG-N 3.05Å; S258-D262 WeakPolarHBondContact CA-OD2 3.48Å; S258-D262 WeakPolarHBondContact CB-OD1 3.26Å; S258-D262 PolarHBondContact OG-OD1 3.45Å; S258-D262 PolarHBondContact OG-OD2 2.95Å; S258-D262 VanDerWaalsContact OG-OD2 3.11Å; S258-W268 VanDerWaalsContact CB-CE3 3.48Å |
| 259 | N | 89.5 | Confident | 90.9 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | trans | -87.9 | 6 | 164 | 67 | 15 | 0 | 0 | 0 | 112.8 | M246 K247 R261 D262 | M246-N259 HydrophobicContact CG-CB 3.81Å; M246-N259 HydrophobicContact SD-CB 4.38Å; M246-N259 PolarHBondContact SD-ND2 2.98Å; K247-N259 WeakPolarHBondContact O-CA 3.47Å; K247-N259 WeakPolarHBondContact O-CB 3.41Å; N259-R261 PolarHBondContact O-N 3.24Å; N259-R261 WeakPolarHBondContact OD1-CA 3.31Å; N259-R261 PolarHBondContact OD1-N 3.13Å; N259-D262 PolarHBondContact N-OD2 2.89Å; N259-D262 WeakPolarHBondContact OD1-CB 3.05Å; N259-D262 PolarHBondContact OD1-N 3.49Å; N259-D262 PolarHBondContact OD1-OD2 2.97Å | ||
| 260 | G | 87.5 | Confident | 90.4 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 79.3 | -9.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S258 S265 | S258-G260 VanDerWaalsContact C-N 3.28Å; S258-G260 PolarHBondContact OG-N 3.05Å; G260-S265 WeakPolarHBondContact O-CB 2.99Å; G260-S265 PolarHBondContact O-OG 2.01Å |
| 261 | R | 86.9 | Confident | 90.1 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 47% | 0.468 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -125.9 | -2.9 | -178.6 | -67.2 | -170.6 | -68.5 | -165.7 | -0.2 | 114.2 | V36 Y204 N259 | V36-R261 HydrophobicContact CG2-CB 4.14Å; Y204-R261 WeakPolarHBondContact CE2-O 3.32Å; N259-R261 PolarHBondContact O-N 3.24Å; N259-R261 WeakPolarHBondContact OD1-CA 3.31Å; N259-R261 PolarHBondContact OD1-N 3.13Å |
| 262 | D | 89.8 | Confident | 89.7 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -80.2 | -172.4 | 175.3 | 59.5 | 35.7 | 0 | 0 | 0 | 112.7 | Y204 F230 S258 N259 H264 S265 | Y204-D262 WeakPolarHBondContact OH-CA 3.26Å; F230-D262 HydrophobicContact CB-CB 4.37Å; S258-D262 WeakPolarHBondContact CA-OD2 3.48Å; S258-D262 WeakPolarHBondContact CB-OD1 3.26Å; S258-D262 PolarHBondContact OG-OD1 3.45Å; S258-D262 PolarHBondContact OG-OD2 2.95Å; S258-D262 VanDerWaalsContact OG-OD2 3.11Å; N259-D262 PolarHBondContact N-OD2 2.89Å; N259-D262 WeakPolarHBondContact OD1-CB 3.05Å; N259-D262 PolarHBondContact OD1-N 3.49Å; N259-D262 PolarHBondContact OD1-OD2 2.97Å; D262-H264 PolarHBondContact O-N 3.2Å; D262-H264 WeakPolarHBondContact OD1-CA 3.44Å; D262-H264 WeakPolarHBondContact OD1-CB 3.41Å; D262-H264 PolarHBondContact OD1-N 2.87Å; D262-S265 WeakPolarHBondContact O-CB 3.27Å; D262-S265 PolarHBondContact O-N 2.83Å |
| 263 | T | 89.2 | Confident | 89.6 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15 | -179 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | Y92 Y188 Y204 | Y92-T263 HydrophobicContact CD1-CG2 4.44Å; Y92-T263 PolarHBondContact O-OG1 2.87Å; Y188-T263 HydrophobicContact CD1-CG2 4.03Å; Y188-T263 HydrophobicContact CD2-CG2 4.14Å; Y188-T263 HydrophobicContact CE1-CG2 4.2Å; Y188-T263 HydrophobicContact CE2-CG2 4.3Å; Y188-T263 HydrophobicContact CG-CG2 4Å; Y204-T263 HydrophobicContact CD1-CG2 4.35Å; Y204-T263 HydrophobicContact CE1-CG2 4.25Å |
| 264 | H | 90.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.4 | 172.5 | -67.3 | 166.6 | 0 | 0 | 0 | 114.2 | F230 L256 C257 D262 K266 A267 W268 | F230-H264 PolarHBondContact O-CE1 3.01Å; L256-H264 HydrophobicContact CD1-CB 3.8Å; L256-H264 HydrophobicContact CD2-CB 4.28Å; C257-H264 PolarHBondContact O-ND1 3.48Å; D262-H264 PolarHBondContact O-N 3.2Å; D262-H264 WeakPolarHBondContact OD1-CA 3.44Å; D262-H264 WeakPolarHBondContact OD1-CB 3.41Å; D262-H264 PolarHBondContact OD1-N 2.87Å; H264-K266 PolarHBondContact O-N 2.82Å; H264-A267 PolarHBondContact O-N 3.33Å; H264-W268 WeakPolarHBondContact O-CB 3.05Å; H264-W268 PolarHBondContact O-N 3.46Å |
| 265 | S | 88 | Confident | 88.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.1 | -30.7 | -176.5 | -172.9 | 0 | 0 | 0 | 0 | 113.7 | T29 G260 D262 W268 M269 | T29-S265 WeakPolarHBondContact CG2-OG 2.93Å; G260-S265 WeakPolarHBondContact O-CB 2.99Å; G260-S265 PolarHBondContact O-OG 2.01Å; D262-S265 WeakPolarHBondContact O-CB 3.27Å; D262-S265 PolarHBondContact O-N 2.83Å; S265-W268 WeakPolarHBondContact O-CB 3.4Å; S265-W268 PolarHBondContact O-N 3.3Å; S265-M269 WeakPolarHBondContact O-CG 3.2Å; S265-M269 PolarHBondContact O-N 3.47Å |
| 266 | K | 84.8 | Confident | 87.3 | Confident | 99 Ų | 99 | 41.2 Ų | 41.2 | 43% | 0.43 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.9 | -56.6 | 172.9 | -157.1 | 171.6 | 172.5 | 174.8 | 0 | 112.1 | Y190 H264 W268 M269 I270 | Y190-K266 HydrophobicContact CE2-CB 4.39Å; Y190-K266 WeakPolarHBondContact OH-CA 3.39Å; Y190-K266 WeakPolarHBondContact OH-CB 3.27Å; Y190-K266 VanDerWaalsContact OH-CG 3.3Å; Y190-K266 WeakPolarHBondContact OH-CG 2.95Å; Y190-K266 PolarHBondContact OH-N 3.32Å; H264-K266 PolarHBondContact O-N 2.82Å; K266-W268 VanDerWaalsContact C-N 3.26Å; K266-W268 PolarHBondContact O-N 3.06Å; K266-M269 PolarHBondContact O-N 2.01Å; K266-I270 HydrophobicContact CG-CD1 3.88Å; K266-I270 VanDerWaalsContact O-CG1 3.31Å; K266-I270 WeakPolarHBondContact O-CG1 3.47Å; K266-I270 PolarHBondContact O-N 3.14Å |
| 267 | A | 88.5 | Confident | 85.9 | Confident | 31 Ų | 31 | 41 Ų | 41 | 26% | 0.256 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.9 | -34.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110 | L256 H264 N271 | L256-A267 HydrophobicContact CD2-CB 3.49Å; L256-A267 VanDerWaalsContact CD2-CB 3.49Å; H264-A267 PolarHBondContact O-N 3.33Å; A267-N271 WeakPolarHBondContact O-CB 3.12Å; A267-N271 PolarHBondContact O-N 3.39Å; A267-N271 PolarHBondContact O-ND2 3.18Å |
| 268 | W | 88.8 | Confident | 84.2 | Confident | 11 Ų | 11 | 47 Ų | 47 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -49.2 | 172.6 | -172.7 | -93.6 | 0 | 0 | 0 | 112.8 | H249 C251 L256 S258 H264 S265 K266 N272 C273 S274 N277 | H249-W268 HydrophobicContact CB-CH2 3.82Å; H249-W268 WeakPolarHBondContact O-CH2 3.43Å; H249-W268 VanDerWaalsContact O-CZ3 3.27Å; H249-W268 WeakPolarHBondContact O-CZ3 3.36Å; C251-W268 HydrophobicContact CB-CE3 3.83Å; C251-W268 HydrophobicContact CB-CZ3 3.79Å; L256-W268 HydrophobicContact CD1-CE3 4.06Å; S258-W268 VanDerWaalsContact CB-CE3 3.48Å; H264-W268 WeakPolarHBondContact O-CB 3.05Å; H264-W268 PolarHBondContact O-N 3.46Å; S265-W268 WeakPolarHBondContact O-CB 3.4Å; S265-W268 PolarHBondContact O-N 3.3Å; K266-W268 VanDerWaalsContact C-N 3.26Å; K266-W268 PolarHBondContact O-N 3.06Å; W268-N272 PolarHBondContact O-N 2.02Å; W268-C273 HydrophobicContact CD2-CB 3.4Å; W268-C273 HydrophobicContact CE3-CB 3.61Å; W268-C273 HydrophobicContact CG-CB 3.88Å; W268-C273 HydrophobicContact CH2-CB 4.32Å; W268-C273 HydrophobicContact CZ2-CB 4.04Å; W268-C273 HydrophobicContact CZ3-CB 4.09Å; W268-C273 WeakPolarHBondContact O-CB 3.38Å; W268-C273 PolarHBondContact O-N 3.09Å; W268-C273 VanDerWaalsContact O-N 3.07Å; W268-C273 PolarHBondContact O-SG 3.43Å; W268-S274 PolarHBondContact NE1-OG 3.34Å; W268-N277 VanDerWaalsContact CH2-ND2 3.26Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.34Å |
| 269 | M | 85.3 | Confident | 82.5 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.8 | -42.6 | -178.4 | -68 | -172.7 | -176.3 | 0 | 0 | 112.2 | F28 T29 H32 S265 K266 N271 N272 | F28-M269 HydrophobicContact CD1-CE 3.63Å; F28-M269 HydrophobicContact CD1-SD 3.49Å; F28-M269 WeakPolarHBondContact CD1-SD 3.26Å; F28-M269 HydrophobicContact CE1-CE 3.72Å; F28-M269 HydrophobicContact CE1-SD 4.08Å; T29-M269 WeakPolarHBondContact CA-SD 3.13Å; T29-M269 VanDerWaalsContact CB-SD 3.57Å; T29-M269 HydrophobicContact CG2-CE 4.09Å; T29-M269 HydrophobicContact CG2-SD 3.86Å; T29-M269 PolarHBondContact OG1-SD 2.82Å; H32-M269 HydrophobicContact CB-CE 4.04Å; S265-M269 WeakPolarHBondContact O-CG 3.2Å; S265-M269 PolarHBondContact O-N 3.47Å; K266-M269 PolarHBondContact O-N 2.01Å; M269-N271 PolarHBondContact O-N 3.18Å; M269-N272 PolarHBondContact O-N 3.4Å |
| 270 | I | 85.9 | Confident | 81 | Confident | 100 Ų | 100 | 57.1 Ų | 57.1 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -38 | 178.1 | -71.1 | 166.9 | 0 | 0 | 0 | 111.4 | K266 N272 | K266-I270 HydrophobicContact CG-CD1 3.88Å; K266-I270 VanDerWaalsContact O-CG1 3.31Å; K266-I270 WeakPolarHBondContact O-CG1 3.47Å; K266-I270 PolarHBondContact O-N 3.14Å; I270-N272 VanDerWaalsContact C-N 3.3Å |
| 271 | N | 88.4 | Confident | 79.6 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 9.2 | 179.4 | -68.8 | -78.7 | 0 | 0 | 0 | 113.5 | T253 A254 A267 M269 C273 | T253-N271 HydrophobicContact CG2-CB 4.19Å; A254-N271 HydrophobicContact CB-CB 3.89Å; A254-N271 WeakPolarHBondContact CB-ND2 3.44Å; A267-N271 WeakPolarHBondContact O-CB 3.12Å; A267-N271 PolarHBondContact O-N 3.39Å; A267-N271 PolarHBondContact O-ND2 3.18Å; M269-N271 PolarHBondContact O-N 3.18Å; N271-C273 PolarHBondContact O-N 3.48Å; N271-C273 VanDerWaalsContact O-N 3.13Å |
| 272 | N | 87.2 | Confident | 78.1 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35.1 | 175.5 | -171.2 | 47.5 | 0 | 0 | 0 | 113.1 | W268 M269 I270 S274 K275 N276 | W268-N272 PolarHBondContact O-N 2.02Å; M269-N272 PolarHBondContact O-N 3.4Å; I270-N272 VanDerWaalsContact C-N 3.3Å; N272-S274 VanDerWaalsContact C-N 3.27Å; N272-S274 PolarHBondContact O-N 3.1Å; N272-K275 PolarHBondContact O-N 3.31Å; N272-K275 VanDerWaalsContact OD1-CD 3.3Å; N272-K275 WeakPolarHBondContact OD1-CD 3.38Å; N272-K275 WeakPolarHBondContact OD1-CG 3.3Å; N272-N276 PolarHBondContact O-N 3.44Å |
| 273 | C | 90.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.1 | -32.1 | -171.9 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | C251 W268 N271 K275 N276 N277 | C251-C273 HydrophobicContact CB-CB 3.6Å; C251-C273 WeakPolarHBondContact CB-SG 3.31Å; C251-C273 WeakPolarHBondContact SG-CB 3.35Å; C251-C273 CovalentContact SG-SG 2.01Å; C251-C273 PolarHBondContact SG-SG 3.41Å; W268-C273 HydrophobicContact CD2-CB 3.4Å; W268-C273 HydrophobicContact CE3-CB 3.61Å; W268-C273 HydrophobicContact CG-CB 3.88Å; W268-C273 HydrophobicContact CH2-CB 4.32Å; W268-C273 HydrophobicContact CZ2-CB 4.04Å; W268-C273 HydrophobicContact CZ3-CB 4.09Å; W268-C273 WeakPolarHBondContact O-CB 3.38Å; W268-C273 PolarHBondContact O-N 3.09Å; W268-C273 VanDerWaalsContact O-N 3.07Å; W268-C273 PolarHBondContact O-SG 3.43Å; N271-C273 PolarHBondContact O-N 3.48Å; N271-C273 VanDerWaalsContact O-N 3.13Å; C273-K275 VanDerWaalsContact C-N 3.34Å; C273-K275 PolarHBondContact O-N 3.13Å; C273-N276 PolarHBondContact O-N 2.76Å; C273-N277 WeakPolarHBondContact O-CB 3.46Å; C273-N277 PolarHBondContact O-N 2.94Å |
| 274 | S | 83.6 | Confident | 75.2 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 46% | 0.462 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | W268 N272 M278 | W268-S274 PolarHBondContact NE1-OG 3.34Å; N272-S274 VanDerWaalsContact C-N 3.27Å; N272-S274 PolarHBondContact O-N 3.1Å; S274-M278 VanDerWaalsContact O-CG 3.3Å; S274-M278 WeakPolarHBondContact O-CG 3.42Å; S274-M278 PolarHBondContact O-N 2.9Å |
| 275 | K | 76.6 | Confident | 73.5 | Confident | 130 Ų | 130 | 72.9 Ų | 72.9 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.5 | -38.8 | 179.8 | -66.8 | -171.1 | -168.4 | 165.9 | 0 | 111.7 | N272 C273 M278 Q279 | N272-K275 PolarHBondContact O-N 3.31Å; N272-K275 VanDerWaalsContact OD1-CD 3.3Å; N272-K275 WeakPolarHBondContact OD1-CD 3.38Å; N272-K275 WeakPolarHBondContact OD1-CG 3.3Å; C273-K275 VanDerWaalsContact C-N 3.34Å; C273-K275 PolarHBondContact O-N 3.13Å; K275-M278 PolarHBondContact O-N 2.73Å; K275-Q279 WeakPolarHBondContact O-CG 3.39Å; K275-Q279 PolarHBondContact O-N 3.3Å; K275-Q279 VanDerWaalsContact O-N 3.1Å |
| 276 | N | 68.8 | Low | 72.1 | Confident | 51 Ų | 51 | 79.6 Ų | 79.6 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | -179.5 | -67.3 | -5.5 | 0 | 0 | 0 | 110.9 | T253 N272 C273 Q279 M280 | T253-N276 PolarHBondContact OG1-ND2 2.99Å; N272-N276 PolarHBondContact O-N 3.44Å; C273-N276 PolarHBondContact O-N 2.76Å; N276-Q279 WeakPolarHBondContact O-CB 3.23Å; N276-Q279 PolarHBondContact O-N 3.43Å; N276-Q279 VanDerWaalsContact O-N 3.16Å; N276-M280 WeakPolarHBondContact O-CG 3.3Å; N276-M280 PolarHBondContact O-N 2.99Å |
| 277 | N | 65.6 | Low | 70.6 | Confident | 15 Ų | 15 | 80.8 Ų | 80.8 | 8% | 0.08 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 178.3 | -68.9 | -13.5 | 0 | 0 | 0 | 112.2 | H249 W250 W268 C273 Q279 M280 D281 | H249-N277 WeakPolarHBondContact CB-ND2 3.41Å; W250-N277 PolarHBondContact O-ND2 3.37Å; W250-N277 VanDerWaalsContact O-ND2 3.09Å; W250-N277 PolarHBondContact O-OD1 3.35Å; W250-N277 VanDerWaalsContact O-OD1 3.12Å; W268-N277 VanDerWaalsContact CH2-ND2 3.26Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.34Å; C273-N277 WeakPolarHBondContact O-CB 3.46Å; C273-N277 PolarHBondContact O-N 2.94Å; N277-Q279 PolarHBondContact O-N 3.26Å; N277-M280 PolarHBondContact O-N 3.14Å; N277-D281 PolarHBondContact O-N 2.98Å |
| 278 | M | 60 | Low | 69.3 | Low | 127 Ų | 127 | 83.9 Ų | 83.9 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.3 | -29.6 | 170.8 | -70.6 | -178.4 | 103.3 | 0 | 0 | 113.2 | S274 K275 K282 | S274-M278 VanDerWaalsContact O-CG 3.3Å; S274-M278 WeakPolarHBondContact O-CG 3.42Å; S274-M278 PolarHBondContact O-N 2.9Å; K275-M278 PolarHBondContact O-N 2.73Å; M278-K282 VanDerWaalsContact O-CG 3.31Å; M278-K282 WeakPolarHBondContact O-CG 3.48Å; M278-K282 PolarHBondContact O-N 3Å |
| 279 | Q | 57.1 | Low | 67.9 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 62% | 0.621 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -77.3 | -36.7 | 174.9 | -74.1 | 179.5 | -0.2 | 0 | 0 | 112.1 | K275 N276 N277 K282 K283 | K275-Q279 WeakPolarHBondContact O-CG 3.39Å; K275-Q279 PolarHBondContact O-N 3.3Å; K275-Q279 VanDerWaalsContact O-N 3.1Å; N276-Q279 WeakPolarHBondContact O-CB 3.23Å; N276-Q279 PolarHBondContact O-N 3.43Å; N276-Q279 VanDerWaalsContact O-N 3.16Å; N277-Q279 PolarHBondContact O-N 3.26Å; Q279-K282 PolarHBondContact O-N 3.01Å; Q279-K283 WeakPolarHBondContact O-CB 3.43Å; Q279-K283 PolarHBondContact O-N 3.3Å |
| 280 | M | 57.6 | Low | 66.7 | Low | 104 Ų | 104 | 94.3 Ų | 94.3 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 175.3 | -72.4 | -177.3 | 70.8 | 0 | 0 | 111.6 | N276 N277 K282 K283 S284 | N276-M280 WeakPolarHBondContact O-CG 3.3Å; N276-M280 PolarHBondContact O-N 2.99Å; N277-M280 PolarHBondContact O-N 3.14Å; M280-K282 VanDerWaalsContact C-N 3.33Å; M280-K282 PolarHBondContact O-N 3.29Å; M280-K283 PolarHBondContact O-N 3.45Å; M280-S284 PolarHBondContact O-N 3.21Å |
| 281 | D | 59.1 | Low | 65.3 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 176.2 | -72.5 | -12 | 0 | 0 | 0 | 110.9 | N277 K283 S284 E285 | N277-D281 PolarHBondContact O-N 2.98Å; D281-K283 VanDerWaalsContact C-N 3.29Å; D281-K283 PolarHBondContact O-N 3.36Å; D281-S284 PolarHBondContact O-N 3.09Å; D281-E285 WeakPolarHBondContact O-CG 3.32Å; D281-E285 PolarHBondContact O-N 3.12Å |
| 282 | K | 55.3 | Low | 63.7 | Low | 139 Ų | 139 | 96.2 Ų | 96.2 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.3 | -33.5 | 175.1 | -74.7 | 177.4 | -178.5 | -177.7 | 0 | 113.4 | M278 Q279 M280 Q286 | M278-K282 VanDerWaalsContact O-CG 3.31Å; M278-K282 WeakPolarHBondContact O-CG 3.48Å; M278-K282 PolarHBondContact O-N 3Å; Q279-K282 PolarHBondContact O-N 3.01Å; M280-K282 VanDerWaalsContact C-N 3.33Å; M280-K282 PolarHBondContact O-N 3.29Å; K282-Q286 WeakPolarHBondContact O-CB 3.1Å; K282-Q286 VanDerWaalsContact O-CG 3.31Å; K282-Q286 WeakPolarHBondContact O-CG 3.37Å; K282-Q286 PolarHBondContact O-N 3.1Å |
| 283 | K | 58.9 | Low | 62.2 | Low | 137 Ų | 137 | 98.9 Ų | 98.9 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.7 | -38.4 | 179.1 | -165.7 | 178.6 | -180 | -175.3 | 0 | 111.3 | Q279 M280 D281 Q286 M287 | Q279-K283 WeakPolarHBondContact O-CB 3.43Å; Q279-K283 PolarHBondContact O-N 3.3Å; M280-K283 PolarHBondContact O-N 3.45Å; D281-K283 VanDerWaalsContact C-N 3.29Å; D281-K283 PolarHBondContact O-N 3.36Å; K283-Q286 PolarHBondContact O-N 3.06Å; K283-M287 WeakPolarHBondContact O-CG 3.31Å; K283-M287 PolarHBondContact O-N 2.94Å |
| 284 | S | 58.7 | Low | 60.3 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 173.1 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | M280 D281 Q286 M287 D288 | M280-S284 PolarHBondContact O-N 3.21Å; D281-S284 PolarHBondContact O-N 3.09Å; S284-Q286 PolarHBondContact O-N 3.27Å; S284-M287 CarbonylContact O-C 3.59Å; S284-M287 WeakPolarHBondContact O-CA 3.46Å; S284-M287 WeakPolarHBondContact O-CB 3.32Å; S284-M287 PolarHBondContact O-N 3.19Å; S284-D288 PolarHBondContact O-N 3.28Å |
| 285 | E | 56.1 | Low | 58.6 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.4 | -34.2 | 176.7 | -75 | -178.8 | -169.4 | 0 | 0 | 112.7 | D281 K289 | D281-E285 WeakPolarHBondContact O-CG 3.32Å; D281-E285 PolarHBondContact O-N 3.12Å; E285-K289 WeakPolarHBondContact O-CB 3.49Å; E285-K289 VanDerWaalsContact O-CG 3.23Å; E285-K289 WeakPolarHBondContact O-CG 3.47Å; E285-K289 PolarHBondContact O-N 2.93Å; E285-K289 VanDerWaalsContact O-N 3.11Å |
| 286 | Q | 57.7 | Low | 57.2 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.2 | -34.1 | 174.2 | -80.9 | -178.8 | -5.3 | 0 | 0 | 112.8 | K282 K283 S284 K290 | K282-Q286 WeakPolarHBondContact O-CB 3.1Å; K282-Q286 VanDerWaalsContact O-CG 3.31Å; K282-Q286 WeakPolarHBondContact O-CG 3.37Å; K282-Q286 PolarHBondContact O-N 3.1Å; K283-Q286 PolarHBondContact O-N 3.06Å; S284-Q286 PolarHBondContact O-N 3.27Å; Q286-K290 VanDerWaalsContact O-CB 3.23Å; Q286-K290 WeakPolarHBondContact O-CB 3.31Å; Q286-K290 PolarHBondContact O-N 3.4Å; Q286-K290 VanDerWaalsContact O-N 3.08Å |
| 287 | M | 52.7 | Low | 56.3 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.5 | -42.6 | 175.8 | -77 | 177.3 | 126.9 | 0 | 0 | 111.4 | K283 S284 K290 S291 | K283-M287 WeakPolarHBondContact O-CG 3.31Å; K283-M287 PolarHBondContact O-N 2.94Å; S284-M287 CarbonylContact O-C 3.59Å; S284-M287 WeakPolarHBondContact O-CA 3.46Å; S284-M287 WeakPolarHBondContact O-CB 3.32Å; S284-M287 PolarHBondContact O-N 3.19Å; M287-K290 CarbonylContact O-C 3.55Å; M287-K290 PolarHBondContact O-N 3.28Å; M287-K290 VanDerWaalsContact O-N 3.11Å; M287-S291 PolarHBondContact O-N 3.13Å |
| 288 | D | 60.8 | Low | 55.2 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.2 | -46.1 | 176.3 | -63.2 | -32.7 | 0 | 0 | 0 | 111 | S284 K290 S291 E292 | S284-D288 PolarHBondContact O-N 3.28Å; D288-K290 PolarHBondContact O-N 3.33Å; D288-S291 PolarHBondContact O-N 3.48Å; D288-S291 VanDerWaalsContact O-N 3.17Å; D288-E292 PolarHBondContact O-N 3.31Å |
| 289 | K | 60.3 | Low | 54.4 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.1 | -31.4 | 173.3 | -75.4 | 173.5 | -176.6 | 168.1 | 0 | 113 | E285 Q293 | E285-K289 WeakPolarHBondContact O-CB 3.49Å; E285-K289 VanDerWaalsContact O-CG 3.23Å; E285-K289 WeakPolarHBondContact O-CG 3.47Å; E285-K289 PolarHBondContact O-N 2.93Å; E285-K289 VanDerWaalsContact O-N 3.11Å; K289-Q293 VanDerWaalsContact O-CB 3.29Å; K289-Q293 WeakPolarHBondContact O-CB 3.44Å; K289-Q293 PolarHBondContact O-N 3.43Å |
| 290 | K | 60.8 | Low | 53.6 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 56% | 0.557 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.4 | -33.5 | 177.6 | -166.1 | 177.6 | -179 | -173.2 | 0 | 111.8 | Q286 M287 D288 Q293 M294 | Q286-K290 VanDerWaalsContact O-CB 3.23Å; Q286-K290 WeakPolarHBondContact O-CB 3.31Å; Q286-K290 PolarHBondContact O-N 3.4Å; Q286-K290 VanDerWaalsContact O-N 3.08Å; M287-K290 CarbonylContact O-C 3.55Å; M287-K290 PolarHBondContact O-N 3.28Å; M287-K290 VanDerWaalsContact O-N 3.11Å; D288-K290 PolarHBondContact O-N 3.33Å; K290-Q293 PolarHBondContact O-N 2.92Å; K290-M294 HydrophobicContact CG-CE 4.37Å; K290-M294 WeakPolarHBondContact O-CB 3.37Å; K290-M294 WeakPolarHBondContact O-CG 3.44Å; K290-M294 PolarHBondContact O-N 3.4Å |
| 291 | S | 56.6 | Low | 52.5 | Low | 65 Ų | 65 | 123.8 Ų | 123.8 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.7 | -49 | 171.9 | -164.2 | 0 | 0 | 0 | 0 | 110.6 | M287 D288 Q293 M294 D295 | M287-S291 PolarHBondContact O-N 3.13Å; D288-S291 PolarHBondContact O-N 3.48Å; D288-S291 VanDerWaalsContact O-N 3.17Å; S291-Q293 VanDerWaalsContact C-N 3.26Å; S291-Q293 PolarHBondContact O-N 2.95Å; S291-M294 PolarHBondContact O-N 3.15Å; S291-D295 PolarHBondContact O-N 3.31Å |
| 292 | E | 54.7 | Low | 51.6 | Low | 125 Ų | 125 | 126.3 Ų | 126.3 | 58% | 0.584 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.6 | -33.1 | 174.4 | -73.8 | -174.6 | 165.8 | 0 | 0 | 112.6 | D288 K296 | D288-E292 PolarHBondContact O-N 3.31Å; E292-K296 WeakPolarHBondContact O-CB 3.43Å; E292-K296 WeakPolarHBondContact O-CG 3.35Å; E292-K296 PolarHBondContact O-N 3.37Å |
| 293 | Q | 55.9 | Low | 50.8 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 58% | 0.584 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.8 | -24.7 | 172.5 | -95.5 | -172.8 | -24.5 | 0 | 0 | 113.9 | K289 K290 S291 K297 | K289-Q293 VanDerWaalsContact O-CB 3.29Å; K289-Q293 WeakPolarHBondContact O-CB 3.44Å; K289-Q293 PolarHBondContact O-N 3.43Å; K290-Q293 PolarHBondContact O-N 2.92Å; S291-Q293 VanDerWaalsContact C-N 3.26Å; S291-Q293 PolarHBondContact O-N 2.95Å; Q293-K297 WeakPolarHBondContact O-CB 3.44Å; Q293-K297 WeakPolarHBondContact O-CG 3.46Å; Q293-K297 PolarHBondContact O-N 3.46Å |
| 294 | M | 48.5 | Very low | 49.8 | Very low | 125 Ų | 125 | 130 Ų | 130 | 62% | 0.616 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.3 | -38.8 | 175.3 | -81.4 | 179.6 | 177 | 0 | 0 | 111.1 | K290 S291 K296 K297 | K290-M294 HydrophobicContact CG-CE 4.37Å; K290-M294 WeakPolarHBondContact O-CB 3.37Å; K290-M294 WeakPolarHBondContact O-CG 3.44Å; K290-M294 PolarHBondContact O-N 3.4Å; S291-M294 PolarHBondContact O-N 3.15Å; M294-K296 VanDerWaalsContact C-N 3.3Å; M294-K296 PolarHBondContact O-N 3.26Å; M294-K297 PolarHBondContact O-N 3.47Å |
| 295 | D | 48.2 | Very low | 49 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69 | -27.8 | 174.2 | -71.2 | -29.4 | 0 | 0 | 0 | 112.6 | S291 | S291-D295 PolarHBondContact O-N 3.31Å |
| 296 | K | 48.5 | Very low | 48 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 73% | 0.726 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -3.8 | 173.5 | -71.5 | 179.3 | -179.5 | 171.4 | 0 | 114.7 | E292 M294 | E292-K296 WeakPolarHBondContact O-CB 3.43Å; E292-K296 WeakPolarHBondContact O-CG 3.35Å; E292-K296 PolarHBondContact O-N 3.37Å; M294-K296 VanDerWaalsContact C-N 3.3Å; M294-K296 PolarHBondContact O-N 3.26Å |
| 297 | K | 49.6 | Very low | 47.4 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 60% | 0.596 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -105.7 | 1.8 | -179.5 | -99.7 | -176.9 | 165.1 | 179.3 | 0 | 115.3 | Q293 M294 D299 | Q293-K297 WeakPolarHBondContact O-CB 3.44Å; Q293-K297 WeakPolarHBondContact O-CG 3.46Å; Q293-K297 PolarHBondContact O-N 3.46Å; M294-K297 PolarHBondContact O-N 3.47Å; K297-D299 PolarHBondContact O-N 3.13Å |
| 298 | S | 42.4 | Very low | 47.3 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -67.1 | -20 | 167.8 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 299 | D | 42.1 | Very low | 46.8 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -107.7 | 132.2 | 165.4 | -65.4 | -45 | 0 | 0 | 0 | 108.7 | K297 | K297-D299 PolarHBondContact O-N 3.13Š|
| 300 | Q | 41.3 | Very low | 46.3 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | 91 | 91.3 | 173.3 | -146.9 | 169.8 | -16.1 | 0 | 0 | 116.9 | ||||
| 301 | K | 33.7 | Very low | 46.1 | Very low | 180 Ų | 180 | 147 Ų | 147 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -65 | 144.4 | 165.8 | -150.9 | -174 | 173.4 | 178.3 | 0 | 111.3 | ||||
| 302 | D | 39.9 | Very low | 46.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | 91.3 | 125 | 156.8 | -57.5 | -37.1 | 0 | 0 | 0 | 121.9 | ||||
| 303 | N | 39.5 | Very low | 46.1 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | 82.7 | 113.1 | 155.5 | -62.2 | -23.3 | 0 | 0 | 0 | 121.3 | ||||
| 304 | K | 38.4 | Very low | 46.4 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -124.5 | 135.8 | 173.5 | -174 | -174.7 | -172.6 | -175.7 | 0 | 109.7 | ||||
| 305 | P | 40.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -104.3 | 161.4 | 162.1 | 29.7 | -16.3 | 0 | 0 | 0 | 113.2 | ||||
| 306 | M | 36.8 | Very low | 48 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 84% | 0.837 | 71% | 0.711 | S | S | * | * | trans | -96.6 | 115.8 | -159.1 | 177 | -161.2 | -105.9 | 0 | 0 | 111.3 | ||||
| 307 | F | 44.2 | Very low | 49.2 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -147.5 | 96.7 | 166 | -87.9 | -82.3 | 0 | 0 | 0 | 110.3 | ||||
| 308 | N | 49.8 | Very low | 50.4 | Low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -160.8 | 4.4 | 161.9 | -108.8 | -6.3 | 0 | 0 | 0 | 115.4 | ||||
| 309 | Y | 50.6 | Low | 51.8 | Low | 185 Ų | 185 | 134.3 Ų | 134.3 | 73% | 0.725 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -88.8 | -13.3 | -178.9 | -99.5 | -86.8 | 0 | 0 | 0 | 114.9 | ||
| 310 | L | 50.8 | Low | 53.5 | Low | 127 Ų | 127 | 134.2 Ų | 134.2 | 67% | 0.665 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75.1 | -32 | -174.7 | -124.1 | 89.7 | 0 | 0 | 0 | 113.9 | V312 I314 | L310-V312 PolarHBondContact O-N 3.48Å; L310-I314 WeakPolarHBondContact O-CD1 3.38Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å |
| 311 | Y | 55.7 | Low | 55.3 | Low | 209 Ų | 209 | 129.7 Ų | 129.7 | 82% | 0.82 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.3 | -17.8 | -173.7 | -101.3 | -86.6 | 0 | 0 | 0 | 114.6 | P315 | Y311-P315 WeakPolarHBondContact O-CD 3.23Å |
| 312 | V | 56.3 | Low | 57.6 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -93.7 | -29.5 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | L310 | L310-V312 PolarHBondContact O-N 3.48Å |
| 313 | L | 56.3 | Low | 59.6 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 56% | 0.56 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.5 | -33 | -178.4 | -77.4 | 165.5 | 0 | 0 | 0 | 113 | S316 V317 | L313-S316 PolarHBondContact O-N 3.46Å; L313-V317 WeakPolarHBondContact O-CG2 3.31Å; L313-V317 PolarHBondContact O-N 2.93Å |
| 314 | I | 62.1 | Low | 61.6 | Low | 96 Ų | 96 | 117.8 Ų | 117.8 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.7 | -47.5 | -173.6 | -63.1 | 167.6 | 0 | 0 | 0 | 112.9 | L310 S316 V317 I318 | L310-I314 WeakPolarHBondContact O-CD1 3.38Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; I314-S316 VanDerWaalsContact C-N 3.32Å; I314-S316 PolarHBondContact O-N 3.4Å; I314-V317 PolarHBondContact O-N 3.23Å; I314-I318 HydrophobicContact CG2-CD1 4.06Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; I314-I318 PolarHBondContact O-N 3.05Å |
| 315 | P | 63 | Low | 63.8 | Low | 83 Ų | 83 | 112.6 Ų | 112.6 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.7 | -30.6 | -179.4 | -20 | 33.1 | 0 | 0 | 0 | 113.5 | Y311 I318 G319 | Y311-P315 WeakPolarHBondContact O-CD 3.23Å; P315-I318 PolarHBondContact O-N 3.45Å; P315-G319 PolarHBondContact O-N 3.49Å; P315-G319 VanDerWaalsContact O-N 3.13Å |
| 316 | S | 67.1 | Low | 65.9 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 52% | 0.517 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.7 | -40.8 | -179.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | L313 I314 G319 L320 | L313-S316 PolarHBondContact O-N 3.46Å; I314-S316 VanDerWaalsContact C-N 3.32Å; I314-S316 PolarHBondContact O-N 3.4Å; S316-G319 PolarHBondContact O-N 3.16Å; S316-L320 PolarHBondContact O-N 2.95Å |
| 317 | V | 72.5 | Confident | 68.1 | Low | 88 Ų | 88 | 107.6 Ų | 107.6 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L313 I314 G319 L320 V321 | L313-V317 WeakPolarHBondContact O-CG2 3.31Å; L313-V317 PolarHBondContact O-N 2.93Å; I314-V317 PolarHBondContact O-N 3.23Å; V317-G319 PolarHBondContact O-N 3.32Å; V317-L320 PolarHBondContact O-N 3.37Å; V317-V321 WeakPolarHBondContact O-CG2 3.23Å; V317-V321 PolarHBondContact O-N 3.48Å; V317-V321 VanDerWaalsContact O-N 3.15Å |
| 318 | I | 74.8 | Confident | 70 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.6 | -41.4 | 178.6 | -63.4 | 169.1 | 0 | 0 | 0 | 111 | I314 P315 L320 V321 V322 | I314-I318 HydrophobicContact CG2-CD1 4.06Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; I314-I318 PolarHBondContact O-N 3.05Å; P315-I318 PolarHBondContact O-N 3.45Å; I318-L320 PolarHBondContact O-N 3.34Å; I318-V321 PolarHBondContact O-N 3.46Å; I318-V322 WeakPolarHBondContact O-CG2 3.5Å; I318-V322 PolarHBondContact O-N 2.85Å; I318-V322 VanDerWaalsContact O-N 3.13Å |
| 319 | G | 73.3 | Confident | 71.6 | Confident | 39 Ų | 39 | 100.1 Ų | 100.1 | 40% | 0.402 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.2 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | P315 S316 V317 V321 V322 V323 | P315-G319 PolarHBondContact O-N 3.49Å; P315-G319 VanDerWaalsContact O-N 3.13Å; S316-G319 PolarHBondContact O-N 3.16Å; V317-G319 PolarHBondContact O-N 3.32Å; G319-V321 VanDerWaalsContact C-N 3.35Å; G319-V321 PolarHBondContact O-N 3.38Å; G319-V322 PolarHBondContact O-N 3.33Å; G319-V323 WeakPolarHBondContact O-CG2 3.42Å; G319-V323 PolarHBondContact O-N 3.04Å; G319-V323 VanDerWaalsContact O-N 3.14Å |
| 320 | L | 76.8 | Confident | 73.2 | Confident | 128 Ų | 128 | 99.3 Ų | 99.3 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -36 | 178.3 | -75.4 | 170.2 | 0 | 0 | 0 | 112.7 | S316 V317 I318 G324 | S316-L320 PolarHBondContact O-N 2.95Å; V317-L320 PolarHBondContact O-N 3.37Å; I318-L320 PolarHBondContact O-N 3.34Å; L320-G324 PolarHBondContact O-N 3.2Å |
| 321 | V | 79.9 | Confident | 74.7 | Confident | 89 Ų | 89 | 99.2 Ų | 99.2 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V317 I318 G319 V323 G324 V325 | V317-V321 WeakPolarHBondContact O-CG2 3.23Å; V317-V321 PolarHBondContact O-N 3.48Å; V317-V321 VanDerWaalsContact O-N 3.15Å; I318-V321 PolarHBondContact O-N 3.46Å; G319-V321 VanDerWaalsContact C-N 3.35Å; G319-V321 PolarHBondContact O-N 3.38Å; V321-V323 PolarHBondContact O-N 2.94Å; V321-G324 PolarHBondContact O-N 3.32Å; V321-V325 HydrophobicContact CG1-CG2 4.34Å; V321-V325 VanDerWaalsContact O-CG2 3.32Å; V321-V325 WeakPolarHBondContact O-CG2 3.34Å; V321-V325 PolarHBondContact O-N 3.39Å |
| 322 | V | 82.5 | Confident | 75.9 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 61% | 0.606 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 179.5 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | I318 G319 G326 | I318-V322 WeakPolarHBondContact O-CG2 3.5Å; I318-V322 PolarHBondContact O-N 2.85Å; I318-V322 VanDerWaalsContact O-N 3.13Å; G319-V322 PolarHBondContact O-N 3.33Å; V322-G326 PolarHBondContact O-N 2.98Å |
| 323 | V | 81.8 | Confident | 77.2 | Confident | 86 Ų | 86 | 96.4 Ų | 96.4 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 111 | G319 V321 G326 F327 | G319-V323 WeakPolarHBondContact O-CG2 3.42Å; G319-V323 PolarHBondContact O-N 3.04Å; G319-V323 VanDerWaalsContact O-N 3.14Å; V321-V323 PolarHBondContact O-N 2.94Å; V323-G326 PolarHBondContact O-N 3.08Å; V323-F327 HydrophobicContact CG1-CD2 3.96Å; V323-F327 HydrophobicContact CG1-CE2 4.18Å; V323-F327 PolarHBondContact O-N 3.18Å |
| 324 | G | 81.2 | Confident | 78.3 | Confident | 32 Ų | 32 | 94 Ų | 94 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L320 V321 F327 I328 | L320-G324 PolarHBondContact O-N 3.2Å; V321-G324 PolarHBondContact O-N 3.32Å; G324-F327 PolarHBondContact O-N 3.37Å; G324-I328 WeakPolarHBondContact O-CG1 3.34Å; G324-I328 PolarHBondContact O-N 3.11Å |
| 325 | V | 85 | Confident | 79 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 111 | V321 F327 I328 V329 | V321-V325 HydrophobicContact CG1-CG2 4.34Å; V321-V325 VanDerWaalsContact O-CG2 3.32Å; V321-V325 WeakPolarHBondContact O-CG2 3.34Å; V321-V325 PolarHBondContact O-N 3.39Å; V325-F327 VanDerWaalsContact C-N 3.34Å; V325-F327 PolarHBondContact O-N 3.47Å; V325-I328 PolarHBondContact O-N 2.92Å; V325-V329 HydrophobicContact CG1-CG2 4.31Å; V325-V329 WeakPolarHBondContact O-CG2 3.49Å; V325-V329 PolarHBondContact O-N 2.95Å |
| 326 | G | 82.9 | Confident | 79.5 | Confident | 41 Ų | 41 | 103 Ų | 103 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V322 V323 W330 | V322-G326 PolarHBondContact O-N 2.98Å; V323-G326 PolarHBondContact O-N 3.08Å; G326-W330 WeakPolarHBondContact O-CB 3.29Å; G326-W330 PolarHBondContact O-N 3.48Å |
| 327 | F | 84 | Confident | 79.3 | Confident | 135 Ų | 135 | 108.9 Ų | 108.9 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -40.7 | 176.1 | -99.5 | -82.2 | 0 | 0 | 0 | 112.9 | V323 G324 V325 W330 F331 | V323-F327 HydrophobicContact CG1-CD2 3.96Å; V323-F327 HydrophobicContact CG1-CE2 4.18Å; V323-F327 PolarHBondContact O-N 3.18Å; G324-F327 PolarHBondContact O-N 3.37Å; V325-F327 VanDerWaalsContact C-N 3.34Å; V325-F327 PolarHBondContact O-N 3.47Å; F327-W330 HydrophobicContact CD1-CE3 4.24Å; F327-W330 HydrophobicContact CE1-CE3 4.37Å; F327-W330 HydrophobicContact CE1-CZ3 4.33Å; F327-W330 PolarHBondContact O-N 3.11Å; F327-F331 VanDerWaalsContact O-CB 3.31Å; F327-F331 WeakPolarHBondContact O-CB 3.49Å; F327-F331 PolarHBondContact O-N 3.26Å |
| 328 | I | 83.2 | Confident | 79.6 | Confident | 108 Ų | 108 | 109.9 Ų | 109.9 | 55% | 0.554 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66 | -44.8 | 178.4 | -67.2 | 166.6 | 0 | 0 | 0 | 110.6 | G324 V325 W330 F331 W332 | G324-I328 WeakPolarHBondContact O-CG1 3.34Å; G324-I328 PolarHBondContact O-N 3.11Å; V325-I328 PolarHBondContact O-N 2.92Å; I328-W330 VanDerWaalsContact C-N 3.35Å; I328-F331 PolarHBondContact O-N 2.86Å; I328-W332 WeakPolarHBondContact O-CB 3.18Å; I328-W332 PolarHBondContact O-N 3.17Å |
| 329 | V | 84.4 | Confident | 79.9 | Confident | 78 Ų | 78 | 110.3 Ų | 110.3 | 47% | 0.473 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.9 | -43.6 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | V325 W332 L333 | V325-V329 HydrophobicContact CG1-CG2 4.31Å; V325-V329 WeakPolarHBondContact O-CG2 3.49Å; V325-V329 PolarHBondContact O-N 2.95Å; V329-W332 PolarHBondContact O-N 2.81Å; V329-L333 HydrophobicContact CG1-CD1 3.9Å; V329-L333 HydrophobicContact CG1-CG 4.44Å; V329-L333 WeakPolarHBondContact O-CB 3.44Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.44Å; V329-L333 PolarHBondContact O-N 3.2Å |
| 330 | W | 82.9 | Confident | 80.2 | Confident | 167 Ų | 167 | 114.2 Ų | 114.2 | 63% | 0.633 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.2 | -43.2 | 177.1 | -178.9 | 64.3 | 0 | 0 | 0 | 112.5 | G326 F327 I328 W332 L333 S334 | G326-W330 WeakPolarHBondContact O-CB 3.29Å; G326-W330 PolarHBondContact O-N 3.48Å; F327-W330 HydrophobicContact CD1-CE3 4.24Å; F327-W330 HydrophobicContact CE1-CE3 4.37Å; F327-W330 HydrophobicContact CE1-CZ3 4.33Å; F327-W330 PolarHBondContact O-N 3.11Å; I328-W330 VanDerWaalsContact C-N 3.35Å; W330-W332 PolarHBondContact O-N 3.03Å; W330-L333 PolarHBondContact O-N 3.45Å; W330-S334 PolarHBondContact O-N 3.29Å |
| 331 | F | 82.9 | Confident | 80.4 | Confident | 125 Ų | 125 | 113.4 Ų | 113.4 | 55% | 0.548 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.3 | -36.2 | 176.8 | -169.6 | -96.6 | 0 | 0 | 0 | 112.5 | F327 I328 S334 K335 | F327-F331 VanDerWaalsContact O-CB 3.31Å; F327-F331 WeakPolarHBondContact O-CB 3.49Å; F327-F331 PolarHBondContact O-N 3.26Å; I328-F331 PolarHBondContact O-N 2.86Å; F331-S334 PolarHBondContact O-OG 2.87Å; F331-K335 PolarHBondContact O-N 2.98Å |
| 332 | W | 80.6 | Confident | 80.5 | Confident | 154 Ų | 154 | 114.9 Ų | 114.9 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.8 | -38.1 | 174.1 | -110.5 | 85.4 | 0 | 0 | 0 | 112.7 | I328 V329 W330 | I328-W332 WeakPolarHBondContact O-CB 3.18Å; I328-W332 PolarHBondContact O-N 3.17Å; V329-W332 PolarHBondContact O-N 2.81Å; W330-W332 PolarHBondContact O-N 3.03Å |
| 333 | L | 83.2 | Confident | 80.3 | Confident | 110 Ų | 110 | 115.9 Ų | 115.9 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.5 | -37.6 | 176.8 | -71.9 | 171.8 | 0 | 0 | 0 | 111.9 | V329 W330 K335 R336 | V329-L333 HydrophobicContact CG1-CD1 3.9Å; V329-L333 HydrophobicContact CG1-CG 4.44Å; V329-L333 WeakPolarHBondContact O-CB 3.44Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.44Å; V329-L333 PolarHBondContact O-N 3.2Å; W330-L333 PolarHBondContact O-N 3.45Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 2.98Å; L333-R336 PolarHBondContact O-N 3.25Å |
| 334 | S | 79.7 | Confident | 80.2 | Confident | 58 Ų | 58 | 118.1 Ų | 118.1 | 41% | 0.406 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.5 | -27.7 | 179 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | W330 F331 R336 | W330-S334 PolarHBondContact O-N 3.29Å; F331-S334 PolarHBondContact O-OG 2.87Å; S334-R336 VanDerWaalsContact C-N 3.33Å |
| 335 | K | 78 | Confident | 80.2 | Confident | 169 Ų | 169 | 124.7 Ų | 124.7 | 74% | 0.735 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -7.8 | 177 | -146.1 | 177.8 | -176.4 | -177.6 | 0 | 113.8 | F331 L333 | F331-K335 PolarHBondContact O-N 2.98Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 2.98Å |
| 336 | R | 72.9 | Confident | 79.7 | Confident | 199 Ų | 199 | 128.3 Ų | 128.3 | 75% | 0.751 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -2.4 | 178 | -93.3 | -173.7 | 176.4 | -177 | -0.6 | 114.4 | L333 S334 | L333-R336 PolarHBondContact O-N 3.25Å; S334-R336 VanDerWaalsContact C-N 3.33Å |
| 337 | Q | 62.3 | Low | 79.5 | Confident | 196 Ų | 196 | 136.3 Ų | 136.3 | 92% | 0.916 | 62% | 0.615 | S | S | * | * | trans | -104.3 | 0 | 172.7 | -77.6 | -171.6 | -27.7 | 0 | 0 | 112.1 | R2 | R2-Q337 PolarHBondContact NH1-O 3.39Å; R2-Q337 VanDerWaalsContact NH1-O 3.11Å; R2-Q337 PolarHBondContact NH2-O 3.23Å |
Retrieved 337 of 337 residues in 267.4 ms
(Link to these results)