| 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 | 45.3 | Very low | 47.1 | Very low | 242 Ų | 242 | 153.1 Ų | 153.1 | 100% | 1.192 | 77% | 0.766 | S | S | * | * | 0 | 133.3 | 0 | -117.3 | -176 | -86.4 | 0 | 0 | 107.9 | |||||
| 2 | R | 49.3 | Very low | 48 | Very low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | 82.1 | 91.1 | 179.9 | -57.9 | -179 | 176.1 | -175.3 | -1.8 | 117.1 | ||||
| 3 | Q | 44.7 | Very low | 48.9 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | trans | -173.8 | 55.4 | 135.2 | -107.3 | -177.6 | -2.1 | 0 | 0 | 110.6 | ||||
| 4 | I | 48.9 | Very low | 50 | Low | 154 Ų | 154 | 138.7 Ų | 138.7 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -142.1 | 75.3 | 164.6 | -49.4 | 175.4 | 0 | 0 | 0 | 106.4 | ||
| 5 | S | 49 | Very low | 50.9 | Low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -150 | -2 | 171 | 89.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 6 | G | 44.7 | Very low | 51.8 | Low | 51 Ų | 51 | 135 Ų | 135 | 53% | 0.526 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -89.9 | -46.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L9 Q10 | G6-L9 PolarHBondContact O-N 3.29Å; G6-Q10 PolarHBondContact O-N 3.46Å |
| 7 | A | 48.2 | Very low | 52.1 | Low | 71 Ų | 71 | 132.8 Ų | 132.8 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.9 | -33.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | F11 | A7-F11 PolarHBondContact O-N 3.42Å |
| 8 | Y | 42.7 | Very low | 52.8 | Low | 189 Ų | 189 | 133.1 Ų | 133.1 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.8 | -32.5 | 174.8 | -94.6 | -88.8 | 0 | 0 | 0 | 112.5 | S12 | Y8-S12 WeakPolarHBondContact O-CB 3.37Å; Y8-S12 PolarHBondContact O-N 3.47Å; Y8-S12 VanDerWaalsContact O-N 3.17Å |
| 9 | L | 45.4 | Very low | 53.2 | Low | 124 Ų | 124 | 132.4 Ų | 132.4 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.3 | -41.2 | 177.4 | -126.5 | 80.7 | 0 | 0 | 0 | 111.4 | G6 S12 V13 | G6-L9 PolarHBondContact O-N 3.29Å; L9-S12 PolarHBondContact O-N 2.79Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.39Å; L9-V13 PolarHBondContact O-N 3.26Å; L9-V13 VanDerWaalsContact O-N 3.09Å |
| 10 | Q | 50.2 | Low | 53.7 | Low | 147 Ų | 147 | 132.1 Ų | 132.1 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.8 | -41.7 | 178.5 | -107.1 | -179.5 | -25.4 | 0 | 0 | 113 | G6 S12 V13 V14 | G6-Q10 PolarHBondContact O-N 3.46Å; Q10-S12 VanDerWaalsContact C-N 3.34Å; Q10-V13 PolarHBondContact O-N 2.91Å; Q10-V14 WeakPolarHBondContact O-CG2 3.27Å; Q10-V14 PolarHBondContact O-N 2.93Å |
| 11 | F | 50 | Low | 54.1 | Low | 172 Ų | 172 | 131.2 Ų | 131.2 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 175.4 | -103 | -89.8 | 0 | 0 | 0 | 112.6 | A7 S15 | A7-F11 PolarHBondContact O-N 3.42Å; F11-S15 WeakPolarHBondContact O-CB 3.49Å; F11-S15 PolarHBondContact O-N 2.63Å; F11-S15 VanDerWaalsContact O-N 3.16Å |
| 12 | S | 57.3 | Low | 55.1 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.2 | -42 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 112 | Y8 L9 Q10 F16 | Y8-S12 WeakPolarHBondContact O-CB 3.37Å; Y8-S12 PolarHBondContact O-N 3.47Å; Y8-S12 VanDerWaalsContact O-N 3.17Å; L9-S12 PolarHBondContact O-N 2.79Å; Q10-S12 VanDerWaalsContact C-N 3.34Å; S12-F16 VanDerWaalsContact O-CB 3.32Å; S12-F16 WeakPolarHBondContact O-CB 3.27Å; S12-F16 PolarHBondContact O-N 3.36Å |
| 13 | V | 59.5 | Low | 55.9 | Low | 83 Ų | 83 | 115 Ų | 115 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.3 | -41.2 | 179.9 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | L9 Q10 F16 L17 | L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.39Å; L9-V13 PolarHBondContact O-N 3.26Å; L9-V13 VanDerWaalsContact O-N 3.09Å; Q10-V13 PolarHBondContact O-N 2.91Å; V13-F16 PolarHBondContact O-N 3.48Å; V13-L17 HydrophobicContact CG1-CD1 3.94Å; V13-L17 HydrophobicContact CG1-CG 4.47Å; V13-L17 WeakPolarHBondContact O-CB 3.42Å; V13-L17 WeakPolarHBondContact O-CG 3.19Å; V13-L17 PolarHBondContact O-N 3.25Å |
| 14 | V | 65.4 | Low | 57 | Low | 100 Ų | 100 | 108.8 Ų | 108.8 | 61% | 0.606 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.6 | -41.7 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | Q10 F16 L17 F18 | Q10-V14 WeakPolarHBondContact O-CG2 3.27Å; Q10-V14 PolarHBondContact O-N 2.93Å; V14-F16 VanDerWaalsContact C-N 3.33Å; V14-F16 PolarHBondContact O-N 3.38Å; V14-L17 PolarHBondContact O-N 3.02Å; V14-F18 WeakPolarHBondContact O-CB 3.29Å; V14-F18 PolarHBondContact O-N 3.01Å |
| 15 | S | 62.4 | Low | 57.7 | Low | 61 Ų | 61 | 104.7 Ų | 104.7 | 43% | 0.427 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -37.5 | 175.8 | -166.4 | 0 | 0 | 0 | 0 | 112 | F11 F18 H19 | F11-S15 WeakPolarHBondContact O-CB 3.49Å; F11-S15 PolarHBondContact O-N 2.63Å; F11-S15 VanDerWaalsContact O-N 3.16Å; S15-F18 PolarHBondContact O-N 3.38Å; S15-H19 PolarHBondContact O-N 3.03Å; S15-H19 PolarHBondContact O-ND1 2.76Å |
| 16 | F | 65.2 | Low | 58.6 | Low | 157 Ų | 157 | 105 Ų | 105 | 69% | 0.689 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.6 | -42.3 | 176.7 | -152.3 | -91.1 | 0 | 0 | 0 | 112.2 | S12 V13 V14 F18 H19 W20 | S12-F16 VanDerWaalsContact O-CB 3.32Å; S12-F16 WeakPolarHBondContact O-CB 3.27Å; S12-F16 PolarHBondContact O-N 3.36Å; V13-F16 PolarHBondContact O-N 3.48Å; V14-F16 VanDerWaalsContact C-N 3.33Å; V14-F16 PolarHBondContact O-N 3.38Å; F16-F18 VanDerWaalsContact C-N 3.33Å; F16-F18 PolarHBondContact O-N 3.05Å; F16-H19 PolarHBondContact O-N 3.28Å; F16-W20 WeakPolarHBondContact O-CB 3.29Å; F16-W20 PolarHBondContact O-N 2.9Å |
| 17 | L | 56.9 | Low | 59.6 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 174.8 | -74.7 | 166.8 | 0 | 0 | 0 | 112.2 | V13 V14 W20 N21 | V13-L17 HydrophobicContact CG1-CD1 3.94Å; V13-L17 HydrophobicContact CG1-CG 4.47Å; V13-L17 WeakPolarHBondContact O-CB 3.42Å; V13-L17 WeakPolarHBondContact O-CG 3.19Å; V13-L17 PolarHBondContact O-N 3.25Å; V14-L17 PolarHBondContact O-N 3.02Å; L17-W20 PolarHBondContact O-N 3.17Å; L17-N21 WeakPolarHBondContact O-CB 3.48Å; L17-N21 PolarHBondContact O-N 3Å |
| 18 | F | 64.6 | Low | 60.6 | Low | 139 Ų | 139 | 108.8 Ų | 108.8 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.3 | -48.5 | 176.7 | -167.3 | -91.5 | 0 | 0 | 0 | 111.9 | V14 S15 F16 W20 N21 Q22 | V14-F18 WeakPolarHBondContact O-CB 3.29Å; V14-F18 PolarHBondContact O-N 3.01Å; S15-F18 PolarHBondContact O-N 3.38Å; F16-F18 VanDerWaalsContact C-N 3.33Å; F16-F18 PolarHBondContact O-N 3.05Å; F18-W20 VanDerWaalsContact C-N 3.26Å; F18-W20 PolarHBondContact O-N 2.96Å; F18-N21 PolarHBondContact O-N 2.95Å; F18-Q22 WeakPolarHBondContact O-CB 3.4Å; F18-Q22 PolarHBondContact O-N 3.19Å |
| 19 | H | 60.5 | Low | 61.7 | Low | 119 Ų | 119 | 103.3 Ų | 103.3 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -35.2 | 174.2 | -76.8 | 79.1 | 0 | 0 | 0 | 111.9 | S15 F16 Q22 C23 | S15-H19 PolarHBondContact O-N 3.03Å; S15-H19 PolarHBondContact O-ND1 2.76Å; F16-H19 PolarHBondContact O-N 3.28Å; H19-Q22 PolarHBondContact O-N 3.32Å; H19-C23 VanDerWaalsContact O-CB 3.25Å; H19-C23 WeakPolarHBondContact O-CB 3.45Å; H19-C23 PolarHBondContact O-N 2.96Å |
| 20 | W | 64.7 | Low | 62.5 | Low | 127 Ų | 127 | 103.3 Ų | 103.3 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 179 | -172.6 | -147.7 | 0 | 0 | 0 | 112.2 | F16 L17 F18 Q22 C23 M24 | F16-W20 WeakPolarHBondContact O-CB 3.29Å; F16-W20 PolarHBondContact O-N 2.9Å; L17-W20 PolarHBondContact O-N 3.17Å; F18-W20 VanDerWaalsContact C-N 3.26Å; F18-W20 PolarHBondContact O-N 2.96Å; W20-Q22 VanDerWaalsContact C-N 3.34Å; W20-Q22 PolarHBondContact O-N 3.41Å; W20-C23 HydrophobicContact CE3-CB 4.08Å; W20-C23 HydrophobicContact CZ3-CB 4.34Å; W20-C23 PolarHBondContact O-N 3.37Å; W20-M24 HydrophobicContact CD2-CG 3.85Å; W20-M24 HydrophobicContact CE3-CG 3.78Å; W20-M24 HydrophobicContact CE3-SD 4.43Å; W20-M24 HydrophobicContact CH2-CG 3.65Å; W20-M24 HydrophobicContact CH2-SD 3.22Å; W20-M24 WeakPolarHBondContact CH2-SD 3.23Å; W20-M24 HydrophobicContact CZ2-CG 3.72Å; W20-M24 HydrophobicContact CZ2-SD 3.51Å; W20-M24 VanDerWaalsContact CZ2-SD 3.51Å; W20-M24 HydrophobicContact CZ3-CG 3.67Å; W20-M24 HydrophobicContact CZ3-SD 3.74Å; W20-M24 WeakPolarHBondContact O-CB 3.49Å; W20-M24 VanDerWaalsContact O-CG 3.3Å; W20-M24 WeakPolarHBondContact O-CG 3.38Å; W20-M24 PolarHBondContact O-N 2.92Å |
| 21 | N | 61.8 | Low | 62.9 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 173.7 | -83.5 | -9.9 | 0 | 0 | 0 | 112.4 | L17 F18 M24 S25 | L17-N21 WeakPolarHBondContact O-CB 3.48Å; L17-N21 PolarHBondContact O-N 3Å; F18-N21 PolarHBondContact O-N 2.95Å; N21-M24 PolarHBondContact O-N 3.32Å; N21-S25 WeakPolarHBondContact O-CB 3.13Å; N21-S25 PolarHBondContact O-N 2.8Å |
| 22 | Q | 64.9 | Low | 63.4 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 177.5 | -170.1 | 170.5 | -4.7 | 0 | 0 | 111.5 | F18 H19 W20 M24 S25 E26 | F18-Q22 WeakPolarHBondContact O-CB 3.4Å; F18-Q22 PolarHBondContact O-N 3.19Å; H19-Q22 PolarHBondContact O-N 3.32Å; W20-Q22 VanDerWaalsContact C-N 3.34Å; W20-Q22 PolarHBondContact O-N 3.41Å; Q22-M24 PolarHBondContact O-N 2.71Å; Q22-S25 PolarHBondContact O-N 3.1Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 3.45Å |
| 23 | C | 67.5 | Low | 63.4 | Low | 54 Ų | 54 | 101.4 Ų | 101.4 | 37% | 0.365 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | H19 W20 E26 L27 | H19-C23 VanDerWaalsContact O-CB 3.25Å; H19-C23 WeakPolarHBondContact O-CB 3.45Å; H19-C23 PolarHBondContact O-N 2.96Å; W20-C23 HydrophobicContact CE3-CB 4.08Å; W20-C23 HydrophobicContact CZ3-CB 4.34Å; W20-C23 PolarHBondContact O-N 3.37Å; C23-E26 PolarHBondContact O-N 2.92Å; C23-L27 WeakPolarHBondContact O-CB 3.19Å; C23-L27 WeakPolarHBondContact O-CD1 3.5Å; C23-L27 VanDerWaalsContact O-CG 3.26Å; C23-L27 WeakPolarHBondContact O-CG 3.45Å; C23-L27 PolarHBondContact O-N 3.29Å |
| 24 | M | 66.3 | Low | 63.3 | Low | 62 Ų | 62 | 103 Ų | 103 | 31% | 0.305 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 173.7 | -76.9 | -65.3 | -71.1 | 0 | 0 | 111.8 | W20 N21 Q22 L27 F28 | W20-M24 HydrophobicContact CD2-CG 3.85Å; W20-M24 HydrophobicContact CE3-CG 3.78Å; W20-M24 HydrophobicContact CE3-SD 4.43Å; W20-M24 HydrophobicContact CH2-CG 3.65Å; W20-M24 HydrophobicContact CH2-SD 3.22Å; W20-M24 WeakPolarHBondContact CH2-SD 3.23Å; W20-M24 HydrophobicContact CZ2-CG 3.72Å; W20-M24 HydrophobicContact CZ2-SD 3.51Å; W20-M24 VanDerWaalsContact CZ2-SD 3.51Å; W20-M24 HydrophobicContact CZ3-CG 3.67Å; W20-M24 HydrophobicContact CZ3-SD 3.74Å; W20-M24 WeakPolarHBondContact O-CB 3.49Å; W20-M24 VanDerWaalsContact O-CG 3.3Å; W20-M24 WeakPolarHBondContact O-CG 3.38Å; W20-M24 PolarHBondContact O-N 2.92Å; N21-M24 PolarHBondContact O-N 3.32Å; Q22-M24 PolarHBondContact O-N 2.71Å; M24-L27 PolarHBondContact O-N 3.03Å; M24-L27 HydrophobicContact SD-CD1 4.4Å; M24-F28 HydrophobicContact CE-CE2 3.67Å; M24-F28 HydrophobicContact CE-CZ 4.18Å; M24-F28 WeakPolarHBondContact O-CB 3.46Å; M24-F28 WeakPolarHBondContact O-CD2 3.25Å; M24-F28 PolarHBondContact O-N 3.47Å |
| 25 | S | 64.8 | Low | 63.2 | Low | 69 Ų | 69 | 107.2 Ų | 107.2 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.4 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | N21 Q22 F28 T29 | N21-S25 WeakPolarHBondContact O-CB 3.13Å; N21-S25 PolarHBondContact O-N 2.8Å; Q22-S25 PolarHBondContact O-N 3.1Å; S25-F28 PolarHBondContact O-N 2.88Å; S25-T29 WeakPolarHBondContact O-CG2 3.17Å; S25-T29 PolarHBondContact O-N 3.44Å; S25-T29 PolarHBondContact O-OG1 2.91Å |
| 26 | E | 67.7 | Low | 63.3 | Low | 103 Ų | 103 | 108.9 Ų | 108.9 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 175.9 | -73.8 | 171.4 | -170.3 | 0 | 0 | 112.1 | Q22 C23 T29 H30 | Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 3.45Å; C23-E26 PolarHBondContact O-N 2.92Å; E26-T29 WeakPolarHBondContact CA-OG1 3.2Å; E26-T29 PolarHBondContact O-OG1 2.94Å; E26-H30 WeakPolarHBondContact O-CB 3.5Å; E26-H30 PolarHBondContact O-N 3.38Å |
| 27 | L | 65.3 | Low | 63.3 | Low | 84 Ų | 84 | 107 Ų | 107 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 172.7 | -76.8 | 164.4 | 0 | 0 | 0 | 112.2 | C23 M24 R31 | C23-L27 WeakPolarHBondContact O-CB 3.19Å; C23-L27 WeakPolarHBondContact O-CD1 3.5Å; C23-L27 VanDerWaalsContact O-CG 3.26Å; C23-L27 WeakPolarHBondContact O-CG 3.45Å; C23-L27 PolarHBondContact O-N 3.29Å; M24-L27 PolarHBondContact O-N 3.03Å; M24-L27 HydrophobicContact SD-CD1 4.4Å; L27-R31 WeakPolarHBondContact O-CB 3.45Å; L27-R31 VanDerWaalsContact O-CG 3.31Å; L27-R31 WeakPolarHBondContact O-CG 3.34Å; L27-R31 PolarHBondContact O-N 2.98Å |
| 28 | F | 68.9 | Low | 63.5 | Low | 117 Ų | 117 | 107.3 Ų | 107.3 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 175.5 | -84.7 | -66.6 | 0 | 0 | 0 | 111.6 | M24 S25 H30 R31 E32 | M24-F28 HydrophobicContact CE-CE2 3.67Å; M24-F28 HydrophobicContact CE-CZ 4.18Å; M24-F28 WeakPolarHBondContact O-CB 3.46Å; M24-F28 WeakPolarHBondContact O-CD2 3.25Å; M24-F28 PolarHBondContact O-N 3.47Å; S25-F28 PolarHBondContact O-N 2.88Å; F28-H30 PolarHBondContact O-N 2.83Å; F28-R31 PolarHBondContact O-N 3.44Å; F28-E32 WeakPolarHBondContact O-CG 3.28Å; F28-E32 PolarHBondContact O-N 3.38Å |
| 29 | T | 67 | Low | 63.8 | Low | 74 Ų | 74 | 104 Ų | 104 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 112 | S25 E26 E32 A33 | S25-T29 WeakPolarHBondContact O-CG2 3.17Å; S25-T29 PolarHBondContact O-N 3.44Å; S25-T29 PolarHBondContact O-OG1 2.91Å; E26-T29 WeakPolarHBondContact CA-OG1 3.2Å; E26-T29 PolarHBondContact O-OG1 2.94Å; T29-E32 PolarHBondContact O-N 2.87Å; T29-A33 WeakPolarHBondContact O-CB 3.16Å; T29-A33 PolarHBondContact O-N 2.92Å |
| 30 | H | 60.8 | Low | 64.3 | Low | 124 Ų | 124 | 101.2 Ų | 101.2 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 172.4 | -102.3 | -70.4 | 0 | 0 | 0 | 112 | E26 F28 E32 A33 E34 | E26-H30 WeakPolarHBondContact O-CB 3.5Å; E26-H30 PolarHBondContact O-N 3.38Å; F28-H30 PolarHBondContact O-N 2.83Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.87Å; H30-A33 PolarHBondContact O-N 3.21Å; H30-E34 WeakPolarHBondContact O-CB 3.33Å; H30-E34 WeakPolarHBondContact O-CG 3.49Å; H30-E34 PolarHBondContact O-N 2.89Å |
| 31 | R | 60.6 | Low | 64.7 | Low | 171 Ų | 171 | 95.7 Ų | 95.7 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -36.4 | 176.7 | -79.8 | 179.5 | 173.7 | -174 | -0.5 | 113 | L27 F28 R35 | L27-R31 WeakPolarHBondContact O-CB 3.45Å; L27-R31 VanDerWaalsContact O-CG 3.31Å; L27-R31 WeakPolarHBondContact O-CG 3.34Å; L27-R31 PolarHBondContact O-N 2.98Å; F28-R31 PolarHBondContact O-N 3.44Å; R31-R35 WeakPolarHBondContact O-CB 3.37Å; R31-R35 PolarHBondContact O-N 2.93Å |
| 32 | E | 60.3 | Low | 65.4 | Low | 125 Ų | 125 | 90.9 Ų | 90.9 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.5 | -41.8 | 175.2 | -77 | -177.9 | 166.1 | 0 | 0 | 111.9 | F28 T29 H30 R35 T36 | F28-E32 WeakPolarHBondContact O-CG 3.28Å; F28-E32 PolarHBondContact O-N 3.38Å; T29-E32 PolarHBondContact O-N 2.87Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.87Å; E32-R35 PolarHBondContact O-N 2.68Å; E32-T36 WeakPolarHBondContact O-CB 3.48Å; E32-T36 PolarHBondContact O-N 2.88Å; E32-T36 PolarHBondContact O-OG1 3.3Å |
| 33 | A | 55.5 | Low | 66.2 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T29 H30 R35 T36 D37 | T29-A33 WeakPolarHBondContact O-CB 3.16Å; T29-A33 PolarHBondContact O-N 2.92Å; H30-A33 PolarHBondContact O-N 3.21Å; A33-R35 VanDerWaalsContact C-N 3.34Å; A33-R35 PolarHBondContact O-N 3.06Å; A33-T36 PolarHBondContact O-N 3.28Å; A33-D37 PolarHBondContact O-N 2.97Å |
| 34 | E | 58.3 | Low | 67 | Low | 115 Ų | 115 | 87.2 Ų | 87.2 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | -76 | 176.5 | 176.9 | 0 | 0 | 111.8 | H30 T36 D37 Q38 | H30-E34 WeakPolarHBondContact O-CB 3.33Å; H30-E34 WeakPolarHBondContact O-CG 3.49Å; H30-E34 PolarHBondContact O-N 2.89Å; E34-T36 VanDerWaalsContact C-N 3.33Å; E34-T36 PolarHBondContact O-N 3.45Å; E34-D37 PolarHBondContact O-N 3.49Å; E34-Q38 WeakPolarHBondContact O-CB 3.38Å; E34-Q38 VanDerWaalsContact O-CG 3.3Å; E34-Q38 WeakPolarHBondContact O-CG 2.95Å; E34-Q38 PolarHBondContact O-N 3.4Å |
| 35 | R | 63.8 | Low | 68 | Low | 189 Ų | 189 | 84.4 Ų | 84.4 | 71% | 0.713 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.9 | -37.4 | 177.5 | -172.6 | -178.1 | -77.9 | -174.4 | -6.5 | 111.9 | R31 E32 A33 S39 | R31-R35 WeakPolarHBondContact O-CB 3.37Å; R31-R35 PolarHBondContact O-N 2.93Å; E32-R35 PolarHBondContact O-N 2.68Å; A33-R35 VanDerWaalsContact C-N 3.34Å; A33-R35 PolarHBondContact O-N 3.06Å; R35-S39 WeakPolarHBondContact O-CB 3.29Å; R35-S39 PolarHBondContact O-N 2.96Å |
| 36 | T | 64.5 | Low | 69.2 | Low | 97 Ų | 97 | 81.2 Ų | 81.2 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.4 | -41.6 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | E32 A33 E34 S39 S40 | E32-T36 WeakPolarHBondContact O-CB 3.48Å; E32-T36 PolarHBondContact O-N 2.88Å; E32-T36 PolarHBondContact O-OG1 3.3Å; A33-T36 PolarHBondContact O-N 3.28Å; E34-T36 VanDerWaalsContact C-N 3.33Å; E34-T36 PolarHBondContact O-N 3.45Å; T36-S39 WeakPolarHBondContact O-CB 3.42Å; T36-S39 PolarHBondContact O-N 2.59Å; T36-S40 PolarHBondContact O-N 3.09Å |
| 37 | D | 63.8 | Low | 70.2 | Confident | 118 Ų | 118 | 78.6 Ų | 78.6 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.2 | -44.7 | 177.9 | -164.9 | 40.1 | 0 | 0 | 0 | 111.6 | A33 E34 S39 S40 A41 | A33-D37 PolarHBondContact O-N 2.97Å; E34-D37 PolarHBondContact O-N 3.49Å; D37-S39 VanDerWaalsContact C-N 3.3Å; D37-S39 PolarHBondContact O-N 2.85Å; D37-S40 WeakPolarHBondContact O-CB 3.38Å; D37-S40 PolarHBondContact O-N 3.16Å; D37-S40 VanDerWaalsContact O-N 3.12Å; D37-A41 WeakPolarHBondContact O-CB 3.43Å; D37-A41 PolarHBondContact O-N 2.67Å |
| 38 | Q | 61.6 | Low | 71.5 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 172.2 | -75.1 | 177.7 | -9.7 | 0 | 0 | 112.4 | E34 A41 M42 T112 | E34-Q38 WeakPolarHBondContact O-CB 3.38Å; E34-Q38 VanDerWaalsContact O-CG 3.3Å; E34-Q38 WeakPolarHBondContact O-CG 2.95Å; E34-Q38 PolarHBondContact O-N 3.4Å; Q38-A41 PolarHBondContact O-N 2.79Å; Q38-M42 WeakPolarHBondContact O-CE 3.33Å; Q38-M42 WeakPolarHBondContact O-CG 3.49Å; Q38-M42 PolarHBondContact O-N 2.72Å; Q38-T112 HydrophobicContact CB-CG2 4.49Å; Q38-T112 HydrophobicContact CG-CG2 4.42Å |
| 39 | S | 70.6 | Confident | 72.6 | Confident | 70 Ų | 70 | 69.6 Ų | 69.6 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.4 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | R35 T36 D37 A43 | R35-S39 WeakPolarHBondContact O-CB 3.29Å; R35-S39 PolarHBondContact O-N 2.96Å; T36-S39 WeakPolarHBondContact O-CB 3.42Å; T36-S39 PolarHBondContact O-N 2.59Å; D37-S39 VanDerWaalsContact C-N 3.3Å; D37-S39 PolarHBondContact O-N 2.85Å; S39-A43 VanDerWaalsContact O-CB 3.29Å; S39-A43 WeakPolarHBondContact O-CB 3.45Å; S39-A43 PolarHBondContact O-N 2.74Å |
| 40 | S | 72 | Confident | 73.9 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | T36 D37 S44 K104 | T36-S40 PolarHBondContact O-N 3.09Å; D37-S40 WeakPolarHBondContact O-CB 3.38Å; D37-S40 PolarHBondContact O-N 3.16Å; D37-S40 VanDerWaalsContact O-N 3.12Å; S40-S44 PolarHBondContact O-N 2.73Å; S40-S44 VanDerWaalsContact O-N 3.16Å; S40-K104 PolarHBondContact O-NZ 3.11Å; S40-K104 VanDerWaalsContact O-NZ 3.17Å |
| 41 | A | 71.9 | Confident | 75.5 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -55.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D37 Q38 A43 S44 I45 D109 | D37-A41 WeakPolarHBondContact O-CB 3.43Å; D37-A41 PolarHBondContact O-N 2.67Å; Q38-A41 PolarHBondContact O-N 2.79Å; A41-A43 VanDerWaalsContact C-N 3.3Å; A41-A43 PolarHBondContact O-N 2.97Å; A41-S44 WeakPolarHBondContact O-CB 3.34Å; A41-S44 PolarHBondContact O-N 2.86Å; A41-S44 VanDerWaalsContact O-N 3.14Å; A41-I45 PolarHBondContact O-N 3.28Å; A41-D109 VanDerWaalsContact CB-OD1 3.23Å; A41-D109 WeakPolarHBondContact CB-OD1 3.38Å |
| 42 | M | 77.9 | Confident | 77.2 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 179.6 | -73.2 | -172 | -68.5 | 0 | 0 | 112.9 | Q38 I45 S46 T112 L113 D116 | Q38-M42 WeakPolarHBondContact O-CE 3.33Å; Q38-M42 WeakPolarHBondContact O-CG 3.49Å; Q38-M42 PolarHBondContact O-N 2.72Å; M42-I45 WeakPolarHBondContact O-CG2 3.36Å; M42-S46 WeakPolarHBondContact O-CB 3.43Å; M42-S46 PolarHBondContact O-N 3.09Å; M42-S46 PolarHBondContact O-OG 3.17Å; M42-T112 HydrophobicContact CG-CG2 3.91Å; M42-T112 HydrophobicContact SD-CG2 4.07Å; M42-L113 HydrophobicContact CB-CD1 4.46Å; M42-L113 HydrophobicContact CG-CB 4.45Å; M42-L113 HydrophobicContact CG-CD1 4.39Å; M42-D116 HydrophobicContact SD-CB 4.12Å |
| 43 | A | 81.4 | Confident | 78.8 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S39 A41 I45 S46 S47 | S39-A43 VanDerWaalsContact O-CB 3.29Å; S39-A43 WeakPolarHBondContact O-CB 3.45Å; S39-A43 PolarHBondContact O-N 2.74Å; A41-A43 VanDerWaalsContact C-N 3.3Å; A41-A43 PolarHBondContact O-N 2.97Å; A43-I45 PolarHBondContact O-N 3.43Å; A43-S46 PolarHBondContact O-N 2.82Å; A43-S47 PolarHBondContact O-N 2.87Å; A43-S47 PolarHBondContact O-OG 2.81Å |
| 44 | S | 84 | Confident | 80.7 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | -179.7 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | S40 A41 S46 S47 S48 | S40-S44 PolarHBondContact O-N 2.73Å; S40-S44 VanDerWaalsContact O-N 3.16Å; A41-S44 WeakPolarHBondContact O-CB 3.34Å; A41-S44 PolarHBondContact O-N 2.86Å; A41-S44 VanDerWaalsContact O-N 3.14Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S47 PolarHBondContact O-N 3.01Å; S44-S48 PolarHBondContact O-N 2.93Å; S44-S48 VanDerWaalsContact O-N 3.11Å; S44-S48 PolarHBondContact O-OG 2.83Å |
| 45 | I | 88.1 | Confident | 82.5 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.9 | -31.8 | -180 | -172.1 | 62.4 | 0 | 0 | 0 | 111.9 | A41 M42 A43 S47 S48 N49 F100 D109 F110 L113 | A41-I45 PolarHBondContact O-N 3.28Å; M42-I45 WeakPolarHBondContact O-CG2 3.36Å; A43-I45 PolarHBondContact O-N 3.43Å; I45-S47 VanDerWaalsContact C-N 3.35Å; I45-S48 PolarHBondContact O-N 2.78Å; I45-N49 WeakPolarHBondContact O-CB 2.88Å; I45-N49 PolarHBondContact O-N 3.44Å; I45-F100 HydrophobicContact CD1-CD1 4.13Å; I45-F100 HydrophobicContact CD1-CE1 3.94Å; I45-D109 HydrophobicContact CB-CB 4.16Å; I45-D109 HydrophobicContact CG2-CB 4.14Å; I45-F110 HydrophobicContact CD1-CD2 4.02Å; I45-F110 HydrophobicContact CD1-CE1 4.2Å; I45-F110 HydrophobicContact CD1-CE2 3.43Å; I45-F110 VanDerWaalsContact CD1-CE2 3.43Å; I45-F110 HydrophobicContact CD1-CZ 3.54Å; I45-F110 HydrophobicContact CG1-CD1 4.24Å; I45-F110 HydrophobicContact CG1-CD2 4.25Å; I45-F110 HydrophobicContact CG1-CE1 4Å; I45-F110 HydrophobicContact CG1-CE2 4Å; I45-F110 HydrophobicContact CG1-CG 4.36Å; I45-F110 HydrophobicContact CG1-CZ 3.87Å; I45-L113 HydrophobicContact CG2-CB 4.22Å; I45-L113 HydrophobicContact CG2-CD2 3.84Å; I45-L113 HydrophobicContact CG2-CG 4.48Å |
| 46 | S | 89.1 | Confident | 84 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | M42 A43 S44 N49 T50 S407 S409 | M42-S46 WeakPolarHBondContact O-CB 3.43Å; M42-S46 PolarHBondContact O-N 3.09Å; M42-S46 PolarHBondContact O-OG 3.17Å; A43-S46 PolarHBondContact O-N 2.82Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S46-N49 PolarHBondContact O-N 3.19Å; S46-T50 PolarHBondContact O-N 3.13Å; S46-T50 PolarHBondContact O-OG1 3.26Å; S46-T50 VanDerWaalsContact O-OG1 3.11Å; S46-S407 WeakPolarHBondContact CB-O 3.19Å; S46-S407 PolarHBondContact OG-O 3Å; S46-S407 VanDerWaalsContact OG-O 3.06Å; S46-S409 WeakPolarHBondContact OG-CB 3.47Å |
| 47 | S | 89.8 | Confident | 85.4 | Confident | 48 Ų | 48 | 30.6 Ų | 30.6 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 172.6 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | A43 S44 I45 N49 T50 A51 M292 | A43-S47 PolarHBondContact O-N 2.87Å; A43-S47 PolarHBondContact O-OG 2.81Å; S44-S47 PolarHBondContact O-N 3.01Å; I45-S47 VanDerWaalsContact C-N 3.35Å; S47-N49 VanDerWaalsContact C-N 3.32Å; S47-N49 PolarHBondContact O-N 3.15Å; S47-T50 PolarHBondContact O-N 2.8Å; S47-A51 PolarHBondContact O-N 3.48Å; S47-M292 WeakPolarHBondContact OG-CE 3.49Å |
| 48 | S | 91.9 | Very high | 86.8 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 8% | 0.077 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 174.6 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | S44 I45 T50 A51 F52 S99 | S44-S48 PolarHBondContact O-N 2.93Å; S44-S48 VanDerWaalsContact O-N 3.11Å; S44-S48 PolarHBondContact O-OG 2.83Å; I45-S48 PolarHBondContact O-N 2.78Å; S48-T50 PolarHBondContact O-N 3.18Å; S48-A51 PolarHBondContact O-N 2.82Å; S48-F52 WeakPolarHBondContact O-CB 3.49Å; S48-F52 PolarHBondContact O-N 3.35Å; S48-S99 WeakPolarHBondContact CB-O 3.38Å; S48-S99 PolarHBondContact OG-O 3.35Å |
| 49 | N | 92.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | 178.1 | -71.8 | -11.6 | 0 | 0 | 0 | 112.2 | I45 S46 S47 A53 S76 | I45-N49 WeakPolarHBondContact O-CB 2.88Å; I45-N49 PolarHBondContact O-N 3.44Å; S46-N49 PolarHBondContact O-N 3.19Å; S47-N49 VanDerWaalsContact C-N 3.32Å; S47-N49 PolarHBondContact O-N 3.15Å; N49-A53 VanDerWaalsContact O-CB 3.25Å; N49-A53 WeakPolarHBondContact O-CB 3.4Å; N49-A53 PolarHBondContact O-N 3.47Å; N49-S76 WeakPolarHBondContact OD1-CB 3.33Å; N49-S76 PolarHBondContact OD1-OG 3.2Å |
| 50 | T | 93.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | S46 S47 S48 F52 A53 L54 M292 L295 I410 | S46-T50 PolarHBondContact O-N 3.13Å; S46-T50 PolarHBondContact O-OG1 3.26Å; S46-T50 VanDerWaalsContact O-OG1 3.11Å; S47-T50 PolarHBondContact O-N 2.8Å; S48-T50 PolarHBondContact O-N 3.18Å; T50-F52 PolarHBondContact O-N 3Å; T50-A53 VanDerWaalsContact O-CB 3.31Å; T50-A53 WeakPolarHBondContact O-CB 3.41Å; T50-A53 PolarHBondContact O-N 3Å; T50-L54 WeakPolarHBondContact O-CG 3.43Å; T50-L54 PolarHBondContact O-N 3.28Å; T50-L54 VanDerWaalsContact O-N 3.08Å; T50-M292 HydrophobicContact CG2-CB 4.22Å; T50-M292 HydrophobicContact CG2-CG 3.82Å; T50-M292 HydrophobicContact CG2-SD 4.27Å; T50-L295 HydrophobicContact CG2-CD2 4.31Å; T50-I410 HydrophobicContact CG2-CD1 3.76Å |
| 51 | A | 94.3 | Very high | 90.1 | Very high | 31 Ų | 31 | 18.1 Ų | 18.1 | 26% | 0.256 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S47 S48 A53 L54 E55 | S47-A51 PolarHBondContact O-N 3.48Å; S48-A51 PolarHBondContact O-N 2.82Å; A51-A53 VanDerWaalsContact C-N 3.33Å; A51-A53 PolarHBondContact O-N 2.77Å; A51-L54 PolarHBondContact O-N 3.42Å; A51-E55 PolarHBondContact O-N 3.34Å |
| 52 | F | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 173.8 | 170.4 | -113.6 | 0 | 0 | 0 | 112.5 | S48 T50 L54 E55 L56 I75 L79 V97 L98 L329 L332 | S48-F52 WeakPolarHBondContact O-CB 3.49Å; S48-F52 PolarHBondContact O-N 3.35Å; T50-F52 PolarHBondContact O-N 3Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.92Å; F52-E55 PolarHBondContact O-N 2.82Å; F52-L56 HydrophobicContact CE1-CD2 4.07Å; F52-L56 HydrophobicContact CE2-CB 4.19Å; F52-L56 HydrophobicContact CE2-CD2 4.38Å; F52-L56 HydrophobicContact CZ-CB 4.28Å; F52-L56 HydrophobicContact CZ-CD2 3.7Å; F52-L56 HydrophobicContact CZ-CG 4.49Å; F52-L56 WeakPolarHBondContact O-CB 3.27Å; F52-L56 PolarHBondContact O-N 2.8Å; F52-I75 HydrophobicContact CE1-CB 4.18Å; F52-I75 HydrophobicContact CE1-CG2 3.7Å; F52-I75 HydrophobicContact CZ-CG2 3.73Å; F52-L79 HydrophobicContact CZ-CD1 4.17Å; F52-V97 HydrophobicContact CD2-CG1 4.28Å; F52-V97 WeakPolarHBondContact CD2-O 3.45Å; F52-V97 HydrophobicContact CE2-CG1 4.12Å; F52-L98 HydrophobicContact CD1-CD2 4.26Å; F52-L98 HydrophobicContact CD2-CD2 4.09Å; F52-L98 HydrophobicContact CE1-CD2 4.17Å; F52-L98 HydrophobicContact CE2-CD2 4Å; F52-L98 HydrophobicContact CG-CD2 4.2Å; F52-L98 HydrophobicContact CZ-CD2 4.03Å; F52-L329 HydrophobicContact CE2-CD2 3.91Å; F52-L329 HydrophobicContact CZ-CD2 4.05Å; F52-L332 HydrophobicContact CE2-CD1 4.38Å |
| 53 | A | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.7 | -49.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N49 T50 A51 Y57 P72 L413 | N49-A53 VanDerWaalsContact O-CB 3.25Å; N49-A53 WeakPolarHBondContact O-CB 3.4Å; N49-A53 PolarHBondContact O-N 3.47Å; T50-A53 VanDerWaalsContact O-CB 3.31Å; T50-A53 WeakPolarHBondContact O-CB 3.41Å; T50-A53 PolarHBondContact O-N 3Å; A51-A53 VanDerWaalsContact C-N 3.33Å; A51-A53 PolarHBondContact O-N 2.77Å; A53-Y57 WeakPolarHBondContact O-CB 3.02Å; A53-Y57 PolarHBondContact O-N 3.44Å; A53-P72 HydrophobicContact CB-CB 3.35Å; A53-P72 HydrophobicContact CB-CG 3.32Å; A53-L413 HydrophobicContact CB-CD2 4.26Å |
| 54 | L | 94.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | -177.3 | -64.5 | 178.1 | 0 | 0 | 0 | 111.2 | T50 A51 F52 Y57 R58 L290 M292 L413 | T50-L54 WeakPolarHBondContact O-CG 3.43Å; T50-L54 PolarHBondContact O-N 3.28Å; T50-L54 VanDerWaalsContact O-N 3.08Å; A51-L54 PolarHBondContact O-N 3.42Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.92Å; L54-Y57 PolarHBondContact O-N 3.41Å; L54-R58 WeakPolarHBondContact O-CG 3.3Å; L54-R58 PolarHBondContact O-N 2.95Å; L54-L290 HydrophobicContact CD2-CD2 3.76Å; L54-L290 HydrophobicContact CD2-CG 4.09Å; L54-M292 HydrophobicContact CD1-CB 4.29Å; L54-L413 HydrophobicContact CD2-CD2 4.48Å |
| 55 | E | 95.3 | Very high | 89.9 | Confident | 89 Ų | 89 | 35.1 Ų | 35.1 | 42% | 0.416 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 177.7 | -67.1 | -54 | 140.6 | 0 | 0 | 112.5 | A51 F52 R58 T59 L332 | A51-E55 PolarHBondContact O-N 3.34Å; F52-E55 PolarHBondContact O-N 2.82Å; E55-R58 IonicContact OE1-CZ 3.03Å; E55-R58 IonicContact OE1-NH1 2.84Å; E55-R58 PolarHBondContact OE1-NH1 3.22Å; E55-R58 IonicContact OE2-NH1 3.89Å; E55-R58 PolarHBondContact OE2-NH1 3.3Å; E55-T59 WeakPolarHBondContact O-CB 3.35Å; E55-T59 PolarHBondContact O-N 2.99Å; E55-T59 PolarHBondContact O-OG1 2.83Å; E55-L332 HydrophobicContact CB-CD2 3.93Å |
| 56 | L | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.1 | -180 | 61.7 | 0 | 0 | 0 | 111.4 | F52 R58 T59 L60 I70 I75 L325 P328 L332 | F52-L56 HydrophobicContact CE1-CD2 4.07Å; F52-L56 HydrophobicContact CE2-CB 4.19Å; F52-L56 HydrophobicContact CE2-CD2 4.38Å; F52-L56 HydrophobicContact CZ-CB 4.28Å; F52-L56 HydrophobicContact CZ-CD2 3.7Å; F52-L56 HydrophobicContact CZ-CG 4.49Å; F52-L56 WeakPolarHBondContact O-CB 3.27Å; F52-L56 PolarHBondContact O-N 2.8Å; L56-R58 PolarHBondContact O-N 3.27Å; L56-T59 WeakPolarHBondContact O-CB 3.32Å; L56-T59 PolarHBondContact O-N 2.71Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.18Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 HydrophobicContact CG-CG 4.4Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.85Å; L56-I70 HydrophobicContact CD2-CD1 4.03Å; L56-I70 HydrophobicContact CG-CD1 4.18Å; L56-I75 HydrophobicContact CD2-CD1 3.69Å; L56-I75 HydrophobicContact CD2-CG2 4.37Å; L56-L325 HydrophobicContact CD1-CD2 4.46Å; L56-P328 HydrophobicContact CD1-CB 3.91Å; L56-L332 HydrophobicContact CB-CD1 4.38Å; L56-L332 HydrophobicContact CD1-CD1 4.34Å |
| 57 | Y | 94.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 178 | 176.3 | -92.4 | 0 | 0 | 0 | 111.6 | A53 L54 T59 L60 G61 V68 E287 L399 L413 R415 | A53-Y57 WeakPolarHBondContact O-CB 3.02Å; A53-Y57 PolarHBondContact O-N 3.44Å; L54-Y57 PolarHBondContact O-N 3.41Å; Y57-T59 VanDerWaalsContact C-N 3.3Å; Y57-T59 PolarHBondContact O-N 3.34Å; Y57-L60 PolarHBondContact O-N 3.35Å; Y57-G61 PolarHBondContact O-N 3.23Å; Y57-V68 HydrophobicContact CD2-CG1 3.88Å; Y57-V68 HydrophobicContact CE2-CB 4.04Å; Y57-V68 HydrophobicContact CE2-CG1 3.81Å; Y57-E287 HydrophobicContact CE1-CB 4.44Å; Y57-E287 HydrophobicContact CE1-CG 3.89Å; Y57-E287 PolarHBondContact OH-OE1 3.33Å; Y57-L399 WeakPolarHBondContact OH-CD2 3.22Å; Y57-L413 HydrophobicContact CD2-CD2 3.92Å; Y57-L413 HydrophobicContact CD2-CG 3.88Å; Y57-L413 HydrophobicContact CE2-CG 4.39Å; Y57-L413 HydrophobicContact CG-CD2 3.78Å; Y57-L413 HydrophobicContact CG-CG 4.25Å; Y57-R415 WeakPolarHBondContact OH-CB 3.48Å; Y57-R415 WeakPolarHBondContact OH-CD 3.42Å |
| 58 | R | 92.7 | Very high | 90.4 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 175.8 | -70.7 | -169.3 | -148 | 107.4 | -4.1 | 112 | L54 E55 L56 G61 Q62 E287 L290 | L54-R58 WeakPolarHBondContact O-CG 3.3Å; L54-R58 PolarHBondContact O-N 2.95Å; E55-R58 IonicContact OE1-CZ 3.03Å; E55-R58 IonicContact OE1-NH1 2.84Å; E55-R58 PolarHBondContact OE1-NH1 3.22Å; E55-R58 IonicContact OE2-NH1 3.89Å; E55-R58 PolarHBondContact OE2-NH1 3.3Å; L56-R58 PolarHBondContact O-N 3.27Å; R58-G61 PolarHBondContact O-N 3.38Å; R58-Q62 WeakPolarHBondContact O-CG 3.34Å; R58-Q62 PolarHBondContact O-N 2.8Å; R58-Q62 VanDerWaalsContact O-N 3.15Å; R58-E287 PolarHBondContact NE-O 3.02Å; R58-L290 PolarHBondContact NH2-O 2.94Å |
| 59 | T | 93.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.7 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | E55 L56 Y57 G61 P328 Q331 L332 | E55-T59 WeakPolarHBondContact O-CB 3.35Å; E55-T59 PolarHBondContact O-N 2.99Å; E55-T59 PolarHBondContact O-OG1 2.83Å; L56-T59 WeakPolarHBondContact O-CB 3.32Å; L56-T59 PolarHBondContact O-N 2.71Å; Y57-T59 VanDerWaalsContact C-N 3.3Å; Y57-T59 PolarHBondContact O-N 3.34Å; T59-G61 VanDerWaalsContact C-N 3.32Å; T59-P328 HydrophobicContact CG2-CB 3.93Å; T59-Q331 HydrophobicContact CG2-CB 4.24Å; T59-L332 VanDerWaalsContact OG1-CD2 3.31Å; T59-L332 WeakPolarHBondContact OG1-CD2 3.29Å |
| 60 | L | 92.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.7 | -68.1 | 173 | 0 | 0 | 0 | 111.1 | L56 Y57 Q62 T63 N64 V68 I70 Y323 L325 P328 | L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.18Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 HydrophobicContact CG-CG 4.4Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.85Å; Y57-L60 PolarHBondContact O-N 3.35Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.87Å; L60-T63 PolarHBondContact O-N 3.42Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-T63 PolarHBondContact O-OG1 2.9Å; L60-N64 PolarHBondContact O-N 2.96Å; L60-V68 HydrophobicContact CB-CG1 4.31Å; L60-I70 HydrophobicContact CD1-CD1 4.45Å; L60-I70 HydrophobicContact CD1-CG2 3.52Å; L60-Y323 HydrophobicContact CD1-CD1 4.28Å; L60-Y323 HydrophobicContact CD1-CE1 4.21Å; L60-Y323 HydrophobicContact CD2-CD1 3.75Å; L60-Y323 HydrophobicContact CD2-CE1 4.13Å; L60-Y323 HydrophobicContact CD2-CG 4.42Å; L60-L325 HydrophobicContact CD2-CD2 4.42Å; L60-P328 HydrophobicContact CD2-CB 4.14Å; L60-P328 HydrophobicContact CD2-CG 3.61Å |
| 61 | G | 87.6 | Confident | 90.7 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -23.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y57 R58 T59 T63 R415 | Y57-G61 PolarHBondContact O-N 3.23Å; R58-G61 PolarHBondContact O-N 3.38Å; T59-G61 VanDerWaalsContact C-N 3.32Å; G61-T63 PolarHBondContact O-N 2.9Å; G61-R415 PolarHBondContact O-NH2 3.1Å |
| 62 | Q | 84.1 | Confident | 90.7 | Very high | 152 Ų | 152 | 32.2 Ų | 32.2 | 71% | 0.71 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.5 | 172.5 | -73.7 | 169.5 | 13.2 | 0 | 0 | 113.3 | R58 L60 | R58-Q62 WeakPolarHBondContact O-CG 3.34Å; R58-Q62 PolarHBondContact O-N 2.8Å; R58-Q62 VanDerWaalsContact O-N 3.15Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.87Å |
| 63 | T | 75.2 | Confident | 90.6 | Very high | 112 Ų | 112 | 32.2 Ų | 32.2 | 69% | 0.687 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -8.2 | -173.2 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | L60 G61 | L60-T63 PolarHBondContact O-N 3.42Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-T63 PolarHBondContact O-OG1 2.9Å; G61-T63 PolarHBondContact O-N 2.9Å |
| 64 | N | 75.5 | Confident | 90.5 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | trans | -135.1 | 115.8 | -174.5 | -175.8 | -3 | 0 | 0 | 0 | 110.1 | L60 G66 N67 V68 R415 | L60-N64 PolarHBondContact O-N 2.96Å; N64-G66 VanDerWaalsContact C-N 3.34Å; N64-G66 WeakPolarHBondContact OD1-CA 3.28Å; N64-G66 PolarHBondContact OD1-N 3.19Å; N64-N67 PolarHBondContact ND2-O 2.79Å; N64-V68 HydrophobicContact CB-CG2 4.3Å; N64-R415 PolarHBondContact O-NH2 3.05Å | ||
| 65 | T | 76.6 | Confident | 90.5 | Very high | 139 Ų | 139 | 32 Ų | 32 | 85% | 0.853 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -87.3 | -4.1 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 66 | G | 88.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 25% | 0.247 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -93.5 | -157.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N64 R415 | N64-G66 VanDerWaalsContact C-N 3.34Å; N64-G66 WeakPolarHBondContact OD1-CA 3.28Å; N64-G66 PolarHBondContact OD1-N 3.19Å; G66-R415 PolarHBondContact O-NE 3.28Å; G66-R415 VanDerWaalsContact O-NE 3.13Å |
| 67 | N | 93.1 | Very high | 90.4 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | trans | -58.3 | 141.9 | 175.5 | -59.9 | -29.3 | 0 | 0 | 0 | 110.4 | N64 L319 S417 S418 | N64-N67 PolarHBondContact ND2-O 2.79Å; N67-L319 HydrophobicContact CB-CD2 3.76Å; N67-L319 WeakPolarHBondContact ND2-CD2 3.29Å; N67-S417 PolarHBondContact OD1-N 2.94Å; N67-S418 PolarHBondContact ND2-O 3.26Å; N67-S418 PolarHBondContact OD1-N 3.28Å; N67-S418 VanDerWaalsContact OD1-N 3.12Å; N67-S418 PolarHBondContact OD1-O 3.41Å | ||
| 68 | V | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.8 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 106.2 | Y57 L60 N64 Y323 G414 R415 | Y57-V68 HydrophobicContact CD2-CG1 3.88Å; Y57-V68 HydrophobicContact CE2-CB 4.04Å; Y57-V68 HydrophobicContact CE2-CG1 3.81Å; L60-V68 HydrophobicContact CB-CG1 4.31Å; N64-V68 HydrophobicContact CB-CG2 4.3Å; V68-Y323 WeakPolarHBondContact CA-OH 3.34Å; V68-G414 CarbonylContact O-C 3.59Å; V68-G414 WeakPolarHBondContact O-CA 3.43Å; V68-R415 HydrophobicContact CB-CG 4.01Å; V68-R415 HydrophobicContact CG2-CG 4.34Å; V68-R415 PolarHBondContact N-O 3.15Å; V68-R415 PolarHBondContact O-N 3.02Å |
| 69 | F | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 114.6 | -178.8 | -174.5 | -115.7 | 0 | 0 | 0 | 110.9 | L319 E321 Y323 A363 V365 F400 F412 | F69-L319 HydrophobicContact CB-CB 4.47Å; F69-L319 HydrophobicContact CD1-CB 4.44Å; F69-L319 HydrophobicContact CG-CB 4.36Å; F69-E321 HydrophobicContact CB-CB 4.13Å; F69-E321 HydrophobicContact CB-CG 3.76Å; F69-Y323 PolarHBondContact N-OH 2.96Å; F69-Y323 VanDerWaalsContact N-OH 3.12Å; F69-Y323 VanDerWaalsContact O-CE2 3.32Å; F69-Y323 WeakPolarHBondContact O-CE2 3.34Å; F69-A363 HydrophobicContact CD1-CB 3.62Å; F69-A363 HydrophobicContact CE1-CB 3.63Å; F69-V365 HydrophobicContact CD1-CG1 4.15Å; F69-V365 HydrophobicContact CD2-CG1 4.26Å; F69-V365 HydrophobicContact CE1-CB 3.76Å; F69-V365 HydrophobicContact CE1-CG1 3.56Å; F69-V365 HydrophobicContact CE2-CB 4.25Å; F69-V365 HydrophobicContact CE2-CG1 3.68Å; F69-V365 HydrophobicContact CG-CG1 4.47Å; F69-V365 HydrophobicContact CZ-CB 3.46Å; F69-V365 VanDerWaalsContact CZ-CB 3.46Å; F69-V365 HydrophobicContact CZ-CG1 3.3Å; F69-V365 HydrophobicContact CZ-CG2 4.43Å; F69-F400 HydrophobicContact CD2-CE2 4.11Å; F69-F400 AromaticContact CD2-CZ 3.57Å; F69-F400 HydrophobicContact CD2-CZ 3.57Å; F69-F400 AromaticContact CE2-CE2 3.7Å; F69-F400 HydrophobicContact CE2-CE2 3.7Å; F69-F400 AromaticContact CE2-CZ 3.63Å; F69-F400 HydrophobicContact CE2-CZ 3.63Å; F69-F412 AromaticContact CE1-CD1 3.83Å; F69-F412 HydrophobicContact CE1-CD1 3.83Å; F69-F412 HydrophobicContact CE1-CE1 4.24Å; F69-F412 HydrophobicContact CE2-CB 3.74Å; F69-F412 AromaticContact CE2-CD1 3.97Å; F69-F412 HydrophobicContact CE2-CD1 3.97Å; F69-F412 HydrophobicContact CE2-CG 4.2Å; F69-F412 HydrophobicContact CZ-CB 3.84Å; F69-F412 AromaticContact CZ-CD1 3.22Å; F69-F412 HydrophobicContact CZ-CD1 3.22Å; F69-F412 AromaticContact CZ-CE1 3.95Å; F69-F412 HydrophobicContact CZ-CE1 3.95Å; F69-F412 AromaticContact CZ-CG 3.77Å; F69-F412 HydrophobicContact CZ-CG 3.77Å |
| 70 | I | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 160.6 | -178.3 | 56.9 | 169.2 | 0 | 0 | 0 | 111 | L56 L60 P72 I75 Y323 F412 L413 | L56-I70 HydrophobicContact CD2-CD1 4.03Å; L56-I70 HydrophobicContact CG-CD1 4.18Å; L60-I70 HydrophobicContact CD1-CD1 4.45Å; L60-I70 HydrophobicContact CD1-CG2 3.52Å; I70-P72 HydrophobicContact CD1-CG 4.11Å; I70-P72 HydrophobicContact CG1-CG 4.23Å; I70-P72 WeakPolarHBondContact O-CD 3.38Å; I70-I75 HydrophobicContact CB-CD1 4.19Å; I70-Y323 HydrophobicContact CG2-CD2 4.08Å; I70-Y323 HydrophobicContact CG2-CE2 3.64Å; I70-F412 WeakPolarHBondContact O-CA 3.35Å; I70-L413 HydrophobicContact CG1-CB 4.42Å; I70-L413 PolarHBondContact N-O 3.46Å; I70-L413 PolarHBondContact O-N 3.42Å |
| 71 | S | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -110.1 | 97.2 | 162.4 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | F73 S74 I75 I205 H361 L411 | S71-F73 VanDerWaalsContact C-N 3.32Å; S71-F73 PolarHBondContact O-N 2.93Å; S71-S74 PolarHBondContact O-N 2.6Å; S71-S74 VanDerWaalsContact OG-CB 3.25Å; S71-S74 WeakPolarHBondContact OG-CB 3.22Å; S71-S74 PolarHBondContact OG-N 3.05Å; S71-I75 WeakPolarHBondContact O-CD1 3.41Å; S71-I75 VanDerWaalsContact O-CG1 3.28Å; S71-I75 WeakPolarHBondContact O-CG1 3.38Å; S71-I75 PolarHBondContact O-N 2.89Å; S71-I205 VanDerWaalsContact CB-CG2 3.47Å; S71-I205 VanDerWaalsContact OG-CD1 3.3Å; S71-I205 WeakPolarHBondContact OG-CD1 3.49Å; S71-H361 PolarHBondContact N-NE2 3Å; S71-H361 VanDerWaalsContact N-NE2 3.17Å; S71-L411 VanDerWaalsContact CA-O 3.23Å; S71-L411 WeakPolarHBondContact CA-O 3.35Å; S71-L411 WeakPolarHBondContact CB-O 3.49Å; S71-L411 PolarHBondContact OG-O 3.49Å | ||
| 72 | P | 94.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | -179.8 | -20.5 | 31.4 | 0 | 0 | 0 | 112.4 | A53 I70 S74 I75 S76 I410 L413 | A53-P72 HydrophobicContact CB-CB 3.35Å; A53-P72 HydrophobicContact CB-CG 3.32Å; I70-P72 HydrophobicContact CD1-CG 4.11Å; I70-P72 HydrophobicContact CG1-CG 4.23Å; I70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-S74 PolarHBondContact O-N 2.84Å; P72-I75 PolarHBondContact O-N 3.25Å; P72-S76 WeakPolarHBondContact O-CB 3.32Å; P72-S76 PolarHBondContact O-N 2.89Å; P72-I410 HydrophobicContact CG-CG2 4.44Å; P72-L413 HydrophobicContact CG-CB 4.18Å |
| 73 | F | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.1 | -50.5 | 173.3 | 165.3 | -109.8 | 0 | 0 | 0 | 111.9 | S71 S76 S77 L113 N114 I117 L128 L411 | S71-F73 VanDerWaalsContact C-N 3.32Å; S71-F73 PolarHBondContact O-N 2.93Å; F73-S76 PolarHBondContact O-N 3.02Å; F73-S77 WeakPolarHBondContact O-CB 3.34Å; F73-S77 PolarHBondContact O-N 2.77Å; F73-S77 PolarHBondContact O-OG 3.19Å; F73-L113 HydrophobicContact CD2-CD2 3.89Å; F73-L113 HydrophobicContact CE2-CD2 3.72Å; F73-L113 HydrophobicContact CE2-CG 4Å; F73-N114 WeakPolarHBondContact CE2-OD1 3.46Å; F73-N114 WeakPolarHBondContact CZ-OD1 3.43Å; F73-I117 HydrophobicContact CD1-CD1 4.48Å; F73-I117 HydrophobicContact CD2-CD1 3.95Å; F73-I117 HydrophobicContact CE1-CD1 4.08Å; F73-I117 HydrophobicContact CE1-CG2 3.99Å; F73-I117 HydrophobicContact CE2-CD1 3.51Å; F73-I117 HydrophobicContact CG-CD1 4.4Å; F73-I117 HydrophobicContact CZ-CB 4.29Å; F73-I117 HydrophobicContact CZ-CD1 3.57Å; F73-I117 HydrophobicContact CZ-CG2 4.18Å; F73-L128 HydrophobicContact CE1-CD1 3.87Å; F73-L128 HydrophobicContact CE1-CD2 4.34Å; F73-L128 HydrophobicContact CZ-CD1 4.46Å; F73-L411 HydrophobicContact CB-CD2 4.17Å; F73-L411 HydrophobicContact CD1-CD2 3.99Å; F73-L411 HydrophobicContact CG-CD2 4.03Å |
| 74 | S | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | -178.2 | -160.7 | 0 | 0 | 0 | 0 | 112.2 | S71 P72 S76 S77 A78 L128 N130 N203 | S71-S74 PolarHBondContact O-N 2.6Å; S71-S74 VanDerWaalsContact OG-CB 3.25Å; S71-S74 WeakPolarHBondContact OG-CB 3.22Å; S71-S74 PolarHBondContact OG-N 3.05Å; P72-S74 PolarHBondContact O-N 2.84Å; S74-S76 PolarHBondContact O-N 3.11Å; S74-S77 PolarHBondContact O-N 2.95Å; S74-A78 VanDerWaalsContact O-CB 3.25Å; S74-A78 WeakPolarHBondContact O-CB 3.44Å; S74-A78 PolarHBondContact O-N 3.13Å; S74-L128 VanDerWaalsContact OG-CD2 3.25Å; S74-L128 WeakPolarHBondContact OG-CD2 3.19Å; S74-N130 PolarHBondContact OG-OD1 2.98Å; S74-N203 VanDerWaalsContact C-ND2 3.32Å; S74-N203 PolarHBondContact O-ND2 3Å; S74-N203 PolarHBondContact OG-ND2 3.34Å; S74-N203 PolarHBondContact OG-OD1 2.94Å |
| 75 | I | 96.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.2 | -65 | 163.4 | 0 | 0 | 0 | 110.4 | F52 L56 I70 S71 P72 A78 L79 L325 H361 | F52-I75 HydrophobicContact CE1-CB 4.18Å; F52-I75 HydrophobicContact CE1-CG2 3.7Å; F52-I75 HydrophobicContact CZ-CG2 3.73Å; L56-I75 HydrophobicContact CD2-CD1 3.69Å; L56-I75 HydrophobicContact CD2-CG2 4.37Å; I70-I75 HydrophobicContact CB-CD1 4.19Å; S71-I75 WeakPolarHBondContact O-CD1 3.41Å; S71-I75 VanDerWaalsContact O-CG1 3.28Å; S71-I75 WeakPolarHBondContact O-CG1 3.38Å; S71-I75 PolarHBondContact O-N 2.89Å; P72-I75 PolarHBondContact O-N 3.25Å; I75-A78 PolarHBondContact O-N 3.45Å; I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.38Å; I75-L79 WeakPolarHBondContact O-CB 3.33Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 3.15Å; I75-L325 HydrophobicContact CD1-CD1 3.89Å; I75-L325 HydrophobicContact CG1-CD1 3.95Å; I75-L325 HydrophobicContact CG2-CD1 3.77Å; I75-H361 HydrophobicContact CG1-CB 4.38Å |
| 76 | S | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 179.6 | -168.1 | 0 | 0 | 0 | 0 | 111.3 | N49 P72 F73 S74 A78 L79 A80 F110 | N49-S76 WeakPolarHBondContact OD1-CB 3.33Å; N49-S76 PolarHBondContact OD1-OG 3.2Å; P72-S76 WeakPolarHBondContact O-CB 3.32Å; P72-S76 PolarHBondContact O-N 2.89Å; F73-S76 PolarHBondContact O-N 3.02Å; S74-S76 PolarHBondContact O-N 3.11Å; S76-A78 VanDerWaalsContact C-N 3.3Å; S76-A78 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 3.07Å; S76-A80 VanDerWaalsContact O-CB 3.26Å; S76-A80 WeakPolarHBondContact O-CB 3.35Å; S76-A80 PolarHBondContact O-N 3.35Å; S76-F110 WeakPolarHBondContact OG-CZ 3.25Å |
| 77 | S | 92.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58 | -41.3 | 174 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | F73 S74 A80 M81 F110 N114 Y152 | F73-S77 WeakPolarHBondContact O-CB 3.34Å; F73-S77 PolarHBondContact O-N 2.77Å; F73-S77 PolarHBondContact O-OG 3.19Å; S74-S77 PolarHBondContact O-N 2.95Å; S77-A80 PolarHBondContact O-N 2.88Å; S77-M81 PolarHBondContact O-N 3.39Å; S77-F110 VanDerWaalsContact OG-CD1 3.28Å; S77-F110 WeakPolarHBondContact OG-CD1 3.48Å; S77-F110 VanDerWaalsContact OG-CE1 3.26Å; S77-F110 WeakPolarHBondContact OG-CE1 3.46Å; S77-N114 PolarHBondContact OG-OD1 3.35Å; S77-Y152 WeakPolarHBondContact O-CE1 3.45Å |
| 78 | A | 94.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.008 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.5 | -43.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S74 I75 S76 A80 M81 L201 N203 | S74-A78 VanDerWaalsContact O-CB 3.25Å; S74-A78 WeakPolarHBondContact O-CB 3.44Å; S74-A78 PolarHBondContact O-N 3.13Å; I75-A78 PolarHBondContact O-N 3.45Å; S76-A78 VanDerWaalsContact C-N 3.3Å; S76-A78 PolarHBondContact O-N 3.43Å; A78-A80 VanDerWaalsContact C-N 3.32Å; A78-M81 HydrophobicContact CB-CE 4.32Å; A78-M81 WeakPolarHBondContact O-CB 3.22Å; A78-M81 PolarHBondContact O-N 3.18Å; A78-L201 HydrophobicContact CB-CD1 3.95Å; A78-L201 HydrophobicContact CB-CD2 3.88Å; A78-L201 HydrophobicContact CB-CG 4.15Å; A78-L201 WeakPolarHBondContact O-CD2 3.46Å; A78-N203 HydrophobicContact CB-CB 4.21Å; A78-N203 WeakPolarHBondContact CB-ND2 3.21Å |
| 79 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.9 | -27.7 | 175.5 | -70.4 | 168.1 | 0 | 0 | 0 | 112.1 | F52 I75 S76 M81 V82 Y83 M94 L98 L201 L329 M334 L356 | F52-L79 HydrophobicContact CZ-CD1 4.17Å; I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.38Å; I75-L79 WeakPolarHBondContact O-CB 3.33Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 3.15Å; S76-L79 PolarHBondContact O-N 3.07Å; L79-M81 VanDerWaalsContact C-N 3.28Å; L79-M81 PolarHBondContact O-N 3.13Å; L79-V82 WeakPolarHBondContact O-CA 3.4Å; L79-V82 WeakPolarHBondContact O-CB 3.2Å; L79-V82 PolarHBondContact O-N 2.91Å; L79-Y83 PolarHBondContact O-N 2.73Å; L79-M94 HydrophobicContact CB-CE 4.49Å; L79-M94 VanDerWaalsContact O-CE 3.29Å; L79-M94 WeakPolarHBondContact O-CE 3.33Å; L79-L98 HydrophobicContact CB-CD1 3.91Å; L79-L98 HydrophobicContact CB-CD2 4.07Å; L79-L98 HydrophobicContact CD1-CD2 3.85Å; L79-L201 HydrophobicContact CD2-CD2 3.81Å; L79-L201 HydrophobicContact CG-CD2 4.16Å; L79-L329 HydrophobicContact CD1-CD1 3.9Å; L79-L329 HydrophobicContact CD1-CD2 3.93Å; L79-L329 HydrophobicContact CD2-CD1 4.08Å; L79-M334 HydrophobicContact CD1-CE 4.31Å; L79-M334 HydrophobicContact CD2-SD 4.33Å; L79-L356 HydrophobicContact CD2-CD2 4.45Å |
| 80 | A | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -32.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | S76 S77 A78 V82 Y83 L84 F100 H107 F110 Y152 | S76-A80 VanDerWaalsContact O-CB 3.26Å; S76-A80 WeakPolarHBondContact O-CB 3.35Å; S76-A80 PolarHBondContact O-N 3.35Å; S77-A80 PolarHBondContact O-N 2.88Å; A78-A80 VanDerWaalsContact C-N 3.32Å; A80-V82 VanDerWaalsContact C-N 3.3Å; A80-V82 PolarHBondContact O-N 3.28Å; A80-Y83 PolarHBondContact O-N 3.07Å; A80-L84 PolarHBondContact O-N 3.38Å; A80-F100 HydrophobicContact CB-CE2 4.29Å; A80-F100 HydrophobicContact CB-CZ 3.92Å; A80-H107 PolarHBondContact O-CE1 3.29Å; A80-F110 HydrophobicContact CB-CD2 3.79Å; A80-F110 HydrophobicContact CB-CE2 3.44Å; A80-F110 VanDerWaalsContact CB-CE2 3.44Å; A80-F110 HydrophobicContact CB-CZ 3.95Å; A80-Y152 HydrophobicContact CB-CE1 3.9Å; A80-Y152 WeakPolarHBondContact CB-OH 3.47Å |
| 81 | M | 94.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.4 | -36.9 | 168.9 | -65.2 | -169.9 | -75.1 | 0 | 0 | 112.4 | S77 A78 L79 L84 N130 L132 Y152 A154 L201 | S77-M81 PolarHBondContact O-N 3.39Å; A78-M81 HydrophobicContact CB-CE 4.32Å; A78-M81 WeakPolarHBondContact O-CB 3.22Å; A78-M81 PolarHBondContact O-N 3.18Å; L79-M81 VanDerWaalsContact C-N 3.28Å; L79-M81 PolarHBondContact O-N 3.13Å; M81-L84 WeakPolarHBondContact O-CB 3.2Å; M81-N130 HydrophobicContact CE-CB 3.99Å; M81-L132 HydrophobicContact CB-CD1 4.04Å; M81-Y152 HydrophobicContact CG-CD1 3.98Å; M81-Y152 HydrophobicContact CG-CD2 3.5Å; M81-Y152 HydrophobicContact CG-CE1 4.43Å; M81-Y152 HydrophobicContact CG-CE2 3.99Å; M81-Y152 HydrophobicContact CG-CG 3.5Å; M81-Y152 HydrophobicContact SD-CG 4.2Å; M81-A154 HydrophobicContact CE-CB 4.25Å; M81-A154 HydrophobicContact SD-CB 3.42Å; M81-A154 WeakPolarHBondContact SD-CB 3.34Å; M81-L201 HydrophobicContact CE-CD1 4.02Å |
| 82 | V | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.4 | -42.3 | 175 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | L79 A80 L84 G85 A86 M94 L132 L201 V337 L345 M348 L356 | L79-V82 WeakPolarHBondContact O-CA 3.4Å; L79-V82 WeakPolarHBondContact O-CB 3.2Å; L79-V82 PolarHBondContact O-N 2.91Å; A80-V82 VanDerWaalsContact C-N 3.3Å; A80-V82 PolarHBondContact O-N 3.28Å; V82-L84 VanDerWaalsContact C-N 3.26Å; V82-L84 PolarHBondContact O-N 3.4Å; V82-G85 PolarHBondContact O-N 3.31Å; V82-G85 VanDerWaalsContact O-N 3.1Å; V82-A86 PolarHBondContact O-N 3.35Å; V82-M94 HydrophobicContact CB-CE 3.77Å; V82-M94 HydrophobicContact CG1-CE 3.69Å; V82-M94 HydrophobicContact CG1-SD 4.03Å; V82-L132 HydrophobicContact CG2-CD2 3.75Å; V82-L201 HydrophobicContact CG2-CD2 4.09Å; V82-V337 HydrophobicContact CG1-CG2 3.87Å; V82-L345 HydrophobicContact CG1-CD2 4.08Å; V82-M348 HydrophobicContact CB-CE 4.16Å; V82-M348 HydrophobicContact CG1-CE 3.9Å; V82-M348 WeakPolarHBondContact O-CE 3.29Å; V82-L356 HydrophobicContact CG1-CD2 4.26Å; V82-L356 HydrophobicContact CG2-CD1 4.41Å; V82-L356 HydrophobicContact CG2-CD2 4.2Å |
| 83 | Y | 97.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 22.4 Ų | 22.4 | 16% | 0.161 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | 178.8 | 176.1 | -104.6 | 0 | 0 | 0 | 112.8 | L79 A80 G85 A86 A91 M94 A95 F100 L102 I106 H107 | L79-Y83 PolarHBondContact O-N 2.73Å; A80-Y83 PolarHBondContact O-N 3.07Å; Y83-G85 PolarHBondContact O-N 3.12Å; Y83-G85 VanDerWaalsContact O-N 3.16Å; Y83-A86 WeakPolarHBondContact O-CB 3.27Å; Y83-A86 PolarHBondContact O-N 3.29Å; Y83-A91 HydrophobicContact CD2-CB 4.38Å; Y83-A91 HydrophobicContact CE2-CB 3.93Å; Y83-A91 WeakPolarHBondContact CE2-O 3.37Å; Y83-M94 HydrophobicContact CD2-CB 3.93Å; Y83-A95 HydrophobicContact CE2-CB 3.86Å; Y83-F100 HydrophobicContact CD1-CD2 4.17Å; Y83-F100 HydrophobicContact CD1-CE2 4.02Å; Y83-F100 HydrophobicContact CE1-CD2 4.21Å; Y83-F100 HydrophobicContact CG-CD2 4.45Å; Y83-F100 HydrophobicContact CG-CE2 4.18Å; Y83-L102 VanDerWaalsContact OH-CD2 3.32Å; Y83-L102 WeakPolarHBondContact OH-CD2 3.04Å; Y83-I106 HydrophobicContact CD1-CD1 3.83Å; Y83-I106 HydrophobicContact CD1-CG1 4.38Å; Y83-I106 HydrophobicContact CE1-CD1 3.99Å; Y83-I106 HydrophobicContact CE1-CG1 4.02Å; Y83-H107 AromaticContact CD1-CE1 3.89Å; Y83-H107 AromaticContact CD1-NE2 3.87Å |
| 84 | L | 95.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 16% | 0.157 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51.7 | -37.9 | 174.5 | -176.8 | 69.8 | 0 | 0 | 0 | 112.7 | A80 M81 V82 H107 F144 T148 F151 | A80-L84 PolarHBondContact O-N 3.38Å; M81-L84 WeakPolarHBondContact O-CB 3.2Å; V82-L84 VanDerWaalsContact C-N 3.26Å; V82-L84 PolarHBondContact O-N 3.4Å; L84-H107 WeakPolarHBondContact CD1-NE2 3.47Å; L84-F144 HydrophobicContact CB-CE2 4.23Å; L84-F144 HydrophobicContact CD2-CD2 4.06Å; L84-F144 HydrophobicContact CD2-CE2 4.04Å; L84-F144 HydrophobicContact CG-CD2 4.25Å; L84-F144 HydrophobicContact CG-CE2 4.29Å; L84-T148 HydrophobicContact CD2-CG2 3.78Å; L84-F151 HydrophobicContact CD1-CD2 4.46Å; L84-F151 HydrophobicContact CD1-CE2 4.45Å |
| 85 | G | 95.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -96.6 | -5.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V82 Y83 L345 G347 | V82-G85 PolarHBondContact O-N 3.31Å; V82-G85 VanDerWaalsContact O-N 3.1Å; Y83-G85 PolarHBondContact O-N 3.12Å; Y83-G85 VanDerWaalsContact O-N 3.16Å; G85-L345 CarbonylContact O-C 3.49Å; G85-L345 WeakPolarHBondContact O-CA 3.37Å; G85-G347 WeakPolarHBondContact O-CA 3.49Å; G85-G347 PolarHBondContact O-N 3.22Å |
| 86 | A | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | trans | -79.3 | 146.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V82 Y83 T90 A91 M94 D344 L345 | V82-A86 PolarHBondContact O-N 3.35Å; Y83-A86 WeakPolarHBondContact O-CB 3.27Å; Y83-A86 PolarHBondContact O-N 3.29Å; A86-T90 HydrophobicContact CB-CG2 4.05Å; A86-A91 HydrophobicContact CB-CB 3.99Å; A86-M94 HydrophobicContact CB-SD 3.94Å; A86-D344 CarbonylContact C-O 3.56Å; A86-D344 WeakPolarHBondContact CA-O 3.39Å; A86-L345 HydrophobicContact CB-CD2 3.95Å | ||
| 87 | K | 97.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 31.4 Ų | 31.4 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | trans | -133.6 | 173.6 | 175.1 | -56.6 | -65.3 | 170.2 | -161.8 | 0 | 110.6 | T90 A91 D344 | K87-T90 WeakPolarHBondContact O-CB 3.46Å; K87-T90 PolarHBondContact O-N 3.13Å; K87-A91 PolarHBondContact O-N 3.17Å; K87-D344 WeakPolarHBondContact CB-OD2 3.49Å; K87-D344 PolarHBondContact N-O 2.93Å | ||
| 88 | G | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 55% | 0.546 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | 51.8 | -139.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T90 A91 A92 | G88-T90 PolarHBondContact O-N 2.85Å; G88-A91 PolarHBondContact O-N 2.86Å; G88-A92 PolarHBondContact O-N 3Å; G88-A92 VanDerWaalsContact O-N 3.12Å |
| 89 | D | 97.9 | Very high | 96.9 | Very high | 119 Ų | 119 | 33.4 Ų | 33.4 | 64% | 0.636 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.2 | -29.2 | -179.9 | -70.1 | -26.5 | 0 | 0 | 0 | 112.7 | A92 Q93 | D89-A92 PolarHBondContact O-N 3.49Å; D89-Q93 WeakPolarHBondContact O-CB 3.44Å; D89-Q93 VanDerWaalsContact O-CG 3.27Å; D89-Q93 WeakPolarHBondContact O-CG 3.43Å; D89-Q93 PolarHBondContact O-N 2.93Å |
| 90 | T | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -49.7 | 175.3 | -63.1 | 0 | 0 | 0 | 0 | 110.3 | A86 K87 G88 A92 Q93 M94 D336 V337 D344 L345 | A86-T90 HydrophobicContact CB-CG2 4.05Å; K87-T90 WeakPolarHBondContact O-CB 3.46Å; K87-T90 PolarHBondContact O-N 3.13Å; G88-T90 PolarHBondContact O-N 2.85Å; T90-A92 PolarHBondContact O-N 3.02Å; T90-Q93 PolarHBondContact O-N 2.64Å; T90-M94 HydrophobicContact CG2-SD 4.38Å; T90-M94 VanDerWaalsContact O-CG 3.28Å; T90-M94 WeakPolarHBondContact O-CG 3.42Å; T90-M94 PolarHBondContact O-N 2.94Å; T90-M94 VanDerWaalsContact O-N 3.11Å; T90-D336 WeakPolarHBondContact OG1-CB 3.4Å; T90-V337 HydrophobicContact CG2-CB 3.78Å; T90-V337 HydrophobicContact CG2-CG2 3.96Å; T90-D344 PolarHBondContact OG1-N 2.94Å; T90-L345 HydrophobicContact CG2-CD2 4.23Å |
| 91 | A | 97.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 12% | 0.124 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y83 A86 K87 G88 Q93 M94 A95 | Y83-A91 HydrophobicContact CD2-CB 4.38Å; Y83-A91 HydrophobicContact CE2-CB 3.93Å; Y83-A91 WeakPolarHBondContact CE2-O 3.37Å; A86-A91 HydrophobicContact CB-CB 3.99Å; K87-A91 PolarHBondContact O-N 3.17Å; G88-A91 PolarHBondContact O-N 2.86Å; A91-Q93 PolarHBondContact O-N 3.09Å; A91-M94 PolarHBondContact O-N 3.09Å; A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 3.5Å |
| 92 | A | 98 | Very high | 95.4 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 45% | 0.446 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -43 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G88 D89 T90 K96 | G88-A92 PolarHBondContact O-N 3Å; G88-A92 VanDerWaalsContact O-N 3.12Å; D89-A92 PolarHBondContact O-N 3.49Å; T90-A92 PolarHBondContact O-N 3.02Å; A92-K96 WeakPolarHBondContact O-CB 3.42Å; A92-K96 PolarHBondContact O-N 3.39Å; A92-K96 VanDerWaalsContact O-N 3.09Å |
| 93 | Q | 98.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 176.2 | -72.9 | 172.3 | 19.9 | 0 | 0 | 111.7 | D89 T90 A91 K96 V97 G333 D336 | D89-Q93 WeakPolarHBondContact O-CB 3.44Å; D89-Q93 VanDerWaalsContact O-CG 3.27Å; D89-Q93 WeakPolarHBondContact O-CG 3.43Å; D89-Q93 PolarHBondContact O-N 2.93Å; T90-Q93 PolarHBondContact O-N 2.64Å; A91-Q93 PolarHBondContact O-N 3.09Å; Q93-K96 PolarHBondContact O-N 3.42Å; Q93-V97 WeakPolarHBondContact O-CG2 3.44Å; Q93-V97 PolarHBondContact O-N 3.22Å; Q93-G333 PolarHBondContact OE1-O 2.98Å; Q93-D336 PolarHBondContact NE2-OD1 3.49Å; Q93-D336 PolarHBondContact NE2-OD2 3.38Å |
| 94 | M | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 178.3 | -71.7 | -175.3 | 76.1 | 0 | 0 | 112 | L79 V82 Y83 A86 T90 A91 K96 V97 L98 M334 V337 | L79-M94 HydrophobicContact CB-CE 4.49Å; L79-M94 VanDerWaalsContact O-CE 3.29Å; L79-M94 WeakPolarHBondContact O-CE 3.33Å; V82-M94 HydrophobicContact CB-CE 3.77Å; V82-M94 HydrophobicContact CG1-CE 3.69Å; V82-M94 HydrophobicContact CG1-SD 4.03Å; Y83-M94 HydrophobicContact CD2-CB 3.93Å; A86-M94 HydrophobicContact CB-SD 3.94Å; T90-M94 HydrophobicContact CG2-SD 4.38Å; T90-M94 VanDerWaalsContact O-CG 3.28Å; T90-M94 WeakPolarHBondContact O-CG 3.42Å; T90-M94 PolarHBondContact O-N 2.94Å; T90-M94 VanDerWaalsContact O-N 3.11Å; A91-M94 PolarHBondContact O-N 3.09Å; M94-K96 VanDerWaalsContact C-N 3.28Å; M94-K96 PolarHBondContact O-N 3.21Å; M94-V97 PolarHBondContact O-N 3.2Å; M94-L98 WeakPolarHBondContact O-CB 3.37Å; M94-L98 VanDerWaalsContact O-CG 3.31Å; M94-L98 WeakPolarHBondContact O-CG 3.47Å; M94-L98 PolarHBondContact O-N 2.66Å; M94-M334 HydrophobicContact CB-CE 4.15Å; M94-M334 HydrophobicContact CE-CE 4.37Å; M94-M334 HydrophobicContact CE-SD 4.48Å; M94-M334 HydrophobicContact CG-CE 3.92Å; M94-M334 HydrophobicContact CG-CG 3.9Å; M94-M334 HydrophobicContact CG-SD 4.06Å; M94-V337 HydrophobicContact SD-CB 4.41Å; M94-V337 HydrophobicContact SD-CG2 3.98Å |
| 95 | A | 97 | Very high | 92.8 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y83 A91 S99 F100 L102 | Y83-A95 HydrophobicContact CE2-CB 3.86Å; A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 3.5Å; A95-S99 PolarHBondContact O-N 2.81Å; A95-F100 HydrophobicContact CB-CB 4.3Å; A95-F100 PolarHBondContact O-N 2.86Å; A95-L102 HydrophobicContact CB-CD2 3.72Å; A95-L102 HydrophobicContact CB-CG 4.46Å |
| 96 | K | 97 | Very high | 92.6 | Very high | 174 Ų | 174 | 52.8 Ų | 52.8 | 76% | 0.757 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.4 | -49.2 | 176.2 | -178 | 179 | 177.6 | -178.8 | 0 | 112 | A92 Q93 M94 S99 | A92-K96 WeakPolarHBondContact O-CB 3.42Å; A92-K96 PolarHBondContact O-N 3.39Å; A92-K96 VanDerWaalsContact O-N 3.09Å; Q93-K96 PolarHBondContact O-N 3.42Å; M94-K96 VanDerWaalsContact C-N 3.28Å; M94-K96 PolarHBondContact O-N 3.21Å; K96-S99 PolarHBondContact O-N 3.29Å |
| 97 | V | 97.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | -178.8 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | F52 Q93 M94 S99 L329 L332 M334 | F52-V97 HydrophobicContact CD2-CG1 4.28Å; F52-V97 WeakPolarHBondContact CD2-O 3.45Å; F52-V97 HydrophobicContact CE2-CG1 4.12Å; Q93-V97 WeakPolarHBondContact O-CG2 3.44Å; Q93-V97 PolarHBondContact O-N 3.22Å; M94-V97 PolarHBondContact O-N 3.2Å; V97-S99 PolarHBondContact O-N 3.5Å; V97-L329 HydrophobicContact CG1-CD2 4.39Å; V97-L332 HydrophobicContact CG1-CB 3.83Å; V97-L332 HydrophobicContact CG1-CD1 4.08Å; V97-L332 HydrophobicContact CG2-CB 4.05Å; V97-L332 VanDerWaalsContact CG2-O 3.32Å; V97-L332 WeakPolarHBondContact CG2-O 3.3Å; V97-M334 HydrophobicContact CB-CB 4.36Å; V97-M334 HydrophobicContact CB-CE 4.09Å; V97-M334 HydrophobicContact CG1-CB 4.48Å; V97-M334 HydrophobicContact CG1-CE 3.98Å; V97-M334 HydrophobicContact CG2-CB 3.97Å |
| 98 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 1.5 | 177.8 | -62 | 168.8 | 0 | 0 | 0 | 113 | F52 L79 M94 F100 M334 | F52-L98 HydrophobicContact CD1-CD2 4.26Å; F52-L98 HydrophobicContact CD2-CD2 4.09Å; F52-L98 HydrophobicContact CE1-CD2 4.17Å; F52-L98 HydrophobicContact CE2-CD2 4Å; F52-L98 HydrophobicContact CG-CD2 4.2Å; F52-L98 HydrophobicContact CZ-CD2 4.03Å; L79-L98 HydrophobicContact CB-CD1 3.91Å; L79-L98 HydrophobicContact CB-CD2 4.07Å; L79-L98 HydrophobicContact CD1-CD2 3.85Å; M94-L98 WeakPolarHBondContact O-CB 3.37Å; M94-L98 VanDerWaalsContact O-CG 3.31Å; M94-L98 WeakPolarHBondContact O-CG 3.47Å; M94-L98 PolarHBondContact O-N 2.66Å; L98-F100 HydrophobicContact CB-CD1 3.72Å; L98-F100 HydrophobicContact CB-CD2 4.1Å; L98-F100 HydrophobicContact CB-CE1 3.53Å; L98-F100 HydrophobicContact CB-CE2 3.92Å; L98-F100 HydrophobicContact CB-CG 4.01Å; L98-F100 HydrophobicContact CB-CZ 3.62Å; L98-F100 HydrophobicContact CD1-CD2 4.29Å; L98-F100 HydrophobicContact CD1-CE1 4.27Å; L98-F100 HydrophobicContact CD1-CE2 3.48Å; L98-F100 VanDerWaalsContact CD1-CE2 3.48Å; L98-F100 HydrophobicContact CD1-CZ 3.47Å; L98-F100 VanDerWaalsContact CD1-CZ 3.47Å; L98-F100 HydrophobicContact CG-CE1 4.41Å; L98-F100 HydrophobicContact CG-CE2 4.33Å; L98-F100 HydrophobicContact CG-CZ 4.08Å; L98-F100 WeakPolarHBondContact O-CD1 3.48Å; L98-F100 PolarHBondContact O-N 2.75Å; L98-M334 HydrophobicContact CD1-CE 4.34Å; L98-M334 HydrophobicContact CG-CE 4.15Å |
| 99 | S | 95.1 | Very high | 91.8 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.6 | -178.5 | -56.1 | 0 | 0 | 0 | 0 | 113.7 | S48 A95 K96 V97 | S48-S99 WeakPolarHBondContact CB-O 3.38Å; S48-S99 PolarHBondContact OG-O 3.35Å; A95-S99 PolarHBondContact O-N 2.81Å; K96-S99 PolarHBondContact O-N 3.29Å; V97-S99 PolarHBondContact O-N 3.5Å |
| 100 | F | 92.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | -69.5 | 135.6 | -177.5 | -72.3 | -13.2 | 0 | 0 | 0 | 112.1 | I45 A80 Y83 A95 L98 L102 I106 F110 | I45-F100 HydrophobicContact CD1-CD1 4.13Å; I45-F100 HydrophobicContact CD1-CE1 3.94Å; A80-F100 HydrophobicContact CB-CE2 4.29Å; A80-F100 HydrophobicContact CB-CZ 3.92Å; Y83-F100 HydrophobicContact CD1-CD2 4.17Å; Y83-F100 HydrophobicContact CD1-CE2 4.02Å; Y83-F100 HydrophobicContact CE1-CD2 4.21Å; Y83-F100 HydrophobicContact CG-CD2 4.45Å; Y83-F100 HydrophobicContact CG-CE2 4.18Å; A95-F100 HydrophobicContact CB-CB 4.3Å; A95-F100 PolarHBondContact O-N 2.86Å; L98-F100 HydrophobicContact CB-CD1 3.72Å; L98-F100 HydrophobicContact CB-CD2 4.1Å; L98-F100 HydrophobicContact CB-CE1 3.53Å; L98-F100 HydrophobicContact CB-CE2 3.92Å; L98-F100 HydrophobicContact CB-CG 4.01Å; L98-F100 HydrophobicContact CB-CZ 3.62Å; L98-F100 HydrophobicContact CD1-CD2 4.29Å; L98-F100 HydrophobicContact CD1-CE1 4.27Å; L98-F100 HydrophobicContact CD1-CE2 3.48Å; L98-F100 VanDerWaalsContact CD1-CE2 3.48Å; L98-F100 HydrophobicContact CD1-CZ 3.47Å; L98-F100 VanDerWaalsContact CD1-CZ 3.47Å; L98-F100 HydrophobicContact CG-CE1 4.41Å; L98-F100 HydrophobicContact CG-CE2 4.33Å; L98-F100 HydrophobicContact CG-CZ 4.08Å; L98-F100 WeakPolarHBondContact O-CD1 3.48Å; L98-F100 PolarHBondContact O-N 2.75Å; F100-L102 PolarHBondContact O-N 3.37Å; F100-I106 HydrophobicContact CB-CG2 4.25Å; F100-I106 HydrophobicContact CD2-CD1 4.27Å; F100-I106 HydrophobicContact CD2-CG1 4.39Å; F100-I106 HydrophobicContact CE2-CD1 4.03Å; F100-I106 HydrophobicContact CG-CG2 4.39Å; F100-F110 AromaticContact CE1-CE2 3.68Å; F100-F110 HydrophobicContact CE1-CE2 3.68Å; F100-F110 AromaticContact CE1-CZ 3.9Å; F100-F110 HydrophobicContact CE1-CZ 3.9Å; F100-F110 AromaticContact CZ-CE2 3.57Å; F100-F110 HydrophobicContact CZ-CE2 3.57Å; F100-F110 AromaticContact CZ-CZ 3.99Å; F100-F110 HydrophobicContact CZ-CZ 3.99Å | ||
| 101 | N | 83.4 | Confident | 91.2 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | trans | -82.1 | 104.5 | 170.9 | -172.6 | -5.2 | 0 | 0 | 0 | 110.2 | T103 K104 | N101-T103 PolarHBondContact ND2-OG1 3.12Å; N101-T103 PolarHBondContact O-N 2.89Å; N101-T103 VanDerWaalsContact O-N 3.12Å; N101-T103 PolarHBondContact OD1-N 3.12Å; N101-T103 PolarHBondContact OD1-OG1 2.74Å; N101-K104 PolarHBondContact O-N 3.4Å | ||
| 102 | L | 79.3 | Confident | 90.9 | Very high | 116 Ų | 116 | 47.8 Ų | 47.8 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -6.6 | -176.3 | -62.7 | -179.2 | 0 | 0 | 0 | 114.6 | Y83 A95 F100 K104 | Y83-L102 VanDerWaalsContact OH-CD2 3.32Å; Y83-L102 WeakPolarHBondContact OH-CD2 3.04Å; A95-L102 HydrophobicContact CB-CD2 3.72Å; A95-L102 HydrophobicContact CB-CG 4.46Å; F100-L102 PolarHBondContact O-N 3.37Å; L102-K104 VanDerWaalsContact C-N 3.32Å |
| 103 | T | 72.6 | Confident | 90.5 | Very high | 122 Ų | 122 | 45.2 Ų | 45.2 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8 | 175.2 | 67.3 | 0 | 0 | 0 | 0 | 113.4 | N101 | N101-T103 PolarHBondContact ND2-OG1 3.12Å; N101-T103 PolarHBondContact O-N 2.89Å; N101-T103 VanDerWaalsContact O-N 3.12Å; N101-T103 PolarHBondContact OD1-N 3.12Å; N101-T103 PolarHBondContact OD1-OG1 2.74Å |
| 104 | K | 75.3 | Confident | 90 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -114.5 | 156.4 | -179.6 | -67.1 | -168.2 | 171.9 | -167 | 0 | 111.6 | S40 N101 L102 I106 | S40-K104 PolarHBondContact O-NZ 3.11Å; S40-K104 VanDerWaalsContact O-NZ 3.17Å; N101-K104 PolarHBondContact O-N 3.4Å; L102-K104 VanDerWaalsContact C-N 3.32Å; K104-I106 VanDerWaalsContact C-N 3.34Å; K104-I106 PolarHBondContact O-N 3.26Å |
| 105 | D | 86.8 | Confident | 89.6 | Confident | 86 Ų | 86 | 45.6 Ų | 45.6 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | trans | -78 | 88.2 | 167.9 | -178.4 | -1.2 | 0 | 0 | 0 | 109.8 | H107 T108 D109 | D105-H107 PolarHBondContact O-N 3.17Å; D105-H107 VanDerWaalsContact O-N 3.16Å; D105-H107 PolarHBondContact OD1-N 2.64Å; D105-H107 VanDerWaalsContact OD1-N 3.12Å; D105-T108 PolarHBondContact O-N 3.49Å; D105-T108 PolarHBondContact OD1-N 3.34Å; D105-T108 WeakPolarHBondContact OD2-CB 3.08Å; D105-T108 PolarHBondContact OD2-OG1 2.87Å; D105-D109 PolarHBondContact O-N 3.5Å | ||
| 106 | I | 90.9 | Very high | 89.2 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -28.9 | -178 | 64.9 | 92.5 | 0 | 0 | 0 | 112.9 | Y83 F100 K104 D109 F110 | Y83-I106 HydrophobicContact CD1-CD1 3.83Å; Y83-I106 HydrophobicContact CD1-CG1 4.38Å; Y83-I106 HydrophobicContact CE1-CD1 3.99Å; Y83-I106 HydrophobicContact CE1-CG1 4.02Å; F100-I106 HydrophobicContact CB-CG2 4.25Å; F100-I106 HydrophobicContact CD2-CD1 4.27Å; F100-I106 HydrophobicContact CD2-CG1 4.39Å; F100-I106 HydrophobicContact CE2-CD1 4.03Å; F100-I106 HydrophobicContact CG-CG2 4.39Å; K104-I106 VanDerWaalsContact C-N 3.34Å; K104-I106 PolarHBondContact O-N 3.26Å; I106-D109 PolarHBondContact O-N 2.91Å; I106-F110 HydrophobicContact CD1-CD2 4.23Å; I106-F110 HydrophobicContact CD1-CE2 4.41Å; I106-F110 WeakPolarHBondContact O-CD2 3.24Å; I106-F110 PolarHBondContact O-N 3.02Å |
| 107 | H | 92.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 39 Ų | 39 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75 | -39.3 | -176.7 | -63.6 | -65.8 | 0 | 0 | 0 | 110.9 | A80 Y83 L84 D105 F110 Q111 F151 Y152 | A80-H107 PolarHBondContact O-CE1 3.29Å; Y83-H107 AromaticContact CD1-CE1 3.89Å; Y83-H107 AromaticContact CD1-NE2 3.87Å; L84-H107 WeakPolarHBondContact CD1-NE2 3.47Å; D105-H107 PolarHBondContact O-N 3.17Å; D105-H107 VanDerWaalsContact O-N 3.16Å; D105-H107 PolarHBondContact OD1-N 2.64Å; D105-H107 VanDerWaalsContact OD1-N 3.12Å; H107-F110 PolarHBondContact O-N 2.82Å; H107-Q111 WeakPolarHBondContact O-CB 3.37Å; H107-Q111 PolarHBondContact O-N 3.16Å; H107-F151 HydrophobicContact CB-CB 4.33Å; H107-F151 HydrophobicContact CB-CD1 3.98Å; H107-F151 HydrophobicContact CB-CD2 3.8Å; H107-F151 HydrophobicContact CB-CE1 4.16Å; H107-F151 HydrophobicContact CB-CE2 4.01Å; H107-F151 HydrophobicContact CB-CG 3.79Å; H107-F151 HydrophobicContact CB-CZ 4.17Å; H107-Y152 AromaticContact ND1-CE2 3.77Å; H107-Y152 AromaticContact ND1-CZ 3.71Å; H107-Y152 PolarHBondContact ND1-OH 3.47Å |
| 108 | T | 91.5 | Very high | 88.2 | Confident | 50 Ų | 50 | 41.2 Ų | 41.2 | 31% | 0.307 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 171.2 | -63 | 0 | 0 | 0 | 0 | 111.5 | D105 Q111 T112 | D105-T108 PolarHBondContact O-N 3.49Å; D105-T108 PolarHBondContact OD1-N 3.34Å; D105-T108 WeakPolarHBondContact OD2-CB 3.08Å; D105-T108 PolarHBondContact OD2-OG1 2.87Å; T108-Q111 WeakPolarHBondContact O-CB 3.32Å; T108-Q111 PolarHBondContact O-N 3.25Å; T108-T112 PolarHBondContact O-N 2.77Å; T108-T112 PolarHBondContact O-OG1 3.44Å |
| 109 | D | 91.2 | Very high | 87.8 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.2 | -68.5 | -7.2 | 0 | 0 | 0 | 111.2 | A41 I45 D105 I106 T112 L113 | A41-D109 VanDerWaalsContact CB-OD1 3.23Å; A41-D109 WeakPolarHBondContact CB-OD1 3.38Å; I45-D109 HydrophobicContact CB-CB 4.16Å; I45-D109 HydrophobicContact CG2-CB 4.14Å; D105-D109 PolarHBondContact O-N 3.5Å; I106-D109 PolarHBondContact O-N 2.91Å; D109-T112 PolarHBondContact O-N 2.69Å; D109-L113 WeakPolarHBondContact O-CB 3.38Å; D109-L113 PolarHBondContact O-N 3Å |
| 110 | F | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 173 | -90.2 | -67.5 | 0 | 0 | 0 | 112.6 | I45 S76 S77 A80 F100 I106 H107 T112 L113 N114 Y152 | I45-F110 HydrophobicContact CD1-CD2 4.02Å; I45-F110 HydrophobicContact CD1-CE1 4.2Å; I45-F110 HydrophobicContact CD1-CE2 3.43Å; I45-F110 VanDerWaalsContact CD1-CE2 3.43Å; I45-F110 HydrophobicContact CD1-CZ 3.54Å; I45-F110 HydrophobicContact CG1-CD1 4.24Å; I45-F110 HydrophobicContact CG1-CD2 4.25Å; I45-F110 HydrophobicContact CG1-CE1 4Å; I45-F110 HydrophobicContact CG1-CE2 4Å; I45-F110 HydrophobicContact CG1-CG 4.36Å; I45-F110 HydrophobicContact CG1-CZ 3.87Å; S76-F110 WeakPolarHBondContact OG-CZ 3.25Å; S77-F110 VanDerWaalsContact OG-CD1 3.28Å; S77-F110 WeakPolarHBondContact OG-CD1 3.48Å; S77-F110 VanDerWaalsContact OG-CE1 3.26Å; S77-F110 WeakPolarHBondContact OG-CE1 3.46Å; A80-F110 HydrophobicContact CB-CD2 3.79Å; A80-F110 HydrophobicContact CB-CE2 3.44Å; A80-F110 VanDerWaalsContact CB-CE2 3.44Å; A80-F110 HydrophobicContact CB-CZ 3.95Å; F100-F110 AromaticContact CE1-CE2 3.68Å; F100-F110 HydrophobicContact CE1-CE2 3.68Å; F100-F110 AromaticContact CE1-CZ 3.9Å; F100-F110 HydrophobicContact CE1-CZ 3.9Å; F100-F110 AromaticContact CZ-CE2 3.57Å; F100-F110 HydrophobicContact CZ-CE2 3.57Å; F100-F110 AromaticContact CZ-CZ 3.99Å; F100-F110 HydrophobicContact CZ-CZ 3.99Å; I106-F110 HydrophobicContact CD1-CD2 4.23Å; I106-F110 HydrophobicContact CD1-CE2 4.41Å; I106-F110 WeakPolarHBondContact O-CD2 3.24Å; I106-F110 PolarHBondContact O-N 3.02Å; H107-F110 PolarHBondContact O-N 2.82Å; F110-T112 VanDerWaalsContact C-N 3.29Å; F110-T112 PolarHBondContact O-N 3.08Å; F110-L113 PolarHBondContact O-N 2.92Å; F110-N114 WeakPolarHBondContact O-CB 3.2Å; F110-N114 PolarHBondContact O-N 3.09Å; F110-N114 PolarHBondContact O-ND2 2.93Å; F110-N114 VanDerWaalsContact O-ND2 3.1Å; F110-Y152 HydrophobicContact CB-CE1 3.68Å; F110-Y152 HydrophobicContact CD1-CE1 4.33Å; F110-Y152 HydrophobicContact CD2-CE1 4.2Å; F110-Y152 AromaticContact CG-CE1 3.84Å; F110-Y152 HydrophobicContact CG-CE1 3.84Å |
| 111 | Q | 91.9 | Very high | 86.8 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 177.4 | -172.4 | -176.5 | 15.7 | 0 | 0 | 110.9 | H107 T108 G115 K150 F151 | H107-Q111 WeakPolarHBondContact O-CB 3.37Å; H107-Q111 PolarHBondContact O-N 3.16Å; T108-Q111 WeakPolarHBondContact O-CB 3.32Å; T108-Q111 PolarHBondContact O-N 3.25Å; Q111-G115 PolarHBondContact O-N 2.88Å; Q111-K150 PolarHBondContact NE2-O 3.15Å; Q111-F151 WeakPolarHBondContact CA-O 3.48Å; Q111-F151 HydrophobicContact CB-CD1 4.16Å |
| 112 | T | 91 | Very high | 86.8 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 23% | 0.233 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 178.1 | -54.8 | 0 | 0 | 0 | 0 | 111 | Q38 M42 T108 D109 F110 N114 G115 D116 | Q38-T112 HydrophobicContact CB-CG2 4.49Å; Q38-T112 HydrophobicContact CG-CG2 4.42Å; M42-T112 HydrophobicContact CG-CG2 3.91Å; M42-T112 HydrophobicContact SD-CG2 4.07Å; T108-T112 PolarHBondContact O-N 2.77Å; T108-T112 PolarHBondContact O-OG1 3.44Å; D109-T112 PolarHBondContact O-N 2.69Å; F110-T112 VanDerWaalsContact C-N 3.29Å; F110-T112 PolarHBondContact O-N 3.08Å; T112-N114 PolarHBondContact O-N 3.27Å; T112-G115 PolarHBondContact O-N 3.43Å; T112-D116 PolarHBondContact O-N 3.01Å |
| 113 | L | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 179.9 | -177.7 | 68.4 | 0 | 0 | 0 | 112 | M42 I45 F73 D109 F110 G115 D116 I117 S407 | M42-L113 HydrophobicContact CB-CD1 4.46Å; M42-L113 HydrophobicContact CG-CB 4.45Å; M42-L113 HydrophobicContact CG-CD1 4.39Å; I45-L113 HydrophobicContact CG2-CB 4.22Å; I45-L113 HydrophobicContact CG2-CD2 3.84Å; I45-L113 HydrophobicContact CG2-CG 4.48Å; F73-L113 HydrophobicContact CD2-CD2 3.89Å; F73-L113 HydrophobicContact CE2-CD2 3.72Å; F73-L113 HydrophobicContact CE2-CG 4Å; D109-L113 WeakPolarHBondContact O-CB 3.38Å; D109-L113 PolarHBondContact O-N 3Å; F110-L113 PolarHBondContact O-N 2.92Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-G115 PolarHBondContact O-N 3.49Å; L113-D116 PolarHBondContact O-N 3.28Å; L113-I117 HydrophobicContact CD1-CD1 3.69Å; L113-I117 HydrophobicContact CD1-CG1 4.36Å; L113-I117 HydrophobicContact CD2-CD1 4.3Å; L113-I117 HydrophobicContact CG-CD1 3.69Å; L113-I117 WeakPolarHBondContact O-CB 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.46Å; L113-S407 WeakPolarHBondContact CD1-OG 3.49Å |
| 114 | N | 89.1 | Confident | 87.8 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.064 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 178.2 | -72.6 | -28.3 | 0 | 0 | 0 | 111.5 | F73 S77 F110 T112 N118 | F73-N114 WeakPolarHBondContact CE2-OD1 3.46Å; F73-N114 WeakPolarHBondContact CZ-OD1 3.43Å; S77-N114 PolarHBondContact OG-OD1 3.35Å; F110-N114 WeakPolarHBondContact O-CB 3.2Å; F110-N114 PolarHBondContact O-N 3.09Å; F110-N114 PolarHBondContact O-ND2 2.93Å; F110-N114 VanDerWaalsContact O-ND2 3.1Å; T112-N114 PolarHBondContact O-N 3.27Å; N114-N118 VanDerWaalsContact O-CB 3.31Å; N114-N118 WeakPolarHBondContact O-CB 3.41Å; N114-N118 PolarHBondContact O-N 3.35Å; N114-N118 PolarHBondContact O-ND2 3.28Å |
| 115 | G | 88.8 | Confident | 88.2 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q111 T112 L113 S119 | Q111-G115 PolarHBondContact O-N 2.88Å; T112-G115 PolarHBondContact O-N 3.43Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-G115 PolarHBondContact O-N 3.49Å; G115-S119 PolarHBondContact O-N 3.4Å |
| 116 | D | 88.9 | Confident | 88.2 | Confident | 41 Ų | 41 | 37.5 Ų | 37.5 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.4 | -48.3 | 177.4 | -153.3 | 45.6 | 0 | 0 | 0 | 111.3 | M42 T112 L113 S119 H404 K406 | M42-D116 HydrophobicContact SD-CB 4.12Å; T112-D116 PolarHBondContact O-N 3.01Å; L113-D116 PolarHBondContact O-N 3.28Å; D116-S119 PolarHBondContact O-N 2.81Å; D116-H404 IonicContact OD2-CE1 3.54Å; D116-H404 PolarHBondContact OD2-CE1 3.44Å; D116-H404 VanDerWaalsContact OD2-CE1 3.31Å; D116-K406 IonicContact OD1-NZ 2.66Å; D116-K406 PolarHBondContact OD1-NZ 3.38Å; D116-K406 WeakPolarHBondContact OD2-CD 3.37Å; D116-K406 WeakPolarHBondContact OD2-CE 3.29Å; D116-K406 IonicContact OD2-NZ 2.63Å; D116-K406 PolarHBondContact OD2-NZ 3.05Å |
| 117 | I | 88.9 | Confident | 88 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.4 | -36.7 | -178.4 | -69.6 | 166 | 0 | 0 | 0 | 112.4 | F73 L113 S119 Y124 L126 H404 L411 | F73-I117 HydrophobicContact CD1-CD1 4.48Å; F73-I117 HydrophobicContact CD2-CD1 3.95Å; F73-I117 HydrophobicContact CE1-CD1 4.08Å; F73-I117 HydrophobicContact CE1-CG2 3.99Å; F73-I117 HydrophobicContact CE2-CD1 3.51Å; F73-I117 HydrophobicContact CG-CD1 4.4Å; F73-I117 HydrophobicContact CZ-CB 4.29Å; F73-I117 HydrophobicContact CZ-CD1 3.57Å; F73-I117 HydrophobicContact CZ-CG2 4.18Å; L113-I117 HydrophobicContact CD1-CD1 3.69Å; L113-I117 HydrophobicContact CD1-CG1 4.36Å; L113-I117 HydrophobicContact CD2-CD1 4.3Å; L113-I117 HydrophobicContact CG-CD1 3.69Å; L113-I117 WeakPolarHBondContact O-CB 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.46Å; I117-S119 VanDerWaalsContact C-N 3.34Å; I117-Y124 PolarHBondContact O-OH 3.44Å; I117-L126 HydrophobicContact CG2-CD2 3.38Å; I117-H404 HydrophobicContact CG1-CB 4.38Å; I117-L411 HydrophobicContact CD1-CD2 3.64Å; I117-L411 HydrophobicContact CG1-CD2 4.28Å; I117-L411 HydrophobicContact CG2-CD1 4.16Å; I117-L411 HydrophobicContact CG2-CD2 4.17Å |
| 118 | N | 85.4 | Confident | 87.6 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 25.7 | -179.8 | -58.5 | -77.3 | 0 | 0 | 0 | 112.3 | N114 L128 | N114-N118 VanDerWaalsContact O-CB 3.31Å; N114-N118 WeakPolarHBondContact O-CB 3.41Å; N114-N118 PolarHBondContact O-N 3.35Å; N114-N118 PolarHBondContact O-ND2 3.28Å; N118-L128 WeakPolarHBondContact ND2-CD1 3.28Å; N118-L128 WeakPolarHBondContact OD1-CD1 3.4Å |
| 119 | S | 86.8 | Confident | 87.4 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | trans | -56.8 | 132 | 178 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | G115 D116 I117 S121 A122 | G115-S119 PolarHBondContact O-N 3.4Å; D116-S119 PolarHBondContact O-N 2.81Å; I117-S119 VanDerWaalsContact C-N 3.34Å; S119-S121 PolarHBondContact O-N 2.86Å; S119-S121 PolarHBondContact OG-N 3.3Å; S119-S121 PolarHBondContact OG-OG 3.16Å; S119-A122 WeakPolarHBondContact O-CB 3.49Å; S119-A122 PolarHBondContact O-N 3.1Å | ||
| 120 | P | 82.3 | Confident | 87.3 | Confident | 139 Ų | 139 | 40.6 Ų | 40.6 | 90% | 0.903 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.7 | 173.4 | -23.6 | 33.8 | 0 | 0 | 0 | 113.9 | ||
| 121 | S | 83.8 | Confident | 87.4 | Confident | 95 Ų | 95 | 41.8 Ų | 41.8 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.1 | 176.1 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | S119 | S119-S121 PolarHBondContact O-N 2.86Å; S119-S121 PolarHBondContact OG-N 3.3Å; S119-S121 PolarHBondContact OG-OG 3.16Å |
| 122 | A | 84.1 | Confident | 87.5 | Confident | 21 Ų | 21 | 39 Ų | 39 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | trans | -62 | 142.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | S119 Y124 E265 | S119-A122 WeakPolarHBondContact O-CB 3.49Å; S119-A122 PolarHBondContact O-N 3.1Å; A122-Y124 HydrophobicContact CB-CD1 4.05Å; A122-Y124 HydrophobicContact CB-CE1 3.76Å; A122-Y124 HydrophobicContact CB-CE2 4.28Å; A122-Y124 HydrophobicContact CB-CG 4.44Å; A122-Y124 PolarHBondContact O-N 3.31Å; A122-E265 WeakPolarHBondContact CA-OE2 3.14Å | ||
| 123 | S | 85.5 | Confident | 87.8 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -73.9 | -4.6 | 179.9 | 60 | 0 | 0 | 0 | 0 | 114 | V262 D263 E265 | S123-V262 PolarHBondContact OG-O 3.24Å; S123-V262 VanDerWaalsContact OG-O 3.05Å; S123-D263 WeakPolarHBondContact CB-OD2 3.12Å; S123-E265 PolarHBondContact N-OE2 3.47Å; S123-E265 PolarHBondContact OG-OE2 2.93Å |
| 124 | Y | 86.5 | Confident | 88.1 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 7% | 0.071 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -125 | 161.1 | -175.8 | 56.6 | -89.9 | 0 | 0 | 0 | 112.1 | I117 A122 L126 F207 E265 L266 | I117-Y124 PolarHBondContact O-OH 3.44Å; A122-Y124 HydrophobicContact CB-CD1 4.05Å; A122-Y124 HydrophobicContact CB-CE1 3.76Å; A122-Y124 HydrophobicContact CB-CE2 4.28Å; A122-Y124 HydrophobicContact CB-CG 4.44Å; A122-Y124 PolarHBondContact O-N 3.31Å; Y124-L126 HydrophobicContact CD2-CB 4.02Å; Y124-L126 HydrophobicContact CE2-CB 3.94Å; Y124-F207 HydrophobicContact CD2-CD2 4.48Å; Y124-F207 HydrophobicContact CD2-CE2 4.17Å; Y124-F207 HydrophobicContact CG-CE2 4.27Å; Y124-E265 HydrophobicContact CD1-CB 4.41Å; Y124-E265 HydrophobicContact CE1-CB 3.89Å; Y124-L266 HydrophobicContact CD1-CD1 3.44Å; Y124-L266 VanDerWaalsContact CD1-CD1 3.44Å; Y124-L266 HydrophobicContact CD1-CG 3.78Å; Y124-L266 HydrophobicContact CD2-CD1 3.56Å; Y124-L266 HydrophobicContact CE1-CD1 3.62Å; Y124-L266 HydrophobicContact CE1-CD2 4.27Å; Y124-L266 HydrophobicContact CE1-CG 3.6Å; Y124-L266 HydrophobicContact CE2-CD1 3.72Å; Y124-L266 HydrophobicContact CE2-CG 4.4Å; Y124-L266 HydrophobicContact CG-CD1 3.4Å; Y124-L266 HydrophobicContact CG-CG 4.26Å |
| 125 | I | 84.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 111.6 | 173.2 | -59.7 | 171.5 | 0 | 0 | 0 | 107.9 | K127 Y206 F207 K208 | I125-K127 HydrophobicContact CG2-CD 4.45Å; I125-K127 HydrophobicContact CG2-CG 3.96Å; I125-Y206 HydrophobicContact CG2-CE1 4.27Å; I125-F207 CarbonylContact O-C 3.53Å; I125-F207 WeakPolarHBondContact O-CA 3.3Å; I125-K208 HydrophobicContact CB-CB 4.26Å; I125-K208 PolarHBondContact N-O 3.07Å; I125-K208 PolarHBondContact O-N 2.8Å |
| 126 | L | 87 | Confident | 88.6 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.3 | 164.7 | -162.8 | 71.2 | 0 | 0 | 0 | 108.7 | I117 Y124 I205 F207 L411 F412 | I117-L126 HydrophobicContact CG2-CD2 3.38Å; Y124-L126 HydrophobicContact CD2-CB 4.02Å; Y124-L126 HydrophobicContact CE2-CB 3.94Å; L126-I205 HydrophobicContact CD1-CD1 3.92Å; L126-I205 HydrophobicContact CD1-CG1 4.16Å; L126-I205 HydrophobicContact CG-CD1 4.39Å; L126-F207 HydrophobicContact CD1-CB 3.93Å; L126-F207 HydrophobicContact CD1-CD2 3.99Å; L126-F207 HydrophobicContact CD1-CG 4.42Å; L126-L411 HydrophobicContact CD2-CD1 4.3Å; L126-F412 HydrophobicContact CD1-CE2 3.75Å; L126-F412 HydrophobicContact CD1-CZ 3.87Å |
| 127 | K | 85 | Confident | 88.8 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 43% | 0.426 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 112.9 | 176.4 | -63.4 | -62.6 | -177.3 | -171.6 | 0 | 108.9 | I125 I205 Y206 | I125-K127 HydrophobicContact CG2-CD 4.45Å; I125-K127 HydrophobicContact CG2-CG 3.96Å; K127-I205 WeakPolarHBondContact O-CA 3.23Å; K127-Y206 HydrophobicContact CB-CD1 4.29Å; K127-Y206 HydrophobicContact CG-CD1 4.13Å; K127-Y206 PolarHBondContact N-O 2.93Å; K127-Y206 PolarHBondContact O-N 2.59Å |
| 128 | L | 85.6 | Confident | 88.9 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125 | 175.4 | -66.3 | 164.1 | 0 | 0 | 0 | 109.3 | F73 S74 N118 I205 | F73-L128 HydrophobicContact CE1-CD1 3.87Å; F73-L128 HydrophobicContact CE1-CD2 4.34Å; F73-L128 HydrophobicContact CZ-CD1 4.46Å; S74-L128 VanDerWaalsContact OG-CD2 3.25Å; S74-L128 WeakPolarHBondContact OG-CD2 3.19Å; N118-L128 WeakPolarHBondContact ND2-CD1 3.28Å; N118-L128 WeakPolarHBondContact OD1-CD1 3.4Å; L128-I205 HydrophobicContact CD2-CB 4.09Å; L128-I205 HydrophobicContact CD2-CD1 3.39Å; L128-I205 HydrophobicContact CD2-CG1 3.65Å; L128-I205 HydrophobicContact CG-CD1 4.46Å; L128-I205 HydrophobicContact CG-CG1 4.5Å |
| 129 | A | 86.3 | Confident | 89.1 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 81.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | W175 Q179 T180 A204 | A129-W175 HydrophobicContact CB-CH2 4.16Å; A129-W175 HydrophobicContact CB-CZ3 3.98Å; A129-Q179 HydrophobicContact CB-CB 3.64Å; A129-Q179 HydrophobicContact CB-CG 4.3Å; A129-T180 HydrophobicContact CB-CG2 3.97Å; A129-A204 HydrophobicContact CB-CB 3.94Å; A129-A204 PolarHBondContact N-O 3.13Å; A129-A204 PolarHBondContact O-N 3.14Å |
| 130 | N | 89.5 | Confident | 89.4 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.4 | -177.4 | -62.9 | -9.2 | 0 | 0 | 0 | 108.9 | S74 M81 V202 N203 | S74-N130 PolarHBondContact OG-OD1 2.98Å; M81-N130 HydrophobicContact CE-CB 3.99Å; N130-V202 WeakPolarHBondContact CA-O 3.31Å; N130-N203 VanDerWaalsContact CG-ND2 3.3Å; N130-N203 PolarHBondContact OD1-ND2 3.14Å |
| 131 | R | 93.7 | Very high | 90.1 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 143.8 | 179.2 | 175 | 164.7 | -74.6 | 169 | 0.7 | 112.4 | Y133 D155 W175 V202 | R131-Y133 HydrophobicContact CB-CD2 4.41Å; R131-Y133 HydrophobicContact CB-CE2 3.81Å; R131-Y133 WeakPolarHBondContact CD-OH 3.37Å; R131-Y133 HydrophobicContact CG-CD2 3.91Å; R131-Y133 HydrophobicContact CG-CE1 4.31Å; R131-Y133 HydrophobicContact CG-CE2 3.5Å; R131-Y133 HydrophobicContact CG-CG 4.48Å; R131-D155 VanDerWaalsContact CG-O 3.28Å; R131-D155 WeakPolarHBondContact CG-O 3.47Å; R131-D155 PolarHBondContact NE-O 2.66Å; R131-D155 IonicContact NH2-OD2 2.69Å; R131-D155 PolarHBondContact NH2-OD2 2.86Å; R131-W175 HydrophobicContact CB-CH2 3.51Å; R131-W175 HydrophobicContact CB-CZ2 4.2Å; R131-W175 HydrophobicContact CB-CZ3 3.71Å; R131-W175 VanDerWaalsContact CZ-CZ2 3.48Å; R131-W175 VanDerWaalsContact NH1-CD1 3.28Å; R131-V202 PolarHBondContact N-O 3.05Å; R131-V202 PolarHBondContact O-N 2.99Å |
| 132 | L | 95.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.1 | 166.6 | -74.9 | 168.3 | 0 | 0 | 0 | 109.9 | M81 V82 F144 M156 K157 L199 L201 | M81-L132 HydrophobicContact CB-CD1 4.04Å; V82-L132 HydrophobicContact CG2-CD2 3.75Å; L132-F144 HydrophobicContact CD1-CE1 4.42Å; L132-F144 HydrophobicContact CD1-CZ 3.91Å; L132-M156 HydrophobicContact CB-CB 4.32Å; L132-M156 HydrophobicContact CB-CG 3.74Å; L132-M156 CarbonylContact O-C 3.59Å; L132-M156 WeakPolarHBondContact O-CA 3.33Å; L132-M156 VanDerWaalsContact O-CG 3.29Å; L132-M156 WeakPolarHBondContact O-CG 3.2Å; L132-K157 PolarHBondContact O-N 3.32Å; L132-L199 HydrophobicContact CB-CD1 4.47Å; L132-L199 HydrophobicContact CD2-CD1 4.14Å; L132-L199 HydrophobicContact CD2-CD2 4.33Å; L132-L199 HydrophobicContact CD2-CG 4.23Å; L132-L201 HydrophobicContact CD2-CB 4Å; L132-L201 HydrophobicContact CD2-CD1 3.6Å; L132-L201 HydrophobicContact CD2-CG 4.38Å; L132-L201 HydrophobicContact CG-CD1 3.99Å |
| 133 | Y | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.6 | 173.7 | -69.2 | -89.6 | 0 | 0 | 0 | 109.3 | R131 K157 V159 I172 L199 A200 V202 | R131-Y133 HydrophobicContact CB-CD2 4.41Å; R131-Y133 HydrophobicContact CB-CE2 3.81Å; R131-Y133 WeakPolarHBondContact CD-OH 3.37Å; R131-Y133 HydrophobicContact CG-CD2 3.91Å; R131-Y133 HydrophobicContact CG-CE1 4.31Å; R131-Y133 HydrophobicContact CG-CE2 3.5Å; R131-Y133 HydrophobicContact CG-CG 4.48Å; Y133-K157 CarbonylContact C-O 3.41Å; Y133-K157 VanDerWaalsContact CA-O 3.27Å; Y133-K157 WeakPolarHBondContact CA-O 3.29Å; Y133-K157 HydrophobicContact CD1-CB 3.88Å; Y133-K157 HydrophobicContact CE1-CB 3.9Å; Y133-K157 HydrophobicContact CE1-CD 4.09Å; Y133-K157 HydrophobicContact CE1-CG 4.41Å; Y133-V159 HydrophobicContact CD1-CG1 3.86Å; Y133-V159 HydrophobicContact CD1-CG2 4.48Å; Y133-V159 HydrophobicContact CE1-CG1 4.44Å; Y133-I172 HydrophobicContact CD1-CD1 4.12Å; Y133-I172 HydrophobicContact CD1-CG1 3.68Å; Y133-I172 HydrophobicContact CD2-CD1 4.21Å; Y133-I172 HydrophobicContact CD2-CG1 4Å; Y133-I172 HydrophobicContact CD2-CG2 4.46Å; Y133-I172 HydrophobicContact CE1-CG1 3.59Å; Y133-I172 HydrophobicContact CE2-CB 4.45Å; Y133-I172 HydrophobicContact CE2-CG1 3.92Å; Y133-I172 HydrophobicContact CE2-CG2 3.97Å; Y133-I172 HydrophobicContact CG-CD1 3.95Å; Y133-I172 HydrophobicContact CG-CG1 3.88Å; Y133-L199 CarbonylContact O-C 3.43Å; Y133-L199 WeakPolarHBondContact O-CA 3.36Å; Y133-A200 PolarHBondContact N-O 3.09Å; Y133-A200 PolarHBondContact O-N 3Å; Y133-V202 HydrophobicContact CD2-CB 4.14Å; Y133-V202 HydrophobicContact CD2-CG2 3.87Å; Y133-V202 HydrophobicContact CE2-CB 3.94Å; Y133-V202 HydrophobicContact CE2-CG1 4.31Å; Y133-V202 HydrophobicContact CE2-CG2 3.95Å |
| 134 | G | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K136 K157 A158 V159 | G134-K136 PolarHBondContact O-N 3.39Å; G134-K157 PolarHBondContact N-O 3Å; G134-A158 CarbonylContact O-C 3.53Å; G134-A158 WeakPolarHBondContact O-CA 3.49Å; G134-V159 PolarHBondContact O-N 3.28Å |
| 135 | E | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 132.2 | 167.6 | 173.9 | 52.8 | -139.5 | 0 | 0 | 110.2 | T137 C138 V159 F161 L162 R198 | E135-T137 WeakPolarHBondContact CG-OG1 3.44Å; E135-T137 PolarHBondContact O-N 2.73Å; E135-T137 VanDerWaalsContact O-N 3.1Å; E135-C138 VanDerWaalsContact O-CB 3.28Å; E135-C138 WeakPolarHBondContact O-CB 3.38Å; E135-C138 PolarHBondContact O-N 3.2Å; E135-V159 CarbonylContact C-O 3Å; E135-V159 WeakPolarHBondContact CA-O 3.39Å; E135-F161 HydrophobicContact CB-CD2 4.4Å; E135-F161 WeakPolarHBondContact OE2-CA 3.42Å; E135-F161 WeakPolarHBondContact OE2-CB 3.27Å; E135-F161 PolarHBondContact OE2-N 2.78Å; E135-L162 PolarHBondContact OE2-N 3.19Å; E135-R198 PolarHBondContact N-O 3.44Å |
| 136 | K | 94.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20 | -173 | 65.5 | 171.3 | 179.4 | -170 | 0 | 114.8 | G134 C138 A158 V159 D160 | G134-K136 PolarHBondContact O-N 3.39Å; K136-C138 VanDerWaalsContact C-N 3.27Å; K136-A158 HydrophobicContact CB-CB 4.25Å; K136-V159 WeakPolarHBondContact CB-O 3.42Å; K136-V159 PolarHBondContact N-O 3.33Å; K136-D160 HydrophobicContact CD-CB 3.82Å; K136-D160 WeakPolarHBondContact CE-OD1 3.46Å; K136-D160 WeakPolarHBondContact CE-OD2 3.34Å; K136-D160 HydrophobicContact CG-CB 4.4Å; K136-D160 IonicContact NZ-OD1 2.66Å; K136-D160 PolarHBondContact NZ-OD1 3.39Å; K136-D160 IonicContact NZ-OD2 2.74Å; K136-D160 PolarHBondContact NZ-OD2 2.91Å |
| 137 | T | 92.4 | Very high | 92.7 | Very high | 90 Ų | 90 | 52 Ų | 52 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.4 | 175.6 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | E135 | E135-T137 WeakPolarHBondContact CG-OG1 3.44Å; E135-T137 PolarHBondContact O-N 2.73Å; E135-T137 VanDerWaalsContact O-N 3.1Å |
| 138 | C | 89.8 | Confident | 93 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -81.3 | 133.5 | 174.6 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | E135 K136 F140 | E135-C138 VanDerWaalsContact O-CB 3.28Å; E135-C138 WeakPolarHBondContact O-CB 3.38Å; E135-C138 PolarHBondContact O-N 3.2Å; K136-C138 VanDerWaalsContact C-N 3.27Å; C138-F140 HydrophobicContact CB-CE2 3.74Å; C138-F140 HydrophobicContact CB-CZ 3.84Å; C138-F140 WeakPolarHBondContact O-CD2 3.38Å; C138-F140 WeakPolarHBondContact O-CE2 3.44Å |
| 139 | N | 91.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 50.4 Ų | 50.4 | 57% | 0.567 | 26% | 0.259 | S | S | * | . | trans | -80.3 | 147.7 | 167.9 | -64.7 | -31.9 | 0 | 0 | 0 | 109.5 | N349 | N139-N349 WeakPolarHBondContact O-CB 3.42Š| ||
| 140 | F | 93.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | trans | -130.5 | 139.1 | 175.7 | -64.7 | -86.7 | 0 | 0 | 0 | 109.9 | C138 L145 M156 M348 L354 | C138-F140 HydrophobicContact CB-CE2 3.74Å; C138-F140 HydrophobicContact CB-CZ 3.84Å; C138-F140 WeakPolarHBondContact O-CD2 3.38Å; C138-F140 WeakPolarHBondContact O-CE2 3.44Å; F140-L145 HydrophobicContact CB-CD1 4.47Å; F140-L145 HydrophobicContact CB-CD2 4.33Å; F140-L145 HydrophobicContact CB-CG 4.45Å; F140-M156 HydrophobicContact CB-CE 3.75Å; F140-M156 HydrophobicContact CB-SD 4.44Å; F140-M156 HydrophobicContact CD1-CE 3.59Å; F140-M156 HydrophobicContact CD1-SD 3.43Å; F140-M156 WeakPolarHBondContact CD1-SD 3.24Å; F140-M156 HydrophobicContact CD2-CE 3.11Å; F140-M156 HydrophobicContact CD2-SD 4.09Å; F140-M156 HydrophobicContact CE1-CE 3.89Å; F140-M156 HydrophobicContact CE1-SD 3.51Å; F140-M156 VanDerWaalsContact CE1-SD 3.51Å; F140-M156 HydrophobicContact CE2-CE 3.45Å; F140-M156 VanDerWaalsContact CE2-CE 3.45Å; F140-M156 HydrophobicContact CE2-SD 4.14Å; F140-M156 HydrophobicContact CG-CE 3.18Å; F140-M156 HydrophobicContact CG-SD 3.74Å; F140-M156 HydrophobicContact CZ-CE 3.83Å; F140-M156 HydrophobicContact CZ-SD 3.87Å; F140-M348 CarbonylContact C-O 3.56Å; F140-M348 WeakPolarHBondContact CA-O 3.39Å; F140-M348 HydrophobicContact CD1-CB 4.42Å; F140-L354 HydrophobicContact CE1-CD2 3.98Å | ||
| 141 | L | 95.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | trans | -69.9 | 133.2 | -178.5 | -63.1 | 176.1 | 0 | 0 | 0 | 110 | E143 F144 L145 M348 | L141-E143 PolarHBondContact O-N 3.36Å; L141-F144 HydrophobicContact CB-CB 4.19Å; L141-F144 WeakPolarHBondContact O-CB 3.25Å; L141-F144 PolarHBondContact O-N 2.85Å; L141-F144 VanDerWaalsContact O-N 3.07Å; L141-L145 PolarHBondContact O-N 2.98Å; L141-L145 VanDerWaalsContact O-N 3.13Å; L141-M348 PolarHBondContact N-O 2.9Å | ||
| 142 | T | 94.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55.5 | -41.8 | 175.9 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | F144 L145 E146 | T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 2.86Å; T142-L145 PolarHBondContact O-N 3.03Å; T142-E146 HydrophobicContact CG2-CG 4.23Å; T142-E146 WeakPolarHBondContact CG2-OE1 3.25Å; T142-E146 WeakPolarHBondContact O-CB 3.39Å; T142-E146 WeakPolarHBondContact O-CG 3.43Å; T142-E146 PolarHBondContact O-N 2.86Å |
| 143 | E | 94.9 | Very high | 93.1 | Very high | 149 Ų | 149 | 61.2 Ų | 61.2 | 70% | 0.696 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60 | -38.3 | 178 | -176.2 | 179.1 | -176 | 0 | 0 | 112.5 | L141 S147 | L141-E143 PolarHBondContact O-N 3.36Å; E143-S147 VanDerWaalsContact O-CB 3.22Å; E143-S147 WeakPolarHBondContact O-CB 3.43Å; E143-S147 PolarHBondContact O-N 3Å; E143-S147 PolarHBondContact O-OG 2.8Å |
| 144 | F | 94.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -47.1 | 175.8 | 173.5 | -103.3 | 0 | 0 | 0 | 110.8 | L84 L132 L141 T142 S147 T148 M156 M348 | L84-F144 HydrophobicContact CB-CE2 4.23Å; L84-F144 HydrophobicContact CD2-CD2 4.06Å; L84-F144 HydrophobicContact CD2-CE2 4.04Å; L84-F144 HydrophobicContact CG-CD2 4.25Å; L84-F144 HydrophobicContact CG-CE2 4.29Å; L132-F144 HydrophobicContact CD1-CE1 4.42Å; L132-F144 HydrophobicContact CD1-CZ 3.91Å; L141-F144 HydrophobicContact CB-CB 4.19Å; L141-F144 WeakPolarHBondContact O-CB 3.25Å; L141-F144 PolarHBondContact O-N 2.85Å; L141-F144 VanDerWaalsContact O-N 3.07Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 2.86Å; F144-S147 PolarHBondContact O-N 2.96Å; F144-T148 HydrophobicContact CD2-CG2 4.4Å; F144-T148 HydrophobicContact CE1-CG2 4.03Å; F144-T148 HydrophobicContact CE2-CG2 3.9Å; F144-T148 HydrophobicContact CZ-CG2 3.7Å; F144-T148 WeakPolarHBondContact O-CG2 3.41Å; F144-T148 PolarHBondContact O-N 2.78Å; F144-T148 PolarHBondContact O-OG1 2.98Å; F144-M156 HydrophobicContact CE1-SD 4.11Å; F144-M348 HydrophobicContact CD1-CB 4.25Å; F144-M348 HydrophobicContact CD1-CG 4.36Å; F144-M348 HydrophobicContact CD2-CG 4.04Å; F144-M348 HydrophobicContact CE1-CB 4.29Å; F144-M348 HydrophobicContact CE1-CG 4.05Å; F144-M348 HydrophobicContact CE1-SD 4.32Å; F144-M348 HydrophobicContact CE2-CE 3.97Å; F144-M348 HydrophobicContact CE2-CG 3.72Å; F144-M348 HydrophobicContact CE2-SD 4.38Å; F144-M348 HydrophobicContact CG-CB 4.36Å; F144-M348 HydrophobicContact CG-CG 4.36Å; F144-M348 HydrophobicContact CZ-CB 4.45Å; F144-M348 HydrophobicContact CZ-CE 3.75Å; F144-M348 HydrophobicContact CZ-CG 3.73Å; F144-M348 HydrophobicContact CZ-SD 3.91Å |
| 145 | L | 93.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 178.4 | -62.2 | 177.2 | 0 | 0 | 0 | 111.8 | F140 L141 T142 S147 T148 H149 M156 | F140-L145 HydrophobicContact CB-CD1 4.47Å; F140-L145 HydrophobicContact CB-CD2 4.33Å; F140-L145 HydrophobicContact CB-CG 4.45Å; L141-L145 PolarHBondContact O-N 2.98Å; L141-L145 VanDerWaalsContact O-N 3.13Å; T142-L145 PolarHBondContact O-N 3.03Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-S147 PolarHBondContact O-N 2.99Å; L145-T148 PolarHBondContact O-N 3.31Å; L145-T148 PolarHBondContact O-OG1 3.05Å; L145-H149 PolarHBondContact O-N 2.83Å; L145-H149 VanDerWaalsContact O-N 3.07Å; L145-M156 HydrophobicContact CD2-CB 3.74Å; L145-M156 HydrophobicContact CD2-CE 3.61Å; L145-M156 HydrophobicContact CD2-CG 4.47Å; L145-M156 HydrophobicContact CD2-SD 3.94Å |
| 146 | E | 94.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.3 | -40.9 | 177.4 | -72.5 | 177.4 | 174.9 | 0 | 0 | 111.8 | T142 H149 K150 | T142-E146 HydrophobicContact CG2-CG 4.23Å; T142-E146 WeakPolarHBondContact CG2-OE1 3.25Å; T142-E146 WeakPolarHBondContact O-CB 3.39Å; T142-E146 WeakPolarHBondContact O-CG 3.43Å; T142-E146 PolarHBondContact O-N 2.86Å; E146-H149 PolarHBondContact O-N 3.42Å; E146-K150 VanDerWaalsContact O-CB 3.28Å; E146-K150 WeakPolarHBondContact O-CB 3.25Å; E146-K150 PolarHBondContact O-N 3.47Å |
| 147 | S | 93.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 65.4 Ų | 65.4 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | E143 F144 L145 H149 K150 F151 | E143-S147 VanDerWaalsContact O-CB 3.22Å; E143-S147 WeakPolarHBondContact O-CB 3.43Å; E143-S147 PolarHBondContact O-N 3Å; E143-S147 PolarHBondContact O-OG 2.8Å; F144-S147 PolarHBondContact O-N 2.96Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-S147 PolarHBondContact O-N 2.99Å; S147-H149 VanDerWaalsContact C-N 3.33Å; S147-H149 PolarHBondContact O-N 2.96Å; S147-K150 PolarHBondContact O-N 3.32Å; S147-F151 WeakPolarHBondContact O-CD2 3.49Å; S147-F151 PolarHBondContact O-N 3.17Å |
| 148 | T | 92.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 174.1 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | L84 F144 L145 Y152 A154 | L84-T148 HydrophobicContact CD2-CG2 3.78Å; F144-T148 HydrophobicContact CD2-CG2 4.4Å; F144-T148 HydrophobicContact CE1-CG2 4.03Å; F144-T148 HydrophobicContact CE2-CG2 3.9Å; F144-T148 HydrophobicContact CZ-CG2 3.7Å; F144-T148 WeakPolarHBondContact O-CG2 3.41Å; F144-T148 PolarHBondContact O-N 2.78Å; F144-T148 PolarHBondContact O-OG1 2.98Å; L145-T148 PolarHBondContact O-N 3.31Å; L145-T148 PolarHBondContact O-OG1 3.05Å; T148-Y152 WeakPolarHBondContact O-CB 3.41Å; T148-Y152 PolarHBondContact O-N 3.34Å; T148-A154 CarbonylContact C-O 3.56Å |
| 149 | H | 91.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.8 | -176.3 | -81.6 | 0 | 0 | 0 | 111.6 | L145 E146 S147 H153 D155 | L145-H149 PolarHBondContact O-N 2.83Å; L145-H149 VanDerWaalsContact O-N 3.07Å; E146-H149 PolarHBondContact O-N 3.42Å; S147-H149 VanDerWaalsContact C-N 3.33Å; S147-H149 PolarHBondContact O-N 2.96Å; H149-H153 VanDerWaalsContact O-CA 3.27Å; H149-H153 WeakPolarHBondContact O-CA 3.41Å; H149-H153 PolarHBondContact O-N 2.73Å; H149-D155 IonicContact CD2-OD1 3.88Å |
| 150 | K | 92.5 | Very high | 92.4 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | -179.4 | 179.9 | -172.4 | 172.5 | -168.8 | 0 | 112.6 | Q111 E146 S147 | Q111-K150 PolarHBondContact NE2-O 3.15Å; E146-K150 VanDerWaalsContact O-CB 3.28Å; E146-K150 WeakPolarHBondContact O-CB 3.25Å; E146-K150 PolarHBondContact O-N 3.47Å; S147-K150 PolarHBondContact O-N 3.32Å |
| 151 | F | 91.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -89.3 | -28.3 | -170.3 | -61.4 | -60.1 | 0 | 0 | 0 | 113.4 | L84 H107 Q111 S147 | L84-F151 HydrophobicContact CD1-CD2 4.46Å; L84-F151 HydrophobicContact CD1-CE2 4.45Å; H107-F151 HydrophobicContact CB-CB 4.33Å; H107-F151 HydrophobicContact CB-CD1 3.98Å; H107-F151 HydrophobicContact CB-CD2 3.8Å; H107-F151 HydrophobicContact CB-CE1 4.16Å; H107-F151 HydrophobicContact CB-CE2 4.01Å; H107-F151 HydrophobicContact CB-CG 3.79Å; H107-F151 HydrophobicContact CB-CZ 4.17Å; Q111-F151 WeakPolarHBondContact CA-O 3.48Å; Q111-F151 HydrophobicContact CB-CD1 4.16Å; S147-F151 WeakPolarHBondContact O-CD2 3.49Å; S147-F151 PolarHBondContact O-N 3.17Å |
| 152 | Y | 89.9 | Confident | 92.7 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 9% | 0.086 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -123.4 | -3.8 | -170.5 | -58.2 | -81 | 0 | 0 | 0 | 114.3 | S77 A80 M81 H107 F110 T148 A154 | S77-Y152 WeakPolarHBondContact O-CE1 3.45Å; A80-Y152 HydrophobicContact CB-CE1 3.9Å; A80-Y152 WeakPolarHBondContact CB-OH 3.47Å; M81-Y152 HydrophobicContact CG-CD1 3.98Å; M81-Y152 HydrophobicContact CG-CD2 3.5Å; M81-Y152 HydrophobicContact CG-CE1 4.43Å; M81-Y152 HydrophobicContact CG-CE2 3.99Å; M81-Y152 HydrophobicContact CG-CG 3.5Å; M81-Y152 HydrophobicContact SD-CG 4.2Å; H107-Y152 AromaticContact ND1-CE2 3.77Å; H107-Y152 AromaticContact ND1-CZ 3.71Å; H107-Y152 PolarHBondContact ND1-OH 3.47Å; F110-Y152 HydrophobicContact CB-CE1 3.68Å; F110-Y152 HydrophobicContact CD1-CE1 4.33Å; F110-Y152 HydrophobicContact CD2-CE1 4.2Å; F110-Y152 AromaticContact CG-CE1 3.84Å; F110-Y152 HydrophobicContact CG-CE1 3.84Å; T148-Y152 WeakPolarHBondContact O-CB 3.41Å; T148-Y152 PolarHBondContact O-N 3.34Å; Y152-A154 PolarHBondContact O-N 2.74Å; Y152-A154 VanDerWaalsContact O-N 3.13Å |
| 153 | H | 87.5 | Confident | 92.8 | Very high | 128 Ų | 128 | 57.9 Ų | 57.9 | 59% | 0.593 | 31% | 0.306 | S | S | * | . | trans | 51.1 | 32.3 | -173.2 | -56.4 | 90.8 | 0 | 0 | 0 | 112.4 | H149 | H149-H153 VanDerWaalsContact O-CA 3.27Å; H149-H153 WeakPolarHBondContact O-CA 3.41Å; H149-H153 PolarHBondContact O-N 2.73Å | ||
| 154 | A | 86.4 | Confident | 92.9 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | trans | -118.4 | 125.6 | -175 | 0 | 0 | 0 | 0 | 0 | 109.4 | M81 T148 Y152 | M81-A154 HydrophobicContact CE-CB 4.25Å; M81-A154 HydrophobicContact SD-CB 3.42Å; M81-A154 WeakPolarHBondContact SD-CB 3.34Å; T148-A154 CarbonylContact C-O 3.56Å; Y152-A154 PolarHBondContact O-N 2.74Å; Y152-A154 VanDerWaalsContact O-N 3.13Å | ||
| 155 | D | 84.4 | Confident | 93 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | trans | -79.9 | 151.6 | 168.8 | -47.2 | -56.4 | 0 | 0 | 0 | 110 | R131 H149 | R131-D155 VanDerWaalsContact CG-O 3.28Å; R131-D155 WeakPolarHBondContact CG-O 3.47Å; R131-D155 PolarHBondContact NE-O 2.66Å; R131-D155 IonicContact NH2-OD2 2.69Å; R131-D155 PolarHBondContact NH2-OD2 2.86Å; H149-D155 IonicContact CD2-OD1 3.88Å | ||
| 156 | M | 89.1 | Confident | 93.2 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 143.1 | 160 | -170.4 | -165.1 | 81 | 0 | 0 | 109.5 | L132 F140 F144 L145 | L132-M156 HydrophobicContact CB-CB 4.32Å; L132-M156 HydrophobicContact CB-CG 3.74Å; L132-M156 CarbonylContact O-C 3.59Å; L132-M156 WeakPolarHBondContact O-CA 3.33Å; L132-M156 VanDerWaalsContact O-CG 3.29Å; L132-M156 WeakPolarHBondContact O-CG 3.2Å; F140-M156 HydrophobicContact CB-CE 3.75Å; F140-M156 HydrophobicContact CB-SD 4.44Å; F140-M156 HydrophobicContact CD1-CE 3.59Å; F140-M156 HydrophobicContact CD1-SD 3.43Å; F140-M156 WeakPolarHBondContact CD1-SD 3.24Å; F140-M156 HydrophobicContact CD2-CE 3.11Å; F140-M156 HydrophobicContact CD2-SD 4.09Å; F140-M156 HydrophobicContact CE1-CE 3.89Å; F140-M156 HydrophobicContact CE1-SD 3.51Å; F140-M156 VanDerWaalsContact CE1-SD 3.51Å; F140-M156 HydrophobicContact CE2-CE 3.45Å; F140-M156 VanDerWaalsContact CE2-CE 3.45Å; F140-M156 HydrophobicContact CE2-SD 4.14Å; F140-M156 HydrophobicContact CG-CE 3.18Å; F140-M156 HydrophobicContact CG-SD 3.74Å; F140-M156 HydrophobicContact CZ-CE 3.83Å; F140-M156 HydrophobicContact CZ-SD 3.87Å; F144-M156 HydrophobicContact CE1-SD 4.11Å; L145-M156 HydrophobicContact CD2-CB 3.74Å; L145-M156 HydrophobicContact CD2-CE 3.61Å; L145-M156 HydrophobicContact CD2-CG 4.47Å; L145-M156 HydrophobicContact CD2-SD 3.94Å |
| 157 | K | 92.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 53.5 Ų | 53.5 | 35% | 0.348 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.5 | 177.4 | -166.9 | 170.8 | -172.4 | -175.3 | 0 | 111.9 | L132 Y133 G134 V159 E171 | L132-K157 PolarHBondContact O-N 3.32Å; Y133-K157 CarbonylContact C-O 3.41Å; Y133-K157 VanDerWaalsContact CA-O 3.27Å; Y133-K157 WeakPolarHBondContact CA-O 3.29Å; Y133-K157 HydrophobicContact CD1-CB 3.88Å; Y133-K157 HydrophobicContact CE1-CB 3.9Å; Y133-K157 HydrophobicContact CE1-CD 4.09Å; Y133-K157 HydrophobicContact CE1-CG 4.41Å; G134-K157 PolarHBondContact N-O 3Å; K157-V159 HydrophobicContact CG-CG1 4.33Å; K157-E171 VanDerWaalsContact CD-OE1 3.29Å; K157-E171 WeakPolarHBondContact CD-OE1 3.32Å; K157-E171 WeakPolarHBondContact CE-OE1 3.27Å; K157-E171 VanDerWaalsContact NZ-CD 3.31Å; K157-E171 IonicContact NZ-OE1 3.14Å; K157-E171 PolarHBondContact NZ-OE1 2.9Å; K157-E171 IonicContact NZ-OE2 3.88Å |
| 158 | A | 94.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G134 K136 | G134-A158 CarbonylContact O-C 3.53Å; G134-A158 WeakPolarHBondContact O-CA 3.49Å; K136-A158 HydrophobicContact CB-CB 4.25Å |
| 159 | V | 96.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 160.6 | 179.3 | -63.8 | 0 | 0 | 0 | 0 | 111 | Y133 G134 E135 K136 K157 F161 A168 | Y133-V159 HydrophobicContact CD1-CG1 3.86Å; Y133-V159 HydrophobicContact CD1-CG2 4.48Å; Y133-V159 HydrophobicContact CE1-CG1 4.44Å; G134-V159 PolarHBondContact O-N 3.28Å; E135-V159 CarbonylContact C-O 3Å; E135-V159 WeakPolarHBondContact CA-O 3.39Å; K136-V159 WeakPolarHBondContact CB-O 3.42Å; K136-V159 PolarHBondContact N-O 3.33Å; K157-V159 HydrophobicContact CG-CG1 4.33Å; V159-F161 HydrophobicContact CG2-CD1 4.19Å; V159-F161 HydrophobicContact CG2-CD2 3.75Å; V159-F161 HydrophobicContact CG2-CE1 3.81Å; V159-F161 HydrophobicContact CG2-CE2 3.34Å; V159-F161 HydrophobicContact CG2-CG 4.16Å; V159-F161 HydrophobicContact CG2-CZ 3.38Å; V159-F161 PolarHBondContact O-N 3.03Å; V159-A168 HydrophobicContact CB-CB 4.04Å; V159-A168 HydrophobicContact CG2-CB 4.13Å |
| 160 | D | 97.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | trans | -91.9 | 73.4 | -178.6 | -171.5 | 11 | 0 | 0 | 0 | 111.7 | K136 L162 G163 A164 A165 | K136-D160 HydrophobicContact CD-CB 3.82Å; K136-D160 WeakPolarHBondContact CE-OD1 3.46Å; K136-D160 WeakPolarHBondContact CE-OD2 3.34Å; K136-D160 HydrophobicContact CG-CB 4.4Å; K136-D160 IonicContact NZ-OD1 2.66Å; K136-D160 PolarHBondContact NZ-OD1 3.39Å; K136-D160 IonicContact NZ-OD2 2.74Å; K136-D160 PolarHBondContact NZ-OD2 2.91Å; D160-L162 VanDerWaalsContact C-N 3.32Å; D160-G163 WeakPolarHBondContact OD1-CA 3.1Å; D160-G163 PolarHBondContact OD1-N 2.99Å; D160-A164 HydrophobicContact CB-CB 4.12Å; D160-A164 CarbonylContact O-C 3.6Å; D160-A164 VanDerWaalsContact O-CA 3.27Å; D160-A164 WeakPolarHBondContact O-CA 3.22Å; D160-A164 PolarHBondContact O-N 3.26Å; D160-A165 PolarHBondContact O-N 2.87Å | ||
| 161 | F | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 171.8 | -62.4 | -62.7 | 0 | 0 | 0 | 111.2 | E135 V159 G163 A165 A168 I172 V193 A195 T197 A200 | E135-F161 HydrophobicContact CB-CD2 4.4Å; E135-F161 WeakPolarHBondContact OE2-CA 3.42Å; E135-F161 WeakPolarHBondContact OE2-CB 3.27Å; E135-F161 PolarHBondContact OE2-N 2.78Å; V159-F161 HydrophobicContact CG2-CD1 4.19Å; V159-F161 HydrophobicContact CG2-CD2 3.75Å; V159-F161 HydrophobicContact CG2-CE1 3.81Å; V159-F161 HydrophobicContact CG2-CE2 3.34Å; V159-F161 HydrophobicContact CG2-CG 4.16Å; V159-F161 HydrophobicContact CG2-CZ 3.38Å; V159-F161 PolarHBondContact O-N 3.03Å; F161-G163 PolarHBondContact O-N 3.49Å; F161-A165 WeakPolarHBondContact O-CB 3.38Å; F161-A165 PolarHBondContact O-N 3.5Å; F161-A168 HydrophobicContact CD1-CB 3.87Å; F161-A168 HydrophobicContact CE1-CB 3.96Å; F161-I172 HydrophobicContact CE1-CD1 3.93Å; F161-I172 HydrophobicContact CZ-CD1 3.96Å; F161-V193 HydrophobicContact CD1-CB 4.03Å; F161-V193 HydrophobicContact CD1-CG1 4.46Å; F161-V193 HydrophobicContact CD1-CG2 4.31Å; F161-V193 HydrophobicContact CE1-CB 3.9Å; F161-V193 HydrophobicContact CE1-CG1 3.86Å; F161-V193 HydrophobicContact CE1-CG2 4.16Å; F161-V193 HydrophobicContact CZ-CG1 4.49Å; F161-A195 VanDerWaalsContact O-CA 3.29Å; F161-A195 WeakPolarHBondContact O-CA 3.36Å; F161-T197 HydrophobicContact CD1-CG2 4.05Å; F161-T197 HydrophobicContact CD2-CG2 3.52Å; F161-T197 HydrophobicContact CE1-CG2 4.06Å; F161-T197 HydrophobicContact CE2-CG2 3.52Å; F161-T197 HydrophobicContact CG-CG2 3.79Å; F161-T197 HydrophobicContact CZ-CG2 3.79Å; F161-A200 HydrophobicContact CZ-CB 4.08Å |
| 162 | L | 96.2 | Very high | 94.6 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | -175.5 | -173.7 | 67.8 | 0 | 0 | 0 | 112.9 | E135 D160 A195 | E135-L162 PolarHBondContact OE2-N 3.19Å; D160-L162 VanDerWaalsContact C-N 3.32Å; L162-A195 HydrophobicContact CD1-CB 4.47Å |
| 163 | G | 97.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -101.1 | -24.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D160 F161 | D160-G163 WeakPolarHBondContact OD1-CA 3.1Å; D160-G163 PolarHBondContact OD1-N 2.99Å; F161-G163 PolarHBondContact O-N 3.49Å |
| 164 | A | 97.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -148.3 | 50.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D160 E166 E167 A168 | D160-A164 HydrophobicContact CB-CB 4.12Å; D160-A164 CarbonylContact O-C 3.6Å; D160-A164 VanDerWaalsContact O-CA 3.27Å; D160-A164 WeakPolarHBondContact O-CA 3.22Å; D160-A164 PolarHBondContact O-N 3.26Å; A164-E166 VanDerWaalsContact C-N 3.32Å; A164-E166 PolarHBondContact O-N 2.91Å; A164-E167 VanDerWaalsContact C-OE2 3.25Å; A164-E167 VanDerWaalsContact CA-OE2 3.27Å; A164-E167 WeakPolarHBondContact CA-OE2 3.12Å; A164-E167 HydrophobicContact CB-CB 4.13Å; A164-E167 HydrophobicContact CB-CG 4.37Å; A164-E167 WeakPolarHBondContact CB-OE2 3.36Å; A164-E167 PolarHBondContact O-N 3.41Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 2.98Å |
| 165 | A | 97.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -37.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D160 F161 R169 V193 | D160-A165 PolarHBondContact O-N 2.87Å; F161-A165 WeakPolarHBondContact O-CB 3.38Å; F161-A165 PolarHBondContact O-N 3.5Å; A165-R169 WeakPolarHBondContact O-CB 3.46Å; A165-R169 PolarHBondContact O-N 2.85Å; A165-V193 WeakPolarHBondContact O-CG2 3.33Å |
| 166 | E | 97.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -75.5 | -35.2 | -179.4 | -78.3 | -62.5 | 137.9 | 0 | 0 | 111.9 | A164 R169 G170 G191 | A164-E166 VanDerWaalsContact C-N 3.32Å; A164-E166 PolarHBondContact O-N 2.91Å; E166-R169 WeakPolarHBondContact O-CB 3.31Å; E166-R169 PolarHBondContact O-N 3.27Å; E166-R169 IonicContact OE1-NE 3.34Å; E166-R169 IonicContact OE2-CZ 3.38Å; E166-R169 IonicContact OE2-NE 3.01Å; E166-R169 PolarHBondContact OE2-NE 3.12Å; E166-R169 IonicContact OE2-NH2 2.63Å; E166-R169 PolarHBondContact OE2-NH2 2.78Å; E166-G170 PolarHBondContact O-N 2.92Å; E166-G191 PolarHBondContact OE1-N 3Å |
| 167 | E | 97.6 | Very high | 96.5 | Very high | 131 Ų | 131 | 42.6 Ų | 42.6 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 170.2 | -64.5 | 82.8 | 172 | 0 | 0 | 110.7 | A164 R169 G170 E171 | A164-E167 VanDerWaalsContact C-OE2 3.25Å; A164-E167 VanDerWaalsContact CA-OE2 3.27Å; A164-E167 WeakPolarHBondContact CA-OE2 3.12Å; A164-E167 HydrophobicContact CB-CB 4.13Å; A164-E167 HydrophobicContact CB-CG 4.37Å; A164-E167 WeakPolarHBondContact CB-OE2 3.36Å; A164-E167 PolarHBondContact O-N 3.41Å; E167-R169 VanDerWaalsContact C-N 3.3Å; E167-R169 PolarHBondContact O-N 3.09Å; E167-G170 PolarHBondContact O-N 3.37Å; E167-E171 PolarHBondContact O-N 3.02Å |
| 168 | A | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V159 F161 A164 E171 I172 | V159-A168 HydrophobicContact CB-CB 4.04Å; V159-A168 HydrophobicContact CG2-CB 4.13Å; F161-A168 HydrophobicContact CD1-CB 3.87Å; F161-A168 HydrophobicContact CE1-CB 3.96Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 2.98Å; A168-E171 PolarHBondContact O-N 3.44Å; A168-I172 WeakPolarHBondContact O-CD1 3.37Å; A168-I172 WeakPolarHBondContact O-CG1 3.47Å; A168-I172 PolarHBondContact O-N 2.91Å |
| 169 | R | 97.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 174.1 | -168.8 | -173.7 | 63.6 | 76.7 | 6.2 | 111.9 | A165 E166 E167 E171 I172 N173 L188 K189 V193 | A165-R169 WeakPolarHBondContact O-CB 3.46Å; A165-R169 PolarHBondContact O-N 2.85Å; E166-R169 WeakPolarHBondContact O-CB 3.31Å; E166-R169 PolarHBondContact O-N 3.27Å; E166-R169 IonicContact OE1-NE 3.34Å; E166-R169 IonicContact OE2-CZ 3.38Å; E166-R169 IonicContact OE2-NE 3.01Å; E166-R169 PolarHBondContact OE2-NE 3.12Å; E166-R169 IonicContact OE2-NH2 2.63Å; E166-R169 PolarHBondContact OE2-NH2 2.78Å; E167-R169 VanDerWaalsContact C-N 3.3Å; E167-R169 PolarHBondContact O-N 3.09Å; R169-E171 VanDerWaalsContact C-N 3.35Å; R169-I172 PolarHBondContact O-N 3.34Å; R169-N173 PolarHBondContact NH1-ND2 3.27Å; R169-N173 PolarHBondContact O-N 2.98Å; R169-L188 WeakPolarHBondContact CD-O 3.44Å; R169-L188 HydrophobicContact CG-CB 3.66Å; R169-L188 HydrophobicContact CG-CD1 4.37Å; R169-L188 PolarHBondContact NH1-O 3.24Å; R169-K189 VanDerWaalsContact CD-O 3.29Å; R169-K189 WeakPolarHBondContact CD-O 3.47Å; R169-V193 HydrophobicContact CB-CG2 3.7Å; R169-V193 HydrophobicContact CG-CG2 4.09Å |
| 170 | G | 97.5 | Very high | 95.9 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E166 E167 N173 G174 | E166-G170 PolarHBondContact O-N 2.92Å; E167-G170 PolarHBondContact O-N 3.37Å; G170-N173 PolarHBondContact O-N 2.91Å; G170-G174 PolarHBondContact O-N 2.8Å |
| 171 | E | 97.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.8 | -168.5 | -166.6 | 116.6 | 0 | 0 | 112.2 | K157 E167 A168 R169 G174 W175 | K157-E171 VanDerWaalsContact CD-OE1 3.29Å; K157-E171 WeakPolarHBondContact CD-OE1 3.32Å; K157-E171 WeakPolarHBondContact CE-OE1 3.27Å; K157-E171 VanDerWaalsContact NZ-CD 3.31Å; K157-E171 IonicContact NZ-OE1 3.14Å; K157-E171 PolarHBondContact NZ-OE1 2.9Å; K157-E171 IonicContact NZ-OE2 3.88Å; E167-E171 PolarHBondContact O-N 3.02Å; A168-E171 PolarHBondContact O-N 3.44Å; R169-E171 VanDerWaalsContact C-N 3.35Å; E171-G174 PolarHBondContact O-N 3.4Å; E171-W175 PolarHBondContact O-N 2.86Å |
| 172 | I | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 177.4 | -68.9 | 163.9 | 0 | 0 | 0 | 110.4 | Y133 F161 A168 R169 G174 W175 V176 L188 V202 | Y133-I172 HydrophobicContact CD1-CD1 4.12Å; Y133-I172 HydrophobicContact CD1-CG1 3.68Å; Y133-I172 HydrophobicContact CD2-CD1 4.21Å; Y133-I172 HydrophobicContact CD2-CG1 4Å; Y133-I172 HydrophobicContact CD2-CG2 4.46Å; Y133-I172 HydrophobicContact CE1-CG1 3.59Å; Y133-I172 HydrophobicContact CE2-CB 4.45Å; Y133-I172 HydrophobicContact CE2-CG1 3.92Å; Y133-I172 HydrophobicContact CE2-CG2 3.97Å; Y133-I172 HydrophobicContact CG-CD1 3.95Å; Y133-I172 HydrophobicContact CG-CG1 3.88Å; F161-I172 HydrophobicContact CE1-CD1 3.93Å; F161-I172 HydrophobicContact CZ-CD1 3.96Å; A168-I172 WeakPolarHBondContact O-CD1 3.37Å; A168-I172 WeakPolarHBondContact O-CG1 3.47Å; A168-I172 PolarHBondContact O-N 2.91Å; R169-I172 PolarHBondContact O-N 3.34Å; I172-G174 PolarHBondContact O-N 3.43Å; I172-W175 PolarHBondContact O-N 3.31Å; I172-V176 WeakPolarHBondContact O-CG2 3.43Å; I172-V176 PolarHBondContact O-N 2.96Å; I172-L188 HydrophobicContact CB-CD1 3.97Å; I172-L188 HydrophobicContact CD1-CD1 3.72Å; I172-L188 HydrophobicContact CG1-CD1 4.44Å; I172-L188 HydrophobicContact CG2-CD1 3.55Å; I172-L188 HydrophobicContact CG2-CG 4.08Å; I172-V202 HydrophobicContact CG2-CG1 4.34Å; I172-V202 HydrophobicContact CG2-CG2 3.66Å |
| 173 | N | 96.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 179.6 | -77.9 | -12.4 | 0 | 0 | 0 | 111.9 | R169 G170 W175 V176 E177 L187 L188 | R169-N173 PolarHBondContact NH1-ND2 3.27Å; R169-N173 PolarHBondContact O-N 2.98Å; G170-N173 PolarHBondContact O-N 2.91Å; N173-W175 VanDerWaalsContact C-N 3.33Å; N173-W175 PolarHBondContact O-N 2.91Å; N173-V176 PolarHBondContact O-N 3Å; N173-E177 WeakPolarHBondContact O-CB 3.38Å; N173-E177 PolarHBondContact O-N 3.39Å; N173-L187 PolarHBondContact OD1-N 2.92Å; N173-L188 PolarHBondContact ND2-O 2.93Å; N173-L188 PolarHBondContact OD1-N 2.94Å |
| 174 | G | 97 | Very high | 94.3 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G170 E171 I172 Q178 | G170-G174 PolarHBondContact O-N 2.8Å; E171-G174 PolarHBondContact O-N 3.4Å; I172-G174 PolarHBondContact O-N 3.43Å; G174-Q178 WeakPolarHBondContact O-CB 3.26Å; G174-Q178 PolarHBondContact O-N 3.47Å |
| 175 | W | 95.9 | Very high | 94.1 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.4 | 178.6 | 78.7 | 0 | 0 | 0 | 112.1 | A129 R131 E171 I172 N173 E177 Q178 Q179 V202 | A129-W175 HydrophobicContact CB-CH2 4.16Å; A129-W175 HydrophobicContact CB-CZ3 3.98Å; R131-W175 HydrophobicContact CB-CH2 3.51Å; R131-W175 HydrophobicContact CB-CZ2 4.2Å; R131-W175 HydrophobicContact CB-CZ3 3.71Å; R131-W175 VanDerWaalsContact CZ-CZ2 3.48Å; R131-W175 VanDerWaalsContact NH1-CD1 3.28Å; E171-W175 PolarHBondContact O-N 2.86Å; I172-W175 PolarHBondContact O-N 3.31Å; N173-W175 VanDerWaalsContact C-N 3.33Å; N173-W175 PolarHBondContact O-N 2.91Å; W175-E177 VanDerWaalsContact C-N 3.34Å; W175-E177 PolarHBondContact O-N 3.22Å; W175-Q178 PolarHBondContact O-N 3.42Å; W175-Q179 HydrophobicContact CD2-CG 3.86Å; W175-Q179 HydrophobicContact CE3-CG 4.3Å; W175-Q179 HydrophobicContact CG-CG 4.41Å; W175-Q179 HydrophobicContact CH2-CG 4.04Å; W175-Q179 HydrophobicContact CZ2-CG 3.53Å; W175-Q179 HydrophobicContact CZ3-CG 4.38Å; W175-Q179 WeakPolarHBondContact O-CG 2.92Å; W175-Q179 PolarHBondContact O-N 2.85Å; W175-V202 HydrophobicContact CZ3-CG1 4.39Å |
| 176 | V | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | I172 N173 Q178 Q179 T180 I184 L187 V202 A204 | I172-V176 WeakPolarHBondContact O-CG2 3.43Å; I172-V176 PolarHBondContact O-N 2.96Å; N173-V176 PolarHBondContact O-N 3Å; V176-Q178 VanDerWaalsContact C-N 3.31Å; V176-Q178 PolarHBondContact O-N 2.63Å; V176-Q179 PolarHBondContact O-N 3.27Å; V176-T180 HydrophobicContact CG1-CG2 4.27Å; V176-T180 WeakPolarHBondContact O-CB 3.3Å; V176-T180 VanDerWaalsContact O-CG2 3.29Å; V176-T180 WeakPolarHBondContact O-CG2 3.39Å; V176-T180 PolarHBondContact O-N 3.46Å; V176-T180 PolarHBondContact O-OG1 3.2Å; V176-I184 HydrophobicContact CG1-CB 4.23Å; V176-I184 HydrophobicContact CG1-CG2 3.9Å; V176-L187 HydrophobicContact CG1-CB 4.24Å; V176-L187 HydrophobicContact CG1-CD2 4.33Å; V176-L187 HydrophobicContact CG2-CD2 3.78Å; V176-V202 HydrophobicContact CG2-CG1 3.49Å; V176-V202 VanDerWaalsContact CG2-CG1 3.49Å; V176-A204 HydrophobicContact CG1-CB 3.52Å |
| 177 | E | 94.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 177.7 | -172.2 | 176.4 | -173.8 | 0 | 0 | 110.6 | N173 W175 T180 A181 N182 I184 K185 | N173-E177 WeakPolarHBondContact O-CB 3.38Å; N173-E177 PolarHBondContact O-N 3.39Å; W175-E177 VanDerWaalsContact C-N 3.34Å; W175-E177 PolarHBondContact O-N 3.22Å; E177-T180 PolarHBondContact O-N 2.95Å; E177-T180 PolarHBondContact O-OG1 3.08Å; E177-A181 PolarHBondContact O-N 2.92Å; E177-N182 HydrophobicContact CG-CB 4.02Å; E177-N182 WeakPolarHBondContact CG-OD1 3.34Å; E177-N182 WeakPolarHBondContact O-CA 3.07Å; E177-N182 PolarHBondContact O-N 2.95Å; E177-I184 WeakPolarHBondContact CA-O 3.43Å; E177-K185 HydrophobicContact CG-CG 4.14Å; E177-K185 WeakPolarHBondContact OE1-CE 3.49Å; E177-K185 IonicContact OE1-NZ 2.76Å; E177-K185 PolarHBondContact OE1-NZ 2.79Å |
| 178 | Q | 93.8 | Very high | 93.5 | Very high | 142 Ų | 142 | 45.7 Ų | 45.7 | 66% | 0.664 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.9 | -46.3 | 176.9 | -172.2 | -177 | 11.3 | 0 | 0 | 112.6 | G174 W175 V176 T180 A181 | G174-Q178 WeakPolarHBondContact O-CB 3.26Å; G174-Q178 PolarHBondContact O-N 3.47Å; W175-Q178 PolarHBondContact O-N 3.42Å; V176-Q178 VanDerWaalsContact C-N 3.31Å; V176-Q178 PolarHBondContact O-N 2.63Å; Q178-T180 PolarHBondContact O-N 2.67Å; Q178-A181 PolarHBondContact O-N 3.49Å |
| 179 | Q | 90.3 | Very high | 93.4 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.8 | -27.2 | -178.8 | -67.4 | -46.7 | -55.2 | 0 | 0 | 112.9 | A129 W175 V176 | A129-Q179 HydrophobicContact CB-CB 3.64Å; A129-Q179 HydrophobicContact CB-CG 4.3Å; W175-Q179 HydrophobicContact CD2-CG 3.86Å; W175-Q179 HydrophobicContact CE3-CG 4.3Å; W175-Q179 HydrophobicContact CG-CG 4.41Å; W175-Q179 HydrophobicContact CH2-CG 4.04Å; W175-Q179 HydrophobicContact CZ2-CG 3.53Å; W175-Q179 HydrophobicContact CZ3-CG 4.38Å; W175-Q179 WeakPolarHBondContact O-CG 2.92Å; W175-Q179 PolarHBondContact O-N 2.85Å; V176-Q179 PolarHBondContact O-N 3.27Å |
| 180 | T | 86.9 | Confident | 93.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 20.9 | -176.1 | 62.5 | 0 | 0 | 0 | 0 | 113 | A129 V176 E177 Q178 N182 K183 I184 A204 | A129-T180 HydrophobicContact CB-CG2 3.97Å; V176-T180 HydrophobicContact CG1-CG2 4.27Å; V176-T180 WeakPolarHBondContact O-CB 3.3Å; V176-T180 VanDerWaalsContact O-CG2 3.29Å; V176-T180 WeakPolarHBondContact O-CG2 3.39Å; V176-T180 PolarHBondContact O-N 3.46Å; V176-T180 PolarHBondContact O-OG1 3.2Å; E177-T180 PolarHBondContact O-N 2.95Å; E177-T180 PolarHBondContact O-OG1 3.08Å; Q178-T180 PolarHBondContact O-N 2.67Å; T180-N182 PolarHBondContact O-N 3.44Å; T180-K183 VanDerWaalsContact O-CB 3.27Å; T180-K183 WeakPolarHBondContact O-CB 3.36Å; T180-K183 WeakPolarHBondContact O-CG 3.41Å; T180-K183 PolarHBondContact O-N 2.8Å; T180-I184 HydrophobicContact CG2-CB 4.02Å; T180-I184 HydrophobicContact CG2-CD1 3.97Å; T180-I184 HydrophobicContact CG2-CG1 4.1Å; T180-I184 WeakPolarHBondContact OG1-CB 3.45Å; T180-I184 PolarHBondContact OG1-N 3.32Å; T180-I184 PolarHBondContact OG1-O 3.1Å; T180-A204 HydrophobicContact CG2-CB 4.1Å |
| 181 | A | 88.2 | Confident | 92.8 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 38.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E177 Q178 K183 | E177-A181 PolarHBondContact O-N 2.92Å; Q178-A181 PolarHBondContact O-N 3.49Å; A181-K183 PolarHBondContact O-N 3.46Å |
| 182 | N | 90.6 | Very high | 92.6 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 15.8 | -177.1 | -44.3 | -66.7 | 0 | 0 | 0 | 115.3 | E177 T180 K185 | E177-N182 HydrophobicContact CG-CB 4.02Å; E177-N182 WeakPolarHBondContact CG-OD1 3.34Å; E177-N182 WeakPolarHBondContact O-CA 3.07Å; E177-N182 PolarHBondContact O-N 2.95Å; T180-N182 PolarHBondContact O-N 3.44Å; N182-K185 WeakPolarHBondContact O-CE 3.31Å |
| 183 | K | 88.4 | Confident | 92.5 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | trans | -81.8 | -31.4 | 178.8 | -65.4 | -71.3 | -173.3 | 166 | 0 | 112.6 | T180 A181 Y206 F364 E366 | T180-K183 VanDerWaalsContact O-CB 3.27Å; T180-K183 WeakPolarHBondContact O-CB 3.36Å; T180-K183 WeakPolarHBondContact O-CG 3.41Å; T180-K183 PolarHBondContact O-N 2.8Å; A181-K183 PolarHBondContact O-N 3.46Å; K183-Y206 HydrophobicContact CB-CD2 3.95Å; K183-Y206 HydrophobicContact CB-CE2 4.28Å; K183-Y206 HydrophobicContact CB-CG 4.18Å; K183-Y206 HydrophobicContact CD-CE2 4.18Å; K183-Y206 HydrophobicContact CG-CD1 4.34Å; K183-Y206 HydrophobicContact CG-CD2 3.9Å; K183-Y206 HydrophobicContact CG-CE1 4.18Å; K183-Y206 HydrophobicContact CG-CE2 3.76Å; K183-Y206 HydrophobicContact CG-CG 4.19Å; K183-F364 HydrophobicContact CB-CE2 4.4Å; K183-F364 HydrophobicContact CD-CE1 4.37Å; K183-F364 HydrophobicContact CD-CE2 4.48Å; K183-F364 HydrophobicContact CD-CZ 4.02Å; K183-E366 IonicContact NZ-OE2 3.86Å | ||
| 184 | I | 88.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -110.3 | 109.7 | 177.9 | -58.2 | -173.9 | 0 | 0 | 0 | 108.8 | V176 E177 T180 A204 I205 K362 F364 | V176-I184 HydrophobicContact CG1-CB 4.23Å; V176-I184 HydrophobicContact CG1-CG2 3.9Å; E177-I184 WeakPolarHBondContact CA-O 3.43Å; T180-I184 HydrophobicContact CG2-CB 4.02Å; T180-I184 HydrophobicContact CG2-CD1 3.97Å; T180-I184 HydrophobicContact CG2-CG1 4.1Å; T180-I184 WeakPolarHBondContact OG1-CB 3.45Å; T180-I184 PolarHBondContact OG1-N 3.32Å; T180-I184 PolarHBondContact OG1-O 3.1Å; I184-A204 HydrophobicContact CD1-CB 3.87Å; I184-A204 HydrophobicContact CG2-CB 4.21Å; I184-I205 WeakPolarHBondContact CD1-O 3.41Å; I184-K362 HydrophobicContact CG2-CB 4.11Å; I184-K362 HydrophobicContact CG2-CD 3.56Å; I184-K362 HydrophobicContact CG2-CG 3.82Å; I184-F364 HydrophobicContact CD1-CB 4.18Å; I184-F364 HydrophobicContact CG1-CB 4.11Å |
| 185 | K | 91.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | trans | -111.1 | 157 | 176.3 | -54.2 | -170.1 | -175.6 | -130.7 | 0 | 110.3 | E177 N182 L187 K362 | E177-K185 HydrophobicContact CG-CG 4.14Å; E177-K185 WeakPolarHBondContact OE1-CE 3.49Å; E177-K185 IonicContact OE1-NZ 2.76Å; E177-K185 PolarHBondContact OE1-NZ 2.79Å; N182-K185 WeakPolarHBondContact O-CE 3.31Å; K185-L187 VanDerWaalsContact C-N 3.25Å; K185-L187 PolarHBondContact O-N 2.84Å; K185-L187 VanDerWaalsContact O-N 3.15Å; K185-K362 PolarHBondContact O-NZ 3.47Å | ||
| 186 | D | 92.3 | Very high | 92.3 | Very high | 105 Ų | 105 | 59.6 Ų | 59.6 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | trans | 47.5 | 46.7 | 172.3 | -62 | -55.7 | 0 | 0 | 0 | 113.5 | L188 | D186-L188 VanDerWaalsContact C-N 3.28Å; D186-L188 PolarHBondContact O-N 3.04Å | ||
| 187 | L | 93 | Very high | 92.4 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -54.1 | -48.4 | 177.9 | 173.3 | 70.1 | 0 | 0 | 0 | 110.9 | N173 V176 K185 V202 A360 K362 | N173-L187 PolarHBondContact OD1-N 2.92Å; V176-L187 HydrophobicContact CG1-CB 4.24Å; V176-L187 HydrophobicContact CG1-CD2 4.33Å; V176-L187 HydrophobicContact CG2-CD2 3.78Å; K185-L187 VanDerWaalsContact C-N 3.25Å; K185-L187 PolarHBondContact O-N 2.84Å; K185-L187 VanDerWaalsContact O-N 3.15Å; L187-V202 HydrophobicContact CD2-CB 4.2Å; L187-V202 HydrophobicContact CD2-CG1 3.34Å; L187-V202 HydrophobicContact CD2-CG2 4.21Å; L187-A360 HydrophobicContact CD1-CB 4.41Å; L187-A360 HydrophobicContact CD2-CB 4.35Å; L187-A360 HydrophobicContact CG-CB 4.24Å; L187-K362 HydrophobicContact CD1-CB 3.24Å; L187-K362 HydrophobicContact CD1-CD 4.17Å; L187-K362 HydrophobicContact CD1-CG 4.33Å |
| 188 | L | 95.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -94.5 | 112.1 | 175.2 | -57.5 | -173.6 | 0 | 0 | 0 | 109.4 | R169 I172 N173 D186 T192 V193 A360 | R169-L188 WeakPolarHBondContact CD-O 3.44Å; R169-L188 HydrophobicContact CG-CB 3.66Å; R169-L188 HydrophobicContact CG-CD1 4.37Å; R169-L188 PolarHBondContact NH1-O 3.24Å; I172-L188 HydrophobicContact CB-CD1 3.97Å; I172-L188 HydrophobicContact CD1-CD1 3.72Å; I172-L188 HydrophobicContact CG1-CD1 4.44Å; I172-L188 HydrophobicContact CG2-CD1 3.55Å; I172-L188 HydrophobicContact CG2-CG 4.08Å; N173-L188 PolarHBondContact ND2-O 2.93Å; N173-L188 PolarHBondContact OD1-N 2.94Å; D186-L188 VanDerWaalsContact C-N 3.28Å; D186-L188 PolarHBondContact O-N 3.04Å; L188-T192 HydrophobicContact CD2-CG2 3.84Å; L188-V193 HydrophobicContact CD1-CG1 3.96Å; L188-A360 HydrophobicContact CD2-CB 3.42Å; L188-A360 VanDerWaalsContact CD2-CB 3.42Å |
| 189 | K | 94.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 54 Ų | 54 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | trans | -70.1 | 156.3 | 173.6 | -68.7 | 169.4 | 179.2 | 157.5 | 0 | 110.1 | R169 G191 T192 D322 | R169-K189 VanDerWaalsContact CD-O 3.29Å; R169-K189 WeakPolarHBondContact CD-O 3.47Å; K189-G191 PolarHBondContact O-N 3.28Å; K189-T192 PolarHBondContact N-OG1 3.37Å; K189-T192 VanDerWaalsContact O-CB 3.25Å; K189-T192 WeakPolarHBondContact O-CB 3.37Å; K189-T192 PolarHBondContact O-N 2.79Å; K189-T192 PolarHBondContact O-OG1 3.41Å; K189-D322 WeakPolarHBondContact CE-OD2 3.41Å; K189-D322 IonicContact NZ-OD1 3.82Å; K189-D322 PolarHBondContact NZ-OD1 2.73Å; K189-D322 IonicContact NZ-OD2 2.59Å; K189-D322 PolarHBondContact NZ-OD2 3.29Å | ||
| 190 | P | 94.2 | Very high | 92.9 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 68% | 0.675 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.9 | 174.4 | -27 | 35.7 | 0 | 0 | 0 | 111.6 | T192 | P190-T192 VanDerWaalsContact C-N 3.28Å; P190-T192 PolarHBondContact O-N 2.93Å |
| 191 | G | 90.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -0.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E166 K189 V193 | E166-G191 PolarHBondContact OE1-N 3Å; K189-G191 PolarHBondContact O-N 3.28Å; G191-V193 VanDerWaalsContact C-N 3.29Å; G191-V193 PolarHBondContact O-N 3.49Å |
| 192 | T | 91.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -64.8 | -34.3 | 173.3 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | L188 K189 P190 K358 | L188-T192 HydrophobicContact CD2-CG2 3.84Å; K189-T192 PolarHBondContact N-OG1 3.37Å; K189-T192 VanDerWaalsContact O-CB 3.25Å; K189-T192 WeakPolarHBondContact O-CB 3.37Å; K189-T192 PolarHBondContact O-N 2.79Å; K189-T192 PolarHBondContact O-OG1 3.41Å; P190-T192 VanDerWaalsContact C-N 3.28Å; P190-T192 PolarHBondContact O-N 2.93Å; T192-K358 HydrophobicContact CG2-CD 4.41Å; T192-K358 WeakPolarHBondContact O-CD 3.38Å; T192-K358 WeakPolarHBondContact O-CE 3.45Å; T192-K358 WeakPolarHBondContact O-CG 3.14Å |
| 193 | V | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -114.6 | 153.8 | 172.9 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | F161 A165 R169 L188 G191 T197 | F161-V193 HydrophobicContact CD1-CB 4.03Å; F161-V193 HydrophobicContact CD1-CG1 4.46Å; F161-V193 HydrophobicContact CD1-CG2 4.31Å; F161-V193 HydrophobicContact CE1-CB 3.9Å; F161-V193 HydrophobicContact CE1-CG1 3.86Å; F161-V193 HydrophobicContact CE1-CG2 4.16Å; F161-V193 HydrophobicContact CZ-CG1 4.49Å; A165-V193 WeakPolarHBondContact O-CG2 3.33Å; R169-V193 HydrophobicContact CB-CG2 3.7Å; R169-V193 HydrophobicContact CG-CG2 4.09Å; L188-V193 HydrophobicContact CD1-CG1 3.96Å; G191-V193 VanDerWaalsContact C-N 3.29Å; G191-V193 PolarHBondContact O-N 3.49Å; V193-T197 HydrophobicContact CG1-CG2 4.44Å |
| 194 | S | 96 | Very high | 94 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | trans | -150.9 | 176.7 | -177 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | M196 T197 | S194-M196 PolarHBondContact O-N 2.59Å; S194-M196 PolarHBondContact OG-N 2.97Å; S194-T197 PolarHBondContact N-OG1 2.91Å; S194-T197 VanDerWaalsContact O-CB 3.23Å; S194-T197 WeakPolarHBondContact O-CB 3.31Å; S194-T197 PolarHBondContact O-N 2.97Å; S194-T197 PolarHBondContact O-OG1 3.26Å | ||
| 195 | A | 96.2 | Very high | 94.1 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F161 L162 R198 | F161-A195 VanDerWaalsContact O-CA 3.29Å; F161-A195 WeakPolarHBondContact O-CA 3.36Å; L162-A195 HydrophobicContact CD1-CB 4.47Å; A195-R198 PolarHBondContact O-NH1 3.27Å |
| 196 | M | 94 | Very high | 93.9 | Very high | 148 Ų | 148 | 35.9 Ų | 35.9 | 73% | 0.729 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -10.7 | 174.2 | -61.8 | -169.1 | 70.9 | 0 | 0 | 113.4 | S194 R198 | S194-M196 PolarHBondContact O-N 2.59Å; S194-M196 PolarHBondContact OG-N 2.97Å; M196-R198 PolarHBondContact O-N 3.25Å |
| 197 | T | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | trans | -63.7 | 133.4 | 176.3 | -60 | 0 | 0 | 0 | 0 | 109.4 | F161 V193 S194 A200 | F161-T197 HydrophobicContact CD1-CG2 4.05Å; F161-T197 HydrophobicContact CD2-CG2 3.52Å; F161-T197 HydrophobicContact CE1-CG2 4.06Å; F161-T197 HydrophobicContact CE2-CG2 3.52Å; F161-T197 HydrophobicContact CG-CG2 3.79Å; F161-T197 HydrophobicContact CZ-CG2 3.79Å; V193-T197 HydrophobicContact CG1-CG2 4.44Å; S194-T197 PolarHBondContact N-OG1 2.91Å; S194-T197 VanDerWaalsContact O-CB 3.23Å; S194-T197 WeakPolarHBondContact O-CB 3.31Å; S194-T197 PolarHBondContact O-N 2.97Å; S194-T197 PolarHBondContact O-OG1 3.26Å; T197-A200 HydrophobicContact CG2-CB 4.24Å | ||
| 198 | R | 95.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 34 Ų | 34 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -116.7 | -41.9 | 175.5 | -65.6 | -64.6 | 177.3 | -94.3 | 2 | 111.7 | E135 A195 M196 L354 F355 S357 | E135-R198 PolarHBondContact N-O 3.44Å; A195-R198 PolarHBondContact O-NH1 3.27Å; M196-R198 PolarHBondContact O-N 3.25Å; R198-L354 HydrophobicContact CB-CD1 4.14Å; R198-F355 HydrophobicContact CB-CD1 4.48Å; R198-F355 HydrophobicContact CB-CE1 4.19Å; R198-F355 HydrophobicContact CG-CD1 4.3Å; R198-F355 HydrophobicContact CG-CE1 3.64Å; R198-F355 HydrophobicContact CG-CZ 4.08Å; R198-S357 PolarHBondContact N-OG 3.06Å |
| 199 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 129.2 | 176.4 | -172 | 68.3 | 0 | 0 | 0 | 109.5 | L132 Y133 L345 M348 L354 F355 L356 S357 K358 | L132-L199 HydrophobicContact CB-CD1 4.47Å; L132-L199 HydrophobicContact CD2-CD1 4.14Å; L132-L199 HydrophobicContact CD2-CD2 4.33Å; L132-L199 HydrophobicContact CD2-CG 4.23Å; Y133-L199 CarbonylContact O-C 3.43Å; Y133-L199 WeakPolarHBondContact O-CA 3.36Å; L199-L345 HydrophobicContact CD2-CD1 3.93Å; L199-M348 HydrophobicContact CD2-CE 4.32Å; L199-M348 HydrophobicContact CD2-SD 3.89Å; L199-L354 HydrophobicContact CB-CD1 4.14Å; L199-L354 HydrophobicContact CB-CG 4.47Å; L199-L354 HydrophobicContact CD2-CD2 4.25Å; L199-L354 HydrophobicContact CD2-CG 4.48Å; L199-F355 WeakPolarHBondContact CB-O 3.29Å; L199-L356 HydrophobicContact CB-CD1 4.48Å; L199-L356 HydrophobicContact CD2-CD1 4.01Å; L199-L356 HydrophobicContact CG-CD1 4.04Å; L199-S357 PolarHBondContact N-OG 3.09Å; L199-S357 WeakPolarHBondContact O-CA 3.47Å; L199-S357 WeakPolarHBondContact O-CB 3.18Å; L199-S357 PolarHBondContact O-N 3.2Å; L199-K358 PolarHBondContact O-N 3.36Å |
| 200 | A | 96.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y133 F161 T197 K358 | Y133-A200 PolarHBondContact N-O 3.09Å; Y133-A200 PolarHBondContact O-N 3Å; F161-A200 HydrophobicContact CZ-CB 4.08Å; T197-A200 HydrophobicContact CG2-CB 4.24Å; A200-K358 WeakPolarHBondContact CA-O 3.38Å; A200-K358 HydrophobicContact CB-CB 4.27Å |
| 201 | L | 96.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.7 | 170.1 | 179.6 | 63.2 | 0 | 0 | 0 | 109.1 | A78 L79 M81 V82 L132 L356 K358 V359 A360 | A78-L201 HydrophobicContact CB-CD1 3.95Å; A78-L201 HydrophobicContact CB-CD2 3.88Å; A78-L201 HydrophobicContact CB-CG 4.15Å; A78-L201 WeakPolarHBondContact O-CD2 3.46Å; L79-L201 HydrophobicContact CD2-CD2 3.81Å; L79-L201 HydrophobicContact CG-CD2 4.16Å; M81-L201 HydrophobicContact CE-CD1 4.02Å; V82-L201 HydrophobicContact CG2-CD2 4.09Å; L132-L201 HydrophobicContact CD2-CB 4Å; L132-L201 HydrophobicContact CD2-CD1 3.6Å; L132-L201 HydrophobicContact CD2-CG 4.38Å; L132-L201 HydrophobicContact CG-CD1 3.99Å; L201-L356 HydrophobicContact CB-CD1 3.89Å; L201-K358 PolarHBondContact N-O 3.47Å; L201-V359 HydrophobicContact CB-CG2 4.35Å; L201-V359 HydrophobicContact CD2-CG1 4.12Å; L201-V359 WeakPolarHBondContact O-CA 3.4Å; L201-A360 PolarHBondContact O-N 3Å |
| 202 | V | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.8 | 179.8 | 160 | 0 | 0 | 0 | 0 | 108.5 | N130 R131 Y133 I172 W175 V176 L187 | N130-V202 WeakPolarHBondContact CA-O 3.31Å; R131-V202 PolarHBondContact N-O 3.05Å; R131-V202 PolarHBondContact O-N 2.99Å; Y133-V202 HydrophobicContact CD2-CB 4.14Å; Y133-V202 HydrophobicContact CD2-CG2 3.87Å; Y133-V202 HydrophobicContact CE2-CB 3.94Å; Y133-V202 HydrophobicContact CE2-CG1 4.31Å; Y133-V202 HydrophobicContact CE2-CG2 3.95Å; I172-V202 HydrophobicContact CG2-CG1 4.34Å; I172-V202 HydrophobicContact CG2-CG2 3.66Å; W175-V202 HydrophobicContact CZ3-CG1 4.39Å; V176-V202 HydrophobicContact CG2-CG1 3.49Å; V176-V202 VanDerWaalsContact CG2-CG1 3.49Å; L187-V202 HydrophobicContact CD2-CB 4.2Å; L187-V202 HydrophobicContact CD2-CG1 3.34Å; L187-V202 HydrophobicContact CD2-CG2 4.21Å |
| 203 | N | 93.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 110.9 | -178.7 | -174.8 | -100.2 | 0 | 0 | 0 | 109.9 | S74 A78 N130 A360 H361 K362 | S74-N203 VanDerWaalsContact C-ND2 3.32Å; S74-N203 PolarHBondContact O-ND2 3Å; S74-N203 PolarHBondContact OG-ND2 3.34Å; S74-N203 PolarHBondContact OG-OD1 2.94Å; A78-N203 HydrophobicContact CB-CB 4.21Å; A78-N203 WeakPolarHBondContact CB-ND2 3.21Å; N130-N203 VanDerWaalsContact CG-ND2 3.3Å; N130-N203 PolarHBondContact OD1-ND2 3.14Å; N203-A360 PolarHBondContact N-O 2.79Å; N203-H361 CarbonylContact O-C 3.59Å; N203-H361 VanDerWaalsContact O-CA 3.25Å; N203-H361 WeakPolarHBondContact O-CA 3.31Å; N203-H361 PolarHBondContact OD1-CE1 2.86Å; N203-H361 PolarHBondContact OD1-ND1 3.34Å; N203-K362 PolarHBondContact O-N 2.86Å |
| 204 | A | 91.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | A129 V176 T180 I184 K362 | A129-A204 HydrophobicContact CB-CB 3.94Å; A129-A204 PolarHBondContact N-O 3.13Å; A129-A204 PolarHBondContact O-N 3.14Å; V176-A204 HydrophobicContact CG1-CB 3.52Å; T180-A204 HydrophobicContact CG2-CB 4.1Å; I184-A204 HydrophobicContact CD1-CB 3.87Å; I184-A204 HydrophobicContact CG2-CB 4.21Å; A204-K362 WeakPolarHBondContact CA-O 3.31Å |
| 205 | I | 90.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 131 | -177.5 | -174.3 | 178.4 | 0 | 0 | 0 | 111.9 | S71 L126 K127 L128 I184 K362 A363 F364 F412 | S71-I205 VanDerWaalsContact CB-CG2 3.47Å; S71-I205 VanDerWaalsContact OG-CD1 3.3Å; S71-I205 WeakPolarHBondContact OG-CD1 3.49Å; L126-I205 HydrophobicContact CD1-CD1 3.92Å; L126-I205 HydrophobicContact CD1-CG1 4.16Å; L126-I205 HydrophobicContact CG-CD1 4.39Å; K127-I205 WeakPolarHBondContact O-CA 3.23Å; L128-I205 HydrophobicContact CD2-CB 4.09Å; L128-I205 HydrophobicContact CD2-CD1 3.39Å; L128-I205 HydrophobicContact CD2-CG1 3.65Å; L128-I205 HydrophobicContact CG-CD1 4.46Å; L128-I205 HydrophobicContact CG-CG1 4.5Å; I184-I205 WeakPolarHBondContact CD1-O 3.41Å; I205-K362 PolarHBondContact N-O 3.17Å; I205-K362 VanDerWaalsContact N-O 3.11Å; I205-A363 HydrophobicContact CG2-CB 3.97Å; I205-F364 PolarHBondContact O-N 3.37Å; I205-F364 VanDerWaalsContact O-N 3.09Å; I205-F412 HydrophobicContact CD1-CE1 3.86Å; I205-F412 HydrophobicContact CD1-CE2 4.22Å; I205-F412 HydrophobicContact CD1-CZ 3.47Å; I205-F412 VanDerWaalsContact CD1-CZ 3.47Å; I205-F412 HydrophobicContact CG1-CE1 4.06Å; I205-F412 HydrophobicContact CG1-CZ 3.73Å; I205-F412 HydrophobicContact CG2-CE1 3.89Å; I205-F412 HydrophobicContact CG2-CZ 4.44Å |
| 206 | Y | 87.9 | Confident | 92.6 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.8 | 176.7 | 166 | -115.7 | 0 | 0 | 0 | 109.9 | I125 K127 K183 K208 F364 | I125-Y206 HydrophobicContact CG2-CE1 4.27Å; K127-Y206 HydrophobicContact CB-CD1 4.29Å; K127-Y206 HydrophobicContact CG-CD1 4.13Å; K127-Y206 PolarHBondContact N-O 2.93Å; K127-Y206 PolarHBondContact O-N 2.59Å; K183-Y206 HydrophobicContact CB-CD2 3.95Å; K183-Y206 HydrophobicContact CB-CE2 4.28Å; K183-Y206 HydrophobicContact CB-CG 4.18Å; K183-Y206 HydrophobicContact CD-CE2 4.18Å; K183-Y206 HydrophobicContact CG-CD1 4.34Å; K183-Y206 HydrophobicContact CG-CD2 3.9Å; K183-Y206 HydrophobicContact CG-CE1 4.18Å; K183-Y206 HydrophobicContact CG-CE2 3.76Å; K183-Y206 HydrophobicContact CG-CG 4.19Å; Y206-K208 HydrophobicContact CE1-CB 4.3Å; Y206-K208 HydrophobicContact CE2-CB 4.47Å; Y206-K208 WeakPolarHBondContact OH-CB 3.18Å; Y206-F364 AromaticContact CD2-CD1 3.53Å; Y206-F364 HydrophobicContact CD2-CD1 3.53Å; Y206-F364 HydrophobicContact CD2-CE1 4.01Å; Y206-F364 HydrophobicContact CD2-CG 4.25Å; Y206-F364 AromaticContact CE2-CD1 3.78Å; Y206-F364 HydrophobicContact CE2-CD1 3.78Å; Y206-F364 AromaticContact CE2-CE1 3.78Å; Y206-F364 HydrophobicContact CE2-CE1 3.78Å |
| 207 | F | 86.9 | Confident | 92.5 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.2 | 173.9 | 169.6 | -104.3 | 0 | 0 | 0 | 111.5 | Y124 I125 L126 G209 Y261 L266 V365 I402 F412 | Y124-F207 HydrophobicContact CD2-CD2 4.48Å; Y124-F207 HydrophobicContact CD2-CE2 4.17Å; Y124-F207 HydrophobicContact CG-CE2 4.27Å; I125-F207 CarbonylContact O-C 3.53Å; I125-F207 WeakPolarHBondContact O-CA 3.3Å; L126-F207 HydrophobicContact CD1-CB 3.93Å; L126-F207 HydrophobicContact CD1-CD2 3.99Å; L126-F207 HydrophobicContact CD1-CG 4.42Å; F207-G209 VanDerWaalsContact CZ-CA 3.46Å; F207-G209 VanDerWaalsContact CZ-N 3.34Å; F207-Y261 AromaticContact CE1-CE1 3.91Å; F207-Y261 HydrophobicContact CE1-CE1 3.91Å; F207-Y261 HydrophobicContact CE1-CE2 4.27Å; F207-Y261 AromaticContact CE1-CZ 3.65Å; F207-Y261 HydrophobicContact CZ-CD1 4.17Å; F207-Y261 HydrophobicContact CZ-CD2 4.4Å; F207-Y261 AromaticContact CZ-CE1 3.78Å; F207-Y261 HydrophobicContact CZ-CE1 3.78Å; F207-Y261 HydrophobicContact CZ-CE2 4.02Å; F207-Y261 HydrophobicContact CZ-CG 4.47Å; F207-Y261 AromaticContact CZ-CZ 3.71Å; F207-L266 HydrophobicContact CD2-CD1 4.29Å; F207-L266 HydrophobicContact CE2-CD1 3.35Å; F207-L266 HydrophobicContact CZ-CD1 3.88Å; F207-V365 HydrophobicContact CD1-CG2 4.24Å; F207-I402 HydrophobicContact CD1-CD1 3.76Å; F207-I402 HydrophobicContact CE1-CD1 3.63Å; F207-I402 HydrophobicContact CZ-CD1 4.43Å; F207-F412 HydrophobicContact CB-CD2 4.39Å; F207-F412 HydrophobicContact CB-CE1 4.39Å; F207-F412 HydrophobicContact CB-CE2 3.39Å; F207-F412 HydrophobicContact CB-CZ 3.37Å; F207-F412 HydrophobicContact CD1-CE2 4.48Å; F207-F412 HydrophobicContact CD2-CE2 4.32Å; F207-F412 AromaticContact CG-CE2 3.83Å; F207-F412 HydrophobicContact CG-CE2 3.83Å; F207-F412 HydrophobicContact CG-CZ 4.31Å |
| 208 | K | 85.1 | Confident | 92.4 | Very high | 73 Ų | 73 | 40.2 Ų | 40.2 | 32% | 0.317 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 114.6 | 163.3 | -178.8 | 176.1 | -176.4 | 173.5 | 0 | 109 | I125 Y206 E370 | I125-K208 HydrophobicContact CB-CB 4.26Å; I125-K208 PolarHBondContact N-O 3.07Å; I125-K208 PolarHBondContact O-N 2.8Å; Y206-K208 HydrophobicContact CE1-CB 4.3Å; Y206-K208 HydrophobicContact CE2-CB 4.47Å; Y206-K208 WeakPolarHBondContact OH-CB 3.18Å; K208-E370 WeakPolarHBondContact CE-OE2 3.39Å; K208-E370 IonicContact NZ-OE2 3.24Å; K208-E370 PolarHBondContact NZ-OE2 3.34Å |
| 209 | G | 86.7 | Confident | 92.5 | Very high | 14 Ų | 14 | 40 Ų | 40 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | trans | -115.8 | 157.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | F207 | F207-G209 VanDerWaalsContact CZ-CA 3.46Å; F207-G209 VanDerWaalsContact CZ-N 3.34Å | ||
| 210 | N | 90.9 | Very high | 92.5 | Very high | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | trans | -105.9 | 128.6 | 175.4 | -88.1 | -15.3 | 0 | 0 | 0 | 108.6 | Y261 V262 G371 | N210-Y261 CarbonylContact O-C 3.54Å; N210-Y261 VanDerWaalsContact O-CA 3.28Å; N210-Y261 WeakPolarHBondContact O-CA 3.47Å; N210-Y261 WeakPolarHBondContact O-CB 3.08Å; N210-Y261 WeakPolarHBondContact O-CD1 3.37Å; N210-V262 HydrophobicContact CB-CG2 3.85Å; N210-V262 WeakPolarHBondContact O-CG2 3.45Å; N210-V262 PolarHBondContact O-N 3.05Å; N210-G371 VanDerWaalsContact CB-CA 3.48Å | ||
| 211 | W | 94.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 143.6 | 176.5 | -60.5 | 117.8 | 0 | 0 | 0 | 111.4 | N213 F215 L259 Y261 M268 L314 V367 N368 E370 G371 | W211-N213 VanDerWaalsContact C-N 3.31Å; W211-N213 WeakPolarHBondContact CB-O 3.26Å; W211-F215 AromaticContact CD1-CD2 3.92Å; W211-F215 AromaticContact NE1-CD2 3.91Å; W211-F215 AromaticContact NE1-CE2 3.88Å; W211-L259 HydrophobicContact CE3-CB 4.13Å; W211-L259 HydrophobicContact CH2-CB 4.3Å; W211-L259 HydrophobicContact CH2-CD1 4.43Å; W211-L259 HydrophobicContact CZ3-CB 3.64Å; W211-Y261 HydrophobicContact CD2-CE1 4.25Å; W211-Y261 HydrophobicContact CE3-CD1 4.06Å; W211-Y261 AromaticContact CE3-CE1 3.83Å; W211-Y261 HydrophobicContact CE3-CE1 3.83Å; W211-Y261 HydrophobicContact CE3-CE2 4.43Å; W211-Y261 HydrophobicContact CE3-CG 4.47Å; W211-Y261 HydrophobicContact CH2-CE1 4.12Å; W211-Y261 HydrophobicContact CH2-CE2 4.36Å; W211-Y261 AromaticContact CH2-CZ 3.71Å; W211-Y261 WeakPolarHBondContact CH2-OH 3.2Å; W211-Y261 HydrophobicContact CZ3-CD1 4.31Å; W211-Y261 HydrophobicContact CZ3-CD2 4.35Å; W211-Y261 AromaticContact CZ3-CE1 3.75Å; W211-Y261 HydrophobicContact CZ3-CE1 3.75Å; W211-Y261 AromaticContact CZ3-CE2 3.8Å; W211-Y261 HydrophobicContact CZ3-CE2 3.8Å; W211-Y261 AromaticContact CZ3-CZ 3.45Å; W211-Y261 VanDerWaalsContact CZ3-CZ 3.45Å; W211-M268 HydrophobicContact CH2-CB 3.93Å; W211-M268 HydrophobicContact CH2-CE 3.98Å; W211-M268 HydrophobicContact CH2-CG 4.48Å; W211-M268 HydrophobicContact CH2-SD 3.77Å; W211-M268 HydrophobicContact CZ3-CB 3.92Å; W211-L314 HydrophobicContact CZ2-CD2 4.48Å; W211-V367 HydrophobicContact CZ2-CG1 4.04Å; W211-N368 PolarHBondContact NE1-O 2.94Å; W211-E370 PolarHBondContact N-O 2.92Å; W211-G371 WeakPolarHBondContact O-CA 3.23Å |
| 212 | L | 94.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.335 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -62 | -44.8 | 167.2 | -178.3 | 64.9 | 0 | 0 | 0 | 110 | P260 E264 | L212-P260 HydrophobicContact CB-CB 4.24Å; L212-P260 HydrophobicContact CB-CG 4.1Å; L212-P260 WeakPolarHBondContact CB-O 3.32Å; L212-P260 HydrophobicContact CD2-CB 4.16Å; L212-P260 HydrophobicContact CD2-CG 3.81Å; L212-P260 PolarHBondContact N-O 2.85Å; L212-E264 HydrophobicContact CD2-CG 3.91Å |
| 213 | N | 92.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -114.2 | 103.3 | 173.8 | -63.9 | -70.1 | 0 | 0 | 0 | 109.5 | W211 Q240 K242 F244 | W211-N213 VanDerWaalsContact C-N 3.31Å; W211-N213 WeakPolarHBondContact CB-O 3.26Å; N213-Q240 PolarHBondContact O-NE2 2.9Å; N213-K242 HydrophobicContact CB-CG 4.47Å; N213-F244 HydrophobicContact CB-CE1 4.24Å; N213-F244 HydrophobicContact CB-CZ 4.16Å |
| 214 | R | 91.9 | Very high | 92.9 | Very high | 103 Ų | 103 | 60 Ų | 60 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 152.2 | 178.9 | -70.1 | -175.9 | -178.3 | -171.1 | -6.4 | 112.6 | G371 T372 E373 | R214-G371 VanDerWaalsContact CZ-C 3.44Å; R214-G371 VanDerWaalsContact NE-N 3.15Å; R214-G371 PolarHBondContact NE-O 2.9Å; R214-G371 VanDerWaalsContact NH2-C 3.3Å; R214-G371 PolarHBondContact NH2-O 2.69Å; R214-T372 VanDerWaalsContact CZ-C 3.4Å; R214-T372 VanDerWaalsContact CZ-CA 3.5Å; R214-T372 VanDerWaalsContact NE-CA 3.33Å; R214-T372 VanDerWaalsContact NE-N 3.12Å; R214-T372 PolarHBondContact NE-O 3.46Å; R214-E373 VanDerWaalsContact CZ-N 3.27Å |
| 215 | F | 93.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 140.2 | 162.3 | -62.2 | -94.9 | 0 | 0 | 0 | 109.4 | W211 M238 Q240 V312 L314 E369 | W211-F215 AromaticContact CD1-CD2 3.92Å; W211-F215 AromaticContact NE1-CD2 3.91Å; W211-F215 AromaticContact NE1-CE2 3.88Å; F215-M238 HydrophobicContact CB-CB 4.05Å; F215-M238 HydrophobicContact CB-SD 4.47Å; F215-M238 HydrophobicContact CD1-CB 3.5Å; F215-M238 HydrophobicContact CD2-CB 4.38Å; F215-M238 HydrophobicContact CD2-CE 4.05Å; F215-M238 HydrophobicContact CD2-SD 4.14Å; F215-M238 HydrophobicContact CE1-CB 3.97Å; F215-M238 HydrophobicContact CE2-CE 3.97Å; F215-M238 HydrophobicContact CG-CB 3.73Å; F215-M238 HydrophobicContact CG-CE 4.49Å; F215-M238 HydrophobicContact CG-SD 4.26Å; F215-M238 HydrophobicContact CZ-CE 4.31Å; F215-Q240 HydrophobicContact CD1-CB 4Å; F215-Q240 HydrophobicContact CD1-CG 3.75Å; F215-Q240 HydrophobicContact CE1-CB 4.31Å; F215-Q240 HydrophobicContact CE1-CG 3.6Å; F215-Q240 VanDerWaalsContact CE2-NE2 3.29Å; F215-Q240 HydrophobicContact CZ-CG 4.25Å; F215-Q240 VanDerWaalsContact CZ-NE2 3.27Å; F215-V312 HydrophobicContact CE1-CG1 4.3Å; F215-V312 HydrophobicContact CZ-CG1 4.29Å; F215-L314 HydrophobicContact CZ-CB 4.26Å; F215-L314 HydrophobicContact CZ-CD2 4.42Å; F215-E369 HydrophobicContact CB-CB 4.16Å; F215-E369 HydrophobicContact CB-CG 4.1Å |
| 216 | D | 93.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 124.2 | 170.4 | -169.2 | -27.8 | 0 | 0 | 0 | 108.5 | K218 D219 T220 | D216-K218 PolarHBondContact O-N 2.92Å; D216-K218 VanDerWaalsContact O-N 3.08Å; D216-K218 WeakPolarHBondContact OD1-CB 3.2Å; D216-K218 WeakPolarHBondContact OD1-CG 3.44Å; D216-K218 PolarHBondContact OD1-N 3.32Å; D216-D219 HydrophobicContact CB-CB 4.48Å; D216-D219 WeakPolarHBondContact O-CB 3.11Å; D216-D219 PolarHBondContact O-N 3Å; D216-T220 PolarHBondContact O-N 2.86Å |
| 217 | Q | 93.4 | Very high | 93.3 | Very high | 128 Ų | 128 | 64 Ų | 64 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25 | 178.2 | -69.5 | -179.8 | -1.1 | 0 | 0 | 113 | D219 T220 E369 | Q217-D219 VanDerWaalsContact C-N 3.26Å; Q217-D219 PolarHBondContact O-N 3.23Å; Q217-T220 PolarHBondContact O-N 3.38Å; Q217-E369 HydrophobicContact CG-CB 3.82Å; Q217-E369 HydrophobicContact CG-CG 3.82Å |
| 218 | K | 94.5 | Very high | 93.2 | Very high | 173 Ų | 173 | 67.4 Ų | 67.4 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -23.6 | 176.2 | -62.4 | 169.4 | -171.2 | 159.4 | 0 | 112.8 | D216 | D216-K218 PolarHBondContact O-N 2.92Å; D216-K218 VanDerWaalsContact O-N 3.08Å; D216-K218 WeakPolarHBondContact OD1-CB 3.2Å; D216-K218 WeakPolarHBondContact OD1-CG 3.44Å; D216-K218 PolarHBondContact OD1-N 3.32Å |
| 219 | D | 95.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 69.2 Ų | 69.2 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.8 | 178.5 | -67.2 | -28.7 | 0 | 0 | 0 | 112 | D216 Q217 K221 H239 | D216-D219 HydrophobicContact CB-CB 4.48Å; D216-D219 WeakPolarHBondContact O-CB 3.11Å; D216-D219 PolarHBondContact O-N 3Å; Q217-D219 VanDerWaalsContact C-N 3.26Å; Q217-D219 PolarHBondContact O-N 3.23Å; D219-K221 PolarHBondContact O-N 3.42Å; D219-H239 HydrophobicContact CB-CB 4.36Å |
| 220 | T | 97.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 76 Ų | 76 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | trans | -65 | 124.4 | 169.6 | -59 | 0 | 0 | 0 | 0 | 110.4 | D216 Q217 Q236 M237 M238 E369 | D216-T220 PolarHBondContact O-N 2.86Å; Q217-T220 PolarHBondContact O-N 3.38Å; T220-Q236 HydrophobicContact CG2-CB 3.9Å; T220-M237 VanDerWaalsContact CA-O 3.31Å; T220-M237 WeakPolarHBondContact CA-O 3.21Å; T220-M238 HydrophobicContact CG2-CG 4.46Å; T220-E369 PolarHBondContact OG1-OE1 3.26Å | ||
| 221 | K | 97.3 | Very high | 92.9 | Very high | 137 Ų | 137 | 78.5 Ų | 78.5 | 60% | 0.596 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153 | -179.1 | -67.5 | 176.7 | -173.2 | 168 | 0 | 111.4 | D219 M223 M237 | D219-K221 PolarHBondContact O-N 3.42Å; K221-M223 PolarHBondContact O-N 3.08Å; K221-M237 PolarHBondContact N-O 2.9Å; K221-M237 WeakPolarHBondContact O-CB 3.47Å; K221-M237 PolarHBondContact O-N 3.36Å |
| 222 | E | 98.3 | Very high | 92.9 | Very high | 141 Ų | 141 | 81.5 Ų | 81.5 | 66% | 0.659 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 126.2 | 169.9 | -169.2 | 173 | 97.2 | 0 | 0 | 110.1 | P234 V235 | E222-P234 HydrophobicContact CG-CB 3.76Å; E222-V235 CarbonylContact C-O 3.6Å; E222-V235 VanDerWaalsContact CA-O 3.31Å; E222-V235 WeakPolarHBondContact CA-O 3.39Å |
| 223 | M | 97.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 82.1 Ų | 82.1 | 28% | 0.281 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.3 | 176 | -68.4 | -177 | 59.9 | 0 | 0 | 110.1 | K221 V235 M237 | K221-M223 PolarHBondContact O-N 3.08Å; M223-V235 PolarHBondContact N-O 3.47Å; M223-V235 WeakPolarHBondContact O-CG2 3.4Å; M223-V235 PolarHBondContact O-N 2.9Å; M223-M237 HydrophobicContact CB-CB 3.83Å; M223-M237 HydrophobicContact CB-CG 4.45Å; M223-M237 HydrophobicContact CG-CB 3.83Å; M223-M237 HydrophobicContact CG-CG 4.38Å; M223-M237 HydrophobicContact SD-CB 3.64Å; M223-M237 HydrophobicContact SD-CG 3.57Å; M223-M237 VanDerWaalsContact SD-CG 3.57Å |
| 224 | P | 97.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 83.5 Ų | 83.5 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.4 | 173.6 | 29.1 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 225 | F | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 116.7 | 164.8 | -173.5 | -85.9 | 0 | 0 | 0 | 108.8 | L227 S232 K233 V235 P315 D395 H396 F398 F416 | F225-L227 HydrophobicContact CD1-CD2 3.88Å; F225-L227 HydrophobicContact CE1-CD2 4.1Å; F225-L227 PolarHBondContact O-N 3.3Å; F225-S232 CarbonylContact O-C 3.6Å; F225-S232 WeakPolarHBondContact O-CA 3.41Å; F225-S232 WeakPolarHBondContact O-CB 3.31Å; F225-K233 WeakPolarHBondContact CB-O 3.15Å; F225-K233 PolarHBondContact N-O 3.48Å; F225-K233 PolarHBondContact O-N 2.81Å; F225-V235 HydrophobicContact CB-CB 4.32Å; F225-V235 HydrophobicContact CB-CG1 3.52Å; F225-V235 HydrophobicContact CB-CG2 3.83Å; F225-V235 HydrophobicContact CG-CG1 4.18Å; F225-P315 HydrophobicContact CE2-CG 4.46Å; F225-D395 CarbonylContact C-O 3.59Å; F225-D395 VanDerWaalsContact CA-O 3.26Å; F225-D395 WeakPolarHBondContact CA-O 3.34Å; F225-D395 VanDerWaalsContact CD2-C 3.47Å; F225-H396 WeakPolarHBondContact CE2-O 3.49Å; F225-H396 VanDerWaalsContact CZ-O 3.3Å; F225-H396 WeakPolarHBondContact CZ-O 3Å; F225-F398 HydrophobicContact CE2-CD1 4.4Å; F225-F398 HydrophobicContact CE2-CE1 4.12Å; F225-F416 AromaticContact CD2-CE1 3.96Å; F225-F416 HydrophobicContact CD2-CE1 3.96Å; F225-F416 HydrophobicContact CE1-CD1 4.34Å; F225-F416 HydrophobicContact CE1-CE1 4.16Å; F225-F416 AromaticContact CE2-CD1 3.62Å; F225-F416 HydrophobicContact CE2-CD1 3.62Å; F225-F416 AromaticContact CE2-CE1 3.51Å; F225-F416 HydrophobicContact CE2-CE1 3.51Å; F225-F416 HydrophobicContact CG-CE1 4.46Å; F225-F416 AromaticContact CZ-CD1 3.5Å; F225-F416 HydrophobicContact CZ-CD1 3.5Å; F225-F416 AromaticContact CZ-CE1 3.61Å; F225-F416 HydrophobicContact CZ-CE1 3.61Å |
| 226 | K | 93.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 82.8 Ų | 82.8 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.9 | -177.6 | -54.8 | 172.6 | -171.3 | 173.8 | 0 | 108.9 | E275 D395 H396 P397 | K226-E275 WeakPolarHBondContact CD-OE2 3.34Å; K226-E275 VanDerWaalsContact NZ-CD 3.25Å; K226-E275 IonicContact NZ-OE1 2.85Å; K226-E275 PolarHBondContact NZ-OE1 3.44Å; K226-E275 IonicContact NZ-OE2 2.98Å; K226-E275 PolarHBondContact NZ-OE2 3.27Å; K226-E275 VanDerWaalsContact NZ-OE2 3.14Å; K226-D395 PolarHBondContact N-O 3.4Å; K226-D395 IonicContact NZ-OD2 3.3Å; K226-H396 HydrophobicContact CB-CB 4.14Å; K226-H396 WeakPolarHBondContact O-CA 3.21Å; K226-P397 WeakPolarHBondContact O-CD 3.26Å |
| 227 | L | 89.4 | Confident | 93.8 | Very high | 33 Ų | 33 | 79.2 Ų | 79.2 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -32.2 | 173.8 | -59.1 | -177.8 | 0 | 0 | 0 | 111.3 | F225 E231 K233 S417 | F225-L227 HydrophobicContact CD1-CD2 3.88Å; F225-L227 HydrophobicContact CE1-CD2 4.1Å; F225-L227 PolarHBondContact O-N 3.3Å; L227-E231 HydrophobicContact CB-CB 4.36Å; L227-E231 HydrophobicContact CD1-CG 3.98Å; L227-E231 PolarHBondContact N-O 2.8Å; L227-K233 HydrophobicContact CD1-CD 3.81Å; L227-K233 HydrophobicContact CD1-CG 3.88Å; L227-K233 HydrophobicContact CG-CG 4.49Å; L227-S417 WeakPolarHBondContact CD2-O 3.28Å |
| 228 | N | 83.4 | Confident | 94.1 | Very high | 73 Ų | 73 | 73.1 Ų | 73.1 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -176.9 | 176.4 | 54.9 | 67.1 | 0 | 0 | 0 | 108 | N230 E231 | N228-N230 PolarHBondContact O-N 3.35Å; N228-N230 PolarHBondContact OD1-N 2.95Å; N228-E231 PolarHBondContact N-O 2.99Å; N228-E231 PolarHBondContact ND2-OE2 3.19Å; N228-E231 PolarHBondContact O-N 3.42Å; N228-E231 WeakPolarHBondContact OD1-CB 3.17Å; N228-E231 PolarHBondContact OD1-N 3.01Å |
| 229 | Q | 79.9 | Confident | 94.1 | Very high | 111 Ų | 111 | 67.5 Ų | 67.5 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.8 | -178.2 | -73.5 | -171.1 | -12 | 0 | 0 | 114.8 | A276 T277 G279 | Q229-A276 PolarHBondContact NE2-O 3.26Å; Q229-T277 PolarHBondContact NE2-O 3.19Å; Q229-T277 VanDerWaalsContact NE2-O 3.09Å; Q229-G279 VanDerWaalsContact NE2-CA 3.29Å |
| 230 | N | 85.7 | Confident | 94.1 | Very high | 156 Ų | 156 | 64.8 Ų | 64.8 | 83% | 0.834 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -13.6 | -172 | -61.7 | -44.8 | 0 | 0 | 0 | 113.9 | N228 | N228-N230 PolarHBondContact O-N 3.35Å; N228-N230 PolarHBondContact OD1-N 2.95Å |
| 231 | E | 91.1 | Very high | 94 | Very high | 99 Ų | 99 | 67 Ų | 67 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.4 | -171.9 | -166.6 | -176.5 | 178.4 | 0 | 0 | 110.7 | L227 N228 | L227-E231 HydrophobicContact CB-CB 4.36Å; L227-E231 HydrophobicContact CD1-CG 3.98Å; L227-E231 PolarHBondContact N-O 2.8Å; N228-E231 PolarHBondContact N-O 2.99Å; N228-E231 PolarHBondContact ND2-OE2 3.19Å; N228-E231 PolarHBondContact O-N 3.42Å; N228-E231 WeakPolarHBondContact OD1-CB 3.17Å; N228-E231 PolarHBondContact OD1-N 3.01Å |
| 232 | S | 94.2 | Very high | 93.8 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.9 | 171.5 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | F225 | F225-S232 CarbonylContact O-C 3.6Å; F225-S232 WeakPolarHBondContact O-CA 3.41Å; F225-S232 WeakPolarHBondContact O-CB 3.31Å |
| 233 | K | 95.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 63.6 Ų | 63.6 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.4 | 173.7 | -73.2 | -178 | -177.8 | 167.9 | 0 | 109.9 | F225 L227 S418 P419 | F225-K233 WeakPolarHBondContact CB-O 3.15Å; F225-K233 PolarHBondContact N-O 3.48Å; F225-K233 PolarHBondContact O-N 2.81Å; L227-K233 HydrophobicContact CD1-CD 3.81Å; L227-K233 HydrophobicContact CD1-CG 3.88Å; L227-K233 HydrophobicContact CG-CG 4.49Å; K233-S418 PolarHBondContact NZ-OG 3.24Å; K233-P419 HydrophobicContact CB-CG 3.76Å; K233-P419 HydrophobicContact CD-CG 4.08Å |
| 234 | P | 97.4 | Very high | 93.5 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 138.5 | 175.5 | 28.2 | -33.5 | 0 | 0 | 0 | 110.7 | E222 | E222-P234 HydrophobicContact CG-CB 3.76Å |
| 235 | V | 97.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.1 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | E222 M223 F225 M237 P315 P419 | E222-V235 CarbonylContact C-O 3.6Å; E222-V235 VanDerWaalsContact CA-O 3.31Å; E222-V235 WeakPolarHBondContact CA-O 3.39Å; M223-V235 PolarHBondContact N-O 3.47Å; M223-V235 WeakPolarHBondContact O-CG2 3.4Å; M223-V235 PolarHBondContact O-N 2.9Å; F225-V235 HydrophobicContact CB-CB 4.32Å; F225-V235 HydrophobicContact CB-CG1 3.52Å; F225-V235 HydrophobicContact CB-CG2 3.83Å; F225-V235 HydrophobicContact CG-CG1 4.18Å; V235-M237 HydrophobicContact CG2-CE 3.84Å; V235-M237 PolarHBondContact O-N 3.19Å; V235-P315 HydrophobicContact CB-CB 4.35Å; V235-P315 HydrophobicContact CG2-CB 4.21Å; V235-P419 HydrophobicContact CG1-CB 3.62Å; V235-P419 HydrophobicContact CG1-CG 3.56Å |
| 236 | Q | 97.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 59 Ų | 59 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 103.1 | 166.3 | -65.6 | -59.6 | -53.3 | 0 | 0 | 108 | T220 K316 | T220-Q236 HydrophobicContact CG2-CB 3.9Å; Q236-K316 HydrophobicContact CB-CB 4.16Å; Q236-K316 HydrophobicContact CB-CD 4.49Å; Q236-K316 WeakPolarHBondContact O-CB 3.48Å; Q236-K316 PolarHBondContact O-N 2.97Å |
| 237 | M | 98.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114 | -178.1 | -169.6 | 65.7 | 73.7 | 0 | 0 | 109.6 | T220 K221 M223 V235 H313 L314 P315 D395 | T220-M237 VanDerWaalsContact CA-O 3.31Å; T220-M237 WeakPolarHBondContact CA-O 3.21Å; K221-M237 PolarHBondContact N-O 2.9Å; K221-M237 WeakPolarHBondContact O-CB 3.47Å; K221-M237 PolarHBondContact O-N 3.36Å; M223-M237 HydrophobicContact CB-CB 3.83Å; M223-M237 HydrophobicContact CB-CG 4.45Å; M223-M237 HydrophobicContact CG-CB 3.83Å; M223-M237 HydrophobicContact CG-CG 4.38Å; M223-M237 HydrophobicContact SD-CB 3.64Å; M223-M237 HydrophobicContact SD-CG 3.57Å; M223-M237 VanDerWaalsContact SD-CG 3.57Å; V235-M237 HydrophobicContact CG2-CE 3.84Å; V235-M237 PolarHBondContact O-N 3.19Å; M237-H313 HydrophobicContact CG-CB 3.71Å; M237-H313 VanDerWaalsContact SD-C 3.58Å; M237-H313 HydrophobicContact SD-CB 3.81Å; M237-L314 PolarHBondContact SD-N 2.94Å; M237-L314 VanDerWaalsContact SD-N 3.42Å; M237-P315 HydrophobicContact SD-CB 4.39Å; M237-D395 HydrophobicContact CE-CB 3.99Å |
| 238 | M | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 146.9 | 173.4 | -51 | -178.4 | -62.5 | 0 | 0 | 109.1 | F215 T220 H313 L314 K316 V367 E369 | F215-M238 HydrophobicContact CB-CB 4.05Å; F215-M238 HydrophobicContact CB-SD 4.47Å; F215-M238 HydrophobicContact CD1-CB 3.5Å; F215-M238 HydrophobicContact CD2-CB 4.38Å; F215-M238 HydrophobicContact CD2-CE 4.05Å; F215-M238 HydrophobicContact CD2-SD 4.14Å; F215-M238 HydrophobicContact CE1-CB 3.97Å; F215-M238 HydrophobicContact CE2-CE 3.97Å; F215-M238 HydrophobicContact CG-CB 3.73Å; F215-M238 HydrophobicContact CG-CE 4.49Å; F215-M238 HydrophobicContact CG-SD 4.26Å; F215-M238 HydrophobicContact CZ-CE 4.31Å; T220-M238 HydrophobicContact CG2-CG 4.46Å; M238-H313 VanDerWaalsContact O-CA 3.29Å; M238-H313 WeakPolarHBondContact O-CA 3.2Å; M238-L314 WeakPolarHBondContact CB-O 3.38Å; M238-L314 HydrophobicContact CE-CB 4.24Å; M238-L314 HydrophobicContact CE-CD2 3.97Å; M238-L314 HydrophobicContact CE-CG 4.27Å; M238-L314 PolarHBondContact N-O 3.07Å; M238-L314 PolarHBondContact O-N 3.43Å; M238-K316 HydrophobicContact CG-CB 4.04Å; M238-K316 HydrophobicContact SD-CB 4.18Å; M238-V367 HydrophobicContact CE-CG1 3.79Å; M238-E369 HydrophobicContact CG-CG 4.12Å; M238-E369 HydrophobicContact SD-CB 4.48Å; M238-E369 HydrophobicContact SD-CG 3.82Å |
| 239 | H | 95.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 26% | 0.255 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 137.5 | -177.1 | 165.1 | -91.1 | 0 | 0 | 0 | 111.4 | D219 V312 H313 | D219-H239 HydrophobicContact CB-CB 4.36Å; H239-V312 WeakPolarHBondContact CA-O 3.28Å; H239-H313 AromaticContact CD2-CD2 3.86Å; H239-H313 AromaticContact CD2-CE1 3.6Å; H239-H313 AromaticContact CD2-NE2 3.33Å; H239-H313 PolarHBondContact CD2-NE2 3.31Å; H239-H313 VanDerWaalsContact CD2-NE2 3.33Å |
| 240 | Q | 94.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160.6 | 164.1 | 67.7 | 177.9 | -64.1 | 0 | 0 | 111.7 | N213 F215 F244 V312 | N213-Q240 PolarHBondContact O-NE2 2.9Å; F215-Q240 HydrophobicContact CD1-CB 4Å; F215-Q240 HydrophobicContact CD1-CG 3.75Å; F215-Q240 HydrophobicContact CE1-CB 4.31Å; F215-Q240 HydrophobicContact CE1-CG 3.6Å; F215-Q240 VanDerWaalsContact CE2-NE2 3.29Å; F215-Q240 HydrophobicContact CZ-CG 4.25Å; F215-Q240 VanDerWaalsContact CZ-NE2 3.27Å; Q240-F244 HydrophobicContact CG-CE2 4.03Å; Q240-F244 HydrophobicContact CG-CZ 4.19Å; Q240-V312 PolarHBondContact N-O 3.03Å; Q240-V312 VanDerWaalsContact N-O 3.09Å; Q240-V312 PolarHBondContact O-N 3Å |
| 241 | M | 95.1 | Very high | 95.5 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 114 | 174.1 | -176.5 | -174.8 | -171.9 | 0 | 0 | 109.2 | E309 V310 I311 E389 | M241-E309 HydrophobicContact CE-CB 3.87Å; M241-E309 WeakPolarHBondContact CE-OE2 3.4Å; M241-E309 HydrophobicContact CG-CB 4.42Å; M241-V310 WeakPolarHBondContact CA-O 3.43Å; M241-I311 HydrophobicContact CB-CG1 4.22Å; M241-I311 HydrophobicContact CE-CG1 4.32Å; M241-I311 HydrophobicContact CG-CG1 3.83Å; M241-I311 HydrophobicContact SD-CG1 4.12Å; M241-E389 HydrophobicContact CE-CB 4.42Å |
| 242 | K | 93.8 | Very high | 95.5 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 172.5 | 178.8 | -64.1 | -67 | 177 | 179.6 | 0 | 109.7 | N213 F244 V310 | N213-K242 HydrophobicContact CB-CG 4.47Å; K242-F244 HydrophobicContact CB-CD2 4.14Å; K242-F244 HydrophobicContact CB-CE2 3.62Å; K242-F244 HydrophobicContact CB-CZ 3.86Å; K242-F244 HydrophobicContact CG-CE2 4.32Å; K242-F244 HydrophobicContact CG-CZ 4.3Å; K242-F244 PolarHBondContact O-N 2.84Å; K242-V310 PolarHBondContact N-O 3.03Å; K242-V310 PolarHBondContact O-N 3.14Å |
| 243 | K | 94.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 112.9 | 167.3 | -63.4 | -174.4 | 178.6 | -167.7 | 0 | 109.2 | G307 E309 | K243-G307 VanDerWaalsContact CE-O 3.23Å; K243-G307 WeakPolarHBondContact CE-O 3.28Å; K243-G307 PolarHBondContact NZ-O 3.06Å; K243-E309 HydrophobicContact CG-CG 3.95Å |
| 244 | F | 95.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.022 | 24% | 0.243 | C | C | . | . | trans | -120.1 | 146.8 | 173.1 | -68.7 | -68.8 | 0 | 0 | 0 | 109 | N213 Q240 K242 F246 V257 L259 V310 V312 | N213-F244 HydrophobicContact CB-CE1 4.24Å; N213-F244 HydrophobicContact CB-CZ 4.16Å; Q240-F244 HydrophobicContact CG-CE2 4.03Å; Q240-F244 HydrophobicContact CG-CZ 4.19Å; K242-F244 HydrophobicContact CB-CD2 4.14Å; K242-F244 HydrophobicContact CB-CE2 3.62Å; K242-F244 HydrophobicContact CB-CZ 3.86Å; K242-F244 HydrophobicContact CG-CE2 4.32Å; K242-F244 HydrophobicContact CG-CZ 4.3Å; K242-F244 PolarHBondContact O-N 2.84Å; F244-F246 PolarHBondContact O-N 3.33Å; F244-V257 HydrophobicContact CB-CG2 3.78Å; F244-V257 HydrophobicContact CG-CG2 4.35Å; F244-L259 HydrophobicContact CD1-CD2 3.84Å; F244-L259 HydrophobicContact CD2-CD2 4.33Å; F244-L259 HydrophobicContact CE1-CD2 3.8Å; F244-L259 HydrophobicContact CE2-CD2 4.27Å; F244-L259 HydrophobicContact CG-CD2 4.11Å; F244-L259 HydrophobicContact CZ-CD2 4.02Å; F244-V310 HydrophobicContact CB-CB 4.5Å; F244-V310 HydrophobicContact CB-CG2 4.36Å; F244-V310 HydrophobicContact CD2-CB 4.36Å; F244-V312 HydrophobicContact CD2-CG2 3.7Å; F244-V312 HydrophobicContact CE2-CG2 3.89Å | ||
| 245 | P | 97.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | trans | -57.8 | 122.1 | 165.9 | -17 | 28.7 | 0 | 0 | 0 | 109.7 | E258 M304 D305 T306 | P245-E258 HydrophobicContact CB-CB 3.89Å; P245-E258 HydrophobicContact CG-CB 4Å; P245-E258 HydrophobicContact CG-CG 4.49Å; P245-E258 PolarHBondContact O-N 3.25Å; P245-M304 VanDerWaalsContact C-CE 3.46Å; P245-M304 HydrophobicContact CB-CB 4.02Å; P245-M304 HydrophobicContact CB-CE 3.88Å; P245-M304 HydrophobicContact CB-SD 3.77Å; P245-M304 WeakPolarHBondContact O-CE 3.19Å; P245-D305 CarbonylContact C-O 3.45Å; P245-D305 VanDerWaalsContact CA-O 3.29Å; P245-D305 WeakPolarHBondContact CA-O 3.42Å; P245-T306 HydrophobicContact CB-CG2 4.09Å; P245-T306 HydrophobicContact CG-CG2 4.21Å | ||
| 246 | F | 97.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.4 | -176.1 | 175.5 | -93.6 | 0 | 0 | 0 | 110.9 | F244 Q255 I256 M304 D305 V310 E390 F392 | F244-F246 PolarHBondContact O-N 3.33Å; F246-Q255 HydrophobicContact CE2-CB 4.01Å; F246-Q255 HydrophobicContact CE2-CG 4.28Å; F246-Q255 HydrophobicContact CZ-CB 4.23Å; F246-Q255 HydrophobicContact CZ-CG 4.07Å; F246-I256 CarbonylContact C-O 3.47Å; F246-I256 VanDerWaalsContact CA-O 3.31Å; F246-I256 WeakPolarHBondContact CA-O 3.33Å; F246-I256 WeakPolarHBondContact CD2-O 3.28Å; F246-M304 CarbonylContact O-C 3.57Å; F246-M304 VanDerWaalsContact O-CA 3.31Å; F246-M304 WeakPolarHBondContact O-CA 3.4Å; F246-D305 PolarHBondContact N-O 3.36Å; F246-D305 PolarHBondContact O-N 2.82Å; F246-V310 HydrophobicContact CB-CG2 3.86Å; F246-V310 HydrophobicContact CD2-CG1 4.29Å; F246-V310 HydrophobicContact CG-CG2 4.31Å; F246-E390 HydrophobicContact CD1-CB 4.38Å; F246-E390 HydrophobicContact CD1-CG 4.21Å; F246-E390 HydrophobicContact CE1-CB 4.19Å; F246-E390 HydrophobicContact CE1-CG 4.08Å; F246-E390 HydrophobicContact CZ-CB 4.35Å; F246-F392 HydrophobicContact CE2-CD2 4.15Å |
| 247 | N | 97.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 15% | 0.15 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145.8 | 173.5 | -168.5 | 9.7 | 0 | 0 | 0 | 110 | I256 W298 N303 M304 | N247-I256 HydrophobicContact CB-CB 4.4Å; N247-I256 PolarHBondContact N-O 3.32Å; N247-I256 PolarHBondContact O-N 3.06Å; N247-W298 PolarHBondContact ND2-O 2.99Å; N247-N303 VanDerWaalsContact CG-O 3.28Å; N247-N303 PolarHBondContact ND2-O 3.37Å; N247-N303 PolarHBondContact OD1-O 3.46Å; N247-M304 HydrophobicContact CB-CE 4.46Å; N247-M304 HydrophobicContact CB-CG 4.13Å |
| 248 | Y | 96.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.7 | 170.2 | 179.7 | -108.6 | 0 | 0 | 0 | 108.6 | P250 N253 L254 Q255 E274 | Y248-P250 HydrophobicContact CD1-CG 4.02Å; Y248-P250 HydrophobicContact CE1-CB 4.14Å; Y248-P250 HydrophobicContact CE1-CG 4Å; Y248-P250 WeakPolarHBondContact O-CD 3.28Å; Y248-N253 PolarHBondContact OH-OD1 2.9Å; Y248-L254 CarbonylContact C-O 3.4Å; Y248-L254 WeakPolarHBondContact CA-O 3.47Å; Y248-L254 WeakPolarHBondContact CD2-O 3.47Å; Y248-Q255 HydrophobicContact CD2-CG 3.87Å; Y248-Q255 HydrophobicContact CE2-CG 4.34Å; Y248-E274 PolarHBondContact OH-OE1 2.82Å |
| 249 | V | 95.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.085 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 100.3 | -179 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | D251 Y252 N253 L254 I256 W298 | V249-D251 PolarHBondContact O-N 2.88Å; V249-Y252 HydrophobicContact CG1-CD2 3.91Å; V249-Y252 PolarHBondContact O-N 2.94Å; V249-N253 PolarHBondContact O-N 3.33Å; V249-N253 VanDerWaalsContact O-N 3.13Å; V249-L254 HydrophobicContact CB-CB 4.23Å; V249-L254 PolarHBondContact N-O 3.12Å; V249-L254 PolarHBondContact O-N 3.42Å; V249-L254 VanDerWaalsContact O-N 3.16Å; V249-I256 HydrophobicContact CG2-CD1 4.11Å; V249-W298 HydrophobicContact CG1-CZ2 4.24Å; V249-W298 HydrophobicContact CG2-CB 4.31Å; V249-W298 HydrophobicContact CG2-CD2 4.17Å; V249-W298 HydrophobicContact CG2-CG 3.84Å |
| 250 | P | 92.5 | Very high | 95.5 | Very high | 83 Ų | 83 | 39.6 Ų | 39.6 | 54% | 0.539 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -63.2 | -36.2 | -170.3 | -24.3 | 35.5 | 0 | 0 | 0 | 114.1 | Y248 Y252 N253 | Y248-P250 HydrophobicContact CD1-CG 4.02Å; Y248-P250 HydrophobicContact CE1-CB 4.14Å; Y248-P250 HydrophobicContact CE1-CG 4Å; Y248-P250 WeakPolarHBondContact O-CD 3.28Å; P250-Y252 PolarHBondContact O-N 2.88Å; P250-N253 PolarHBondContact O-N 3.36Å; P250-N253 VanDerWaalsContact O-N 3.12Å; P250-N253 PolarHBondContact O-OD1 2.91Å |
| 251 | D | 89.4 | Confident | 95.4 | Very high | 132 Ų | 132 | 39.2 Ų | 39.2 | 71% | 0.706 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -62.5 | -18.3 | -178.5 | -67.2 | -17.9 | 0 | 0 | 0 | 113.4 | V249 K285 | V249-D251 PolarHBondContact O-N 2.88Å; D251-K285 PolarHBondContact O-NZ 2.83Å |
| 252 | Y | 89.5 | Confident | 95.3 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -116.6 | -2.6 | -179.2 | -71.9 | -85.9 | 0 | 0 | 0 | 113.5 | V249 P250 L254 K285 E289 K294 W298 | V249-Y252 HydrophobicContact CG1-CD2 3.91Å; V249-Y252 PolarHBondContact O-N 2.94Å; P250-Y252 PolarHBondContact O-N 2.88Å; Y252-L254 PolarHBondContact O-N 3.43Å; Y252-K285 HydrophobicContact CE1-CG 4.44Å; Y252-E289 HydrophobicContact CE1-CB 4.01Å; Y252-E289 VanDerWaalsContact CE1-OE2 3.24Å; Y252-E289 WeakPolarHBondContact CE1-OE2 3.46Å; Y252-E289 PolarHBondContact OH-OE2 3.02Å; Y252-K294 PolarHBondContact OH-NZ 2.94Å; Y252-W298 HydrophobicContact CD1-CH2 4.45Å; Y252-W298 AromaticContact CD2-CH2 3.94Å; Y252-W298 HydrophobicContact CD2-CH2 3.94Å; Y252-W298 AromaticContact CD2-CZ2 3.6Å; Y252-W298 HydrophobicContact CD2-CZ2 3.6Å; Y252-W298 HydrophobicContact CE2-CH2 4.03Å; Y252-W298 AromaticContact CE2-CZ2 3.61Å; Y252-W298 HydrophobicContact CE2-CZ2 3.61Å; Y252-W298 HydrophobicContact CG-CH2 4.18Å; Y252-W298 HydrophobicContact CG-CZ2 4.28Å |
| 253 | N | 92.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 41% | 0.412 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | 49.9 | -166.2 | -63.3 | -17.5 | 0 | 0 | 0 | 110.9 | Y248 V249 P250 P273 E274 | Y248-N253 PolarHBondContact OH-OD1 2.9Å; V249-N253 PolarHBondContact O-N 3.33Å; V249-N253 VanDerWaalsContact O-N 3.13Å; P250-N253 PolarHBondContact O-N 3.36Å; P250-N253 VanDerWaalsContact O-N 3.12Å; P250-N253 PolarHBondContact O-OD1 2.91Å; N253-P273 CarbonylContact O-C 3.55Å; N253-E274 HydrophobicContact CB-CB 3.87Å; N253-E274 HydrophobicContact CB-CG 3.93Å; N253-E274 WeakPolarHBondContact O-CG 3.28Å; N253-E274 PolarHBondContact O-N 2.88Å |
| 254 | L | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.3 | -166.7 | 171.6 | 66.8 | 0 | 0 | 0 | 110.2 | Y248 V249 Y252 I256 L271 P273 L286 W298 | Y248-L254 CarbonylContact C-O 3.4Å; Y248-L254 WeakPolarHBondContact CA-O 3.47Å; Y248-L254 WeakPolarHBondContact CD2-O 3.47Å; V249-L254 HydrophobicContact CB-CB 4.23Å; V249-L254 PolarHBondContact N-O 3.12Å; V249-L254 PolarHBondContact O-N 3.42Å; V249-L254 VanDerWaalsContact O-N 3.16Å; Y252-L254 PolarHBondContact O-N 3.43Å; L254-I256 HydrophobicContact CD1-CG1 4.46Å; L254-I256 HydrophobicContact CD2-CD1 3.91Å; L254-I256 HydrophobicContact CD2-CG1 4.09Å; L254-I256 HydrophobicContact CG-CD1 4.23Å; L254-I256 HydrophobicContact CG-CG1 3.87Å; L254-L271 HydrophobicContact CD1-CB 4.01Å; L254-L271 HydrophobicContact CD2-CD2 4.32Å; L254-P273 HydrophobicContact CD1-CB 4.39Å; L254-L286 HydrophobicContact CD1-CD2 4.03Å; L254-L286 HydrophobicContact CD2-CD1 3.86Å; L254-W298 HydrophobicContact CD2-CE3 3.85Å; L254-W298 HydrophobicContact CD2-CH2 4.28Å; L254-W298 HydrophobicContact CD2-CZ3 3.71Å |
| 255 | Q | 97.7 | Very high | 95 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 140.1 | 168.4 | -62.8 | -176.1 | -54.2 | 0 | 0 | 110.3 | F246 Y248 L272 H391 F392 | F246-Q255 HydrophobicContact CE2-CB 4.01Å; F246-Q255 HydrophobicContact CE2-CG 4.28Å; F246-Q255 HydrophobicContact CZ-CB 4.23Å; F246-Q255 HydrophobicContact CZ-CG 4.07Å; Y248-Q255 HydrophobicContact CD2-CG 3.87Å; Y248-Q255 HydrophobicContact CE2-CG 4.34Å; Q255-L272 HydrophobicContact CB-CB 4.46Å; Q255-L272 PolarHBondContact N-O 2.84Å; Q255-L272 PolarHBondContact O-N 3.37Å; Q255-H391 PolarHBondContact NE2-O 3.16Å; Q255-F392 HydrophobicContact CB-CD2 3.82Å; Q255-F392 HydrophobicContact CB-CE2 3.88Å |
| 256 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 125.4 | 178.3 | -50 | 179.5 | 0 | 0 | 0 | 108.8 | F246 N247 V249 L254 V270 L271 W298 T299 M304 | F246-I256 CarbonylContact C-O 3.47Å; F246-I256 VanDerWaalsContact CA-O 3.31Å; F246-I256 WeakPolarHBondContact CA-O 3.33Å; F246-I256 WeakPolarHBondContact CD2-O 3.28Å; N247-I256 HydrophobicContact CB-CB 4.4Å; N247-I256 PolarHBondContact N-O 3.32Å; N247-I256 PolarHBondContact O-N 3.06Å; V249-I256 HydrophobicContact CG2-CD1 4.11Å; L254-I256 HydrophobicContact CD1-CG1 4.46Å; L254-I256 HydrophobicContact CD2-CD1 3.91Å; L254-I256 HydrophobicContact CD2-CG1 4.09Å; L254-I256 HydrophobicContact CG-CD1 4.23Å; L254-I256 HydrophobicContact CG-CG1 3.87Å; I256-V270 VanDerWaalsContact CA-O 3.29Å; I256-V270 WeakPolarHBondContact CA-O 3.4Å; I256-L271 HydrophobicContact CD1-CD2 4.42Å; I256-L271 HydrophobicContact CD1-CG 4.19Å; I256-L271 HydrophobicContact CG1-CG 4.07Å; I256-L271 HydrophobicContact CG2-CD1 4.22Å; I256-L271 HydrophobicContact CG2-CG 4.27Å; I256-W298 HydrophobicContact CD1-CB 3.54Å; I256-W298 HydrophobicContact CD1-CD2 4.43Å; I256-W298 HydrophobicContact CD1-CE3 4.26Å; I256-W298 HydrophobicContact CD1-CG 4.2Å; I256-T299 HydrophobicContact CG2-CG2 4.36Å; I256-M304 HydrophobicContact CG2-CE 4.34Å |
| 257 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.5 | 172.7 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | F244 L259 F269 V270 V312 F392 | F244-V257 HydrophobicContact CB-CG2 3.78Å; F244-V257 HydrophobicContact CG-CG2 4.35Å; V257-L259 HydrophobicContact CG1-CD2 4.5Å; V257-L259 HydrophobicContact CG1-CG 4.28Å; V257-L259 HydrophobicContact CG2-CD2 4.06Å; V257-F269 WeakPolarHBondContact O-CA 3.36Å; V257-V270 HydrophobicContact CG1-CB 4.05Å; V257-V270 HydrophobicContact CG1-CG2 4.38Å; V257-V270 PolarHBondContact N-O 3.29Å; V257-V270 VanDerWaalsContact N-O 3.11Å; V257-V270 PolarHBondContact O-N 2.67Å; V257-V312 HydrophobicContact CG2-CG2 4.24Å; V257-F392 HydrophobicContact CB-CD1 4.47Å; V257-F392 HydrophobicContact CB-CD2 4.04Å; V257-F392 HydrophobicContact CB-CE2 4.14Å; V257-F392 HydrophobicContact CB-CG 4.2Å; V257-F392 HydrophobicContact CB-CZ 4.41Å; V257-F392 HydrophobicContact CG1-CD1 3.74Å; V257-F392 HydrophobicContact CG1-CD2 4Å; V257-F392 HydrophobicContact CG1-CE1 3.54Å; V257-F392 HydrophobicContact CG1-CE2 3.81Å; V257-F392 HydrophobicContact CG1-CG 3.97Å; V257-F392 HydrophobicContact CG1-CZ 3.58Å |
| 258 | E | 98.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.8 | 168.1 | -174.2 | -179.3 | 163.4 | 0 | 0 | 110.4 | P245 P260 S267 F269 R301 M304 | P245-E258 HydrophobicContact CB-CB 3.89Å; P245-E258 HydrophobicContact CG-CB 4Å; P245-E258 HydrophobicContact CG-CG 4.49Å; P245-E258 PolarHBondContact O-N 3.25Å; E258-P260 WeakPolarHBondContact O-CD 3.31Å; E258-S267 WeakPolarHBondContact OE1-CB 3.46Å; E258-S267 PolarHBondContact OE1-OG 3.39Å; E258-F269 HydrophobicContact CB-CD1 3.98Å; E258-F269 HydrophobicContact CB-CE1 3.59Å; E258-F269 HydrophobicContact CB-CZ 4.09Å; E258-F269 HydrophobicContact CG-CD1 4.14Å; E258-F269 HydrophobicContact CG-CE1 3.51Å; E258-F269 HydrophobicContact CG-CE2 4.09Å; E258-F269 HydrophobicContact CG-CZ 3.44Å; E258-F269 VanDerWaalsContact CG-CZ 3.44Å; E258-F269 WeakPolarHBondContact OE2-CE1 3.34Å; E258-F269 WeakPolarHBondContact OE2-CZ 3.45Å; E258-R301 VanDerWaalsContact CD-NH2 3.32Å; E258-R301 IonicContact OE1-NH2 3.86Å; E258-R301 PolarHBondContact OE1-NH2 3.44Å; E258-R301 IonicContact OE2-CZ 3.36Å; E258-R301 VanDerWaalsContact OE2-CZ 3.24Å; E258-R301 IonicContact OE2-NH1 3.57Å; E258-R301 PolarHBondContact OE2-NH1 2.88Å; E258-R301 IonicContact OE2-NH2 2.78Å; E258-R301 PolarHBondContact OE2-NH2 2.89Å; E258-M304 HydrophobicContact CB-CE 4.07Å; E258-M304 HydrophobicContact CB-SD 4.45Å |
| 259 | L | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 98.1 | 175.6 | -58.4 | 176.4 | 0 | 0 | 0 | 108.6 | W211 F244 V257 M268 V270 V312 L314 | W211-L259 HydrophobicContact CE3-CB 4.13Å; W211-L259 HydrophobicContact CH2-CB 4.3Å; W211-L259 HydrophobicContact CH2-CD1 4.43Å; W211-L259 HydrophobicContact CZ3-CB 3.64Å; F244-L259 HydrophobicContact CD1-CD2 3.84Å; F244-L259 HydrophobicContact CD2-CD2 4.33Å; F244-L259 HydrophobicContact CE1-CD2 3.8Å; F244-L259 HydrophobicContact CE2-CD2 4.27Å; F244-L259 HydrophobicContact CG-CD2 4.11Å; F244-L259 HydrophobicContact CZ-CD2 4.02Å; V257-L259 HydrophobicContact CG1-CD2 4.5Å; V257-L259 HydrophobicContact CG1-CG 4.28Å; V257-L259 HydrophobicContact CG2-CD2 4.06Å; L259-M268 HydrophobicContact CB-CB 4.43Å; L259-M268 PolarHBondContact N-O 3Å; L259-M268 PolarHBondContact O-N 3.06Å; L259-V270 HydrophobicContact CD1-CG2 4.44Å; L259-V312 HydrophobicContact CD2-CG1 4.42Å; L259-V312 HydrophobicContact CD2-CG2 4.44Å; L259-L314 HydrophobicContact CD1-CD2 3.78Å |
| 260 | P | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.071 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.6 | -179.5 | 25.7 | -31.8 | 0 | 0 | 0 | 111.8 | L212 E258 E264 | L212-P260 HydrophobicContact CB-CB 4.24Å; L212-P260 HydrophobicContact CB-CG 4.1Å; L212-P260 WeakPolarHBondContact CB-O 3.32Å; L212-P260 HydrophobicContact CD2-CB 4.16Å; L212-P260 HydrophobicContact CD2-CG 3.81Å; L212-P260 PolarHBondContact N-O 2.85Å; E258-P260 WeakPolarHBondContact O-CD 3.31Å; P260-E264 HydrophobicContact CB-CG 4.1Å |
| 261 | Y | 94.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -82.9 | 169.1 | 164.1 | -67.8 | -87 | 0 | 0 | 0 | 110.2 | F207 N210 W211 E264 L266 M268 I402 | F207-Y261 AromaticContact CE1-CE1 3.91Å; F207-Y261 HydrophobicContact CE1-CE1 3.91Å; F207-Y261 HydrophobicContact CE1-CE2 4.27Å; F207-Y261 AromaticContact CE1-CZ 3.65Å; F207-Y261 HydrophobicContact CZ-CD1 4.17Å; F207-Y261 HydrophobicContact CZ-CD2 4.4Å; F207-Y261 AromaticContact CZ-CE1 3.78Å; F207-Y261 HydrophobicContact CZ-CE1 3.78Å; F207-Y261 HydrophobicContact CZ-CE2 4.02Å; F207-Y261 HydrophobicContact CZ-CG 4.47Å; F207-Y261 AromaticContact CZ-CZ 3.71Å; N210-Y261 CarbonylContact O-C 3.54Å; N210-Y261 VanDerWaalsContact O-CA 3.28Å; N210-Y261 WeakPolarHBondContact O-CA 3.47Å; N210-Y261 WeakPolarHBondContact O-CB 3.08Å; N210-Y261 WeakPolarHBondContact O-CD1 3.37Å; W211-Y261 HydrophobicContact CD2-CE1 4.25Å; W211-Y261 HydrophobicContact CE3-CD1 4.06Å; W211-Y261 AromaticContact CE3-CE1 3.83Å; W211-Y261 HydrophobicContact CE3-CE1 3.83Å; W211-Y261 HydrophobicContact CE3-CE2 4.43Å; W211-Y261 HydrophobicContact CE3-CG 4.47Å; W211-Y261 HydrophobicContact CH2-CE1 4.12Å; W211-Y261 HydrophobicContact CH2-CE2 4.36Å; W211-Y261 AromaticContact CH2-CZ 3.71Å; W211-Y261 WeakPolarHBondContact CH2-OH 3.2Å; W211-Y261 HydrophobicContact CZ3-CD1 4.31Å; W211-Y261 HydrophobicContact CZ3-CD2 4.35Å; W211-Y261 AromaticContact CZ3-CE1 3.75Å; W211-Y261 HydrophobicContact CZ3-CE1 3.75Å; W211-Y261 AromaticContact CZ3-CE2 3.8Å; W211-Y261 HydrophobicContact CZ3-CE2 3.8Å; W211-Y261 AromaticContact CZ3-CZ 3.45Å; W211-Y261 VanDerWaalsContact CZ3-CZ 3.45Å; Y261-E264 WeakPolarHBondContact O-CA 3.29Å; Y261-E264 PolarHBondContact O-N 2.96Å; Y261-L266 WeakPolarHBondContact CB-O 3.25Å; Y261-L266 HydrophobicContact CD2-CB 3.75Å; Y261-L266 HydrophobicContact CG-CB 4.29Å; Y261-L266 PolarHBondContact N-O 3.05Å; Y261-M268 HydrophobicContact CE2-CB 3.99Å; Y261-M268 WeakPolarHBondContact OH-CE 3.32Å; Y261-I402 HydrophobicContact CE2-CG2 4.23Å |
| 262 | V | 92.4 | Very high | 95.7 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 19% | 0.188 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -47.3 | 143 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.9 | S123 N210 E264 | S123-V262 PolarHBondContact OG-O 3.24Å; S123-V262 VanDerWaalsContact OG-O 3.05Å; N210-V262 HydrophobicContact CB-CG2 3.85Å; N210-V262 WeakPolarHBondContact O-CG2 3.45Å; N210-V262 PolarHBondContact O-N 3.05Å; V262-E264 PolarHBondContact O-N 3.01Å |
| 263 | D | 91.3 | Very high | 95.9 | Very high | 117 Ų | 117 | 21.9 Ų | 21.9 | 63% | 0.626 | 11% | 0.112 | S | C | * | . | G | 310 helix | trans | 58.7 | 6.1 | -176.7 | -58.1 | -29.8 | 0 | 0 | 0 | 115.6 | S123 E265 | S123-D263 WeakPolarHBondContact CB-OD2 3.12Å; D263-E265 HydrophobicContact CB-CG 4.18Å; D263-E265 PolarHBondContact O-N 3.35Å |
| 264 | E | 92.7 | Very high | 95.8 | Very high | 107 Ų | 107 | 22.6 Ų | 22.6 | 50% | 0.5 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | 55 | 22.5 | 178.8 | -58.6 | -179.5 | -111.5 | 0 | 0 | 113.4 | L212 P260 Y261 V262 L266 N405 | L212-E264 HydrophobicContact CD2-CG 3.91Å; P260-E264 HydrophobicContact CB-CG 4.1Å; Y261-E264 WeakPolarHBondContact O-CA 3.29Å; Y261-E264 PolarHBondContact O-N 2.96Å; V262-E264 PolarHBondContact O-N 3.01Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-N405 PolarHBondContact O-ND2 3.44Å |
| 265 | E | 92.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 26.8 Ų | 26.8 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -68.7 | -36 | 174.7 | -64.8 | -173.9 | 119.9 | 0 | 0 | 111 | A122 S123 Y124 D263 H404 N405 | A122-E265 WeakPolarHBondContact CA-OE2 3.14Å; S123-E265 PolarHBondContact N-OE2 3.47Å; S123-E265 PolarHBondContact OG-OE2 2.93Å; Y124-E265 HydrophobicContact CD1-CB 4.41Å; Y124-E265 HydrophobicContact CE1-CB 3.89Å; D263-E265 HydrophobicContact CB-CG 4.18Å; D263-E265 PolarHBondContact O-N 3.35Å; E265-H404 PolarHBondContact O-CD2 2.91Å; E265-H404 VanDerWaalsContact O-CD2 3.24Å; E265-N405 PolarHBondContact O-N 2.94Å |
| 266 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149 | 176 | -60.5 | 175.5 | 0 | 0 | 0 | 110.8 | Y124 F207 Y261 E264 I402 R403 H404 L411 | Y124-L266 HydrophobicContact CD1-CD1 3.44Å; Y124-L266 VanDerWaalsContact CD1-CD1 3.44Å; Y124-L266 HydrophobicContact CD1-CG 3.78Å; Y124-L266 HydrophobicContact CD2-CD1 3.56Å; Y124-L266 HydrophobicContact CE1-CD1 3.62Å; Y124-L266 HydrophobicContact CE1-CD2 4.27Å; Y124-L266 HydrophobicContact CE1-CG 3.6Å; Y124-L266 HydrophobicContact CE2-CD1 3.72Å; Y124-L266 HydrophobicContact CE2-CG 4.4Å; Y124-L266 HydrophobicContact CG-CD1 3.4Å; Y124-L266 HydrophobicContact CG-CG 4.26Å; F207-L266 HydrophobicContact CD2-CD1 4.29Å; F207-L266 HydrophobicContact CE2-CD1 3.35Å; F207-L266 HydrophobicContact CZ-CD1 3.88Å; Y261-L266 WeakPolarHBondContact CB-O 3.25Å; Y261-L266 HydrophobicContact CD2-CB 3.75Å; Y261-L266 HydrophobicContact CG-CB 4.29Å; Y261-L266 PolarHBondContact N-O 3.05Å; E264-L266 VanDerWaalsContact C-N 3.31Å; L266-I402 HydrophobicContact CB-CG2 4.4Å; L266-I402 HydrophobicContact CD1-CG2 4.5Å; L266-R403 VanDerWaalsContact CA-O 3.29Å; L266-R403 WeakPolarHBondContact CA-O 3.31Å; L266-H404 HydrophobicContact CD2-CB 3.92Å; L266-L411 HydrophobicContact CD1-CD1 4.44Å; L266-L411 HydrophobicContact CD2-CD1 3.47Å; L266-L411 VanDerWaalsContact CD2-CD1 3.47Å; L266-L411 HydrophobicContact CD2-CG 4.33Å |
| 267 | S | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.9 | 165.9 | -65.6 | 0 | 0 | 0 | 0 | 110.7 | E258 I402 R403 N405 | E258-S267 WeakPolarHBondContact OE1-CB 3.46Å; E258-S267 PolarHBondContact OE1-OG 3.39Å; S267-I402 WeakPolarHBondContact O-CA 3.25Å; S267-R403 PolarHBondContact N-O 3Å; S267-R403 PolarHBondContact O-N 3.41Å; S267-N405 PolarHBondContact OG-ND2 2.84Å |
| 268 | M | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130 | 162.3 | -178.7 | 177.5 | -74 | 0 | 0 | 108.8 | W211 L259 Y261 V270 V367 F400 F401 I402 | W211-M268 HydrophobicContact CH2-CB 3.93Å; W211-M268 HydrophobicContact CH2-CE 3.98Å; W211-M268 HydrophobicContact CH2-CG 4.48Å; W211-M268 HydrophobicContact CH2-SD 3.77Å; W211-M268 HydrophobicContact CZ3-CB 3.92Å; L259-M268 HydrophobicContact CB-CB 4.43Å; L259-M268 PolarHBondContact N-O 3Å; L259-M268 PolarHBondContact O-N 3.06Å; Y261-M268 HydrophobicContact CE2-CB 3.99Å; Y261-M268 WeakPolarHBondContact OH-CE 3.32Å; M268-V270 HydrophobicContact CG-CG2 4.08Å; M268-V270 HydrophobicContact SD-CG2 4.11Å; M268-V367 HydrophobicContact CE-CG2 3.62Å; M268-F400 HydrophobicContact CE-CD2 4.14Å; M268-F400 HydrophobicContact CE-CE2 4.48Å; M268-F400 HydrophobicContact SD-CD2 4.44Å; M268-F401 CarbonylContact C-O 3.58Å; M268-F401 WeakPolarHBondContact CA-O 3.38Å; M268-I402 HydrophobicContact CB-CG1 4.35Å; M268-I402 HydrophobicContact CE-CD1 3.96Å; M268-I402 HydrophobicContact CE-CG1 4.03Å; M268-I402 HydrophobicContact CG-CG1 4.43Å |
| 269 | F | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | 169.1 | -68 | -95.2 | 0 | 0 | 0 | 108.1 | V257 E258 L271 T299 M304 F400 F401 R403 | V257-F269 WeakPolarHBondContact O-CA 3.36Å; E258-F269 HydrophobicContact CB-CD1 3.98Å; E258-F269 HydrophobicContact CB-CE1 3.59Å; E258-F269 HydrophobicContact CB-CZ 4.09Å; E258-F269 HydrophobicContact CG-CD1 4.14Å; E258-F269 HydrophobicContact CG-CE1 3.51Å; E258-F269 HydrophobicContact CG-CE2 4.09Å; E258-F269 HydrophobicContact CG-CZ 3.44Å; E258-F269 VanDerWaalsContact CG-CZ 3.44Å; E258-F269 WeakPolarHBondContact OE2-CE1 3.34Å; E258-F269 WeakPolarHBondContact OE2-CZ 3.45Å; F269-L271 HydrophobicContact CB-CD1 4.19Å; F269-T299 HydrophobicContact CD1-CG2 3.83Å; F269-T299 HydrophobicContact CE1-CG2 4.25Å; F269-T299 HydrophobicContact CG-CG2 4.43Å; F269-M304 HydrophobicContact CE1-SD 4.3Å; F269-F400 CarbonylContact O-C 3.57Å; F269-F400 WeakPolarHBondContact O-CA 3.26Å; F269-F400 WeakPolarHBondContact O-CB 3.37Å; F269-F401 HydrophobicContact CB-CD1 3.81Å; F269-F401 HydrophobicContact CB-CD2 4.25Å; F269-F401 HydrophobicContact CB-CE1 3.3Å; F269-F401 HydrophobicContact CB-CE2 3.8Å; F269-F401 HydrophobicContact CB-CG 4.25Å; F269-F401 HydrophobicContact CB-CZ 3.3Å; F269-F401 HydrophobicContact CD1-CZ 4.03Å; F269-F401 AromaticContact CD2-CD2 3.95Å; F269-F401 HydrophobicContact CD2-CD2 3.95Å; F269-F401 HydrophobicContact CD2-CE1 4.3Å; F269-F401 AromaticContact CD2-CE2 3.2Å; F269-F401 HydrophobicContact CD2-CE2 3.2Å; F269-F401 AromaticContact CD2-CZ 3.42Å; F269-F401 HydrophobicContact CD2-CZ 3.42Å; F269-F401 VanDerWaalsContact CD2-CZ 3.42Å; F269-F401 AromaticContact CE2-CE2 3.96Å; F269-F401 HydrophobicContact CE2-CE2 3.96Å; F269-F401 HydrophobicContact CE2-CZ 4.28Å; F269-F401 HydrophobicContact CG-CD2 4.42Å; F269-F401 AromaticContact CG-CE1 3.86Å; F269-F401 HydrophobicContact CG-CE1 3.86Å; F269-F401 AromaticContact CG-CE2 3.62Å; F269-F401 HydrophobicContact CG-CE2 3.62Å; F269-F401 AromaticContact CG-CZ 3.28Å; F269-F401 HydrophobicContact CG-CZ 3.28Å; F269-F401 PolarHBondContact N-O 3.26Å; F269-F401 PolarHBondContact O-N 3Å; F269-R403 HydrophobicContact CD2-CB 4.37Å; F269-R403 HydrophobicContact CE2-CB 4.15Å |
| 270 | V | 98.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124 | 175.5 | -168.3 | 0 | 0 | 0 | 0 | 108.1 | I256 V257 L259 M268 L314 F392 F398 F400 | I256-V270 VanDerWaalsContact CA-O 3.29Å; I256-V270 WeakPolarHBondContact CA-O 3.4Å; V257-V270 HydrophobicContact CG1-CB 4.05Å; V257-V270 HydrophobicContact CG1-CG2 4.38Å; V257-V270 PolarHBondContact N-O 3.29Å; V257-V270 VanDerWaalsContact N-O 3.11Å; V257-V270 PolarHBondContact O-N 2.67Å; L259-V270 HydrophobicContact CD1-CG2 4.44Å; M268-V270 HydrophobicContact CG-CG2 4.08Å; M268-V270 HydrophobicContact SD-CG2 4.11Å; V270-L314 HydrophobicContact CG1-CD1 4.44Å; V270-L314 HydrophobicContact CG2-CD1 4.05Å; V270-F392 HydrophobicContact CB-CE1 4.06Å; V270-F392 HydrophobicContact CB-CZ 3.68Å; V270-F392 HydrophobicContact CG1-CE1 3.95Å; V270-F392 HydrophobicContact CG1-CZ 3.61Å; V270-F398 HydrophobicContact CG1-CB 4.17Å; V270-F398 HydrophobicContact CG1-CD2 3.5Å; V270-F398 HydrophobicContact CG1-CE2 4Å; V270-F398 HydrophobicContact CG1-CG 3.88Å; V270-F400 HydrophobicContact CG2-CB 4.44Å |
| 271 | L | 98.3 | Very high | 89 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 103.7 | -176.9 | -80 | 80 | 0 | 0 | 0 | 106.8 | L254 I256 F269 P273 L286 L295 W298 L399 F401 | L254-L271 HydrophobicContact CD1-CB 4.01Å; L254-L271 HydrophobicContact CD2-CD2 4.32Å; I256-L271 HydrophobicContact CD1-CD2 4.42Å; I256-L271 HydrophobicContact CD1-CG 4.19Å; I256-L271 HydrophobicContact CG1-CG 4.07Å; I256-L271 HydrophobicContact CG2-CD1 4.22Å; I256-L271 HydrophobicContact CG2-CG 4.27Å; F269-L271 HydrophobicContact CB-CD1 4.19Å; L271-P273 WeakPolarHBondContact O-CD 3.4Å; L271-L286 HydrophobicContact CB-CD2 4.29Å; L271-L295 HydrophobicContact CD2-CD1 4.36Å; L271-W298 HydrophobicContact CD2-CE3 4.4Å; L271-L399 HydrophobicContact CB-CB 4.07Å; L271-L399 PolarHBondContact N-O 2.82Å; L271-L399 PolarHBondContact O-N 3.4Å; L271-F401 HydrophobicContact CD1-CD1 3.87Å; L271-F401 HydrophobicContact CD1-CE1 3.55Å |
| 272 | L | 97.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 96.1 | -172.6 | -177 | 70.1 | 0 | 0 | 0 | 109.6 | Q255 F392 T393 A394 H396 F398 | Q255-L272 HydrophobicContact CB-CB 4.46Å; Q255-L272 PolarHBondContact N-O 2.84Å; Q255-L272 PolarHBondContact O-N 3.37Å; L272-F392 HydrophobicContact CB-CE2 3.6Å; L272-F392 HydrophobicContact CB-CZ 3.58Å; L272-F392 HydrophobicContact CD2-CD2 4.32Å; L272-F392 HydrophobicContact CD2-CE1 4.3Å; L272-F392 HydrophobicContact CD2-CE2 4.04Å; L272-F392 HydrophobicContact CD2-CZ 4.01Å; L272-F392 HydrophobicContact CG-CE2 4.5Å; L272-F392 HydrophobicContact CG-CZ 4.42Å; L272-T393 VanDerWaalsContact CD2-O 3.25Å; L272-T393 WeakPolarHBondContact CD2-O 3.5Å; L272-A394 HydrophobicContact CD1-CB 4.3Å; L272-H396 WeakPolarHBondContact CD1-NE2 3.03Å; L272-F398 HydrophobicContact CD1-CB 3.84Å |
| 273 | P | 95.2 | Very high | 88.2 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 141.9 | 172.2 | 29.7 | -33.6 | 0 | 0 | 0 | 110 | N253 L254 L271 P282 L283 L286 H396 | N253-P273 CarbonylContact O-C 3.55Å; L254-P273 HydrophobicContact CD1-CB 4.39Å; L271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-P282 HydrophobicContact CB-CB 4.09Å; P273-P282 HydrophobicContact CG-CB 3.83Å; P273-P282 HydrophobicContact CG-CG 4.27Å; P273-L283 HydrophobicContact CG-CD2 3.72Å; P273-L286 HydrophobicContact CG-CD2 4.4Å; P273-H396 PolarHBondContact O-NE2 2.59Å |
| 274 | E | 90.2 | Very high | 88 | Confident | 92 Ų | 92 | 43.2 Ų | 43.2 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 150.1 | 172.6 | -73.8 | -178.5 | -176.9 | 0 | 0 | 111.7 | Y248 N253 A276 P282 | Y248-E274 PolarHBondContact OH-OE1 2.82Å; N253-E274 HydrophobicContact CB-CB 3.87Å; N253-E274 HydrophobicContact CB-CG 3.93Å; N253-E274 WeakPolarHBondContact O-CG 3.28Å; N253-E274 PolarHBondContact O-N 2.88Å; E274-A276 PolarHBondContact O-N 2.63Å; E274-P282 WeakPolarHBondContact O-CB 3.42Å |
| 275 | E | 82.4 | Confident | 87.7 | Confident | 89 Ų | 89 | 42.5 Ų | 42.5 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 131.4 | 176.6 | -73.8 | 172.9 | -119 | 0 | 0 | 111.8 | K226 T277 H396 | K226-E275 WeakPolarHBondContact CD-OE2 3.34Å; K226-E275 VanDerWaalsContact NZ-CD 3.25Å; K226-E275 IonicContact NZ-OE1 2.85Å; K226-E275 PolarHBondContact NZ-OE1 3.44Å; K226-E275 IonicContact NZ-OE2 2.98Å; K226-E275 PolarHBondContact NZ-OE2 3.27Å; K226-E275 VanDerWaalsContact NZ-OE2 3.14Å; E275-T277 PolarHBondContact O-N 3.27Å; E275-H396 IonicContact OE1-ND1 3.28Å |
| 276 | A | 74.9 | Confident | 87.7 | Confident | 24 Ų | 24 | 40 Ų | 40 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 127.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q229 E274 D278 G279 S280 | Q229-A276 PolarHBondContact NE2-O 3.26Å; E274-A276 PolarHBondContact O-N 2.63Å; A276-D278 WeakPolarHBondContact CB-OD1 3.38Å; A276-D278 PolarHBondContact O-N 3.36Å; A276-G279 PolarHBondContact O-N 3.21Å; A276-S280 VanDerWaalsContact CB-O 3.28Å; A276-S280 WeakPolarHBondContact CB-O 3.37Å; A276-S280 VanDerWaalsContact CB-OG 3.3Å; A276-S280 WeakPolarHBondContact CB-OG 3.29Å |
| 277 | T | 74.5 | Confident | 87.5 | Confident | 143 Ų | 143 | 41 Ų | 41 | 88% | 0.877 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | Q229 E275 | Q229-T277 PolarHBondContact NE2-O 3.19Å; Q229-T277 VanDerWaalsContact NE2-O 3.09Å; E275-T277 PolarHBondContact O-N 3.27Å |
| 278 | D | 76 | Confident | 87.1 | Confident | 122 Ų | 122 | 48.6 Ų | 48.6 | 65% | 0.652 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0.2 | -178.3 | 67.5 | -0.6 | 0 | 0 | 0 | 114.4 | A276 S280 | A276-D278 WeakPolarHBondContact CB-OD1 3.38Å; A276-D278 PolarHBondContact O-N 3.36Å; D278-S280 VanDerWaalsContact C-N 3.32Å; D278-S280 VanDerWaalsContact OD1-CB 3.28Å; D278-S280 WeakPolarHBondContact OD1-CB 3.5Å; D278-S280 PolarHBondContact OD1-N 3.29Å; D278-S280 PolarHBondContact OD1-OG 3.36Å |
| 279 | G | 71.1 | Confident | 86.7 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 81.2 | 9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q229 A276 | Q229-G279 VanDerWaalsContact NE2-CA 3.29Å; A276-G279 PolarHBondContact O-N 3.21Å |
| 280 | S | 78.2 | Confident | 86.4 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 43% | 0.434 | 28% | 0.277 | S | S | . | . | trans | -67.3 | 157 | 168.4 | 61 | 0 | 0 | 0 | 0 | 111.9 | A276 D278 P282 | A276-S280 VanDerWaalsContact CB-O 3.28Å; A276-S280 WeakPolarHBondContact CB-O 3.37Å; A276-S280 VanDerWaalsContact CB-OG 3.3Å; A276-S280 WeakPolarHBondContact CB-OG 3.29Å; D278-S280 VanDerWaalsContact C-N 3.32Å; D278-S280 VanDerWaalsContact OD1-CB 3.28Å; D278-S280 WeakPolarHBondContact OD1-CB 3.5Å; D278-S280 PolarHBondContact OD1-N 3.29Å; D278-S280 PolarHBondContact OD1-OG 3.36Å; S280-P282 WeakPolarHBondContact O-CD 3.35Å | ||
| 281 | D | 81.3 | Confident | 86.2 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | trans | -68.9 | 117.6 | 173.6 | 176.2 | -7.3 | 0 | 0 | 0 | 109 | L283 V284 | D281-L283 PolarHBondContact O-N 3.24Å; D281-L283 VanDerWaalsContact O-N 3.14Å; D281-L283 WeakPolarHBondContact OD1-CB 3.33Å; D281-L283 PolarHBondContact OD1-N 2.79Å; D281-V284 HydrophobicContact CB-CG2 3.77Å; D281-V284 PolarHBondContact O-N 2.88Å; D281-V284 VanDerWaalsContact O-N 3.13Å | ||
| 282 | P | 81.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.4 | -173.9 | 30.6 | -37.8 | 0 | 0 | 0 | 112.4 | P273 E274 S280 | P273-P282 HydrophobicContact CB-CB 4.09Å; P273-P282 HydrophobicContact CG-CB 3.83Å; P273-P282 HydrophobicContact CG-CG 4.27Å; E274-P282 WeakPolarHBondContact O-CB 3.42Å; S280-P282 WeakPolarHBondContact O-CD 3.35Å |
| 283 | L | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -77.2 | -24.2 | 177.6 | -60.3 | 175.5 | 0 | 0 | 0 | 113 | P273 D281 K285 L286 E287 P397 L399 R415 | P273-L283 HydrophobicContact CG-CD2 3.72Å; D281-L283 PolarHBondContact O-N 3.24Å; D281-L283 VanDerWaalsContact O-N 3.14Å; D281-L283 WeakPolarHBondContact OD1-CB 3.33Å; D281-L283 PolarHBondContact OD1-N 2.79Å; L283-K285 PolarHBondContact O-N 3.35Å; L283-L286 HydrophobicContact CD2-CD2 4.4Å; L283-L286 WeakPolarHBondContact O-CB 3.48Å; L283-L286 PolarHBondContact O-N 2.66Å; L283-L286 VanDerWaalsContact O-N 3.07Å; L283-E287 HydrophobicContact CB-CG 4.3Å; L283-E287 WeakPolarHBondContact O-CB 3.37Å; L283-E287 VanDerWaalsContact O-CG 3.28Å; L283-E287 WeakPolarHBondContact O-CG 3.28Å; L283-E287 PolarHBondContact O-N 2.81Å; L283-P397 HydrophobicContact CD1-CB 3.55Å; L283-P397 HydrophobicContact CG-CB 4.02Å; L283-L399 HydrophobicContact CD1-CD2 4.24Å; L283-L399 HydrophobicContact CD2-CD2 3.99Å; L283-L399 HydrophobicContact CD2-CG 3.84Å; L283-R415 HydrophobicContact CD1-CB 4.11Å |
| 284 | V | 86.3 | Confident | 85.6 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | -172.4 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | D281 R288 | D281-V284 HydrophobicContact CB-CG2 3.77Å; D281-V284 PolarHBondContact O-N 2.88Å; D281-V284 VanDerWaalsContact O-N 3.13Å; V284-R288 VanDerWaalsContact O-CB 3.32Å; V284-R288 WeakPolarHBondContact O-CB 3.37Å; V284-R288 PolarHBondContact O-N 3.2Å |
| 285 | K | 87.2 | Confident | 85.8 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.7 | -177.5 | -175.7 | 169.9 | -166.4 | 0 | 110.5 | D251 Y252 L283 E289 | D251-K285 PolarHBondContact O-NZ 2.83Å; Y252-K285 HydrophobicContact CE1-CG 4.44Å; L283-K285 PolarHBondContact O-N 3.35Å; K285-E289 WeakPolarHBondContact O-CB 3.4Å; K285-E289 PolarHBondContact O-N 2.92Å |
| 286 | L | 91.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -53.7 | -179.4 | 179 | 57.6 | 0 | 0 | 0 | 111.1 | L254 L271 P273 L283 R288 E289 L290 W298 L399 | L254-L286 HydrophobicContact CD1-CD2 4.03Å; L254-L286 HydrophobicContact CD2-CD1 3.86Å; L271-L286 HydrophobicContact CB-CD2 4.29Å; P273-L286 HydrophobicContact CG-CD2 4.4Å; L283-L286 HydrophobicContact CD2-CD2 4.4Å; L283-L286 WeakPolarHBondContact O-CB 3.48Å; L283-L286 PolarHBondContact O-N 2.66Å; L283-L286 VanDerWaalsContact O-N 3.07Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 2.83Å; L286-E289 PolarHBondContact O-N 2.88Å; L286-L290 HydrophobicContact CD1-CD1 4.49Å; L286-L290 WeakPolarHBondContact O-CB 3.42Å; L286-L290 PolarHBondContact O-N 3.11Å; L286-W298 HydrophobicContact CD1-CH2 4.12Å; L286-W298 HydrophobicContact CD1-CZ3 3.76Å; L286-L399 HydrophobicContact CD2-CB 4.49Å; L286-L399 HydrophobicContact CD2-CD1 3.67Å; L286-L399 HydrophobicContact CD2-CG 3.9Å; L286-L399 HydrophobicContact CG-CD1 3.8Å |
| 287 | E | 90.9 | Very high | 87.3 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | -177 | -67.1 | 177.7 | 177.8 | 0 | 0 | 113.3 | Y57 R58 L283 E289 L399 R415 | Y57-E287 HydrophobicContact CE1-CB 4.44Å; Y57-E287 HydrophobicContact CE1-CG 3.89Å; Y57-E287 PolarHBondContact OH-OE1 3.33Å; R58-E287 PolarHBondContact NE-O 3.02Å; L283-E287 HydrophobicContact CB-CG 4.3Å; L283-E287 WeakPolarHBondContact O-CB 3.37Å; L283-E287 VanDerWaalsContact O-CG 3.28Å; L283-E287 WeakPolarHBondContact O-CG 3.28Å; L283-E287 PolarHBondContact O-N 2.81Å; E287-E289 VanDerWaalsContact C-N 3.34Å; E287-L399 HydrophobicContact CG-CD1 4.04Å; E287-L399 HydrophobicContact CG-CD2 4.13Å; E287-R415 WeakPolarHBondContact OE1-CD 3.42Å; E287-R415 IonicContact OE1-CZ 3.02Å; E287-R415 IonicContact OE1-NE 3.96Å; E287-R415 IonicContact OE1-NH1 2.83Å; E287-R415 PolarHBondContact OE1-NH1 3.16Å; E287-R415 IonicContact OE2-CZ 2.73Å; E287-R415 IonicContact OE2-NH1 3.7Å; E287-R415 PolarHBondContact OE2-NH1 3.21Å |
| 288 | R | 88.6 | Confident | 88.3 | Confident | 159 Ų | 159 | 56 Ų | 56 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.9 | -37.1 | 178.2 | -175.5 | -178.8 | 66.5 | -153.2 | -2.3 | 112 | V284 L286 | V284-R288 VanDerWaalsContact O-CB 3.32Å; V284-R288 WeakPolarHBondContact O-CB 3.37Å; V284-R288 PolarHBondContact O-N 3.2Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 2.83Å |
| 289 | E | 90.1 | Very high | 89.2 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -106.8 | -5.1 | -170 | -66.1 | 176.5 | -152.9 | 0 | 0 | 114 | Y252 K285 L286 E287 T291 K294 | Y252-E289 HydrophobicContact CE1-CB 4.01Å; Y252-E289 VanDerWaalsContact CE1-OE2 3.24Å; Y252-E289 WeakPolarHBondContact CE1-OE2 3.46Å; Y252-E289 PolarHBondContact OH-OE2 3.02Å; K285-E289 WeakPolarHBondContact O-CB 3.4Å; K285-E289 PolarHBondContact O-N 2.92Å; L286-E289 PolarHBondContact O-N 2.88Å; E287-E289 VanDerWaalsContact C-N 3.34Å; E289-T291 PolarHBondContact O-N 3.11Å; E289-K294 VanDerWaalsContact O-CD 3.3Å; E289-K294 WeakPolarHBondContact O-CD 3.35Å; E289-K294 PolarHBondContact O-NZ 3.28Å |
| 290 | L | 92.5 | Very high | 90.3 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | trans | -65 | 116.8 | 176.4 | -176.4 | 66.2 | 0 | 0 | 0 | 109.5 | L54 R58 L286 L295 W298 L399 | L54-L290 HydrophobicContact CD2-CD2 3.76Å; L54-L290 HydrophobicContact CD2-CG 4.09Å; R58-L290 PolarHBondContact NH2-O 2.94Å; L286-L290 HydrophobicContact CD1-CD1 4.49Å; L286-L290 WeakPolarHBondContact O-CB 3.42Å; L286-L290 PolarHBondContact O-N 3.11Å; L290-L295 HydrophobicContact CD1-CB 4.43Å; L290-L295 HydrophobicContact CD1-CD1 4.13Å; L290-W298 HydrophobicContact CD1-CE3 4.23Å; L290-W298 HydrophobicContact CD1-CH2 4.49Å; L290-W298 HydrophobicContact CD1-CZ3 3.65Å; L290-L399 HydrophobicContact CD2-CD1 4.16Å | ||
| 291 | T | 93.1 | Very high | 91 | Very high | 45 Ų | 45 | 52 Ų | 52 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | trans | -116.6 | 168.5 | 173.5 | 75 | 0 | 0 | 0 | 0 | 110.2 | E289 E293 K294 L295 | E289-T291 PolarHBondContact O-N 3.11Å; T291-E293 VanDerWaalsContact C-N 3.29Å; T291-E293 WeakPolarHBondContact CB-OE2 3.44Å; T291-E293 PolarHBondContact O-N 3.42Å; T291-E293 PolarHBondContact OG1-N 2.63Å; T291-E293 PolarHBondContact OG1-OE2 3.33Å; T291-K294 PolarHBondContact O-N 3.09Å; T291-K294 PolarHBondContact OG1-N 2.88Å; T291-L295 WeakPolarHBondContact O-CB 3.41Å; T291-L295 PolarHBondContact O-N 3Å | ||
| 292 | M | 91.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 56 Ų | 56 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.7 | 178.9 | 177.8 | 169.3 | 0 | 0 | 110.8 | S47 T50 L54 K294 L295 D296 | S47-M292 WeakPolarHBondContact OG-CE 3.49Å; T50-M292 HydrophobicContact CG2-CB 4.22Å; T50-M292 HydrophobicContact CG2-CG 3.82Å; T50-M292 HydrophobicContact CG2-SD 4.27Å; L54-M292 HydrophobicContact CD1-CB 4.29Å; M292-K294 PolarHBondContact O-N 3.47Å; M292-L295 PolarHBondContact O-N 3.47Å; M292-D296 WeakPolarHBondContact CE-OD2 3.46Å; M292-D296 WeakPolarHBondContact O-CB 3.43Å; M292-D296 PolarHBondContact O-N 3.34Å |
| 293 | E | 93.1 | Very high | 92.2 | Very high | 129 Ų | 129 | 58.6 Ų | 58.6 | 60% | 0.603 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | -179.6 | -57.2 | 74.1 | -161.7 | 0 | 0 | 111.2 | T291 D296 E297 | T291-E293 VanDerWaalsContact C-N 3.29Å; T291-E293 WeakPolarHBondContact CB-OE2 3.44Å; T291-E293 PolarHBondContact O-N 3.42Å; T291-E293 PolarHBondContact OG1-N 2.63Å; T291-E293 PolarHBondContact OG1-OE2 3.33Å; E293-D296 PolarHBondContact O-N 3Å; E293-E297 VanDerWaalsContact O-CB 3.22Å; E293-E297 WeakPolarHBondContact O-CB 3.45Å; E293-E297 PolarHBondContact O-N 2.91Å |
| 294 | K | 94.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -44 | 175.1 | -76.3 | 175 | -179.7 | 175.3 | 0 | 111.8 | Y252 E289 T291 M292 D296 E297 W298 | Y252-K294 PolarHBondContact OH-NZ 2.94Å; E289-K294 VanDerWaalsContact O-CD 3.3Å; E289-K294 WeakPolarHBondContact O-CD 3.35Å; E289-K294 PolarHBondContact O-NZ 3.28Å; T291-K294 PolarHBondContact O-N 3.09Å; T291-K294 PolarHBondContact OG1-N 2.88Å; M292-K294 PolarHBondContact O-N 3.47Å; K294-D296 VanDerWaalsContact C-N 3.32Å; K294-D296 PolarHBondContact O-N 2.78Å; K294-E297 PolarHBondContact O-N 3.11Å; K294-W298 HydrophobicContact CB-CD2 4.06Å; K294-W298 HydrophobicContact CB-CE3 4.25Å; K294-W298 HydrophobicContact CB-CH2 3.96Å; K294-W298 HydrophobicContact CB-CZ2 3.72Å; K294-W298 HydrophobicContact CB-CZ3 4.2Å; K294-W298 HydrophobicContact CD-CH2 3.84Å; K294-W298 HydrophobicContact CD-CZ2 3.62Å; K294-W298 HydrophobicContact CG-CH2 4.3Å; K294-W298 HydrophobicContact CG-CZ2 3.78Å; K294-W298 WeakPolarHBondContact O-CB 3.48Å; K294-W298 VanDerWaalsContact O-CD2 3.24Å; K294-W298 PolarHBondContact O-N 3.38Å |
| 295 | L | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.1 | -168.8 | 71.1 | 0 | 0 | 0 | 110.9 | T50 L271 L290 T291 M292 T299 F401 I410 | T50-L295 HydrophobicContact CG2-CD2 4.31Å; L271-L295 HydrophobicContact CD2-CD1 4.36Å; L290-L295 HydrophobicContact CD1-CB 4.43Å; L290-L295 HydrophobicContact CD1-CD1 4.13Å; T291-L295 WeakPolarHBondContact O-CB 3.41Å; T291-L295 PolarHBondContact O-N 3Å; M292-L295 PolarHBondContact O-N 3.47Å; L295-T299 HydrophobicContact CD1-CG2 4.49Å; L295-T299 VanDerWaalsContact O-CB 3.3Å; L295-T299 WeakPolarHBondContact O-CB 3.32Å; L295-T299 VanDerWaalsContact O-CG2 3.25Å; L295-T299 WeakPolarHBondContact O-CG2 3.37Å; L295-T299 PolarHBondContact O-N 2.91Å; L295-T299 PolarHBondContact O-OG1 3.2Å; L295-F401 HydrophobicContact CD1-CD1 4.11Å; L295-F401 HydrophobicContact CD1-CE1 3.46Å; L295-F401 VanDerWaalsContact CD1-CE1 3.46Å; L295-F401 HydrophobicContact CD1-CZ 3.98Å; L295-F401 HydrophobicContact CG-CE1 4.27Å; L295-F401 HydrophobicContact CG-CZ 4.33Å; L295-I410 HydrophobicContact CD2-CD1 3.49Å; L295-I410 VanDerWaalsContact CD2-CD1 3.49Å |
| 296 | D | 92.5 | Very high | 93.3 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 177.7 | -74.8 | -21.8 | 0 | 0 | 0 | 112 | M292 E293 K294 S300 | M292-D296 WeakPolarHBondContact CE-OD2 3.46Å; M292-D296 WeakPolarHBondContact O-CB 3.43Å; M292-D296 PolarHBondContact O-N 3.34Å; E293-D296 PolarHBondContact O-N 3Å; K294-D296 VanDerWaalsContact C-N 3.32Å; K294-D296 PolarHBondContact O-N 2.78Å; D296-S300 WeakPolarHBondContact O-CB 3.3Å; D296-S300 PolarHBondContact O-N 3.22Å |
| 297 | E | 95.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 59.4 Ų | 59.4 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -54.6 | 176.4 | -179 | -173 | 172.8 | 0 | 0 | 111 | E293 K294 T299 S300 N303 | E293-E297 VanDerWaalsContact O-CB 3.22Å; E293-E297 WeakPolarHBondContact O-CB 3.45Å; E293-E297 PolarHBondContact O-N 2.91Å; K294-E297 PolarHBondContact O-N 3.11Å; E297-T299 PolarHBondContact O-N 2.9Å; E297-S300 PolarHBondContact O-N 3.2Å; E297-N303 PolarHBondContact O-ND2 3.12Å |
| 298 | W | 96.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.7 | -23.5 | -173.3 | -60.8 | -16.5 | 0 | 0 | 0 | 113.3 | N247 V249 Y252 L254 I256 L271 L286 L290 K294 | N247-W298 PolarHBondContact ND2-O 2.99Å; V249-W298 HydrophobicContact CG1-CZ2 4.24Å; V249-W298 HydrophobicContact CG2-CB 4.31Å; V249-W298 HydrophobicContact CG2-CD2 4.17Å; V249-W298 HydrophobicContact CG2-CG 3.84Å; Y252-W298 HydrophobicContact CD1-CH2 4.45Å; Y252-W298 AromaticContact CD2-CH2 3.94Å; Y252-W298 HydrophobicContact CD2-CH2 3.94Å; Y252-W298 AromaticContact CD2-CZ2 3.6Å; Y252-W298 HydrophobicContact CD2-CZ2 3.6Å; Y252-W298 HydrophobicContact CE2-CH2 4.03Å; Y252-W298 AromaticContact CE2-CZ2 3.61Å; Y252-W298 HydrophobicContact CE2-CZ2 3.61Å; Y252-W298 HydrophobicContact CG-CH2 4.18Å; Y252-W298 HydrophobicContact CG-CZ2 4.28Å; L254-W298 HydrophobicContact CD2-CE3 3.85Å; L254-W298 HydrophobicContact CD2-CH2 4.28Å; L254-W298 HydrophobicContact CD2-CZ3 3.71Å; I256-W298 HydrophobicContact CD1-CB 3.54Å; I256-W298 HydrophobicContact CD1-CD2 4.43Å; I256-W298 HydrophobicContact CD1-CE3 4.26Å; I256-W298 HydrophobicContact CD1-CG 4.2Å; L271-W298 HydrophobicContact CD2-CE3 4.4Å; L286-W298 HydrophobicContact CD1-CH2 4.12Å; L286-W298 HydrophobicContact CD1-CZ3 3.76Å; L290-W298 HydrophobicContact CD1-CE3 4.23Å; L290-W298 HydrophobicContact CD1-CH2 4.49Å; L290-W298 HydrophobicContact CD1-CZ3 3.65Å; K294-W298 HydrophobicContact CB-CD2 4.06Å; K294-W298 HydrophobicContact CB-CE3 4.25Å; K294-W298 HydrophobicContact CB-CH2 3.96Å; K294-W298 HydrophobicContact CB-CZ2 3.72Å; K294-W298 HydrophobicContact CB-CZ3 4.2Å; K294-W298 HydrophobicContact CD-CH2 3.84Å; K294-W298 HydrophobicContact CD-CZ2 3.62Å; K294-W298 HydrophobicContact CG-CH2 4.3Å; K294-W298 HydrophobicContact CG-CZ2 3.78Å; K294-W298 WeakPolarHBondContact O-CB 3.48Å; K294-W298 VanDerWaalsContact O-CD2 3.24Å; K294-W298 PolarHBondContact O-N 3.38Å |
| 299 | T | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 13.3 | -176.1 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | I256 F269 L295 E297 F401 R403 | I256-T299 HydrophobicContact CG2-CG2 4.36Å; F269-T299 HydrophobicContact CD1-CG2 3.83Å; F269-T299 HydrophobicContact CE1-CG2 4.25Å; F269-T299 HydrophobicContact CG-CG2 4.43Å; L295-T299 HydrophobicContact CD1-CG2 4.49Å; L295-T299 VanDerWaalsContact O-CB 3.3Å; L295-T299 WeakPolarHBondContact O-CB 3.32Å; L295-T299 VanDerWaalsContact O-CG2 3.25Å; L295-T299 WeakPolarHBondContact O-CG2 3.37Å; L295-T299 PolarHBondContact O-N 2.91Å; L295-T299 PolarHBondContact O-OG1 3.2Å; E297-T299 PolarHBondContact O-N 2.9Å; T299-F401 HydrophobicContact CG2-CE1 4.17Å; T299-F401 HydrophobicContact CG2-CZ 3.82Å; T299-R403 PolarHBondContact O-NH2 2.88Å; T299-R403 VanDerWaalsContact O-NH2 3.11Å; T299-R403 PolarHBondContact OG1-NH1 2.91Å; T299-R403 PolarHBondContact OG1-NH2 2.88Å |
| 300 | S | 94.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | trans | -72.3 | 133.8 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | D296 E297 D302 N303 M304 | D296-S300 WeakPolarHBondContact O-CB 3.3Å; D296-S300 PolarHBondContact O-N 3.22Å; E297-S300 PolarHBondContact O-N 3.2Å; S300-D302 PolarHBondContact O-N 2.78Å; S300-D302 VanDerWaalsContact O-N 3.13Å; S300-N303 PolarHBondContact O-N 2.67Å; S300-M304 WeakPolarHBondContact O-CG 3.36Å; S300-M304 PolarHBondContact O-N 2.78Å | ||
| 301 | R | 91.7 | Very high | 93.9 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56 | -32.5 | 179.1 | -179.8 | 67.3 | 70.7 | -120.1 | 1.1 | 112.1 | E258 N303 M304 | E258-R301 VanDerWaalsContact CD-NH2 3.32Å; E258-R301 IonicContact OE1-NH2 3.86Å; E258-R301 PolarHBondContact OE1-NH2 3.44Å; E258-R301 IonicContact OE2-CZ 3.36Å; E258-R301 VanDerWaalsContact OE2-CZ 3.24Å; E258-R301 IonicContact OE2-NH1 3.57Å; E258-R301 PolarHBondContact OE2-NH1 2.88Å; E258-R301 IonicContact OE2-NH2 2.78Å; E258-R301 PolarHBondContact OE2-NH2 2.89Å; R301-N303 PolarHBondContact O-N 3.07Å; R301-M304 PolarHBondContact O-N 3.45Å |
| 302 | D | 93.4 | Very high | 94.2 | Very high | 149 Ų | 149 | 51.2 Ų | 51.2 | 80% | 0.797 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -69.7 | -21.6 | 179.5 | -61.6 | -30 | 0 | 0 | 0 | 113.2 | S300 | S300-D302 PolarHBondContact O-N 2.78Å; S300-D302 VanDerWaalsContact O-N 3.13Å |
| 303 | N | 95.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 51 Ų | 51 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -101.1 | 0.8 | 179.9 | -67.2 | -23.8 | 0 | 0 | 0 | 112.7 | N247 E297 S300 R301 | N247-N303 VanDerWaalsContact CG-O 3.28Å; N247-N303 PolarHBondContact ND2-O 3.37Å; N247-N303 PolarHBondContact OD1-O 3.46Å; E297-N303 PolarHBondContact O-ND2 3.12Å; S300-N303 PolarHBondContact O-N 2.67Å; R301-N303 PolarHBondContact O-N 3.07Å |
| 304 | M | 96.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 5% | 0.054 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -107.8 | 133.1 | 179.5 | -59.3 | -173.6 | 88.3 | 0 | 0 | 110.8 | P245 F246 N247 I256 E258 F269 S300 R301 T306 | P245-M304 VanDerWaalsContact C-CE 3.46Å; P245-M304 HydrophobicContact CB-CB 4.02Å; P245-M304 HydrophobicContact CB-CE 3.88Å; P245-M304 HydrophobicContact CB-SD 3.77Å; P245-M304 WeakPolarHBondContact O-CE 3.19Å; F246-M304 CarbonylContact O-C 3.57Å; F246-M304 VanDerWaalsContact O-CA 3.31Å; F246-M304 WeakPolarHBondContact O-CA 3.4Å; N247-M304 HydrophobicContact CB-CE 4.46Å; N247-M304 HydrophobicContact CB-CG 4.13Å; I256-M304 HydrophobicContact CG2-CE 4.34Å; E258-M304 HydrophobicContact CB-CE 4.07Å; E258-M304 HydrophobicContact CB-SD 4.45Å; F269-M304 HydrophobicContact CE1-SD 4.3Å; S300-M304 WeakPolarHBondContact O-CG 3.36Å; S300-M304 PolarHBondContact O-N 2.78Å; R301-M304 PolarHBondContact O-N 3.45Å; M304-T306 PolarHBondContact O-N 2.87Å |
| 305 | D | 95.6 | Very high | 94.9 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -68 | 127.4 | 166.9 | -174.4 | 0.8 | 0 | 0 | 0 | 109.6 | P245 F246 G307 T308 | P245-D305 CarbonylContact C-O 3.45Å; P245-D305 VanDerWaalsContact CA-O 3.29Å; P245-D305 WeakPolarHBondContact CA-O 3.42Å; F246-D305 PolarHBondContact N-O 3.36Å; F246-D305 PolarHBondContact O-N 2.82Å; D305-G307 PolarHBondContact OD1-N 3.2Å; D305-T308 PolarHBondContact OD1-N 2.71Å; D305-T308 WeakPolarHBondContact OD2-CB 3.25Å; D305-T308 PolarHBondContact OD2-OG1 3.16Å |
| 306 | T | 94.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 47% | 0.466 | 25% | 0.245 | S | C | . | . | trans | -118.7 | -3.3 | 177.8 | 55 | 0 | 0 | 0 | 0 | 112.5 | P245 M304 | P245-T306 HydrophobicContact CB-CG2 4.09Å; P245-T306 HydrophobicContact CG-CG2 4.21Å; M304-T306 PolarHBondContact O-N 2.87Å | ||
| 307 | G | 89.1 | Confident | 95 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -89.7 | -30.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K243 D305 | K243-G307 VanDerWaalsContact CE-O 3.23Å; K243-G307 WeakPolarHBondContact CE-O 3.28Å; K243-G307 PolarHBondContact NZ-O 3.06Å; D305-G307 PolarHBondContact OD1-N 3.2Å |
| 308 | T | 89.3 | Confident | 94.7 | Very high | 22 Ų | 22 | 43 Ų | 43 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -85 | 143.6 | -174.2 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | D305 R388 E390 | D305-T308 PolarHBondContact OD1-N 2.71Å; D305-T308 WeakPolarHBondContact OD2-CB 3.25Å; D305-T308 PolarHBondContact OD2-OG1 3.16Å; T308-R388 VanDerWaalsContact CG2-O 3.28Å; T308-R388 WeakPolarHBondContact CG2-O 3.41Å; T308-E390 HydrophobicContact CG2-CG 3.83Å |
| 309 | E | 94.1 | Very high | 94.4 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 133.8 | 171.3 | -69.1 | -176.3 | 147.8 | 0 | 0 | 109.9 | M241 K243 E390 | M241-E309 HydrophobicContact CE-CB 3.87Å; M241-E309 WeakPolarHBondContact CE-OE2 3.4Å; M241-E309 HydrophobicContact CG-CB 4.42Å; K243-E309 HydrophobicContact CG-CG 3.95Å; E309-E390 PolarHBondContact O-N 3.3Å; E309-E390 VanDerWaalsContact O-N 3.09Å |
| 310 | V | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.3 | -179.2 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | M241 K242 F244 F246 V312 E390 F392 | M241-V310 WeakPolarHBondContact CA-O 3.43Å; K242-V310 PolarHBondContact N-O 3.03Å; K242-V310 PolarHBondContact O-N 3.14Å; F244-V310 HydrophobicContact CB-CB 4.5Å; F244-V310 HydrophobicContact CB-CG2 4.36Å; F244-V310 HydrophobicContact CD2-CB 4.36Å; F246-V310 HydrophobicContact CB-CG2 3.86Å; F246-V310 HydrophobicContact CD2-CG1 4.29Å; F246-V310 HydrophobicContact CG-CG2 4.31Å; V310-V312 HydrophobicContact CB-CG2 4.33Å; V310-V312 HydrophobicContact CG1-CG2 3.83Å; V310-V312 PolarHBondContact O-N 3.04Å; V310-E390 CarbonylContact C-O 3.52Å; V310-E390 WeakPolarHBondContact CA-O 3.38Å; V310-E390 HydrophobicContact CG2-CB 4.49Å; V310-F392 HydrophobicContact CG1-CB 3.95Å |
| 311 | I | 97.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 106.3 | 170.6 | -62.1 | 168.4 | 0 | 0 | 0 | 107 | M241 E389 E390 F392 | M241-I311 HydrophobicContact CB-CG1 4.22Å; M241-I311 HydrophobicContact CE-CG1 4.32Å; M241-I311 HydrophobicContact CG-CG1 3.83Å; M241-I311 HydrophobicContact SD-CG1 4.12Å; I311-E389 HydrophobicContact CD1-CG 4.41Å; I311-E389 WeakPolarHBondContact CD1-OE2 3.29Å; I311-E390 PolarHBondContact N-O 2.89Å; I311-F392 PolarHBondContact O-N 3.32Å |
| 312 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.3 | -177.1 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | F215 H239 Q240 F244 V257 L259 V310 L314 F392 | F215-V312 HydrophobicContact CE1-CG1 4.3Å; F215-V312 HydrophobicContact CZ-CG1 4.29Å; H239-V312 WeakPolarHBondContact CA-O 3.28Å; Q240-V312 PolarHBondContact N-O 3.03Å; Q240-V312 VanDerWaalsContact N-O 3.09Å; Q240-V312 PolarHBondContact O-N 3Å; F244-V312 HydrophobicContact CD2-CG2 3.7Å; F244-V312 HydrophobicContact CE2-CG2 3.89Å; V257-V312 HydrophobicContact CG2-CG2 4.24Å; L259-V312 HydrophobicContact CD2-CG1 4.42Å; L259-V312 HydrophobicContact CD2-CG2 4.44Å; V310-V312 HydrophobicContact CB-CG2 4.33Å; V310-V312 HydrophobicContact CG1-CG2 3.83Å; V310-V312 PolarHBondContact O-N 3.04Å; V312-L314 HydrophobicContact CG1-CB 4.26Å; V312-F392 CarbonylContact C-O 3.53Å; V312-F392 WeakPolarHBondContact CA-O 3.41Å; V312-F392 HydrophobicContact CG1-CD1 4.31Å |
| 313 | H | 98.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 37 Ų | 37 | 17% | 0.167 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.5 | 161.7 | -61.5 | 83.2 | 0 | 0 | 0 | 108.8 | M237 M238 H239 F392 T393 A394 | M237-H313 HydrophobicContact CG-CB 3.71Å; M237-H313 VanDerWaalsContact SD-C 3.58Å; M237-H313 HydrophobicContact SD-CB 3.81Å; M238-H313 VanDerWaalsContact O-CA 3.29Å; M238-H313 WeakPolarHBondContact O-CA 3.2Å; H239-H313 AromaticContact CD2-CD2 3.86Å; H239-H313 AromaticContact CD2-CE1 3.6Å; H239-H313 AromaticContact CD2-NE2 3.33Å; H239-H313 PolarHBondContact CD2-NE2 3.31Å; H239-H313 VanDerWaalsContact CD2-NE2 3.33Å; H313-F392 PolarHBondContact N-O 2.86Å; H313-T393 HydrophobicContact CB-CG2 3.97Å; H313-A394 PolarHBondContact O-N 3.48Å |
| 314 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.9 | -179.3 | -172.9 | 74.4 | 0 | 0 | 0 | 109.7 | W211 F215 M237 M238 L259 V270 V312 K316 V367 A394 F398 | W211-L314 HydrophobicContact CZ2-CD2 4.48Å; F215-L314 HydrophobicContact CZ-CB 4.26Å; F215-L314 HydrophobicContact CZ-CD2 4.42Å; M237-L314 PolarHBondContact SD-N 2.94Å; M237-L314 VanDerWaalsContact SD-N 3.42Å; M238-L314 WeakPolarHBondContact CB-O 3.38Å; M238-L314 HydrophobicContact CE-CB 4.24Å; M238-L314 HydrophobicContact CE-CD2 3.97Å; M238-L314 HydrophobicContact CE-CG 4.27Å; M238-L314 PolarHBondContact N-O 3.07Å; M238-L314 PolarHBondContact O-N 3.43Å; L259-L314 HydrophobicContact CD1-CD2 3.78Å; V270-L314 HydrophobicContact CG1-CD1 4.44Å; V270-L314 HydrophobicContact CG2-CD1 4.05Å; V312-L314 HydrophobicContact CG1-CB 4.26Å; L314-K316 PolarHBondContact O-N 2.68Å; L314-V367 HydrophobicContact CD2-CG1 4.11Å; L314-A394 HydrophobicContact CD1-CB 4.17Å; L314-F398 HydrophobicContact CD1-CZ 4.43Å |
| 315 | P | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 139.9 | 178.3 | 23.2 | -30.2 | 0 | 0 | 0 | 110.1 | F225 V235 M237 F317 A394 F398 F416 | F225-P315 HydrophobicContact CE2-CG 4.46Å; V235-P315 HydrophobicContact CB-CB 4.35Å; V235-P315 HydrophobicContact CG2-CB 4.21Å; M237-P315 HydrophobicContact SD-CB 4.39Å; P315-F317 HydrophobicContact CB-CD1 4.43Å; P315-F317 HydrophobicContact CG-CD1 4.15Å; P315-F317 WeakPolarHBondContact O-CD1 3.17Å; P315-A394 VanDerWaalsContact CD-O 3.32Å; P315-A394 WeakPolarHBondContact CD-O 3.34Å; P315-F398 HydrophobicContact CG-CE1 3.7Å; P315-F398 HydrophobicContact CG-CZ 3.92Å; P315-F416 HydrophobicContact CB-CE1 4.34Å; P315-F416 HydrophobicContact CG-CD1 4.26Å; P315-F416 HydrophobicContact CG-CE1 3.95Å |
| 316 | K | 95.2 | Very high | 94.1 | Very high | 85 Ų | 85 | 34.8 Ų | 34.8 | 37% | 0.37 | 18% | 0.18 | S | C | . | . | trans | -73.8 | 123.3 | 161.6 | 178 | 173.7 | -173.6 | 158.7 | 0 | 107.8 | Q236 M238 L314 V367 N368 E369 | Q236-K316 HydrophobicContact CB-CB 4.16Å; Q236-K316 HydrophobicContact CB-CD 4.49Å; Q236-K316 WeakPolarHBondContact O-CB 3.48Å; Q236-K316 PolarHBondContact O-N 2.97Å; M238-K316 HydrophobicContact CG-CB 4.04Å; M238-K316 HydrophobicContact SD-CB 4.18Å; L314-K316 PolarHBondContact O-N 2.68Å; K316-V367 WeakPolarHBondContact CG-O 3.47Å; K316-N368 HydrophobicContact CD-CB 4.43Å; K316-N368 HydrophobicContact CG-CB 4.34Å; K316-E369 WeakPolarHBondContact CE-OE2 3.22Å; K316-E369 IonicContact NZ-OE1 2.74Å; K316-E369 PolarHBondContact NZ-OE1 2.91Å; K316-E369 IonicContact NZ-OE2 2.72Å; K316-E369 PolarHBondContact NZ-OE2 2.62Å | ||
| 317 | F | 92.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 159.6 | -177.7 | 64.3 | -98.3 | 0 | 0 | 0 | 112.9 | P315 L319 V365 V367 F398 F400 F416 | P315-F317 HydrophobicContact CB-CD1 4.43Å; P315-F317 HydrophobicContact CG-CD1 4.15Å; P315-F317 WeakPolarHBondContact O-CD1 3.17Å; F317-L319 HydrophobicContact CD2-CD1 4.01Å; F317-L319 HydrophobicContact CD2-CG 3.77Å; F317-L319 HydrophobicContact CE2-CD1 3.77Å; F317-L319 HydrophobicContact CE2-CG 4.01Å; F317-V365 HydrophobicContact CE2-CG1 4.3Å; F317-V367 HydrophobicContact CD1-CB 4.17Å; F317-V367 HydrophobicContact CD1-CG1 4.4Å; F317-V367 HydrophobicContact CD2-CB 4.31Å; F317-V367 HydrophobicContact CD2-CG2 4.34Å; F317-V367 HydrophobicContact CE1-CB 3.94Å; F317-V367 HydrophobicContact CE1-CG1 4.06Å; F317-V367 HydrophobicContact CE1-CG2 4Å; F317-V367 HydrophobicContact CE2-CB 4.12Å; F317-V367 HydrophobicContact CE2-CG2 3.69Å; F317-V367 HydrophobicContact CG-CB 4.34Å; F317-V367 HydrophobicContact CZ-CB 3.93Å; F317-V367 HydrophobicContact CZ-CG1 4.42Å; F317-V367 HydrophobicContact CZ-CG2 3.5Å; F317-V367 PolarHBondContact N-O 3.36Å; F317-V367 VanDerWaalsContact N-O 3.08Å; F317-V367 PolarHBondContact O-N 3.32Å; F317-F398 HydrophobicContact CE1-CE2 4.4Å; F317-F398 AromaticContact CE1-CZ 3.95Å; F317-F398 HydrophobicContact CE1-CZ 3.95Å; F317-F400 HydrophobicContact CE2-CE1 4.48Å; F317-F400 HydrophobicContact CE2-CZ 4.21Å; F317-F400 HydrophobicContact CZ-CE1 4.38Å; F317-F400 HydrophobicContact CZ-CZ 4.32Å; F317-F416 HydrophobicContact CB-CD2 4.19Å; F317-F416 HydrophobicContact CB-CE2 3.5Å; F317-F416 VanDerWaalsContact CB-CE2 3.5Å; F317-F416 HydrophobicContact CB-CZ 3.93Å; F317-F416 HydrophobicContact CD1-CD2 4.23Å; F317-F416 HydrophobicContact CD1-CE2 4.22Å; F317-F416 HydrophobicContact CD2-CD2 4.12Å; F317-F416 HydrophobicContact CD2-CE2 4.25Å; F317-F416 AromaticContact CG-CD2 3.93Å; F317-F416 HydrophobicContact CG-CD2 3.93Å; F317-F416 AromaticContact CG-CE2 3.75Å; F317-F416 HydrophobicContact CG-CE2 3.75Å; F317-F416 HydrophobicContact CG-CZ 4.37Å |
| 318 | K | 90.4 | Very high | 94.5 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 38% | 0.378 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.1 | 168.4 | -177.8 | -162.8 | 174.7 | -152.1 | 0 | 107.1 | E320 F364 V365 | K318-E320 IonicContact NZ-OE2 2.68Å; K318-E320 PolarHBondContact NZ-OE2 3.12Å; K318-F364 HydrophobicContact CD-CE2 4.18Å; K318-F364 HydrophobicContact CD-CZ 4.11Å; K318-F364 HydrophobicContact CG-CE2 4.35Å; K318-F364 HydrophobicContact CG-CZ 4.08Å; K318-V365 WeakPolarHBondContact CA-O 3.33Å |
| 319 | L | 89.7 | Confident | 94.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.5 | 172.8 | -72.9 | 175.9 | 0 | 0 | 0 | 109.6 | N67 F69 F317 F364 V365 F400 F416 | N67-L319 HydrophobicContact CB-CD2 3.76Å; N67-L319 WeakPolarHBondContact ND2-CD2 3.29Å; F69-L319 HydrophobicContact CB-CB 4.47Å; F69-L319 HydrophobicContact CD1-CB 4.44Å; F69-L319 HydrophobicContact CG-CB 4.36Å; F317-L319 HydrophobicContact CD2-CD1 4.01Å; F317-L319 HydrophobicContact CD2-CG 3.77Å; F317-L319 HydrophobicContact CE2-CD1 3.77Å; F317-L319 HydrophobicContact CE2-CG 4.01Å; L319-F364 WeakPolarHBondContact O-CA 3.39Å; L319-V365 HydrophobicContact CB-CG1 3.85Å; L319-V365 PolarHBondContact N-O 3.16Å; L319-V365 PolarHBondContact O-N 3.37Å; L319-F400 HydrophobicContact CD1-CE1 3.72Å; L319-F400 HydrophobicContact CD1-CZ 3.72Å; L319-F416 HydrophobicContact CD1-CD2 4.1Å; L319-F416 HydrophobicContact CD2-CD2 4.08Å; L319-F416 HydrophobicContact CD2-CE2 4.43Å; L319-F416 HydrophobicContact CG-CD2 4.24Å |
| 320 | E | 90.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 105.6 | 179.5 | -176.2 | 179.4 | 162.5 | 0 | 0 | 107.4 | K318 K362 A363 F364 | K318-E320 IonicContact NZ-OE2 2.68Å; K318-E320 PolarHBondContact NZ-OE2 3.12Å; E320-K362 WeakPolarHBondContact OE1-CE 3.22Å; E320-K362 IonicContact OE1-NZ 3.86Å; E320-K362 PolarHBondContact OE1-NZ 3.34Å; E320-A363 WeakPolarHBondContact CA-O 3.49Å; E320-F364 HydrophobicContact CB-CD2 4.12Å; E320-F364 HydrophobicContact CG-CD2 4.02Å |
| 321 | E | 92.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.4 | -176.4 | -65.8 | -64.1 | 148.2 | 0 | 0 | 110 | F69 Y323 K362 A363 | F69-E321 HydrophobicContact CB-CB 4.13Å; F69-E321 HydrophobicContact CB-CG 3.76Å; E321-Y323 HydrophobicContact CB-CE2 3.59Å; E321-Y323 WeakPolarHBondContact CB-OH 3.33Å; E321-K362 WeakPolarHBondContact O-CA 3.35Å; E321-A363 PolarHBondContact N-O 3.13Å; E321-A363 VanDerWaalsContact N-O 3.15Å; E321-A363 PolarHBondContact O-N 2.88Å |
| 322 | D | 92.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 32% | 0.316 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.5 | 179.7 | 78.7 | -104.5 | 0 | 0 | 0 | 111.7 | K189 H361 K362 | K189-D322 WeakPolarHBondContact CE-OD2 3.41Å; K189-D322 IonicContact NZ-OD1 3.82Å; K189-D322 PolarHBondContact NZ-OD1 2.73Å; K189-D322 IonicContact NZ-OD2 2.59Å; K189-D322 PolarHBondContact NZ-OD2 3.29Å; D322-H361 CarbonylContact C-O 3.56Å; D322-H361 WeakPolarHBondContact CA-O 3.47Å; D322-K362 HydrophobicContact CB-CB 4.16Å; D322-K362 HydrophobicContact CB-CD 3.81Å; D322-K362 HydrophobicContact CB-CG 3.92Å |
| 323 | Y | 93.3 | Very high | 95.1 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 138.5 | -174.4 | -54.7 | -84.1 | 0 | 0 | 0 | 111.9 | L60 V68 F69 I70 E321 L325 H361 | L60-Y323 HydrophobicContact CD1-CD1 4.28Å; L60-Y323 HydrophobicContact CD1-CE1 4.21Å; L60-Y323 HydrophobicContact CD2-CD1 3.75Å; L60-Y323 HydrophobicContact CD2-CE1 4.13Å; L60-Y323 HydrophobicContact CD2-CG 4.42Å; V68-Y323 WeakPolarHBondContact CA-OH 3.34Å; F69-Y323 PolarHBondContact N-OH 2.96Å; F69-Y323 VanDerWaalsContact N-OH 3.12Å; F69-Y323 VanDerWaalsContact O-CE2 3.32Å; F69-Y323 WeakPolarHBondContact O-CE2 3.34Å; I70-Y323 HydrophobicContact CG2-CD2 4.08Å; I70-Y323 HydrophobicContact CG2-CE2 3.64Å; E321-Y323 HydrophobicContact CB-CE2 3.59Å; E321-Y323 WeakPolarHBondContact CB-OH 3.33Å; Y323-L325 HydrophobicContact CG-CD2 4.35Å; Y323-H361 AromaticContact CD2-CD2 3.93Å; Y323-H361 PolarHBondContact N-O 2.84Å; Y323-H361 PolarHBondContact O-N 2.83Å |
| 324 | E | 94.6 | Very high | 95 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 40% | 0.402 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 106.9 | 157.4 | -175 | 178.4 | 128.9 | 0 | 0 | 108.7 | N326 K358 V359 | E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 HydrophobicContact CG-CB 4.47Å; E324-N326 PolarHBondContact O-N 2.95Å; E324-K358 HydrophobicContact CG-CD 4.39Å; E324-K358 IonicContact OE1-NZ 3.71Å; E324-K358 PolarHBondContact OE1-NZ 2.74Å; E324-K358 IonicContact OE2-NZ 3.46Å; E324-K358 PolarHBondContact OE2-NZ 3.19Å; E324-V359 WeakPolarHBondContact CA-O 3.46Å |
| 325 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.5 | -168.6 | -62.8 | -179.1 | 0 | 0 | 0 | 114.4 | L56 L60 I75 Y323 K327 P328 L329 V359 H361 | L56-L325 HydrophobicContact CD1-CD2 4.46Å; L60-L325 HydrophobicContact CD2-CD2 4.42Å; I75-L325 HydrophobicContact CD1-CD1 3.89Å; I75-L325 HydrophobicContact CG1-CD1 3.95Å; I75-L325 HydrophobicContact CG2-CD1 3.77Å; Y323-L325 HydrophobicContact CG-CD2 4.35Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 3.44Å; L325-P328 WeakPolarHBondContact O-CD 3.32Å; L325-L329 HydrophobicContact CB-CD1 3.75Å; L325-L329 HydrophobicContact CB-CG 4.14Å; L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.49Å; L325-L329 WeakPolarHBondContact O-CD1 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.49Å; L325-L329 PolarHBondContact O-N 3.49Å; L325-V359 HydrophobicContact CB-CB 4.05Å; L325-V359 HydrophobicContact CB-CG1 3.83Å; L325-V359 HydrophobicContact CD1-CG1 4Å; L325-V359 HydrophobicContact CG-CG1 4.3Å; L325-V359 PolarHBondContact N-O 2.83Å; L325-H361 HydrophobicContact CD1-CB 3.66Å; L325-H361 HydrophobicContact CG-CB 4.01Å |
| 326 | N | 95.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.5 | -50.8 | -179.5 | -67.4 | 62 | 0 | 0 | 0 | 112.5 | E324 T330 F338 S357 V359 | E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 HydrophobicContact CG-CB 4.47Å; E324-N326 PolarHBondContact O-N 2.95Å; N326-T330 WeakPolarHBondContact O-CB 3.16Å; N326-T330 PolarHBondContact O-N 3.38Å; N326-T330 PolarHBondContact O-OG1 3.44Å; N326-F338 HydrophobicContact CB-CD1 4.34Å; N326-F338 HydrophobicContact CB-CE1 4.3Å; N326-F338 WeakPolarHBondContact ND2-CD1 3.23Å; N326-S357 PolarHBondContact ND2-O 3.08Å; N326-V359 PolarHBondContact OD1-N 3.43Å |
| 327 | K | 95.9 | Very high | 95.2 | Very high | 162 Ų | 162 | 43.5 Ų | 43.5 | 70% | 0.704 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.6 | -51.8 | -178.4 | -73.1 | -179.5 | -176.4 | 176.9 | 0 | 112.3 | L325 L329 T330 Q331 | L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 3.44Å; K327-L329 VanDerWaalsContact C-N 3.34Å; K327-L329 PolarHBondContact O-N 2.87Å; K327-T330 WeakPolarHBondContact O-CB 3.49Å; K327-T330 PolarHBondContact O-N 3.3Å; K327-Q331 WeakPolarHBondContact O-CG 3.45Å; K327-Q331 PolarHBondContact O-N 3.45Å |
| 328 | P | 96.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.5 | -46.8 | 174.3 | -28.3 | 33.5 | 0 | 0 | 0 | 113.5 | L56 T59 L60 L325 T330 Q331 L332 | L56-P328 HydrophobicContact CD1-CB 3.91Å; T59-P328 HydrophobicContact CG2-CB 3.93Å; L60-P328 HydrophobicContact CD2-CB 4.14Å; L60-P328 HydrophobicContact CD2-CG 3.61Å; L325-P328 WeakPolarHBondContact O-CD 3.32Å; P328-T330 VanDerWaalsContact C-N 3.34Å; P328-T330 PolarHBondContact O-N 3.47Å; P328-Q331 WeakPolarHBondContact O-CB 3.24Å; P328-Q331 PolarHBondContact O-N 2.88Å; P328-L332 WeakPolarHBondContact O-CG 3.33Å; P328-L332 PolarHBondContact O-N 2.78Å; P328-L332 VanDerWaalsContact O-N 3.09Å |
| 329 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | -179.8 | -67.1 | 169.9 | 0 | 0 | 0 | 112 | F52 L79 V97 L325 K327 Q331 L332 G333 M334 F338 V359 | F52-L329 HydrophobicContact CE2-CD2 3.91Å; F52-L329 HydrophobicContact CZ-CD2 4.05Å; L79-L329 HydrophobicContact CD1-CD1 3.9Å; L79-L329 HydrophobicContact CD1-CD2 3.93Å; L79-L329 HydrophobicContact CD2-CD1 4.08Å; V97-L329 HydrophobicContact CG1-CD2 4.39Å; L325-L329 HydrophobicContact CB-CD1 3.75Å; L325-L329 HydrophobicContact CB-CG 4.14Å; L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.49Å; L325-L329 WeakPolarHBondContact O-CD1 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.49Å; L325-L329 PolarHBondContact O-N 3.49Å; K327-L329 VanDerWaalsContact C-N 3.34Å; K327-L329 PolarHBondContact O-N 2.87Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-Q331 PolarHBondContact O-N 2.6Å; L329-L332 PolarHBondContact O-N 2.86Å; L329-G333 PolarHBondContact O-N 2.81Å; L329-M334 HydrophobicContact CB-CB 4.31Å; L329-M334 HydrophobicContact CB-SD 4.16Å; L329-M334 HydrophobicContact CD1-SD 4.24Å; L329-M334 HydrophobicContact CD2-CE 4.38Å; L329-M334 HydrophobicContact CD2-SD 4.45Å; L329-M334 WeakPolarHBondContact O-CB 3.4Å; L329-M334 PolarHBondContact O-N 2.83Å; L329-F338 HydrophobicContact CB-CE2 3.76Å; L329-F338 HydrophobicContact CB-CZ 3.79Å; L329-F338 HydrophobicContact CD1-CZ 3.86Å; L329-F338 HydrophobicContact CG-CZ 4.49Å; L329-V359 HydrophobicContact CD1-CG1 4.43Å; L329-V359 HydrophobicContact CD1-CG2 4.48Å |
| 330 | T | 97.6 | Very high | 96 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | N326 K327 P328 L332 G333 M334 K335 F338 | N326-T330 WeakPolarHBondContact O-CB 3.16Å; N326-T330 PolarHBondContact O-N 3.38Å; N326-T330 PolarHBondContact O-OG1 3.44Å; K327-T330 WeakPolarHBondContact O-CB 3.49Å; K327-T330 PolarHBondContact O-N 3.3Å; P328-T330 VanDerWaalsContact C-N 3.34Å; P328-T330 PolarHBondContact O-N 3.47Å; T330-L332 VanDerWaalsContact C-N 3.32Å; T330-L332 PolarHBondContact O-N 3.23Å; T330-G333 PolarHBondContact O-N 3.19Å; T330-G333 VanDerWaalsContact O-N 3.09Å; T330-M334 WeakPolarHBondContact CA-O 3.38Å; T330-K335 HydrophobicContact CG2-CG 4.07Å; T330-F338 WeakPolarHBondContact OG1-CD2 3.39Å |
| 331 | Q | 97 | Very high | 96.1 | Very high | 121 Ų | 121 | 45.9 Ų | 45.9 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.1 | -37 | 176.8 | -72.7 | 172.4 | -19.5 | 0 | 0 | 112 | T59 K327 P328 L329 G333 | T59-Q331 HydrophobicContact CG2-CB 4.24Å; K327-Q331 WeakPolarHBondContact O-CG 3.45Å; K327-Q331 PolarHBondContact O-N 3.45Å; P328-Q331 WeakPolarHBondContact O-CB 3.24Å; P328-Q331 PolarHBondContact O-N 2.88Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-Q331 PolarHBondContact O-N 2.6Å; Q331-G333 PolarHBondContact O-N 3.31Å |
| 332 | L | 96.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.5 | -14.9 | 173.8 | -66.6 | 176.4 | 0 | 0 | 0 | 113.5 | F52 E55 L56 T59 V97 P328 L329 T330 | F52-L332 HydrophobicContact CE2-CD1 4.38Å; E55-L332 HydrophobicContact CB-CD2 3.93Å; L56-L332 HydrophobicContact CB-CD1 4.38Å; L56-L332 HydrophobicContact CD1-CD1 4.34Å; T59-L332 VanDerWaalsContact OG1-CD2 3.31Å; T59-L332 WeakPolarHBondContact OG1-CD2 3.29Å; V97-L332 HydrophobicContact CG1-CB 3.83Å; V97-L332 HydrophobicContact CG1-CD1 4.08Å; V97-L332 HydrophobicContact CG2-CB 4.05Å; V97-L332 VanDerWaalsContact CG2-O 3.32Å; V97-L332 WeakPolarHBondContact CG2-O 3.3Å; P328-L332 WeakPolarHBondContact O-CG 3.33Å; P328-L332 PolarHBondContact O-N 2.78Å; P328-L332 VanDerWaalsContact O-N 3.09Å; L329-L332 PolarHBondContact O-N 2.86Å; T330-L332 VanDerWaalsContact C-N 3.32Å; T330-L332 PolarHBondContact O-N 3.23Å |
| 333 | G | 97.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.5 | 4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q93 L329 T330 Q331 K335 | Q93-G333 PolarHBondContact OE1-O 2.98Å; L329-G333 PolarHBondContact O-N 2.81Å; T330-G333 PolarHBondContact O-N 3.19Å; T330-G333 VanDerWaalsContact O-N 3.09Å; Q331-G333 PolarHBondContact O-N 3.31Å; G333-K335 PolarHBondContact O-N 2.93Å |
| 334 | M | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -83.8 | 85.7 | 173.2 | -174.3 | -173.6 | -69.2 | 0 | 0 | 108.3 | L79 M94 V97 L98 L329 T330 V337 F338 | L79-M334 HydrophobicContact CD1-CE 4.31Å; L79-M334 HydrophobicContact CD2-SD 4.33Å; M94-M334 HydrophobicContact CB-CE 4.15Å; M94-M334 HydrophobicContact CE-CE 4.37Å; M94-M334 HydrophobicContact CE-SD 4.48Å; M94-M334 HydrophobicContact CG-CE 3.92Å; M94-M334 HydrophobicContact CG-CG 3.9Å; M94-M334 HydrophobicContact CG-SD 4.06Å; V97-M334 HydrophobicContact CB-CB 4.36Å; V97-M334 HydrophobicContact CB-CE 4.09Å; V97-M334 HydrophobicContact CG1-CB 4.48Å; V97-M334 HydrophobicContact CG1-CE 3.98Å; V97-M334 HydrophobicContact CG2-CB 3.97Å; L98-M334 HydrophobicContact CD1-CE 4.34Å; L98-M334 HydrophobicContact CG-CE 4.15Å; L329-M334 HydrophobicContact CB-CB 4.31Å; L329-M334 HydrophobicContact CB-SD 4.16Å; L329-M334 HydrophobicContact CD1-SD 4.24Å; L329-M334 HydrophobicContact CD2-CE 4.38Å; L329-M334 HydrophobicContact CD2-SD 4.45Å; L329-M334 WeakPolarHBondContact O-CB 3.4Å; L329-M334 PolarHBondContact O-N 2.83Å; T330-M334 WeakPolarHBondContact CA-O 3.38Å; M334-V337 HydrophobicContact CG-CG1 3.6Å; M334-V337 HydrophobicContact SD-CG1 3.98Å; M334-F338 HydrophobicContact CB-CE2 4.36Å; M334-F338 HydrophobicContact CG-CE2 4.08Å; M334-F338 WeakPolarHBondContact O-CD2 3.49Å; M334-F338 WeakPolarHBondContact O-CE2 3.22Å; M334-F338 HydrophobicContact SD-CE2 4.23Å; M334-F338 HydrophobicContact SD-CZ 4.12Å | ||
| 335 | K | 97.9 | Very high | 97 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 45% | 0.452 | 25% | 0.252 | S | S | . | . | trans | -104.7 | -47.1 | -169.4 | -59.7 | -174.7 | -179.4 | 177.2 | 0 | 112.6 | T330 G333 V337 F338 | T330-K335 HydrophobicContact CG2-CG 4.07Å; G333-K335 PolarHBondContact O-N 2.93Å; K335-V337 VanDerWaalsContact C-N 3.32Å; K335-V337 PolarHBondContact O-N 3.11Å; K335-F338 PolarHBondContact O-N 3.4Å | ||
| 336 | D | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -69.2 | -34.1 | -166.6 | -66 | -3.5 | 0 | 0 | 0 | 111.7 | T90 Q93 F338 D339 R342 A343 | T90-D336 WeakPolarHBondContact OG1-CB 3.4Å; Q93-D336 PolarHBondContact NE2-OD1 3.49Å; Q93-D336 PolarHBondContact NE2-OD2 3.38Å; D336-F338 PolarHBondContact O-N 3.03Å; D336-D339 PolarHBondContact O-N 2.63Å; D336-R342 HydrophobicContact CB-CB 4.09Å; D336-R342 IonicContact OD1-CZ 3.88Å; D336-R342 VanDerWaalsContact OD1-CZ 3.3Å; D336-R342 IonicContact OD1-NE 2.67Å; D336-R342 IonicContact OD1-NH1 2.79Å; D336-R342 PolarHBondContact OD1-NH1 3.36Å; D336-R342 IonicContact OD1-NH2 2.59Å; D336-A343 WeakPolarHBondContact O-CA 3.16Å; D336-A343 VanDerWaalsContact O-CB 3.22Å; D336-A343 WeakPolarHBondContact O-CB 3.32Å; D336-A343 PolarHBondContact O-N 2.83Å |
| 337 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -56.9 | -26.8 | 177.9 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | V82 T90 M94 M334 K335 L345 L356 | V82-V337 HydrophobicContact CG1-CG2 3.87Å; T90-V337 HydrophobicContact CG2-CB 3.78Å; T90-V337 HydrophobicContact CG2-CG2 3.96Å; M94-V337 HydrophobicContact SD-CB 4.41Å; M94-V337 HydrophobicContact SD-CG2 3.98Å; M334-V337 HydrophobicContact CG-CG1 3.6Å; M334-V337 HydrophobicContact SD-CG1 3.98Å; K335-V337 VanDerWaalsContact C-N 3.32Å; K335-V337 PolarHBondContact O-N 3.11Å; V337-L345 HydrophobicContact CG2-CD1 4.48Å; V337-L345 HydrophobicContact CG2-CD2 4.16Å; V337-L356 HydrophobicContact CG2-CB 3.89Å; V337-L356 HydrophobicContact CG2-CD2 4.24Å; V337-L356 WeakPolarHBondContact O-CB 3.48Å; V337-L356 PolarHBondContact O-N 2.98Å |
| 338 | F | 98 | Very high | 97 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -93.6 | -0.5 | -178.6 | -57.3 | -61.3 | 0 | 0 | 0 | 113.4 | N326 L329 T330 M334 K335 D336 L356 V359 | N326-F338 HydrophobicContact CB-CD1 4.34Å; N326-F338 HydrophobicContact CB-CE1 4.3Å; N326-F338 WeakPolarHBondContact ND2-CD1 3.23Å; L329-F338 HydrophobicContact CB-CE2 3.76Å; L329-F338 HydrophobicContact CB-CZ 3.79Å; L329-F338 HydrophobicContact CD1-CZ 3.86Å; L329-F338 HydrophobicContact CG-CZ 4.49Å; T330-F338 WeakPolarHBondContact OG1-CD2 3.39Å; M334-F338 HydrophobicContact CB-CE2 4.36Å; M334-F338 HydrophobicContact CG-CE2 4.08Å; M334-F338 WeakPolarHBondContact O-CD2 3.49Å; M334-F338 WeakPolarHBondContact O-CE2 3.22Å; M334-F338 HydrophobicContact SD-CE2 4.23Å; M334-F338 HydrophobicContact SD-CZ 4.12Å; K335-F338 PolarHBondContact O-N 3.4Å; D336-F338 PolarHBondContact O-N 3.03Å; F338-L356 HydrophobicContact CD1-CB 4.24Å; F338-L356 HydrophobicContact CD1-CD2 4.47Å; F338-L356 HydrophobicContact CD1-CG 4.36Å; F338-L356 WeakPolarHBondContact CD1-O 3.33Å; F338-L356 HydrophobicContact CE1-CB 4.38Å; F338-L356 HydrophobicContact CE1-CD2 3.81Å; F338-L356 HydrophobicContact CE1-CG 4.07Å; F338-V359 HydrophobicContact CE1-CG2 3.81Å; F338-V359 HydrophobicContact CZ-CG2 4.37Å |
| 339 | D | 96.6 | Very high | 96.9 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | trans | -114.9 | 116.1 | -170.9 | -175.1 | -53.4 | 0 | 0 | 0 | 110.8 | D336 G341 R342 A343 | D336-D339 PolarHBondContact O-N 2.63Å; D339-G341 PolarHBondContact O-N 3.12Å; D339-G341 VanDerWaalsContact O-N 3.09Å; D339-G341 WeakPolarHBondContact OD1-CA 3.25Å; D339-G341 PolarHBondContact OD1-N 3Å; D339-R342 HydrophobicContact CB-CB 4.12Å; D339-R342 VanDerWaalsContact CG-NE 3.34Å; D339-R342 PolarHBondContact O-N 3Å; D339-R342 VanDerWaalsContact O-N 3.1Å; D339-R342 PolarHBondContact OD1-N 2.9Å; D339-R342 VanDerWaalsContact OD1-N 3.16Å; D339-R342 IonicContact OD1-NE 3.96Å; D339-R342 IonicContact OD2-CZ 3.31Å; D339-R342 VanDerWaalsContact OD2-CZ 3.28Å; D339-R342 IonicContact OD2-NE 2.94Å; D339-R342 PolarHBondContact OD2-NE 3.47Å; D339-R342 IonicContact OD2-NH2 2.68Å; D339-R342 PolarHBondContact OD2-NH2 3.33Å; D339-A343 WeakPolarHBondContact O-CB 3.31Å; D339-A343 PolarHBondContact O-N 3.17Å | ||
| 340 | G | 93.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | F355 | G340-F355 VanDerWaalsContact CA-CD1 3.43Š|
| 341 | G | 94.8 | Very high | 96 | Very high | 73 Ų | 73 | 47 Ų | 47 | 75% | 0.753 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -13.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D339 | D339-G341 PolarHBondContact O-N 3.12Å; D339-G341 VanDerWaalsContact O-N 3.09Å; D339-G341 WeakPolarHBondContact OD1-CA 3.25Å; D339-G341 PolarHBondContact OD1-N 3Å |
| 342 | R | 97 | Very high | 95.4 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -21.9 | -175.7 | -62.2 | -174.2 | -73 | 136.5 | 10.9 | 114 | D336 D339 D344 | D336-R342 HydrophobicContact CB-CB 4.09Å; D336-R342 IonicContact OD1-CZ 3.88Å; D336-R342 VanDerWaalsContact OD1-CZ 3.3Å; D336-R342 IonicContact OD1-NE 2.67Å; D336-R342 IonicContact OD1-NH1 2.79Å; D336-R342 PolarHBondContact OD1-NH1 3.36Å; D336-R342 IonicContact OD1-NH2 2.59Å; D339-R342 HydrophobicContact CB-CB 4.12Å; D339-R342 VanDerWaalsContact CG-NE 3.34Å; D339-R342 PolarHBondContact O-N 3Å; D339-R342 VanDerWaalsContact O-N 3.1Å; D339-R342 PolarHBondContact OD1-N 2.9Å; D339-R342 VanDerWaalsContact OD1-N 3.16Å; D339-R342 IonicContact OD1-NE 3.96Å; D339-R342 IonicContact OD2-CZ 3.31Å; D339-R342 VanDerWaalsContact OD2-CZ 3.28Å; D339-R342 IonicContact OD2-NE 2.94Å; D339-R342 PolarHBondContact OD2-NE 3.47Å; D339-R342 IonicContact OD2-NH2 2.68Å; D339-R342 PolarHBondContact OD2-NH2 3.33Å; R342-D344 PolarHBondContact O-N 3.4Å |
| 343 | A | 97.9 | Very high | 95 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | trans | -60.8 | 124.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D336 D339 L354 F355 | D336-A343 WeakPolarHBondContact O-CA 3.16Å; D336-A343 VanDerWaalsContact O-CB 3.22Å; D336-A343 WeakPolarHBondContact O-CB 3.32Å; D336-A343 PolarHBondContact O-N 2.83Å; D339-A343 WeakPolarHBondContact O-CB 3.31Å; D339-A343 PolarHBondContact O-N 3.17Å; A343-L354 WeakPolarHBondContact CB-O 3.3Å; A343-F355 HydrophobicContact CB-CB 3.59Å | ||
| 344 | D | 97.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 42 Ų | 42 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | trans | -109.1 | 86.4 | 169.2 | -171 | -4 | 0 | 0 | 0 | 109.2 | A86 K87 T90 R342 S346 | A86-D344 CarbonylContact C-O 3.56Å; A86-D344 WeakPolarHBondContact CA-O 3.39Å; K87-D344 WeakPolarHBondContact CB-OD2 3.49Å; K87-D344 PolarHBondContact N-O 2.93Å; T90-D344 PolarHBondContact OG1-N 2.94Å; R342-D344 PolarHBondContact O-N 3.4Å; D344-S346 VanDerWaalsContact OD1-CB 3.22Å; D344-S346 WeakPolarHBondContact OD1-CB 3.45Å; D344-S346 PolarHBondContact OD1-N 2.9Å; D344-S346 PolarHBondContact OD1-OG 3.46Å | ||
| 345 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -105 | 28 | 170.7 | -61.2 | -178 | 0 | 0 | 0 | 111.1 | V82 G85 A86 T90 L199 V337 G347 M348 L354 | V82-L345 HydrophobicContact CG1-CD2 4.08Å; G85-L345 CarbonylContact O-C 3.49Å; G85-L345 WeakPolarHBondContact O-CA 3.37Å; A86-L345 HydrophobicContact CB-CD2 3.95Å; T90-L345 HydrophobicContact CG2-CD2 4.23Å; L199-L345 HydrophobicContact CD2-CD1 3.93Å; V337-L345 HydrophobicContact CG2-CD1 4.48Å; V337-L345 HydrophobicContact CG2-CD2 4.16Å; L345-G347 PolarHBondContact O-N 3.45Å; L345-G347 VanDerWaalsContact O-N 3.15Å; L345-M348 HydrophobicContact CB-CG 4.3Å; L345-M348 HydrophobicContact CB-SD 4.15Å; L345-M348 HydrophobicContact CD1-CE 4.38Å; L345-M348 HydrophobicContact CD1-SD 4.15Å; L345-M348 HydrophobicContact CD2-CE 4.07Å; L345-M348 WeakPolarHBondContact O-CB 3.21Å; L345-M348 PolarHBondContact O-N 3.4Å; L345-L354 HydrophobicContact CB-CB 4.2Å; L345-L354 HydrophobicContact CB-CD2 4.2Å; L345-L354 HydrophobicContact CB-CG 4.43Å; L345-L354 HydrophobicContact CD1-CD2 4.29Å; L345-L354 HydrophobicContact CD1-CG 4.17Å | ||
| 346 | S | 96.8 | Very high | 94.8 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -21.8 | -179.6 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | D344 M348 N349 G350 | D344-S346 VanDerWaalsContact OD1-CB 3.22Å; D344-S346 WeakPolarHBondContact OD1-CB 3.45Å; D344-S346 PolarHBondContact OD1-N 2.9Å; D344-S346 PolarHBondContact OD1-OG 3.46Å; S346-M348 PolarHBondContact O-N 2.96Å; S346-N349 PolarHBondContact O-N 3.32Å; S346-G350 VanDerWaalsContact O-CA 3.3Å; S346-G350 WeakPolarHBondContact O-CA 3.44Å; S346-G350 PolarHBondContact O-N 3.45Å |
| 347 | G | 96.4 | Very high | 94.7 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -12.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G85 L345 | G85-G347 WeakPolarHBondContact O-CA 3.49Å; G85-G347 PolarHBondContact O-N 3.22Å; L345-G347 PolarHBondContact O-N 3.45Å; L345-G347 VanDerWaalsContact O-N 3.15Å |
| 348 | M | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -90.8 | -36.9 | 174.8 | -58.5 | -171.8 | 173.8 | 0 | 0 | 113 | V82 F140 L141 F144 L199 L345 S346 L354 | V82-M348 HydrophobicContact CB-CE 4.16Å; V82-M348 HydrophobicContact CG1-CE 3.9Å; V82-M348 WeakPolarHBondContact O-CE 3.29Å; F140-M348 CarbonylContact C-O 3.56Å; F140-M348 WeakPolarHBondContact CA-O 3.39Å; F140-M348 HydrophobicContact CD1-CB 4.42Å; L141-M348 PolarHBondContact N-O 2.9Å; F144-M348 HydrophobicContact CD1-CB 4.25Å; F144-M348 HydrophobicContact CD1-CG 4.36Å; F144-M348 HydrophobicContact CD2-CG 4.04Å; F144-M348 HydrophobicContact CE1-CB 4.29Å; F144-M348 HydrophobicContact CE1-CG 4.05Å; F144-M348 HydrophobicContact CE1-SD 4.32Å; F144-M348 HydrophobicContact CE2-CE 3.97Å; F144-M348 HydrophobicContact CE2-CG 3.72Å; F144-M348 HydrophobicContact CE2-SD 4.38Å; F144-M348 HydrophobicContact CG-CB 4.36Å; F144-M348 HydrophobicContact CG-CG 4.36Å; F144-M348 HydrophobicContact CZ-CB 4.45Å; F144-M348 HydrophobicContact CZ-CE 3.75Å; F144-M348 HydrophobicContact CZ-CG 3.73Å; F144-M348 HydrophobicContact CZ-SD 3.91Å; L199-M348 HydrophobicContact CD2-CE 4.32Å; L199-M348 HydrophobicContact CD2-SD 3.89Å; L345-M348 HydrophobicContact CB-CG 4.3Å; L345-M348 HydrophobicContact CB-SD 4.15Å; L345-M348 HydrophobicContact CD1-CE 4.38Å; L345-M348 HydrophobicContact CD1-SD 4.15Å; L345-M348 HydrophobicContact CD2-CE 4.07Å; L345-M348 WeakPolarHBondContact O-CB 3.21Å; L345-M348 PolarHBondContact O-N 3.4Å; S346-M348 PolarHBondContact O-N 2.96Å; M348-L354 HydrophobicContact CB-CD2 3.95Å; M348-L354 HydrophobicContact CG-CD2 4.37Å; M348-L354 HydrophobicContact SD-CD2 3.65Å |
| 349 | N | 93.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -130 | -8.9 | -168 | 73.3 | -12.2 | 0 | 0 | 0 | 115.7 | N139 S346 E351 G352 | N139-N349 WeakPolarHBondContact O-CB 3.42Å; S346-N349 PolarHBondContact O-N 3.32Å; N349-E351 PolarHBondContact O-N 3.16Å; N349-E351 VanDerWaalsContact O-N 3.13Å; N349-E351 PolarHBondContact OD1-N 3.48Å; N349-G352 PolarHBondContact ND2-O 3.19Å; N349-G352 PolarHBondContact OD1-N 3.03Å |
| 350 | G | 92.9 | Very high | 94.5 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 54% | 0.536 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 74.7 | -13.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S346 | S346-G350 VanDerWaalsContact O-CA 3.3Å; S346-G350 WeakPolarHBondContact O-CA 3.44Å; S346-G350 PolarHBondContact O-N 3.45Å |
| 351 | E | 83.9 | Confident | 94.6 | Very high | 157 Ų | 157 | 35.9 Ų | 35.9 | 73% | 0.734 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -117.4 | -13.8 | -169 | -64.5 | 178.2 | -179.4 | 0 | 0 | 113.7 | N349 | N349-E351 PolarHBondContact O-N 3.16Å; N349-E351 VanDerWaalsContact O-N 3.13Å; N349-E351 PolarHBondContact OD1-N 3.48Å |
| 352 | G | 84.1 | Confident | 94.7 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 24% | 0.237 | 20% | 0.202 | C | C | . | . | trans | 78.5 | -166.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N349 L354 | N349-G352 PolarHBondContact ND2-O 3.19Å; N349-G352 PolarHBondContact OD1-N 3.03Å; G352-L354 PolarHBondContact O-N 3.32Å; G352-L354 VanDerWaalsContact O-N 3.17Å | ||
| 353 | G | 87.9 | Confident | 94.4 | Very high | 62 Ų | 62 | 27.1 Ų | 27.1 | 64% | 0.639 | 18% | 0.179 | S | C | * | . | trans | 71.6 | 5.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 354 | L | 94.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -96.7 | 135.8 | 172.8 | -170.9 | 70.9 | 0 | 0 | 0 | 109.5 | F140 R198 L199 A343 L345 M348 G352 | F140-L354 HydrophobicContact CE1-CD2 3.98Å; R198-L354 HydrophobicContact CB-CD1 4.14Å; L199-L354 HydrophobicContact CB-CD1 4.14Å; L199-L354 HydrophobicContact CB-CG 4.47Å; L199-L354 HydrophobicContact CD2-CD2 4.25Å; L199-L354 HydrophobicContact CD2-CG 4.48Å; A343-L354 WeakPolarHBondContact CB-O 3.3Å; L345-L354 HydrophobicContact CB-CB 4.2Å; L345-L354 HydrophobicContact CB-CD2 4.2Å; L345-L354 HydrophobicContact CB-CG 4.43Å; L345-L354 HydrophobicContact CD1-CD2 4.29Å; L345-L354 HydrophobicContact CD1-CG 4.17Å; M348-L354 HydrophobicContact CB-CD2 3.95Å; M348-L354 HydrophobicContact CG-CD2 4.37Å; M348-L354 HydrophobicContact SD-CD2 3.65Å; G352-L354 PolarHBondContact O-N 3.32Å; G352-L354 VanDerWaalsContact O-N 3.17Å | ||
| 355 | F | 96.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 24.1 Ų | 24.1 | 20% | 0.197 | 16% | 0.161 | C | C | . | . | trans | -140.5 | 152.1 | 173.9 | 65.2 | -81.2 | 0 | 0 | 0 | 109.6 | R198 L199 G340 A343 S357 | R198-F355 HydrophobicContact CB-CD1 4.48Å; R198-F355 HydrophobicContact CB-CE1 4.19Å; R198-F355 HydrophobicContact CG-CD1 4.3Å; R198-F355 HydrophobicContact CG-CE1 3.64Å; R198-F355 HydrophobicContact CG-CZ 4.08Å; L199-F355 WeakPolarHBondContact CB-O 3.29Å; G340-F355 VanDerWaalsContact CA-CD1 3.43Å; A343-F355 HydrophobicContact CB-CB 3.59Å; F355-S357 WeakPolarHBondContact CE2-OG 3.46Å; F355-S357 PolarHBondContact O-N 3.13Å; F355-S357 VanDerWaalsContact O-N 3.09Å | ||
| 356 | L | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 99.9 | 177.7 | -173 | 57.6 | 0 | 0 | 0 | 109 | L79 V82 L199 L201 V337 F338 K358 V359 | L79-L356 HydrophobicContact CD2-CD2 4.45Å; V82-L356 HydrophobicContact CG1-CD2 4.26Å; V82-L356 HydrophobicContact CG2-CD1 4.41Å; V82-L356 HydrophobicContact CG2-CD2 4.2Å; L199-L356 HydrophobicContact CB-CD1 4.48Å; L199-L356 HydrophobicContact CD2-CD1 4.01Å; L199-L356 HydrophobicContact CG-CD1 4.04Å; L201-L356 HydrophobicContact CB-CD1 3.89Å; V337-L356 HydrophobicContact CG2-CB 3.89Å; V337-L356 HydrophobicContact CG2-CD2 4.24Å; V337-L356 WeakPolarHBondContact O-CB 3.48Å; V337-L356 PolarHBondContact O-N 2.98Å; F338-L356 HydrophobicContact CD1-CB 4.24Å; F338-L356 HydrophobicContact CD1-CD2 4.47Å; F338-L356 HydrophobicContact CD1-CG 4.36Å; F338-L356 WeakPolarHBondContact CD1-O 3.33Å; F338-L356 HydrophobicContact CE1-CB 4.38Å; F338-L356 HydrophobicContact CE1-CD2 3.81Å; F338-L356 HydrophobicContact CE1-CG 4.07Å; L356-K358 WeakPolarHBondContact CD1-O 3.46Å; L356-V359 HydrophobicContact CD1-CG2 4.26Å; L356-V359 HydrophobicContact CD2-CG2 3.4Å; L356-V359 HydrophobicContact CG-CG2 3.77Å |
| 357 | S | 96.9 | Very high | 93 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -38.1 | -177.7 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | R198 L199 N326 F355 | R198-S357 PolarHBondContact N-OG 3.06Å; L199-S357 PolarHBondContact N-OG 3.09Å; L199-S357 WeakPolarHBondContact O-CA 3.47Å; L199-S357 WeakPolarHBondContact O-CB 3.18Å; L199-S357 PolarHBondContact O-N 3.2Å; N326-S357 PolarHBondContact ND2-O 3.08Å; F355-S357 WeakPolarHBondContact CE2-OG 3.46Å; F355-S357 PolarHBondContact O-N 3.13Å; F355-S357 VanDerWaalsContact O-N 3.09Å |
| 358 | K | 95.4 | Very high | 92.8 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.1 | -175.4 | -69.9 | -66.6 | 169.6 | 173.9 | 0 | 113 | T192 L199 A200 L201 E324 L356 | T192-K358 HydrophobicContact CG2-CD 4.41Å; T192-K358 WeakPolarHBondContact O-CD 3.38Å; T192-K358 WeakPolarHBondContact O-CE 3.45Å; T192-K358 WeakPolarHBondContact O-CG 3.14Å; L199-K358 PolarHBondContact O-N 3.36Å; A200-K358 WeakPolarHBondContact CA-O 3.38Å; A200-K358 HydrophobicContact CB-CB 4.27Å; L201-K358 PolarHBondContact N-O 3.47Å; E324-K358 HydrophobicContact CG-CD 4.39Å; E324-K358 IonicContact OE1-NZ 3.71Å; E324-K358 PolarHBondContact OE1-NZ 2.74Å; E324-K358 IonicContact OE2-NZ 3.46Å; E324-K358 PolarHBondContact OE2-NZ 3.19Å; L356-K358 WeakPolarHBondContact CD1-O 3.46Å |
| 359 | V | 96.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 104 | 168.1 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | L201 E324 L325 N326 L329 F338 L356 | L201-V359 HydrophobicContact CB-CG2 4.35Å; L201-V359 HydrophobicContact CD2-CG1 4.12Å; L201-V359 WeakPolarHBondContact O-CA 3.4Å; E324-V359 WeakPolarHBondContact CA-O 3.46Å; L325-V359 HydrophobicContact CB-CB 4.05Å; L325-V359 HydrophobicContact CB-CG1 3.83Å; L325-V359 HydrophobicContact CD1-CG1 4Å; L325-V359 HydrophobicContact CG-CG1 4.3Å; L325-V359 PolarHBondContact N-O 2.83Å; N326-V359 PolarHBondContact OD1-N 3.43Å; L329-V359 HydrophobicContact CD1-CG1 4.43Å; L329-V359 HydrophobicContact CD1-CG2 4.48Å; F338-V359 HydrophobicContact CE1-CG2 3.81Å; F338-V359 HydrophobicContact CZ-CG2 4.37Å; L356-V359 HydrophobicContact CD1-CG2 4.26Å; L356-V359 HydrophobicContact CD2-CG2 3.4Å; L356-V359 HydrophobicContact CG-CG2 3.77Å |
| 360 | A | 96.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L187 L188 L201 N203 | L187-A360 HydrophobicContact CD1-CB 4.41Å; L187-A360 HydrophobicContact CD2-CB 4.35Å; L187-A360 HydrophobicContact CG-CB 4.24Å; L188-A360 HydrophobicContact CD2-CB 3.42Å; L188-A360 VanDerWaalsContact CD2-CB 3.42Å; L201-A360 PolarHBondContact O-N 3Å; N203-A360 PolarHBondContact N-O 2.79Å |
| 361 | H | 96.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 136 | 173.8 | 179.7 | 58.5 | 0 | 0 | 0 | 110.5 | S71 I75 N203 D322 Y323 L325 | S71-H361 PolarHBondContact N-NE2 3Å; S71-H361 VanDerWaalsContact N-NE2 3.17Å; I75-H361 HydrophobicContact CG1-CB 4.38Å; N203-H361 CarbonylContact O-C 3.59Å; N203-H361 VanDerWaalsContact O-CA 3.25Å; N203-H361 WeakPolarHBondContact O-CA 3.31Å; N203-H361 PolarHBondContact OD1-CE1 2.86Å; N203-H361 PolarHBondContact OD1-ND1 3.34Å; D322-H361 CarbonylContact C-O 3.56Å; D322-H361 WeakPolarHBondContact CA-O 3.47Å; Y323-H361 AromaticContact CD2-CD2 3.93Å; Y323-H361 PolarHBondContact N-O 2.84Å; Y323-H361 PolarHBondContact O-N 2.83Å; L325-H361 HydrophobicContact CD1-CB 3.66Å; L325-H361 HydrophobicContact CG-CB 4.01Å |
| 362 | K | 95.4 | Very high | 88 | Confident | 17 Ų | 17 | 24.5 Ų | 24.5 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 128.3 | 166.7 | -171.4 | 162.3 | 175.3 | -179.3 | 0 | 110.5 | I184 K185 L187 N203 A204 I205 E320 E321 D322 | I184-K362 HydrophobicContact CG2-CB 4.11Å; I184-K362 HydrophobicContact CG2-CD 3.56Å; I184-K362 HydrophobicContact CG2-CG 3.82Å; K185-K362 PolarHBondContact O-NZ 3.47Å; L187-K362 HydrophobicContact CD1-CB 3.24Å; L187-K362 HydrophobicContact CD1-CD 4.17Å; L187-K362 HydrophobicContact CD1-CG 4.33Å; N203-K362 PolarHBondContact O-N 2.86Å; A204-K362 WeakPolarHBondContact CA-O 3.31Å; I205-K362 PolarHBondContact N-O 3.17Å; I205-K362 VanDerWaalsContact N-O 3.11Å; E320-K362 WeakPolarHBondContact OE1-CE 3.22Å; E320-K362 IonicContact OE1-NZ 3.86Å; E320-K362 PolarHBondContact OE1-NZ 3.34Å; E321-K362 WeakPolarHBondContact O-CA 3.35Å; D322-K362 HydrophobicContact CB-CB 4.16Å; D322-K362 HydrophobicContact CB-CD 3.81Å; D322-K362 HydrophobicContact CB-CG 3.92Å |
| 363 | A | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110 | F69 I205 E320 E321 | F69-A363 HydrophobicContact CD1-CB 3.62Å; F69-A363 HydrophobicContact CE1-CB 3.63Å; I205-A363 HydrophobicContact CG2-CB 3.97Å; E320-A363 WeakPolarHBondContact CA-O 3.49Å; E321-A363 PolarHBondContact N-O 3.13Å; E321-A363 VanDerWaalsContact N-O 3.15Å; E321-A363 PolarHBondContact O-N 2.88Å |
| 364 | F | 89.7 | Confident | 82.7 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.5 | 178.8 | -179 | -70.6 | 0 | 0 | 0 | 110.3 | K183 I184 I205 Y206 K318 L319 E320 E366 | K183-F364 HydrophobicContact CB-CE2 4.4Å; K183-F364 HydrophobicContact CD-CE1 4.37Å; K183-F364 HydrophobicContact CD-CE2 4.48Å; K183-F364 HydrophobicContact CD-CZ 4.02Å; I184-F364 HydrophobicContact CD1-CB 4.18Å; I184-F364 HydrophobicContact CG1-CB 4.11Å; I205-F364 PolarHBondContact O-N 3.37Å; I205-F364 VanDerWaalsContact O-N 3.09Å; Y206-F364 AromaticContact CD2-CD1 3.53Å; Y206-F364 HydrophobicContact CD2-CD1 3.53Å; Y206-F364 HydrophobicContact CD2-CE1 4.01Å; Y206-F364 HydrophobicContact CD2-CG 4.25Å; Y206-F364 AromaticContact CE2-CD1 3.78Å; Y206-F364 HydrophobicContact CE2-CD1 3.78Å; Y206-F364 AromaticContact CE2-CE1 3.78Å; Y206-F364 HydrophobicContact CE2-CE1 3.78Å; K318-F364 HydrophobicContact CD-CE2 4.18Å; K318-F364 HydrophobicContact CD-CZ 4.11Å; K318-F364 HydrophobicContact CG-CE2 4.35Å; K318-F364 HydrophobicContact CG-CZ 4.08Å; L319-F364 WeakPolarHBondContact O-CA 3.39Å; E320-F364 HydrophobicContact CB-CD2 4.12Å; E320-F364 HydrophobicContact CG-CD2 4.02Å; F364-E366 HydrophobicContact CE1-CB 3.83Å; F364-E366 HydrophobicContact CZ-CB 4.5Å |
| 365 | V | 88.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.4 | 167.3 | 65 | 0 | 0 | 0 | 0 | 110.9 | F69 F207 F317 K318 L319 V367 F400 I402 | F69-V365 HydrophobicContact CD1-CG1 4.15Å; F69-V365 HydrophobicContact CD2-CG1 4.26Å; F69-V365 HydrophobicContact CE1-CB 3.76Å; F69-V365 HydrophobicContact CE1-CG1 3.56Å; F69-V365 HydrophobicContact CE2-CB 4.25Å; F69-V365 HydrophobicContact CE2-CG1 3.68Å; F69-V365 HydrophobicContact CG-CG1 4.47Å; F69-V365 HydrophobicContact CZ-CB 3.46Å; F69-V365 VanDerWaalsContact CZ-CB 3.46Å; F69-V365 HydrophobicContact CZ-CG1 3.3Å; F69-V365 HydrophobicContact CZ-CG2 4.43Å; F207-V365 HydrophobicContact CD1-CG2 4.24Å; F317-V365 HydrophobicContact CE2-CG1 4.3Å; K318-V365 WeakPolarHBondContact CA-O 3.33Å; L319-V365 HydrophobicContact CB-CG1 3.85Å; L319-V365 PolarHBondContact N-O 3.16Å; L319-V365 PolarHBondContact O-N 3.37Å; V365-V367 HydrophobicContact CG2-CG2 4.15Å; V365-F400 HydrophobicContact CG1-CZ 4.43Å; V365-I402 HydrophobicContact CG2-CD1 4.34Å |
| 366 | E | 89.6 | Confident | 76.2 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.5 | 173.4 | -178.6 | 176.2 | -178.9 | 0 | 0 | 107.8 | K183 F364 | K183-E366 IonicContact NZ-OE2 3.86Å; F364-E366 HydrophobicContact CE1-CB 3.83Å; F364-E366 HydrophobicContact CZ-CB 4.5Å |
| 367 | V | 91.1 | Very high | 72.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118 | 178 | 171.1 | 0 | 0 | 0 | 0 | 108.2 | W211 M238 M268 L314 K316 F317 V365 | W211-V367 HydrophobicContact CZ2-CG1 4.04Å; M238-V367 HydrophobicContact CE-CG1 3.79Å; M268-V367 HydrophobicContact CE-CG2 3.62Å; L314-V367 HydrophobicContact CD2-CG1 4.11Å; K316-V367 WeakPolarHBondContact CG-O 3.47Å; F317-V367 HydrophobicContact CD1-CB 4.17Å; F317-V367 HydrophobicContact CD1-CG1 4.4Å; F317-V367 HydrophobicContact CD2-CB 4.31Å; F317-V367 HydrophobicContact CD2-CG2 4.34Å; F317-V367 HydrophobicContact CE1-CB 3.94Å; F317-V367 HydrophobicContact CE1-CG1 4.06Å; F317-V367 HydrophobicContact CE1-CG2 4Å; F317-V367 HydrophobicContact CE2-CB 4.12Å; F317-V367 HydrophobicContact CE2-CG2 3.69Å; F317-V367 HydrophobicContact CG-CB 4.34Å; F317-V367 HydrophobicContact CZ-CB 3.93Å; F317-V367 HydrophobicContact CZ-CG1 4.42Å; F317-V367 HydrophobicContact CZ-CG2 3.5Å; F317-V367 PolarHBondContact N-O 3.36Å; F317-V367 VanDerWaalsContact N-O 3.08Å; F317-V367 PolarHBondContact O-N 3.32Å; V365-V367 HydrophobicContact CG2-CG2 4.15Å |
| 368 | N | 91.9 | Very high | 69.9 | Low | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | trans | -145.7 | -168.8 | -179.3 | 67.4 | 31.7 | 0 | 0 | 0 | 110.5 | W211 K316 E370 | W211-N368 PolarHBondContact NE1-O 2.94Å; K316-N368 HydrophobicContact CD-CB 4.43Å; K316-N368 HydrophobicContact CG-CB 4.34Å; N368-E370 PolarHBondContact O-N 3.13Å; N368-E370 WeakPolarHBondContact OD1-CB 3.28Å; N368-E370 WeakPolarHBondContact OD1-CG 3.19Å; N368-E370 PolarHBondContact OD1-N 2.71Å | ||
| 369 | E | 93.1 | Very high | 66.6 | Low | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.051 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -77.3 | -11.6 | -174.1 | -58.7 | 88.5 | 161.3 | 0 | 0 | 114.9 | F215 Q217 T220 M238 K316 | F215-E369 HydrophobicContact CB-CB 4.16Å; F215-E369 HydrophobicContact CB-CG 4.1Å; Q217-E369 HydrophobicContact CG-CB 3.82Å; Q217-E369 HydrophobicContact CG-CG 3.82Å; T220-E369 PolarHBondContact OG1-OE1 3.26Å; M238-E369 HydrophobicContact CG-CG 4.12Å; M238-E369 HydrophobicContact SD-CB 4.48Å; M238-E369 HydrophobicContact SD-CG 3.82Å; K316-E369 WeakPolarHBondContact CE-OE2 3.22Å; K316-E369 IonicContact NZ-OE1 2.74Å; K316-E369 PolarHBondContact NZ-OE1 2.91Å; K316-E369 IonicContact NZ-OE2 2.72Å; K316-E369 PolarHBondContact NZ-OE2 2.62Å |
| 370 | E | 86.3 | Confident | 63.5 | Low | 78 Ų | 78 | 55 Ų | 55 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | trans | -70.4 | 150.1 | -167.1 | -62.9 | -174 | 163.3 | 0 | 0 | 115.4 | K208 W211 N368 | K208-E370 WeakPolarHBondContact CE-OE2 3.39Å; K208-E370 IonicContact NZ-OE2 3.24Å; K208-E370 PolarHBondContact NZ-OE2 3.34Å; W211-E370 PolarHBondContact N-O 2.92Å; N368-E370 PolarHBondContact O-N 3.13Å; N368-E370 WeakPolarHBondContact OD1-CB 3.28Å; N368-E370 WeakPolarHBondContact OD1-CG 3.19Å; N368-E370 PolarHBondContact OD1-N 2.71Å | ||
| 371 | G | 59.5 | Low | 60.4 | Low | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -165.4 | -145.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N210 W211 R214 | N210-G371 VanDerWaalsContact CB-CA 3.48Å; W211-G371 WeakPolarHBondContact O-CA 3.23Å; R214-G371 VanDerWaalsContact CZ-C 3.44Å; R214-G371 VanDerWaalsContact NE-N 3.15Å; R214-G371 PolarHBondContact NE-O 2.9Å; R214-G371 VanDerWaalsContact NH2-C 3.3Å; R214-G371 PolarHBondContact NH2-O 2.69Å |
| 372 | T | 27.5 | Very low | 57.4 | Low | 95 Ų | 95 | 68.6 Ų | 68.6 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | trans | -113 | 144.4 | 150.8 | -69.4 | 0 | 0 | 0 | 0 | 109.8 | R214 A374 | R214-T372 VanDerWaalsContact CZ-C 3.4Å; R214-T372 VanDerWaalsContact CZ-CA 3.5Å; R214-T372 VanDerWaalsContact NE-CA 3.33Å; R214-T372 VanDerWaalsContact NE-N 3.12Å; R214-T372 PolarHBondContact NE-O 3.46Å; T372-A374 PolarHBondContact O-N 3.23Å | ||
| 373 | E | 30.1 | Very low | 54.7 | Low | 167 Ų | 167 | 70.7 Ų | 70.7 | 78% | 0.78 | 47% | 0.469 | S | S | * | . | trans | -73.5 | 111.8 | -173.1 | -160.1 | 177.4 | -161.3 | 0 | 0 | 110.5 | R214 | R214-E373 VanDerWaalsContact CZ-N 3.27Š| ||
| 374 | A | 30.4 | Very low | 52.2 | Low | 89 Ų | 89 | 80.6 Ų | 80.6 | 74% | 0.736 | 51% | 0.512 | S | S | * | . | trans | -112.2 | 112.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | T372 A376 | T372-A374 PolarHBondContact O-N 3.23Å; A374-A376 PolarHBondContact O-N 3.06Å | ||
| 375 | A | 27.1 | Very low | 49.9 | Very low | 105 Ų | 105 | 84.9 Ų | 84.9 | 87% | 0.868 | 54% | 0.541 | S | S | * | . | trans | -68.3 | 123.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 376 | A | 28.4 | Very low | 47.7 | Very low | 73 Ų | 73 | 94.3 Ų | 94.3 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | trans | -139.4 | 95.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A374 | A374-A376 PolarHBondContact O-N 3.06Š| ||
| 377 | A | 28.6 | Very low | 46.1 | Very low | 104 Ų | 104 | 95.8 Ų | 95.8 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | trans | -69.2 | 121.2 | 162 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 378 | T | 32.6 | Very low | 45 | Very low | 138 Ų | 138 | 103.8 Ų | 103.8 | 85% | 0.847 | 63% | 0.627 | S | S | * | * | trans | -115.6 | 89.3 | 162.3 | -8.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 379 | A | 27 | Very low | 44.6 | Very low | 96 Ų | 96 | 107.2 Ų | 107.2 | 79% | 0.793 | 64% | 0.642 | S | S | * | * | trans | -79.5 | 126.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 380 | G | 30.7 | Very low | 44.5 | Very low | 67 Ų | 67 | 108.7 Ų | 108.7 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | trans | 82.3 | 109.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 381 | I | 31.7 | Very low | 45 | Very low | 160 Ų | 160 | 109.4 Ų | 109.4 | 82% | 0.821 | 65% | 0.652 | S | S | * | * | 177.8 | 114.6 | 101.4 | -80.8 | 153.6 | 0 | 0 | 0 | 105.5 | A383 | I381-A383 VanDerWaalsContact C-N 3.33Å; I381-A383 PolarHBondContact O-N 3.48Å | |||
| 382 | V | 34.7 | Very low | 46.8 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 81% | 0.806 | 65% | 0.651 | S | S | * | * | trans | -75.4 | 91.1 | 172.2 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | F384 | V382-F384 HydrophobicContact CG1-CD2 4.34Å; V382-F384 HydrophobicContact CG1-CE2 4.34Å | ||
| 383 | A | 38.7 | Very low | 50.1 | Low | 62 Ų | 62 | 106.5 Ų | 106.5 | 51% | 0.512 | 63% | 0.634 | S | S | . | * | trans | -90.5 | 120.5 | 158 | 0 | 0 | 0 | 0 | 0 | 106.9 | I381 C385 | I381-A383 VanDerWaalsContact C-N 3.33Å; I381-A383 PolarHBondContact O-N 3.48Å; A383-C385 PolarHBondContact O-N 2.95Å | ||
| 384 | F | 38.9 | Very low | 53.3 | Low | 208 Ų | 208 | 98.6 Ų | 98.6 | 91% | 0.912 | 60% | 0.597 | S | S | * | * | trans | -66.3 | 75.8 | 169.2 | -87.7 | -92.5 | 0 | 0 | 0 | 109.5 | V382 | V382-F384 HydrophobicContact CG1-CD2 4.34Å; V382-F384 HydrophobicContact CG1-CE2 4.34Å | ||
| 385 | C | 40.8 | Very low | 56.5 | Low | 93 Ų | 93 | 95.4 Ų | 95.4 | 63% | 0.628 | 57% | 0.568 | S | S | * | * | trans | -100.1 | 141 | 156.4 | -70.4 | 0 | 0 | 0 | 0 | 106.2 | A383 I387 | A383-C385 PolarHBondContact O-N 2.95Å; C385-I387 PolarHBondContact O-N 2.93Å | ||
| 386 | M | 43.3 | Very low | 59.7 | Low | 198 Ų | 198 | 91.1 Ų | 91.1 | 98% | 0.975 | 53% | 0.53 | S | S | * | . | trans | -63.2 | 86.2 | 164.2 | -75.8 | -179.4 | -94.1 | 0 | 0 | 107.1 | R388 | M386-R388 PolarHBondContact O-N 3.31Å; M386-R388 VanDerWaalsContact O-N 3.15Å | ||
| 387 | I | 56.1 | Low | 62.9 | Low | 108 Ų | 108 | 88 Ų | 88 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | trans | -66.5 | 112.8 | 169.5 | -62 | 176.9 | 0 | 0 | 0 | 104 | C385 E389 | C385-I387 PolarHBondContact O-N 2.93Å; I387-E389 PolarHBondContact O-N 2.86Å | ||
| 388 | R | 68.6 | Low | 66.1 | Low | 173 Ų | 173 | 83.1 Ų | 83.1 | 65% | 0.653 | 46% | 0.463 | S | S | * | . | trans | -65.3 | 116.7 | 169.9 | -174.2 | 177.4 | 174 | -176.5 | -3.4 | 105.8 | T308 M386 E390 | T308-R388 VanDerWaalsContact CG2-O 3.28Å; T308-R388 WeakPolarHBondContact CG2-O 3.41Å; M386-R388 PolarHBondContact O-N 3.31Å; M386-R388 VanDerWaalsContact O-N 3.15Å; R388-E390 IonicContact CZ-OE1 3.53Å; R388-E390 IonicContact NE-OE1 3.13Å; R388-E390 PolarHBondContact NE-OE1 3.02Å; R388-E390 VanDerWaalsContact NE-OE1 3.13Å; R388-E390 IonicContact NH2-OE1 3.08Å; R388-E390 PolarHBondContact NH2-OE1 3.49Å; R388-E390 VanDerWaalsContact NH2-OE1 3.08Å | ||
| 389 | E | 81.6 | Confident | 69.1 | Low | 91 Ų | 91 | 76.8 Ų | 76.8 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.7 | 174.2 | 62.2 | -170.5 | 173.3 | 0 | 0 | 108.1 | M241 I311 I387 H391 | M241-E389 HydrophobicContact CE-CB 4.42Å; I311-E389 HydrophobicContact CD1-CG 4.41Å; I311-E389 WeakPolarHBondContact CD1-OE2 3.29Å; I387-E389 PolarHBondContact O-N 2.86Å; E389-H391 IonicContact OE1-NE2 2.73Å |
| 390 | E | 92.6 | Very high | 72.5 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.4 | 175.8 | -62.1 | -68.2 | 167.4 | 0 | 0 | 108.5 | F246 T308 E309 V310 I311 R388 | F246-E390 HydrophobicContact CD1-CB 4.38Å; F246-E390 HydrophobicContact CD1-CG 4.21Å; F246-E390 HydrophobicContact CE1-CB 4.19Å; F246-E390 HydrophobicContact CE1-CG 4.08Å; F246-E390 HydrophobicContact CZ-CB 4.35Å; T308-E390 HydrophobicContact CG2-CG 3.83Å; E309-E390 PolarHBondContact O-N 3.3Å; E309-E390 VanDerWaalsContact O-N 3.09Å; V310-E390 CarbonylContact C-O 3.52Å; V310-E390 WeakPolarHBondContact CA-O 3.38Å; V310-E390 HydrophobicContact CG2-CB 4.49Å; I311-E390 PolarHBondContact N-O 2.89Å; R388-E390 IonicContact CZ-OE1 3.53Å; R388-E390 IonicContact NE-OE1 3.13Å; R388-E390 PolarHBondContact NE-OE1 3.02Å; R388-E390 VanDerWaalsContact NE-OE1 3.13Å; R388-E390 IonicContact NH2-OE1 3.08Å; R388-E390 PolarHBondContact NH2-OE1 3.49Å; R388-E390 VanDerWaalsContact NH2-OE1 3.08Å |
| 391 | H | 95.3 | Very high | 75.7 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122 | 179 | -72.9 | -104.4 | 0 | 0 | 0 | 109.8 | Q255 E389 | Q255-H391 PolarHBondContact NE2-O 3.16Å; E389-H391 IonicContact OE1-NE2 2.73Å |
| 392 | F | 97.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 105 | 172.6 | -174.4 | -85.7 | 0 | 0 | 0 | 108.7 | F246 Q255 V257 V270 L272 V310 I311 V312 H313 A394 | F246-F392 HydrophobicContact CE2-CD2 4.15Å; Q255-F392 HydrophobicContact CB-CD2 3.82Å; Q255-F392 HydrophobicContact CB-CE2 3.88Å; V257-F392 HydrophobicContact CB-CD1 4.47Å; V257-F392 HydrophobicContact CB-CD2 4.04Å; V257-F392 HydrophobicContact CB-CE2 4.14Å; V257-F392 HydrophobicContact CB-CG 4.2Å; V257-F392 HydrophobicContact CB-CZ 4.41Å; V257-F392 HydrophobicContact CG1-CD1 3.74Å; V257-F392 HydrophobicContact CG1-CD2 4Å; V257-F392 HydrophobicContact CG1-CE1 3.54Å; V257-F392 HydrophobicContact CG1-CE2 3.81Å; V257-F392 HydrophobicContact CG1-CG 3.97Å; V257-F392 HydrophobicContact CG1-CZ 3.58Å; V270-F392 HydrophobicContact CB-CE1 4.06Å; V270-F392 HydrophobicContact CB-CZ 3.68Å; V270-F392 HydrophobicContact CG1-CE1 3.95Å; V270-F392 HydrophobicContact CG1-CZ 3.61Å; L272-F392 HydrophobicContact CB-CE2 3.6Å; L272-F392 HydrophobicContact CB-CZ 3.58Å; L272-F392 HydrophobicContact CD2-CD2 4.32Å; L272-F392 HydrophobicContact CD2-CE1 4.3Å; L272-F392 HydrophobicContact CD2-CE2 4.04Å; L272-F392 HydrophobicContact CD2-CZ 4.01Å; L272-F392 HydrophobicContact CG-CE2 4.5Å; L272-F392 HydrophobicContact CG-CZ 4.42Å; V310-F392 HydrophobicContact CG1-CB 3.95Å; I311-F392 PolarHBondContact O-N 3.32Å; V312-F392 CarbonylContact C-O 3.53Å; V312-F392 WeakPolarHBondContact CA-O 3.41Å; V312-F392 HydrophobicContact CG1-CD1 4.31Å; H313-F392 PolarHBondContact N-O 2.86Å; F392-A394 HydrophobicContact CE1-CB 3.98Å |
| 393 | T | 97.8 | Very high | 81.6 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 96.7 | -175.7 | -55 | 0 | 0 | 0 | 0 | 110.5 | L272 H313 D395 | L272-T393 VanDerWaalsContact CD2-O 3.25Å; L272-T393 WeakPolarHBondContact CD2-O 3.5Å; H313-T393 HydrophobicContact CB-CG2 3.97Å; T393-D395 HydrophobicContact CG2-CB 3.98Å; T393-D395 PolarHBondContact O-N 2.75Å |
| 394 | A | 97.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -80.3 | 59.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L272 H313 L314 P315 F392 F398 | L272-A394 HydrophobicContact CD1-CB 4.3Å; H313-A394 PolarHBondContact O-N 3.48Å; L314-A394 HydrophobicContact CD1-CB 4.17Å; P315-A394 VanDerWaalsContact CD-O 3.32Å; P315-A394 WeakPolarHBondContact CD-O 3.34Å; F392-A394 HydrophobicContact CE1-CB 3.98Å; A394-F398 HydrophobicContact CB-CD1 3.77Å; A394-F398 HydrophobicContact CB-CE1 3.85Å | ||
| 395 | D | 96.1 | Very high | 86.8 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | trans | -96 | 13.7 | -179.3 | 73.8 | -22.5 | 0 | 0 | 0 | 113.9 | F225 K226 M237 T393 | F225-D395 CarbonylContact C-O 3.59Å; F225-D395 VanDerWaalsContact CA-O 3.26Å; F225-D395 WeakPolarHBondContact CA-O 3.34Å; F225-D395 VanDerWaalsContact CD2-C 3.47Å; K226-D395 PolarHBondContact N-O 3.4Å; K226-D395 IonicContact NZ-OD2 3.3Å; M237-D395 HydrophobicContact CE-CB 3.99Å; T393-D395 HydrophobicContact CG2-CB 3.98Å; T393-D395 PolarHBondContact O-N 2.75Å | ||
| 396 | H | 94.7 | Very high | 89.2 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -152.8 | 174.7 | 178.9 | 58 | -86.7 | 0 | 0 | 0 | 109.7 | F225 K226 L272 P273 E275 F398 | F225-H396 WeakPolarHBondContact CE2-O 3.49Å; F225-H396 VanDerWaalsContact CZ-O 3.3Å; F225-H396 WeakPolarHBondContact CZ-O 3Å; K226-H396 HydrophobicContact CB-CB 4.14Å; K226-H396 WeakPolarHBondContact O-CA 3.21Å; L272-H396 WeakPolarHBondContact CD1-NE2 3.03Å; P273-H396 PolarHBondContact O-NE2 2.59Å; E275-H396 IonicContact OE1-ND1 3.28Å; H396-F398 VanDerWaalsContact O-CD1 3.31Å; H396-F398 WeakPolarHBondContact O-CD1 3.42Å; H396-F398 PolarHBondContact O-N 3.15Å |
| 397 | P | 94.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | trans | -55.5 | 130.9 | -171.2 | -29 | 37.6 | 0 | 0 | 0 | 113.8 | K226 L283 F416 | K226-P397 WeakPolarHBondContact O-CD 3.26Å; L283-P397 HydrophobicContact CD1-CB 3.55Å; L283-P397 HydrophobicContact CG-CB 4.02Å; P397-F416 VanDerWaalsContact CA-O 3.28Å; P397-F416 WeakPolarHBondContact CA-O 3.49Å | ||
| 398 | F | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 155.1 | 179.9 | 59.2 | -98.7 | 0 | 0 | 0 | 111.8 | F225 V270 L272 L314 P315 F317 A394 H396 F400 R415 F416 | F225-F398 HydrophobicContact CE2-CD1 4.4Å; F225-F398 HydrophobicContact CE2-CE1 4.12Å; V270-F398 HydrophobicContact CG1-CB 4.17Å; V270-F398 HydrophobicContact CG1-CD2 3.5Å; V270-F398 HydrophobicContact CG1-CE2 4Å; V270-F398 HydrophobicContact CG1-CG 3.88Å; L272-F398 HydrophobicContact CD1-CB 3.84Å; L314-F398 HydrophobicContact CD1-CZ 4.43Å; P315-F398 HydrophobicContact CG-CE1 3.7Å; P315-F398 HydrophobicContact CG-CZ 3.92Å; F317-F398 HydrophobicContact CE1-CE2 4.4Å; F317-F398 AromaticContact CE1-CZ 3.95Å; F317-F398 HydrophobicContact CE1-CZ 3.95Å; A394-F398 HydrophobicContact CB-CD1 3.77Å; A394-F398 HydrophobicContact CB-CE1 3.85Å; H396-F398 VanDerWaalsContact O-CD1 3.31Å; H396-F398 WeakPolarHBondContact O-CD1 3.42Å; H396-F398 PolarHBondContact O-N 3.15Å; F398-F400 HydrophobicContact CD2-CB 4.25Å; F398-F400 HydrophobicContact CD2-CD1 4.24Å; F398-F400 HydrophobicContact CE2-CB 4.24Å; F398-F400 AromaticContact CE2-CD1 3.9Å; F398-F400 HydrophobicContact CE2-CD1 3.9Å; F398-F400 HydrophobicContact CE2-CG 4.35Å; F398-R415 WeakPolarHBondContact O-CA 3.33Å; F398-F416 HydrophobicContact CD1-CB 4.45Å; F398-F416 HydrophobicContact CD1-CD1 4.36Å; F398-F416 HydrophobicContact CD2-CB 4.18Å; F398-F416 HydrophobicContact CE1-CB 3.94Å; F398-F416 AromaticContact CE1-CD1 3.51Å; F398-F416 HydrophobicContact CE1-CD1 3.51Å; F398-F416 HydrophobicContact CE1-CE1 4.41Å; F398-F416 HydrophobicContact CE1-CG 4.07Å; F398-F416 HydrophobicContact CE2-CB 3.65Å; F398-F416 HydrophobicContact CE2-CG 4.41Å; F398-F416 HydrophobicContact CZ-CB 3.51Å; F398-F416 AromaticContact CZ-CD1 3.69Å; F398-F416 HydrophobicContact CZ-CD1 3.69Å; F398-F416 AromaticContact CZ-CG 3.79Å; F398-F416 HydrophobicContact CZ-CG 3.79Å; F398-F416 PolarHBondContact N-O 3.41Å; F398-F416 PolarHBondContact O-N 3.17Å |
| 399 | L | 96.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 147.7 | 165.2 | -59.1 | -170.8 | 0 | 0 | 0 | 109.4 | Y57 L271 L283 L286 E287 L290 G414 R415 | Y57-L399 WeakPolarHBondContact OH-CD2 3.22Å; L271-L399 HydrophobicContact CB-CB 4.07Å; L271-L399 PolarHBondContact N-O 2.82Å; L271-L399 PolarHBondContact O-N 3.4Å; L283-L399 HydrophobicContact CD1-CD2 4.24Å; L283-L399 HydrophobicContact CD2-CD2 3.99Å; L283-L399 HydrophobicContact CD2-CG 3.84Å; L286-L399 HydrophobicContact CD2-CB 4.49Å; L286-L399 HydrophobicContact CD2-CD1 3.67Å; L286-L399 HydrophobicContact CD2-CG 3.9Å; L286-L399 HydrophobicContact CG-CD1 3.8Å; E287-L399 HydrophobicContact CG-CD1 4.04Å; E287-L399 HydrophobicContact CG-CD2 4.13Å; L290-L399 HydrophobicContact CD2-CD1 4.16Å; L399-G414 WeakPolarHBondContact CA-O 3.31Å; L399-R415 HydrophobicContact CD2-CB 3.58Å |
| 400 | F | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155 | 169.8 | 72.8 | -80.4 | 0 | 0 | 0 | 110.8 | F69 M268 F269 V270 F317 L319 V365 F398 G414 F416 | F69-F400 HydrophobicContact CD2-CE2 4.11Å; F69-F400 AromaticContact CD2-CZ 3.57Å; F69-F400 HydrophobicContact CD2-CZ 3.57Å; F69-F400 AromaticContact CE2-CE2 3.7Å; F69-F400 HydrophobicContact CE2-CE2 3.7Å; F69-F400 AromaticContact CE2-CZ 3.63Å; F69-F400 HydrophobicContact CE2-CZ 3.63Å; M268-F400 HydrophobicContact CE-CD2 4.14Å; M268-F400 HydrophobicContact CE-CE2 4.48Å; M268-F400 HydrophobicContact SD-CD2 4.44Å; F269-F400 CarbonylContact O-C 3.57Å; F269-F400 WeakPolarHBondContact O-CA 3.26Å; F269-F400 WeakPolarHBondContact O-CB 3.37Å; V270-F400 HydrophobicContact CG2-CB 4.44Å; F317-F400 HydrophobicContact CE2-CE1 4.48Å; F317-F400 HydrophobicContact CE2-CZ 4.21Å; F317-F400 HydrophobicContact CZ-CE1 4.38Å; F317-F400 HydrophobicContact CZ-CZ 4.32Å; L319-F400 HydrophobicContact CD1-CE1 3.72Å; L319-F400 HydrophobicContact CD1-CZ 3.72Å; V365-F400 HydrophobicContact CG1-CZ 4.43Å; F398-F400 HydrophobicContact CD2-CB 4.25Å; F398-F400 HydrophobicContact CD2-CD1 4.24Å; F398-F400 HydrophobicContact CE2-CB 4.24Å; F398-F400 AromaticContact CE2-CD1 3.9Å; F398-F400 HydrophobicContact CE2-CD1 3.9Å; F398-F400 HydrophobicContact CE2-CG 4.35Å; F400-G414 PolarHBondContact N-O 2.77Å; F400-G414 PolarHBondContact O-N 3.09Å; F400-G414 VanDerWaalsContact O-O 3.09Å; F400-F416 HydrophobicContact CE1-CB 4.5Å |
| 401 | F | 97.5 | Very high | 95 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 152.7 | 170.8 | 67.7 | -91.3 | 0 | 0 | 0 | 110.8 | M268 F269 L271 L295 T299 R403 I410 F412 L413 | M268-F401 CarbonylContact C-O 3.58Å; M268-F401 WeakPolarHBondContact CA-O 3.38Å; F269-F401 HydrophobicContact CB-CD1 3.81Å; F269-F401 HydrophobicContact CB-CD2 4.25Å; F269-F401 HydrophobicContact CB-CE1 3.3Å; F269-F401 HydrophobicContact CB-CE2 3.8Å; F269-F401 HydrophobicContact CB-CG 4.25Å; F269-F401 HydrophobicContact CB-CZ 3.3Å; F269-F401 HydrophobicContact CD1-CZ 4.03Å; F269-F401 AromaticContact CD2-CD2 3.95Å; F269-F401 HydrophobicContact CD2-CD2 3.95Å; F269-F401 HydrophobicContact CD2-CE1 4.3Å; F269-F401 AromaticContact CD2-CE2 3.2Å; F269-F401 HydrophobicContact CD2-CE2 3.2Å; F269-F401 AromaticContact CD2-CZ 3.42Å; F269-F401 HydrophobicContact CD2-CZ 3.42Å; F269-F401 VanDerWaalsContact CD2-CZ 3.42Å; F269-F401 AromaticContact CE2-CE2 3.96Å; F269-F401 HydrophobicContact CE2-CE2 3.96Å; F269-F401 HydrophobicContact CE2-CZ 4.28Å; F269-F401 HydrophobicContact CG-CD2 4.42Å; F269-F401 AromaticContact CG-CE1 3.86Å; F269-F401 HydrophobicContact CG-CE1 3.86Å; F269-F401 AromaticContact CG-CE2 3.62Å; F269-F401 HydrophobicContact CG-CE2 3.62Å; F269-F401 AromaticContact CG-CZ 3.28Å; F269-F401 HydrophobicContact CG-CZ 3.28Å; F269-F401 PolarHBondContact N-O 3.26Å; F269-F401 PolarHBondContact O-N 3Å; L271-F401 HydrophobicContact CD1-CD1 3.87Å; L271-F401 HydrophobicContact CD1-CE1 3.55Å; L295-F401 HydrophobicContact CD1-CD1 4.11Å; L295-F401 HydrophobicContact CD1-CE1 3.46Å; L295-F401 VanDerWaalsContact CD1-CE1 3.46Å; L295-F401 HydrophobicContact CD1-CZ 3.98Å; L295-F401 HydrophobicContact CG-CE1 4.27Å; L295-F401 HydrophobicContact CG-CZ 4.33Å; T299-F401 HydrophobicContact CG2-CE1 4.17Å; T299-F401 HydrophobicContact CG2-CZ 3.82Å; F401-R403 HydrophobicContact CD2-CB 3.95Å; F401-R403 HydrophobicContact CE2-CB 3.8Å; F401-I410 HydrophobicContact CB-CG2 4.1Å; F401-I410 HydrophobicContact CD2-CG1 4.29Å; F401-F412 CarbonylContact C-O 3.58Å; F401-F412 WeakPolarHBondContact CA-O 3.3Å; F401-F412 WeakPolarHBondContact CB-O 3.36Å; F401-L413 HydrophobicContact CB-CD1 3.98Å |
| 402 | I | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.2 | 174.2 | -58.6 | 174.5 | 0 | 0 | 0 | 107.3 | F207 Y261 L266 S267 M268 V365 L411 F412 | F207-I402 HydrophobicContact CD1-CD1 3.76Å; F207-I402 HydrophobicContact CE1-CD1 3.63Å; F207-I402 HydrophobicContact CZ-CD1 4.43Å; Y261-I402 HydrophobicContact CE2-CG2 4.23Å; L266-I402 HydrophobicContact CB-CG2 4.4Å; L266-I402 HydrophobicContact CD1-CG2 4.5Å; S267-I402 WeakPolarHBondContact O-CA 3.25Å; M268-I402 HydrophobicContact CB-CG1 4.35Å; M268-I402 HydrophobicContact CE-CD1 3.96Å; M268-I402 HydrophobicContact CE-CG1 4.03Å; M268-I402 HydrophobicContact CG-CG1 4.43Å; V365-I402 HydrophobicContact CG2-CD1 4.34Å; I402-L411 PolarHBondContact O-N 2.85Å; I402-F412 HydrophobicContact CB-CB 4.18Å; I402-F412 HydrophobicContact CB-CD2 4.07Å; I402-F412 HydrophobicContact CD1-CB 4.41Å; I402-F412 HydrophobicContact CD1-CD2 4.07Å; I402-F412 HydrophobicContact CD1-CG 4.49Å; I402-F412 HydrophobicContact CG1-CB 4.4Å; I402-F412 HydrophobicContact CG2-CD2 4.49Å; I402-F412 PolarHBondContact N-O 3.16Å; I402-F412 PolarHBondContact O-N 3.35Å |
| 403 | R | 95.5 | Very high | 95 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.9 | -174.1 | -179.9 | 167.9 | 68.6 | -174.9 | -0.7 | 110.9 | L266 S267 F269 T299 F401 N405 K408 S409 | L266-R403 VanDerWaalsContact CA-O 3.29Å; L266-R403 WeakPolarHBondContact CA-O 3.31Å; S267-R403 PolarHBondContact N-O 3Å; S267-R403 PolarHBondContact O-N 3.41Å; F269-R403 HydrophobicContact CD2-CB 4.37Å; F269-R403 HydrophobicContact CE2-CB 4.15Å; T299-R403 PolarHBondContact O-NH2 2.88Å; T299-R403 VanDerWaalsContact O-NH2 3.11Å; T299-R403 PolarHBondContact OG1-NH1 2.91Å; T299-R403 PolarHBondContact OG1-NH2 2.88Å; F401-R403 HydrophobicContact CD2-CB 3.95Å; F401-R403 HydrophobicContact CE2-CB 3.8Å; R403-N405 PolarHBondContact O-N 3.38Å; R403-K408 WeakPolarHBondContact CD-O 3.41Å; R403-S409 CarbonylContact C-O 3.54Å; R403-S409 WeakPolarHBondContact CA-O 3.19Å |
| 404 | H | 94.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.3 | 163.7 | -175 | -119.8 | 0 | 0 | 0 | 109.9 | D116 I117 E265 L266 K406 S407 K408 S409 L411 | D116-H404 IonicContact OD2-CE1 3.54Å; D116-H404 PolarHBondContact OD2-CE1 3.44Å; D116-H404 VanDerWaalsContact OD2-CE1 3.31Å; I117-H404 HydrophobicContact CG1-CB 4.38Å; E265-H404 PolarHBondContact O-CD2 2.91Å; E265-H404 VanDerWaalsContact O-CD2 3.24Å; L266-H404 HydrophobicContact CD2-CB 3.92Å; H404-K406 VanDerWaalsContact C-N 3.34Å; H404-K406 PolarHBondContact O-N 3.25Å; H404-S407 PolarHBondContact ND1-OG 3.49Å; H404-S407 PolarHBondContact O-N 3.48Å; H404-K408 WeakPolarHBondContact O-CA 3.4Å; H404-K408 PolarHBondContact O-N 3.46Å; H404-S409 PolarHBondContact N-O 3.48Å; H404-S409 PolarHBondContact O-N 3Å; H404-L411 HydrophobicContact CB-CD1 4.47Å; H404-L411 HydrophobicContact CB-CD2 4.28Å; H404-L411 HydrophobicContact CB-CG 4.36Å |
| 405 | N | 92.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 16.5 Ų | 16.5 | 15% | 0.15 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -37.2 | -164.7 | -73.5 | -26.3 | 0 | 0 | 0 | 112.3 | E264 E265 S267 R403 | E264-N405 PolarHBondContact O-ND2 3.44Å; E265-N405 PolarHBondContact O-N 2.94Å; S267-N405 PolarHBondContact OG-ND2 2.84Å; R403-N405 PolarHBondContact O-N 3.38Å |
| 406 | K | 90.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 15.5 Ų | 15.5 | 58% | 0.578 | 7% | 0.071 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -47.4 | 179.2 | 177.9 | 179.7 | 166.3 | -158 | 0 | 112.8 | D116 H404 | D116-K406 IonicContact OD1-NZ 2.66Å; D116-K406 PolarHBondContact OD1-NZ 3.38Å; D116-K406 WeakPolarHBondContact OD2-CD 3.37Å; D116-K406 WeakPolarHBondContact OD2-CE 3.29Å; D116-K406 IonicContact OD2-NZ 2.63Å; D116-K406 PolarHBondContact OD2-NZ 3.05Å; H404-K406 VanDerWaalsContact C-N 3.34Å; H404-K406 PolarHBondContact O-N 3.25Å |
| 407 | S | 90.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.042 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9.9 | -179.3 | 65.3 | 0 | 0 | 0 | 0 | 114 | S46 L113 H404 S409 | S46-S407 WeakPolarHBondContact CB-O 3.19Å; S46-S407 PolarHBondContact OG-O 3Å; S46-S407 VanDerWaalsContact OG-O 3.06Å; L113-S407 WeakPolarHBondContact CD1-OG 3.49Å; H404-S407 PolarHBondContact ND1-OG 3.49Å; H404-S407 PolarHBondContact O-N 3.48Å; S407-S409 PolarHBondContact O-N 3.44Å; S407-S409 WeakPolarHBondContact OG-CB 3.45Å; S407-S409 PolarHBondContact OG-N 2.93Å |
| 408 | K | 91.9 | Very high | 94.3 | Very high | 100 Ų | 100 | 16.3 Ų | 16.3 | 44% | 0.435 | 8% | 0.078 | S | C | . | . | trans | 59.6 | 13.5 | -168.6 | -56.6 | -68.2 | -176.3 | 176 | 0 | 114.3 | R403 H404 | R403-K408 WeakPolarHBondContact CD-O 3.41Å; H404-K408 WeakPolarHBondContact O-CA 3.4Å; H404-K408 PolarHBondContact O-N 3.46Å | ||
| 409 | S | 92.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -70.6 | 130.4 | -179.7 | -157.7 | 0 | 0 | 0 | 0 | 111.9 | S46 R403 H404 S407 L411 | S46-S409 WeakPolarHBondContact OG-CB 3.47Å; R403-S409 CarbonylContact C-O 3.54Å; R403-S409 WeakPolarHBondContact CA-O 3.19Å; H404-S409 PolarHBondContact N-O 3.48Å; H404-S409 PolarHBondContact O-N 3Å; S407-S409 PolarHBondContact O-N 3.44Å; S407-S409 WeakPolarHBondContact OG-CB 3.45Å; S407-S409 PolarHBondContact OG-N 2.93Å; S409-L411 PolarHBondContact O-N 2.98Å | ||
| 410 | I | 95.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.5 | 173.2 | -60.5 | 175.9 | 0 | 0 | 0 | 108.8 | T50 P72 L295 F401 F412 L413 | T50-I410 HydrophobicContact CG2-CD1 3.76Å; P72-I410 HydrophobicContact CG-CG2 4.44Å; L295-I410 HydrophobicContact CD2-CD1 3.49Å; L295-I410 VanDerWaalsContact CD2-CD1 3.49Å; F401-I410 HydrophobicContact CB-CG2 4.1Å; F401-I410 HydrophobicContact CD2-CG1 4.29Å; I410-F412 VanDerWaalsContact CG2-O 3.28Å; I410-F412 WeakPolarHBondContact CG2-O 3.32Å; I410-L413 HydrophobicContact CG2-CB 4.12Å |
| 411 | L | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -38.3 | 178.3 | -55.8 | -165.4 | 0 | 0 | 0 | 111.3 | S71 F73 I117 L126 L266 I402 H404 S409 | S71-L411 VanDerWaalsContact CA-O 3.23Å; S71-L411 WeakPolarHBondContact CA-O 3.35Å; S71-L411 WeakPolarHBondContact CB-O 3.49Å; S71-L411 PolarHBondContact OG-O 3.49Å; F73-L411 HydrophobicContact CB-CD2 4.17Å; F73-L411 HydrophobicContact CD1-CD2 3.99Å; F73-L411 HydrophobicContact CG-CD2 4.03Å; I117-L411 HydrophobicContact CD1-CD2 3.64Å; I117-L411 HydrophobicContact CG1-CD2 4.28Å; I117-L411 HydrophobicContact CG2-CD1 4.16Å; I117-L411 HydrophobicContact CG2-CD2 4.17Å; L126-L411 HydrophobicContact CD2-CD1 4.3Å; L266-L411 HydrophobicContact CD1-CD1 4.44Å; L266-L411 HydrophobicContact CD2-CD1 3.47Å; L266-L411 VanDerWaalsContact CD2-CD1 3.47Å; L266-L411 HydrophobicContact CD2-CG 4.33Å; I402-L411 PolarHBondContact O-N 2.85Å; H404-L411 HydrophobicContact CB-CD1 4.47Å; H404-L411 HydrophobicContact CB-CD2 4.28Å; H404-L411 HydrophobicContact CB-CG 4.36Å; S409-L411 PolarHBondContact O-N 2.98Å |
| 412 | F | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142 | 179.9 | -62.3 | -85.6 | 0 | 0 | 0 | 110.3 | F69 I70 L126 I205 F207 F401 I402 I410 | F69-F412 AromaticContact CE1-CD1 3.83Å; F69-F412 HydrophobicContact CE1-CD1 3.83Å; F69-F412 HydrophobicContact CE1-CE1 4.24Å; F69-F412 HydrophobicContact CE2-CB 3.74Å; F69-F412 AromaticContact CE2-CD1 3.97Å; F69-F412 HydrophobicContact CE2-CD1 3.97Å; F69-F412 HydrophobicContact CE2-CG 4.2Å; F69-F412 HydrophobicContact CZ-CB 3.84Å; F69-F412 AromaticContact CZ-CD1 3.22Å; F69-F412 HydrophobicContact CZ-CD1 3.22Å; F69-F412 AromaticContact CZ-CE1 3.95Å; F69-F412 HydrophobicContact CZ-CE1 3.95Å; F69-F412 AromaticContact CZ-CG 3.77Å; F69-F412 HydrophobicContact CZ-CG 3.77Å; I70-F412 WeakPolarHBondContact O-CA 3.35Å; L126-F412 HydrophobicContact CD1-CE2 3.75Å; L126-F412 HydrophobicContact CD1-CZ 3.87Å; I205-F412 HydrophobicContact CD1-CE1 3.86Å; I205-F412 HydrophobicContact CD1-CE2 4.22Å; I205-F412 HydrophobicContact CD1-CZ 3.47Å; I205-F412 VanDerWaalsContact CD1-CZ 3.47Å; I205-F412 HydrophobicContact CG1-CE1 4.06Å; I205-F412 HydrophobicContact CG1-CZ 3.73Å; I205-F412 HydrophobicContact CG2-CE1 3.89Å; I205-F412 HydrophobicContact CG2-CZ 4.44Å; F207-F412 HydrophobicContact CB-CD2 4.39Å; F207-F412 HydrophobicContact CB-CE1 4.39Å; F207-F412 HydrophobicContact CB-CE2 3.39Å; F207-F412 HydrophobicContact CB-CZ 3.37Å; F207-F412 HydrophobicContact CD1-CE2 4.48Å; F207-F412 HydrophobicContact CD2-CE2 4.32Å; F207-F412 AromaticContact CG-CE2 3.83Å; F207-F412 HydrophobicContact CG-CE2 3.83Å; F207-F412 HydrophobicContact CG-CZ 4.31Å; F401-F412 CarbonylContact C-O 3.58Å; F401-F412 WeakPolarHBondContact CA-O 3.3Å; F401-F412 WeakPolarHBondContact CB-O 3.36Å; I402-F412 HydrophobicContact CB-CB 4.18Å; I402-F412 HydrophobicContact CB-CD2 4.07Å; I402-F412 HydrophobicContact CD1-CB 4.41Å; I402-F412 HydrophobicContact CD1-CD2 4.07Å; I402-F412 HydrophobicContact CD1-CG 4.49Å; I402-F412 HydrophobicContact CG1-CB 4.4Å; I402-F412 HydrophobicContact CG2-CD2 4.49Å; I402-F412 PolarHBondContact N-O 3.16Å; I402-F412 PolarHBondContact O-N 3.35Å; I410-F412 VanDerWaalsContact CG2-O 3.28Å; I410-F412 WeakPolarHBondContact CG2-O 3.32Å |
| 413 | L | 96.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.3 | 174.7 | 174.9 | 61.9 | 0 | 0 | 0 | 108.3 | A53 L54 Y57 I70 P72 F401 I410 | A53-L413 HydrophobicContact CB-CD2 4.26Å; L54-L413 HydrophobicContact CD2-CD2 4.48Å; Y57-L413 HydrophobicContact CD2-CD2 3.92Å; Y57-L413 HydrophobicContact CD2-CG 3.88Å; Y57-L413 HydrophobicContact CE2-CG 4.39Å; Y57-L413 HydrophobicContact CG-CD2 3.78Å; Y57-L413 HydrophobicContact CG-CG 4.25Å; I70-L413 HydrophobicContact CG1-CB 4.42Å; I70-L413 PolarHBondContact N-O 3.46Å; I70-L413 PolarHBondContact O-N 3.42Å; P72-L413 HydrophobicContact CG-CB 4.18Å; F401-L413 HydrophobicContact CB-CD1 3.98Å; I410-L413 HydrophobicContact CG2-CB 4.12Å |
| 414 | G | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 170.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V68 L399 F400 | V68-G414 CarbonylContact O-C 3.59Å; V68-G414 WeakPolarHBondContact O-CA 3.43Å; L399-G414 WeakPolarHBondContact CA-O 3.31Å; F400-G414 PolarHBondContact N-O 2.77Å; F400-G414 PolarHBondContact O-N 3.09Å; F400-G414 VanDerWaalsContact O-O 3.09Å |
| 415 | R | 94.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.3 | 162.5 | 61.3 | -179.9 | 159 | -153.8 | -4.6 | 110.1 | Y57 G61 N64 G66 V68 L283 E287 F398 L399 | Y57-R415 WeakPolarHBondContact OH-CB 3.48Å; Y57-R415 WeakPolarHBondContact OH-CD 3.42Å; G61-R415 PolarHBondContact O-NH2 3.1Å; N64-R415 PolarHBondContact O-NH2 3.05Å; G66-R415 PolarHBondContact O-NE 3.28Å; G66-R415 VanDerWaalsContact O-NE 3.13Å; V68-R415 HydrophobicContact CB-CG 4.01Å; V68-R415 HydrophobicContact CG2-CG 4.34Å; V68-R415 PolarHBondContact N-O 3.15Å; V68-R415 PolarHBondContact O-N 3.02Å; L283-R415 HydrophobicContact CD1-CB 4.11Å; E287-R415 WeakPolarHBondContact OE1-CD 3.42Å; E287-R415 IonicContact OE1-CZ 3.02Å; E287-R415 IonicContact OE1-NE 3.96Å; E287-R415 IonicContact OE1-NH1 2.83Å; E287-R415 PolarHBondContact OE1-NH1 3.16Å; E287-R415 IonicContact OE2-CZ 2.73Å; E287-R415 IonicContact OE2-NH1 3.7Å; E287-R415 PolarHBondContact OE2-NH1 3.21Å; F398-R415 WeakPolarHBondContact O-CA 3.33Å; L399-R415 HydrophobicContact CD2-CB 3.58Å |
| 416 | F | 94.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 100.4 | 169.3 | -175.2 | -99.5 | 0 | 0 | 0 | 107.9 | F225 P315 F317 L319 P397 F398 F400 P419 | F225-F416 AromaticContact CD2-CE1 3.96Å; F225-F416 HydrophobicContact CD2-CE1 3.96Å; F225-F416 HydrophobicContact CE1-CD1 4.34Å; F225-F416 HydrophobicContact CE1-CE1 4.16Å; F225-F416 AromaticContact CE2-CD1 3.62Å; F225-F416 HydrophobicContact CE2-CD1 3.62Å; F225-F416 AromaticContact CE2-CE1 3.51Å; F225-F416 HydrophobicContact CE2-CE1 3.51Å; F225-F416 HydrophobicContact CG-CE1 4.46Å; F225-F416 AromaticContact CZ-CD1 3.5Å; F225-F416 HydrophobicContact CZ-CD1 3.5Å; F225-F416 AromaticContact CZ-CE1 3.61Å; F225-F416 HydrophobicContact CZ-CE1 3.61Å; P315-F416 HydrophobicContact CB-CE1 4.34Å; P315-F416 HydrophobicContact CG-CD1 4.26Å; P315-F416 HydrophobicContact CG-CE1 3.95Å; F317-F416 HydrophobicContact CB-CD2 4.19Å; F317-F416 HydrophobicContact CB-CE2 3.5Å; F317-F416 VanDerWaalsContact CB-CE2 3.5Å; F317-F416 HydrophobicContact CB-CZ 3.93Å; F317-F416 HydrophobicContact CD1-CD2 4.23Å; F317-F416 HydrophobicContact CD1-CE2 4.22Å; F317-F416 HydrophobicContact CD2-CD2 4.12Å; F317-F416 HydrophobicContact CD2-CE2 4.25Å; F317-F416 AromaticContact CG-CD2 3.93Å; F317-F416 HydrophobicContact CG-CD2 3.93Å; F317-F416 AromaticContact CG-CE2 3.75Å; F317-F416 HydrophobicContact CG-CE2 3.75Å; F317-F416 HydrophobicContact CG-CZ 4.37Å; L319-F416 HydrophobicContact CD1-CD2 4.1Å; L319-F416 HydrophobicContact CD2-CD2 4.08Å; L319-F416 HydrophobicContact CD2-CE2 4.43Å; L319-F416 HydrophobicContact CG-CD2 4.24Å; P397-F416 VanDerWaalsContact CA-O 3.28Å; P397-F416 WeakPolarHBondContact CA-O 3.49Å; F398-F416 HydrophobicContact CD1-CB 4.45Å; F398-F416 HydrophobicContact CD1-CD1 4.36Å; F398-F416 HydrophobicContact CD2-CB 4.18Å; F398-F416 HydrophobicContact CE1-CB 3.94Å; F398-F416 AromaticContact CE1-CD1 3.51Å; F398-F416 HydrophobicContact CE1-CD1 3.51Å; F398-F416 HydrophobicContact CE1-CE1 4.41Å; F398-F416 HydrophobicContact CE1-CG 4.07Å; F398-F416 HydrophobicContact CE2-CB 3.65Å; F398-F416 HydrophobicContact CE2-CG 4.41Å; F398-F416 HydrophobicContact CZ-CB 3.51Å; F398-F416 AromaticContact CZ-CD1 3.69Å; F398-F416 HydrophobicContact CZ-CD1 3.69Å; F398-F416 AromaticContact CZ-CG 3.79Å; F398-F416 HydrophobicContact CZ-CG 3.79Å; F398-F416 PolarHBondContact N-O 3.41Å; F398-F416 PolarHBondContact O-N 3.17Å; F400-F416 HydrophobicContact CE1-CB 4.5Å; F416-P419 HydrophobicContact CZ-CB 4.06Å |
| 417 | S | 92.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | trans | -101.3 | -26.5 | -177.3 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | N67 L227 | N67-S417 PolarHBondContact OD1-N 2.94Å; L227-S417 WeakPolarHBondContact CD2-O 3.28Å | ||
| 418 | S | 89.9 | Confident | 91.6 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -152.8 | 141.7 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | N67 K233 | N67-S418 PolarHBondContact ND2-O 3.26Å; N67-S418 PolarHBondContact OD1-N 3.28Å; N67-S418 VanDerWaalsContact OD1-N 3.12Å; N67-S418 PolarHBondContact OD1-O 3.41Å; K233-S418 PolarHBondContact NZ-OG 3.24Å |
| 419 | P | 88.1 | Confident | 91.6 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 12% | 0.123 | 11% | 0.109 | C | C | . | . | trans | -61 | 147.2 | 161 | 29.6 | -35.7 | 0 | 0 | 0 | 110.4 | K233 V235 F416 | K233-P419 HydrophobicContact CB-CG 3.76Å; K233-P419 HydrophobicContact CD-CG 4.08Å; V235-P419 HydrophobicContact CG1-CB 3.62Å; V235-P419 HydrophobicContact CG1-CG 3.56Å; F416-P419 HydrophobicContact CZ-CB 4.06Å | ||
| 420 | Q | 70.3 | Confident | 91.5 | Very high | 179 Ų | 179 | 23.2 Ų | 23.2 | 84% | 0.836 | 12% | 0.119 | S | C | * | . | trans | -75.5 | 0 | 175.2 | -74.8 | -170.8 | -9.2 | 0 | 0 | 112 |
Retrieved 420 of 420 residues in 1489.9 ms
(Link to these results)