| 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 | 61.7 | Low | 78.2 | Confident | 204 Ų | 204 | 120.2 Ų | 120.2 | 100% | 1.005 | 63% | 0.627 | S | S | * | * | 0 | -54.5 | 0 | -125 | 165.6 | 77.4 | 0 | 0 | 113.6 | L3 I4 L5 | M1-L3 PolarHBondContact O-N 3.11Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-L5 PolarHBondContact O-N 3.34Å; M1-L5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | K | 72.4 | Confident | 77.5 | Confident | 191 Ų | 191 | 115.7 Ų | 115.7 | 83% | 0.83 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.3 | -41.2 | -178 | -64.9 | -176 | 179.3 | -179 | 0 | 114.7 | L5 A6 | K2-L5 PolarHBondContact O-N 3.49Å; K2-A6 WeakPolarHBondContact O-CB 3.47Å; K2-A6 PolarHBondContact O-N 2.77Å |
| 3 | L | 79.1 | Confident | 77 | Confident | 153 Ų | 153 | 110.4 Ų | 110.4 | 80% | 0.801 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.3 | -41 | 177.6 | -84.2 | 158.3 | 0 | 0 | 0 | 113.1 | M1 L5 A6 A7 | M1-L3 PolarHBondContact O-N 3.11Å; L3-L5 VanDerWaalsContact C-N 3.35Å; L3-A6 PolarHBondContact O-N 3.16Å; L3-A7 WeakPolarHBondContact O-CB 2.98Å; L3-A7 PolarHBondContact O-N 2.98Å |
| 4 | I | 82.3 | Confident | 76.4 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 60% | 0.6 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 177.4 | -62.8 | 171.3 | 0 | 0 | 0 | 110 | M1 A6 A7 L8 | M1-I4 PolarHBondContact O-N 3.23Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 3.24Å; I4-A7 PolarHBondContact O-N 2.66Å; I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 WeakPolarHBondContact O-CB 3.25Å; I4-L8 PolarHBondContact O-N 3.39Å |
| 5 | L | 78.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.6 | -41.9 | 177.1 | -149.3 | 90.9 | 0 | 0 | 0 | 111.6 | M1 K2 L3 L8 L9 | M1-L5 PolarHBondContact O-N 3.34Å; M1-L5 VanDerWaalsContact O-N 3.14Å; K2-L5 PolarHBondContact O-N 3.49Å; L3-L5 VanDerWaalsContact C-N 3.35Å; L5-L8 PolarHBondContact O-N 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 WeakPolarHBondContact O-CG 3.28Å; L5-L9 PolarHBondContact O-N 3.11Å |
| 6 | A | 83.9 | Confident | 74.7 | Confident | 49 Ų | 49 | 100.1 Ų | 100.1 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K2 L3 I4 L9 L10 | K2-A6 WeakPolarHBondContact O-CB 3.47Å; K2-A6 PolarHBondContact O-N 2.77Å; L3-A6 PolarHBondContact O-N 3.16Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 3.24Å; A6-L9 PolarHBondContact O-N 3.45Å; A6-L10 PolarHBondContact O-N 3Å |
| 7 | A | 83.9 | Confident | 73.9 | Confident | 58 Ų | 58 | 107.4 Ų | 107.4 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L3 I4 L9 L10 F11 | L3-A7 WeakPolarHBondContact O-CB 2.98Å; L3-A7 PolarHBondContact O-N 2.98Å; I4-A7 PolarHBondContact O-N 2.66Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 2.72Å; A7-L10 PolarHBondContact O-N 2.88Å; A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 2.95Å |
| 8 | L | 82.5 | Confident | 72.9 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 42% | 0.419 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.6 | -44.6 | 173.5 | -86.5 | 161.3 | 0 | 0 | 0 | 111.5 | I4 L5 F11 F12 | I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 WeakPolarHBondContact O-CB 3.25Å; I4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 3.24Å; L8-F11 PolarHBondContact O-N 3.34Å; L8-F12 HydrophobicContact CB-CD2 4.46Å; L8-F12 HydrophobicContact CB-CE2 4.24Å; L8-F12 HydrophobicContact CD2-CE2 3.84Å; L8-F12 HydrophobicContact CD2-CZ 4.21Å; L8-F12 WeakPolarHBondContact O-CD2 3.3Å; L8-F12 WeakPolarHBondContact O-CG 3.48Å; L8-F12 PolarHBondContact O-N 2.91Å |
| 9 | L | 78.1 | Confident | 71.7 | Confident | 109 Ų | 109 | 104.3 Ų | 104.3 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 177 | -83 | 164.5 | 0 | 0 | 0 | 112.4 | L5 A6 A7 F11 F12 A13 | L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 WeakPolarHBondContact O-CG 3.28Å; L5-L9 PolarHBondContact O-N 3.11Å; A6-L9 PolarHBondContact O-N 3.45Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 2.72Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.86Å; L9-F12 PolarHBondContact O-N 3.06Å; L9-A13 VanDerWaalsContact O-CB 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.31Å; L9-A13 PolarHBondContact O-N 2.77Å |
| 10 | L | 79.8 | Confident | 70.6 | Confident | 125 Ų | 125 | 105.6 Ų | 105.6 | 65% | 0.654 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 175.5 | -93 | 163 | 0 | 0 | 0 | 111.6 | A6 A7 A13 L14 | A6-L10 PolarHBondContact O-N 3Å; A7-L10 PolarHBondContact O-N 2.88Å; L10-A13 PolarHBondContact O-N 2.8Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 3.09Å |
| 11 | F | 78.3 | Confident | 69.7 | Low | 124 Ų | 124 | 102.4 Ų | 102.4 | 54% | 0.544 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 177.2 | -173.9 | -108.4 | 0 | 0 | 0 | 111.5 | A7 L8 L9 A13 L14 I15 | A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 2.95Å; L8-F11 PolarHBondContact O-N 3.34Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.86Å; F11-A13 VanDerWaalsContact C-N 3.32Å; F11-A13 PolarHBondContact O-N 3.49Å; F11-L14 PolarHBondContact O-N 2.87Å; F11-I15 HydrophobicContact CD1-CD1 3.64Å; F11-I15 HydrophobicContact CE1-CD1 3.26Å; F11-I15 HydrophobicContact CE1-CG1 4.33Å; F11-I15 HydrophobicContact CE2-CD1 4.27Å; F11-I15 HydrophobicContact CG-CD1 4.31Å; F11-I15 HydrophobicContact CZ-CD1 3.61Å; F11-I15 HydrophobicContact CZ-CG1 4.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.43Å; F11-I15 PolarHBondContact O-N 2.84Å |
| 12 | F | 69.9 | Low | 69.3 | Low | 66 Ų | 66 | 99.8 Ų | 99.8 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 175.2 | -70.9 | -55.7 | 0 | 0 | 0 | 112.5 | L8 L9 S16 I144 I148 | L8-F12 HydrophobicContact CB-CD2 4.46Å; L8-F12 HydrophobicContact CB-CE2 4.24Å; L8-F12 HydrophobicContact CD2-CE2 3.84Å; L8-F12 HydrophobicContact CD2-CZ 4.21Å; L8-F12 WeakPolarHBondContact O-CD2 3.3Å; L8-F12 WeakPolarHBondContact O-CG 3.48Å; L8-F12 PolarHBondContact O-N 2.91Å; L9-F12 PolarHBondContact O-N 3.06Å; F12-S16 WeakPolarHBondContact O-CB 3.37Å; F12-S16 PolarHBondContact O-N 2.9Å; F12-S16 PolarHBondContact O-OG 3.25Å; F12-I144 HydrophobicContact CD1-CG2 4.47Å; F12-I148 HydrophobicContact CD1-CD1 3.82Å; F12-I148 HydrophobicContact CD1-CG1 4.23Å; F12-I148 HydrophobicContact CE1-CD1 3.32Å; F12-I148 HydrophobicContact CE1-CG1 3.99Å; F12-I148 HydrophobicContact CZ-CD1 4.28Å |
| 13 | A | 70.5 | Confident | 69 | Low | 47 Ų | 47 | 98.3 Ų | 98.3 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L9 L10 F11 S16 R17 | L9-A13 VanDerWaalsContact O-CB 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.31Å; L9-A13 PolarHBondContact O-N 2.77Å; L10-A13 PolarHBondContact O-N 2.8Å; F11-A13 VanDerWaalsContact C-N 3.32Å; F11-A13 PolarHBondContact O-N 3.49Å; A13-S16 PolarHBondContact O-OG 3Å; A13-R17 PolarHBondContact O-N 2.98Å |
| 14 | L | 69.5 | Low | 68.9 | Low | 110 Ų | 110 | 91.6 Ų | 91.6 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70.1 | -45.9 | 176.1 | -152.6 | 96.7 | 0 | 0 | 0 | 110.8 | L10 F11 S16 R17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 3.09Å; F11-L14 PolarHBondContact O-N 2.87Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.22Å; L14-R17 PolarHBondContact O-N 3.43Å; L14-L18 HydrophobicContact CD2-CD1 4.17Å; L14-L18 HydrophobicContact CG-CD1 4.4Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.15Å; L14-L18 VanDerWaalsContact O-N 3.13Å |
| 15 | I | 65.1 | Low | 69.1 | Low | 20 Ų | 20 | 89.6 Ų | 89.6 | 10% | 0.103 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.5 | -63.1 | 173.7 | 0 | 0 | 0 | 109.6 | F11 R17 L18 V19 P147 L151 | F11-I15 HydrophobicContact CD1-CD1 3.64Å; F11-I15 HydrophobicContact CE1-CD1 3.26Å; F11-I15 HydrophobicContact CE1-CG1 4.33Å; F11-I15 HydrophobicContact CE2-CD1 4.27Å; F11-I15 HydrophobicContact CG-CD1 4.31Å; F11-I15 HydrophobicContact CZ-CD1 3.61Å; F11-I15 HydrophobicContact CZ-CG1 4.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.43Å; F11-I15 PolarHBondContact O-N 2.84Å; I15-R17 PolarHBondContact O-N 3.28Å; I15-L18 PolarHBondContact O-N 2.97Å; I15-L18 VanDerWaalsContact O-N 3.08Å; I15-V19 HydrophobicContact CG2-CG2 4.21Å; I15-V19 WeakPolarHBondContact O-CG2 3.43Å; I15-V19 PolarHBondContact O-N 2.95Å; I15-V19 VanDerWaalsContact O-N 3.17Å; I15-P147 HydrophobicContact CB-CB 4.5Å; I15-P147 HydrophobicContact CG2-CB 3.48Å; I15-P147 VanDerWaalsContact CG2-CB 3.48Å; I15-L151 HydrophobicContact CD1-CD1 4.47Å; I15-L151 HydrophobicContact CG2-CD1 3.95Å |
| 16 | S | 60.4 | Low | 69.6 | Low | 37 Ų | 37 | 84.3 Ų | 84.3 | 26% | 0.259 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -27.9 | -178.6 | 73.9 | 0 | 0 | 0 | 0 | 114.1 | F12 A13 L14 H143 | F12-S16 WeakPolarHBondContact O-CB 3.37Å; F12-S16 PolarHBondContact O-N 2.9Å; F12-S16 PolarHBondContact O-OG 3.25Å; A13-S16 PolarHBondContact O-OG 3Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.22Å; S16-H143 WeakPolarHBondContact CB-O 3.44Å |
| 17 | R | 61.4 | Low | 69.9 | Low | 224 Ų | 224 | 82.1 Ų | 82.1 | 85% | 0.845 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -78.5 | -31.1 | 173.2 | -79.4 | -171.7 | 171 | -160.7 | -1.4 | 113.9 | A13 L14 I15 | A13-R17 PolarHBondContact O-N 2.98Å; L14-R17 PolarHBondContact O-N 3.43Å; I15-R17 PolarHBondContact O-N 3.28Å |
| 18 | L | 55.3 | Low | 70.4 | Confident | 130 Ų | 130 | 82.6 Ų | 82.6 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -78.6 | -26.4 | -178.1 | -76.5 | 165 | 0 | 0 | 0 | 112.6 | L14 I15 V20 | L14-L18 HydrophobicContact CD2-CD1 4.17Å; L14-L18 HydrophobicContact CG-CD1 4.4Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.15Å; L14-L18 VanDerWaalsContact O-N 3.13Å; I15-L18 PolarHBondContact O-N 2.97Å; I15-L18 VanDerWaalsContact O-N 3.08Å; L18-V20 PolarHBondContact O-N 3.29Å |
| 19 | V | 50.6 | Low | 71 | Confident | 25 Ų | 25 | 82.4 Ų | 82.4 | 15% | 0.152 | 42% | 0.416 | C | S | . | . | trans | -93.9 | 103.2 | -178.9 | -157.6 | 0 | 0 | 0 | 0 | 110.6 | I15 I21 P147 H150 | I15-V19 HydrophobicContact CG2-CG2 4.21Å; I15-V19 WeakPolarHBondContact O-CG2 3.43Å; I15-V19 PolarHBondContact O-N 2.95Å; I15-V19 VanDerWaalsContact O-N 3.17Å; V19-I21 HydrophobicContact CB-CD1 3.82Å; V19-I21 HydrophobicContact CB-CG1 3.92Å; V19-I21 HydrophobicContact CG1-CD1 3.36Å; V19-I21 HydrophobicContact CG1-CG1 3.25Å; V19-I21 PolarHBondContact O-N 2.88Å; V19-P147 HydrophobicContact CB-CB 4.26Å; V19-P147 HydrophobicContact CG2-CB 3.89Å; V19-H150 HydrophobicContact CG1-CB 3.99Å; V19-H150 WeakPolarHBondContact CG1-CD2 3.48Å | ||
| 20 | V | 48.7 | Very low | 71.9 | Confident | 131 Ų | 131 | 82 Ų | 82 | 79% | 0.794 | 41% | 0.411 | S | S | * | . | trans | -79.9 | 107.2 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | L18 | L18-V20 PolarHBondContact O-N 3.29Š| ||
| 21 | I | 52.7 | Low | 72.7 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | trans | -120.8 | 122.4 | -172.2 | -50.8 | 173.8 | 0 | 0 | 0 | 110.6 | V19 K25 L146 H150 | V19-I21 HydrophobicContact CB-CD1 3.82Å; V19-I21 HydrophobicContact CB-CG1 3.92Å; V19-I21 HydrophobicContact CG1-CD1 3.36Å; V19-I21 HydrophobicContact CG1-CG1 3.25Å; V19-I21 PolarHBondContact O-N 2.88Å; I21-K25 WeakPolarHBondContact CG2-O 3.18Å; I21-L146 HydrophobicContact CB-CD2 3.98Å; I21-L146 HydrophobicContact CD1-CB 4.36Å; I21-L146 HydrophobicContact CD1-CD1 4.35Å; I21-L146 HydrophobicContact CD1-CD2 3.69Å; I21-L146 HydrophobicContact CD1-CG 3.46Å; I21-L146 VanDerWaalsContact CD1-CG 3.46Å; I21-L146 HydrophobicContact CG1-CD2 4.43Å; I21-L146 HydrophobicContact CG2-CD1 4.22Å; I21-L146 HydrophobicContact CG2-CD2 3.63Å; I21-L146 HydrophobicContact CG2-CG 4.08Å; I21-H150 HydrophobicContact CD1-CB 4.34Å | ||
| 22 | H | 53.7 | Low | 73.6 | Confident | 148 Ų | 148 | 73.9 Ų | 73.9 | 69% | 0.685 | 38% | 0.377 | S | S | * | . | trans | -87.8 | 121.1 | 172.7 | -75.5 | -47.7 | 0 | 0 | 0 | 110.4 | G24 K25 | H22-G24 PolarHBondContact O-N 3.02Å; H22-K25 WeakPolarHBondContact O-CB 3.44Å; H22-K25 PolarHBondContact O-N 3.49Å; H22-K25 VanDerWaalsContact O-N 3.12Å | ||
| 23 | N | 66 | Low | 74.9 | Confident | 160 Ų | 160 | 70.7 Ų | 70.7 | 86% | 0.856 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.9 | 73.5 | 164.1 | -72 | -7.9 | 0 | 0 | 0 | 115.5 | K25 | N23-K25 PolarHBondContact O-N 2.95Š|
| 24 | G | 75.9 | Confident | 76.1 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | -5.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | H22 I26 S133 S134 | H22-G24 PolarHBondContact O-N 3.02Å; G24-I26 PolarHBondContact O-N 3.43Å; G24-I26 VanDerWaalsContact O-N 3.15Å; G24-S133 CarbonylContact O-C 3.51Å; G24-S133 VanDerWaalsContact O-CA 3.28Å; G24-S133 WeakPolarHBondContact O-CA 3.37Å; G24-S134 PolarHBondContact O-N 2.88Å |
| 25 | K | 86.4 | Confident | 77.4 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 110.2 | 178.3 | -171.4 | 178.6 | -175.9 | 175.4 | 0 | 110.8 | I21 H22 N23 Q28 T131 | I21-K25 WeakPolarHBondContact CG2-O 3.18Å; H22-K25 WeakPolarHBondContact O-CB 3.44Å; H22-K25 PolarHBondContact O-N 3.49Å; H22-K25 VanDerWaalsContact O-N 3.12Å; N23-K25 PolarHBondContact O-N 2.95Å; K25-Q28 VanDerWaalsContact CE-CB 3.45Å; K25-T131 HydrophobicContact CD-CG2 4.36Å; K25-T131 HydrophobicContact CG-CG2 4.06Å |
| 26 | I | 88.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -40.8 | 179.7 | -54.7 | -177.7 | 0 | 0 | 0 | 110.3 | G24 L110 I132 L146 A149 H150 Y153 | G24-I26 PolarHBondContact O-N 3.43Å; G24-I26 VanDerWaalsContact O-N 3.15Å; I26-L110 HydrophobicContact CD1-CD1 4.44Å; I26-I132 WeakPolarHBondContact CA-O 3.45Å; I26-I132 HydrophobicContact CB-CB 4.44Å; I26-I132 HydrophobicContact CB-CG2 4.09Å; I26-I132 HydrophobicContact CD1-CG2 4.11Å; I26-I132 HydrophobicContact CG1-CG2 4.47Å; I26-I132 PolarHBondContact N-O 3.47Å; I26-L146 HydrophobicContact CG1-CD1 3.97Å; I26-A149 HydrophobicContact CD1-CB 4.46Å; I26-A149 HydrophobicContact CG2-CB 3.89Å; I26-A149 WeakPolarHBondContact CG2-O 3.42Å; I26-H150 WeakPolarHBondContact O-CA 3.36Å; I26-H150 PolarHBondContact O-ND1 3.36Å; I26-Y153 HydrophobicContact CD1-CD2 4.34Å; I26-Y153 HydrophobicContact CD1-CE2 4.31Å; I26-Y153 HydrophobicContact CG2-CD2 3.55Å; I26-Y153 HydrophobicContact CG2-CE2 4.47Å; I26-Y153 HydrophobicContact CG2-CG 3.88Å |
| 27 | G | 90.3 | Very high | 80.7 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 158.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T131 I132 | G27-T131 WeakPolarHBondContact O-CA 3.39Å; G27-I132 PolarHBondContact N-O 3.28Å; G27-I132 PolarHBondContact O-N 3.49Å |
| 28 | Q | 94.1 | Very high | 82.3 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 132.6 | 172 | -179.8 | -166.6 | -81.7 | 0 | 0 | 109.4 | K25 K129 L130 T131 | K25-Q28 VanDerWaalsContact CE-CB 3.45Å; Q28-K129 HydrophobicContact CG-CG 4.21Å; Q28-K129 VanDerWaalsContact NE2-CE 3.31Å; Q28-K129 VanDerWaalsContact OE1-NZ 3.15Å; Q28-L130 WeakPolarHBondContact CA-O 3.43Å; Q28-T131 HydrophobicContact CB-CG2 4.45Å |
| 29 | K | 95.9 | Very high | 84.3 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.5 | 172 | -63.3 | -67.4 | -179 | 179.4 | 0 | 109.5 | K129 L130 L157 L161 | K29-K129 WeakPolarHBondContact O-CA 3.03Å; K29-L130 PolarHBondContact N-O 2.81Å; K29-L130 PolarHBondContact O-N 2.68Å; K29-L157 HydrophobicContact CB-CB 4.32Å; K29-L157 HydrophobicContact CG-CB 3.8Å; K29-L157 HydrophobicContact CG-CD1 4.42Å; K29-L161 VanDerWaalsContact C-CD1 3.49Å; K29-L161 HydrophobicContact CB-CD1 3.4Å; K29-L161 VanDerWaalsContact CB-CD1 3.4Å; K29-L161 HydrophobicContact CB-CG 4.44Å |
| 30 | E | 96.9 | Very high | 86.5 | Confident | 99 Ų | 99 | 58.6 Ų | 58.6 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.8 | 173.5 | 64.7 | -177.8 | -129.9 | 0 | 0 | 110.7 | R127 M128 K129 | E30-R127 IonicContact OE1-CZ 3.74Å; E30-R127 IonicContact OE1-NH1 2.89Å; E30-R127 PolarHBondContact OE1-NH1 3.21Å; E30-M128 CarbonylContact C-O 3.15Å; E30-M128 WeakPolarHBondContact CA-O 3.49Å; E30-K129 HydrophobicContact CB-CB 4.07Å; E30-K129 HydrophobicContact CB-CG 4.29Å |
| 31 | V | 97.1 | Very high | 88.7 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149.3 | 178.9 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | I33 R127 M128 L161 Q165 | V31-I33 HydrophobicContact CG1-CD1 3.84Å; V31-I33 HydrophobicContact CG1-CG1 3.96Å; V31-R127 WeakPolarHBondContact O-CA 3.32Å; V31-M128 HydrophobicContact CG1-CB 4.3Å; V31-M128 HydrophobicContact CG1-CE 4.26Å; V31-M128 PolarHBondContact N-O 3.12Å; V31-M128 PolarHBondContact O-N 2.77Å; V31-L161 HydrophobicContact CB-CB 4.07Å; V31-L161 HydrophobicContact CB-CD1 4.22Å; V31-L161 HydrophobicContact CG1-CB 3.94Å; V31-L161 HydrophobicContact CG1-CD1 4.19Å; V31-L161 HydrophobicContact CG1-CD2 4.03Å; V31-L161 HydrophobicContact CG1-CG 4.29Å; V31-Q165 HydrophobicContact CG2-CB 3.92Å; V31-Q165 HydrophobicContact CG2-CG 4.11Å |
| 32 | V | 96.8 | Very high | 90.7 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 38% | 0.376 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.2 | 171.5 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | I121 S126 R127 Q165 | V32-I121 HydrophobicContact CB-CD1 4.14Å; V32-I121 HydrophobicContact CG1-CD1 3.43Å; V32-I121 VanDerWaalsContact CG1-CD1 3.43Å; V32-I121 HydrophobicContact CG2-CD1 3.67Å; V32-S126 WeakPolarHBondContact CA-O 3.3Å; V32-R127 HydrophobicContact CG2-CG 4.45Å; V32-Q165 PolarHBondContact O-NE2 2.93Å |
| 33 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.7 | -175.5 | -50.3 | 125.9 | 0 | 0 | 0 | 108.1 | V31 I35 K125 S126 M128 F164 S169 | V31-I33 HydrophobicContact CG1-CD1 3.84Å; V31-I33 HydrophobicContact CG1-CG1 3.96Å; I33-I35 HydrophobicContact CB-CG1 4.25Å; I33-I35 HydrophobicContact CG2-CD1 3.82Å; I33-I35 HydrophobicContact CG2-CG1 3.7Å; I33-I35 HydrophobicContact CG2-CG2 4.49Å; I33-I35 PolarHBondContact O-N 3.49Å; I33-K125 WeakPolarHBondContact O-CA 3.29Å; I33-S126 PolarHBondContact N-O 2.66Å; I33-S126 PolarHBondContact O-N 3.18Å; I33-M128 HydrophobicContact CD1-CB 3.59Å; I33-M128 HydrophobicContact CD1-CE 4.44Å; I33-F164 HydrophobicContact CD1-CD1 3.73Å; I33-F164 HydrophobicContact CD1-CE1 3.54Å; I33-F164 HydrophobicContact CG1-CD1 3.86Å; I33-F164 HydrophobicContact CG1-CE1 3.96Å; I33-F164 HydrophobicContact CG2-CD1 4.45Å; I33-F164 HydrophobicContact CG2-CE1 4.22Å; I33-S169 WeakPolarHBondContact CG2-OG 3.5Å |
| 34 | S | 96.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -81.5 | 44.5 | -178.9 | -54.8 | 0 | 0 | 0 | 0 | 113 | E124 | S34-E124 CarbonylContact C-O 3.58Š|
| 35 | I | 96.8 | Very high | 95 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -133.3 | 157.2 | 173.5 | 63.4 | -173.4 | 0 | 0 | 0 | 110.8 | I33 E39 C40 E124 K125 S126 F164 Y168 | I33-I35 HydrophobicContact CB-CG1 4.25Å; I33-I35 HydrophobicContact CG2-CD1 3.82Å; I33-I35 HydrophobicContact CG2-CG1 3.7Å; I33-I35 HydrophobicContact CG2-CG2 4.49Å; I33-I35 PolarHBondContact O-N 3.49Å; I35-E39 HydrophobicContact CB-CB 4.11Å; I35-E39 HydrophobicContact CD1-CB 4.23Å; I35-E39 HydrophobicContact CG1-CB 4.37Å; I35-C40 HydrophobicContact CD1-CB 3.84Å; I35-C40 HydrophobicContact CG1-CB 3.97Å; I35-E124 CarbonylContact C-O 3.52Å; I35-E124 VanDerWaalsContact CA-O 3.25Å; I35-E124 WeakPolarHBondContact CA-O 3.34Å; I35-E124 PolarHBondContact N-O 2.88Å; I35-K125 CarbonylContact O-C 3.49Å; I35-K125 WeakPolarHBondContact O-CA 3.29Å; I35-S126 WeakPolarHBondContact O-CB 3.49Å; I35-S126 PolarHBondContact O-N 3.39Å; I35-S126 VanDerWaalsContact O-N 3.09Å; I35-S126 PolarHBondContact O-OG 2.88Å; I35-F164 HydrophobicContact CD1-CE1 4.41Å; I35-Y168 WeakPolarHBondContact CG2-O 2.91Å |
| 36 | S | 97.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 42 Ų | 42 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | trans | -60.2 | 157.1 | 175.9 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | N38 E39 C40 Q123 | S36-N38 PolarHBondContact O-N 3.46Å; S36-E39 PolarHBondContact N-OE2 2.88Å; S36-E39 VanDerWaalsContact N-OE2 3.16Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact OG-CG 3.32Å; S36-E39 PolarHBondContact OG-N 3.42Å; S36-E39 PolarHBondContact OG-OE2 3.4Å; S36-C40 PolarHBondContact O-N 3.14Å; S36-Q123 WeakPolarHBondContact CB-O 3.26Å | ||
| 37 | I | 97 | Very high | 95.5 | Very high | 37 Ų | 37 | 42 Ų | 42 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -35.5 | 177.5 | -164.6 | 175 | 0 | 0 | 0 | 112.3 | Y41 N99 I118 | I37-Y41 VanDerWaalsContact O-CB 3.24Å; I37-Y41 WeakPolarHBondContact O-CB 3Å; I37-Y41 PolarHBondContact O-N 2.96Å; I37-N99 HydrophobicContact CD1-CB 4.29Å; I37-N99 WeakPolarHBondContact CD1-O 3.24Å; I37-N99 HydrophobicContact CG1-CB 4.3Å; I37-I118 HydrophobicContact CG1-CG2 3.83Å |
| 38 | N | 96.2 | Very high | 95.7 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 179.8 | -69.4 | -11.7 | 0 | 0 | 0 | 111.3 | S36 Y41 H42 N99 | S36-N38 PolarHBondContact O-N 3.46Å; N38-Y41 PolarHBondContact O-N 3.34Å; N38-H42 WeakPolarHBondContact O-CB 3.42Å; N38-H42 PolarHBondContact O-N 2.93Å; N38-N99 PolarHBondContact OD1-ND2 3.47Å; N38-N99 PolarHBondContact OD1-OD1 3.32Å |
| 39 | E | 96.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.5 | -44.6 | 177.4 | -72.5 | 165.6 | 138.4 | 0 | 0 | 111.2 | I35 S36 Y41 H42 H43 | I35-E39 HydrophobicContact CB-CB 4.11Å; I35-E39 HydrophobicContact CD1-CB 4.23Å; I35-E39 HydrophobicContact CG1-CB 4.37Å; S36-E39 PolarHBondContact N-OE2 2.88Å; S36-E39 VanDerWaalsContact N-OE2 3.16Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact OG-CG 3.32Å; S36-E39 PolarHBondContact OG-N 3.42Å; S36-E39 PolarHBondContact OG-OE2 3.4Å; E39-Y41 VanDerWaalsContact C-N 3.3Å; E39-Y41 PolarHBondContact O-N 3.01Å; E39-H42 PolarHBondContact O-N 2.89Å; E39-H43 PolarHBondContact O-CD2 2.85Å; E39-H43 PolarHBondContact O-N 3.43Å |
| 40 | C | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 175.1 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | I35 S36 H42 H43 V44 I118 S126 | I35-C40 HydrophobicContact CD1-CB 3.84Å; I35-C40 HydrophobicContact CG1-CB 3.97Å; S36-C40 PolarHBondContact O-N 3.14Å; C40-H42 VanDerWaalsContact C-N 3.35Å; C40-H42 PolarHBondContact O-N 2.81Å; C40-H43 PolarHBondContact O-N 3.5Å; C40-V44 VanDerWaalsContact O-CG2 3.28Å; C40-V44 WeakPolarHBondContact O-CG2 3.35Å; C40-V44 PolarHBondContact O-N 2.8Å; C40-I118 HydrophobicContact CB-CG2 4.07Å; C40-S126 WeakPolarHBondContact CB-OG 3.28Å |
| 41 | Y | 95.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 37 Ų | 37 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.9 | -176.4 | -97.8 | 0 | 0 | 0 | 111.8 | I37 N38 E39 H43 V44 T45 V96 E97 P98 N99 I118 | I37-Y41 VanDerWaalsContact O-CB 3.24Å; I37-Y41 WeakPolarHBondContact O-CB 3Å; I37-Y41 PolarHBondContact O-N 2.96Å; N38-Y41 PolarHBondContact O-N 3.34Å; E39-Y41 VanDerWaalsContact C-N 3.3Å; E39-Y41 PolarHBondContact O-N 3.01Å; Y41-H43 VanDerWaalsContact C-N 3.34Å; Y41-H43 PolarHBondContact O-N 3.02Å; Y41-V44 PolarHBondContact O-N 3.38Å; Y41-T45 HydrophobicContact CD1-CG2 4.13Å; Y41-T45 HydrophobicContact CD2-CG2 4.03Å; Y41-T45 HydrophobicContact CE1-CG2 3.7Å; Y41-T45 HydrophobicContact CE2-CG2 3.59Å; Y41-T45 HydrophobicContact CG-CG2 4.28Å; Y41-T45 VanDerWaalsContact CZ-CG2 3.4Å; Y41-T45 WeakPolarHBondContact O-CB 3.41Å; Y41-T45 WeakPolarHBondContact O-CG2 3.38Å; Y41-T45 PolarHBondContact O-N 3.18Å; Y41-T45 PolarHBondContact O-OG1 2.7Å; Y41-V96 VanDerWaalsContact OH-CG1 3.25Å; Y41-V96 WeakPolarHBondContact OH-CG1 3.44Å; Y41-E97 VanDerWaalsContact CE2-O 3.24Å; Y41-E97 WeakPolarHBondContact CE2-O 3.39Å; Y41-P98 WeakPolarHBondContact OH-CA 3.48Å; Y41-N99 WeakPolarHBondContact CB-OD1 3.42Å; Y41-N99 VanDerWaalsContact CD2-N 3.27Å; Y41-I118 HydrophobicContact CD2-CD1 3.96Å; Y41-I118 HydrophobicContact CG-CD1 4.47Å |
| 42 | H | 94.9 | Very high | 95.6 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 178.4 | -174.5 | 54 | 0 | 0 | 0 | 112.3 | N38 E39 C40 N46 | N38-H42 WeakPolarHBondContact O-CB 3.42Å; N38-H42 PolarHBondContact O-N 2.93Å; E39-H42 PolarHBondContact O-N 2.89Å; C40-H42 VanDerWaalsContact C-N 3.35Å; C40-H42 PolarHBondContact O-N 2.81Å; H42-N46 WeakPolarHBondContact O-CB 3.42Å; H42-N46 PolarHBondContact O-N 2.83Å |
| 43 | H | 95.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.6 | -66.8 | -47.9 | 0 | 0 | 0 | 112.4 | E39 C40 Y41 T45 N46 T49 F164 Y168 | E39-H43 PolarHBondContact O-CD2 2.85Å; E39-H43 PolarHBondContact O-N 3.43Å; C40-H43 PolarHBondContact O-N 3.5Å; Y41-H43 VanDerWaalsContact C-N 3.34Å; Y41-H43 PolarHBondContact O-N 3.02Å; H43-T45 PolarHBondContact O-N 3.13Å; H43-N46 PolarHBondContact O-N 3.07Å; H43-T49 PolarHBondContact O-OG1 2.99Å; H43-F164 HydrophobicContact CB-CE2 3.94Å; H43-F164 HydrophobicContact CB-CZ 3.9Å; H43-Y168 HydrophobicContact CB-CE2 4.26Å; H43-Y168 AromaticContact CD2-CD1 3.77Å; H43-Y168 AromaticContact CD2-CG 3.95Å; H43-Y168 AromaticContact CE1-CD1 3.87Å; H43-Y168 AromaticContact CE1-CE1 3.67Å; H43-Y168 AromaticContact CG-CE1 3.91Å; H43-Y168 AromaticContact CG-CZ 3.99Å; H43-Y168 AromaticContact ND1-CE1 3.68Å; H43-Y168 AromaticContact ND1-CZ 3.97Å; H43-Y168 AromaticContact NE2-CD1 3.61Å; H43-Y168 AromaticContact NE2-CE1 3.89Å |
| 44 | V | 95 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 179.8 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | C40 Y41 N46 Y50 F102 F116 I118 M128 F164 | C40-V44 VanDerWaalsContact O-CG2 3.28Å; C40-V44 WeakPolarHBondContact O-CG2 3.35Å; C40-V44 PolarHBondContact O-N 2.8Å; Y41-V44 PolarHBondContact O-N 3.38Å; V44-N46 VanDerWaalsContact C-N 3.32Å; V44-Y50 VanDerWaalsContact O-CE1 3.28Å; V44-Y50 WeakPolarHBondContact O-CE1 3.09Å; V44-Y50 PolarHBondContact O-OH 3.13Å; V44-F102 HydrophobicContact CG1-CB 4.33Å; V44-F102 HydrophobicContact CG1-CD1 3.96Å; V44-F116 HydrophobicContact CG1-CB 3.78Å; V44-F116 HydrophobicContact CG1-CD1 3.47Å; V44-F116 VanDerWaalsContact CG1-CD1 3.47Å; V44-F116 HydrophobicContact CG1-CD2 4.04Å; V44-F116 HydrophobicContact CG1-CE1 4.02Å; V44-F116 HydrophobicContact CG1-CG 3.48Å; V44-F116 VanDerWaalsContact CG1-CG 3.48Å; V44-F116 HydrophobicContact CG2-CD1 4.22Å; V44-I118 HydrophobicContact CB-CD1 4.1Å; V44-I118 HydrophobicContact CG1-CD1 4.37Å; V44-I118 HydrophobicContact CG2-CD1 3.99Å; V44-M128 HydrophobicContact CG2-SD 3.29Å; V44-M128 WeakPolarHBondContact CG2-SD 3.44Å; V44-F164 HydrophobicContact CG2-CE2 4.12Å; V44-F164 HydrophobicContact CG2-CZ 4.17Å |
| 45 | T | 94.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.4 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | Y41 H43 P47 L69 F102 | Y41-T45 HydrophobicContact CD1-CG2 4.13Å; Y41-T45 HydrophobicContact CD2-CG2 4.03Å; Y41-T45 HydrophobicContact CE1-CG2 3.7Å; Y41-T45 HydrophobicContact CE2-CG2 3.59Å; Y41-T45 HydrophobicContact CG-CG2 4.28Å; Y41-T45 VanDerWaalsContact CZ-CG2 3.4Å; Y41-T45 WeakPolarHBondContact O-CB 3.41Å; Y41-T45 WeakPolarHBondContact O-CG2 3.38Å; Y41-T45 PolarHBondContact O-N 3.18Å; Y41-T45 PolarHBondContact O-OG1 2.7Å; H43-T45 PolarHBondContact O-N 3.13Å; T45-P47 VanDerWaalsContact O-CD 3.28Å; T45-P47 WeakPolarHBondContact O-CD 3.43Å; T45-L69 WeakPolarHBondContact O-CD1 3.39Å; T45-F102 HydrophobicContact CG2-CB 3.89Å; T45-F102 HydrophobicContact CG2-CD1 4.34Å; T45-F102 HydrophobicContact CG2-CD2 3.75Å; T45-F102 HydrophobicContact CG2-CE2 4.34Å; T45-F102 HydrophobicContact CG2-CG 3.73Å |
| 46 | N | 93.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 16% | 0.16 | 20% | 0.2 | C | C | . | . | trans | -110 | 95.5 | 172.6 | -176.6 | -7.2 | 0 | 0 | 0 | 109.8 | H42 H43 V44 H48 T49 | H42-N46 WeakPolarHBondContact O-CB 3.42Å; H42-N46 PolarHBondContact O-N 2.83Å; H43-N46 PolarHBondContact O-N 3.07Å; V44-N46 VanDerWaalsContact C-N 3.32Å; N46-H48 PolarHBondContact O-N 2.89Å; N46-H48 VanDerWaalsContact O-N 3.13Å; N46-H48 WeakPolarHBondContact OD1-CB 3.28Å; N46-H48 PolarHBondContact OD1-N 3.09Å; N46-T49 HydrophobicContact CB-CG2 3.92Å; N46-T49 WeakPolarHBondContact O-CB 3.37Å; N46-T49 WeakPolarHBondContact O-CG2 3.27Å; N46-T49 PolarHBondContact O-N 3.28Å; N46-T49 PolarHBondContact O-OG1 2.79Å | ||
| 47 | P | 94.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -53.9 | -32.7 | -179.6 | -30.9 | 37.8 | 0 | 0 | 0 | 113.7 | T45 T49 Y50 I60 L63 L69 F75 | T45-P47 VanDerWaalsContact O-CD 3.28Å; T45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-T49 PolarHBondContact O-N 2.96Å; P47-Y50 HydrophobicContact CB-CD2 4.41Å; P47-Y50 HydrophobicContact CB-CE2 4.25Å; P47-Y50 WeakPolarHBondContact O-CB 3.37Å; P47-Y50 VanDerWaalsContact O-CG 3.25Å; P47-Y50 PolarHBondContact O-N 2.74Å; P47-I60 HydrophobicContact CB-CB 4.39Å; P47-I60 HydrophobicContact CB-CG1 3.95Å; P47-I60 HydrophobicContact CB-CG2 3.83Å; P47-I60 WeakPolarHBondContact O-CG1 3.47Å; P47-L63 HydrophobicContact CB-CD2 4.33Å; P47-L63 HydrophobicContact CG-CD1 4.22Å; P47-L63 HydrophobicContact CG-CD2 4.22Å; P47-L69 HydrophobicContact CG-CD1 4.12Å; P47-L69 HydrophobicContact CG-CD2 4.49Å; P47-F75 HydrophobicContact CB-CD2 4.25Å; P47-F75 HydrophobicContact CB-CE2 4.13Å; P47-F75 HydrophobicContact CB-CZ 4.3Å; P47-F75 HydrophobicContact CG-CD1 4.19Å; P47-F75 HydrophobicContact CG-CE1 4.02Å; P47-F75 HydrophobicContact CG-CE2 4.43Å; P47-F75 HydrophobicContact CG-CG 4.47Å; P47-F75 HydrophobicContact CG-CZ 4.14Å |
| 48 | H | 93 | Very high | 95.1 | Very high | 89 Ų | 89 | 42.3 Ų | 42.3 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61.4 | -15.3 | 178.1 | -65.2 | -60.5 | 0 | 0 | 0 | 113.8 | N46 L63 | N46-H48 PolarHBondContact O-N 2.89Å; N46-H48 VanDerWaalsContact O-N 3.13Å; N46-H48 WeakPolarHBondContact OD1-CB 3.28Å; N46-H48 PolarHBondContact OD1-N 3.09Å; H48-L63 WeakPolarHBondContact NE2-CD2 3.32Å |
| 49 | T | 94.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -80.4 | -18.8 | 173.3 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | H43 N46 P47 R52 W53 Y168 | H43-T49 PolarHBondContact O-OG1 2.99Å; N46-T49 HydrophobicContact CB-CG2 3.92Å; N46-T49 WeakPolarHBondContact O-CB 3.37Å; N46-T49 WeakPolarHBondContact O-CG2 3.27Å; N46-T49 PolarHBondContact O-N 3.28Å; N46-T49 PolarHBondContact O-OG1 2.79Å; P47-T49 PolarHBondContact O-N 2.96Å; T49-R52 VanDerWaalsContact O-CB 3.29Å; T49-R52 WeakPolarHBondContact O-CB 3.45Å; T49-R52 PolarHBondContact O-N 3.43Å; T49-W53 PolarHBondContact O-NE1 2.89Å; T49-W53 PolarHBondContact OG1-NE1 2.96Å; T49-W53 VanDerWaalsContact OG1-NE1 3.15Å; T49-Y168 WeakPolarHBondContact CB-OH 3.41Å |
| 50 | Y | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | -169.3 | -69.4 | 7.1 | 0 | 0 | 0 | 113.6 | V44 P47 R52 W53 I54 I60 F75 M77 F102 F104 | V44-Y50 VanDerWaalsContact O-CE1 3.28Å; V44-Y50 WeakPolarHBondContact O-CE1 3.09Å; V44-Y50 PolarHBondContact O-OH 3.13Å; P47-Y50 HydrophobicContact CB-CD2 4.41Å; P47-Y50 HydrophobicContact CB-CE2 4.25Å; P47-Y50 WeakPolarHBondContact O-CB 3.37Å; P47-Y50 VanDerWaalsContact O-CG 3.25Å; P47-Y50 PolarHBondContact O-N 2.74Å; Y50-R52 PolarHBondContact O-N 3.22Å; Y50-W53 AromaticContact CD1-CE2 3.82Å; Y50-W53 AromaticContact CD1-CZ2 3.48Å; Y50-W53 HydrophobicContact CD1-CZ2 3.48Å; Y50-W53 VanDerWaalsContact CD1-CZ2 3.48Å; Y50-W53 AromaticContact CD1-NE1 3.78Å; Y50-W53 AromaticContact CE1-CZ2 3.63Å; Y50-W53 HydrophobicContact CE1-CZ2 3.63Å; Y50-W53 HydrophobicContact CG-CZ2 4.28Å; Y50-W53 PolarHBondContact O-N 3.06Å; Y50-W53 VanDerWaalsContact O-N 3.09Å; Y50-I54 HydrophobicContact CD1-CD1 4.28Å; Y50-I54 HydrophobicContact CD2-CD1 3.79Å; Y50-I54 HydrophobicContact CE2-CD1 4.46Å; Y50-I54 HydrophobicContact CG-CD1 3.68Å; Y50-I54 HydrophobicContact CG-CG1 4.46Å; Y50-I54 WeakPolarHBondContact O-CB 3.35Å; Y50-I54 PolarHBondContact O-N 2.87Å; Y50-I60 HydrophobicContact CD2-CD1 4.22Å; Y50-F75 HydrophobicContact CE2-CE2 4.39Å; Y50-F75 HydrophobicContact CE2-CZ 4.14Å; Y50-M77 HydrophobicContact CD2-CE 3.75Å; Y50-M77 HydrophobicContact CE2-CE 4Å; Y50-F102 VanDerWaalsContact OH-CE1 3.27Å; Y50-F102 WeakPolarHBondContact OH-CE1 3.2Å; Y50-F104 AromaticContact CE2-CE1 3.87Å; Y50-F104 HydrophobicContact CE2-CE1 3.87Å; Y50-F104 HydrophobicContact CE2-CZ 4.03Å |
| 51 | P | 96.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 40 Ų | 40 | 29% | 0.292 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57 | -22.1 | 176.1 | -24.7 | 33 | 0 | 0 | 0 | 114.6 | V57 | P51-V57 WeakPolarHBondContact CA-O 3.28Å; P51-V57 HydrophobicContact CG-CG1 4.06Å |
| 52 | R | 96.2 | Very high | 94.4 | Very high | 169 Ų | 169 | 44.9 Ų | 44.9 | 64% | 0.638 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.9 | -32.4 | -179.9 | -58.3 | -177.5 | -176.9 | 177.2 | 0.4 | 112.7 | T49 Y50 T167 | T49-R52 VanDerWaalsContact O-CB 3.29Å; T49-R52 WeakPolarHBondContact O-CB 3.45Å; T49-R52 PolarHBondContact O-N 3.43Å; Y50-R52 PolarHBondContact O-N 3.22Å; R52-T167 HydrophobicContact CB-CG2 4.46Å |
| 53 | W | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -128 | -13.4 | -169.6 | 62.9 | -91.6 | 0 | 0 | 0 | 114.6 | T49 Y50 P55 F116 C160 R163 F164 Y168 | T49-W53 PolarHBondContact O-NE1 2.89Å; T49-W53 PolarHBondContact OG1-NE1 2.96Å; T49-W53 VanDerWaalsContact OG1-NE1 3.15Å; Y50-W53 AromaticContact CD1-CE2 3.82Å; Y50-W53 AromaticContact CD1-CZ2 3.48Å; Y50-W53 HydrophobicContact CD1-CZ2 3.48Å; Y50-W53 VanDerWaalsContact CD1-CZ2 3.48Å; Y50-W53 AromaticContact CD1-NE1 3.78Å; Y50-W53 AromaticContact CE1-CZ2 3.63Å; Y50-W53 HydrophobicContact CE1-CZ2 3.63Å; Y50-W53 HydrophobicContact CG-CZ2 4.28Å; Y50-W53 PolarHBondContact O-N 3.06Å; Y50-W53 VanDerWaalsContact O-N 3.09Å; W53-P55 WeakPolarHBondContact O-CD 3.41Å; W53-F116 AromaticContact CH2-CE1 3.74Å; W53-F116 HydrophobicContact CH2-CE1 3.74Å; W53-F116 AromaticContact CH2-CZ 3.96Å; W53-F116 HydrophobicContact CH2-CZ 3.96Å; W53-F116 HydrophobicContact CZ3-CE1 4.45Å; W53-C160 HydrophobicContact CE3-CB 4.35Å; W53-C160 HydrophobicContact CZ3-CB 4.37Å; W53-C160 WeakPolarHBondContact O-CA 3.4Å; W53-R163 HydrophobicContact CB-CB 4.29Å; W53-R163 WeakPolarHBondContact O-CB 3.12Å; W53-F164 HydrophobicContact CB-CB 4.16Å; W53-F164 HydrophobicContact CB-CD2 4.36Å; W53-F164 HydrophobicContact CD2-CB 4.33Å; W53-F164 AromaticContact CD2-CD2 3.53Å; W53-F164 HydrophobicContact CD2-CD2 3.53Å; W53-F164 HydrophobicContact CD2-CE2 4.37Å; W53-F164 HydrophobicContact CD2-CG 4.42Å; W53-F164 AromaticContact CE2-CD2 3.75Å; W53-F164 HydrophobicContact CE3-CB 4.09Å; W53-F164 AromaticContact CE3-CD2 3.83Å; W53-F164 HydrophobicContact CE3-CD2 3.83Å; W53-F164 HydrophobicContact CE3-CG 4.44Å; W53-F164 HydrophobicContact CG-CB 4.38Å; W53-F164 AromaticContact CG-CD2 3.77Å; W53-F164 HydrophobicContact CG-CD2 3.77Å; W53-F164 HydrophobicContact CZ2-CD2 4.26Å; W53-F164 HydrophobicContact CZ2-CE2 4.45Å; W53-F164 HydrophobicContact CZ3-CD2 4.33Å; W53-Y168 AromaticContact CD1-CE2 3.87Å; W53-Y168 HydrophobicContact CG-CE2 4.35Å |
| 54 | I | 95.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -98.5 | 105.7 | 171.6 | -52.7 | -171.8 | 0 | 0 | 0 | 108.3 | Y50 S56 V57 W156 | Y50-I54 HydrophobicContact CD1-CD1 4.28Å; Y50-I54 HydrophobicContact CD2-CD1 3.79Å; Y50-I54 HydrophobicContact CE2-CD1 4.46Å; Y50-I54 HydrophobicContact CG-CD1 3.68Å; Y50-I54 HydrophobicContact CG-CG1 4.46Å; Y50-I54 WeakPolarHBondContact O-CB 3.35Å; Y50-I54 PolarHBondContact O-N 2.87Å; I54-S56 PolarHBondContact O-N 3.29Å; I54-V57 HydrophobicContact CB-CB 4.1Å; I54-V57 HydrophobicContact CB-CG2 3.78Å; I54-V57 HydrophobicContact CD1-CG2 4.4Å; I54-V57 HydrophobicContact CG2-CB 4.22Å; I54-V57 HydrophobicContact CG2-CG2 3.45Å; I54-V57 VanDerWaalsContact CG2-CG2 3.45Å; I54-V57 PolarHBondContact O-N 3.43Å; I54-W156 HydrophobicContact CG2-CH2 3.65Å; I54-W156 HydrophobicContact CG2-CZ2 3.17Å |
| 55 | P | 91.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.4 | -166.4 | -23.1 | 29.7 | 0 | 0 | 0 | 116.1 | W53 Q159 C160 | W53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-Q159 HydrophobicContact CG-CB 3.93Å; P55-C160 WeakPolarHBondContact CD-SG 3.49Å |
| 56 | S | 93.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.3 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | I54 V79 D80 W156 | I54-S56 PolarHBondContact O-N 3.29Å; S56-V79 CarbonylContact O-C 3.58Å; S56-V79 VanDerWaalsContact O-CA 3.25Å; S56-V79 WeakPolarHBondContact O-CA 3.4Å; S56-D80 WeakPolarHBondContact CB-O 3.2Å; S56-D80 PolarHBondContact O-N 2.8Å; S56-W156 PolarHBondContact OG-NE1 3.26Å |
| 57 | V | 96.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121 | -178.8 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | P51 I54 I60 M77 V78 V79 | P51-V57 WeakPolarHBondContact CA-O 3.28Å; P51-V57 HydrophobicContact CG-CG1 4.06Å; I54-V57 HydrophobicContact CB-CB 4.1Å; I54-V57 HydrophobicContact CB-CG2 3.78Å; I54-V57 HydrophobicContact CD1-CG2 4.4Å; I54-V57 HydrophobicContact CG2-CB 4.22Å; I54-V57 HydrophobicContact CG2-CG2 3.45Å; I54-V57 VanDerWaalsContact CG2-CG2 3.45Å; I54-V57 PolarHBondContact O-N 3.43Å; V57-I60 HydrophobicContact CG1-CD1 3.95Å; V57-M77 HydrophobicContact CG1-CG 3.93Å; V57-M77 HydrophobicContact CG2-CG 3.77Å; V57-M77 HydrophobicContact CG2-SD 3.5Å; V57-M77 WeakPolarHBondContact CG2-SD 3.33Å; V57-V78 WeakPolarHBondContact CA-O 3.35Å; V57-V79 HydrophobicContact CG2-CG2 4.43Å |
| 58 | L | 96.3 | Very high | 87.3 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -46.1 | 178.3 | -62.4 | -176.4 | 0 | 0 | 0 | 111.6 | V78 D80 T86 | L58-V78 HydrophobicContact CB-CG1 4.41Å; L58-V78 HydrophobicContact CD1-CG1 4.49Å; L58-V78 PolarHBondContact N-O 2.8Å; L58-D80 HydrophobicContact CD1-CB 3.97Å; L58-D80 HydrophobicContact CD2-CB 4.09Å; L58-D80 HydrophobicContact CG-CB 3.98Å; L58-T86 HydrophobicContact CD1-CG2 3.96Å |
| 59 | S | 96.3 | Very high | 86.9 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 158.1 | -177.5 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | E61 V78 | S59-E61 PolarHBondContact OG-OE1 2.93Å; S59-V78 PolarHBondContact O-N 2.88Å; S59-V78 VanDerWaalsContact OG-CB 3.32Å; S59-V78 WeakPolarHBondContact OG-CB 3.27Å; S59-V78 VanDerWaalsContact OG-CG2 3.28Å; S59-V78 WeakPolarHBondContact OG-CG2 3.28Å |
| 60 | I | 95.3 | Very high | 86.7 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.8 | 163 | -60.8 | -53.7 | 0 | 0 | 0 | 108.3 | P47 Y50 V57 L63 F75 V76 M77 | P47-I60 HydrophobicContact CB-CB 4.39Å; P47-I60 HydrophobicContact CB-CG1 3.95Å; P47-I60 HydrophobicContact CB-CG2 3.83Å; P47-I60 WeakPolarHBondContact O-CG1 3.47Å; Y50-I60 HydrophobicContact CD2-CD1 4.22Å; V57-I60 HydrophobicContact CG1-CD1 3.95Å; I60-L63 HydrophobicContact CG2-CB 4.44Å; I60-F75 HydrophobicContact CD1-CD2 4.08Å; I60-F75 HydrophobicContact CD1-CE2 3.98Å; I60-F75 HydrophobicContact CG2-CB 4.18Å; I60-F75 HydrophobicContact CG2-CD2 3.77Å; I60-F75 HydrophobicContact CG2-CG 4.29Å; I60-V76 WeakPolarHBondContact CA-O 3.43Å; I60-M77 HydrophobicContact CD1-CB 4.03Å; I60-M77 HydrophobicContact CD1-CE 4.34Å; I60-M77 HydrophobicContact CD1-CG 3.81Å |
| 61 | E | 93.6 | Very high | 86.6 | Confident | 89 Ų | 89 | 68 Ų | 68 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 165 | -177 | -61.6 | 177.2 | -171.8 | 0 | 0 | 110.9 | S59 L63 V76 V78 | S59-E61 PolarHBondContact OG-OE1 2.93Å; E61-L63 PolarHBondContact O-N 3.36Å; E61-V76 HydrophobicContact CB-CB 4.1Å; E61-V76 PolarHBondContact N-O 2.9Å; E61-V76 PolarHBondContact O-N 3.49Å; E61-V78 HydrophobicContact CG-CG2 4.28Å; E61-V78 WeakPolarHBondContact OE1-CG2 3.24Å |
| 62 | N | 85.7 | Confident | 86.5 | Confident | 126 Ų | 126 | 67.6 Ų | 67.6 | 67% | 0.674 | 37% | 0.366 | S | S | * | . | trans | 56.3 | 20.5 | 175.3 | -61.9 | -19.9 | 0 | 0 | 0 | 116.1 | T64 V76 | N62-T64 PolarHBondContact O-N 3.04Å; N62-T64 VanDerWaalsContact O-N 3.16Å; N62-V76 HydrophobicContact CB-CG2 4.33Å | ||
| 63 | L | 80.2 | Confident | 86.3 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | trans | -77.8 | 101.3 | 174.2 | -162.5 | 75.5 | 0 | 0 | 0 | 109.9 | P47 H48 I60 E61 K65 L69 F75 | P47-L63 HydrophobicContact CB-CD2 4.33Å; P47-L63 HydrophobicContact CG-CD1 4.22Å; P47-L63 HydrophobicContact CG-CD2 4.22Å; H48-L63 WeakPolarHBondContact NE2-CD2 3.32Å; I60-L63 HydrophobicContact CG2-CB 4.44Å; E61-L63 PolarHBondContact O-N 3.36Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.19Å; L63-L69 HydrophobicContact CD1-CD2 3.78Å; L63-F75 HydrophobicContact CB-CB 4.43Å; L63-F75 HydrophobicContact CD1-CB 3.53Å; L63-F75 HydrophobicContact CD1-CD1 4.18Å; L63-F75 HydrophobicContact CD1-CG 4.08Å | ||
| 64 | T | 70.1 | Confident | 86.2 | Confident | 120 Ų | 120 | 65.8 Ų | 65.8 | 74% | 0.736 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -63.3 | -36.7 | -178.2 | 20 | 0 | 0 | 0 | 0 | 113.3 | N62 E73 | N62-T64 PolarHBondContact O-N 3.04Å; N62-T64 VanDerWaalsContact O-N 3.16Å; T64-E73 PolarHBondContact OG1-OE1 3.18Å |
| 65 | K | 64.8 | Low | 86.2 | Confident | 139 Ų | 139 | 65.6 Ų | 65.6 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | trans | -139.8 | 112.3 | -179.7 | -68 | -179.8 | -176.9 | 173.6 | 0 | 110.6 | L63 S67 | L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.19Å; K65-S67 PolarHBondContact O-N 2.89Å | ||
| 66 | S | 62.6 | Low | 86.4 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -75.8 | -20.7 | -179 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 67 | S | 65.4 | Low | 86.6 | Confident | 80 Ų | 80 | 64 Ų | 64 | 56% | 0.559 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -94.3 | -23.4 | -169.1 | 61.4 | 0 | 0 | 0 | 0 | 114.8 | K65 | K65-S67 PolarHBondContact O-N 2.89Š|
| 68 | H | 74.3 | Confident | 86.6 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | trans | -144.4 | 79.8 | -175.1 | -61.6 | -54.4 | 0 | 0 | 0 | 110.9 | T70 | H68-T70 PolarHBondContact O-N 3.16Š| ||
| 69 | L | 85.1 | Confident | 86.5 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -58.9 | 135.9 | 170.5 | -68.2 | 178.3 | 0 | 0 | 0 | 110.5 | T45 P47 L63 I93 F102 | T45-L69 WeakPolarHBondContact O-CD1 3.39Å; P47-L69 HydrophobicContact CG-CD1 4.12Å; P47-L69 HydrophobicContact CG-CD2 4.49Å; L63-L69 HydrophobicContact CD1-CD2 3.78Å; L69-I93 HydrophobicContact CB-CG1 4.49Å; L69-I93 HydrophobicContact CD1-CD1 4.05Å; L69-I93 HydrophobicContact CD2-CG1 4.42Å; L69-F102 HydrophobicContact CD1-CE2 3.53Å; L69-F102 HydrophobicContact CD1-CZ 3.54Å | ||
| 70 | T | 90 | Very high | 86.5 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | trans | -115.4 | 151.7 | 175 | 52 | 0 | 0 | 0 | 0 | 111.2 | H68 G72 E73 I93 | H68-T70 PolarHBondContact O-N 3.16Å; T70-G72 PolarHBondContact O-N 3.24Å; T70-E73 PolarHBondContact N-OE2 3.03Å; T70-E73 WeakPolarHBondContact O-CB 3.47Å; T70-E73 PolarHBondContact O-N 2.88Å; T70-E73 PolarHBondContact OG1-OE2 3.19Å; T70-I93 WeakPolarHBondContact O-CB 3.4Å | ||
| 71 | I | 94.2 | Very high | 86 | Confident | 118 Ų | 118 | 63 Ų | 63 | 61% | 0.605 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 133.3 | 176.2 | -63.5 | 173.6 | 0 | 0 | 0 | 108.9 | E73 V96 | I71-E73 VanDerWaalsContact C-N 3.28Å; I71-V96 HydrophobicContact CG1-CG2 4.37Å |
| 72 | G | 93 | Very high | 85.7 | Confident | 37 Ų | 37 | 61 Ų | 61 | 38% | 0.381 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -8.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T70 I93 | T70-G72 PolarHBondContact O-N 3.24Å; G72-I93 PolarHBondContact N-O 3.36Å |
| 73 | E | 93.3 | Very high | 85.4 | Confident | 25 Ų | 25 | 64 Ų | 64 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | trans | -65 | 148 | 170.5 | -168.8 | 165.5 | -174.7 | 0 | 0 | 110.4 | T64 T70 I71 I93 | T64-E73 PolarHBondContact OG1-OE1 3.18Å; T70-E73 PolarHBondContact N-OE2 3.03Å; T70-E73 WeakPolarHBondContact O-CB 3.47Å; T70-E73 PolarHBondContact O-N 2.88Å; T70-E73 PolarHBondContact OG1-OE2 3.19Å; I71-E73 VanDerWaalsContact C-N 3.28Å; E73-I93 HydrophobicContact CB-CG1 4.4Å; E73-I93 WeakPolarHBondContact O-CG1 3.41Å; E73-I93 PolarHBondContact O-N 2.91Å | ||
| 74 | E | 94.1 | Very high | 85.5 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148.3 | -176.4 | -69 | 178.6 | 170.7 | 0 | 0 | 110.9 | V90 A91 Q92 | E74-V90 HydrophobicContact CB-CG1 3.95Å; E74-V90 HydrophobicContact CG-CG1 3.93Å; E74-A91 CarbonylContact C-O 3.52Å; E74-A91 VanDerWaalsContact CA-O 3.24Å; E74-A91 WeakPolarHBondContact CA-O 3.47Å; E74-Q92 HydrophobicContact CG-CB 4.22Å; E74-Q92 HydrophobicContact CG-CG 4.26Å |
| 75 | F | 94.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.6 | 167.6 | 63.5 | -90.5 | 0 | 0 | 0 | 109.8 | P47 Y50 I60 L63 M77 A91 I93 F104 | P47-F75 HydrophobicContact CB-CD2 4.25Å; P47-F75 HydrophobicContact CB-CE2 4.13Å; P47-F75 HydrophobicContact CB-CZ 4.3Å; P47-F75 HydrophobicContact CG-CD1 4.19Å; P47-F75 HydrophobicContact CG-CE1 4.02Å; P47-F75 HydrophobicContact CG-CE2 4.43Å; P47-F75 HydrophobicContact CG-CG 4.47Å; P47-F75 HydrophobicContact CG-CZ 4.14Å; Y50-F75 HydrophobicContact CE2-CE2 4.39Å; Y50-F75 HydrophobicContact CE2-CZ 4.14Å; I60-F75 HydrophobicContact CD1-CD2 4.08Å; I60-F75 HydrophobicContact CD1-CE2 3.98Å; I60-F75 HydrophobicContact CG2-CB 4.18Å; I60-F75 HydrophobicContact CG2-CD2 3.77Å; I60-F75 HydrophobicContact CG2-CG 4.29Å; L63-F75 HydrophobicContact CB-CB 4.43Å; L63-F75 HydrophobicContact CD1-CB 3.53Å; L63-F75 HydrophobicContact CD1-CD1 4.18Å; L63-F75 HydrophobicContact CD1-CG 4.08Å; F75-M77 HydrophobicContact CE2-CB 4.41Å; F75-M77 HydrophobicContact CE2-CE 3.75Å; F75-M77 HydrophobicContact CZ-CE 4.21Å; F75-A91 HydrophobicContact CD1-CB 4Å; F75-A91 HydrophobicContact CD2-CB 3.79Å; F75-A91 HydrophobicContact CE1-CB 3.62Å; F75-A91 HydrophobicContact CE2-CB 3.42Å; F75-A91 VanDerWaalsContact CE2-CB 3.42Å; F75-A91 HydrophobicContact CG-CB 4.08Å; F75-A91 HydrophobicContact CZ-CB 3.33Å; F75-A91 PolarHBondContact N-O 3.07Å; F75-A91 PolarHBondContact O-N 2.94Å; F75-I93 HydrophobicContact CD1-CD1 4.16Å; F75-I93 HydrophobicContact CE1-CD1 3.62Å; F75-F104 HydrophobicContact CZ-CD2 4.36Å; F75-F104 HydrophobicContact CZ-CG 4.35Å |
| 76 | V | 95.9 | Very high | 88 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.4 | 178.1 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | I60 E61 N62 V78 Y89 | I60-V76 WeakPolarHBondContact CA-O 3.43Å; E61-V76 HydrophobicContact CB-CB 4.1Å; E61-V76 PolarHBondContact N-O 2.9Å; E61-V76 PolarHBondContact O-N 3.49Å; N62-V76 HydrophobicContact CB-CG2 4.33Å; V76-V78 HydrophobicContact CG1-CG2 4.37Å; V76-Y89 CarbonylContact C-O 3.52Å; V76-Y89 WeakPolarHBondContact CA-O 3.29Å |
| 77 | M | 96.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.9 | 173.4 | -169.9 | 178.9 | -61 | 0 | 0 | 109.2 | Y50 V57 I60 F75 V79 Y89 F104 L106 | Y50-M77 HydrophobicContact CD2-CE 3.75Å; Y50-M77 HydrophobicContact CE2-CE 4Å; V57-M77 HydrophobicContact CG1-CG 3.93Å; V57-M77 HydrophobicContact CG2-CG 3.77Å; V57-M77 HydrophobicContact CG2-SD 3.5Å; V57-M77 WeakPolarHBondContact CG2-SD 3.33Å; I60-M77 HydrophobicContact CD1-CB 4.03Å; I60-M77 HydrophobicContact CD1-CE 4.34Å; I60-M77 HydrophobicContact CD1-CG 3.81Å; F75-M77 HydrophobicContact CE2-CB 4.41Å; F75-M77 HydrophobicContact CE2-CE 3.75Å; F75-M77 HydrophobicContact CZ-CE 4.21Å; M77-V79 HydrophobicContact CB-CG2 4.5Å; M77-V79 HydrophobicContact CG-CG2 3.78Å; M77-V79 HydrophobicContact SD-CG2 4.09Å; M77-Y89 PolarHBondContact N-O 2.99Å; M77-Y89 PolarHBondContact O-N 2.83Å; M77-F104 HydrophobicContact CE-CE2 3.81Å; M77-F104 HydrophobicContact CE-CZ 3.84Å; M77-L106 HydrophobicContact CE-CD2 4.39Å |
| 78 | V | 97 | Very high | 90.9 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.7 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | V57 L58 S59 E61 V76 T86 M87 | V57-V78 WeakPolarHBondContact CA-O 3.35Å; L58-V78 HydrophobicContact CB-CG1 4.41Å; L58-V78 HydrophobicContact CD1-CG1 4.49Å; L58-V78 PolarHBondContact N-O 2.8Å; S59-V78 PolarHBondContact O-N 2.88Å; S59-V78 VanDerWaalsContact OG-CB 3.32Å; S59-V78 WeakPolarHBondContact OG-CB 3.27Å; S59-V78 VanDerWaalsContact OG-CG2 3.28Å; S59-V78 WeakPolarHBondContact OG-CG2 3.28Å; E61-V78 HydrophobicContact CG-CG2 4.28Å; E61-V78 WeakPolarHBondContact OE1-CG2 3.24Å; V76-V78 HydrophobicContact CG1-CG2 4.37Å; V78-T86 HydrophobicContact CG1-CG2 3.41Å; V78-T86 VanDerWaalsContact CG1-CG2 3.41Å; V78-M87 WeakPolarHBondContact CA-O 3.46Å |
| 79 | V | 95.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130 | -171.2 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | S56 V57 M77 Y81 T86 M87 Y89 | S56-V79 CarbonylContact O-C 3.58Å; S56-V79 VanDerWaalsContact O-CA 3.25Å; S56-V79 WeakPolarHBondContact O-CA 3.4Å; V57-V79 HydrophobicContact CG2-CG2 4.43Å; M77-V79 HydrophobicContact CB-CG2 4.5Å; M77-V79 HydrophobicContact CG-CG2 3.78Å; M77-V79 HydrophobicContact SD-CG2 4.09Å; V79-Y81 HydrophobicContact CB-CE2 4.13Å; V79-Y81 HydrophobicContact CG1-CD2 4.04Å; V79-Y81 HydrophobicContact CG1-CE1 4.38Å; V79-Y81 HydrophobicContact CG1-CE2 3.69Å; V79-T86 WeakPolarHBondContact O-CA 3.49Å; V79-M87 PolarHBondContact N-O 3.02Å; V79-M87 PolarHBondContact O-N 2.83Å; V79-Y89 HydrophobicContact CB-CD2 4.43Å; V79-Y89 HydrophobicContact CB-CE2 4.27Å; V79-Y89 HydrophobicContact CG2-CD2 4.05Å; V79-Y89 HydrophobicContact CG2-CE2 4.35Å |
| 80 | D | 94.3 | Very high | 92.5 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.4 | 169.3 | -174.6 | 16.2 | 0 | 0 | 0 | 111 | S56 L58 G82 | S56-D80 WeakPolarHBondContact CB-O 3.2Å; S56-D80 PolarHBondContact O-N 2.8Å; L58-D80 HydrophobicContact CD1-CB 3.97Å; L58-D80 HydrophobicContact CD2-CB 4.09Å; L58-D80 HydrophobicContact CG-CB 3.98Å; D80-G82 WeakPolarHBondContact OD1-CA 3.49Å; D80-G82 PolarHBondContact OD1-N 2.86Å |
| 81 | Y | 86.4 | Confident | 92.8 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | trans | -98.7 | 15.5 | 173.1 | -74.2 | -77.1 | 0 | 0 | 0 | 112.7 | V79 F83 G85 M87 Y89 | V79-Y81 HydrophobicContact CB-CE2 4.13Å; V79-Y81 HydrophobicContact CG1-CD2 4.04Å; V79-Y81 HydrophobicContact CG1-CE1 4.38Å; V79-Y81 HydrophobicContact CG1-CE2 3.69Å; Y81-F83 PolarHBondContact O-N 3.42Å; Y81-G85 PolarHBondContact N-O 2.88Å; Y81-G85 VanDerWaalsContact N-O 3.12Å; Y81-M87 HydrophobicContact CD2-CG 4.43Å; Y81-Y89 AromaticContact CE2-CE2 3.73Å; Y81-Y89 HydrophobicContact CE2-CE2 3.73Å; Y81-Y89 WeakPolarHBondContact CE2-OH 3.5Å | ||
| 82 | G | 85.6 | Confident | 92.8 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | 67.4 | -104.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D80 L84 G85 | D80-G82 WeakPolarHBondContact OD1-CA 3.49Å; D80-G82 PolarHBondContact OD1-N 2.86Å; G82-L84 PolarHBondContact O-N 2.99Å; G82-G85 PolarHBondContact O-N 3.06Å |
| 83 | F | 79.9 | Confident | 92.9 | Very high | 190 Ų | 190 | 51 Ų | 51 | 83% | 0.833 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -67.2 | -21 | -174.3 | 76.3 | -88 | 0 | 0 | 0 | 114.1 | Y81 G85 | Y81-F83 PolarHBondContact O-N 3.42Å; F83-G85 VanDerWaalsContact C-N 3.28Å |
| 84 | L | 82.9 | Confident | 93.1 | Very high | 103 Ų | 103 | 52.5 Ų | 52.5 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -83.3 | -8 | 174.5 | -64.9 | 173.9 | 0 | 0 | 0 | 112.6 | G82 | G82-L84 PolarHBondContact O-N 2.99Š|
| 85 | G | 91.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | trans | 82.2 | -169.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y81 G82 F83 | Y81-G85 PolarHBondContact N-O 2.88Å; Y81-G85 VanDerWaalsContact N-O 3.12Å; G82-G85 PolarHBondContact O-N 3.06Å; F83-G85 VanDerWaalsContact C-N 3.28Å | ||
| 86 | T | 95.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131 | 180 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | L58 V78 V79 | L58-T86 HydrophobicContact CD1-CG2 3.96Å; V78-T86 HydrophobicContact CG1-CG2 3.41Å; V78-T86 VanDerWaalsContact CG1-CG2 3.41Å; V79-T86 WeakPolarHBondContact O-CA 3.49Å |
| 87 | M | 94.6 | Very high | 93.2 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 41% | 0.414 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 152.9 | 178.8 | -62.9 | -66.6 | 173.9 | 0 | 0 | 109.7 | V78 V79 Y81 Y89 | V78-M87 WeakPolarHBondContact CA-O 3.46Å; V79-M87 PolarHBondContact N-O 3.02Å; V79-M87 PolarHBondContact O-N 2.83Å; Y81-M87 HydrophobicContact CD2-CG 4.43Å; M87-Y89 HydrophobicContact CB-CE2 3.6Å; M87-Y89 WeakPolarHBondContact CB-OH 3.25Å |
| 88 | S | 95.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.2 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 109 | ||
| 89 | Y | 95.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.3 | 177.6 | -59.1 | -76.6 | 0 | 0 | 0 | 110.3 | V76 M77 V79 Y81 M87 D107 D108 | V76-Y89 CarbonylContact C-O 3.52Å; V76-Y89 WeakPolarHBondContact CA-O 3.29Å; M77-Y89 PolarHBondContact N-O 2.99Å; M77-Y89 PolarHBondContact O-N 2.83Å; V79-Y89 HydrophobicContact CB-CD2 4.43Å; V79-Y89 HydrophobicContact CB-CE2 4.27Å; V79-Y89 HydrophobicContact CG2-CD2 4.05Å; V79-Y89 HydrophobicContact CG2-CE2 4.35Å; Y81-Y89 AromaticContact CE2-CE2 3.73Å; Y81-Y89 HydrophobicContact CE2-CE2 3.73Å; Y81-Y89 WeakPolarHBondContact CE2-OH 3.5Å; M87-Y89 HydrophobicContact CB-CE2 3.6Å; M87-Y89 WeakPolarHBondContact CB-OH 3.25Å; Y89-D107 VanDerWaalsContact CA-OD1 3.25Å; Y89-D107 WeakPolarHBondContact CA-OD1 3.46Å; Y89-D107 WeakPolarHBondContact CB-OD1 3.37Å; Y89-D108 HydrophobicContact CD1-CB 3.55Å; Y89-D108 HydrophobicContact CE1-CB 3.5Å; Y89-D108 HydrophobicContact CG-CB 4.37Å |
| 90 | V | 96.1 | Very high | 93 | Very high | 46 Ų | 46 | 64.2 Ų | 64.2 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | E74 L106 D107 | E74-V90 HydrophobicContact CB-CG1 3.95Å; E74-V90 HydrophobicContact CG-CG1 3.93Å; V90-L106 CarbonylContact O-C 3Å; V90-L106 WeakPolarHBondContact O-CA 3.46Å; V90-D107 HydrophobicContact CB-CB 4.28Å; V90-D107 WeakPolarHBondContact CB-OD2 3.38Å; V90-D107 WeakPolarHBondContact CG2-OD2 3.25Å; V90-D107 VanDerWaalsContact N-CG 3.29Å; V90-D107 PolarHBondContact N-OD1 2.99Å; V90-D107 PolarHBondContact N-OD2 3.07Å; V90-D107 PolarHBondContact O-N 3.22Å |
| 91 | A | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | E74 F75 F104 I105 L106 | E74-A91 CarbonylContact C-O 3.52Å; E74-A91 VanDerWaalsContact CA-O 3.24Å; E74-A91 WeakPolarHBondContact CA-O 3.47Å; F75-A91 HydrophobicContact CD1-CB 4Å; F75-A91 HydrophobicContact CD2-CB 3.79Å; F75-A91 HydrophobicContact CE1-CB 3.62Å; F75-A91 HydrophobicContact CE2-CB 3.42Å; F75-A91 VanDerWaalsContact CE2-CB 3.42Å; F75-A91 HydrophobicContact CG-CB 4.08Å; F75-A91 HydrophobicContact CZ-CB 3.33Å; F75-A91 PolarHBondContact N-O 3.07Å; F75-A91 PolarHBondContact O-N 2.94Å; A91-F104 HydrophobicContact CB-CD2 4.01Å; A91-I105 CarbonylContact C-O 3.6Å; A91-I105 VanDerWaalsContact CA-O 3.28Å; A91-I105 WeakPolarHBondContact CA-O 3.5Å; A91-L106 HydrophobicContact CB-CD2 3.57Å |
| 92 | Q | 95.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.4 | 177.1 | -174.7 | 179.8 | 42.5 | 0 | 0 | 110.7 | E74 L94 F104 I105 | E74-Q92 HydrophobicContact CG-CB 4.22Å; E74-Q92 HydrophobicContact CG-CG 4.26Å; Q92-L94 PolarHBondContact O-N 2.82Å; Q92-F104 CarbonylContact O-C 3.36Å; Q92-F104 WeakPolarHBondContact O-CA 3.42Å; Q92-F104 VanDerWaalsContact O-CB 3.3Å; Q92-F104 WeakPolarHBondContact O-CB 3.46Å; Q92-I105 HydrophobicContact CB-CG2 4.11Å; Q92-I105 PolarHBondContact N-O 2.85Å; Q92-I105 PolarHBondContact O-N 2.84Å |
| 93 | I | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126 | 176 | -56.1 | -51.1 | 0 | 0 | 0 | 110.7 | L69 T70 G72 E73 F75 V96 F102 F104 | L69-I93 HydrophobicContact CB-CG1 4.49Å; L69-I93 HydrophobicContact CD1-CD1 4.05Å; L69-I93 HydrophobicContact CD2-CG1 4.42Å; T70-I93 WeakPolarHBondContact O-CB 3.4Å; G72-I93 PolarHBondContact N-O 3.36Å; E73-I93 HydrophobicContact CB-CG1 4.4Å; E73-I93 WeakPolarHBondContact O-CG1 3.41Å; E73-I93 PolarHBondContact O-N 2.91Å; F75-I93 HydrophobicContact CD1-CD1 4.16Å; F75-I93 HydrophobicContact CE1-CD1 3.62Å; I93-V96 HydrophobicContact CG2-CG2 3.44Å; I93-V96 VanDerWaalsContact CG2-CG2 3.44Å; I93-F102 HydrophobicContact CD1-CE2 3.73Å; I93-F102 HydrophobicContact CD1-CZ 3.49Å; I93-F102 VanDerWaalsContact CD1-CZ 3.49Å; I93-F102 HydrophobicContact CG2-CE2 4.11Å; I93-F104 HydrophobicContact CD1-CB 3.97Å |
| 94 | L | 96 | Very high | 95 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -39 | 179.9 | -64.1 | -174 | 0 | 0 | 0 | 113 | Q92 S103 I105 R113 | Q92-L94 PolarHBondContact O-N 2.82Å; L94-S103 WeakPolarHBondContact CB-OG 3.18Å; L94-S103 PolarHBondContact N-O 2.69Å; L94-I105 HydrophobicContact CD1-CB 3.82Å; L94-I105 HydrophobicContact CD1-CG2 3.96Å; L94-I105 HydrophobicContact CD2-CG2 3.83Å; L94-I105 HydrophobicContact CG-CB 4.23Å; L94-I105 HydrophobicContact CG-CG2 3.93Å; L94-R113 HydrophobicContact CD1-CG 4.25Å |
| 95 | S | 96.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.2 | 177.5 | 81.7 | 0 | 0 | 0 | 0 | 112 | F102 S103 | S95-F102 WeakPolarHBondContact O-CA 3.22Å; S95-F102 WeakPolarHBondContact O-CD2 3.4Å; S95-S103 VanDerWaalsContact CB-OG 3.26Å; S95-S103 WeakPolarHBondContact CB-OG 3.18Å; S95-S103 PolarHBondContact N-O 3.36Å; S95-S103 PolarHBondContact N-OG 2.87Å; S95-S103 VanDerWaalsContact N-OG 3.11Å; S95-S103 PolarHBondContact O-N 2.91Å; S95-S103 PolarHBondContact OG-N 3.03Å; S95-S103 PolarHBondContact OG-OG 2.81Å |
| 96 | V | 94.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 100.4 | 174.4 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | Y41 I71 I93 F102 | Y41-V96 VanDerWaalsContact OH-CG1 3.25Å; Y41-V96 WeakPolarHBondContact OH-CG1 3.44Å; I71-V96 HydrophobicContact CG1-CG2 4.37Å; I93-V96 HydrophobicContact CG2-CG2 3.44Å; I93-V96 VanDerWaalsContact CG2-CG2 3.44Å; V96-F102 HydrophobicContact CG2-CD2 4.19Å; V96-F102 HydrophobicContact CG2-CE2 4.27Å |
| 97 | E | 95.5 | Very high | 95.7 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 106.1 | 174 | -67.1 | 177.6 | 170.9 | 0 | 0 | 108.7 | Y41 N99 T100 S101 | Y41-E97 VanDerWaalsContact CE2-O 3.24Å; Y41-E97 WeakPolarHBondContact CE2-O 3.39Å; E97-N99 PolarHBondContact O-N 2.96Å; E97-T100 PolarHBondContact O-N 2.8Å; E97-S101 WeakPolarHBondContact CB-OG 3.46Å; E97-S101 VanDerWaalsContact CD-OG 3.24Å; E97-S101 PolarHBondContact N-O 3.43Å; E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact OE2-OG 3.42Å |
| 98 | P | 94.2 | Very high | 95.5 | Very high | 92 Ų | 92 | 41.1 Ų | 41.1 | 60% | 0.597 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 128.5 | -175 | -31.7 | 36.7 | 0 | 0 | 0 | 113.3 | Y41 T100 | Y41-P98 WeakPolarHBondContact OH-CA 3.48Å; P98-T100 PolarHBondContact O-N 3.04Å; P98-T100 PolarHBondContact O-OG1 2.91Å |
| 99 | N | 94.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 15.9 | 179 | -55.3 | -38.9 | 0 | 0 | 0 | 115.5 | I37 N38 Y41 E97 | I37-N99 HydrophobicContact CD1-CB 4.29Å; I37-N99 WeakPolarHBondContact CD1-O 3.24Å; I37-N99 HydrophobicContact CG1-CB 4.3Å; N38-N99 PolarHBondContact OD1-ND2 3.47Å; N38-N99 PolarHBondContact OD1-OD1 3.32Å; Y41-N99 WeakPolarHBondContact CB-OD1 3.42Å; Y41-N99 VanDerWaalsContact CD2-N 3.27Å; E97-N99 PolarHBondContact O-N 2.96Å |
| 100 | T | 96.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -59.5 | -173.1 | -48 | 0 | 0 | 0 | 0 | 111 | E97 P98 I118 | E97-T100 PolarHBondContact O-N 2.8Å; P98-T100 PolarHBondContact O-N 3.04Å; P98-T100 PolarHBondContact O-OG1 2.91Å; T100-I118 PolarHBondContact O-N 2.9Å |
| 101 | S | 96.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 153.1 | -176.2 | 79.7 | 0 | 0 | 0 | 0 | 112.4 | E97 F116 | E97-S101 WeakPolarHBondContact CB-OG 3.46Å; E97-S101 VanDerWaalsContact CD-OG 3.24Å; E97-S101 PolarHBondContact N-O 3.43Å; E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact OE2-OG 3.42Å; S101-F116 VanDerWaalsContact CA-O 3.22Å; S101-F116 WeakPolarHBondContact CA-O 3.14Å; S101-F116 WeakPolarHBondContact CB-O 3.45Å |
| 102 | F | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 136.2 | 175.6 | 174.4 | -109 | 0 | 0 | 0 | 108.3 | V44 T45 Y50 L69 I93 S95 V96 F104 F116 | V44-F102 HydrophobicContact CG1-CB 4.33Å; V44-F102 HydrophobicContact CG1-CD1 3.96Å; T45-F102 HydrophobicContact CG2-CB 3.89Å; T45-F102 HydrophobicContact CG2-CD1 4.34Å; T45-F102 HydrophobicContact CG2-CD2 3.75Å; T45-F102 HydrophobicContact CG2-CE2 4.34Å; T45-F102 HydrophobicContact CG2-CG 3.73Å; Y50-F102 VanDerWaalsContact OH-CE1 3.27Å; Y50-F102 WeakPolarHBondContact OH-CE1 3.2Å; L69-F102 HydrophobicContact CD1-CE2 3.53Å; L69-F102 HydrophobicContact CD1-CZ 3.54Å; I93-F102 HydrophobicContact CD1-CE2 3.73Å; I93-F102 HydrophobicContact CD1-CZ 3.49Å; I93-F102 VanDerWaalsContact CD1-CZ 3.49Å; I93-F102 HydrophobicContact CG2-CE2 4.11Å; S95-F102 WeakPolarHBondContact O-CA 3.22Å; S95-F102 WeakPolarHBondContact O-CD2 3.4Å; V96-F102 HydrophobicContact CG2-CD2 4.19Å; V96-F102 HydrophobicContact CG2-CE2 4.27Å; F102-F104 HydrophobicContact CD1-CD1 4.36Å; F102-F104 AromaticContact CE1-CD1 3.57Å; F102-F104 HydrophobicContact CE1-CD1 3.57Å; F102-F104 HydrophobicContact CE1-CE1 4.09Å; F102-F104 HydrophobicContact CZ-CD1 4.14Å; F102-F116 HydrophobicContact CB-CB 4.37Å; F102-F116 AromaticContact CD1-CD2 3.89Å; F102-F116 HydrophobicContact CD1-CD2 3.89Å; F102-F116 HydrophobicContact CD1-CE2 4.35Å; F102-F116 PolarHBondContact N-O 2.97Å; F102-F116 WeakPolarHBondContact O-CB 3.3Å; F102-F116 WeakPolarHBondContact O-CD2 3.47Å; F102-F116 PolarHBondContact O-N 3.02Å |
| 103 | S | 97.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 146.5 | 177.2 | 63 | 0 | 0 | 0 | 0 | 112.7 | L94 S95 F114 D115 | L94-S103 WeakPolarHBondContact CB-OG 3.18Å; L94-S103 PolarHBondContact N-O 2.69Å; S95-S103 VanDerWaalsContact CB-OG 3.26Å; S95-S103 WeakPolarHBondContact CB-OG 3.18Å; S95-S103 PolarHBondContact N-O 3.36Å; S95-S103 PolarHBondContact N-OG 2.87Å; S95-S103 VanDerWaalsContact N-OG 3.11Å; S95-S103 PolarHBondContact O-N 2.91Å; S95-S103 PolarHBondContact OG-N 3.03Å; S95-S103 PolarHBondContact OG-OG 2.81Å; S103-F114 WeakPolarHBondContact CA-O 3.44Å; S103-F114 VanDerWaalsContact CB-O 3.29Å; S103-F114 WeakPolarHBondContact CB-O 3.48Å; S103-D115 VanDerWaalsContact CB-OD1 3.29Å; S103-D115 WeakPolarHBondContact CB-OD1 3.43Å |
| 104 | F | 96.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161.6 | 171.7 | 66.3 | -94.8 | 0 | 0 | 0 | 110.4 | Y50 F75 M77 A91 Q92 I93 F102 L106 F114 F116 | Y50-F104 AromaticContact CE2-CE1 3.87Å; Y50-F104 HydrophobicContact CE2-CE1 3.87Å; Y50-F104 HydrophobicContact CE2-CZ 4.03Å; F75-F104 HydrophobicContact CZ-CD2 4.36Å; F75-F104 HydrophobicContact CZ-CG 4.35Å; M77-F104 HydrophobicContact CE-CE2 3.81Å; M77-F104 HydrophobicContact CE-CZ 3.84Å; A91-F104 HydrophobicContact CB-CD2 4.01Å; Q92-F104 CarbonylContact O-C 3.36Å; Q92-F104 WeakPolarHBondContact O-CA 3.42Å; Q92-F104 VanDerWaalsContact O-CB 3.3Å; Q92-F104 WeakPolarHBondContact O-CB 3.46Å; I93-F104 HydrophobicContact CD1-CB 3.97Å; F102-F104 HydrophobicContact CD1-CD1 4.36Å; F102-F104 AromaticContact CE1-CD1 3.57Å; F102-F104 HydrophobicContact CE1-CD1 3.57Å; F102-F104 HydrophobicContact CE1-CE1 4.09Å; F102-F104 HydrophobicContact CZ-CD1 4.14Å; F104-L106 HydrophobicContact CD2-CD2 4.2Å; F104-L106 HydrophobicContact CE2-CD2 3.99Å; F104-L106 HydrophobicContact CE2-CG 4.39Å; F104-F114 HydrophobicContact CD1-CB 4.27Å; F104-F114 HydrophobicContact CD2-CB 4.38Å; F104-F114 AromaticContact CD2-CD2 3.94Å; F104-F114 HydrophobicContact CD2-CD2 3.94Å; F104-F114 HydrophobicContact CD2-CG 4.47Å; F104-F114 HydrophobicContact CE1-CB 3.94Å; F104-F114 HydrophobicContact CE1-CG 4.36Å; F104-F114 HydrophobicContact CE2-CB 4.02Å; F104-F114 AromaticContact CE2-CD2 3.33Å; F104-F114 HydrophobicContact CE2-CD2 3.33Å; F104-F114 AromaticContact CE2-CE2 3.96Å; F104-F114 HydrophobicContact CE2-CE2 3.96Å; F104-F114 AromaticContact CE2-CG 3.77Å; F104-F114 HydrophobicContact CE2-CG 3.77Å; F104-F114 HydrophobicContact CG-CB 4.5Å; F104-F114 HydrophobicContact CZ-CB 3.78Å; F104-F114 HydrophobicContact CZ-CD1 4.35Å; F104-F114 AromaticContact CZ-CD2 3.78Å; F104-F114 HydrophobicContact CZ-CD2 3.78Å; F104-F114 HydrophobicContact CZ-CE2 4.49Å; F104-F114 AromaticContact CZ-CG 3.7Å; F104-F114 HydrophobicContact CZ-CG 3.7Å; F104-F114 PolarHBondContact N-O 3.44Å; F104-F114 VanDerWaalsContact N-O 3.13Å; F104-F114 PolarHBondContact O-N 2.77Å; F104-F116 HydrophobicContact CD1-CE2 4.28Å; F104-F116 AromaticContact CE1-CE2 3.64Å; F104-F116 HydrophobicContact CE1-CE2 3.64Å; F104-F116 HydrophobicContact CE1-CZ 4.32Å; F104-F116 HydrophobicContact CZ-CE2 4.45Å |
| 105 | I | 96 | Very high | 94.4 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.9 | 176.9 | -168.7 | 166.6 | 0 | 0 | 0 | 110 | A91 Q92 L94 E111 T112 R113 N135 | A91-I105 CarbonylContact C-O 3.6Å; A91-I105 VanDerWaalsContact CA-O 3.28Å; A91-I105 WeakPolarHBondContact CA-O 3.5Å; Q92-I105 HydrophobicContact CB-CG2 4.11Å; Q92-I105 PolarHBondContact N-O 2.85Å; Q92-I105 PolarHBondContact O-N 2.84Å; L94-I105 HydrophobicContact CD1-CB 3.82Å; L94-I105 HydrophobicContact CD1-CG2 3.96Å; L94-I105 HydrophobicContact CD2-CG2 3.83Å; L94-I105 HydrophobicContact CG-CB 4.23Å; L94-I105 HydrophobicContact CG-CG2 3.93Å; I105-E111 HydrophobicContact CD1-CB 4.23Å; I105-T112 WeakPolarHBondContact CA-O 3.25Å; I105-R113 HydrophobicContact CD1-CB 4.39Å; I105-R113 HydrophobicContact CG1-CB 4.26Å; I105-N135 WeakPolarHBondContact CD1-ND2 3.34Å |
| 106 | L | 95.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.8 | 172.1 | -59.5 | -177.5 | 0 | 0 | 0 | 110.4 | M77 V90 A91 F104 D108 T112 F114 | M77-L106 HydrophobicContact CE-CD2 4.39Å; V90-L106 CarbonylContact O-C 3Å; V90-L106 WeakPolarHBondContact O-CA 3.46Å; A91-L106 HydrophobicContact CB-CD2 3.57Å; F104-L106 HydrophobicContact CD2-CD2 4.2Å; F104-L106 HydrophobicContact CE2-CD2 3.99Å; F104-L106 HydrophobicContact CE2-CG 4.39Å; L106-D108 HydrophobicContact CB-CB 4.31Å; L106-D108 PolarHBondContact O-N 2.77Å; L106-D108 VanDerWaalsContact O-N 3.12Å; L106-T112 PolarHBondContact N-O 3.26Å; L106-F114 HydrophobicContact CD1-CE2 3.62Å; L106-F114 HydrophobicContact CD1-CZ 4.2Å; L106-F114 HydrophobicContact CG-CD2 4.4Å; L106-F114 HydrophobicContact CG-CE2 3.81Å |
| 107 | D | 93.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | trans | -76.9 | 23.2 | 170.3 | 73.4 | -20.3 | 0 | 0 | 0 | 113.5 | Y89 V90 | Y89-D107 VanDerWaalsContact CA-OD1 3.25Å; Y89-D107 WeakPolarHBondContact CA-OD1 3.46Å; Y89-D107 WeakPolarHBondContact CB-OD1 3.37Å; V90-D107 HydrophobicContact CB-CB 4.28Å; V90-D107 WeakPolarHBondContact CB-OD2 3.38Å; V90-D107 WeakPolarHBondContact CG2-OD2 3.25Å; V90-D107 VanDerWaalsContact N-CG 3.29Å; V90-D107 PolarHBondContact N-OD1 2.99Å; V90-D107 PolarHBondContact N-OD2 3.07Å; V90-D107 PolarHBondContact O-N 3.22Å | ||
| 108 | D | 91.1 | Very high | 94.7 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -73.5 | 171.1 | 178.7 | 76.8 | -18.8 | 0 | 0 | 0 | 111.9 | Y89 L106 L110 E111 T112 | Y89-D108 HydrophobicContact CD1-CB 3.55Å; Y89-D108 HydrophobicContact CE1-CB 3.5Å; Y89-D108 HydrophobicContact CG-CB 4.37Å; L106-D108 HydrophobicContact CB-CB 4.31Å; L106-D108 PolarHBondContact O-N 2.77Å; L106-D108 VanDerWaalsContact O-N 3.12Å; D108-L110 PolarHBondContact O-N 2.91Å; D108-L110 PolarHBondContact OD1-N 3.46Å; D108-E111 PolarHBondContact O-N 2.93Å; D108-E111 WeakPolarHBondContact OD1-CA 3.46Å; D108-E111 PolarHBondContact OD1-N 2.85Å; D108-T112 PolarHBondContact OD1-N 2.84Å; D108-T112 PolarHBondContact OD1-OG1 3.12Å; D108-T112 WeakPolarHBondContact OD2-CB 3.24Å; D108-T112 PolarHBondContact OD2-OG1 2.99Å |
| 109 | W | 85.6 | Confident | 94.8 | Very high | 174 Ų | 174 | 38.5 Ų | 38.5 | 66% | 0.659 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.8 | -179.5 | 174.7 | 63.8 | 0 | 0 | 0 | 113.7 | K136 I145 | W109-K136 WeakPolarHBondContact O-CE 3.43Å; W109-I145 HydrophobicContact CH2-CD1 3.03Å; W109-I145 HydrophobicContact CH2-CG1 3.73Å; W109-I145 HydrophobicContact CH2-CG2 4.28Å; W109-I145 HydrophobicContact CZ2-CD1 3.51Å; W109-I145 HydrophobicContact CZ3-CD1 3.77Å; W109-I145 HydrophobicContact CZ3-CG1 4.22Å; W109-I145 HydrophobicContact CZ3-CG2 3.91Å |
| 110 | L | 87.2 | Confident | 95 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.1 | 178.2 | -64.3 | -174.3 | 0 | 0 | 0 | 112.9 | I26 D108 T112 S134 Y141 I145 A149 Y153 | I26-L110 HydrophobicContact CD1-CD1 4.44Å; D108-L110 PolarHBondContact O-N 2.91Å; D108-L110 PolarHBondContact OD1-N 3.46Å; L110-T112 VanDerWaalsContact C-N 3.26Å; L110-T112 WeakPolarHBondContact CB-OG1 3.17Å; L110-T112 PolarHBondContact O-N 2.72Å; L110-S134 VanDerWaalsContact O-CB 3.22Å; L110-S134 WeakPolarHBondContact O-CB 3.39Å; L110-S134 PolarHBondContact O-OG 2.98Å; L110-Y141 HydrophobicContact CD2-CD2 4.08Å; L110-Y141 HydrophobicContact CD2-CE2 3.6Å; L110-I145 HydrophobicContact CD2-CG2 3.78Å; L110-A149 HydrophobicContact CD1-CB 4.47Å; L110-Y153 HydrophobicContact CD1-CE2 4.02Å |
| 111 | E | 90.6 | Very high | 95 | Very high | 70 Ų | 70 | 39.1 Ų | 39.1 | 33% | 0.327 | 20% | 0.202 | S | C | . | . | trans | 48.3 | 55 | -166.3 | -64.9 | 169.6 | -160.1 | 0 | 0 | 109.8 | I105 D108 R113 N135 K136 | I105-E111 HydrophobicContact CD1-CB 4.23Å; D108-E111 PolarHBondContact O-N 2.93Å; D108-E111 WeakPolarHBondContact OD1-CA 3.46Å; D108-E111 PolarHBondContact OD1-N 2.85Å; E111-R113 PolarHBondContact O-N 2.85Å; E111-N135 HydrophobicContact CB-CB 4.07Å; E111-N135 PolarHBondContact O-N 3.13Å; E111-N135 VanDerWaalsContact OE2-CB 3.29Å; E111-N135 WeakPolarHBondContact OE2-CB 3.37Å; E111-K136 WeakPolarHBondContact OE1-CE 3.41Å; E111-K136 IonicContact OE1-NZ 2.67Å; E111-K136 PolarHBondContact OE1-NZ 3.11Å | ||
| 112 | T | 93.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.2 | -171.3 | -59 | 0 | 0 | 0 | 0 | 109.9 | I105 L106 D108 L110 F114 I132 S133 Y153 | I105-T112 WeakPolarHBondContact CA-O 3.25Å; L106-T112 PolarHBondContact N-O 3.26Å; D108-T112 PolarHBondContact OD1-N 2.84Å; D108-T112 PolarHBondContact OD1-OG1 3.12Å; D108-T112 WeakPolarHBondContact OD2-CB 3.24Å; D108-T112 PolarHBondContact OD2-OG1 2.99Å; L110-T112 VanDerWaalsContact C-N 3.26Å; L110-T112 WeakPolarHBondContact CB-OG1 3.17Å; L110-T112 PolarHBondContact O-N 2.72Å; T112-F114 HydrophobicContact CG2-CD2 4.21Å; T112-F114 HydrophobicContact CG2-CE2 3.46Å; T112-F114 VanDerWaalsContact CG2-CE2 3.46Å; T112-F114 HydrophobicContact CG2-CZ 3.67Å; T112-I132 HydrophobicContact CG2-CG2 3.47Å; T112-I132 VanDerWaalsContact CG2-CG2 3.47Å; T112-S133 WeakPolarHBondContact CA-O 3.44Å; T112-Y153 HydrophobicContact CG2-CE1 4.45Å |
| 113 | R | 95.4 | Very high | 94.7 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133 | 178.1 | 175.4 | -179.9 | 170.9 | 155.8 | 5.6 | 110.6 | L94 I105 E111 D115 I132 S133 | L94-R113 HydrophobicContact CD1-CG 4.25Å; I105-R113 HydrophobicContact CD1-CB 4.39Å; I105-R113 HydrophobicContact CG1-CB 4.26Å; E111-R113 PolarHBondContact O-N 2.85Å; R113-D115 IonicContact CZ-OD1 3.2Å; R113-D115 IonicContact CZ-OD2 3.89Å; R113-D115 VanDerWaalsContact NE-CG 3.27Å; R113-D115 IonicContact NE-OD1 2.77Å; R113-D115 PolarHBondContact NE-OD1 2.76Å; R113-D115 IonicContact NE-OD2 3.04Å; R113-D115 PolarHBondContact NE-OD2 2.79Å; R113-D115 IonicContact NH2-OD1 2.76Å; R113-D115 PolarHBondContact NH2-OD1 2.77Å; R113-I132 CarbonylContact O-C 3.57Å; R113-I132 WeakPolarHBondContact O-CA 3.28Å; R113-S133 PolarHBondContact N-O 3.15Å; R113-S133 PolarHBondContact O-N 2.85Å |
| 114 | F | 96.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120 | 176.3 | -64.1 | -97.5 | 0 | 0 | 0 | 109.2 | S103 F104 L106 T112 F116 L130 I132 W156 | S103-F114 WeakPolarHBondContact CA-O 3.44Å; S103-F114 VanDerWaalsContact CB-O 3.29Å; S103-F114 WeakPolarHBondContact CB-O 3.48Å; F104-F114 HydrophobicContact CD1-CB 4.27Å; F104-F114 HydrophobicContact CD2-CB 4.38Å; F104-F114 AromaticContact CD2-CD2 3.94Å; F104-F114 HydrophobicContact CD2-CD2 3.94Å; F104-F114 HydrophobicContact CD2-CG 4.47Å; F104-F114 HydrophobicContact CE1-CB 3.94Å; F104-F114 HydrophobicContact CE1-CG 4.36Å; F104-F114 HydrophobicContact CE2-CB 4.02Å; F104-F114 AromaticContact CE2-CD2 3.33Å; F104-F114 HydrophobicContact CE2-CD2 3.33Å; F104-F114 AromaticContact CE2-CE2 3.96Å; F104-F114 HydrophobicContact CE2-CE2 3.96Å; F104-F114 AromaticContact CE2-CG 3.77Å; F104-F114 HydrophobicContact CE2-CG 3.77Å; F104-F114 HydrophobicContact CG-CB 4.5Å; F104-F114 HydrophobicContact CZ-CB 3.78Å; F104-F114 HydrophobicContact CZ-CD1 4.35Å; F104-F114 AromaticContact CZ-CD2 3.78Å; F104-F114 HydrophobicContact CZ-CD2 3.78Å; F104-F114 HydrophobicContact CZ-CE2 4.49Å; F104-F114 AromaticContact CZ-CG 3.7Å; F104-F114 HydrophobicContact CZ-CG 3.7Å; F104-F114 PolarHBondContact N-O 3.44Å; F104-F114 VanDerWaalsContact N-O 3.13Å; F104-F114 PolarHBondContact O-N 2.77Å; L106-F114 HydrophobicContact CD1-CE2 3.62Å; L106-F114 HydrophobicContact CD1-CZ 4.2Å; L106-F114 HydrophobicContact CG-CD2 4.4Å; L106-F114 HydrophobicContact CG-CE2 3.81Å; T112-F114 HydrophobicContact CG2-CD2 4.21Å; T112-F114 HydrophobicContact CG2-CE2 3.46Å; T112-F114 VanDerWaalsContact CG2-CE2 3.46Å; T112-F114 HydrophobicContact CG2-CZ 3.67Å; F114-F116 HydrophobicContact CB-CE2 3.94Å; F114-L130 HydrophobicContact CB-CD1 4.33Å; F114-L130 HydrophobicContact CD1-CD1 4.36Å; F114-I132 HydrophobicContact CD1-CD1 4.1Å; F114-I132 HydrophobicContact CD1-CG1 3.82Å; F114-I132 HydrophobicContact CE1-CD1 3.62Å; F114-I132 HydrophobicContact CE1-CG1 3.82Å; F114-I132 HydrophobicContact CZ-CD1 4.44Å; F114-W156 AromaticContact CE1-CH2 3.67Å; F114-W156 HydrophobicContact CE1-CH2 3.67Å; F114-W156 AromaticContact CE1-CZ3 3.69Å; F114-W156 HydrophobicContact CE1-CZ3 3.69Å; F114-W156 HydrophobicContact CZ-CH2 4.26Å |
| 115 | D | 97.1 | Very high | 94.7 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.3 | 177.7 | -61.4 | -73.4 | 0 | 0 | 0 | 110 | S103 R113 L130 T131 | S103-D115 VanDerWaalsContact CB-OD1 3.29Å; S103-D115 WeakPolarHBondContact CB-OD1 3.43Å; R113-D115 IonicContact CZ-OD1 3.2Å; R113-D115 IonicContact CZ-OD2 3.89Å; R113-D115 VanDerWaalsContact NE-CG 3.27Å; R113-D115 IonicContact NE-OD1 2.77Å; R113-D115 PolarHBondContact NE-OD1 2.76Å; R113-D115 IonicContact NE-OD2 3.04Å; R113-D115 PolarHBondContact NE-OD2 2.79Å; R113-D115 IonicContact NH2-OD1 2.76Å; R113-D115 PolarHBondContact NH2-OD1 2.77Å; D115-L130 WeakPolarHBondContact O-CA 3.4Å; D115-T131 PolarHBondContact N-O 2.91Å; D115-T131 PolarHBondContact O-N 3.04Å |
| 116 | F | 97.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.022 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.2 | 173.4 | -61.2 | -99 | 0 | 0 | 0 | 109.5 | V44 W53 S101 F102 F104 F114 M128 K129 L130 | V44-F116 HydrophobicContact CG1-CB 3.78Å; V44-F116 HydrophobicContact CG1-CD1 3.47Å; V44-F116 VanDerWaalsContact CG1-CD1 3.47Å; V44-F116 HydrophobicContact CG1-CD2 4.04Å; V44-F116 HydrophobicContact CG1-CE1 4.02Å; V44-F116 HydrophobicContact CG1-CG 3.48Å; V44-F116 VanDerWaalsContact CG1-CG 3.48Å; V44-F116 HydrophobicContact CG2-CD1 4.22Å; W53-F116 AromaticContact CH2-CE1 3.74Å; W53-F116 HydrophobicContact CH2-CE1 3.74Å; W53-F116 AromaticContact CH2-CZ 3.96Å; W53-F116 HydrophobicContact CH2-CZ 3.96Å; W53-F116 HydrophobicContact CZ3-CE1 4.45Å; S101-F116 VanDerWaalsContact CA-O 3.22Å; S101-F116 WeakPolarHBondContact CA-O 3.14Å; S101-F116 WeakPolarHBondContact CB-O 3.45Å; F102-F116 HydrophobicContact CB-CB 4.37Å; F102-F116 AromaticContact CD1-CD2 3.89Å; F102-F116 HydrophobicContact CD1-CD2 3.89Å; F102-F116 HydrophobicContact CD1-CE2 4.35Å; F102-F116 PolarHBondContact N-O 2.97Å; F102-F116 WeakPolarHBondContact O-CB 3.3Å; F102-F116 WeakPolarHBondContact O-CD2 3.47Å; F102-F116 PolarHBondContact O-N 3.02Å; F104-F116 HydrophobicContact CD1-CE2 4.28Å; F104-F116 AromaticContact CE1-CE2 3.64Å; F104-F116 HydrophobicContact CE1-CE2 3.64Å; F104-F116 HydrophobicContact CE1-CZ 4.32Å; F104-F116 HydrophobicContact CZ-CE2 4.45Å; F114-F116 HydrophobicContact CB-CE2 3.94Å; F116-M128 HydrophobicContact CD1-SD 4.08Å; F116-M128 HydrophobicContact CE1-SD 4.47Å; F116-K129 WeakPolarHBondContact CA-O 3.41Å; F116-L130 HydrophobicContact CD1-CB 4.43Å; F116-L130 HydrophobicContact CD1-CD1 3.78Å; F116-L130 HydrophobicContact CD1-CG 4.47Å; F116-L130 HydrophobicContact CD2-CD1 3.92Å; F116-L130 HydrophobicContact CE1-CB 4.42Å; F116-L130 HydrophobicContact CE1-CD1 3.56Å; F116-L130 HydrophobicContact CE1-CD2 3.82Å; F116-L130 HydrophobicContact CE1-CG 4.12Å; F116-L130 HydrophobicContact CE2-CD1 3.69Å; F116-L130 HydrophobicContact CG-CD1 3.96Å; F116-L130 HydrophobicContact CZ-CD1 3.51Å; F116-L130 HydrophobicContact CZ-CD2 4.02Å; F116-L130 HydrophobicContact CZ-CG 4.36Å |
| 117 | A | 98 | Very high | 94.8 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | K129 | A117-K129 HydrophobicContact CB-CB 4.35Å; A117-K129 PolarHBondContact N-O 2.85Å; A117-K129 PolarHBondContact O-N 2.87Å |
| 118 | I | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.3 | -176.4 | -44.4 | -179.1 | 0 | 0 | 0 | 107.9 | I37 C40 Y41 V44 T100 R127 | I37-I118 HydrophobicContact CG1-CG2 3.83Å; C40-I118 HydrophobicContact CB-CG2 4.07Å; Y41-I118 HydrophobicContact CD2-CD1 3.96Å; Y41-I118 HydrophobicContact CG-CD1 4.47Å; V44-I118 HydrophobicContact CB-CD1 4.1Å; V44-I118 HydrophobicContact CG1-CD1 4.37Å; V44-I118 HydrophobicContact CG2-CD1 3.99Å; T100-I118 PolarHBondContact O-N 2.9Å; I118-R127 WeakPolarHBondContact CA-O 3.47Å |
| 119 | T | 98 | Very high | 95.3 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.5 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | S126 R127 | T119-S126 CarbonylContact O-C 3.58Å; T119-S126 WeakPolarHBondContact O-CA 3.32Å; T119-R127 PolarHBondContact N-O 2.87Å; T119-R127 PolarHBondContact O-N 3.39Å |
| 120 | S | 97.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139.2 | 171.4 | 168.2 | 0 | 0 | 0 | 0 | 109.5 | D122 | S120-D122 PolarHBondContact OG-O 2.81Å |
| 121 | I | 96.9 | Very high | 96.3 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -99.2 | -47 | 167.2 | -60.7 | 179.1 | 0 | 0 | 0 | 108.5 | V32 K125 R127 | V32-I121 HydrophobicContact CB-CD1 4.14Å; V32-I121 HydrophobicContact CG1-CD1 3.43Å; V32-I121 VanDerWaalsContact CG1-CD1 3.43Å; V32-I121 HydrophobicContact CG2-CD1 3.67Å; I121-K125 HydrophobicContact CB-CB 4.07Å; I121-K125 PolarHBondContact N-O 3.24Å; I121-R127 HydrophobicContact CD1-CB 4.16Å; I121-R127 HydrophobicContact CG1-CB 4.25Å |
| 122 | D | 94.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -149 | -163 | 171.2 | 60.1 | 48 | 0 | 0 | 0 | 109.3 | S120 E124 K125 | S120-D122 PolarHBondContact OG-O 2.81Å; D122-E124 VanDerWaalsContact C-N 3.31Å; D122-E124 PolarHBondContact O-N 3.29Å; D122-E124 WeakPolarHBondContact OD1-CA 3.29Å; D122-E124 PolarHBondContact OD1-N 3.07Å; D122-K125 PolarHBondContact N-O 3.24Å; D122-K125 WeakPolarHBondContact OD1-CB 3.16Å; D122-K125 PolarHBondContact OD1-N 3.39Å |
| 123 | Q | 93.7 | Very high | 96.5 | Very high | 180 Ų | 180 | 51.8 Ų | 51.8 | 84% | 0.841 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -68.8 | -27.9 | -179.1 | -68.5 | -176.4 | -20.5 | 0 | 0 | 113.3 | S36 | S36-Q123 WeakPolarHBondContact CB-O 3.26Š|
| 124 | E | 95.4 | Very high | 96.3 | Very high | 146 Ų | 146 | 48.2 Ų | 48.2 | 68% | 0.682 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -113.4 | -5.1 | -174.2 | -62.4 | -176 | 171.8 | 0 | 0 | 112.6 | S34 I35 D122 | S34-E124 CarbonylContact C-O 3.58Å; I35-E124 CarbonylContact C-O 3.52Å; I35-E124 VanDerWaalsContact CA-O 3.25Å; I35-E124 WeakPolarHBondContact CA-O 3.34Å; I35-E124 PolarHBondContact N-O 2.88Å; D122-E124 VanDerWaalsContact C-N 3.31Å; D122-E124 PolarHBondContact O-N 3.29Å; D122-E124 WeakPolarHBondContact OD1-CA 3.29Å; D122-E124 PolarHBondContact OD1-N 3.07Å |
| 125 | K | 97.1 | Very high | 95.6 | Very high | 90 Ų | 90 | 52 Ų | 52 | 39% | 0.391 | 27% | 0.268 | S | S | . | . | trans | -127.9 | 139 | -178.5 | -64.6 | 179.4 | -175 | 164.3 | 0 | 112.4 | I33 I35 I121 D122 | I33-K125 WeakPolarHBondContact O-CA 3.29Å; I35-K125 CarbonylContact O-C 3.49Å; I35-K125 WeakPolarHBondContact O-CA 3.29Å; I121-K125 HydrophobicContact CB-CB 4.07Å; I121-K125 PolarHBondContact N-O 3.24Å; D122-K125 PolarHBondContact N-O 3.24Å; D122-K125 WeakPolarHBondContact OD1-CB 3.16Å; D122-K125 PolarHBondContact OD1-N 3.39Å | ||
| 126 | S | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 156.9 | 174.1 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | V32 I33 I35 C40 T119 | V32-S126 WeakPolarHBondContact CA-O 3.3Å; I33-S126 PolarHBondContact N-O 2.66Å; I33-S126 PolarHBondContact O-N 3.18Å; I35-S126 WeakPolarHBondContact O-CB 3.49Å; I35-S126 PolarHBondContact O-N 3.39Å; I35-S126 VanDerWaalsContact O-N 3.09Å; I35-S126 PolarHBondContact O-OG 2.88Å; C40-S126 WeakPolarHBondContact CB-OG 3.28Å; T119-S126 CarbonylContact O-C 3.58Å; T119-S126 WeakPolarHBondContact O-CA 3.32Å |
| 127 | R | 97.7 | Very high | 93.7 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128 | 168.7 | -172.4 | -177.2 | -59.7 | -161.3 | 9 | 108.1 | E30 V31 V32 I118 T119 I121 | E30-R127 IonicContact OE1-CZ 3.74Å; E30-R127 IonicContact OE1-NH1 2.89Å; E30-R127 PolarHBondContact OE1-NH1 3.21Å; V31-R127 WeakPolarHBondContact O-CA 3.32Å; V32-R127 HydrophobicContact CG2-CG 4.45Å; I118-R127 WeakPolarHBondContact CA-O 3.47Å; T119-R127 PolarHBondContact N-O 2.87Å; T119-R127 PolarHBondContact O-N 3.39Å; I121-R127 HydrophobicContact CD1-CB 4.16Å; I121-R127 HydrophobicContact CG1-CB 4.25Å |
| 128 | M | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129 | 170.7 | -178.4 | 171.8 | 72 | 0 | 0 | 109.4 | E30 V31 I33 V44 F116 L161 F164 | E30-M128 CarbonylContact C-O 3.15Å; E30-M128 WeakPolarHBondContact CA-O 3.49Å; V31-M128 HydrophobicContact CG1-CB 4.3Å; V31-M128 HydrophobicContact CG1-CE 4.26Å; V31-M128 PolarHBondContact N-O 3.12Å; V31-M128 PolarHBondContact O-N 2.77Å; I33-M128 HydrophobicContact CD1-CB 3.59Å; I33-M128 HydrophobicContact CD1-CE 4.44Å; V44-M128 HydrophobicContact CG2-SD 3.29Å; V44-M128 WeakPolarHBondContact CG2-SD 3.44Å; F116-M128 HydrophobicContact CD1-SD 4.08Å; F116-M128 HydrophobicContact CE1-SD 4.47Å; M128-L161 HydrophobicContact CE-CD2 3.35Å; M128-F164 HydrophobicContact CE-CB 4.13Å; M128-F164 HydrophobicContact CE-CD1 3.7Å; M128-F164 HydrophobicContact CE-CD2 3.9Å; M128-F164 HydrophobicContact CE-CE1 4.05Å; M128-F164 HydrophobicContact CE-CE2 4.22Å; M128-F164 HydrophobicContact CE-CG 3.62Å; M128-F164 HydrophobicContact CE-CZ 4.29Å; M128-F164 HydrophobicContact SD-CE1 4.38Å; M128-F164 HydrophobicContact SD-CE2 4.39Å; M128-F164 HydrophobicContact SD-CZ 4.26Å |
| 129 | K | 97.7 | Very high | 91.4 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 30% | 0.296 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.3 | 173.5 | 179 | -176.3 | -179.6 | -175.3 | 0 | 108.5 | Q28 K29 E30 F116 A117 | Q28-K129 HydrophobicContact CG-CG 4.21Å; Q28-K129 VanDerWaalsContact NE2-CE 3.31Å; Q28-K129 VanDerWaalsContact OE1-NZ 3.15Å; K29-K129 WeakPolarHBondContact O-CA 3.03Å; E30-K129 HydrophobicContact CB-CB 4.07Å; E30-K129 HydrophobicContact CB-CG 4.29Å; F116-K129 WeakPolarHBondContact CA-O 3.41Å; A117-K129 HydrophobicContact CB-CB 4.35Å; A117-K129 PolarHBondContact N-O 2.85Å; A117-K129 PolarHBondContact O-N 2.87Å |
| 130 | L | 97.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.2 | 176.5 | 178.4 | 53.8 | 0 | 0 | 0 | 109.5 | Q28 K29 F114 D115 F116 L157 L161 | Q28-L130 WeakPolarHBondContact CA-O 3.43Å; K29-L130 PolarHBondContact N-O 2.81Å; K29-L130 PolarHBondContact O-N 2.68Å; F114-L130 HydrophobicContact CB-CD1 4.33Å; F114-L130 HydrophobicContact CD1-CD1 4.36Å; D115-L130 WeakPolarHBondContact O-CA 3.4Å; F116-L130 HydrophobicContact CD1-CB 4.43Å; F116-L130 HydrophobicContact CD1-CD1 3.78Å; F116-L130 HydrophobicContact CD1-CG 4.47Å; F116-L130 HydrophobicContact CD2-CD1 3.92Å; F116-L130 HydrophobicContact CE1-CB 4.42Å; F116-L130 HydrophobicContact CE1-CD1 3.56Å; F116-L130 HydrophobicContact CE1-CD2 3.82Å; F116-L130 HydrophobicContact CE1-CG 4.12Å; F116-L130 HydrophobicContact CE2-CD1 3.69Å; F116-L130 HydrophobicContact CG-CD1 3.96Å; F116-L130 HydrophobicContact CZ-CD1 3.51Å; F116-L130 HydrophobicContact CZ-CD2 4.02Å; F116-L130 HydrophobicContact CZ-CG 4.36Å; L130-L157 HydrophobicContact CB-CD2 4.09Å; L130-L157 HydrophobicContact CD2-CD2 3.33Å; L130-L157 HydrophobicContact CG-CD2 3.49Å; L130-L157 VanDerWaalsContact CG-CD2 3.49Å; L130-L161 HydrophobicContact CB-CD2 4.21Å |
| 131 | T | 95.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.4 | 173.4 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | K25 G27 Q28 D115 | K25-T131 HydrophobicContact CD-CG2 4.36Å; K25-T131 HydrophobicContact CG-CG2 4.06Å; G27-T131 WeakPolarHBondContact O-CA 3.39Å; Q28-T131 HydrophobicContact CB-CG2 4.45Å; D115-T131 PolarHBondContact N-O 2.91Å; D115-T131 PolarHBondContact O-N 3.04Å |
| 132 | I | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.4 | 170.7 | -59.8 | 177.6 | 0 | 0 | 0 | 107.8 | I26 G27 T112 R113 F114 Y153 W156 L157 | I26-I132 WeakPolarHBondContact CA-O 3.45Å; I26-I132 HydrophobicContact CB-CB 4.44Å; I26-I132 HydrophobicContact CB-CG2 4.09Å; I26-I132 HydrophobicContact CD1-CG2 4.11Å; I26-I132 HydrophobicContact CG1-CG2 4.47Å; I26-I132 PolarHBondContact N-O 3.47Å; G27-I132 PolarHBondContact N-O 3.28Å; G27-I132 PolarHBondContact O-N 3.49Å; T112-I132 HydrophobicContact CG2-CG2 3.47Å; T112-I132 VanDerWaalsContact CG2-CG2 3.47Å; R113-I132 CarbonylContact O-C 3.57Å; R113-I132 WeakPolarHBondContact O-CA 3.28Å; F114-I132 HydrophobicContact CD1-CD1 4.1Å; F114-I132 HydrophobicContact CD1-CG1 3.82Å; F114-I132 HydrophobicContact CE1-CD1 3.62Å; F114-I132 HydrophobicContact CE1-CG1 3.82Å; F114-I132 HydrophobicContact CZ-CD1 4.44Å; I132-Y153 HydrophobicContact CD1-CD1 3.52Å; I132-Y153 HydrophobicContact CD1-CE1 4.19Å; I132-Y153 HydrophobicContact CD1-CG 4.25Å; I132-Y153 HydrophobicContact CG2-CD1 4.26Å; I132-Y153 HydrophobicContact CG2-CE1 4.48Å; I132-Y153 HydrophobicContact CG2-CG 4.48Å; I132-W156 HydrophobicContact CD1-CE3 3.86Å; I132-W156 HydrophobicContact CD1-CZ3 3.65Å; I132-L157 HydrophobicContact CD1-CD1 3.86Å; I132-L157 HydrophobicContact CD1-CD2 3.56Å; I132-L157 HydrophobicContact CD1-CG 3.57Å; I132-L157 HydrophobicContact CG1-CD1 4.03Å; I132-L157 HydrophobicContact CG1-CD2 3.88Å; I132-L157 HydrophobicContact CG1-CG 4.16Å |
| 133 | S | 93.2 | Very high | 87.1 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 170.5 | 175.1 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | G24 T112 R113 | G24-S133 CarbonylContact O-C 3.51Å; G24-S133 VanDerWaalsContact O-CA 3.28Å; G24-S133 WeakPolarHBondContact O-CA 3.37Å; T112-S133 WeakPolarHBondContact CA-O 3.44Å; R113-S133 PolarHBondContact N-O 3.15Å; R113-S133 PolarHBondContact O-N 2.85Å |
| 134 | S | 90.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.8 | 173.8 | 159.5 | 0 | 0 | 0 | 0 | 109 | G24 L110 K136 Y141 | G24-S134 PolarHBondContact O-N 2.88Å; L110-S134 VanDerWaalsContact O-CB 3.22Å; L110-S134 WeakPolarHBondContact O-CB 3.39Å; L110-S134 PolarHBondContact O-OG 2.98Å; S134-K136 VanDerWaalsContact C-N 3.27Å; S134-K136 WeakPolarHBondContact OG-CB 3.5Å; S134-K136 PolarHBondContact OG-N 3.48Å; S134-K136 VanDerWaalsContact OG-N 3.07Å; S134-Y141 WeakPolarHBondContact CB-OH 3.35Å; S134-Y141 PolarHBondContact OG-OH 3.12Å |
| 135 | N | 81.6 | Confident | 85.7 | Confident | 87 Ų | 87 | 57 Ų | 57 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | trans | -81.6 | -4.8 | 175.6 | -75.5 | -12.2 | 0 | 0 | 0 | 113.2 | I105 E111 N137 | I105-N135 WeakPolarHBondContact CD1-ND2 3.34Å; E111-N135 HydrophobicContact CB-CB 4.07Å; E111-N135 PolarHBondContact O-N 3.13Å; E111-N135 VanDerWaalsContact OE2-CB 3.29Å; E111-N135 WeakPolarHBondContact OE2-CB 3.37Å; N135-N137 PolarHBondContact O-N 3.4Å | ||
| 136 | K | 80.2 | Confident | 84.9 | Confident | 62 Ų | 62 | 53 Ų | 53 | 27% | 0.27 | 26% | 0.256 | S | S | . | . | trans | -68.7 | 129 | 176.4 | -63.9 | -58.1 | -171.2 | -165 | 0 | 110.7 | W109 E111 S134 Y141 | W109-K136 WeakPolarHBondContact O-CE 3.43Å; E111-K136 WeakPolarHBondContact OE1-CE 3.41Å; E111-K136 IonicContact OE1-NZ 2.67Å; E111-K136 PolarHBondContact OE1-NZ 3.11Å; S134-K136 VanDerWaalsContact C-N 3.27Å; S134-K136 WeakPolarHBondContact OG-CB 3.5Å; S134-K136 PolarHBondContact OG-N 3.48Å; S134-K136 VanDerWaalsContact OG-N 3.07Å; K136-Y141 HydrophobicContact CB-CD1 3.81Å; K136-Y141 HydrophobicContact CB-CD2 4.11Å; K136-Y141 HydrophobicContact CB-CE1 4.1Å; K136-Y141 HydrophobicContact CB-CE2 4.46Å; K136-Y141 HydrophobicContact CB-CG 3.81Å; K136-Y141 WeakPolarHBondContact O-CD1 3.3Å; K136-Y141 VanDerWaalsContact O-CE1 3.28Å; K136-Y141 WeakPolarHBondContact O-CE1 3.31Å | ||
| 137 | N | 74.6 | Confident | 84.1 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | trans | -120.4 | 8 | -175.8 | -164.1 | 15.7 | 0 | 0 | 0 | 114.2 | N135 K142 | N135-N137 PolarHBondContact O-N 3.4Å; N137-K142 WeakPolarHBondContact OD1-CE 3.46Å; N137-K142 PolarHBondContact OD1-NZ 2.81Å | ||
| 138 | N | 75.4 | Confident | 83.4 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | trans | -75.3 | 157.2 | -178.3 | 71 | 50 | 0 | 0 | 0 | 112.5 | F140 Y141 K142 | N138-F140 PolarHBondContact O-N 3.44Å; N138-Y141 WeakPolarHBondContact O-CB 3.34Å; N138-Y141 PolarHBondContact O-N 3.15Å; N138-Y141 WeakPolarHBondContact OD1-CB 3.48Å; N138-Y141 PolarHBondContact OD1-N 3.47Å; N138-K142 PolarHBondContact O-N 2.81Å; N138-K142 VanDerWaalsContact O-N 3.1Å | ||
| 139 | M | 72.1 | Confident | 82.9 | Confident | 145 Ų | 145 | 52.5 Ų | 52.5 | 71% | 0.714 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | -172.5 | -158.6 | -160.9 | -99.9 | 0 | 0 | 112.6 | Y141 K142 H143 | M139-Y141 VanDerWaalsContact C-N 3.33Å; M139-Y141 PolarHBondContact O-N 3.07Å; M139-K142 PolarHBondContact O-N 3.5Å; M139-H143 PolarHBondContact O-CD2 3.07Å; M139-H143 PolarHBondContact O-N 2.67Å; M139-H143 VanDerWaalsContact O-N 3.16Å |
| 140 | F | 73 | Confident | 82.4 | Confident | 119 Ų | 119 | 52 Ų | 52 | 52% | 0.522 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -44 | 175 | 179.2 | -102.1 | 0 | 0 | 0 | 111.4 | N138 I144 I145 | N138-F140 PolarHBondContact O-N 3.44Å; F140-I144 HydrophobicContact CD2-CD1 3.66Å; F140-I144 HydrophobicContact CE2-CB 4.32Å; F140-I144 HydrophobicContact CE2-CD1 3.47Å; F140-I144 VanDerWaalsContact CE2-CD1 3.47Å; F140-I144 HydrophobicContact CE2-CG1 4.44Å; F140-I144 HydrophobicContact CE2-CG2 4.41Å; F140-I144 HydrophobicContact CZ-CD1 4.4Å; F140-I144 HydrophobicContact CZ-CG2 4.35Å; F140-I144 WeakPolarHBondContact O-CB 3.19Å; F140-I144 PolarHBondContact O-N 2.55Å; F140-I145 HydrophobicContact CD1-CD1 3.48Å; F140-I145 VanDerWaalsContact CD1-CD1 3.48Å; F140-I145 HydrophobicContact CD1-CG1 4Å; F140-I145 HydrophobicContact CE1-CD1 3.51Å; F140-I145 HydrophobicContact CE1-CG1 3.73Å |
| 141 | Y | 77.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -59 | -52.6 | 174.9 | 176.3 | -103.9 | 0 | 0 | 0 | 111.6 | L110 S134 K136 N138 M139 H143 I145 L146 | L110-Y141 HydrophobicContact CD2-CD2 4.08Å; L110-Y141 HydrophobicContact CD2-CE2 3.6Å; S134-Y141 WeakPolarHBondContact CB-OH 3.35Å; S134-Y141 PolarHBondContact OG-OH 3.12Å; K136-Y141 HydrophobicContact CB-CD1 3.81Å; K136-Y141 HydrophobicContact CB-CD2 4.11Å; K136-Y141 HydrophobicContact CB-CE1 4.1Å; K136-Y141 HydrophobicContact CB-CE2 4.46Å; K136-Y141 HydrophobicContact CB-CG 3.81Å; K136-Y141 WeakPolarHBondContact O-CD1 3.3Å; K136-Y141 VanDerWaalsContact O-CE1 3.28Å; K136-Y141 WeakPolarHBondContact O-CE1 3.31Å; N138-Y141 WeakPolarHBondContact O-CB 3.34Å; N138-Y141 PolarHBondContact O-N 3.15Å; N138-Y141 WeakPolarHBondContact OD1-CB 3.48Å; N138-Y141 PolarHBondContact OD1-N 3.47Å; M139-Y141 VanDerWaalsContact C-N 3.33Å; M139-Y141 PolarHBondContact O-N 3.07Å; Y141-H143 VanDerWaalsContact C-N 3.31Å; Y141-H143 PolarHBondContact O-N 2.95Å; Y141-I145 HydrophobicContact CD2-CB 3.61Å; Y141-I145 HydrophobicContact CD2-CD1 3.89Å; Y141-I145 HydrophobicContact CD2-CG1 4.37Å; Y141-I145 HydrophobicContact CD2-CG2 3.69Å; Y141-I145 HydrophobicContact CE2-CB 4.06Å; Y141-I145 HydrophobicContact CE2-CG2 3.73Å; Y141-I145 HydrophobicContact CG-CB 4.5Å; Y141-I145 PolarHBondContact O-N 3.26Å; Y141-L146 HydrophobicContact CD1-CB 4.36Å; Y141-L146 HydrophobicContact CE1-CB 4Å; Y141-L146 HydrophobicContact CE1-CD1 3.82Å; Y141-L146 HydrophobicContact CE1-CD2 4.36Å; Y141-L146 HydrophobicContact CE1-CG 4.25Å; Y141-L146 HydrophobicContact CE2-CB 4.24Å; Y141-L146 WeakPolarHBondContact O-CB 3.28Å; Y141-L146 PolarHBondContact O-N 3.39Å; Y141-L146 WeakPolarHBondContact OH-CD1 3.03Å |
| 142 | K | 74.4 | Confident | 81.5 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 39% | 0.391 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -58.1 | -39.2 | -177.6 | -73 | -177.9 | -179.6 | 176.3 | 0 | 113.8 | N137 N138 M139 | N137-K142 WeakPolarHBondContact OD1-CE 3.46Å; N137-K142 PolarHBondContact OD1-NZ 2.81Å; N138-K142 PolarHBondContact O-N 2.81Å; N138-K142 VanDerWaalsContact O-N 3.1Å; M139-K142 PolarHBondContact O-N 3.5Å |
| 143 | H | 73.2 | Confident | 81.2 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -98.4 | -21.4 | -171.8 | -64 | -51.9 | 0 | 0 | 0 | 115.1 | S16 M139 Y141 | S16-H143 WeakPolarHBondContact CB-O 3.44Å; M139-H143 PolarHBondContact O-CD2 3.07Å; M139-H143 PolarHBondContact O-N 2.67Å; M139-H143 VanDerWaalsContact O-N 3.16Å; Y141-H143 VanDerWaalsContact C-N 3.31Å; Y141-H143 PolarHBondContact O-N 2.95Å |
| 144 | I | 77.4 | Confident | 81 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -118.7 | -55.9 | -175.4 | -63.5 | 172.7 | 0 | 0 | 0 | 110.6 | F12 F140 P147 I148 | F12-I144 HydrophobicContact CD1-CG2 4.47Å; F140-I144 HydrophobicContact CD2-CD1 3.66Å; F140-I144 HydrophobicContact CE2-CB 4.32Å; F140-I144 HydrophobicContact CE2-CD1 3.47Å; F140-I144 VanDerWaalsContact CE2-CD1 3.47Å; F140-I144 HydrophobicContact CE2-CG1 4.44Å; F140-I144 HydrophobicContact CE2-CG2 4.41Å; F140-I144 HydrophobicContact CZ-CD1 4.4Å; F140-I144 HydrophobicContact CZ-CG2 4.35Å; F140-I144 WeakPolarHBondContact O-CB 3.19Å; F140-I144 PolarHBondContact O-N 2.55Å; I144-P147 WeakPolarHBondContact O-CD 3.4Å; I144-I148 HydrophobicContact CG2-CD1 4.35Å; I144-I148 WeakPolarHBondContact O-CD1 3.29Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.46Å |
| 145 | I | 81.9 | Confident | 81 | Confident | 20 Ų | 20 | 66 Ų | 66 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -73.3 | -47.3 | -172.5 | -57.2 | 163.2 | 0 | 0 | 0 | 110.9 | W109 L110 F140 Y141 I148 A149 | W109-I145 HydrophobicContact CH2-CD1 3.03Å; W109-I145 HydrophobicContact CH2-CG1 3.73Å; W109-I145 HydrophobicContact CH2-CG2 4.28Å; W109-I145 HydrophobicContact CZ2-CD1 3.51Å; W109-I145 HydrophobicContact CZ3-CD1 3.77Å; W109-I145 HydrophobicContact CZ3-CG1 4.22Å; W109-I145 HydrophobicContact CZ3-CG2 3.91Å; L110-I145 HydrophobicContact CD2-CG2 3.78Å; F140-I145 HydrophobicContact CD1-CD1 3.48Å; F140-I145 VanDerWaalsContact CD1-CD1 3.48Å; F140-I145 HydrophobicContact CD1-CG1 4Å; F140-I145 HydrophobicContact CE1-CD1 3.51Å; F140-I145 HydrophobicContact CE1-CG1 3.73Å; Y141-I145 HydrophobicContact CD2-CB 3.61Å; Y141-I145 HydrophobicContact CD2-CD1 3.89Å; Y141-I145 HydrophobicContact CD2-CG1 4.37Å; Y141-I145 HydrophobicContact CD2-CG2 3.69Å; Y141-I145 HydrophobicContact CE2-CB 4.06Å; Y141-I145 HydrophobicContact CE2-CG2 3.73Å; Y141-I145 HydrophobicContact CG-CB 4.5Å; Y141-I145 PolarHBondContact O-N 3.26Å; I145-I148 PolarHBondContact O-N 3.34Å; I145-I148 VanDerWaalsContact O-N 3.15Å; I145-A149 WeakPolarHBondContact O-CB 3.49Å; I145-A149 PolarHBondContact O-N 3.23Å |
| 146 | L | 80.7 | Confident | 81.5 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | -172.5 | 179.8 | 70.8 | 0 | 0 | 0 | 112.9 | I21 I26 Y141 I148 A149 H150 | I21-L146 HydrophobicContact CB-CD2 3.98Å; I21-L146 HydrophobicContact CD1-CB 4.36Å; I21-L146 HydrophobicContact CD1-CD1 4.35Å; I21-L146 HydrophobicContact CD1-CD2 3.69Å; I21-L146 HydrophobicContact CD1-CG 3.46Å; I21-L146 VanDerWaalsContact CD1-CG 3.46Å; I21-L146 HydrophobicContact CG1-CD2 4.43Å; I21-L146 HydrophobicContact CG2-CD1 4.22Å; I21-L146 HydrophobicContact CG2-CD2 3.63Å; I21-L146 HydrophobicContact CG2-CG 4.08Å; I26-L146 HydrophobicContact CG1-CD1 3.97Å; Y141-L146 HydrophobicContact CD1-CB 4.36Å; Y141-L146 HydrophobicContact CE1-CB 4Å; Y141-L146 HydrophobicContact CE1-CD1 3.82Å; Y141-L146 HydrophobicContact CE1-CD2 4.36Å; Y141-L146 HydrophobicContact CE1-CG 4.25Å; Y141-L146 HydrophobicContact CE2-CB 4.24Å; Y141-L146 WeakPolarHBondContact O-CB 3.28Å; Y141-L146 PolarHBondContact O-N 3.39Å; Y141-L146 WeakPolarHBondContact OH-CD1 3.03Å; L146-I148 PolarHBondContact O-N 2.82Å; L146-A149 PolarHBondContact O-N 3.27Å; L146-H150 VanDerWaalsContact O-CB 3.31Å; L146-H150 WeakPolarHBondContact O-CB 3.32Å; L146-H150 PolarHBondContact O-N 3.45Å |
| 147 | P | 80.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 173.8 | -21.3 | 32.2 | 0 | 0 | 0 | 113.9 | I15 V19 I144 H150 L151 | I15-P147 HydrophobicContact CB-CB 4.5Å; I15-P147 HydrophobicContact CG2-CB 3.48Å; I15-P147 VanDerWaalsContact CG2-CB 3.48Å; V19-P147 HydrophobicContact CB-CB 4.26Å; V19-P147 HydrophobicContact CG2-CB 3.89Å; I144-P147 WeakPolarHBondContact O-CD 3.4Å; P147-H150 PolarHBondContact O-N 2.92Å; P147-L151 PolarHBondContact O-N 2.88Å |
| 148 | I | 83.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -47.1 | 176 | -58.8 | 163.3 | 0 | 0 | 0 | 109.9 | F12 I144 I145 L146 H150 L151 Y152 | F12-I148 HydrophobicContact CD1-CD1 3.82Å; F12-I148 HydrophobicContact CD1-CG1 4.23Å; F12-I148 HydrophobicContact CE1-CD1 3.32Å; F12-I148 HydrophobicContact CE1-CG1 3.99Å; F12-I148 HydrophobicContact CZ-CD1 4.28Å; I144-I148 HydrophobicContact CG2-CD1 4.35Å; I144-I148 WeakPolarHBondContact O-CD1 3.29Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.46Å; I145-I148 PolarHBondContact O-N 3.34Å; I145-I148 VanDerWaalsContact O-N 3.15Å; L146-I148 PolarHBondContact O-N 2.82Å; I148-H150 VanDerWaalsContact C-N 3.28Å; I148-H150 PolarHBondContact O-N 3.28Å; I148-L151 PolarHBondContact O-N 3.33Å; I148-Y152 PolarHBondContact O-N 3.43Å |
| 149 | A | 86.5 | Confident | 84.1 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I26 L110 I145 L146 L151 Y152 Y153 | I26-A149 HydrophobicContact CD1-CB 4.46Å; I26-A149 HydrophobicContact CG2-CB 3.89Å; I26-A149 WeakPolarHBondContact CG2-O 3.42Å; L110-A149 HydrophobicContact CD1-CB 4.47Å; I145-A149 WeakPolarHBondContact O-CB 3.49Å; I145-A149 PolarHBondContact O-N 3.23Å; L146-A149 PolarHBondContact O-N 3.27Å; A149-L151 PolarHBondContact O-N 2.91Å; A149-Y152 PolarHBondContact O-N 3.49Å; A149-Y153 HydrophobicContact CB-CD2 4.1Å; A149-Y153 HydrophobicContact CB-CE2 4.4Å; A149-Y153 WeakPolarHBondContact O-CB 3.22Å; A149-Y153 VanDerWaalsContact O-CD2 3.3Å; A149-Y153 WeakPolarHBondContact O-CD2 2.99Å; A149-Y153 PolarHBondContact O-N 3.22Å |
| 150 | H | 86.5 | Confident | 85.3 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.8 | -48.4 | 176.7 | 179.6 | 79.2 | 0 | 0 | 0 | 112.2 | V19 I21 I26 L146 P147 I148 S154 | V19-H150 HydrophobicContact CG1-CB 3.99Å; V19-H150 WeakPolarHBondContact CG1-CD2 3.48Å; I21-H150 HydrophobicContact CD1-CB 4.34Å; I26-H150 WeakPolarHBondContact O-CA 3.36Å; I26-H150 PolarHBondContact O-ND1 3.36Å; L146-H150 VanDerWaalsContact O-CB 3.31Å; L146-H150 WeakPolarHBondContact O-CB 3.32Å; L146-H150 PolarHBondContact O-N 3.45Å; P147-H150 PolarHBondContact O-N 2.92Å; I148-H150 VanDerWaalsContact C-N 3.28Å; I148-H150 PolarHBondContact O-N 3.28Å; H150-S154 WeakPolarHBondContact O-CB 2.86Å; H150-S154 PolarHBondContact O-N 3.17Å |
| 151 | L | 85.1 | Confident | 86.4 | Confident | 98 Ų | 98 | 44.4 Ų | 44.4 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 178.4 | -75 | 167.3 | 0 | 0 | 0 | 111.8 | I15 P147 I148 A149 N155 | I15-L151 HydrophobicContact CD1-CD1 4.47Å; I15-L151 HydrophobicContact CG2-CD1 3.95Å; P147-L151 PolarHBondContact O-N 2.88Å; I148-L151 PolarHBondContact O-N 3.33Å; A149-L151 PolarHBondContact O-N 2.91Å; L151-N155 PolarHBondContact O-N 3.39Å |
| 152 | Y | 88.3 | Confident | 87.3 | Confident | 102 Ų | 102 | 48 Ų | 48 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -55.7 | 179.5 | 174.9 | -98.1 | 0 | 0 | 0 | 111.8 | I148 A149 S154 N155 W156 | I148-Y152 PolarHBondContact O-N 3.43Å; A149-Y152 PolarHBondContact O-N 3.49Å; Y152-S154 PolarHBondContact O-N 3.08Å; Y152-N155 PolarHBondContact O-N 2.9Å; Y152-W156 WeakPolarHBondContact O-CB 3.09Å; Y152-W156 PolarHBondContact O-N 3.36Å |
| 153 | Y | 89.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.1 | -29.1 | -175.2 | -80.4 | -74.5 | 0 | 0 | 0 | 112.9 | I26 L110 T112 I132 A149 W156 L157 | I26-Y153 HydrophobicContact CD1-CD2 4.34Å; I26-Y153 HydrophobicContact CD1-CE2 4.31Å; I26-Y153 HydrophobicContact CG2-CD2 3.55Å; I26-Y153 HydrophobicContact CG2-CE2 4.47Å; I26-Y153 HydrophobicContact CG2-CG 3.88Å; L110-Y153 HydrophobicContact CD1-CE2 4.02Å; T112-Y153 HydrophobicContact CG2-CE1 4.45Å; I132-Y153 HydrophobicContact CD1-CD1 3.52Å; I132-Y153 HydrophobicContact CD1-CE1 4.19Å; I132-Y153 HydrophobicContact CD1-CG 4.25Å; I132-Y153 HydrophobicContact CG2-CD1 4.26Å; I132-Y153 HydrophobicContact CG2-CE1 4.48Å; I132-Y153 HydrophobicContact CG2-CG 4.48Å; A149-Y153 HydrophobicContact CB-CD2 4.1Å; A149-Y153 HydrophobicContact CB-CE2 4.4Å; A149-Y153 WeakPolarHBondContact O-CB 3.22Å; A149-Y153 VanDerWaalsContact O-CD2 3.3Å; A149-Y153 WeakPolarHBondContact O-CD2 2.99Å; A149-Y153 PolarHBondContact O-N 3.22Å; Y153-W156 HydrophobicContact CD1-CE3 4.16Å; Y153-W156 PolarHBondContact O-N 2.95Å; Y153-L157 WeakPolarHBondContact O-CB 3.28Å; Y153-L157 WeakPolarHBondContact O-CG 3.2Å; Y153-L157 PolarHBondContact O-N 2.78Å |
| 154 | S | 88.8 | Confident | 89.5 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | H150 Y152 T158 | H150-S154 WeakPolarHBondContact O-CB 2.86Å; H150-S154 PolarHBondContact O-N 3.17Å; Y152-S154 PolarHBondContact O-N 3.08Å; S154-T158 PolarHBondContact O-N 3.1Å; S154-T158 PolarHBondContact O-OG1 2.72Å |
| 155 | N | 90.3 | Very high | 90.4 | Very high | 104 Ų | 104 | 44.4 Ų | 44.4 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -69.4 | -45.1 | 175.1 | -177 | 55 | 0 | 0 | 0 | 111.7 | L151 Y152 L157 T158 Q159 | L151-N155 PolarHBondContact O-N 3.39Å; Y152-N155 PolarHBondContact O-N 2.9Å; N155-L157 VanDerWaalsContact C-N 3.32Å; N155-L157 PolarHBondContact O-N 3.48Å; N155-T158 WeakPolarHBondContact O-CB 3.48Å; N155-T158 PolarHBondContact O-N 3.47Å; N155-Q159 WeakPolarHBondContact O-CG 3.01Å; N155-Q159 PolarHBondContact O-N 2.99Å |
| 156 | W | 92.6 | Very high | 91 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 176.8 | -176.8 | 90.2 | 0 | 0 | 0 | 111.7 | I54 S56 F114 I132 Y152 Y153 T158 Q159 C160 | I54-W156 HydrophobicContact CG2-CH2 3.65Å; I54-W156 HydrophobicContact CG2-CZ2 3.17Å; S56-W156 PolarHBondContact OG-NE1 3.26Å; F114-W156 AromaticContact CE1-CH2 3.67Å; F114-W156 HydrophobicContact CE1-CH2 3.67Å; F114-W156 AromaticContact CE1-CZ3 3.69Å; F114-W156 HydrophobicContact CE1-CZ3 3.69Å; F114-W156 HydrophobicContact CZ-CH2 4.26Å; I132-W156 HydrophobicContact CD1-CE3 3.86Å; I132-W156 HydrophobicContact CD1-CZ3 3.65Å; Y152-W156 WeakPolarHBondContact O-CB 3.09Å; Y152-W156 PolarHBondContact O-N 3.36Å; Y153-W156 HydrophobicContact CD1-CE3 4.16Å; Y153-W156 PolarHBondContact O-N 2.95Å; W156-T158 PolarHBondContact O-N 3.18Å; W156-Q159 WeakPolarHBondContact O-CB 3.15Å; W156-Q159 PolarHBondContact O-N 2.87Å; W156-Q159 VanDerWaalsContact O-N 3.13Å; W156-C160 PolarHBondContact O-N 3.13Å; W156-C160 PolarHBondContact O-SG 3.3Å |
| 157 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -45 | 174.8 | -83.5 | 171.7 | 0 | 0 | 0 | 112.5 | K29 L130 I132 Y153 N155 Q159 C160 L161 | K29-L157 HydrophobicContact CB-CB 4.32Å; K29-L157 HydrophobicContact CG-CB 3.8Å; K29-L157 HydrophobicContact CG-CD1 4.42Å; L130-L157 HydrophobicContact CB-CD2 4.09Å; L130-L157 HydrophobicContact CD2-CD2 3.33Å; L130-L157 HydrophobicContact CG-CD2 3.49Å; L130-L157 VanDerWaalsContact CG-CD2 3.49Å; I132-L157 HydrophobicContact CD1-CD1 3.86Å; I132-L157 HydrophobicContact CD1-CD2 3.56Å; I132-L157 HydrophobicContact CD1-CG 3.57Å; I132-L157 HydrophobicContact CG1-CD1 4.03Å; I132-L157 HydrophobicContact CG1-CD2 3.88Å; I132-L157 HydrophobicContact CG1-CG 4.16Å; Y153-L157 WeakPolarHBondContact O-CB 3.28Å; Y153-L157 WeakPolarHBondContact O-CG 3.2Å; Y153-L157 PolarHBondContact O-N 2.78Å; N155-L157 VanDerWaalsContact C-N 3.32Å; N155-L157 PolarHBondContact O-N 3.48Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 3.29Å; L157-C160 PolarHBondContact O-N 3.32Å; L157-L161 WeakPolarHBondContact O-CG 3.1Å; L157-L161 PolarHBondContact O-N 3.16Å |
| 158 | T | 94.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 176 | -72 | 0 | 0 | 0 | 0 | 111 | S154 N155 W156 L162 | S154-T158 PolarHBondContact O-N 3.1Å; S154-T158 PolarHBondContact O-OG1 2.72Å; N155-T158 WeakPolarHBondContact O-CB 3.48Å; N155-T158 PolarHBondContact O-N 3.47Å; W156-T158 PolarHBondContact O-N 3.18Å; T158-L162 HydrophobicContact CG2-CD1 3.78Å; T158-L162 HydrophobicContact CG2-CG 4.41Å; T158-L162 WeakPolarHBondContact O-CB 3.46Å; T158-L162 VanDerWaalsContact O-CG 3.27Å; T158-L162 WeakPolarHBondContact O-CG 3.34Å; T158-L162 PolarHBondContact O-N 3.32Å |
| 159 | Q | 95.5 | Very high | 92.6 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.5 | -65.7 | -66.3 | -26.4 | 0 | 0 | 112.3 | P55 N155 W156 L157 R163 | P55-Q159 HydrophobicContact CG-CB 3.93Å; N155-Q159 WeakPolarHBondContact O-CG 3.01Å; N155-Q159 PolarHBondContact O-N 2.99Å; W156-Q159 WeakPolarHBondContact O-CB 3.15Å; W156-Q159 PolarHBondContact O-N 2.87Å; W156-Q159 VanDerWaalsContact O-N 3.13Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 3.29Å; Q159-R163 WeakPolarHBondContact O-CB 3.06Å; Q159-R163 WeakPolarHBondContact O-CG 3.46Å; Q159-R163 PolarHBondContact O-N 3.14Å |
| 160 | C | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -49.9 | 177 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | W53 P55 W156 L157 R163 F164 | W53-C160 HydrophobicContact CE3-CB 4.35Å; W53-C160 HydrophobicContact CZ3-CB 4.37Å; W53-C160 WeakPolarHBondContact O-CA 3.4Å; P55-C160 WeakPolarHBondContact CD-SG 3.49Å; W156-C160 PolarHBondContact O-N 3.13Å; W156-C160 PolarHBondContact O-SG 3.3Å; L157-C160 PolarHBondContact O-N 3.32Å; C160-R163 PolarHBondContact O-N 3.47Å; C160-F164 WeakPolarHBondContact O-CB 3.34Å; C160-F164 PolarHBondContact O-N 2.99Å |
| 161 | L | 96.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.4 | -37.7 | -177 | -65.8 | -168.1 | 0 | 0 | 0 | 112.7 | K29 V31 M128 L130 L157 F164 Q165 | K29-L161 VanDerWaalsContact C-CD1 3.49Å; K29-L161 HydrophobicContact CB-CD1 3.4Å; K29-L161 VanDerWaalsContact CB-CD1 3.4Å; K29-L161 HydrophobicContact CB-CG 4.44Å; V31-L161 HydrophobicContact CB-CB 4.07Å; V31-L161 HydrophobicContact CB-CD1 4.22Å; V31-L161 HydrophobicContact CG1-CB 3.94Å; V31-L161 HydrophobicContact CG1-CD1 4.19Å; V31-L161 HydrophobicContact CG1-CD2 4.03Å; V31-L161 HydrophobicContact CG1-CG 4.29Å; M128-L161 HydrophobicContact CE-CD2 3.35Å; L130-L161 HydrophobicContact CB-CD2 4.21Å; L157-L161 WeakPolarHBondContact O-CG 3.1Å; L157-L161 PolarHBondContact O-N 3.16Å; L161-F164 PolarHBondContact O-N 3.34Å; L161-Q165 WeakPolarHBondContact O-CB 3.49Å; L161-Q165 PolarHBondContact O-N 3.33Å |
| 162 | L | 96 | Very high | 93.7 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.2 | -75 | 171.7 | 0 | 0 | 0 | 111.4 | T158 F164 Q165 L166 | T158-L162 HydrophobicContact CG2-CD1 3.78Å; T158-L162 HydrophobicContact CG2-CG 4.41Å; T158-L162 WeakPolarHBondContact O-CB 3.46Å; T158-L162 VanDerWaalsContact O-CG 3.27Å; T158-L162 WeakPolarHBondContact O-CG 3.34Å; T158-L162 PolarHBondContact O-N 3.32Å; L162-F164 VanDerWaalsContact C-N 3.34Å; L162-Q165 PolarHBondContact O-N 3.41Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 VanDerWaalsContact O-CG 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.07Å; L162-L166 PolarHBondContact O-N 3.38Å |
| 163 | R | 96.9 | Very high | 94 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.6 | -76.2 | -169.1 | -177.6 | -162.1 | 0.6 | 112 | W53 Q159 C160 Q165 L166 T167 | W53-R163 HydrophobicContact CB-CB 4.29Å; W53-R163 WeakPolarHBondContact O-CB 3.12Å; Q159-R163 WeakPolarHBondContact O-CB 3.06Å; Q159-R163 WeakPolarHBondContact O-CG 3.46Å; Q159-R163 PolarHBondContact O-N 3.14Å; C160-R163 PolarHBondContact O-N 3.47Å; R163-Q165 VanDerWaalsContact C-N 3.34Å; R163-L166 PolarHBondContact O-N 3.34Å; R163-T167 VanDerWaalsContact O-CB 3.28Å; R163-T167 WeakPolarHBondContact O-CB 3.44Å; R163-T167 PolarHBondContact O-N 3.49Å; R163-T167 PolarHBondContact O-OG1 3.35Å |
| 164 | F | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -49 | 175.4 | -171.6 | -81.3 | 0 | 0 | 0 | 110.7 | I33 I35 H43 V44 W53 M128 C160 L161 L162 L166 T167 Y168 | I33-F164 HydrophobicContact CD1-CD1 3.73Å; I33-F164 HydrophobicContact CD1-CE1 3.54Å; I33-F164 HydrophobicContact CG1-CD1 3.86Å; I33-F164 HydrophobicContact CG1-CE1 3.96Å; I33-F164 HydrophobicContact CG2-CD1 4.45Å; I33-F164 HydrophobicContact CG2-CE1 4.22Å; I35-F164 HydrophobicContact CD1-CE1 4.41Å; H43-F164 HydrophobicContact CB-CE2 3.94Å; H43-F164 HydrophobicContact CB-CZ 3.9Å; V44-F164 HydrophobicContact CG2-CE2 4.12Å; V44-F164 HydrophobicContact CG2-CZ 4.17Å; W53-F164 HydrophobicContact CB-CB 4.16Å; W53-F164 HydrophobicContact CB-CD2 4.36Å; W53-F164 HydrophobicContact CD2-CB 4.33Å; W53-F164 AromaticContact CD2-CD2 3.53Å; W53-F164 HydrophobicContact CD2-CD2 3.53Å; W53-F164 HydrophobicContact CD2-CE2 4.37Å; W53-F164 HydrophobicContact CD2-CG 4.42Å; W53-F164 AromaticContact CE2-CD2 3.75Å; W53-F164 HydrophobicContact CE3-CB 4.09Å; W53-F164 AromaticContact CE3-CD2 3.83Å; W53-F164 HydrophobicContact CE3-CD2 3.83Å; W53-F164 HydrophobicContact CE3-CG 4.44Å; W53-F164 HydrophobicContact CG-CB 4.38Å; W53-F164 AromaticContact CG-CD2 3.77Å; W53-F164 HydrophobicContact CG-CD2 3.77Å; W53-F164 HydrophobicContact CZ2-CD2 4.26Å; W53-F164 HydrophobicContact CZ2-CE2 4.45Å; W53-F164 HydrophobicContact CZ3-CD2 4.33Å; M128-F164 HydrophobicContact CE-CB 4.13Å; M128-F164 HydrophobicContact CE-CD1 3.7Å; M128-F164 HydrophobicContact CE-CD2 3.9Å; M128-F164 HydrophobicContact CE-CE1 4.05Å; M128-F164 HydrophobicContact CE-CE2 4.22Å; M128-F164 HydrophobicContact CE-CG 3.62Å; M128-F164 HydrophobicContact CE-CZ 4.29Å; M128-F164 HydrophobicContact SD-CE1 4.38Å; M128-F164 HydrophobicContact SD-CE2 4.39Å; M128-F164 HydrophobicContact SD-CZ 4.26Å; C160-F164 WeakPolarHBondContact O-CB 3.34Å; C160-F164 PolarHBondContact O-N 2.99Å; L161-F164 PolarHBondContact O-N 3.34Å; L162-F164 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 3.38Å; F164-T167 PolarHBondContact O-N 2.89Å; F164-Y168 AromaticContact CD1-CD2 3.93Å; F164-Y168 HydrophobicContact CD1-CD2 3.93Å; F164-Y168 AromaticContact CD2-CD2 3.76Å; F164-Y168 HydrophobicContact CD2-CD2 3.76Å; F164-Y168 AromaticContact CD2-CE2 3.69Å; F164-Y168 HydrophobicContact CD2-CE2 3.69Å; F164-Y168 AromaticContact CE1-CD2 3.84Å; F164-Y168 HydrophobicContact CE1-CD2 3.84Å; F164-Y168 AromaticContact CE2-CD2 3.69Å; F164-Y168 HydrophobicContact CE2-CD2 3.69Å; F164-Y168 AromaticContact CE2-CE2 3.64Å; F164-Y168 HydrophobicContact CE2-CE2 3.64Å; F164-Y168 AromaticContact CG-CD2 3.89Å; F164-Y168 HydrophobicContact CG-CD2 3.89Å; F164-Y168 HydrophobicContact CG-CE2 4.24Å; F164-Y168 AromaticContact CZ-CD2 3.74Å; F164-Y168 HydrophobicContact CZ-CD2 3.74Å; F164-Y168 HydrophobicContact CZ-CE2 4.13Å; F164-Y168 WeakPolarHBondContact O-CD2 3.48Å; F164-Y168 PolarHBondContact O-N 3.49Å; F164-Y168 VanDerWaalsContact O-N 3.11Å |
| 165 | Q | 96 | Very high | 94.6 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 177.3 | -169.5 | -178.3 | 3.1 | 0 | 0 | 111.4 | V31 V32 L161 L162 R163 T167 Y168 S169 | V31-Q165 HydrophobicContact CG2-CB 3.92Å; V31-Q165 HydrophobicContact CG2-CG 4.11Å; V32-Q165 PolarHBondContact O-NE2 2.93Å; L161-Q165 WeakPolarHBondContact O-CB 3.49Å; L161-Q165 PolarHBondContact O-N 3.33Å; L162-Q165 PolarHBondContact O-N 3.41Å; R163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-T167 VanDerWaalsContact C-N 3.31Å; Q165-T167 PolarHBondContact O-N 3.41Å; Q165-Y168 PolarHBondContact O-N 3.03Å; Q165-S169 VanDerWaalsContact CG-OG 3.3Å; Q165-S169 WeakPolarHBondContact CG-OG 3.29Å; Q165-S169 WeakPolarHBondContact O-CB 3.43Å; Q165-S169 PolarHBondContact O-N 2.94Å; Q165-S169 PolarHBondContact O-OG 2.95Å |
| 166 | L | 95.7 | Very high | 94.9 | Very high | 148 Ų | 148 | 53.4 Ų | 53.4 | 78% | 0.775 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.6 | -27.8 | 179.5 | -70.8 | 169.8 | 0 | 0 | 0 | 114 | L162 R163 F164 | L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 VanDerWaalsContact O-CG 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.07Å; L162-L166 PolarHBondContact O-N 3.38Å; R163-L166 PolarHBondContact O-N 3.34Å; F164-L166 PolarHBondContact O-N 3.38Å |
| 167 | T | 95.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -80.8 | -30.9 | -178.2 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | R52 R163 F164 Q165 | R52-T167 HydrophobicContact CB-CG2 4.46Å; R163-T167 VanDerWaalsContact O-CB 3.28Å; R163-T167 WeakPolarHBondContact O-CB 3.44Å; R163-T167 PolarHBondContact O-N 3.49Å; R163-T167 PolarHBondContact O-OG1 3.35Å; F164-T167 PolarHBondContact O-N 2.89Å; Q165-T167 VanDerWaalsContact C-N 3.31Å; Q165-T167 PolarHBondContact O-N 3.41Å |
| 168 | Y | 94.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -123.3 | -8.6 | -169.5 | -56.7 | -62.2 | 0 | 0 | 0 | 115.5 | I35 H43 T49 W53 F164 Q165 | I35-Y168 WeakPolarHBondContact CG2-O 2.91Å; H43-Y168 HydrophobicContact CB-CE2 4.26Å; H43-Y168 AromaticContact CD2-CD1 3.77Å; H43-Y168 AromaticContact CD2-CG 3.95Å; H43-Y168 AromaticContact CE1-CD1 3.87Å; H43-Y168 AromaticContact CE1-CE1 3.67Å; H43-Y168 AromaticContact CG-CE1 3.91Å; H43-Y168 AromaticContact CG-CZ 3.99Å; H43-Y168 AromaticContact ND1-CE1 3.68Å; H43-Y168 AromaticContact ND1-CZ 3.97Å; H43-Y168 AromaticContact NE2-CD1 3.61Å; H43-Y168 AromaticContact NE2-CE1 3.89Å; T49-Y168 WeakPolarHBondContact CB-OH 3.41Å; W53-Y168 AromaticContact CD1-CE2 3.87Å; W53-Y168 HydrophobicContact CG-CE2 4.35Å; F164-Y168 AromaticContact CD1-CD2 3.93Å; F164-Y168 HydrophobicContact CD1-CD2 3.93Å; F164-Y168 AromaticContact CD2-CD2 3.76Å; F164-Y168 HydrophobicContact CD2-CD2 3.76Å; F164-Y168 AromaticContact CD2-CE2 3.69Å; F164-Y168 HydrophobicContact CD2-CE2 3.69Å; F164-Y168 AromaticContact CE1-CD2 3.84Å; F164-Y168 HydrophobicContact CE1-CD2 3.84Å; F164-Y168 AromaticContact CE2-CD2 3.69Å; F164-Y168 HydrophobicContact CE2-CD2 3.69Å; F164-Y168 AromaticContact CE2-CE2 3.64Å; F164-Y168 HydrophobicContact CE2-CE2 3.64Å; F164-Y168 AromaticContact CG-CD2 3.89Å; F164-Y168 HydrophobicContact CG-CD2 3.89Å; F164-Y168 HydrophobicContact CG-CE2 4.24Å; F164-Y168 AromaticContact CZ-CD2 3.74Å; F164-Y168 HydrophobicContact CZ-CD2 3.74Å; F164-Y168 HydrophobicContact CZ-CE2 4.13Å; F164-Y168 WeakPolarHBondContact O-CD2 3.48Å; F164-Y168 PolarHBondContact O-N 3.49Å; F164-Y168 VanDerWaalsContact O-N 3.11Å; Q165-Y168 PolarHBondContact O-N 3.03Å |
| 169 | S | 86.4 | Confident | 95.1 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | trans | -84.3 | 0 | 176.1 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | I33 Q165 | I33-S169 WeakPolarHBondContact CG2-OG 3.5Å; Q165-S169 VanDerWaalsContact CG-OG 3.3Å; Q165-S169 WeakPolarHBondContact CG-OG 3.29Å; Q165-S169 WeakPolarHBondContact O-CB 3.43Å; Q165-S169 PolarHBondContact O-N 2.94Å; Q165-S169 PolarHBondContact O-OG 2.95Å |
Retrieved 169 of 169 residues in 38.1 ms
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