| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 40.2 | Very low | 229 Ų | 229 | 161.4 Ų | 161.4 | 100% | 1.128 | 85% | 0.852 | S | S | * | * | 0 | 143.6 | 0 | -79 | 159 | 66.9 | 0 | 0 | 109.1 | |||||
| 2 | E | 39.9 | Very low | 40.6 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | 46.1 | 140.5 | 154.3 | -62.1 | -165.1 | 109.6 | 0 | 0 | 124.5 | ||||
| 3 | K | 36.5 | Very low | 40.9 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -82 | 155.1 | 172.6 | -56.3 | 161.2 | 175.9 | 173.2 | 0 | 111.2 | ||||
| 4 | K | 40.5 | Very low | 41.9 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -175.4 | 104.9 | 131.4 | -97 | 147.6 | -172 | 171.9 | 0 | 108.7 | ||||
| 5 | S | 41.6 | Very low | 42.5 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | 74 | 81.9 | 91.9 | -163.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 6 | G | 41.7 | Very low | 42.7 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | -96.9 | 133.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I8 | G6-I8 PolarHBondContact O-N 3.21Š| ||
| 7 | R | 38.5 | Very low | 42.7 | Very low | 246 Ų | 246 | 139.5 Ų | 139.5 | 93% | 0.928 | 74% | 0.74 | S | S | * | * | trans | -62.4 | 127.9 | -173.7 | -76.1 | 172 | 166.1 | 162.6 | -5.9 | 112.6 | S9 | R7-S9 PolarHBondContact O-N 2.89Š| ||
| 8 | I | 37.6 | Very low | 43 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -71.2 | 107.3 | 158.9 | -61.1 | 173.4 | 0 | 0 | 0 | 107.5 | G6 K10 | G6-I8 PolarHBondContact O-N 3.21Å; I8-K10 PolarHBondContact O-N 3.05Å | ||
| 9 | S | 42.9 | Very low | 43.1 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -67.7 | 114.7 | 167 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | R7 G11 | R7-S9 PolarHBondContact O-N 2.89Å; S9-G11 PolarHBondContact O-N 2.86Å; S9-G11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | K | 40.2 | Very low | 43.1 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -60.5 | 115.8 | 174.8 | -70.5 | -178.5 | 176.7 | -180 | 0 | 108.9 | I8 V12 | I8-K10 PolarHBondContact O-N 3.05Å; K10-V12 PolarHBondContact O-N 3.05Å | ||
| 11 | G | 42.2 | Very low | 44.2 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -56.8 | 125.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S9 S13 | S9-G11 PolarHBondContact O-N 2.86Å; S9-G11 VanDerWaalsContact O-N 3.1Å; G11-S13 PolarHBondContact O-N 2.75Å; G11-S13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | V | 44.5 | Very low | 45.4 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 58% | 0.582 | 67% | 0.669 | S | S | * | * | trans | -70.1 | 107.4 | 173 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | K10 S14 | K10-V12 PolarHBondContact O-N 3.05Å; V12-S14 PolarHBondContact O-N 3.36Å | ||
| 13 | S | 44.9 | Very low | 46.9 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 45% | 0.448 | 66% | 0.657 | S | S | . | * | trans | -48.2 | 136.6 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | G11 S15 K16 | G11-S13 PolarHBondContact O-N 2.75Å; G11-S13 VanDerWaalsContact O-N 3.1Å; S13-S15 PolarHBondContact O-N 3.4Å; S13-S15 PolarHBondContact OG-OG 2.95Å; S13-K16 PolarHBondContact O-N 3.13Å | ||
| 14 | S | 54.7 | Low | 49 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.5 | -23.8 | 179.9 | 66 | 0 | 0 | 0 | 0 | 112.9 | V12 R17 K18 | V12-S14 PolarHBondContact O-N 3.36Å; S14-R17 PolarHBondContact O-N 3.25Å; S14-K18 PolarHBondContact O-N 2.84Å |
| 15 | S | 51.2 | Low | 51.1 | Low | 57 Ų | 57 | 113.4 Ų | 113.4 | 40% | 0.399 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -55.2 | -57.7 | 170.1 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | S13 R17 K18 D19 | S13-S15 PolarHBondContact O-N 3.4Å; S13-S15 PolarHBondContact OG-OG 2.95Å; S15-R17 PolarHBondContact O-N 3.15Å; S15-R17 VanDerWaalsContact O-N 3.09Å; S15-K18 WeakPolarHBondContact O-CA 3.45Å; S15-K18 WeakPolarHBondContact O-CB 3.42Å; S15-K18 PolarHBondContact O-N 3.23Å; S15-D19 VanDerWaalsContact C-OD2 3.31Å; S15-D19 PolarHBondContact O-N 2.97Å; S15-D19 VanDerWaalsContact O-OD2 3.1Å |
| 16 | K | 45.4 | Very low | 53.2 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -55.6 | -33.8 | 179.5 | -71.8 | -165.2 | 172.9 | -166.9 | 0 | 113.6 | S13 Q20 | S13-K16 PolarHBondContact O-N 3.13Å; K16-Q20 WeakPolarHBondContact O-CB 3.29Å; K16-Q20 WeakPolarHBondContact O-CG 3.35Å; K16-Q20 PolarHBondContact O-N 2.55Å |
| 17 | R | 43.5 | Very low | 55.6 | Low | 160 Ų | 160 | 115.7 Ų | 115.7 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -44.6 | 174 | -70.9 | -168.7 | -175.3 | -173.7 | 1.7 | 112 | S14 S15 D19 Q20 I21 | S14-R17 PolarHBondContact O-N 3.25Å; S15-R17 PolarHBondContact O-N 3.15Å; S15-R17 VanDerWaalsContact O-N 3.09Å; R17-D19 VanDerWaalsContact C-N 3.31Å; R17-D19 PolarHBondContact O-N 3.24Å; R17-Q20 PolarHBondContact O-N 3.47Å; R17-I21 WeakPolarHBondContact O-CB 3.25Å; R17-I21 WeakPolarHBondContact O-CD1 3.35Å; R17-I21 VanDerWaalsContact O-CG1 3.23Å; R17-I21 WeakPolarHBondContact O-CG1 3.39Å; R17-I21 PolarHBondContact O-N 3.17Å |
| 18 | K | 46.7 | Very low | 58.4 | Low | 159 Ų | 159 | 106 Ų | 106 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.3 | -41.6 | 175.1 | -74.2 | -171.3 | 176.6 | -172.3 | 0 | 111.5 | S14 S15 I21 G22 | S14-K18 PolarHBondContact O-N 2.84Å; S15-K18 WeakPolarHBondContact O-CA 3.45Å; S15-K18 WeakPolarHBondContact O-CB 3.42Å; S15-K18 PolarHBondContact O-N 3.23Å; K18-I21 PolarHBondContact O-N 3.31Å; K18-G22 PolarHBondContact O-N 3.03Å |
| 19 | D | 45.9 | Very low | 61.2 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 177.7 | -55 | -29.4 | 0 | 0 | 0 | 110.4 | S15 R17 I21 G22 T23 | S15-D19 VanDerWaalsContact C-OD2 3.31Å; S15-D19 PolarHBondContact O-N 2.97Å; S15-D19 VanDerWaalsContact O-OD2 3.1Å; R17-D19 VanDerWaalsContact C-N 3.31Å; R17-D19 PolarHBondContact O-N 3.24Å; D19-I21 PolarHBondContact O-N 2.83Å; D19-G22 PolarHBondContact O-N 3.21Å; D19-G22 VanDerWaalsContact O-N 3.17Å; D19-T23 PolarHBondContact O-N 3.08Å; D19-T23 PolarHBondContact O-OG1 3.11Å; D19-T23 VanDerWaalsContact O-OG1 3.12Å |
| 20 | Q | 42.4 | Very low | 63.7 | Low | 134 Ų | 134 | 97.6 Ų | 97.6 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 176.3 | -76.7 | 173.3 | -9.7 | 0 | 0 | 113.1 | K16 R17 G22 S24 | K16-Q20 WeakPolarHBondContact O-CB 3.29Å; K16-Q20 WeakPolarHBondContact O-CG 3.35Å; K16-Q20 PolarHBondContact O-N 2.55Å; R17-Q20 PolarHBondContact O-N 3.47Å; Q20-G22 VanDerWaalsContact C-N 3.33Å; Q20-S24 WeakPolarHBondContact O-CB 3.14Å; Q20-S24 PolarHBondContact O-N 3.17Å |
| 21 | I | 65.7 | Low | 66.3 | Low | 102 Ų | 102 | 92.9 Ų | 92.9 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -35.2 | 175.9 | -66.5 | 163.1 | 0 | 0 | 0 | 111 | R17 K18 D19 R25 | R17-I21 WeakPolarHBondContact O-CB 3.25Å; R17-I21 WeakPolarHBondContact O-CD1 3.35Å; R17-I21 VanDerWaalsContact O-CG1 3.23Å; R17-I21 WeakPolarHBondContact O-CG1 3.39Å; R17-I21 PolarHBondContact O-N 3.17Å; K18-I21 PolarHBondContact O-N 3.31Å; D19-I21 PolarHBondContact O-N 2.83Å; I21-R25 WeakPolarHBondContact O-CG 3.34Å; I21-R25 PolarHBondContact O-N 3.04Å; I21-R25 VanDerWaalsContact O-N 3.13Å |
| 22 | G | 66.1 | Low | 68.9 | Low | 21 Ų | 21 | 89.7 Ų | 89.7 | 22% | 0.216 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.2 | -53.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | K18 D19 Q20 S24 R25 N26 | K18-G22 PolarHBondContact O-N 3.03Å; D19-G22 PolarHBondContact O-N 3.21Å; D19-G22 VanDerWaalsContact O-N 3.17Å; Q20-G22 VanDerWaalsContact C-N 3.33Å; G22-S24 PolarHBondContact O-N 2.84Å; G22-R25 PolarHBondContact O-N 3.27Å; G22-N26 PolarHBondContact O-N 3.1Å |
| 23 | T | 71.7 | Confident | 71.2 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 58% | 0.577 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | D19 R25 N26 Q27 | D19-T23 PolarHBondContact O-N 3.08Å; D19-T23 PolarHBondContact O-OG1 3.11Å; D19-T23 VanDerWaalsContact O-OG1 3.12Å; T23-R25 PolarHBondContact O-N 2.85Å; T23-N26 PolarHBondContact O-N 3.44Å; T23-Q27 WeakPolarHBondContact O-CB 3.31Å; T23-Q27 PolarHBondContact O-N 3.29Å |
| 24 | S | 82.2 | Confident | 73.4 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 52% | 0.517 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | Q20 G22 Q27 F28 | Q20-S24 WeakPolarHBondContact O-CB 3.14Å; Q20-S24 PolarHBondContact O-N 3.17Å; G22-S24 PolarHBondContact O-N 2.84Å; S24-Q27 PolarHBondContact O-N 2.99Å; S24-F28 PolarHBondContact O-N 3.08Å |
| 25 | R | 82.9 | Confident | 75.1 | Confident | 124 Ų | 124 | 82.8 Ų | 82.8 | 47% | 0.468 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.2 | -37.4 | 175.5 | -72.5 | -171.8 | -56.4 | 167.1 | 3.4 | 113 | I21 G22 T23 Q27 F28 F29 | I21-R25 WeakPolarHBondContact O-CG 3.34Å; I21-R25 PolarHBondContact O-N 3.04Å; I21-R25 VanDerWaalsContact O-N 3.13Å; G22-R25 PolarHBondContact O-N 3.27Å; T23-R25 PolarHBondContact O-N 2.85Å; R25-Q27 VanDerWaalsContact C-N 3.31Å; R25-Q27 PolarHBondContact O-N 2.82Å; R25-F28 WeakPolarHBondContact O-CB 3.44Å; R25-F28 PolarHBondContact O-N 3.25Å; R25-F29 HydrophobicContact CB-CE2 4.11Å; R25-F29 WeakPolarHBondContact O-CD2 3.27Å; R25-F29 WeakPolarHBondContact O-CE2 3.19Å; R25-F29 PolarHBondContact O-N 3.22Å; R25-F29 VanDerWaalsContact O-N 3.12Å |
| 26 | N | 86.4 | Confident | 76.9 | Confident | 108 Ų | 108 | 80.2 Ų | 80.2 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 174.7 | -72.3 | -2.4 | 0 | 0 | 0 | 111.2 | G22 T23 F28 F29 E30 | G22-N26 PolarHBondContact O-N 3.1Å; T23-N26 PolarHBondContact O-N 3.44Å; N26-F28 VanDerWaalsContact C-N 3.35Å; N26-F29 PolarHBondContact O-N 3.15Å; N26-E30 WeakPolarHBondContact O-CB 3.22Å; N26-E30 PolarHBondContact O-N 3.35Å |
| 27 | Q | 92.8 | Very high | 78.8 | Confident | 133 Ų | 133 | 76.6 Ų | 76.6 | 62% | 0.621 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 173.9 | -173.1 | 178.4 | 2.3 | 0 | 0 | 112.2 | T23 S24 R25 E30 E31 | T23-Q27 WeakPolarHBondContact O-CB 3.31Å; T23-Q27 PolarHBondContact O-N 3.29Å; S24-Q27 PolarHBondContact O-N 2.99Å; R25-Q27 VanDerWaalsContact C-N 3.31Å; R25-Q27 PolarHBondContact O-N 2.82Å; Q27-E30 PolarHBondContact O-N 3.39Å; Q27-E31 WeakPolarHBondContact O-CB 3.39Å; Q27-E31 PolarHBondContact O-N 3.39Å |
| 28 | F | 96.3 | Very high | 80.7 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 18% | 0.18 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 174.1 | 170.8 | -97.9 | 0 | 0 | 0 | 112.1 | S24 R25 N26 E30 E31 M32 E46 E49 I50 | S24-F28 PolarHBondContact O-N 3.08Å; R25-F28 WeakPolarHBondContact O-CB 3.44Å; R25-F28 PolarHBondContact O-N 3.25Å; N26-F28 VanDerWaalsContact C-N 3.35Å; F28-E30 VanDerWaalsContact C-N 3.25Å; F28-E30 PolarHBondContact O-N 2.94Å; F28-E31 PolarHBondContact O-N 3Å; F28-E31 VanDerWaalsContact O-N 3.16Å; F28-M32 HydrophobicContact CD1-CG 4.32Å; F28-M32 HydrophobicContact CD2-CE 4.02Å; F28-M32 HydrophobicContact CD2-CG 4.24Å; F28-M32 HydrophobicContact CE1-CG 3.87Å; F28-M32 HydrophobicContact CE2-CE 3.74Å; F28-M32 HydrophobicContact CE2-CG 3.78Å; F28-M32 HydrophobicContact CE2-SD 3.81Å; F28-M32 HydrophobicContact CG-CG 4.49Å; F28-M32 HydrophobicContact CZ-CE 4.46Å; F28-M32 HydrophobicContact CZ-CG 3.58Å; F28-M32 HydrophobicContact CZ-SD 3.95Å; F28-M32 WeakPolarHBondContact O-CG 3.41Å; F28-M32 PolarHBondContact O-N 2.71Å; F28-E46 HydrophobicContact CE2-CB 4.39Å; F28-E46 HydrophobicContact CE2-CG 4.21Å; F28-E46 HydrophobicContact CZ-CB 4.04Å; F28-E46 HydrophobicContact CZ-CG 4.35Å; F28-E49 HydrophobicContact CE1-CB 3.82Å; F28-E49 HydrophobicContact CZ-CB 4.04Å; F28-I50 HydrophobicContact CE1-CG1 4.45Å |
| 29 | F | 96.8 | Very high | 82.4 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 178.6 | -57.6 | -58.5 | 0 | 0 | 0 | 112.4 | R25 N26 T33 I50 K53 L110 I113 | R25-F29 HydrophobicContact CB-CE2 4.11Å; R25-F29 WeakPolarHBondContact O-CD2 3.27Å; R25-F29 WeakPolarHBondContact O-CE2 3.19Å; R25-F29 PolarHBondContact O-N 3.22Å; R25-F29 VanDerWaalsContact O-N 3.12Å; N26-F29 PolarHBondContact O-N 3.15Å; F29-T33 PolarHBondContact O-N 3.33Å; F29-T33 VanDerWaalsContact O-N 3.07Å; F29-T33 PolarHBondContact O-OG1 3.43Å; F29-I50 HydrophobicContact CD1-CG1 4.32Å; F29-I50 HydrophobicContact CE1-CG1 4.42Å; F29-K53 HydrophobicContact CE1-CB 3.87Å; F29-K53 HydrophobicContact CE1-CG 3.96Å; F29-K53 HydrophobicContact CE2-CB 4.34Å; F29-K53 HydrophobicContact CE2-CD 4.04Å; F29-K53 HydrophobicContact CE2-CG 3.72Å; F29-K53 HydrophobicContact CZ-CB 3.53Å; F29-K53 HydrophobicContact CZ-CD 4.06Å; F29-K53 HydrophobicContact CZ-CG 3.41Å; F29-K53 VanDerWaalsContact CZ-CG 3.41Å; F29-L110 HydrophobicContact CB-CD2 3.86Å; F29-L110 HydrophobicContact CD1-CD2 3.84Å; F29-L110 HydrophobicContact CG-CD2 4.32Å; F29-I113 HydrophobicContact CB-CG2 4.22Å; F29-I113 HydrophobicContact CD1-CD1 4.04Å; F29-I113 HydrophobicContact CD1-CG2 4.32Å; F29-I113 HydrophobicContact CD2-CG2 3.66Å; F29-I113 HydrophobicContact CE1-CD1 4.14Å; F29-I113 HydrophobicContact CE2-CG2 4.16Å; F29-I113 HydrophobicContact CG-CG2 3.79Å |
| 30 | E | 94.9 | Very high | 84.2 | Confident | 87 Ų | 87 | 73 Ų | 73 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 171.7 | 170.7 | 145 | -119.7 | 0 | 0 | 112.3 | N26 Q27 F28 T33 N34 R114 | N26-E30 WeakPolarHBondContact O-CB 3.22Å; N26-E30 PolarHBondContact O-N 3.35Å; Q27-E30 PolarHBondContact O-N 3.39Å; F28-E30 VanDerWaalsContact C-N 3.25Å; F28-E30 PolarHBondContact O-N 2.94Å; E30-T33 WeakPolarHBondContact O-CB 3.46Å; E30-T33 PolarHBondContact O-N 3.01Å; E30-N34 VanDerWaalsContact O-CG 3.32Å; E30-N34 PolarHBondContact O-N 2.97Å; E30-N34 PolarHBondContact O-ND2 2.71Å; E30-R114 IonicContact OE1-CZ 3.66Å; E30-R114 IonicContact OE1-NH1 2.76Å; E30-R114 PolarHBondContact OE1-NH1 2.81Å; E30-R114 IonicContact OE1-NH2 3.67Å; E30-R114 PolarHBondContact OE1-NH2 2.84Å |
| 31 | E | 95.9 | Very high | 86.3 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 46% | 0.458 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.9 | -175.2 | 58.9 | -160.5 | 0 | 0 | 111.8 | Q27 F28 T33 N34 R35 | Q27-E31 WeakPolarHBondContact O-CB 3.39Å; Q27-E31 PolarHBondContact O-N 3.39Å; F28-E31 PolarHBondContact O-N 3Å; F28-E31 VanDerWaalsContact O-N 3.16Å; E31-T33 PolarHBondContact O-N 2.96Å; E31-N34 PolarHBondContact O-N 3.35Å; E31-N34 VanDerWaalsContact O-N 3.09Å; E31-R35 HydrophobicContact CG-CG 4.43Å; E31-R35 WeakPolarHBondContact O-CG 3.39Å; E31-R35 PolarHBondContact O-N 2.93Å |
| 32 | M | 96.3 | Very high | 87.7 | Confident | 7 Ų | 7 | 66 Ų | 66 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -34.6 | 176.7 | -62.4 | -52.7 | 103.6 | 0 | 0 | 112.3 | F28 L36 L42 E46 I50 L110 | F28-M32 HydrophobicContact CD1-CG 4.32Å; F28-M32 HydrophobicContact CD2-CE 4.02Å; F28-M32 HydrophobicContact CD2-CG 4.24Å; F28-M32 HydrophobicContact CE1-CG 3.87Å; F28-M32 HydrophobicContact CE2-CE 3.74Å; F28-M32 HydrophobicContact CE2-CG 3.78Å; F28-M32 HydrophobicContact CE2-SD 3.81Å; F28-M32 HydrophobicContact CG-CG 4.49Å; F28-M32 HydrophobicContact CZ-CE 4.46Å; F28-M32 HydrophobicContact CZ-CG 3.58Å; F28-M32 HydrophobicContact CZ-SD 3.95Å; F28-M32 WeakPolarHBondContact O-CG 3.41Å; F28-M32 PolarHBondContact O-N 2.71Å; M32-L36 WeakPolarHBondContact O-CG 3.34Å; M32-L36 PolarHBondContact O-N 3.33Å; M32-L36 VanDerWaalsContact O-N 3.15Å; M32-L42 HydrophobicContact CB-CD1 4.42Å; M32-L42 HydrophobicContact CB-CD2 4.47Å; M32-L42 HydrophobicContact SD-CD2 3.71Å; M32-E46 WeakPolarHBondContact CE-OE1 3.47Å; M32-E46 HydrophobicContact SD-CB 3.84Å; M32-E46 VanDerWaalsContact SD-CD 3.59Å; M32-E46 HydrophobicContact SD-CG 4.06Å; M32-I50 HydrophobicContact CB-CD1 4.1Å; M32-I50 HydrophobicContact CG-CD1 4.2Å; M32-L110 HydrophobicContact CB-CD1 3.78Å; M32-L110 HydrophobicContact CB-CD2 3.91Å |
| 33 | T | 92.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 174.4 | -51 | 0 | 0 | 0 | 0 | 110.4 | F29 E30 E31 R35 L36 L37 L107 R114 | F29-T33 PolarHBondContact O-N 3.33Å; F29-T33 VanDerWaalsContact O-N 3.07Å; F29-T33 PolarHBondContact O-OG1 3.43Å; E30-T33 WeakPolarHBondContact O-CB 3.46Å; E30-T33 PolarHBondContact O-N 3.01Å; E31-T33 PolarHBondContact O-N 2.96Å; T33-R35 PolarHBondContact O-N 2.79Å; T33-L36 PolarHBondContact O-N 3.22Å; T33-L37 HydrophobicContact CG2-CD1 4.14Å; T33-L37 VanDerWaalsContact O-CG 3.31Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 2.85Å; T33-L107 HydrophobicContact CG2-CD1 3.96Å; T33-R114 VanDerWaalsContact OG1-CD 3.26Å; T33-R114 WeakPolarHBondContact OG1-CD 3.28Å |
| 34 | N | 91.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 67 Ų | 67 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | -179.1 | -65.2 | -25 | 0 | 0 | 0 | 111.7 | E30 E31 L37 T38 | E30-N34 VanDerWaalsContact O-CG 3.32Å; E30-N34 PolarHBondContact O-N 2.97Å; E30-N34 PolarHBondContact O-ND2 2.71Å; E31-N34 PolarHBondContact O-N 3.35Å; E31-N34 VanDerWaalsContact O-N 3.09Å; N34-L37 PolarHBondContact O-N 2.98Å; N34-T38 PolarHBondContact O-N 2.77Å; N34-T38 PolarHBondContact O-OG1 3.38Å |
| 35 | R | 90.8 | Very high | 91 | Very high | 29 Ų | 29 | 70 Ų | 70 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.3 | -72.1 | -179.4 | 70.7 | -139.6 | -7.6 | 112.1 | E31 T33 L37 T38 R39 D40 V41 L42 E46 | E31-R35 HydrophobicContact CG-CG 4.43Å; E31-R35 WeakPolarHBondContact O-CG 3.39Å; E31-R35 PolarHBondContact O-N 2.93Å; T33-R35 PolarHBondContact O-N 2.79Å; R35-L37 PolarHBondContact O-N 3.06Å; R35-T38 CarbonylContact O-C 3.47Å; R35-T38 PolarHBondContact O-N 2.78Å; R35-T38 PolarHBondContact O-OG1 3.03Å; R35-R39 PolarHBondContact O-N 3.46Å; R35-R39 VanDerWaalsContact O-N 3.11Å; R35-D40 HydrophobicContact CB-CB 4.1Å; R35-D40 IonicContact CZ-OD2 3.19Å; R35-D40 IonicContact NE-OD2 2.74Å; R35-D40 PolarHBondContact NE-OD2 3.23Å; R35-D40 IonicContact NH2-OD1 3.77Å; R35-D40 IonicContact NH2-OD2 2.78Å; R35-D40 PolarHBondContact NH2-OD2 3.45Å; R35-D40 PolarHBondContact O-N 3.05Å; R35-V41 PolarHBondContact NH2-O 3.2Å; R35-L42 HydrophobicContact CB-CD2 4.08Å; R35-E46 IonicContact CZ-OE2 3.79Å; R35-E46 IonicContact NH1-OE1 2.88Å; R35-E46 PolarHBondContact NH1-OE1 3.49Å; R35-E46 IonicContact NH1-OE2 2.71Å; R35-E46 PolarHBondContact NH1-OE2 2.82Å |
| 36 | L | 87.8 | Confident | 91.7 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174 | -71.1 | 179.6 | 0 | 0 | 0 | 112.1 | M32 T33 T38 R39 L42 F81 E103 C106 L107 L110 | M32-L36 WeakPolarHBondContact O-CG 3.34Å; M32-L36 PolarHBondContact O-N 3.33Å; M32-L36 VanDerWaalsContact O-N 3.15Å; T33-L36 PolarHBondContact O-N 3.22Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 2.82Å; L36-R39 WeakPolarHBondContact O-CA 3.38Å; L36-R39 PolarHBondContact O-N 3.28Å; L36-L42 HydrophobicContact CD1-CD1 4.02Å; L36-L42 HydrophobicContact CD2-CD1 4.01Å; L36-L42 HydrophobicContact CD2-CD2 4.39Å; L36-L42 HydrophobicContact CD2-CG 3.81Å; L36-L42 HydrophobicContact CG-CD1 3.97Å; L36-L42 HydrophobicContact CG-CD2 4.38Å; L36-L42 HydrophobicContact CG-CG 4.13Å; L36-F81 HydrophobicContact CB-CZ 4.3Å; L36-F81 VanDerWaalsContact O-CZ 3.3Å; L36-F81 WeakPolarHBondContact O-CZ 3.08Å; L36-E103 HydrophobicContact CD2-CB 3.98Å; L36-E103 HydrophobicContact CD2-CG 4Å; L36-C106 HydrophobicContact CD1-CB 3.76Å; L36-L107 HydrophobicContact CB-CD1 4.45Å; L36-L107 HydrophobicContact CD1-CB 3.81Å; L36-L110 HydrophobicContact CD1-CD1 3.7Å |
| 37 | L | 85.3 | Confident | 92.2 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 178 | -68.5 | 173.5 | 0 | 0 | 0 | 113 | T33 N34 R35 R39 I85 F88 L107 | T33-L37 HydrophobicContact CG2-CD1 4.14Å; T33-L37 VanDerWaalsContact O-CG 3.31Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 2.85Å; N34-L37 PolarHBondContact O-N 2.98Å; R35-L37 PolarHBondContact O-N 3.06Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-I85 HydrophobicContact CD2-CG1 4.18Å; L37-F88 HydrophobicContact CD2-CD2 4.49Å; L37-F88 HydrophobicContact CD2-CE2 3.86Å; L37-L107 HydrophobicContact CD2-CD1 4.32Å; L37-L107 HydrophobicContact CD2-CD2 4.09Å; L37-L107 HydrophobicContact CG-CD1 4.44Å |
| 38 | T | 84.2 | Confident | 92.5 | Very high | 112 Ų | 112 | 56.2 Ų | 56.2 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.1 | 172.5 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | N34 R35 L36 D40 | N34-T38 PolarHBondContact O-N 2.77Å; N34-T38 PolarHBondContact O-OG1 3.38Å; R35-T38 CarbonylContact O-C 3.47Å; R35-T38 PolarHBondContact O-N 2.78Å; R35-T38 PolarHBondContact O-OG1 3.03Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 2.82Å; T38-D40 VanDerWaalsContact C-N 3.34Å |
| 39 | R | 81.9 | Confident | 92.6 | Very high | 154 Ų | 154 | 58.9 Ų | 58.9 | 58% | 0.581 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 28.2 | -177.4 | -48.3 | -176.8 | 179.1 | 169.4 | 3.3 | 114.9 | R35 L36 L37 F81 | R35-R39 PolarHBondContact O-N 3.46Å; R35-R39 VanDerWaalsContact O-N 3.11Å; L36-R39 WeakPolarHBondContact O-CA 3.38Å; L36-R39 PolarHBondContact O-N 3.28Å; L37-R39 VanDerWaalsContact C-N 3.32Å; R39-F81 HydrophobicContact CG-CE1 4.36Å |
| 40 | D | 84.2 | Confident | 92.6 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 147.2 | 166.6 | -171.5 | 25.3 | 0 | 0 | 0 | 110.8 | R35 T38 | R35-D40 HydrophobicContact CB-CB 4.1Å; R35-D40 IonicContact CZ-OD2 3.19Å; R35-D40 IonicContact NE-OD2 2.74Å; R35-D40 PolarHBondContact NE-OD2 3.23Å; R35-D40 IonicContact NH2-OD1 3.77Å; R35-D40 IonicContact NH2-OD2 2.78Å; R35-D40 PolarHBondContact NH2-OD2 3.45Å; R35-D40 PolarHBondContact O-N 3.05Å; T38-D40 VanDerWaalsContact C-N 3.34Å |
| 41 | V | 87.4 | Confident | 92.8 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 127.7 | -173.2 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | R35 | R35-V41 PolarHBondContact NH2-O 3.2Š|
| 42 | L | 93.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 146.1 | 176.4 | -55.9 | -170.7 | 0 | 0 | 0 | 111.2 | M32 R35 L36 I47 I50 C106 Y145 | M32-L42 HydrophobicContact CB-CD1 4.42Å; M32-L42 HydrophobicContact CB-CD2 4.47Å; M32-L42 HydrophobicContact SD-CD2 3.71Å; R35-L42 HydrophobicContact CB-CD2 4.08Å; L36-L42 HydrophobicContact CD1-CD1 4.02Å; L36-L42 HydrophobicContact CD2-CD1 4.01Å; L36-L42 HydrophobicContact CD2-CD2 4.39Å; L36-L42 HydrophobicContact CD2-CG 3.81Å; L36-L42 HydrophobicContact CG-CD1 3.97Å; L36-L42 HydrophobicContact CG-CD2 4.38Å; L36-L42 HydrophobicContact CG-CG 4.13Å; L42-I47 HydrophobicContact CB-CD1 4.19Å; L42-I47 HydrophobicContact CB-CG1 3.8Å; L42-I47 HydrophobicContact CD1-CG1 4.27Å; L42-I50 HydrophobicContact CD1-CD1 3.67Å; L42-C106 HydrophobicContact CD1-CB 4.45Å; L42-Y145 WeakPolarHBondContact O-CE1 2.95Å; L42-Y145 PolarHBondContact O-OH 3.3Å |
| 43 | H | 95.8 | Very high | 93 | Very high | 114 Ų | 114 | 58.1 Ų | 58.1 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -77 | 157.1 | 171 | -62 | -66.7 | 0 | 0 | 0 | 110.9 | E45 E46 I47 | H43-E45 VanDerWaalsContact C-N 3.28Å; H43-E45 PolarHBondContact O-N 3.37Å; H43-E46 HydrophobicContact CB-CG 4.15Å; H43-E46 WeakPolarHBondContact CB-OE2 3.42Å; H43-E46 IonicContact CD2-OE2 3.3Å; H43-E46 PolarHBondContact CD2-OE2 2.89Å; H43-E46 VanDerWaalsContact CD2-OE2 3.3Å; H43-E46 IonicContact CG-OE2 3.8Å; H43-E46 PolarHBondContact N-OE2 3.15Å; H43-E46 WeakPolarHBondContact O-CB 3.48Å; H43-E46 PolarHBondContact O-N 2.64Å; H43-I47 PolarHBondContact O-N 2.87Å; H43-I47 VanDerWaalsContact O-N 3.08Å |
| 44 | G | 96.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 58 Ų | 58 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -40.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E46 I47 I48 | G44-E46 VanDerWaalsContact C-N 3.33Å; G44-E46 PolarHBondContact O-N 3.4Å; G44-I47 PolarHBondContact O-N 2.73Å; G44-I48 VanDerWaalsContact O-CG1 3.22Å; G44-I48 WeakPolarHBondContact O-CG1 3.41Å; G44-I48 PolarHBondContact O-N 2.75Å |
| 45 | E | 96.6 | Very high | 93.6 | Very high | 137 Ų | 137 | 55.4 Ų | 55.4 | 64% | 0.64 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 175.9 | -61.6 | 83.1 | 173.7 | 0 | 0 | 112.3 | H43 I48 E49 | H43-E45 VanDerWaalsContact C-N 3.28Å; H43-E45 PolarHBondContact O-N 3.37Å; E45-I48 WeakPolarHBondContact O-CB 3.43Å; E45-I48 PolarHBondContact O-N 2.74Å; E45-E49 PolarHBondContact O-N 3.44Å |
| 46 | E | 97.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 179 | -61 | 177.1 | 127 | 0 | 0 | 111.2 | F28 M32 R35 H43 G44 I48 E49 I50 | F28-E46 HydrophobicContact CE2-CB 4.39Å; F28-E46 HydrophobicContact CE2-CG 4.21Å; F28-E46 HydrophobicContact CZ-CB 4.04Å; F28-E46 HydrophobicContact CZ-CG 4.35Å; M32-E46 WeakPolarHBondContact CE-OE1 3.47Å; M32-E46 HydrophobicContact SD-CB 3.84Å; M32-E46 VanDerWaalsContact SD-CD 3.59Å; M32-E46 HydrophobicContact SD-CG 4.06Å; R35-E46 IonicContact CZ-OE2 3.79Å; R35-E46 IonicContact NH1-OE1 2.88Å; R35-E46 PolarHBondContact NH1-OE1 3.49Å; R35-E46 IonicContact NH1-OE2 2.71Å; R35-E46 PolarHBondContact NH1-OE2 2.82Å; H43-E46 HydrophobicContact CB-CG 4.15Å; H43-E46 WeakPolarHBondContact CB-OE2 3.42Å; H43-E46 IonicContact CD2-OE2 3.3Å; H43-E46 PolarHBondContact CD2-OE2 2.89Å; H43-E46 VanDerWaalsContact CD2-OE2 3.3Å; H43-E46 IonicContact CG-OE2 3.8Å; H43-E46 PolarHBondContact N-OE2 3.15Å; H43-E46 WeakPolarHBondContact O-CB 3.48Å; H43-E46 PolarHBondContact O-N 2.64Å; G44-E46 VanDerWaalsContact C-N 3.33Å; G44-E46 PolarHBondContact O-N 3.4Å; E46-I48 VanDerWaalsContact C-N 3.34Å; E46-E49 PolarHBondContact O-N 3.07Å; E46-I50 WeakPolarHBondContact O-CG1 3.22Å; E46-I50 PolarHBondContact O-N 3.26Å; E46-I50 VanDerWaalsContact O-N 3.14Å |
| 47 | I | 98 | Very high | 94.4 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 173.4 | -58.3 | 169.4 | 0 | 0 | 0 | 110.2 | L42 H43 G44 E49 I50 L51 I102 Y145 L149 F153 | L42-I47 HydrophobicContact CB-CD1 4.19Å; L42-I47 HydrophobicContact CB-CG1 3.8Å; L42-I47 HydrophobicContact CD1-CG1 4.27Å; H43-I47 PolarHBondContact O-N 2.87Å; H43-I47 VanDerWaalsContact O-N 3.08Å; G44-I47 PolarHBondContact O-N 2.73Å; I47-E49 VanDerWaalsContact C-N 3.34Å; I47-E49 PolarHBondContact O-N 3.45Å; I47-I50 WeakPolarHBondContact O-CB 3.38Å; I47-I50 PolarHBondContact O-N 2.77Å; I47-I50 VanDerWaalsContact O-N 3.13Å; I47-L51 HydrophobicContact CG2-CD1 3.92Å; I47-L51 HydrophobicContact CG2-CG 4.04Å; I47-L51 VanDerWaalsContact O-CG 3.29Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.12Å; I47-I102 HydrophobicContact CD1-CG2 3.98Å; I47-Y145 HydrophobicContact CD1-CE1 3.88Å; I47-Y145 HydrophobicContact CD1-CE2 3.96Å; I47-Y145 VanDerWaalsContact CD1-CZ 3.49Å; I47-Y145 WeakPolarHBondContact CD1-OH 3.17Å; I47-L149 HydrophobicContact CB-CD1 4.2Å; I47-L149 HydrophobicContact CD1-CD2 4.37Å; I47-L149 HydrophobicContact CG2-CD1 3.69Å; I47-F153 HydrophobicContact CG2-CE2 4.25Å; I47-F153 HydrophobicContact CG2-CZ 4.14Å |
| 48 | I | 98.2 | Very high | 95 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 175.7 | -71.3 | 167 | 0 | 0 | 0 | 111.2 | G44 E45 E46 I50 L51 E52 R152 | G44-I48 VanDerWaalsContact O-CG1 3.22Å; G44-I48 WeakPolarHBondContact O-CG1 3.41Å; G44-I48 PolarHBondContact O-N 2.75Å; E45-I48 WeakPolarHBondContact O-CB 3.43Å; E45-I48 PolarHBondContact O-N 2.74Å; E46-I48 VanDerWaalsContact C-N 3.34Å; I48-I50 VanDerWaalsContact C-N 3.33Å; I48-I50 PolarHBondContact O-N 3.23Å; I48-L51 PolarHBondContact O-N 3.48Å; I48-E52 HydrophobicContact CG2-CG 4.38Å; I48-E52 WeakPolarHBondContact CG2-OE1 3.48Å; I48-E52 WeakPolarHBondContact O-CB 3.49Å; I48-E52 WeakPolarHBondContact O-CG 3.48Å; I48-E52 PolarHBondContact O-N 2.82Å; I48-R152 VanDerWaalsContact CG2-NH1 3.34Å |
| 49 | E | 97.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 52.8 Ų | 52.8 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | 175.7 | -74 | -160.5 | -141.3 | 0 | 0 | 113 | F28 E45 E46 I47 K53 | F28-E49 HydrophobicContact CE1-CB 3.82Å; F28-E49 HydrophobicContact CZ-CB 4.04Å; E45-E49 PolarHBondContact O-N 3.44Å; E46-E49 PolarHBondContact O-N 3.07Å; I47-E49 VanDerWaalsContact C-N 3.34Å; I47-E49 PolarHBondContact O-N 3.45Å; E49-K53 VanDerWaalsContact O-CB 3.22Å; E49-K53 WeakPolarHBondContact O-CB 3.27Å; E49-K53 PolarHBondContact O-N 3.49Å |
| 50 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 173.7 | -65.6 | 164.9 | 0 | 0 | 0 | 110.7 | F28 F29 M32 L42 E46 I47 I48 K53 V54 F109 L110 I113 | F28-I50 HydrophobicContact CE1-CG1 4.45Å; F29-I50 HydrophobicContact CD1-CG1 4.32Å; F29-I50 HydrophobicContact CE1-CG1 4.42Å; M32-I50 HydrophobicContact CB-CD1 4.1Å; M32-I50 HydrophobicContact CG-CD1 4.2Å; L42-I50 HydrophobicContact CD1-CD1 3.67Å; E46-I50 WeakPolarHBondContact O-CG1 3.22Å; E46-I50 PolarHBondContact O-N 3.26Å; E46-I50 VanDerWaalsContact O-N 3.14Å; I47-I50 WeakPolarHBondContact O-CB 3.38Å; I47-I50 PolarHBondContact O-N 2.77Å; I47-I50 VanDerWaalsContact O-N 3.13Å; I48-I50 VanDerWaalsContact C-N 3.33Å; I48-I50 PolarHBondContact O-N 3.23Å; I50-K53 PolarHBondContact O-N 2.9Å; I50-V54 PolarHBondContact O-N 2.84Å; I50-F109 HydrophobicContact CG2-CB 3.93Å; I50-L110 HydrophobicContact CD1-CD1 3.84Å; I50-L110 HydrophobicContact CD1-CD2 3.87Å; I50-L110 HydrophobicContact CD1-CG 3.94Å; I50-L110 HydrophobicContact CG1-CD2 3.8Å; I50-L110 HydrophobicContact CG1-CG 4.23Å; I50-L110 HydrophobicContact CG2-CD2 4.38Å; I50-L110 HydrophobicContact CG2-CG 4.18Å; I50-I113 HydrophobicContact CG2-CD1 4.11Å |
| 51 | L | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | -178.3 | -66.6 | 175.9 | 0 | 0 | 0 | 111.7 | I47 I48 K53 V54 A55 F109 L149 R152 F153 V156 | I47-L51 HydrophobicContact CG2-CD1 3.92Å; I47-L51 HydrophobicContact CG2-CG 4.04Å; I47-L51 VanDerWaalsContact O-CG 3.29Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.12Å; I48-L51 PolarHBondContact O-N 3.48Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.19Å; L51-V54 PolarHBondContact O-N 2.89Å; L51-A55 VanDerWaalsContact O-CB 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.47Å; L51-A55 PolarHBondContact O-N 3.49Å; L51-F109 HydrophobicContact CD2-CD2 3.76Å; L51-F109 HydrophobicContact CD2-CE2 3.57Å; L51-L149 HydrophobicContact CD1-CD1 3.9Å; L51-R152 HydrophobicContact CD1-CB 3.78Å; L51-F153 HydrophobicContact CD1-CD2 4.1Å; L51-F153 HydrophobicContact CD1-CE2 4.18Å; L51-F153 HydrophobicContact CD1-CG 4.27Å; L51-F153 HydrophobicContact CD1-CZ 4.43Å; L51-F153 HydrophobicContact CD2-CD1 3.66Å; L51-F153 HydrophobicContact CD2-CE1 3.62Å; L51-F153 HydrophobicContact CD2-CG 4.17Å; L51-F153 HydrophobicContact CD2-CZ 4.09Å; L51-V156 HydrophobicContact CB-CG2 3.77Å; L51-V156 HydrophobicContact CD2-CB 4.35Å; L51-V156 HydrophobicContact CD2-CG2 3.67Å; L51-V156 HydrophobicContact CG-CG2 4.28Å; L51-V156 WeakPolarHBondContact O-CG2 3.48Å |
| 52 | E | 98 | Very high | 97.4 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.7 | -71.6 | -179.2 | -172.7 | 0 | 0 | 111.7 | I48 A56 R152 | I48-E52 HydrophobicContact CG2-CG 4.38Å; I48-E52 WeakPolarHBondContact CG2-OE1 3.48Å; I48-E52 WeakPolarHBondContact O-CB 3.49Å; I48-E52 WeakPolarHBondContact O-CG 3.48Å; I48-E52 PolarHBondContact O-N 2.82Å; E52-A56 PolarHBondContact O-N 2.63Å; E52-R152 IonicContact OE1-NH1 3.6Å; E52-R152 PolarHBondContact OE1-NH1 3.39Å |
| 53 | K | 98 | Very high | 97.6 | Very high | 64 Ų | 64 | 49.1 Ų | 49.1 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 176.2 | 176.4 | 64.4 | -178 | 171.7 | 0 | 112.4 | F29 E49 I50 L51 A56 V57 I113 | F29-K53 HydrophobicContact CE1-CB 3.87Å; F29-K53 HydrophobicContact CE1-CG 3.96Å; F29-K53 HydrophobicContact CE2-CB 4.34Å; F29-K53 HydrophobicContact CE2-CD 4.04Å; F29-K53 HydrophobicContact CE2-CG 3.72Å; F29-K53 HydrophobicContact CZ-CB 3.53Å; F29-K53 HydrophobicContact CZ-CD 4.06Å; F29-K53 HydrophobicContact CZ-CG 3.41Å; F29-K53 VanDerWaalsContact CZ-CG 3.41Å; E49-K53 VanDerWaalsContact O-CB 3.22Å; E49-K53 WeakPolarHBondContact O-CB 3.27Å; E49-K53 PolarHBondContact O-N 3.49Å; I50-K53 PolarHBondContact O-N 2.9Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.19Å; K53-A56 PolarHBondContact O-N 3.39Å; K53-V57 WeakPolarHBondContact O-CG2 3.29Å; K53-V57 PolarHBondContact O-N 2.76Å; K53-V57 VanDerWaalsContact O-N 3.08Å; K53-I113 HydrophobicContact CB-CD1 3.91Å; K53-I113 HydrophobicContact CG-CB 4.48Å; K53-I113 HydrophobicContact CG-CD1 3.6Å; K53-I113 HydrophobicContact CG-CG1 3.77Å; K53-I113 HydrophobicContact CG-CG2 3.85Å |
| 54 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.6 | -34.2 | -176.4 | 79.7 | 0 | 0 | 0 | 0 | 111.6 | I50 L51 A56 V57 F58 F109 K112 I113 V156 | I50-V54 PolarHBondContact O-N 2.84Å; L51-V54 PolarHBondContact O-N 2.89Å; V54-A56 VanDerWaalsContact C-N 3.28Å; V54-A56 PolarHBondContact O-N 3.04Å; V54-V57 WeakPolarHBondContact O-CA 3.22Å; V54-V57 WeakPolarHBondContact O-CB 3.29Å; V54-V57 PolarHBondContact O-N 3.1Å; V54-F58 HydrophobicContact CB-CE2 4.47Å; V54-F58 HydrophobicContact CG1-CD2 4.48Å; V54-F58 HydrophobicContact CG1-CE2 4.23Å; V54-F58 HydrophobicContact CG2-CD2 3.98Å; V54-F58 HydrophobicContact CG2-CE2 3.58Å; V54-F58 HydrophobicContact CG2-CZ 4.01Å; V54-F58 WeakPolarHBondContact O-CD2 3.2Å; V54-F58 PolarHBondContact O-N 2.92Å; V54-F109 HydrophobicContact CB-CB 4.11Å; V54-F109 HydrophobicContact CB-CG 4.33Å; V54-F109 HydrophobicContact CG1-CB 4.04Å; V54-F109 HydrophobicContact CG1-CD1 4.12Å; V54-F109 HydrophobicContact CG1-CD2 3.96Å; V54-F109 HydrophobicContact CG1-CE2 4.42Å; V54-F109 HydrophobicContact CG1-CG 3.79Å; V54-F109 HydrophobicContact CG2-CB 3.96Å; V54-F109 HydrophobicContact CG2-CD1 3.99Å; V54-F109 HydrophobicContact CG2-CG 4.13Å; V54-K112 HydrophobicContact CG2-CB 4.2Å; V54-K112 HydrophobicContact CG2-CG 3.87Å; V54-I113 HydrophobicContact CB-CD1 4.01Å; V54-I113 HydrophobicContact CB-CG1 4.01Å; V54-I113 HydrophobicContact CG2-CG1 4.18Å; V54-V156 HydrophobicContact CG1-CB 4.46Å; V54-V156 HydrophobicContact CG1-CG1 3.58Å; V54-V156 HydrophobicContact CG1-CG2 3.95Å |
| 55 | A | 98.4 | Very high | 97.6 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 13% | 0.132 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.1 | -44.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L51 F58 M59 V156 | L51-A55 VanDerWaalsContact O-CB 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.47Å; L51-A55 PolarHBondContact O-N 3.49Å; A55-F58 PolarHBondContact O-N 3.29Å; A55-M59 WeakPolarHBondContact O-CG 3.34Å; A55-M59 PolarHBondContact O-N 2.74Å; A55-V156 HydrophobicContact CB-CG2 4.21Å |
| 56 | A | 97.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 41% | 0.405 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.1 | -33.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E52 K53 V54 N60 | E52-A56 PolarHBondContact O-N 2.63Å; K53-A56 PolarHBondContact O-N 3.39Å; V54-A56 VanDerWaalsContact C-N 3.28Å; V54-A56 PolarHBondContact O-N 3.04Å; A56-N60 PolarHBondContact O-N 2.86Å; A56-N60 PolarHBondContact O-ND2 2.77Å |
| 57 | V | 97.8 | Very high | 97.3 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -48.1 | 173.7 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | K53 V54 M59 N60 Q61 K112 | K53-V57 WeakPolarHBondContact O-CG2 3.29Å; K53-V57 PolarHBondContact O-N 2.76Å; K53-V57 VanDerWaalsContact O-N 3.08Å; V54-V57 WeakPolarHBondContact O-CA 3.22Å; V54-V57 WeakPolarHBondContact O-CB 3.29Å; V54-V57 PolarHBondContact O-N 3.1Å; V57-M59 PolarHBondContact O-N 3.46Å; V57-N60 PolarHBondContact O-N 3.08Å; V57-N60 VanDerWaalsContact O-N 3.12Å; V57-Q61 PolarHBondContact O-N 3.5Å; V57-K112 HydrophobicContact CG1-CD 4.47Å; V57-K112 HydrophobicContact CG1-CG 4.29Å |
| 58 | F | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 179.4 | -71.4 | -50.4 | 0 | 0 | 0 | 113.3 | V54 A55 N60 Q61 F109 K112 L121 V156 R159 M160 R192 | V54-F58 HydrophobicContact CB-CE2 4.47Å; V54-F58 HydrophobicContact CG1-CD2 4.48Å; V54-F58 HydrophobicContact CG1-CE2 4.23Å; V54-F58 HydrophobicContact CG2-CD2 3.98Å; V54-F58 HydrophobicContact CG2-CE2 3.58Å; V54-F58 HydrophobicContact CG2-CZ 4.01Å; V54-F58 WeakPolarHBondContact O-CD2 3.2Å; V54-F58 PolarHBondContact O-N 2.92Å; A55-F58 PolarHBondContact O-N 3.29Å; F58-N60 PolarHBondContact O-N 2.77Å; F58-Q61 PolarHBondContact O-N 2.85Å; F58-Q61 VanDerWaalsContact O-N 3.07Å; F58-F109 HydrophobicContact CE2-CD1 4.1Å; F58-F109 AromaticContact CE2-CE1 3.84Å; F58-F109 HydrophobicContact CE2-CE1 3.84Å; F58-F109 HydrophobicContact CZ-CD1 4.22Å; F58-F109 HydrophobicContact CZ-CE1 4.09Å; F58-K112 HydrophobicContact CD1-CG 4.49Å; F58-K112 HydrophobicContact CE1-CD 3.92Å; F58-K112 HydrophobicContact CE1-CG 3.82Å; F58-K112 HydrophobicContact CZ-CG 4.01Å; F58-L121 HydrophobicContact CE1-CB 4.01Å; F58-L121 HydrophobicContact CZ-CB 4.09Å; F58-L121 HydrophobicContact CZ-CD1 4.07Å; F58-V156 HydrophobicContact CD2-CG1 3.99Å; F58-V156 HydrophobicContact CE2-CG1 3.74Å; F58-R159 HydrophobicContact CB-CB 4.34Å; F58-R159 WeakPolarHBondContact CB-O 3.29Å; F58-M160 HydrophobicContact CD2-CG 3.96Å; F58-M160 HydrophobicContact CE1-CG 4.23Å; F58-M160 HydrophobicContact CE2-CG 3.64Å; F58-M160 HydrophobicContact CG-CG 4.4Å; F58-M160 HydrophobicContact CZ-CE 4.24Å; F58-M160 HydrophobicContact CZ-CG 3.78Å; F58-M160 HydrophobicContact CZ-SD 4.49Å; F58-R192 PolarHBondContact O-NH1 3.12Å |
| 59 | M | 97.8 | Very high | 96.4 | Very high | 81 Ų | 81 | 46.6 Ų | 46.6 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.1 | -23.8 | 174.8 | -72 | -59.6 | -58.3 | 0 | 0 | 113.5 | A55 V57 R159 R192 | A55-M59 WeakPolarHBondContact O-CG 3.34Å; A55-M59 PolarHBondContact O-N 2.74Å; V57-M59 PolarHBondContact O-N 3.46Å; M59-R159 HydrophobicContact CG-CB 4.23Å; M59-R159 HydrophobicContact CG-CG 4.11Å; M59-R159 HydrophobicContact SD-CB 3.95Å; M59-R159 HydrophobicContact SD-CG 3.71Å; M59-R192 HydrophobicContact SD-CB 4.06Å |
| 60 | N | 97 | Very high | 96 | Very high | 144 Ų | 144 | 45.9 Ų | 45.9 | 77% | 0.77 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.4 | 173.2 | -76.2 | -62.2 | 0 | 0 | 0 | 113.3 | A56 V57 F58 | A56-N60 PolarHBondContact O-N 2.86Å; A56-N60 PolarHBondContact O-ND2 2.77Å; V57-N60 PolarHBondContact O-N 3.08Å; V57-N60 VanDerWaalsContact O-N 3.12Å; F58-N60 PolarHBondContact O-N 2.77Å |
| 61 | Q | 96 | Very high | 95.1 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -96.1 | 149.5 | 170.9 | -68.3 | -171.7 | -100.8 | 0 | 0 | 110.8 | V57 F58 K112 F120 R192 | V57-Q61 PolarHBondContact O-N 3.5Å; F58-Q61 PolarHBondContact O-N 2.85Å; F58-Q61 VanDerWaalsContact O-N 3.07Å; Q61-K112 VanDerWaalsContact CD-NZ 3.27Å; Q61-F120 VanDerWaalsContact NE2-CD1 3.29Å; Q61-R192 PolarHBondContact O-NH1 3.25Å; Q61-R192 PolarHBondContact O-NH2 3.49Å |
| 62 | P | 97.2 | Very high | 94.3 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | trans | -66.8 | 157.3 | 170.9 | 31 | -36.9 | 0 | 0 | 0 | 111.6 | L64 P161 | P62-L64 VanDerWaalsContact C-N 3.34Å; P62-L64 WeakPolarHBondContact CB-O 3.29Å; P62-L64 WeakPolarHBondContact CG-O 3.2Å; P62-P161 WeakPolarHBondContact O-CB 3.45Å | ||
| 63 | M | 97.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -68.8 | -34 | 179.2 | -177.1 | 56.1 | 151.6 | 0 | 0 | 112.6 | P161 V162 I187 I190 R192 L202 | M63-P161 VanDerWaalsContact O-CB 3.29Å; M63-P161 WeakPolarHBondContact O-CB 3.12Å; M63-V162 HydrophobicContact CE-CB 4.18Å; M63-V162 HydrophobicContact CE-CG1 3.47Å; M63-V162 VanDerWaalsContact CE-CG1 3.47Å; M63-V162 HydrophobicContact CE-CG2 3.67Å; M63-V162 HydrophobicContact CG-CG2 4.16Å; M63-V162 PolarHBondContact O-N 3.4Å; M63-V162 HydrophobicContact SD-CB 4.38Å; M63-V162 HydrophobicContact SD-CG1 4Å; M63-V162 HydrophobicContact SD-CG2 3.86Å; M63-I187 WeakPolarHBondContact CB-O 3.43Å; M63-I187 HydrophobicContact CG-CG2 4.45Å; M63-I187 WeakPolarHBondContact CG-O 3.28Å; M63-I190 HydrophobicContact CE-CB 3.71Å; M63-I190 HydrophobicContact CE-CD1 4.21Å; M63-I190 HydrophobicContact CE-CG2 3.51Å; M63-I190 HydrophobicContact CG-CB 4.1Å; M63-R192 HydrophobicContact CE-CG 4.09Å; M63-R192 WeakPolarHBondContact SD-CD 3.45Å; M63-R192 HydrophobicContact SD-CG 4.05Å; M63-R192 PolarHBondContact SD-NE 3.36Å; M63-R192 VanDerWaalsContact SD-NE 3.45Å; M63-L202 HydrophobicContact CE-CD1 4.24Å |
| 64 | L | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.7 | 163.1 | 178.1 | 63.4 | 0 | 0 | 0 | 108.3 | P62 S163 L165 L171 F184 I187 R188 | P62-L64 VanDerWaalsContact C-N 3.34Å; P62-L64 WeakPolarHBondContact CB-O 3.29Å; P62-L64 WeakPolarHBondContact CG-O 3.2Å; L64-S163 WeakPolarHBondContact CA-O 3.45Å; L64-L165 HydrophobicContact CD1-CB 4.12Å; L64-L165 HydrophobicContact CD2-CB 4.43Å; L64-L165 HydrophobicContact CG-CB 4.35Å; L64-L171 HydrophobicContact CD1-CD1 3.6Å; L64-F184 HydrophobicContact CD2-CB 3.73Å; L64-F184 HydrophobicContact CD2-CG 4.22Å; L64-I187 HydrophobicContact CB-CB 4.36Å; L64-I187 HydrophobicContact CB-CG2 4.02Å; L64-R188 HydrophobicContact CB-CG 3.94Å; L64-R188 HydrophobicContact CD2-CG 4.25Å |
| 65 | V | 95.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.3 | -178.3 | 165.9 | 0 | 0 | 0 | 0 | 110.3 | V67 F120 P161 S163 A164 L165 | V65-V67 HydrophobicContact CG1-CG1 3.9Å; V65-F120 HydrophobicContact CG1-CB 4.26Å; V65-F120 HydrophobicContact CG1-CD1 3.28Å; V65-F120 HydrophobicContact CG1-CE1 3.73Å; V65-F120 HydrophobicContact CG1-CG 3.92Å; V65-P161 HydrophobicContact CG2-CB 3.77Å; V65-P161 HydrophobicContact CG2-CG 3.77Å; V65-S163 PolarHBondContact N-O 3.47Å; V65-A164 HydrophobicContact CB-CB 4.03Å; V65-A164 HydrophobicContact CG1-CB 4.24Å; V65-A164 CarbonylContact O-C 3.4Å; V65-A164 WeakPolarHBondContact O-CA 3.32Å; V65-A164 WeakPolarHBondContact O-CB 3.32Å; V65-L165 PolarHBondContact O-N 3.13Å |
| 66 | E | 95.1 | Very high | 89.5 | Confident | 107 Ų | 107 | 46.1 Ų | 46.1 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.1 | 179.4 | -63.2 | -179.4 | -132 | 0 | 0 | 110.4 | L165 R188 | E66-L165 HydrophobicContact CG-CB 4.35Å; E66-R188 VanDerWaalsContact CD-NH2 3.32Å; E66-R188 IonicContact OE1-CZ 3.69Å; E66-R188 VanDerWaalsContact OE1-CZ 3.29Å; E66-R188 IonicContact OE1-NE 3.29Å; E66-R188 PolarHBondContact OE1-NE 3.18Å; E66-R188 IonicContact OE1-NH2 3.98Å; E66-R188 PolarHBondContact OE1-NH2 3.3Å; E66-R188 IonicContact OE2-NH2 2.71Å |
| 67 | V | 91.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.2 | -174.7 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | V65 I71 F120 L165 V166 A167 I227 | V65-V67 HydrophobicContact CG1-CG1 3.9Å; V67-I71 HydrophobicContact CG2-CD1 4.19Å; V67-F120 HydrophobicContact CG1-CD1 4.29Å; V67-F120 HydrophobicContact CG1-CD2 3.97Å; V67-F120 HydrophobicContact CG1-CE1 3.91Å; V67-F120 HydrophobicContact CG1-CE2 3.54Å; V67-F120 HydrophobicContact CG1-CG 4.32Å; V67-F120 HydrophobicContact CG1-CZ 3.5Å; V67-F120 VanDerWaalsContact CG1-CZ 3.5Å; V67-L165 PolarHBondContact N-O 3.31Å; V67-V166 HydrophobicContact CG2-CB 4.45Å; V67-V166 HydrophobicContact CG2-CG2 4.01Å; V67-V166 CarbonylContact O-C 3.6Å; V67-V166 VanDerWaalsContact O-CA 3.29Å; V67-V166 WeakPolarHBondContact O-CA 3.39Å; V67-A167 PolarHBondContact O-N 3.08Å; V67-I227 HydrophobicContact CG2-CD1 4.47Å; V67-I227 HydrophobicContact CG2-CG2 4.44Å |
| 68 | D | 90.5 | Very high | 85.3 | Confident | 102 Ų | 102 | 44.8 Ų | 44.8 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | trans | -104.9 | 147.8 | 174.2 | -65.3 | -59.6 | 0 | 0 | 0 | 111.1 | ||||
| 69 | P | 87 | Confident | 82.7 | Confident | 81 Ų | 81 | 45 Ų | 45 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -68.5 | 159.8 | 173.9 | 29.5 | -36.4 | 0 | 0 | 0 | 112.3 | A167 | P69-A167 HydrophobicContact CG-CB 4.41Š|
| 70 | P | 89 | Confident | 80.3 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 53% | 0.532 | 25% | 0.252 | S | S | . | . | S | Bend | cis | -80 | 135.4 | 5.7 | 31.4 | -33.3 | 0 | 0 | 0 | 112.9 | N230 | P70-N230 HydrophobicContact CB-CB 4.48Å; P70-N230 HydrophobicContact CG-CB 4.38Å; P70-N230 WeakPolarHBondContact CG-O 3.37Å; P70-N230 PolarHBondContact O-N 3.23Å; P70-N230 VanDerWaalsContact O-N 3.1Å |
| 71 | I | 80.8 | Confident | 77.9 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.9 | 175.3 | 58 | 166.1 | 0 | 0 | 0 | 111.2 | V67 I73 V166 I227 C228 R229 | V67-I71 HydrophobicContact CG2-CD1 4.19Å; I71-I73 HydrophobicContact CD1-CD1 3.86Å; I71-I73 HydrophobicContact CD1-CG1 3.7Å; I71-I73 HydrophobicContact CG1-CG1 4.22Å; I71-V166 HydrophobicContact CD1-CB 4.07Å; I71-V166 HydrophobicContact CD1-CG1 3.41Å; I71-V166 VanDerWaalsContact CD1-CG1 3.41Å; I71-V166 HydrophobicContact CD1-CG2 3.47Å; I71-V166 VanDerWaalsContact CD1-CG2 3.47Å; I71-V166 HydrophobicContact CG1-CG1 4.1Å; I71-I227 HydrophobicContact CB-CG2 3.88Å; I71-I227 HydrophobicContact CD1-CG2 3.73Å; I71-I227 HydrophobicContact CG1-CG2 4.41Å; I71-I227 HydrophobicContact CG2-CG2 3.92Å; I71-C228 CarbonylContact C-O 3.47Å; I71-C228 WeakPolarHBondContact CA-O 3.4Å; I71-C228 WeakPolarHBondContact CB-O 3.47Å; I71-R229 HydrophobicContact CG2-CG 3.93Å |
| 72 | I | 80.1 | Confident | 75.5 | Confident | 80 Ų | 80 | 44 Ų | 44 | 41% | 0.41 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.4 | 160.8 | -61.3 | 172.7 | 0 | 0 | 0 | 107.2 | I227 C228 N230 | I72-I227 WeakPolarHBondContact O-CA 3.21Å; I72-C228 PolarHBondContact N-O 3.27Å; I72-C228 PolarHBondContact O-N 3.02Å; I72-N230 VanDerWaalsContact CD1-OD1 3.28Å; I72-N230 WeakPolarHBondContact CD1-OD1 3.28Å |
| 73 | I | 79.8 | Confident | 73.2 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.8 | 173.5 | -44.7 | 177.8 | 0 | 0 | 0 | 108.6 | I71 V166 F224 I227 | I71-I73 HydrophobicContact CD1-CD1 3.86Å; I71-I73 HydrophobicContact CD1-CG1 3.7Å; I71-I73 HydrophobicContact CG1-CG1 4.22Å; I73-V166 HydrophobicContact CD1-CG2 4.16Å; I73-F224 HydrophobicContact CB-CD1 4.33Å; I73-F224 HydrophobicContact CB-CE1 4.28Å; I73-F224 HydrophobicContact CG2-CB 4.35Å; I73-F224 HydrophobicContact CG2-CD1 3.18Å; I73-F224 HydrophobicContact CG2-CE1 3.53Å; I73-F224 HydrophobicContact CG2-CG 4.03Å; I73-I227 HydrophobicContact CG1-CG1 4.35Å; I73-I227 HydrophobicContact CG2-CG1 3.95Å |
| 74 | C | 77.8 | Confident | 70.9 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 149.5 | -178.2 | -68.8 | 0 | 0 | 0 | 0 | 111.3 | G92 F224 K225 A226 | C74-G92 PolarHBondContact SG-N 2.84Å; C74-G92 VanDerWaalsContact SG-N 3.39Å; C74-F224 WeakPolarHBondContact O-CA 3.45Å; C74-K225 PolarHBondContact O-N 3.09Å; C74-A226 HydrophobicContact CB-CB 4.12Å; C74-A226 PolarHBondContact N-O 3.1Å; C74-A226 PolarHBondContact O-N 3.28Å |
| 75 | G | 72.2 | Confident | 68.7 | Low | 7 Ų | 7 | 45.4 Ų | 45.4 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | -81.7 | -127.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D93 N223 K225 | G75-D93 VanDerWaalsContact C-CB 3.46Å; G75-D93 WeakPolarHBondContact CA-OD2 3.08Å; G75-D93 PolarHBondContact N-OD2 3.08Å; G75-D93 CarbonylContact O-C 3.39Å; G75-D93 WeakPolarHBondContact O-CA 3.35Å; G75-N223 CarbonylContact C-O 3.56Å; G75-N223 VanDerWaalsContact CA-O 3.22Å; G75-N223 WeakPolarHBondContact CA-O 3.46Å; G75-K225 WeakPolarHBondContact O-CB 3.41Å; G75-K225 PolarHBondContact O-N 2.99Å | ||
| 76 | D | 62.1 | Low | 66.4 | Low | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | trans | -141.9 | 108.6 | -154.6 | -164.1 | 31.1 | 0 | 0 | 0 | 115.6 | H78 D93 H174 N223 K225 | D76-H78 PolarHBondContact O-CD2 2.99Å; D76-H78 VanDerWaalsContact O-CD2 3.29Å; D76-H78 IonicContact OD2-CE1 3.23Å; D76-H78 PolarHBondContact OD2-CE1 3.35Å; D76-H78 IonicContact OD2-NE2 2.74Å; D76-D93 VanDerWaalsContact C-CB 3.41Å; D76-D93 PolarHBondContact N-OD1 2.85Å; D76-D93 PolarHBondContact N-OD2 3.2Å; D76-D93 VanDerWaalsContact N-OD2 3.12Å; D76-H174 IonicContact OD1-CE1 2.75Å; D76-H174 IonicContact OD2-CE1 2.77Å; D76-H174 PolarHBondContact OD2-CE1 2.84Å; D76-H174 VanDerWaalsContact OD2-CE1 3.23Å; D76-N223 HydrophobicContact CB-CB 3.51Å; D76-N223 PolarHBondContact OD2-ND2 2.86Å; D76-K225 WeakPolarHBondContact OD1-CD 3.46Å; D76-K225 IonicContact OD1-NZ 3.62Å; D76-K225 PolarHBondContact OD1-NZ 3.49Å | ||
| 77 | I | 54.9 | Low | 64.1 | Low | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -87 | -36.4 | -141.3 | -74.8 | 152.8 | 0 | 0 | 0 | 106.2 | Q80 L84 D93 Y94 T104 M108 | I77-Q80 HydrophobicContact CG2-CB 3.54Å; I77-Q80 HydrophobicContact CG2-CG 4.28Å; I77-Q80 VanDerWaalsContact CG2-N 3.27Å; I77-Q80 PolarHBondContact O-OE1 3.47Å; I77-L84 HydrophobicContact CD1-CB 3.98Å; I77-L84 HydrophobicContact CD1-CD1 4.13Å; I77-L84 HydrophobicContact CD1-CD2 3.86Å; I77-L84 HydrophobicContact CD1-CG 4.2Å; I77-D93 HydrophobicContact CB-CB 3.63Å; I77-D93 VanDerWaalsContact CG1-CA 3.47Å; I77-D93 HydrophobicContact CG1-CB 3.29Å; I77-Y94 VanDerWaalsContact CA-N 3.28Å; I77-Y94 WeakPolarHBondContact CB-O 3.2Å; I77-T104 HydrophobicContact CD1-CG2 3.62Å; I77-M108 HydrophobicContact CD1-CE 4.5Å | ||
| 78 | H | 52.8 | Low | 62 | Low | 33 Ų | 33 | 55.3 Ų | 55.3 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 41.1 | -168.6 | -48.9 | -57.3 | 0 | 0 | 0 | 114.6 | D76 Q80 V95 R97 G98 | D76-H78 PolarHBondContact O-CD2 2.99Å; D76-H78 VanDerWaalsContact O-CD2 3.29Å; D76-H78 IonicContact OD2-CE1 3.23Å; D76-H78 PolarHBondContact OD2-CE1 3.35Å; D76-H78 IonicContact OD2-NE2 2.74Å; H78-Q80 VanDerWaalsContact C-N 3.28Å; H78-Q80 PolarHBondContact O-N 2.8Å; H78-V95 VanDerWaalsContact CA-C 3.43Å; H78-V95 VanDerWaalsContact CA-O 3.29Å; H78-V95 WeakPolarHBondContact CA-O 3.41Å; H78-V95 PolarHBondContact ND1-O 2.92Å; H78-R97 HydrophobicContact CB-CB 3.8Å; H78-R97 HydrophobicContact CB-CG 3.89Å; H78-R97 PolarHBondContact CD2-NH1 3.36Å; H78-R97 CarbonylContact O-C 3.57Å; H78-R97 WeakPolarHBondContact O-CA 3.3Å; H78-R97 WeakPolarHBondContact O-CB 3.08Å; H78-R97 PolarHBondContact O-N 3Å; H78-G98 PolarHBondContact O-N 2.8Å |
| 79 | G | 44.3 | Very low | 59.4 | Low | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 12.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | F81 Y94 | G79-F81 PolarHBondContact O-N 3.08Å; G79-Y94 PolarHBondContact N-O 2.76Å |
| 80 | Q | 47.3 | Very low | 56.6 | Low | 101 Ų | 101 | 61.5 Ų | 61.5 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | trans | -68.3 | 64 | 169.3 | -57.3 | 175.2 | -132.7 | 0 | 0 | 112.4 | I77 H78 K82 D83 L84 | I77-Q80 HydrophobicContact CG2-CB 3.54Å; I77-Q80 HydrophobicContact CG2-CG 4.28Å; I77-Q80 VanDerWaalsContact CG2-N 3.27Å; I77-Q80 PolarHBondContact O-OE1 3.47Å; H78-Q80 VanDerWaalsContact C-N 3.28Å; H78-Q80 PolarHBondContact O-N 2.8Å; Q80-K82 PolarHBondContact O-N 3.43Å; Q80-K82 VanDerWaalsContact O-N 3.08Å; Q80-D83 HydrophobicContact CB-CB 4.13Å; Q80-D83 PolarHBondContact NE2-OD2 3.19Å; Q80-D83 WeakPolarHBondContact O-CA 3.36Å; Q80-D83 PolarHBondContact O-N 2.92Å; Q80-L84 PolarHBondContact O-N 2.83Å | ||
| 81 | F | 47 | Very low | 53.8 | Low | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.7 | -34.4 | 177.6 | -172.1 | -108.7 | 0 | 0 | 0 | 114 | L36 R39 G79 D83 L84 I85 Q100 E103 L107 | L36-F81 HydrophobicContact CB-CZ 4.3Å; L36-F81 VanDerWaalsContact O-CZ 3.3Å; L36-F81 WeakPolarHBondContact O-CZ 3.08Å; R39-F81 HydrophobicContact CG-CE1 4.36Å; G79-F81 PolarHBondContact O-N 3.08Å; F81-D83 VanDerWaalsContact C-N 3.29Å; F81-D83 PolarHBondContact O-N 2.93Å; F81-L84 PolarHBondContact O-N 2.81Å; F81-I85 HydrophobicContact CD1-CD1 3.98Å; F81-I85 HydrophobicContact CE1-CD1 3.41Å; F81-I85 VanDerWaalsContact CE1-CD1 3.41Å; F81-I85 HydrophobicContact CE1-CG1 4.22Å; F81-I85 HydrophobicContact CZ-CD1 3.86Å; F81-I85 HydrophobicContact CZ-CG1 4.34Å; F81-I85 PolarHBondContact O-N 2.94Å; F81-Q100 HydrophobicContact CB-CB 4.08Å; F81-E103 HydrophobicContact CD2-CB 4.22Å; F81-E103 HydrophobicContact CE2-CB 4.05Å; F81-E103 HydrophobicContact CZ-CB 4.41Å; F81-L107 HydrophobicContact CD2-CD2 4.43Å; F81-L107 HydrophobicContact CE2-CB 4.16Å; F81-L107 HydrophobicContact CE2-CD2 3.6Å; F81-L107 HydrophobicContact CZ-CD2 4.18Å |
| 82 | K | 45 | Very low | 51.5 | Low | 123 Ų | 123 | 58.7 Ų | 58.7 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 175.3 | -67.5 | 176.2 | -175.2 | 168.5 | 0 | 112.4 | Q80 R86 | Q80-K82 PolarHBondContact O-N 3.43Å; Q80-K82 VanDerWaalsContact O-N 3.08Å; K82-R86 WeakPolarHBondContact O-CD 3.38Å; K82-R86 VanDerWaalsContact O-CG 3.3Å; K82-R86 WeakPolarHBondContact O-CG 3.09Å; K82-R86 PolarHBondContact O-N 2.9Å |
| 83 | D | 49.5 | Very low | 49.5 | Very low | 54 Ų | 54 | 57.1 Ų | 57.1 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -81.5 | -33.6 | 178 | -58.6 | -45.3 | 0 | 0 | 0 | 109.8 | Q80 F81 I85 R86 L87 | Q80-D83 HydrophobicContact CB-CB 4.13Å; Q80-D83 PolarHBondContact NE2-OD2 3.19Å; Q80-D83 WeakPolarHBondContact O-CA 3.36Å; Q80-D83 PolarHBondContact O-N 2.92Å; F81-D83 VanDerWaalsContact C-N 3.29Å; F81-D83 PolarHBondContact O-N 2.93Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact O-N 2.79Å; D83-R86 CarbonylContact O-C 3.13Å; D83-R86 WeakPolarHBondContact O-CA 3.45Å; D83-R86 WeakPolarHBondContact O-CB 3.4Å; D83-R86 PolarHBondContact O-N 3.18Å; D83-R86 WeakPolarHBondContact OD1-CD 3.2Å; D83-R86 IonicContact OD1-CZ 3.95Å; D83-R86 IonicContact OD1-NH1 3.44Å; D83-R86 PolarHBondContact OD1-NH1 3.18Å; D83-L87 VanDerWaalsContact O-CB 3.25Å; D83-L87 WeakPolarHBondContact O-CB 2.9Å; D83-L87 PolarHBondContact O-N 3.24Å |
| 84 | L | 49.3 | Very low | 47.9 | Very low | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -38.8 | 167.7 | -175.5 | 54.7 | 0 | 0 | 0 | 113.8 | I77 Q80 F81 L87 T104 L107 M108 | I77-L84 HydrophobicContact CD1-CB 3.98Å; I77-L84 HydrophobicContact CD1-CD1 4.13Å; I77-L84 HydrophobicContact CD1-CD2 3.86Å; I77-L84 HydrophobicContact CD1-CG 4.2Å; Q80-L84 PolarHBondContact O-N 2.83Å; F81-L84 PolarHBondContact O-N 2.81Å; L84-L87 HydrophobicContact CD1-CB 4.21Å; L84-L87 HydrophobicContact CD1-CD1 4.15Å; L84-L87 HydrophobicContact CD1-CD2 4.32Å; L84-L87 HydrophobicContact CD1-CG 4.47Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.98Å; L84-T104 HydrophobicContact CD2-CG2 4.04Å; L84-L107 HydrophobicContact CD2-CB 4.38Å; L84-L107 HydrophobicContact CD2-CD2 3.74Å; L84-L107 HydrophobicContact CD2-CG 4.15Å; L84-L107 HydrophobicContact CG-CD2 4.03Å; L84-M108 HydrophobicContact CD1-SD 3.79Å; L84-M108 HydrophobicContact CD2-CG 3.87Å; L84-M108 HydrophobicContact CD2-SD 3.78Å; L84-M108 HydrophobicContact CG-SD 4.47Å |
| 85 | I | 50.8 | Low | 45.9 | Very low | 48 Ų | 48 | 53.9 Ų | 53.9 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 172.8 | -70.7 | 177.2 | 0 | 0 | 0 | 111.4 | L37 F81 D83 L87 | L37-I85 HydrophobicContact CD2-CG1 4.18Å; F81-I85 HydrophobicContact CD1-CD1 3.98Å; F81-I85 HydrophobicContact CE1-CD1 3.41Å; F81-I85 VanDerWaalsContact CE1-CD1 3.41Å; F81-I85 HydrophobicContact CE1-CG1 4.22Å; F81-I85 HydrophobicContact CZ-CD1 3.86Å; F81-I85 HydrophobicContact CZ-CG1 4.34Å; F81-I85 PolarHBondContact O-N 2.94Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact O-N 2.79Å; I85-L87 PolarHBondContact O-N 3.25Å |
| 86 | R | 46.6 | Very low | 44.6 | Very low | 168 Ų | 168 | 54.1 Ų | 54.1 | 63% | 0.634 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.5 | -20.8 | 173.5 | -69.6 | 162.4 | 167.7 | 173.9 | -8.7 | 112.8 | K82 D83 F88 N89 | K82-R86 WeakPolarHBondContact O-CD 3.38Å; K82-R86 VanDerWaalsContact O-CG 3.3Å; K82-R86 WeakPolarHBondContact O-CG 3.09Å; K82-R86 PolarHBondContact O-N 2.9Å; D83-R86 CarbonylContact O-C 3.13Å; D83-R86 WeakPolarHBondContact O-CA 3.45Å; D83-R86 WeakPolarHBondContact O-CB 3.4Å; D83-R86 PolarHBondContact O-N 3.18Å; D83-R86 WeakPolarHBondContact OD1-CD 3.2Å; D83-R86 IonicContact OD1-CZ 3.95Å; D83-R86 IonicContact OD1-NH1 3.44Å; D83-R86 PolarHBondContact OD1-NH1 3.18Å; R86-F88 VanDerWaalsContact C-N 3.32Å; R86-F88 PolarHBondContact O-N 2.81Å; R86-N89 CarbonylContact O-C 3.54Å; R86-N89 VanDerWaalsContact O-C 3.26Å; R86-N89 VanDerWaalsContact O-CA 3.24Å; R86-N89 WeakPolarHBondContact O-CA 3.41Å; R86-N89 WeakPolarHBondContact O-CB 3.18Å; R86-N89 PolarHBondContact O-N 2.77Å |
| 87 | L | 48.3 | Very low | 43.7 | Very low | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71 | -21.4 | -173.8 | -139 | 130.6 | 0 | 0 | 0 | 114.9 | D83 L84 I85 N89 H90 G91 G92 | D83-L87 VanDerWaalsContact O-CB 3.25Å; D83-L87 WeakPolarHBondContact O-CB 2.9Å; D83-L87 PolarHBondContact O-N 3.24Å; L84-L87 HydrophobicContact CD1-CB 4.21Å; L84-L87 HydrophobicContact CD1-CD1 4.15Å; L84-L87 HydrophobicContact CD1-CD2 4.32Å; L84-L87 HydrophobicContact CD1-CG 4.47Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.98Å; I85-L87 PolarHBondContact O-N 3.25Å; L87-N89 CarbonylContact O-C 3.4Å; L87-N89 PolarHBondContact O-N 3.29Å; L87-H90 CarbonylContact O-C 3.57Å; L87-H90 PolarHBondContact O-N 3.01Å; L87-G91 VanDerWaalsContact CD1-C 3.43Å; L87-G91 VanDerWaalsContact CD1-O 3.3Å; L87-G91 WeakPolarHBondContact CD1-O 3.05Å; L87-G92 VanDerWaalsContact CD1-C 3.48Å; L87-G92 WeakPolarHBondContact CD1-O 3.38Å; L87-G92 VanDerWaalsContact CD2-N 3.31Å; L87-G92 WeakPolarHBondContact CD2-O 3.5Å; L87-G92 WeakPolarHBondContact CG-O 2.94Å |
| 88 | F | 47.2 | Very low | 43.3 | Very low | 119 Ų | 119 | 63.2 Ų | 63.2 | 52% | 0.522 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -7.4 | 159.7 | -68.5 | -78.5 | 0 | 0 | 0 | 111.9 | L37 R86 L111 | L37-F88 HydrophobicContact CD2-CD2 4.49Å; L37-F88 HydrophobicContact CD2-CE2 3.86Å; R86-F88 VanDerWaalsContact C-N 3.32Å; R86-F88 PolarHBondContact O-N 2.81Å; F88-L111 HydrophobicContact CZ-CD1 4.11Å; F88-L111 HydrophobicContact CZ-CD2 4.14Å |
| 89 | N | 34.8 | Very low | 43.7 | Very low | 136 Ų | 136 | 65.8 Ų | 65.8 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 59 | 156.7 | -64.2 | -62.4 | 0 | 0 | 0 | 112.1 | R86 L87 | R86-N89 CarbonylContact O-C 3.54Å; R86-N89 VanDerWaalsContact O-C 3.26Å; R86-N89 VanDerWaalsContact O-CA 3.24Å; R86-N89 WeakPolarHBondContact O-CA 3.41Å; R86-N89 WeakPolarHBondContact O-CB 3.18Å; R86-N89 PolarHBondContact O-N 2.77Å; L87-N89 CarbonylContact O-C 3.4Å; L87-N89 PolarHBondContact O-N 3.29Å |
| 90 | H | 28.9 | Very low | 45.3 | Very low | 176 Ų | 176 | 67.9 Ų | 67.9 | 82% | 0.815 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 100 | 117.9 | 168 | -51.2 | 85.8 | 0 | 0 | 0 | 119.1 | L87 | L87-H90 CarbonylContact O-C 3.57Å; L87-H90 PolarHBondContact O-N 3.01Å |
| 91 | G | 30.5 | Very low | 47.1 | Very low | 55 Ų | 55 | 63.2 Ų | 63.2 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | trans | 84.3 | 94.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | L87 | L87-G91 VanDerWaalsContact CD1-C 3.43Å; L87-G91 VanDerWaalsContact CD1-O 3.3Å; L87-G91 WeakPolarHBondContact CD1-O 3.05Å | ||
| 92 | G | 32.3 | Very low | 49.1 | Very low | 3 Ų | 3 | 63.1 Ų | 63.1 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | trans | 132.5 | 159.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | C74 L87 | C74-G92 PolarHBondContact SG-N 2.84Å; C74-G92 VanDerWaalsContact SG-N 3.39Å; L87-G92 VanDerWaalsContact CD1-C 3.48Å; L87-G92 WeakPolarHBondContact CD1-O 3.38Å; L87-G92 VanDerWaalsContact CD2-N 3.31Å; L87-G92 WeakPolarHBondContact CD2-O 3.5Å; L87-G92 WeakPolarHBondContact CG-O 2.94Å | ||
| 93 | D | 38.6 | Very low | 51.2 | Low | 46 Ų | 46 | 59 Ų | 59 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | cis | 168.9 | -114.2 | 3.4 | -91.3 | 177.9 | 0 | 0 | 0 | 107.2 | G75 D76 I77 M108 | G75-D93 VanDerWaalsContact C-CB 3.46Å; G75-D93 WeakPolarHBondContact CA-OD2 3.08Å; G75-D93 PolarHBondContact N-OD2 3.08Å; G75-D93 CarbonylContact O-C 3.39Å; G75-D93 WeakPolarHBondContact O-CA 3.35Å; D76-D93 VanDerWaalsContact C-CB 3.41Å; D76-D93 PolarHBondContact N-OD1 2.85Å; D76-D93 PolarHBondContact N-OD2 3.2Å; D76-D93 VanDerWaalsContact N-OD2 3.12Å; I77-D93 HydrophobicContact CB-CB 3.63Å; I77-D93 VanDerWaalsContact CG1-CA 3.47Å; I77-D93 HydrophobicContact CG1-CB 3.29Å; D93-M108 VanDerWaalsContact O-CE 3.26Å; D93-M108 WeakPolarHBondContact O-CE 3.41Å | ||
| 94 | Y | 46.1 | Very low | 52.9 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -166.9 | -101.2 | 167.2 | -125 | -101.6 | 0 | 0 | 0 | 127.2 | I77 G79 T104 A105 M108 F109 L121 E127 K225 | I77-Y94 VanDerWaalsContact CA-N 3.28Å; I77-Y94 WeakPolarHBondContact CB-O 3.2Å; G79-Y94 PolarHBondContact N-O 2.76Å; Y94-T104 VanDerWaalsContact O-CG2 3.28Å; Y94-T104 WeakPolarHBondContact O-CG2 3.28Å; Y94-A105 HydrophobicContact CE1-CB 4.38Å; Y94-M108 HydrophobicContact CD2-CB 4.29Å; Y94-M108 HydrophobicContact CD2-CE 3.79Å; Y94-M108 HydrophobicContact CD2-CG 4.14Å; Y94-M108 HydrophobicContact CE2-CB 3.41Å; Y94-M108 VanDerWaalsContact CE2-CB 3.41Å; Y94-M108 HydrophobicContact CE2-CE 4.02Å; Y94-M108 HydrophobicContact CE2-CG 3.74Å; Y94-F109 WeakPolarHBondContact OH-CD1 3.33Å; Y94-F109 WeakPolarHBondContact OH-CE1 2.91Å; Y94-L121 HydrophobicContact CD2-CD2 4.21Å; Y94-L121 HydrophobicContact CE2-CD1 3.87Å; Y94-L121 HydrophobicContact CE2-CD2 3.69Å; Y94-L121 HydrophobicContact CE2-CG 4.32Å; Y94-E127 HydrophobicContact CD1-CG 4.48Å; Y94-E127 VanDerWaalsContact CD1-OE1 3.25Å; Y94-E127 WeakPolarHBondContact CD1-OE1 3.25Å; Y94-K225 HydrophobicContact CD2-CG 3.92Å; Y94-K225 HydrophobicContact CG-CD 4.07Å; Y94-K225 HydrophobicContact CG-CG 3.9Å | ||
| 95 | V | 36.5 | Very low | 54.9 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | trans | -136.2 | 157.5 | -154.4 | 157.6 | 0 | 0 | 0 | 0 | 118.9 | H78 A105 | H78-V95 VanDerWaalsContact CA-C 3.43Å; H78-V95 VanDerWaalsContact CA-O 3.29Å; H78-V95 WeakPolarHBondContact CA-O 3.41Å; H78-V95 PolarHBondContact ND1-O 2.92Å; V95-A105 HydrophobicContact CG2-CB 4.42Å | ||
| 96 | D | 43.9 | Very low | 56.9 | Low | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 98.2 | 20.2 | 166.3 | -81 | -6.3 | 0 | 0 | 0 | 123.5 | H126 Y135 | D96-H126 WeakPolarHBondContact CB-ND1 3.44Å; D96-H126 IonicContact OD2-CE1 3.55Å; D96-H126 IonicContact OD2-CG 3.01Å; D96-H126 IonicContact OD2-ND1 2.71Å; D96-H126 PolarHBondContact OD2-ND1 2.91Å; D96-Y135 WeakPolarHBondContact OD2-CB 3.42Å |
| 97 | R | 42.4 | Very low | 59 | Low | 189 Ų | 189 | 46 Ų | 46 | 71% | 0.713 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -139.6 | 3.3 | 167.5 | -65 | -174 | 175.6 | 120.3 | 4.8 | 116.8 | H78 | H78-R97 HydrophobicContact CB-CB 3.8Å; H78-R97 HydrophobicContact CB-CG 3.89Å; H78-R97 PolarHBondContact CD2-NH1 3.36Å; H78-R97 CarbonylContact O-C 3.57Å; H78-R97 WeakPolarHBondContact O-CA 3.3Å; H78-R97 WeakPolarHBondContact O-CB 3.08Å; H78-R97 PolarHBondContact O-N 3Å |
| 98 | G | 48.4 | Very low | 61 | Low | 22 Ų | 22 | 44.6 Ų | 44.6 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -113.3 | 151.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H78 Q100 S101 | H78-G98 PolarHBondContact O-N 2.8Å; G98-Q100 PolarHBondContact O-N 3.03Å; G98-S101 PolarHBondContact O-OG 3.36Å; G98-S101 VanDerWaalsContact O-OG 3.05Å |
| 99 | A | 60.4 | Low | 63.3 | Low | 87 Ų | 87 | 38.9 Ų | 38.9 | 72% | 0.719 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 23.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 100 | Q | 76.6 | Confident | 66.2 | Low | 47 Ų | 47 | 32.4 Ų | 32.4 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | 36.9 | -172.5 | -58.3 | -160.7 | -95.2 | 0 | 0 | 111 | F81 G98 I102 E103 T104 | F81-Q100 HydrophobicContact CB-CB 4.08Å; G98-Q100 PolarHBondContact O-N 3.03Å; Q100-I102 VanDerWaalsContact C-N 3.31Å; Q100-E103 VanDerWaalsContact CA-OE2 3.28Å; Q100-E103 WeakPolarHBondContact CA-OE2 3.4Å; Q100-E103 PolarHBondContact NE2-OE1 2.9Å; Q100-T104 WeakPolarHBondContact O-CB 3.27Å; Q100-T104 PolarHBondContact O-N 3.36Å; Q100-T104 PolarHBondContact O-OG1 2.8Å |
| 101 | S | 85.7 | Confident | 69.2 | Low | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.8 | -35.1 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | G98 T104 A105 E140 | G98-S101 PolarHBondContact O-OG 3.36Å; G98-S101 VanDerWaalsContact O-OG 3.05Å; S101-T104 PolarHBondContact O-N 3.02Å; S101-A105 WeakPolarHBondContact O-CB 3.5Å; S101-A105 PolarHBondContact O-N 3.34Å; S101-E140 WeakPolarHBondContact CB-OE2 3.49Å; S101-E140 PolarHBondContact N-OE1 2.77Å; S101-E140 PolarHBondContact N-OE2 3.21Å; S101-E140 PolarHBondContact OG-OE2 3.05Å |
| 102 | I | 89.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.6 | -51.8 | 175.7 | -62.7 | 168.3 | 0 | 0 | 0 | 110.4 | I47 Q100 T104 A105 C106 F137 E140 C144 Y145 F153 | I47-I102 HydrophobicContact CD1-CG2 3.98Å; Q100-I102 VanDerWaalsContact C-N 3.31Å; I102-T104 VanDerWaalsContact C-N 3.29Å; I102-T104 PolarHBondContact O-N 3.13Å; I102-A105 PolarHBondContact O-N 3.34Å; I102-C106 WeakPolarHBondContact O-CB 3.06Å; I102-C106 PolarHBondContact O-N 3.46Å; I102-C106 PolarHBondContact O-SG 3.07Å; I102-F137 HydrophobicContact CG1-CE2 3.96Å; I102-F137 HydrophobicContact CG1-CZ 4.47Å; I102-E140 HydrophobicContact CD1-CB 4.45Å; I102-E140 HydrophobicContact CD1-CG 3.97Å; I102-E140 HydrophobicContact CG1-CG 4.27Å; I102-E140 WeakPolarHBondContact CG1-OE1 3.46Å; I102-E140 PolarHBondContact N-OE1 3.4Å; I102-C144 HydrophobicContact CD1-CB 4.09Å; I102-Y145 HydrophobicContact CD1-CD2 3.93Å; I102-Y145 HydrophobicContact CD1-CE2 3.82Å; I102-Y145 HydrophobicContact CG2-CE2 4.07Å; I102-F153 HydrophobicContact CG2-CE2 4.26Å; I102-F153 HydrophobicContact CG2-CZ 4.15Å |
| 103 | E | 88.4 | Confident | 75.2 | Confident | 37 Ų | 37 | 22.7 Ų | 22.7 | 17% | 0.173 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 178.2 | -61.3 | 99 | 116.3 | 0 | 0 | 111.9 | L36 F81 Q100 C106 L107 | L36-E103 HydrophobicContact CD2-CB 3.98Å; L36-E103 HydrophobicContact CD2-CG 4Å; F81-E103 HydrophobicContact CD2-CB 4.22Å; F81-E103 HydrophobicContact CE2-CB 4.05Å; F81-E103 HydrophobicContact CZ-CB 4.41Å; Q100-E103 VanDerWaalsContact CA-OE2 3.28Å; Q100-E103 WeakPolarHBondContact CA-OE2 3.4Å; Q100-E103 PolarHBondContact NE2-OE1 2.9Å; E103-C106 PolarHBondContact O-N 3.02Å; E103-L107 WeakPolarHBondContact O-CB 3.28Å; E103-L107 PolarHBondContact O-N 2.69Å |
| 104 | T | 85.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -49.4 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | I77 L84 Y94 Q100 S101 I102 C106 L107 M108 | I77-T104 HydrophobicContact CD1-CG2 3.62Å; L84-T104 HydrophobicContact CD2-CG2 4.04Å; Y94-T104 VanDerWaalsContact O-CG2 3.28Å; Y94-T104 WeakPolarHBondContact O-CG2 3.28Å; Q100-T104 WeakPolarHBondContact O-CB 3.27Å; Q100-T104 PolarHBondContact O-N 3.36Å; Q100-T104 PolarHBondContact O-OG1 2.8Å; S101-T104 PolarHBondContact O-N 3.02Å; I102-T104 VanDerWaalsContact C-N 3.29Å; I102-T104 PolarHBondContact O-N 3.13Å; T104-C106 PolarHBondContact O-N 3.23Å; T104-L107 PolarHBondContact O-N 3.02Å; T104-M108 VanDerWaalsContact O-CG 3.28Å; T104-M108 WeakPolarHBondContact O-CG 3.46Å; T104-M108 PolarHBondContact O-N 3.01Å; T104-M108 VanDerWaalsContact O-N 3.11Å |
| 105 | A | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y94 V95 S101 I102 M108 F109 F153 | Y94-A105 HydrophobicContact CE1-CB 4.38Å; V95-A105 HydrophobicContact CG2-CB 4.42Å; S101-A105 WeakPolarHBondContact O-CB 3.5Å; S101-A105 PolarHBondContact O-N 3.34Å; I102-A105 PolarHBondContact O-N 3.34Å; A105-M108 PolarHBondContact O-N 3.31Å; A105-F109 HydrophobicContact CB-CE2 4.39Å; A105-F109 WeakPolarHBondContact O-CB 3.2Å; A105-F109 VanDerWaalsContact O-CD2 3.32Å; A105-F109 WeakPolarHBondContact O-CD2 3.36Å; A105-F109 WeakPolarHBondContact O-CG 3.41Å; A105-F109 PolarHBondContact O-N 3.12Å; A105-F153 HydrophobicContact CB-CE1 3.73Å; A105-F153 HydrophobicContact CB-CZ 4.44Å |
| 106 | C | 93.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.4 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | L36 L42 I102 E103 T104 M108 F109 L110 | L36-C106 HydrophobicContact CD1-CB 3.76Å; L42-C106 HydrophobicContact CD1-CB 4.45Å; I102-C106 WeakPolarHBondContact O-CB 3.06Å; I102-C106 PolarHBondContact O-N 3.46Å; I102-C106 PolarHBondContact O-SG 3.07Å; E103-C106 PolarHBondContact O-N 3.02Å; T104-C106 PolarHBondContact O-N 3.23Å; C106-M108 PolarHBondContact O-N 3.1Å; C106-F109 PolarHBondContact O-N 2.99Å; C106-L110 WeakPolarHBondContact O-CB 3.05Å; C106-L110 WeakPolarHBondContact O-CD1 3.49Å; C106-L110 VanDerWaalsContact O-CG 3.25Å; C106-L110 WeakPolarHBondContact O-CG 3.42Å; C106-L110 PolarHBondContact O-N 3.39Å |
| 107 | L | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 178.4 | 179.1 | 55.5 | 0 | 0 | 0 | 111 | T33 L36 L37 F81 L84 E103 T104 L110 L111 | T33-L107 HydrophobicContact CG2-CD1 3.96Å; L36-L107 HydrophobicContact CB-CD1 4.45Å; L36-L107 HydrophobicContact CD1-CB 3.81Å; L37-L107 HydrophobicContact CD2-CD1 4.32Å; L37-L107 HydrophobicContact CD2-CD2 4.09Å; L37-L107 HydrophobicContact CG-CD1 4.44Å; F81-L107 HydrophobicContact CD2-CD2 4.43Å; F81-L107 HydrophobicContact CE2-CB 4.16Å; F81-L107 HydrophobicContact CE2-CD2 3.6Å; F81-L107 HydrophobicContact CZ-CD2 4.18Å; L84-L107 HydrophobicContact CD2-CB 4.38Å; L84-L107 HydrophobicContact CD2-CD2 3.74Å; L84-L107 HydrophobicContact CD2-CG 4.15Å; L84-L107 HydrophobicContact CG-CD2 4.03Å; E103-L107 WeakPolarHBondContact O-CB 3.28Å; E103-L107 PolarHBondContact O-N 2.69Å; T104-L107 PolarHBondContact O-N 3.02Å; L107-L110 WeakPolarHBondContact O-CB 3.25Å; L107-L110 PolarHBondContact O-N 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.28Å |
| 108 | M | 89.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 178.3 | -65.3 | -68.1 | -95.7 | 0 | 0 | 112.3 | I77 L84 D93 Y94 T104 A105 C106 L111 K112 F119 L121 A226 | I77-M108 HydrophobicContact CD1-CE 4.5Å; L84-M108 HydrophobicContact CD1-SD 3.79Å; L84-M108 HydrophobicContact CD2-CG 3.87Å; L84-M108 HydrophobicContact CD2-SD 3.78Å; L84-M108 HydrophobicContact CG-SD 4.47Å; D93-M108 VanDerWaalsContact O-CE 3.26Å; D93-M108 WeakPolarHBondContact O-CE 3.41Å; Y94-M108 HydrophobicContact CD2-CB 4.29Å; Y94-M108 HydrophobicContact CD2-CE 3.79Å; Y94-M108 HydrophobicContact CD2-CG 4.14Å; Y94-M108 HydrophobicContact CE2-CB 3.41Å; Y94-M108 VanDerWaalsContact CE2-CB 3.41Å; Y94-M108 HydrophobicContact CE2-CE 4.02Å; Y94-M108 HydrophobicContact CE2-CG 3.74Å; T104-M108 VanDerWaalsContact O-CG 3.28Å; T104-M108 WeakPolarHBondContact O-CG 3.46Å; T104-M108 PolarHBondContact O-N 3.01Å; T104-M108 VanDerWaalsContact O-N 3.11Å; A105-M108 PolarHBondContact O-N 3.31Å; C106-M108 PolarHBondContact O-N 3.1Å; M108-L111 PolarHBondContact O-N 2.99Å; M108-L111 HydrophobicContact SD-CD1 4.22Å; M108-K112 WeakPolarHBondContact O-CB 3.28Å; M108-K112 PolarHBondContact O-N 2.89Å; M108-F119 HydrophobicContact CE-CZ 3.87Å; M108-F119 HydrophobicContact SD-CE1 4.45Å; M108-F119 HydrophobicContact SD-CZ 3.79Å; M108-L121 HydrophobicContact CB-CD1 4.22Å; M108-L121 HydrophobicContact CE-CD2 4.06Å; M108-A226 HydrophobicContact CE-CB 4.09Å |
| 109 | F | 95.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 171.9 | -68.1 | -23.6 | 0 | 0 | 0 | 112.4 | I50 L51 V54 F58 Y94 A105 C106 K112 I113 L121 F153 V156 F157 | I50-F109 HydrophobicContact CG2-CB 3.93Å; L51-F109 HydrophobicContact CD2-CD2 3.76Å; L51-F109 HydrophobicContact CD2-CE2 3.57Å; V54-F109 HydrophobicContact CB-CB 4.11Å; V54-F109 HydrophobicContact CB-CG 4.33Å; V54-F109 HydrophobicContact CG1-CB 4.04Å; V54-F109 HydrophobicContact CG1-CD1 4.12Å; V54-F109 HydrophobicContact CG1-CD2 3.96Å; V54-F109 HydrophobicContact CG1-CE2 4.42Å; V54-F109 HydrophobicContact CG1-CG 3.79Å; V54-F109 HydrophobicContact CG2-CB 3.96Å; V54-F109 HydrophobicContact CG2-CD1 3.99Å; V54-F109 HydrophobicContact CG2-CG 4.13Å; F58-F109 HydrophobicContact CE2-CD1 4.1Å; F58-F109 AromaticContact CE2-CE1 3.84Å; F58-F109 HydrophobicContact CE2-CE1 3.84Å; F58-F109 HydrophobicContact CZ-CD1 4.22Å; F58-F109 HydrophobicContact CZ-CE1 4.09Å; Y94-F109 WeakPolarHBondContact OH-CD1 3.33Å; Y94-F109 WeakPolarHBondContact OH-CE1 2.91Å; A105-F109 HydrophobicContact CB-CE2 4.39Å; A105-F109 WeakPolarHBondContact O-CB 3.2Å; A105-F109 VanDerWaalsContact O-CD2 3.32Å; A105-F109 WeakPolarHBondContact O-CD2 3.36Å; A105-F109 WeakPolarHBondContact O-CG 3.41Å; A105-F109 PolarHBondContact O-N 3.12Å; C106-F109 PolarHBondContact O-N 2.99Å; F109-K112 CarbonylContact O-C 3.6Å; F109-K112 WeakPolarHBondContact O-CB 3.01Å; F109-K112 PolarHBondContact O-N 3.12Å; F109-I113 WeakPolarHBondContact O-CG1 3.49Å; F109-I113 PolarHBondContact O-N 2.86Å; F109-L121 HydrophobicContact CD1-CD1 4.09Å; F109-F153 HydrophobicContact CD2-CE1 4.31Å; F109-F153 AromaticContact CE2-CD1 3.84Å; F109-F153 HydrophobicContact CE2-CD1 3.84Å; F109-F153 AromaticContact CE2-CE1 3.7Å; F109-F153 HydrophobicContact CE2-CE1 3.7Å; F109-V156 HydrophobicContact CE1-CG1 3.82Å; F109-V156 HydrophobicContact CE2-CB 4.41Å; F109-V156 HydrophobicContact CE2-CG1 3.77Å; F109-V156 HydrophobicContact CZ-CB 4.3Å; F109-V156 HydrophobicContact CZ-CG1 3.38Å; F109-F157 HydrophobicContact CZ-CD1 4.14Å; F109-F157 AromaticContact CZ-CE1 3.76Å; F109-F157 HydrophobicContact CZ-CE1 3.76Å |
| 110 | L | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 173.7 | -75.5 | 163.4 | 0 | 0 | 0 | 111.9 | F29 M32 L36 I50 C106 L107 I113 R114 | F29-L110 HydrophobicContact CB-CD2 3.86Å; F29-L110 HydrophobicContact CD1-CD2 3.84Å; F29-L110 HydrophobicContact CG-CD2 4.32Å; M32-L110 HydrophobicContact CB-CD1 3.78Å; M32-L110 HydrophobicContact CB-CD2 3.91Å; L36-L110 HydrophobicContact CD1-CD1 3.7Å; I50-L110 HydrophobicContact CD1-CD1 3.84Å; I50-L110 HydrophobicContact CD1-CD2 3.87Å; I50-L110 HydrophobicContact CD1-CG 3.94Å; I50-L110 HydrophobicContact CG1-CD2 3.8Å; I50-L110 HydrophobicContact CG1-CG 4.23Å; I50-L110 HydrophobicContact CG2-CD2 4.38Å; I50-L110 HydrophobicContact CG2-CG 4.18Å; C106-L110 WeakPolarHBondContact O-CB 3.05Å; C106-L110 WeakPolarHBondContact O-CD1 3.49Å; C106-L110 VanDerWaalsContact O-CG 3.25Å; C106-L110 WeakPolarHBondContact O-CG 3.42Å; C106-L110 PolarHBondContact O-N 3.39Å; L107-L110 WeakPolarHBondContact O-CB 3.25Å; L107-L110 PolarHBondContact O-N 3.26Å; L110-I113 PolarHBondContact O-N 2.73Å; L110-R114 WeakPolarHBondContact O-CB 3.25Å; L110-R114 WeakPolarHBondContact O-CG 3.27Å; L110-R114 PolarHBondContact O-N 2.9Å |
| 111 | L | 92.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 171.5 | -66.8 | 175.4 | 0 | 0 | 0 | 111.6 | F88 L107 M108 I113 R114 F115 F119 | F88-L111 HydrophobicContact CZ-CD1 4.11Å; F88-L111 HydrophobicContact CZ-CD2 4.14Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.28Å; M108-L111 PolarHBondContact O-N 2.99Å; M108-L111 HydrophobicContact SD-CD1 4.22Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 2.91Å; L111-R114 PolarHBondContact O-N 2.81Å; L111-F115 HydrophobicContact CD2-CD2 4.02Å; L111-F115 HydrophobicContact CD2-CE2 3.82Å; L111-F115 WeakPolarHBondContact O-CB 3.35Å; L111-F115 PolarHBondContact O-N 2.93Å; L111-F119 HydrophobicContact CB-CD1 3.77Å; L111-F119 HydrophobicContact CB-CE1 3.65Å; L111-F119 HydrophobicContact CB-CG 4.23Å; L111-F119 HydrophobicContact CB-CZ 4.06Å; L111-F119 HydrophobicContact CD1-CE1 4.47Å; L111-F119 HydrophobicContact CD1-CE2 4.33Å; L111-F119 HydrophobicContact CD1-CZ 4.05Å |
| 112 | K | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.9 | -33.1 | 173.6 | -179.9 | 65.1 | -109.5 | 178.5 | 0 | 112.8 | V54 V57 F58 Q61 M108 F109 S116 F119 L121 | V54-K112 HydrophobicContact CG2-CB 4.2Å; V54-K112 HydrophobicContact CG2-CG 3.87Å; V57-K112 HydrophobicContact CG1-CD 4.47Å; V57-K112 HydrophobicContact CG1-CG 4.29Å; F58-K112 HydrophobicContact CD1-CG 4.49Å; F58-K112 HydrophobicContact CE1-CD 3.92Å; F58-K112 HydrophobicContact CE1-CG 3.82Å; F58-K112 HydrophobicContact CZ-CG 4.01Å; Q61-K112 VanDerWaalsContact CD-NZ 3.27Å; M108-K112 WeakPolarHBondContact O-CB 3.28Å; M108-K112 PolarHBondContact O-N 2.89Å; F109-K112 CarbonylContact O-C 3.6Å; F109-K112 WeakPolarHBondContact O-CB 3.01Å; F109-K112 PolarHBondContact O-N 3.12Å; K112-S116 PolarHBondContact NZ-O 3.27Å; K112-S116 WeakPolarHBondContact O-CA 3.26Å; K112-S116 WeakPolarHBondContact O-CB 3.32Å; K112-S116 PolarHBondContact O-N 3.35Å; K112-F119 HydrophobicContact CB-CD1 4.18Å; K112-F119 WeakPolarHBondContact CD-O 3.49Å; K112-F119 VanDerWaalsContact CE-O 3.29Å; K112-F119 WeakPolarHBondContact CE-O 3.29Å; K112-F119 PolarHBondContact NZ-O 2.92Å; K112-L121 HydrophobicContact CB-CD1 3.82Å; K112-L121 HydrophobicContact CB-CG 4.36Å; K112-L121 HydrophobicContact CD-CG 4.47Å; K112-L121 HydrophobicContact CG-CD1 4.22Å |
| 113 | I | 95.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 8% | 0.082 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.7 | -50.3 | 174.7 | -68.8 | 164.4 | 0 | 0 | 0 | 110.8 | F29 I50 K53 V54 F109 L110 L111 | F29-I113 HydrophobicContact CB-CG2 4.22Å; F29-I113 HydrophobicContact CD1-CD1 4.04Å; F29-I113 HydrophobicContact CD1-CG2 4.32Å; F29-I113 HydrophobicContact CD2-CG2 3.66Å; F29-I113 HydrophobicContact CE1-CD1 4.14Å; F29-I113 HydrophobicContact CE2-CG2 4.16Å; F29-I113 HydrophobicContact CG-CG2 3.79Å; I50-I113 HydrophobicContact CG2-CD1 4.11Å; K53-I113 HydrophobicContact CB-CD1 3.91Å; K53-I113 HydrophobicContact CG-CB 4.48Å; K53-I113 HydrophobicContact CG-CD1 3.6Å; K53-I113 HydrophobicContact CG-CG1 3.77Å; K53-I113 HydrophobicContact CG-CG2 3.85Å; V54-I113 HydrophobicContact CB-CD1 4.01Å; V54-I113 HydrophobicContact CB-CG1 4.01Å; V54-I113 HydrophobicContact CG2-CG1 4.18Å; F109-I113 WeakPolarHBondContact O-CG1 3.49Å; F109-I113 PolarHBondContact O-N 2.86Å; L110-I113 PolarHBondContact O-N 2.73Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 2.91Å |
| 114 | R | 93.5 | Very high | 92.3 | Very high | 84 Ų | 84 | 24.4 Ų | 24.4 | 32% | 0.317 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -66.4 | -43.5 | -176.1 | -72.2 | -176.7 | 65 | 144.2 | 13.6 | 112.5 | E30 T33 L110 L111 | E30-R114 IonicContact OE1-CZ 3.66Å; E30-R114 IonicContact OE1-NH1 2.76Å; E30-R114 PolarHBondContact OE1-NH1 2.81Å; E30-R114 IonicContact OE1-NH2 3.67Å; E30-R114 PolarHBondContact OE1-NH2 2.84Å; T33-R114 VanDerWaalsContact OG1-CD 3.26Å; T33-R114 WeakPolarHBondContact OG1-CD 3.28Å; L110-R114 WeakPolarHBondContact O-CB 3.25Å; L110-R114 WeakPolarHBondContact O-CG 3.27Å; L110-R114 PolarHBondContact O-N 2.9Å; L111-R114 PolarHBondContact O-N 2.81Å |
| 115 | F | 92.5 | Very high | 92.5 | Very high | 93 Ų | 93 | 25.1 Ų | 25.1 | 41% | 0.408 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 40.7 | -173.2 | -53 | -70.2 | 0 | 0 | 0 | 111.3 | L111 K117 D118 F119 | L111-F115 HydrophobicContact CD2-CD2 4.02Å; L111-F115 HydrophobicContact CD2-CE2 3.82Å; L111-F115 WeakPolarHBondContact O-CB 3.35Å; L111-F115 PolarHBondContact O-N 2.93Å; F115-K117 PolarHBondContact O-N 3.05Å; F115-D118 PolarHBondContact O-N 3.41Å; F115-F119 HydrophobicContact CB-CB 3.8Å; F115-F119 PolarHBondContact O-N 2.85Å |
| 116 | S | 92.8 | Very high | 92.5 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 35% | 0.35 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.3 | -167.7 | 60.8 | 0 | 0 | 0 | 0 | 117.6 | K112 | K112-S116 PolarHBondContact NZ-O 3.27Å; K112-S116 WeakPolarHBondContact O-CA 3.26Å; K112-S116 WeakPolarHBondContact O-CB 3.32Å; K112-S116 PolarHBondContact O-N 3.35Å |
| 117 | K | 91.8 | Very high | 92.4 | Very high | 153 Ų | 153 | 26.1 Ų | 26.1 | 67% | 0.665 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -9.3 | 177.4 | -64.3 | -177.7 | 178.3 | -178.3 | 0 | 114.5 | F115 F120 R229 | F115-K117 PolarHBondContact O-N 3.05Å; K117-F120 VanDerWaalsContact O-CE2 3.32Å; K117-F120 WeakPolarHBondContact O-CE2 3.44Å; K117-F120 WeakPolarHBondContact O-CZ 3.32Å; K117-R229 PolarHBondContact O-NH1 3.44Å |
| 118 | D | 89.2 | Confident | 92.5 | Very high | 58 Ų | 58 | 26.2 Ų | 26.2 | 31% | 0.31 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -32.3 | -162.8 | -49.9 | -59.7 | 0 | 0 | 0 | 110.9 | F115 F120 C228 R229 | F115-D118 PolarHBondContact O-N 3.41Å; D118-F120 WeakPolarHBondContact O-CD2 3.44Å; D118-C228 CarbonylContact O-C 3.26Å; D118-C228 VanDerWaalsContact O-CA 3.26Å; D118-C228 WeakPolarHBondContact O-CA 3.21Å; D118-R229 HydrophobicContact CB-CB 4.21Å; D118-R229 PolarHBondContact O-N 3.21Å; D118-R229 IonicContact OD1-NH1 3.83Å |
| 119 | F | 90.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 10% | 0.101 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.7 | 169.1 | -168.4 | -100 | 0 | 0 | 0 | 110 | M108 L111 K112 F115 L121 A226 I227 C228 | M108-F119 HydrophobicContact CE-CZ 3.87Å; M108-F119 HydrophobicContact SD-CE1 4.45Å; M108-F119 HydrophobicContact SD-CZ 3.79Å; L111-F119 HydrophobicContact CB-CD1 3.77Å; L111-F119 HydrophobicContact CB-CE1 3.65Å; L111-F119 HydrophobicContact CB-CG 4.23Å; L111-F119 HydrophobicContact CB-CZ 4.06Å; L111-F119 HydrophobicContact CD1-CE1 4.47Å; L111-F119 HydrophobicContact CD1-CE2 4.33Å; L111-F119 HydrophobicContact CD1-CZ 4.05Å; K112-F119 HydrophobicContact CB-CD1 4.18Å; K112-F119 WeakPolarHBondContact CD-O 3.49Å; K112-F119 VanDerWaalsContact CE-O 3.29Å; K112-F119 WeakPolarHBondContact CE-O 3.29Å; K112-F119 PolarHBondContact NZ-O 2.92Å; F115-F119 HydrophobicContact CB-CB 3.8Å; F115-F119 PolarHBondContact O-N 2.85Å; F119-L121 HydrophobicContact CD1-CD2 4.37Å; F119-L121 HydrophobicContact CD1-CG 4.29Å; F119-L121 HydrophobicContact CE1-CD1 4.16Å; F119-L121 HydrophobicContact CE1-CD2 3.51Å; F119-L121 HydrophobicContact CE1-CG 3.78Å; F119-L121 HydrophobicContact CZ-CD2 3.88Å; F119-A226 HydrophobicContact CE2-CB 4.28Å; F119-A226 HydrophobicContact CZ-CB 4.15Å; F119-I227 CarbonylContact C-O 3.33Å; F119-I227 WeakPolarHBondContact CA-O 3.35Å; F119-C228 HydrophobicContact CD2-CB 4.34Å |
| 120 | F | 91.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.6 | -176.9 | -56.5 | -97.4 | 0 | 0 | 0 | 109.4 | Q61 V65 V67 K117 D118 A226 I227 | Q61-F120 VanDerWaalsContact NE2-CD1 3.29Å; V65-F120 HydrophobicContact CG1-CB 4.26Å; V65-F120 HydrophobicContact CG1-CD1 3.28Å; V65-F120 HydrophobicContact CG1-CE1 3.73Å; V65-F120 HydrophobicContact CG1-CG 3.92Å; V67-F120 HydrophobicContact CG1-CD1 4.29Å; V67-F120 HydrophobicContact CG1-CD2 3.97Å; V67-F120 HydrophobicContact CG1-CE1 3.91Å; V67-F120 HydrophobicContact CG1-CE2 3.54Å; V67-F120 HydrophobicContact CG1-CG 4.32Å; V67-F120 HydrophobicContact CG1-CZ 3.5Å; V67-F120 VanDerWaalsContact CG1-CZ 3.5Å; K117-F120 VanDerWaalsContact O-CE2 3.32Å; K117-F120 WeakPolarHBondContact O-CE2 3.44Å; K117-F120 WeakPolarHBondContact O-CZ 3.32Å; D118-F120 WeakPolarHBondContact O-CD2 3.44Å; F120-A226 CarbonylContact O-C 3.53Å; F120-A226 VanDerWaalsContact O-CA 3.28Å; F120-A226 WeakPolarHBondContact O-CA 3.26Å; F120-I227 HydrophobicContact CB-CB 4.21Å; F120-I227 HydrophobicContact CD2-CB 4.46Å; F120-I227 HydrophobicContact CD2-CG2 4.44Å; F120-I227 PolarHBondContact N-O 2.81Å; F120-I227 PolarHBondContact O-N 2.9Å |
| 121 | L | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.4 | 177.7 | -65.5 | 175.4 | 0 | 0 | 0 | 109.6 | F58 Y94 M108 F109 K112 F119 M160 P161 K225 A226 | F58-L121 HydrophobicContact CE1-CB 4.01Å; F58-L121 HydrophobicContact CZ-CB 4.09Å; F58-L121 HydrophobicContact CZ-CD1 4.07Å; Y94-L121 HydrophobicContact CD2-CD2 4.21Å; Y94-L121 HydrophobicContact CE2-CD1 3.87Å; Y94-L121 HydrophobicContact CE2-CD2 3.69Å; Y94-L121 HydrophobicContact CE2-CG 4.32Å; M108-L121 HydrophobicContact CB-CD1 4.22Å; M108-L121 HydrophobicContact CE-CD2 4.06Å; F109-L121 HydrophobicContact CD1-CD1 4.09Å; K112-L121 HydrophobicContact CB-CD1 3.82Å; K112-L121 HydrophobicContact CB-CG 4.36Å; K112-L121 HydrophobicContact CD-CG 4.47Å; K112-L121 HydrophobicContact CG-CD1 4.22Å; F119-L121 HydrophobicContact CD1-CD2 4.37Å; F119-L121 HydrophobicContact CD1-CG 4.29Å; F119-L121 HydrophobicContact CE1-CD1 4.16Å; F119-L121 HydrophobicContact CE1-CD2 3.51Å; F119-L121 HydrophobicContact CE1-CG 3.78Å; F119-L121 HydrophobicContact CZ-CD2 3.88Å; L121-M160 HydrophobicContact CB-CE 4.07Å; L121-P161 WeakPolarHBondContact O-CG 3.48Å; L121-K225 CarbonylContact C-O 3.53Å; L121-K225 VanDerWaalsContact CA-O 3.25Å; L121-K225 WeakPolarHBondContact CA-O 3.48Å; L121-A226 HydrophobicContact CD2-CB 3.91Å |
| 122 | L | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | -108.3 | 148 | 174.4 | -58.3 | -177 | 0 | 0 | 0 | 110.3 | M160 P161 A164 C172 F224 K225 | L122-M160 VanDerWaalsContact O-CE 3.27Å; L122-M160 WeakPolarHBondContact O-CE 3.47Å; L122-P161 CarbonylContact C-O 3.51Å; L122-P161 WeakPolarHBondContact CA-O 3.47Å; L122-P161 HydrophobicContact CD2-CB 4.42Å; L122-P161 HydrophobicContact CD2-CG 4.17Å; L122-A164 HydrophobicContact CD1-CB 4.09Å; L122-A164 HydrophobicContact CD2-CB 4.24Å; L122-C172 HydrophobicContact CD1-CB 4.35Å; L122-F224 HydrophobicContact CD1-CB 4.48Å; L122-K225 PolarHBondContact N-O 2.9Å | ||
| 123 | R | 94.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | trans | -71.7 | 136.6 | 173.6 | -159.3 | -176.7 | -176.6 | 163.2 | 12.3 | 109.7 | E127 F157 D158 M160 P161 V162 V194 L206 | R123-E127 HydrophobicContact CG-CB 3.83Å; R123-E127 VanDerWaalsContact CZ-O 3.29Å; R123-E127 PolarHBondContact NE-O 3.48Å; R123-E127 PolarHBondContact NH2-O 3.43Å; R123-F157 WeakPolarHBondContact CD-O 3.42Å; R123-F157 PolarHBondContact NE-O 3.26Å; R123-D158 IonicContact CZ-OD1 3.44Å; R123-D158 IonicContact NH1-OD1 3.69Å; R123-D158 IonicContact NH2-OD1 2.69Å; R123-D158 PolarHBondContact NH2-OD1 3.38Å; R123-M160 HydrophobicContact CB-CB 3.78Å; R123-M160 HydrophobicContact CG-CB 4.16Å; R123-M160 HydrophobicContact CG-SD 4.49Å; R123-P161 PolarHBondContact N-O 2.82Å; R123-V162 HydrophobicContact CB-CG1 4.1Å; R123-V194 PolarHBondContact NH1-O 3.33Å; R123-L206 HydrophobicContact CB-CD2 4.43Å; R123-L206 WeakPolarHBondContact O-CD2 3.31Å | ||
| 124 | G | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -108.7 | -177.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H126 E127 H174 | G124-H126 VanDerWaalsContact C-N 3.32Å; G124-H126 PolarHBondContact O-N 3.49Å; G124-E127 WeakPolarHBondContact CA-OE2 2.89Å; G124-E127 PolarHBondContact N-OE2 3.34Å; G124-E127 PolarHBondContact O-N 3.43Å; G124-H174 VanDerWaalsContact CA-CG 3.4Å; G124-H174 WeakPolarHBondContact CA-ND1 3.37Å | ||
| 125 | N | 89.9 | Confident | 91.5 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -66.1 | -33.3 | 175.8 | 54.4 | 18.4 | 0 | 0 | 0 | 113 | E127 S128 I131 H174 L206 W207 | N125-E127 PolarHBondContact O-N 3.11Å; N125-S128 VanDerWaalsContact O-CB 3.28Å; N125-S128 WeakPolarHBondContact O-CB 3.01Å; N125-S128 PolarHBondContact O-N 3.34Å; N125-S128 PolarHBondContact O-OG 2.83Å; N125-I131 WeakPolarHBondContact O-CB 3.03Å; N125-H174 VanDerWaalsContact CG-NE2 3.3Å; N125-H174 PolarHBondContact ND2-NE2 3.34Å; N125-H174 PolarHBondContact OD1-NE2 3.11Å; N125-L206 WeakPolarHBondContact CB-O 3.49Å; N125-W207 HydrophobicContact CB-CD2 3.93Å; N125-W207 HydrophobicContact CB-CE3 4.21Å; N125-W207 HydrophobicContact CB-CH2 3.84Å; N125-W207 HydrophobicContact CB-CZ2 3.54Å; N125-W207 HydrophobicContact CB-CZ3 4.17Å |
| 126 | H | 89.5 | Confident | 91.3 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -64.4 | -25.7 | 174.3 | -77.4 | -80.4 | 0 | 0 | 0 | 112.5 | D96 G124 S128 I131 N132 Y135 | D96-H126 WeakPolarHBondContact CB-ND1 3.44Å; D96-H126 IonicContact OD2-CE1 3.55Å; D96-H126 IonicContact OD2-CG 3.01Å; D96-H126 IonicContact OD2-ND1 2.71Å; D96-H126 PolarHBondContact OD2-ND1 2.91Å; G124-H126 VanDerWaalsContact C-N 3.32Å; G124-H126 PolarHBondContact O-N 3.49Å; H126-S128 PolarHBondContact O-N 2.93Å; H126-I131 HydrophobicContact CB-CG2 4.49Å; H126-I131 WeakPolarHBondContact ND1-CG2 3.4Å; H126-N132 WeakPolarHBondContact O-CB 3.4Å; H126-N132 PolarHBondContact O-ND2 3.43Å; H126-Y135 AromaticContact CE1-CG 4Å |
| 127 | E | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -82 | 51.3 | 170.7 | -66.8 | 71.4 | -146 | 0 | 0 | 110.9 | Y94 R123 G124 N125 F157 M160 K225 | Y94-E127 HydrophobicContact CD1-CG 4.48Å; Y94-E127 VanDerWaalsContact CD1-OE1 3.25Å; Y94-E127 WeakPolarHBondContact CD1-OE1 3.25Å; R123-E127 HydrophobicContact CG-CB 3.83Å; R123-E127 VanDerWaalsContact CZ-O 3.29Å; R123-E127 PolarHBondContact NE-O 3.48Å; R123-E127 PolarHBondContact NH2-O 3.43Å; G124-E127 WeakPolarHBondContact CA-OE2 2.89Å; G124-E127 PolarHBondContact N-OE2 3.34Å; G124-E127 PolarHBondContact O-N 3.43Å; N125-E127 PolarHBondContact O-N 3.11Å; E127-F157 HydrophobicContact CB-CB 4.01Å; E127-F157 HydrophobicContact CB-CD1 3.67Å; E127-F157 HydrophobicContact CB-CD2 4.28Å; E127-F157 HydrophobicContact CB-CE1 4.14Å; E127-F157 HydrophobicContact CB-CG 3.75Å; E127-F157 HydrophobicContact CG-CD1 3.61Å; E127-F157 HydrophobicContact CG-CE1 3.62Å; E127-F157 HydrophobicContact CG-CG 4.19Å; E127-F157 HydrophobicContact CG-CZ 4.21Å; E127-F157 WeakPolarHBondContact O-CB 3.45Å; E127-M160 HydrophobicContact CB-SD 4.26Å; E127-M160 HydrophobicContact CG-SD 4.11Å; E127-K225 WeakPolarHBondContact OE1-CE 3.23Å; E127-K225 IonicContact OE1-NZ 2.73Å; E127-K225 PolarHBondContact OE1-NZ 3.18Å; E127-K225 WeakPolarHBondContact OE2-CE 3.45Å; E127-K225 IonicContact OE2-NZ 3.7Å; E127-K225 PolarHBondContact OE2-NZ 3.1Å |
| 128 | S | 92 | Very high | 91.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -143.1 | 146.9 | 176.4 | 76 | 0 | 0 | 0 | 0 | 112.4 | N125 H126 A130 I131 N132 I196 | N125-S128 VanDerWaalsContact O-CB 3.28Å; N125-S128 WeakPolarHBondContact O-CB 3.01Å; N125-S128 PolarHBondContact O-N 3.34Å; N125-S128 PolarHBondContact O-OG 2.83Å; H126-S128 PolarHBondContact O-N 2.93Å; S128-A130 PolarHBondContact O-N 3.31Å; S128-I131 PolarHBondContact O-N 3.44Å; S128-I131 VanDerWaalsContact O-N 3.15Å; S128-I131 WeakPolarHBondContact OG-CG1 3.39Å; S128-N132 PolarHBondContact O-N 2.71Å; S128-N132 PolarHBondContact O-ND2 3.31Å; S128-N132 PolarHBondContact O-OD1 3.3Å; S128-I196 VanDerWaalsContact CB-CD1 3.42Å |
| 129 | S | 93.8 | Very high | 91.4 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -29.9 | -175.3 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | R133 Q154 | S129-R133 WeakPolarHBondContact O-CB 3.24Å; S129-Q154 VanDerWaalsContact CA-OE1 3.25Å |
| 130 | A | 91.6 | Very high | 91.3 | Very high | 57 Ų | 57 | 35.1 Ų | 35.1 | 47% | 0.471 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.7 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S128 V134 | S128-A130 PolarHBondContact O-N 3.31Å; A130-V134 WeakPolarHBondContact O-CG2 3.27Å |
| 131 | I | 90.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -88.7 | -51.9 | -173 | -58.6 | -49.6 | 0 | 0 | 0 | 111.2 | N125 H126 S128 R133 V134 Y135 W207 | N125-I131 WeakPolarHBondContact O-CB 3.03Å; H126-I131 HydrophobicContact CB-CG2 4.49Å; H126-I131 WeakPolarHBondContact ND1-CG2 3.4Å; S128-I131 PolarHBondContact O-N 3.44Å; S128-I131 VanDerWaalsContact O-N 3.15Å; S128-I131 WeakPolarHBondContact OG-CG1 3.39Å; I131-R133 PolarHBondContact O-N 3.45Å; I131-R133 VanDerWaalsContact O-N 3.08Å; I131-V134 WeakPolarHBondContact O-CA 3.5Å; I131-V134 PolarHBondContact O-N 2.73Å; I131-Y135 HydrophobicContact CG2-CD2 3.52Å; I131-Y135 HydrophobicContact CG2-CE2 3.88Å; I131-Y135 HydrophobicContact CG2-CG 4.39Å; I131-Y135 WeakPolarHBondContact O-CD2 3.48Å; I131-Y135 PolarHBondContact O-N 3.14Å; I131-W207 HydrophobicContact CD1-CH2 3.47Å; I131-W207 VanDerWaalsContact CD1-CH2 3.47Å; I131-W207 HydrophobicContact CD1-CZ2 3.68Å; I131-W207 HydrophobicContact CG1-CH2 3.67Å; I131-W207 HydrophobicContact CG1-CZ2 3.56Å |
| 132 | N | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -16.3 | -177.1 | 69 | 36 | 0 | 0 | 0 | 113.4 | H126 S128 F137 M138 W150 Q154 F157 | H126-N132 WeakPolarHBondContact O-CB 3.4Å; H126-N132 PolarHBondContact O-ND2 3.43Å; S128-N132 PolarHBondContact O-N 2.71Å; S128-N132 PolarHBondContact O-ND2 3.31Å; S128-N132 PolarHBondContact O-OD1 3.3Å; N132-F137 HydrophobicContact CB-CB 3.7Å; N132-F137 HydrophobicContact CB-CD1 4.07Å; N132-F137 HydrophobicContact CB-CG 4.23Å; N132-F137 WeakPolarHBondContact O-CB 3.38Å; N132-F137 PolarHBondContact O-N 3.27Å; N132-M138 PolarHBondContact O-N 2.98Å; N132-W150 PolarHBondContact OD1-NE1 3.36Å; N132-Q154 PolarHBondContact ND2-NE2 3.43Å; N132-Q154 VanDerWaalsContact ND2-NE2 3.2Å; N132-Q154 PolarHBondContact ND2-OE1 3.26Å; N132-Q154 PolarHBondContact OD1-NE2 3.35Å; N132-Q154 PolarHBondContact OD1-OE1 3.31Å; N132-F157 WeakPolarHBondContact ND2-CE2 3.24Å |
| 133 | R | 91.8 | Very high | 91.5 | Very high | 152 Ų | 152 | 45 Ų | 45 | 57% | 0.574 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -28.6 | 166.8 | 178.6 | 170.2 | -176.3 | -146 | -0.4 | 114.4 | S129 I131 M138 W150 | S129-R133 WeakPolarHBondContact O-CB 3.24Å; I131-R133 PolarHBondContact O-N 3.45Å; I131-R133 VanDerWaalsContact O-N 3.08Å; R133-M138 HydrophobicContact CB-CB 4.42Å; R133-M138 HydrophobicContact CB-SD 4.48Å; R133-M138 HydrophobicContact CG-CE 3.91Å; R133-M138 HydrophobicContact CG-SD 3.76Å; R133-W150 HydrophobicContact CB-CZ2 4.1Å |
| 134 | V | 89.7 | Confident | 91.4 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 69% | 0.685 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -31.4 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | A130 I131 | A130-V134 WeakPolarHBondContact O-CG2 3.27Å; I131-V134 WeakPolarHBondContact O-CA 3.5Å; I131-V134 PolarHBondContact O-N 2.73Å |
| 135 | Y | 84.9 | Confident | 91.6 | Very high | 134 Ų | 134 | 50.7 Ų | 50.7 | 53% | 0.525 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.9 | -175.2 | -76.4 | -91.8 | 0 | 0 | 0 | 114.9 | D96 H126 I131 | D96-Y135 WeakPolarHBondContact OD2-CB 3.42Å; H126-Y135 AromaticContact CE1-CG 4Å; I131-Y135 HydrophobicContact CG2-CD2 3.52Å; I131-Y135 HydrophobicContact CG2-CE2 3.88Å; I131-Y135 HydrophobicContact CG2-CG 4.39Å; I131-Y135 WeakPolarHBondContact O-CD2 3.48Å; I131-Y135 PolarHBondContact O-N 3.14Å |
| 136 | G | 88.2 | Confident | 91.8 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.9 | -2.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | E139 E140 | G136-E139 VanDerWaalsContact CA-OE2 3.24Å; G136-E139 WeakPolarHBondContact CA-OE2 3.29Å; G136-E139 PolarHBondContact O-N 3.36Å; G136-E140 WeakPolarHBondContact O-CB 3.36Å; G136-E140 PolarHBondContact O-N 3.17Å |
| 137 | F | 88.5 | Confident | 92.2 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -36.4 | 179.6 | -172.7 | -112.8 | 0 | 0 | 0 | 112.6 | I102 N132 E139 E140 C141 W150 F153 F157 | I102-F137 HydrophobicContact CG1-CE2 3.96Å; I102-F137 HydrophobicContact CG1-CZ 4.47Å; N132-F137 HydrophobicContact CB-CB 3.7Å; N132-F137 HydrophobicContact CB-CD1 4.07Å; N132-F137 HydrophobicContact CB-CG 4.23Å; N132-F137 WeakPolarHBondContact O-CB 3.38Å; N132-F137 PolarHBondContact O-N 3.27Å; F137-E139 VanDerWaalsContact C-N 3.34Å; F137-E140 PolarHBondContact O-N 3.06Å; F137-C141 PolarHBondContact O-N 3.5Å; F137-C141 PolarHBondContact O-SG 3.49Å; F137-W150 AromaticContact CD1-CD1 3.8Å; F137-F153 HydrophobicContact CE1-CB 3.72Å; F137-F153 HydrophobicContact CE1-CD1 4.11Å; F137-F153 AromaticContact CE1-CD2 3.92Å; F137-F153 HydrophobicContact CE1-CD2 3.92Å; F137-F153 AromaticContact CE1-CG 3.67Å; F137-F153 HydrophobicContact CE1-CG 3.67Å; F137-F153 HydrophobicContact CZ-CB 4.23Å; F137-F153 AromaticContact CZ-CD1 3.76Å; F137-F153 HydrophobicContact CZ-CD1 3.76Å; F137-F153 AromaticContact CZ-CD2 3.72Å; F137-F153 HydrophobicContact CZ-CD2 3.72Å; F137-F153 AromaticContact CZ-CE1 3.97Å; F137-F153 HydrophobicContact CZ-CE1 3.97Å; F137-F153 AromaticContact CZ-CE2 3.95Å; F137-F153 HydrophobicContact CZ-CE2 3.95Å; F137-F153 AromaticContact CZ-CG 3.65Å; F137-F153 HydrophobicContact CZ-CG 3.65Å; F137-F153 HydrophobicContact CZ-CZ 4.07Å; F137-F157 HydrophobicContact CD1-CE2 4.39Å; F137-F157 AromaticContact CE1-CE2 3.92Å; F137-F157 HydrophobicContact CE1-CE2 3.92Å; F137-F157 HydrophobicContact CE1-CZ 4.08Å; F137-F157 HydrophobicContact CZ-CZ 4.37Å |
| 138 | M | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 172.9 | -173.4 | -168.7 | 66.5 | 0 | 0 | 110.5 | N132 R133 C141 C142 I147 W150 | N132-M138 PolarHBondContact O-N 2.98Å; R133-M138 HydrophobicContact CB-CB 4.42Å; R133-M138 HydrophobicContact CB-SD 4.48Å; R133-M138 HydrophobicContact CG-CE 3.91Å; R133-M138 HydrophobicContact CG-SD 3.76Å; M138-C141 PolarHBondContact O-N 3.1Å; M138-C142 WeakPolarHBondContact O-CB 3.35Å; M138-C142 PolarHBondContact O-N 3.01Å; M138-C142 PolarHBondContact O-SG 2.86Å; M138-I147 HydrophobicContact CG-CD1 3.76Å; M138-I147 HydrophobicContact SD-CD1 3.95Å; M138-W150 HydrophobicContact CB-CD2 4.16Å; M138-W150 HydrophobicContact CB-CG 4.01Å; M138-W150 HydrophobicContact CG-CB 4.47Å; M138-W150 HydrophobicContact CG-CD2 3.75Å; M138-W150 HydrophobicContact CG-CE3 4.26Å; M138-W150 HydrophobicContact CG-CG 3.83Å |
| 139 | E | 92.9 | Very high | 92.7 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 176.1 | -68.8 | 67.7 | -156.9 | 0 | 0 | 111.4 | G136 F137 C142 R143 | G136-E139 VanDerWaalsContact CA-OE2 3.24Å; G136-E139 WeakPolarHBondContact CA-OE2 3.29Å; G136-E139 PolarHBondContact O-N 3.36Å; F137-E139 VanDerWaalsContact C-N 3.34Å; E139-C142 PolarHBondContact O-N 3.44Å; E139-R143 WeakPolarHBondContact O-CB 3.33Å; E139-R143 PolarHBondContact O-N 3.46Å |
| 140 | E | 88.7 | Confident | 92.9 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.6 | -161.9 | -175.9 | 131.8 | 0 | 0 | 111.1 | S101 I102 G136 F137 R143 C144 | S101-E140 WeakPolarHBondContact CB-OE2 3.49Å; S101-E140 PolarHBondContact N-OE1 2.77Å; S101-E140 PolarHBondContact N-OE2 3.21Å; S101-E140 PolarHBondContact OG-OE2 3.05Å; I102-E140 HydrophobicContact CD1-CB 4.45Å; I102-E140 HydrophobicContact CD1-CG 3.97Å; I102-E140 HydrophobicContact CG1-CG 4.27Å; I102-E140 WeakPolarHBondContact CG1-OE1 3.46Å; I102-E140 PolarHBondContact N-OE1 3.4Å; G136-E140 WeakPolarHBondContact O-CB 3.36Å; G136-E140 PolarHBondContact O-N 3.17Å; F137-E140 PolarHBondContact O-N 3.06Å; E140-R143 PolarHBondContact O-N 3.08Å; E140-C144 WeakPolarHBondContact O-CB 3.24Å; E140-C144 PolarHBondContact O-N 2.97Å |
| 141 | C | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 175.9 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | F137 M138 R143 C144 Y145 D146 W150 | F137-C141 PolarHBondContact O-N 3.5Å; F137-C141 PolarHBondContact O-SG 3.49Å; M138-C141 PolarHBondContact O-N 3.1Å; C141-R143 VanDerWaalsContact C-N 3.29Å; C141-R143 PolarHBondContact O-N 2.9Å; C141-C144 PolarHBondContact O-N 2.96Å; C141-Y145 CarbonylContact O-C 3.59Å; C141-Y145 WeakPolarHBondContact O-CA 3.24Å; C141-Y145 PolarHBondContact O-N 3.36Å; C141-D146 PolarHBondContact O-N 3.48Å; C141-W150 HydrophobicContact CB-CB 3.74Å |
| 142 | C | 95.8 | Very high | 93.6 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -27.8 | 179.7 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | M138 E139 | M138-C142 WeakPolarHBondContact O-CB 3.35Å; M138-C142 PolarHBondContact O-N 3.01Å; M138-C142 PolarHBondContact O-SG 2.86Å; E139-C142 PolarHBondContact O-N 3.44Å |
| 143 | R | 94.4 | Very high | 93.8 | Very high | 166 Ų | 166 | 63.5 Ų | 63.5 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -82.7 | -35.9 | 179.4 | -178 | -173.9 | 55.6 | 63.3 | 1.9 | 112.6 | E139 E140 C141 | E139-R143 WeakPolarHBondContact O-CB 3.33Å; E139-R143 PolarHBondContact O-N 3.46Å; E140-R143 PolarHBondContact O-N 3.08Å; C141-R143 VanDerWaalsContact C-N 3.29Å; C141-R143 PolarHBondContact O-N 2.9Å |
| 144 | C | 93.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -89.4 | -32.1 | -179.6 | -68.1 | 0 | 0 | 0 | 0 | 112.9 | I102 E140 C141 | I102-C144 HydrophobicContact CD1-CB 4.09Å; E140-C144 WeakPolarHBondContact O-CB 3.24Å; E140-C144 PolarHBondContact O-N 2.97Å; C141-C144 PolarHBondContact O-N 2.96Å |
| 145 | Y | 95.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -139.2 | -105.9 | -173.8 | -52.8 | -90.2 | 0 | 0 | 0 | 109.7 | L42 I47 I102 C141 L149 | L42-Y145 WeakPolarHBondContact O-CE1 2.95Å; L42-Y145 PolarHBondContact O-OH 3.3Å; I47-Y145 HydrophobicContact CD1-CE1 3.88Å; I47-Y145 HydrophobicContact CD1-CE2 3.96Å; I47-Y145 VanDerWaalsContact CD1-CZ 3.49Å; I47-Y145 WeakPolarHBondContact CD1-OH 3.17Å; I102-Y145 HydrophobicContact CD1-CD2 3.93Å; I102-Y145 HydrophobicContact CD1-CE2 3.82Å; I102-Y145 HydrophobicContact CG2-CE2 4.07Å; C141-Y145 CarbonylContact O-C 3.59Å; C141-Y145 WeakPolarHBondContact O-CA 3.24Å; C141-Y145 PolarHBondContact O-N 3.36Å; Y145-L149 HydrophobicContact CD1-CD2 4.26Å; Y145-L149 HydrophobicContact CD2-CD2 3.23Å; Y145-L149 HydrophobicContact CE2-CD2 3.91Å; Y145-L149 HydrophobicContact CG-CD2 3.46Å; Y145-L149 VanDerWaalsContact CG-CD2 3.46Å |
| 146 | D | 94.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | trans | -153.6 | 178.9 | 175.6 | 63.8 | 44.8 | 0 | 0 | 0 | 111.9 | C141 S148 L149 | C141-D146 PolarHBondContact O-N 3.48Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.36Å; D146-S148 VanDerWaalsContact OD1-CA 3.3Å; D146-S148 WeakPolarHBondContact OD1-CA 3.29Å; D146-S148 VanDerWaalsContact OD1-CB 3.23Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 3.27Å; D146-S148 PolarHBondContact OD1-OG 2.84Å; D146-L149 PolarHBondContact O-N 3.35Å; D146-L149 PolarHBondContact OD1-N 2.86Å | ||
| 147 | I | 97 | Very high | 95.6 | Very high | 75 Ų | 75 | 47 Ų | 47 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.4 | -29.2 | 177.8 | -171.1 | 63.2 | 0 | 0 | 0 | 113.1 | M138 L149 W150 E151 | M138-I147 HydrophobicContact CG-CD1 3.76Å; M138-I147 HydrophobicContact SD-CD1 3.95Å; I147-L149 VanDerWaalsContact C-N 3.25Å; I147-L149 PolarHBondContact O-N 2.9Å; I147-W150 HydrophobicContact CD1-CB 4.37Å; I147-W150 HydrophobicContact CD1-CD2 4.28Å; I147-W150 HydrophobicContact CD1-CE3 3.7Å; I147-W150 HydrophobicContact CD1-CZ3 4.41Å; I147-W150 WeakPolarHBondContact O-CB 3.46Å; I147-W150 PolarHBondContact O-N 3.38Å; I147-W150 VanDerWaalsContact O-N 3.1Å; I147-E151 WeakPolarHBondContact O-CG 3.12Å; I147-E151 PolarHBondContact O-N 3.19Å |
| 148 | S | 97.6 | Very high | 96 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.9 | -28.9 | -179.5 | 84.5 | 0 | 0 | 0 | 0 | 111.8 | D146 E151 R152 | D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.36Å; D146-S148 VanDerWaalsContact OD1-CA 3.3Å; D146-S148 WeakPolarHBondContact OD1-CA 3.29Å; D146-S148 VanDerWaalsContact OD1-CB 3.23Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 3.27Å; D146-S148 PolarHBondContact OD1-OG 2.84Å; S148-E151 PolarHBondContact O-N 3.39Å; S148-R152 VanDerWaalsContact O-CG 3.24Å; S148-R152 WeakPolarHBondContact O-CG 3.11Å; S148-R152 PolarHBondContact O-N 3.12Å |
| 149 | L | 97.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 170.7 | -176.1 | 63 | 0 | 0 | 0 | 111.3 | I47 L51 Y145 D146 I147 E151 R152 F153 | I47-L149 HydrophobicContact CB-CD1 4.2Å; I47-L149 HydrophobicContact CD1-CD2 4.37Å; I47-L149 HydrophobicContact CG2-CD1 3.69Å; L51-L149 HydrophobicContact CD1-CD1 3.9Å; Y145-L149 HydrophobicContact CD1-CD2 4.26Å; Y145-L149 HydrophobicContact CD2-CD2 3.23Å; Y145-L149 HydrophobicContact CE2-CD2 3.91Å; Y145-L149 HydrophobicContact CG-CD2 3.46Å; Y145-L149 VanDerWaalsContact CG-CD2 3.46Å; D146-L149 PolarHBondContact O-N 3.35Å; D146-L149 PolarHBondContact OD1-N 2.86Å; I147-L149 VanDerWaalsContact C-N 3.25Å; I147-L149 PolarHBondContact O-N 2.9Å; L149-E151 PolarHBondContact O-N 2.92Å; L149-R152 PolarHBondContact O-N 3.48Å; L149-F153 HydrophobicContact CD1-CD2 4.24Å; L149-F153 HydrophobicContact CD1-CE2 3.93Å; L149-F153 HydrophobicContact CD2-CE2 4.18Å; L149-F153 HydrophobicContact CG-CD2 4Å; L149-F153 HydrophobicContact CG-CE2 3.81Å; L149-F153 VanDerWaalsContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CD2 3.46Å; L149-F153 PolarHBondContact O-N 3.03Å |
| 150 | W | 97.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 11% | 0.114 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 177 | 174.4 | 79 | 0 | 0 | 0 | 112 | N132 R133 F137 M138 C141 I147 R152 F153 Q154 | N132-W150 PolarHBondContact OD1-NE1 3.36Å; R133-W150 HydrophobicContact CB-CZ2 4.1Å; F137-W150 AromaticContact CD1-CD1 3.8Å; M138-W150 HydrophobicContact CB-CD2 4.16Å; M138-W150 HydrophobicContact CB-CG 4.01Å; M138-W150 HydrophobicContact CG-CB 4.47Å; M138-W150 HydrophobicContact CG-CD2 3.75Å; M138-W150 HydrophobicContact CG-CE3 4.26Å; M138-W150 HydrophobicContact CG-CG 3.83Å; C141-W150 HydrophobicContact CB-CB 3.74Å; I147-W150 HydrophobicContact CD1-CB 4.37Å; I147-W150 HydrophobicContact CD1-CD2 4.28Å; I147-W150 HydrophobicContact CD1-CE3 3.7Å; I147-W150 HydrophobicContact CD1-CZ3 4.41Å; I147-W150 WeakPolarHBondContact O-CB 3.46Å; I147-W150 PolarHBondContact O-N 3.38Å; I147-W150 VanDerWaalsContact O-N 3.1Å; W150-R152 VanDerWaalsContact C-N 3.29Å; W150-R152 PolarHBondContact O-N 2.88Å; W150-F153 WeakPolarHBondContact O-CB 3.42Å; W150-F153 PolarHBondContact O-N 2.89Å; W150-F153 VanDerWaalsContact O-N 3.17Å; W150-Q154 HydrophobicContact CD2-CG 4.17Å; W150-Q154 HydrophobicContact CE3-CG 4.41Å; W150-Q154 HydrophobicContact CH2-CG 4.15Å; W150-Q154 HydrophobicContact CZ2-CG 3.89Å; W150-Q154 HydrophobicContact CZ3-CG 4.4Å; W150-Q154 WeakPolarHBondContact O-CG 3.41Å; W150-Q154 PolarHBondContact O-N 3.25Å; W150-Q154 PolarHBondContact O-NE2 2.84Å; W150-Q154 VanDerWaalsContact O-NE2 3.1Å |
| 151 | E | 98.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.3 | -67.1 | 175.6 | 151.7 | 0 | 0 | 112 | I147 S148 L149 Q154 C155 | I147-E151 WeakPolarHBondContact O-CG 3.12Å; I147-E151 PolarHBondContact O-N 3.19Å; S148-E151 PolarHBondContact O-N 3.39Å; L149-E151 PolarHBondContact O-N 2.92Å; E151-Q154 PolarHBondContact O-N 2.96Å; E151-C155 PolarHBondContact O-N 2.92Å; E151-C155 PolarHBondContact O-SG 3.45Å |
| 152 | R | 98.5 | Very high | 96.9 | Very high | 90 Ų | 90 | 45 Ų | 45 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.2 | -35.2 | 175.2 | -70.9 | 171.1 | 178.6 | -91.9 | 8.6 | 112.9 | I48 L51 E52 S148 L149 W150 C155 V156 | I48-R152 VanDerWaalsContact CG2-NH1 3.34Å; L51-R152 HydrophobicContact CD1-CB 3.78Å; E52-R152 IonicContact OE1-NH1 3.6Å; E52-R152 PolarHBondContact OE1-NH1 3.39Å; S148-R152 VanDerWaalsContact O-CG 3.24Å; S148-R152 WeakPolarHBondContact O-CG 3.11Å; S148-R152 PolarHBondContact O-N 3.12Å; L149-R152 PolarHBondContact O-N 3.48Å; W150-R152 VanDerWaalsContact C-N 3.29Å; W150-R152 PolarHBondContact O-N 2.88Å; R152-C155 WeakPolarHBondContact O-CB 3.28Å; R152-C155 PolarHBondContact O-N 2.94Å; R152-V156 PolarHBondContact O-N 2.62Å; R152-V156 VanDerWaalsContact O-N 3.12Å |
| 153 | F | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 169.2 | -87 | -77 | 0 | 0 | 0 | 111.5 | I47 L51 I102 A105 F109 F137 L149 W150 C155 V156 F157 | I47-F153 HydrophobicContact CG2-CE2 4.25Å; I47-F153 HydrophobicContact CG2-CZ 4.14Å; L51-F153 HydrophobicContact CD1-CD2 4.1Å; L51-F153 HydrophobicContact CD1-CE2 4.18Å; L51-F153 HydrophobicContact CD1-CG 4.27Å; L51-F153 HydrophobicContact CD1-CZ 4.43Å; L51-F153 HydrophobicContact CD2-CD1 3.66Å; L51-F153 HydrophobicContact CD2-CE1 3.62Å; L51-F153 HydrophobicContact CD2-CG 4.17Å; L51-F153 HydrophobicContact CD2-CZ 4.09Å; I102-F153 HydrophobicContact CG2-CE2 4.26Å; I102-F153 HydrophobicContact CG2-CZ 4.15Å; A105-F153 HydrophobicContact CB-CE1 3.73Å; A105-F153 HydrophobicContact CB-CZ 4.44Å; F109-F153 HydrophobicContact CD2-CE1 4.31Å; F109-F153 AromaticContact CE2-CD1 3.84Å; F109-F153 HydrophobicContact CE2-CD1 3.84Å; F109-F153 AromaticContact CE2-CE1 3.7Å; F109-F153 HydrophobicContact CE2-CE1 3.7Å; F137-F153 HydrophobicContact CE1-CB 3.72Å; F137-F153 HydrophobicContact CE1-CD1 4.11Å; F137-F153 AromaticContact CE1-CD2 3.92Å; F137-F153 HydrophobicContact CE1-CD2 3.92Å; F137-F153 AromaticContact CE1-CG 3.67Å; F137-F153 HydrophobicContact CE1-CG 3.67Å; F137-F153 HydrophobicContact CZ-CB 4.23Å; F137-F153 AromaticContact CZ-CD1 3.76Å; F137-F153 HydrophobicContact CZ-CD1 3.76Å; F137-F153 AromaticContact CZ-CD2 3.72Å; F137-F153 HydrophobicContact CZ-CD2 3.72Å; F137-F153 AromaticContact CZ-CE1 3.97Å; F137-F153 HydrophobicContact CZ-CE1 3.97Å; F137-F153 AromaticContact CZ-CE2 3.95Å; F137-F153 HydrophobicContact CZ-CE2 3.95Å; F137-F153 AromaticContact CZ-CG 3.65Å; F137-F153 HydrophobicContact CZ-CG 3.65Å; F137-F153 HydrophobicContact CZ-CZ 4.07Å; L149-F153 HydrophobicContact CD1-CD2 4.24Å; L149-F153 HydrophobicContact CD1-CE2 3.93Å; L149-F153 HydrophobicContact CD2-CE2 4.18Å; L149-F153 HydrophobicContact CG-CD2 4Å; L149-F153 HydrophobicContact CG-CE2 3.81Å; L149-F153 VanDerWaalsContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CD2 3.46Å; L149-F153 PolarHBondContact O-N 3.03Å; W150-F153 WeakPolarHBondContact O-CB 3.42Å; W150-F153 PolarHBondContact O-N 2.89Å; W150-F153 VanDerWaalsContact O-N 3.17Å; F153-C155 VanDerWaalsContact C-N 3.29Å; F153-C155 PolarHBondContact O-N 3.05Å; F153-V156 WeakPolarHBondContact O-CA 3.39Å; F153-V156 WeakPolarHBondContact O-CB 3.3Å; F153-V156 PolarHBondContact O-N 2.78Å; F153-F157 HydrophobicContact CB-CD2 4.42Å; F153-F157 HydrophobicContact CB-CE2 3.9Å; F153-F157 HydrophobicContact CB-CZ 4.21Å; F153-F157 HydrophobicContact CD1-CE1 4.37Å; F153-F157 HydrophobicContact CD1-CE2 4.48Å; F153-F157 AromaticContact CD1-CZ 3.94Å; F153-F157 HydrophobicContact CD1-CZ 3.94Å; F153-F157 HydrophobicContact CG-CZ 4.48Å; F153-F157 VanDerWaalsContact O-CD2 3.29Å; F153-F157 WeakPolarHBondContact O-CD2 3.43Å; F153-F157 VanDerWaalsContact O-CG 3.24Å; F153-F157 WeakPolarHBondContact O-CG 3.42Å; F153-F157 PolarHBondContact O-N 3.47Å |
| 154 | Q | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.4 | -54.7 | -33.8 | -65.7 | 0 | 0 | 111 | S129 N132 W150 E151 V156 F157 D158 | S129-Q154 VanDerWaalsContact CA-OE1 3.25Å; N132-Q154 PolarHBondContact ND2-NE2 3.43Å; N132-Q154 VanDerWaalsContact ND2-NE2 3.2Å; N132-Q154 PolarHBondContact ND2-OE1 3.26Å; N132-Q154 PolarHBondContact OD1-NE2 3.35Å; N132-Q154 PolarHBondContact OD1-OE1 3.31Å; W150-Q154 HydrophobicContact CD2-CG 4.17Å; W150-Q154 HydrophobicContact CE3-CG 4.41Å; W150-Q154 HydrophobicContact CH2-CG 4.15Å; W150-Q154 HydrophobicContact CZ2-CG 3.89Å; W150-Q154 HydrophobicContact CZ3-CG 4.4Å; W150-Q154 WeakPolarHBondContact O-CG 3.41Å; W150-Q154 PolarHBondContact O-N 3.25Å; W150-Q154 PolarHBondContact O-NE2 2.84Å; W150-Q154 VanDerWaalsContact O-NE2 3.1Å; E151-Q154 PolarHBondContact O-N 2.96Å; Q154-V156 PolarHBondContact O-N 2.86Å; Q154-F157 PolarHBondContact O-N 2.93Å; Q154-F157 VanDerWaalsContact O-N 3.13Å; Q154-D158 WeakPolarHBondContact O-CB 3.31Å; Q154-D158 VanDerWaalsContact O-CG 3.24Å; Q154-D158 PolarHBondContact O-N 3.04Å |
| 155 | C | 97.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 32 Ų | 32 | 43% | 0.426 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.2 | -33.9 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | E151 R152 F153 R159 | E151-C155 PolarHBondContact O-N 2.92Å; E151-C155 PolarHBondContact O-SG 3.45Å; R152-C155 WeakPolarHBondContact O-CB 3.28Å; R152-C155 PolarHBondContact O-N 2.94Å; F153-C155 VanDerWaalsContact C-N 3.29Å; F153-C155 PolarHBondContact O-N 3.05Å; C155-R159 VanDerWaalsContact O-CD 3.27Å; C155-R159 WeakPolarHBondContact O-CD 3.39Å; C155-R159 WeakPolarHBondContact O-CG 3.47Å; C155-R159 PolarHBondContact O-NH1 3.06Å |
| 156 | V | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.8 | -48.3 | 172.9 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L51 V54 A55 F58 F109 R152 F153 Q154 D158 R159 M160 | L51-V156 HydrophobicContact CB-CG2 3.77Å; L51-V156 HydrophobicContact CD2-CB 4.35Å; L51-V156 HydrophobicContact CD2-CG2 3.67Å; L51-V156 HydrophobicContact CG-CG2 4.28Å; L51-V156 WeakPolarHBondContact O-CG2 3.48Å; V54-V156 HydrophobicContact CG1-CB 4.46Å; V54-V156 HydrophobicContact CG1-CG1 3.58Å; V54-V156 HydrophobicContact CG1-CG2 3.95Å; A55-V156 HydrophobicContact CB-CG2 4.21Å; F58-V156 HydrophobicContact CD2-CG1 3.99Å; F58-V156 HydrophobicContact CE2-CG1 3.74Å; F109-V156 HydrophobicContact CE1-CG1 3.82Å; F109-V156 HydrophobicContact CE2-CB 4.41Å; F109-V156 HydrophobicContact CE2-CG1 3.77Å; F109-V156 HydrophobicContact CZ-CB 4.3Å; F109-V156 HydrophobicContact CZ-CG1 3.38Å; R152-V156 PolarHBondContact O-N 2.62Å; R152-V156 VanDerWaalsContact O-N 3.12Å; F153-V156 WeakPolarHBondContact O-CA 3.39Å; F153-V156 WeakPolarHBondContact O-CB 3.3Å; F153-V156 PolarHBondContact O-N 2.78Å; Q154-V156 PolarHBondContact O-N 2.86Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 3.41Å; V156-R159 WeakPolarHBondContact O-CB 3.36Å; V156-R159 PolarHBondContact O-N 3.42Å; V156-M160 PolarHBondContact O-N 3.18Å |
| 157 | F | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | -177.7 | -63.2 | -33.2 | 0 | 0 | 0 | 112.5 | F109 R123 E127 N132 F137 F153 Q154 R159 M160 | F109-F157 HydrophobicContact CZ-CD1 4.14Å; F109-F157 AromaticContact CZ-CE1 3.76Å; F109-F157 HydrophobicContact CZ-CE1 3.76Å; R123-F157 WeakPolarHBondContact CD-O 3.42Å; R123-F157 PolarHBondContact NE-O 3.26Å; E127-F157 HydrophobicContact CB-CB 4.01Å; E127-F157 HydrophobicContact CB-CD1 3.67Å; E127-F157 HydrophobicContact CB-CD2 4.28Å; E127-F157 HydrophobicContact CB-CE1 4.14Å; E127-F157 HydrophobicContact CB-CG 3.75Å; E127-F157 HydrophobicContact CG-CD1 3.61Å; E127-F157 HydrophobicContact CG-CE1 3.62Å; E127-F157 HydrophobicContact CG-CG 4.19Å; E127-F157 HydrophobicContact CG-CZ 4.21Å; E127-F157 WeakPolarHBondContact O-CB 3.45Å; N132-F157 WeakPolarHBondContact ND2-CE2 3.24Å; F137-F157 HydrophobicContact CD1-CE2 4.39Å; F137-F157 AromaticContact CE1-CE2 3.92Å; F137-F157 HydrophobicContact CE1-CE2 3.92Å; F137-F157 HydrophobicContact CE1-CZ 4.08Å; F137-F157 HydrophobicContact CZ-CZ 4.37Å; F153-F157 HydrophobicContact CB-CD2 4.42Å; F153-F157 HydrophobicContact CB-CE2 3.9Å; F153-F157 HydrophobicContact CB-CZ 4.21Å; F153-F157 HydrophobicContact CD1-CE1 4.37Å; F153-F157 HydrophobicContact CD1-CE2 4.48Å; F153-F157 AromaticContact CD1-CZ 3.94Å; F153-F157 HydrophobicContact CD1-CZ 3.94Å; F153-F157 HydrophobicContact CG-CZ 4.48Å; F153-F157 VanDerWaalsContact O-CD2 3.29Å; F153-F157 WeakPolarHBondContact O-CD2 3.43Å; F153-F157 VanDerWaalsContact O-CG 3.24Å; F153-F157 WeakPolarHBondContact O-CG 3.42Å; F153-F157 PolarHBondContact O-N 3.47Å; Q154-F157 PolarHBondContact O-N 2.93Å; Q154-F157 VanDerWaalsContact O-N 3.13Å; F157-R159 PolarHBondContact O-N 2.92Å; F157-M160 HydrophobicContact CD1-SD 3.77Å; F157-M160 WeakPolarHBondContact O-CB 3.27Å; F157-M160 PolarHBondContact O-N 2.87Å; F157-M160 VanDerWaalsContact O-N 3.08Å |
| 158 | D | 97.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.2 | 176.8 | -67.7 | -18 | 0 | 0 | 0 | 114.4 | R123 Q154 V156 P193 V194 | R123-D158 IonicContact CZ-OD1 3.44Å; R123-D158 IonicContact NH1-OD1 3.69Å; R123-D158 IonicContact NH2-OD1 2.69Å; R123-D158 PolarHBondContact NH2-OD1 3.38Å; Q154-D158 WeakPolarHBondContact O-CB 3.31Å; Q154-D158 VanDerWaalsContact O-CG 3.24Å; Q154-D158 PolarHBondContact O-N 3.04Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 3.41Å; D158-P193 HydrophobicContact CB-CB 3.86Å; D158-P193 VanDerWaalsContact O-CA 3.24Å; D158-P193 WeakPolarHBondContact O-CA 3.23Å; D158-V194 PolarHBondContact O-N 3.43Å |
| 159 | R | 98.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 33.3 Ų | 33.3 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -8.2 | -179.2 | -63 | 170.8 | 167.8 | 69.4 | -1.5 | 112.9 | F58 M59 C155 V156 F157 R192 P193 | F58-R159 HydrophobicContact CB-CB 4.34Å; F58-R159 WeakPolarHBondContact CB-O 3.29Å; M59-R159 HydrophobicContact CG-CB 4.23Å; M59-R159 HydrophobicContact CG-CG 4.11Å; M59-R159 HydrophobicContact SD-CB 3.95Å; M59-R159 HydrophobicContact SD-CG 3.71Å; C155-R159 VanDerWaalsContact O-CD 3.27Å; C155-R159 WeakPolarHBondContact O-CD 3.39Å; C155-R159 WeakPolarHBondContact O-CG 3.47Å; C155-R159 PolarHBondContact O-NH1 3.06Å; V156-R159 WeakPolarHBondContact O-CB 3.36Å; V156-R159 PolarHBondContact O-N 3.42Å; F157-R159 PolarHBondContact O-N 2.92Å; R159-R192 VanDerWaalsContact O-CD 3.28Å; R159-R192 WeakPolarHBondContact O-CD 3.44Å; R159-R192 PolarHBondContact O-NH1 3.34Å; R159-P193 HydrophobicContact CG-CB 3.89Å |
| 160 | M | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -64.4 | 144.1 | 179.3 | -70.6 | 178.3 | 75.1 | 0 | 0 | 111.5 | F58 L121 L122 R123 E127 V156 F157 R192 | F58-M160 HydrophobicContact CD2-CG 3.96Å; F58-M160 HydrophobicContact CE1-CG 4.23Å; F58-M160 HydrophobicContact CE2-CG 3.64Å; F58-M160 HydrophobicContact CG-CG 4.4Å; F58-M160 HydrophobicContact CZ-CE 4.24Å; F58-M160 HydrophobicContact CZ-CG 3.78Å; F58-M160 HydrophobicContact CZ-SD 4.49Å; L121-M160 HydrophobicContact CB-CE 4.07Å; L122-M160 VanDerWaalsContact O-CE 3.27Å; L122-M160 WeakPolarHBondContact O-CE 3.47Å; R123-M160 HydrophobicContact CB-CB 3.78Å; R123-M160 HydrophobicContact CG-CB 4.16Å; R123-M160 HydrophobicContact CG-SD 4.49Å; E127-M160 HydrophobicContact CB-SD 4.26Å; E127-M160 HydrophobicContact CG-SD 4.11Å; V156-M160 PolarHBondContact O-N 3.18Å; F157-M160 HydrophobicContact CD1-SD 3.77Å; F157-M160 WeakPolarHBondContact O-CB 3.27Å; F157-M160 PolarHBondContact O-N 2.87Å; F157-M160 VanDerWaalsContact O-N 3.08Å; M160-R192 WeakPolarHBondContact O-CD 3.4Å |
| 161 | P | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -69.4 | 153.6 | 168.4 | 32.6 | -34.7 | 0 | 0 | 0 | 110.2 | P62 M63 V65 L121 L122 R123 | P62-P161 WeakPolarHBondContact O-CB 3.45Å; M63-P161 VanDerWaalsContact O-CB 3.29Å; M63-P161 WeakPolarHBondContact O-CB 3.12Å; V65-P161 HydrophobicContact CG2-CB 3.77Å; V65-P161 HydrophobicContact CG2-CG 3.77Å; L121-P161 WeakPolarHBondContact O-CG 3.48Å; L122-P161 CarbonylContact C-O 3.51Å; L122-P161 WeakPolarHBondContact CA-O 3.47Å; L122-P161 HydrophobicContact CD2-CB 4.42Å; L122-P161 HydrophobicContact CD2-CG 4.17Å; R123-P161 PolarHBondContact N-O 2.82Å | ||
| 162 | V | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -109.6 | -12.6 | -172 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | M63 R123 I187 I190 L202 L205 L206 | M63-V162 HydrophobicContact CE-CB 4.18Å; M63-V162 HydrophobicContact CE-CG1 3.47Å; M63-V162 VanDerWaalsContact CE-CG1 3.47Å; M63-V162 HydrophobicContact CE-CG2 3.67Å; M63-V162 HydrophobicContact CG-CG2 4.16Å; M63-V162 PolarHBondContact O-N 3.4Å; M63-V162 HydrophobicContact SD-CB 4.38Å; M63-V162 HydrophobicContact SD-CG1 4Å; M63-V162 HydrophobicContact SD-CG2 3.86Å; R123-V162 HydrophobicContact CB-CG1 4.1Å; V162-I187 HydrophobicContact CG2-CG2 3.95Å; V162-I190 HydrophobicContact CG2-CD1 4.26Å; V162-L202 HydrophobicContact CB-CD1 4.46Å; V162-L202 HydrophobicContact CG1-CD1 3.65Å; V162-L205 HydrophobicContact CG2-CD1 3.78Å; V162-L206 HydrophobicContact CB-CD2 4.42Å; V162-L206 HydrophobicContact CG1-CD1 4.46Å; V162-L206 HydrophobicContact CG1-CD2 4.43Å | ||
| 163 | S | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 159.1 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 112 | L64 V65 C172 | L64-S163 WeakPolarHBondContact CA-O 3.45Å; V65-S163 PolarHBondContact N-O 3.47Å; S163-C172 CarbonylContact C-O 3.58Å; S163-C172 WeakPolarHBondContact CA-O 3.42Å; S163-C172 VanDerWaalsContact CB-O 3.27Å; S163-C172 WeakPolarHBondContact CB-O 3.11Å |
| 164 | A | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V65 L122 L171 C172 I227 | V65-A164 HydrophobicContact CB-CB 4.03Å; V65-A164 HydrophobicContact CG1-CB 4.24Å; V65-A164 CarbonylContact O-C 3.4Å; V65-A164 WeakPolarHBondContact O-CA 3.32Å; V65-A164 WeakPolarHBondContact O-CB 3.32Å; L122-A164 HydrophobicContact CD1-CB 4.09Å; L122-A164 HydrophobicContact CD2-CB 4.24Å; A164-L171 CarbonylContact O-C 3.49Å; A164-L171 WeakPolarHBondContact O-CA 3.16Å; A164-C172 HydrophobicContact CB-CB 4.41Å; A164-C172 PolarHBondContact N-O 3.28Å; A164-C172 PolarHBondContact O-N 2.92Å; A164-I227 HydrophobicContact CB-CD1 3.31Å |
| 165 | L | 94.2 | Very high | 93.9 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111.5 | 175.2 | -178.2 | 64.9 | 0 | 0 | 0 | 109.3 | L64 V65 E66 V67 I170 F184 | L64-L165 HydrophobicContact CD1-CB 4.12Å; L64-L165 HydrophobicContact CD2-CB 4.43Å; L64-L165 HydrophobicContact CG-CB 4.35Å; V65-L165 PolarHBondContact O-N 3.13Å; E66-L165 HydrophobicContact CG-CB 4.35Å; V67-L165 PolarHBondContact N-O 3.31Å; L165-I170 WeakPolarHBondContact CA-O 3.22Å; L165-F184 HydrophobicContact CD1-CD2 4.36Å; L165-F184 HydrophobicContact CD1-CE2 3.64Å; L165-F184 HydrophobicContact CD1-CZ 4.02Å; L165-F184 HydrophobicContact CD2-CD2 3.67Å; L165-F184 HydrophobicContact CD2-CE2 3.7Å; L165-F184 HydrophobicContact CG-CE2 4.33Å |
| 166 | V | 91.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.055 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.5 | -178.7 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | V67 I71 I73 G168 K169 I170 | V67-V166 HydrophobicContact CG2-CB 4.45Å; V67-V166 HydrophobicContact CG2-CG2 4.01Å; V67-V166 CarbonylContact O-C 3.6Å; V67-V166 VanDerWaalsContact O-CA 3.29Å; V67-V166 WeakPolarHBondContact O-CA 3.39Å; I71-V166 HydrophobicContact CD1-CB 4.07Å; I71-V166 HydrophobicContact CD1-CG1 3.41Å; I71-V166 VanDerWaalsContact CD1-CG1 3.41Å; I71-V166 HydrophobicContact CD1-CG2 3.47Å; I71-V166 VanDerWaalsContact CD1-CG2 3.47Å; I71-V166 HydrophobicContact CG1-CG1 4.1Å; I73-V166 HydrophobicContact CD1-CG2 4.16Å; V166-G168 PolarHBondContact O-N 3.14Å; V166-K169 PolarHBondContact O-N 2.95Å; V166-I170 HydrophobicContact CB-CB 4.13Å; V166-I170 HydrophobicContact CG2-CB 4.48Å; V166-I170 PolarHBondContact N-O 3.36Å; V166-I170 PolarHBondContact O-N 3.31Å; V166-I170 VanDerWaalsContact O-N 3.08Å |
| 167 | A | 92.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 31.4 Ų | 31.4 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 28.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V67 P69 K169 | V67-A167 PolarHBondContact O-N 3.08Å; P69-A167 HydrophobicContact CG-CB 4.41Å; A167-K169 WeakPolarHBondContact O-CG 3.22Å; A167-K169 PolarHBondContact O-N 2.66Å |
| 168 | G | 92.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 58% | 0.577 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 13.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V166 | V166-G168 PolarHBondContact O-N 3.14Š|
| 169 | K | 90.7 | Very high | 92.6 | Very high | 181 Ų | 181 | 40 Ų | 40 | 79% | 0.787 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | -40.1 | -166.6 | -71.6 | 173.7 | -173.5 | 178.3 | 0 | 115.7 | V166 A167 | V166-K169 PolarHBondContact O-N 2.95Å; A167-K169 WeakPolarHBondContact O-CG 3.22Å; A167-K169 PolarHBondContact O-N 2.66Å |
| 170 | I | 90.5 | Very high | 92.5 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.1 | -176.4 | -51.1 | 172 | 0 | 0 | 0 | 107.8 | L165 V166 | L165-I170 WeakPolarHBondContact CA-O 3.22Å; V166-I170 HydrophobicContact CB-CB 4.13Å; V166-I170 HydrophobicContact CG2-CB 4.48Å; V166-I170 PolarHBondContact N-O 3.36Å; V166-I170 PolarHBondContact O-N 3.31Å; V166-I170 VanDerWaalsContact O-N 3.08Å |
| 171 | L | 91.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.4 | 170.6 | -172.6 | 69.7 | 0 | 0 | 0 | 108.9 | L64 A164 M173 L177 L181 F184 I187 | L64-L171 HydrophobicContact CD1-CD1 3.6Å; A164-L171 CarbonylContact O-C 3.49Å; A164-L171 WeakPolarHBondContact O-CA 3.16Å; L171-M173 HydrophobicContact CD2-CE 3.51Å; L171-M173 HydrophobicContact CD2-SD 4.41Å; L171-M173 HydrophobicContact CG-CE 4.06Å; L171-M173 HydrophobicContact CG-SD 4.38Å; L171-L177 HydrophobicContact CD2-CD2 3.91Å; L171-L181 HydrophobicContact CD2-CD2 4.28Å; L171-F184 HydrophobicContact CD1-CE1 4.4Å; L171-F184 HydrophobicContact CD2-CD1 4.46Å; L171-F184 HydrophobicContact CD2-CE1 3.94Å; L171-I187 HydrophobicContact CD1-CD1 4.27Å; L171-I187 HydrophobicContact CD2-CD1 4.18Å |
| 172 | C | 90.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 108.7 | L122 S163 A164 F224 | L122-C172 HydrophobicContact CD1-CB 4.35Å; S163-C172 CarbonylContact C-O 3.58Å; S163-C172 WeakPolarHBondContact CA-O 3.42Å; S163-C172 VanDerWaalsContact CB-O 3.27Å; S163-C172 WeakPolarHBondContact CB-O 3.11Å; A164-C172 HydrophobicContact CB-CB 4.41Å; A164-C172 PolarHBondContact N-O 3.28Å; A164-C172 PolarHBondContact O-N 2.92Å; C172-F224 HydrophobicContact CB-CB 3.97Å; C172-F224 HydrophobicContact CB-CD2 3.56Å; C172-F224 HydrophobicContact CB-CE2 4.11Å; C172-F224 HydrophobicContact CB-CG 3.87Å |
| 173 | M | 90.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -144.7 | 179.8 | 174.5 | 61.4 | -92.5 | -82 | 0 | 0 | 109 | L171 L177 L205 F224 | L171-M173 HydrophobicContact CD2-CE 3.51Å; L171-M173 HydrophobicContact CD2-SD 4.41Å; L171-M173 HydrophobicContact CG-CE 4.06Å; L171-M173 HydrophobicContact CG-SD 4.38Å; M173-L177 HydrophobicContact CE-CD2 3.74Å; M173-L177 HydrophobicContact CE-CG 4.05Å; M173-L205 HydrophobicContact CB-CD2 4.28Å; M173-L205 HydrophobicContact CE-CD2 3.39Å; M173-L205 HydrophobicContact CG-CD2 4.48Å; M173-F224 WeakPolarHBondContact O-CB 3.4Å; M173-F224 WeakPolarHBondContact O-CD2 3.41Å; M173-F224 PolarHBondContact O-N 3.03Å | ||
| 174 | H | 88.3 | Confident | 92.4 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -82.3 | -52.4 | 175.6 | -177.9 | 91.4 | 0 | 0 | 0 | 112.3 | D76 G124 N125 L205 L206 N223 | D76-H174 IonicContact OD1-CE1 2.75Å; D76-H174 IonicContact OD2-CE1 2.77Å; D76-H174 PolarHBondContact OD2-CE1 2.84Å; D76-H174 VanDerWaalsContact OD2-CE1 3.23Å; G124-H174 VanDerWaalsContact CA-CG 3.4Å; G124-H174 WeakPolarHBondContact CA-ND1 3.37Å; N125-H174 VanDerWaalsContact CG-NE2 3.3Å; N125-H174 PolarHBondContact ND2-NE2 3.34Å; N125-H174 PolarHBondContact OD1-NE2 3.11Å; H174-L205 PolarHBondContact N-O 2.84Å; H174-L206 HydrophobicContact CB-CD2 4.13Å; H174-L206 PolarHBondContact CD2-O 3.01Å; H174-N223 PolarHBondContact O-OD1 3.07Å |
| 175 | G | 88.9 | Confident | 92.5 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -90.2 | -107.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L205 D209 | G175-L205 PolarHBondContact N-O 2.78Å; G175-D209 WeakPolarHBondContact CA-OD1 3.45Å |
| 176 | G | 88.9 | Confident | 92.7 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | trans | -154.4 | -167.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D204 L205 A208 | G176-D204 PolarHBondContact N-O 2.88Å; G176-D204 CarbonylContact O-C 3.45Å; G176-L205 WeakPolarHBondContact O-CA 3.33Å; G176-A208 WeakPolarHBondContact CA-O 3.39Å; G176-A208 PolarHBondContact N-O 3.21Å | ||
| 177 | L | 90.5 | Very high | 93 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 53% | 0.534 | 34% | 0.339 | S | S | . | . | trans | -75.6 | 126.6 | -174.7 | -71.2 | 164.2 | 0 | 0 | 0 | 111 | L171 M173 L181 | L171-L177 HydrophobicContact CD2-CD2 3.91Å; M173-L177 HydrophobicContact CE-CD2 3.74Å; M173-L177 HydrophobicContact CE-CG 4.05Å; L177-L181 HydrophobicContact CD2-CD2 3.79Å | ||
| 178 | S | 93 | Very high | 93.3 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | trans | -66.1 | 142.9 | 166.7 | -173 | 0 | 0 | 0 | 0 | 111.2 | E180 L181 D204 | S178-E180 PolarHBondContact O-N 3.02Å; S178-E180 PolarHBondContact OG-N 3.28Å; S178-E180 VanDerWaalsContact OG-N 3.13Å; S178-L181 WeakPolarHBondContact O-CB 3.47Å; S178-L181 PolarHBondContact O-N 3.25Å; S178-D204 WeakPolarHBondContact CA-OD2 3.45Å; S178-D204 WeakPolarHBondContact CB-OD2 3.46Å; S178-D204 PolarHBondContact OG-OD2 2.91Å | ||
| 179 | Q | 93 | Very high | 93.5 | Very high | 205 Ų | 205 | 71 Ų | 71 | 96% | 0.958 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.9 | 169.2 | -61.5 | -177.6 | 16 | 0 | 0 | 112.2 | L181 | Q179-L181 VanDerWaalsContact C-N 3.33Š|
| 180 | E | 94.2 | Very high | 93.9 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.5 | 176.4 | -58.5 | 176 | -177.8 | 0 | 0 | 112.9 | S178 E182 Q186 G200 I201 | S178-E180 PolarHBondContact O-N 3.02Å; S178-E180 PolarHBondContact OG-N 3.28Å; S178-E180 VanDerWaalsContact OG-N 3.13Å; E180-E182 PolarHBondContact O-N 3.38Å; E180-Q186 PolarHBondContact O-NE2 3.47Å; E180-Q186 PolarHBondContact O-OE1 3.04Å; E180-G200 WeakPolarHBondContact OE2-CA 3.46Å; E180-I201 HydrophobicContact CB-CD1 4.2Å; E180-I201 HydrophobicContact CB-CG1 3.77Å |
| 181 | L | 95.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | trans | -85.7 | 93.6 | -176.6 | -175.3 | 68.1 | 0 | 0 | 0 | 111.8 | L171 L177 S178 Q179 S183 Q186 I187 I201 | L171-L181 HydrophobicContact CD2-CD2 4.28Å; L177-L181 HydrophobicContact CD2-CD2 3.79Å; S178-L181 WeakPolarHBondContact O-CB 3.47Å; S178-L181 PolarHBondContact O-N 3.25Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; L181-S183 VanDerWaalsContact CD1-O 3.31Å; L181-S183 WeakPolarHBondContact CD1-O 3.41Å; L181-Q186 HydrophobicContact CD1-CB 4.28Å; L181-I187 HydrophobicContact CD1-CD1 4.01Å; L181-I187 HydrophobicContact CD1-CG1 3.67Å; L181-I187 HydrophobicContact CD2-CD1 4.06Å; L181-I201 HydrophobicContact CD1-CD1 4.5Å; L181-I201 HydrophobicContact CD1-CG2 4.39Å | ||
| 182 | E | 96.1 | Very high | 94.4 | Very high | 187 Ų | 187 | 64 Ų | 64 | 87% | 0.874 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -91.8 | -27.4 | 173.8 | -58.9 | -176.1 | 165.6 | 0 | 0 | 112.6 | E180 | E180-E182 PolarHBondContact O-N 3.38Š|
| 183 | S | 96.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | trans | -146.6 | 141 | -178.2 | 176.3 | 0 | 0 | 0 | 0 | 112.5 | L181 D185 Q186 | L181-S183 VanDerWaalsContact CD1-O 3.31Å; L181-S183 WeakPolarHBondContact CD1-O 3.41Å; S183-D185 PolarHBondContact O-N 3.15Å; S183-D185 VanDerWaalsContact O-N 3.08Å; S183-D185 PolarHBondContact OG-N 2.89Å; S183-D185 VanDerWaalsContact OG-N 3.11Å; S183-Q186 WeakPolarHBondContact O-CB 3.39Å; S183-Q186 PolarHBondContact O-N 3.47Å; S183-Q186 PolarHBondContact O-OE1 3.37Å | ||
| 184 | F | 96.7 | Very high | 95.1 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.5 | -20.7 | 170.4 | -64.3 | -20 | 0 | 0 | 0 | 113.7 | L64 L165 L171 Q186 I187 R188 | L64-F184 HydrophobicContact CD2-CB 3.73Å; L64-F184 HydrophobicContact CD2-CG 4.22Å; L165-F184 HydrophobicContact CD1-CD2 4.36Å; L165-F184 HydrophobicContact CD1-CE2 3.64Å; L165-F184 HydrophobicContact CD1-CZ 4.02Å; L165-F184 HydrophobicContact CD2-CD2 3.67Å; L165-F184 HydrophobicContact CD2-CE2 3.7Å; L165-F184 HydrophobicContact CG-CE2 4.33Å; L171-F184 HydrophobicContact CD1-CE1 4.4Å; L171-F184 HydrophobicContact CD2-CD1 4.46Å; L171-F184 HydrophobicContact CD2-CE1 3.94Å; F184-Q186 VanDerWaalsContact C-N 3.25Å; F184-Q186 PolarHBondContact O-N 3.26Å; F184-I187 WeakPolarHBondContact O-CB 3.34Å; F184-I187 PolarHBondContact O-N 2.69Å; F184-I187 VanDerWaalsContact O-N 3.15Å; F184-R188 PolarHBondContact O-N 3.3Å; F184-R188 VanDerWaalsContact O-N 3.1Å |
| 185 | D | 97.5 | Very high | 95.4 | Very high | 77 Ų | 77 | 71.9 Ų | 71.9 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 173.5 | -67.7 | -34.8 | 0 | 0 | 0 | 112.9 | S183 I187 R188 Q189 | S183-D185 PolarHBondContact O-N 3.15Å; S183-D185 VanDerWaalsContact O-N 3.08Å; S183-D185 PolarHBondContact OG-N 2.89Å; S183-D185 VanDerWaalsContact OG-N 3.11Å; D185-I187 VanDerWaalsContact C-N 3.29Å; D185-I187 PolarHBondContact O-N 2.92Å; D185-R188 PolarHBondContact O-N 2.97Å; D185-R188 IonicContact OD1-CZ 2.8Å; D185-R188 IonicContact OD1-NE 3.41Å; D185-R188 IonicContact OD1-NH1 2.94Å; D185-R188 PolarHBondContact OD1-NH1 3.02Å; D185-Q189 WeakPolarHBondContact O-CB 3.46Å; D185-Q189 WeakPolarHBondContact O-CG 3.3Å; D185-Q189 PolarHBondContact O-N 3.09Å |
| 186 | Q | 98.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 172.4 | -65.2 | 166.1 | -73.6 | 0 | 0 | 110.6 | E180 L181 S183 F184 Q189 I190 I201 | E180-Q186 PolarHBondContact O-NE2 3.47Å; E180-Q186 PolarHBondContact O-OE1 3.04Å; L181-Q186 HydrophobicContact CD1-CB 4.28Å; S183-Q186 WeakPolarHBondContact O-CB 3.39Å; S183-Q186 PolarHBondContact O-N 3.47Å; S183-Q186 PolarHBondContact O-OE1 3.37Å; F184-Q186 VanDerWaalsContact C-N 3.25Å; F184-Q186 PolarHBondContact O-N 3.26Å; Q186-Q189 PolarHBondContact O-N 3.18Å; Q186-I190 WeakPolarHBondContact O-CG1 3.25Å; Q186-I190 PolarHBondContact O-N 3.41Å; Q186-I201 HydrophobicContact CB-CD1 3.72Å; Q186-I201 HydrophobicContact CG-CD1 4.21Å |
| 187 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 174.2 | -48.6 | -177.8 | 0 | 0 | 0 | 110.5 | M63 L64 V162 L171 L181 F184 D185 Q189 I190 L205 | M63-I187 WeakPolarHBondContact CB-O 3.43Å; M63-I187 HydrophobicContact CG-CG2 4.45Å; M63-I187 WeakPolarHBondContact CG-O 3.28Å; L64-I187 HydrophobicContact CB-CB 4.36Å; L64-I187 HydrophobicContact CB-CG2 4.02Å; V162-I187 HydrophobicContact CG2-CG2 3.95Å; L171-I187 HydrophobicContact CD1-CD1 4.27Å; L171-I187 HydrophobicContact CD2-CD1 4.18Å; L181-I187 HydrophobicContact CD1-CD1 4.01Å; L181-I187 HydrophobicContact CD1-CG1 3.67Å; L181-I187 HydrophobicContact CD2-CD1 4.06Å; F184-I187 WeakPolarHBondContact O-CB 3.34Å; F184-I187 PolarHBondContact O-N 2.69Å; F184-I187 VanDerWaalsContact O-N 3.15Å; D185-I187 VanDerWaalsContact C-N 3.29Å; D185-I187 PolarHBondContact O-N 2.92Å; I187-Q189 PolarHBondContact O-N 3.44Å; I187-I190 HydrophobicContact CG2-CD1 4.34Å; I187-I190 PolarHBondContact O-N 3.06Å; I187-L205 HydrophobicContact CD1-CD1 4.2Å; I187-L205 HydrophobicContact CD1-CD2 4.3Å; I187-L205 HydrophobicContact CG1-CD1 4.15Å; I187-L205 HydrophobicContact CG2-CD1 4.14Å |
| 188 | R | 97.8 | Very high | 96 | Very high | 89 Ų | 89 | 78 Ų | 78 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -29.2 | 177.4 | -66.2 | -177.1 | -175 | 100.6 | 2.1 | 112.8 | L64 E66 F184 D185 | L64-R188 HydrophobicContact CB-CG 3.94Å; L64-R188 HydrophobicContact CD2-CG 4.25Å; E66-R188 VanDerWaalsContact CD-NH2 3.32Å; E66-R188 IonicContact OE1-CZ 3.69Å; E66-R188 VanDerWaalsContact OE1-CZ 3.29Å; E66-R188 IonicContact OE1-NE 3.29Å; E66-R188 PolarHBondContact OE1-NE 3.18Å; E66-R188 IonicContact OE1-NH2 3.98Å; E66-R188 PolarHBondContact OE1-NH2 3.3Å; E66-R188 IonicContact OE2-NH2 2.71Å; F184-R188 PolarHBondContact O-N 3.3Å; F184-R188 VanDerWaalsContact O-N 3.1Å; D185-R188 PolarHBondContact O-N 2.97Å; D185-R188 IonicContact OD1-CZ 2.8Å; D185-R188 IonicContact OD1-NE 3.41Å; D185-R188 IonicContact OD1-NH1 2.94Å; D185-R188 PolarHBondContact OD1-NH1 3.02Å |
| 189 | Q | 97.5 | Very high | 96 | Very high | 153 Ų | 153 | 82.1 Ų | 82.1 | 72% | 0.715 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -90.2 | -7.1 | -177.4 | -71.4 | 172.8 | 12.8 | 0 | 0 | 114.7 | D185 Q186 I187 | D185-Q189 WeakPolarHBondContact O-CB 3.46Å; D185-Q189 WeakPolarHBondContact O-CG 3.3Å; D185-Q189 PolarHBondContact O-N 3.09Å; Q186-Q189 PolarHBondContact O-N 3.18Å; I187-Q189 PolarHBondContact O-N 3.44Å |
| 190 | I | 97.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -60.5 | 122.6 | 175.1 | -54.6 | 170.8 | 0 | 0 | 0 | 108.4 | M63 V162 Q186 I187 V194 I201 L202 L205 | M63-I190 HydrophobicContact CE-CB 3.71Å; M63-I190 HydrophobicContact CE-CD1 4.21Å; M63-I190 HydrophobicContact CE-CG2 3.51Å; M63-I190 HydrophobicContact CG-CB 4.1Å; V162-I190 HydrophobicContact CG2-CD1 4.26Å; Q186-I190 WeakPolarHBondContact O-CG1 3.25Å; Q186-I190 PolarHBondContact O-N 3.41Å; I187-I190 HydrophobicContact CG2-CD1 4.34Å; I187-I190 PolarHBondContact O-N 3.06Å; I190-V194 HydrophobicContact CG2-CG1 4.33Å; I190-I201 HydrophobicContact CD1-CG2 4.38Å; I190-L202 HydrophobicContact CD1-CB 4.26Å; I190-L202 HydrophobicContact CD1-CD1 4.5Å; I190-L202 HydrophobicContact CG2-CB 4.38Å; I190-L202 HydrophobicContact CG2-CD1 4.45Å; I190-L202 HydrophobicContact CG2-CD2 3.96Å; I190-L205 HydrophobicContact CD1-CD1 4.18Å |
| 191 | P | 96.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | trans | -66.2 | 155.2 | -176.2 | 28.3 | -35.9 | 0 | 0 | 0 | 111.1 | V194 | P191-V194 HydrophobicContact CG-CG2 4.45Å; P191-V194 VanDerWaalsContact O-CB 3.27Å; P191-V194 WeakPolarHBondContact O-CB 3.3Å; P191-V194 WeakPolarHBondContact O-CG1 3.24Å | ||
| 192 | R | 96.9 | Very high | 96.4 | Very high | 45 Ų | 45 | 67.9 Ų | 67.9 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -140.6 | 142.6 | 170.6 | -75.7 | -178 | -71.7 | 144.5 | 9.6 | 110.8 | F58 M59 Q61 M63 R159 M160 V194 | F58-R192 PolarHBondContact O-NH1 3.12Å; M59-R192 HydrophobicContact SD-CB 4.06Å; Q61-R192 PolarHBondContact O-NH1 3.25Å; Q61-R192 PolarHBondContact O-NH2 3.49Å; M63-R192 HydrophobicContact CE-CG 4.09Å; M63-R192 WeakPolarHBondContact SD-CD 3.45Å; M63-R192 HydrophobicContact SD-CG 4.05Å; M63-R192 PolarHBondContact SD-NE 3.36Å; M63-R192 VanDerWaalsContact SD-NE 3.45Å; R159-R192 VanDerWaalsContact O-CD 3.28Å; R159-R192 WeakPolarHBondContact O-CD 3.44Å; R159-R192 PolarHBondContact O-NH1 3.34Å; M160-R192 WeakPolarHBondContact O-CD 3.4Å; R192-V194 HydrophobicContact CG-CG1 4.37Å |
| 193 | P | 97.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | S | Bend | cis | -66.6 | 150.8 | -3.3 | 30.3 | -37.1 | 0 | 0 | 0 | 113.1 | D158 R159 | D158-P193 HydrophobicContact CB-CB 3.86Å; D158-P193 VanDerWaalsContact O-CA 3.24Å; D158-P193 WeakPolarHBondContact O-CA 3.23Å; R159-P193 HydrophobicContact CG-CB 3.89Å |
| 194 | V | 97.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | trans | -151 | 136.7 | 179.2 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | R123 D158 I190 P191 R192 L202 | R123-V194 PolarHBondContact NH1-O 3.33Å; D158-V194 PolarHBondContact O-N 3.43Å; I190-V194 HydrophobicContact CG2-CG1 4.33Å; P191-V194 HydrophobicContact CG-CG2 4.45Å; P191-V194 VanDerWaalsContact O-CB 3.27Å; P191-V194 WeakPolarHBondContact O-CB 3.3Å; P191-V194 WeakPolarHBondContact O-CG1 3.24Å; R192-V194 HydrophobicContact CG-CG1 4.37Å; V194-L202 HydrophobicContact CB-CD2 4.47Å; V194-L202 HydrophobicContact CG1-CD2 3.62Å; V194-L202 HydrophobicContact CG2-CD2 3.99Å | ||
| 195 | D | 95.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 158.5 | 168.3 | -171.2 | 21.8 | 0 | 0 | 0 | 109.9 | P197 | D195-P197 WeakPolarHBondContact O-CD 3.22Š|
| 196 | I | 93.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 118.9 | -174.3 | -53.7 | -179.7 | 0 | 0 | 0 | 110.1 | S128 L206 | S128-I196 VanDerWaalsContact CB-CD1 3.42Å; I196-L206 HydrophobicContact CD1-CD1 3.47Å; I196-L206 VanDerWaalsContact CD1-CD1 3.47Å; I196-L206 HydrophobicContact CG1-CD1 3.92Å; I196-L206 HydrophobicContact CG2-CD1 4.44Å |
| 197 | P | 94.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 159.7 | 174.7 | 32 | -36.3 | 0 | 0 | 0 | 110.8 | D195 C199 L202 C203 | D195-P197 WeakPolarHBondContact O-CD 3.22Å; P197-C199 WeakPolarHBondContact CG-O 3.49Å; P197-C199 PolarHBondContact O-N 3.24Å; P197-L202 HydrophobicContact CG-CB 4.11Å; P197-L202 HydrophobicContact CG-CD2 4.34Å; P197-L202 HydrophobicContact CG-CG 4.41Å; P197-C203 WeakPolarHBondContact O-CB 2.95Å |
| 198 | Q | 92.3 | Very high | 95.2 | Very high | 180 Ų | 180 | 56.2 Ų | 56.2 | 84% | 0.841 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -74 | -6.2 | 179.6 | -59.8 | -63.5 | -61 | 0 | 0 | 114.1 | ||
| 199 | C | 93.8 | Very high | 94.4 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -161.1 | 168.9 | -178.6 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | P197 | P197-C199 WeakPolarHBondContact CG-O 3.49Å; P197-C199 PolarHBondContact O-N 3.24Å |
| 200 | G | 95 | Very high | 93.4 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 83.8 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E180 L202 C203 D204 | E180-G200 WeakPolarHBondContact OE2-CA 3.46Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-L202 PolarHBondContact O-N 3.03Å; G200-C203 WeakPolarHBondContact O-CA 3.22Å; G200-C203 VanDerWaalsContact O-CB 3.27Å; G200-C203 WeakPolarHBondContact O-CB 3.37Å; G200-C203 PolarHBondContact O-N 2.94Å; G200-D204 PolarHBondContact O-N 2.71Å; G200-D204 VanDerWaalsContact O-N 3.17Å |
| 201 | I | 96.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -45.1 | -47.3 | -167.2 | -59 | 174.3 | 0 | 0 | 0 | 114.5 | E180 L181 Q186 I190 C203 D204 L205 | E180-I201 HydrophobicContact CB-CD1 4.2Å; E180-I201 HydrophobicContact CB-CG1 3.77Å; L181-I201 HydrophobicContact CD1-CD1 4.5Å; L181-I201 HydrophobicContact CD1-CG2 4.39Å; Q186-I201 HydrophobicContact CB-CD1 3.72Å; Q186-I201 HydrophobicContact CG-CD1 4.21Å; I190-I201 HydrophobicContact CD1-CG2 4.38Å; I201-C203 VanDerWaalsContact C-N 3.31Å; I201-C203 PolarHBondContact O-N 2.79Å; I201-D204 PolarHBondContact O-N 3.3Å; I201-L205 HydrophobicContact CG2-CD1 3.79Å; I201-L205 HydrophobicContact CG2-CG 4.08Å; I201-L205 WeakPolarHBondContact O-CB 3.43Å; I201-L205 WeakPolarHBondContact O-CG 3.33Å; I201-L205 PolarHBondContact O-N 3.48Å |
| 202 | L | 97 | Very high | 90.7 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -33.5 | -179.5 | 176.8 | 58 | 0 | 0 | 0 | 113.1 | M63 V162 I190 V194 P197 G200 L206 | M63-L202 HydrophobicContact CE-CD1 4.24Å; V162-L202 HydrophobicContact CB-CD1 4.46Å; V162-L202 HydrophobicContact CG1-CD1 3.65Å; I190-L202 HydrophobicContact CD1-CB 4.26Å; I190-L202 HydrophobicContact CD1-CD1 4.5Å; I190-L202 HydrophobicContact CG2-CB 4.38Å; I190-L202 HydrophobicContact CG2-CD1 4.45Å; I190-L202 HydrophobicContact CG2-CD2 3.96Å; V194-L202 HydrophobicContact CB-CD2 4.47Å; V194-L202 HydrophobicContact CG1-CD2 3.62Å; V194-L202 HydrophobicContact CG2-CD2 3.99Å; P197-L202 HydrophobicContact CG-CB 4.11Å; P197-L202 HydrophobicContact CG-CD2 4.34Å; P197-L202 HydrophobicContact CG-CG 4.41Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-L202 PolarHBondContact O-N 3.03Å; L202-L206 HydrophobicContact CD1-CD1 3.95Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å |
| 203 | C | 95.7 | Very high | 89.2 | Confident | 17 Ų | 17 | 62 Ų | 62 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.4 | -53.1 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | P197 G200 I201 L205 L206 W207 | P197-C203 WeakPolarHBondContact O-CB 2.95Å; G200-C203 WeakPolarHBondContact O-CA 3.22Å; G200-C203 VanDerWaalsContact O-CB 3.27Å; G200-C203 WeakPolarHBondContact O-CB 3.37Å; G200-C203 PolarHBondContact O-N 2.94Å; I201-C203 VanDerWaalsContact C-N 3.31Å; I201-C203 PolarHBondContact O-N 2.79Å; C203-L205 PolarHBondContact O-N 3.44Å; C203-L206 CarbonylContact O-C 3.38Å; C203-L206 WeakPolarHBondContact O-CA 3.26Å; C203-L206 PolarHBondContact O-N 2.74Å; C203-W207 WeakPolarHBondContact O-CB 3.34Å; C203-W207 VanDerWaalsContact O-CD1 3.31Å; C203-W207 PolarHBondContact O-N 2.92Å |
| 204 | D | 95.2 | Very high | 87.3 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.219 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | -173.9 | -58.8 | -17.3 | 0 | 0 | 0 | 112.6 | G176 S178 G200 I201 L206 W207 A208 | G176-D204 PolarHBondContact N-O 2.88Å; G176-D204 CarbonylContact O-C 3.45Å; S178-D204 WeakPolarHBondContact CA-OD2 3.45Å; S178-D204 WeakPolarHBondContact CB-OD2 3.46Å; S178-D204 PolarHBondContact OG-OD2 2.91Å; G200-D204 PolarHBondContact O-N 2.71Å; G200-D204 VanDerWaalsContact O-N 3.17Å; I201-D204 PolarHBondContact O-N 3.3Å; D204-L206 PolarHBondContact O-N 2.93Å; D204-W207 PolarHBondContact O-N 3.16Å; D204-A208 HydrophobicContact CB-CB 3.86Å; D204-A208 VanDerWaalsContact O-CB 3.22Å; D204-A208 WeakPolarHBondContact O-CB 3.43Å; D204-A208 PolarHBondContact O-N 2.83Å |
| 205 | L | 94.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.1 | -19.2 | 175 | -70.2 | 176.3 | 0 | 0 | 0 | 113.7 | V162 M173 H174 G175 G176 I187 I190 I201 C203 | V162-L205 HydrophobicContact CG2-CD1 3.78Å; M173-L205 HydrophobicContact CB-CD2 4.28Å; M173-L205 HydrophobicContact CE-CD2 3.39Å; M173-L205 HydrophobicContact CG-CD2 4.48Å; H174-L205 PolarHBondContact N-O 2.84Å; G175-L205 PolarHBondContact N-O 2.78Å; G176-L205 WeakPolarHBondContact O-CA 3.33Å; I187-L205 HydrophobicContact CD1-CD1 4.2Å; I187-L205 HydrophobicContact CD1-CD2 4.3Å; I187-L205 HydrophobicContact CG1-CD1 4.15Å; I187-L205 HydrophobicContact CG2-CD1 4.14Å; I190-L205 HydrophobicContact CD1-CD1 4.18Å; I201-L205 HydrophobicContact CG2-CD1 3.79Å; I201-L205 HydrophobicContact CG2-CG 4.08Å; I201-L205 WeakPolarHBondContact O-CB 3.43Å; I201-L205 WeakPolarHBondContact O-CG 3.33Å; I201-L205 PolarHBondContact O-N 3.48Å; C203-L205 PolarHBondContact O-N 3.44Å |
| 206 | L | 92.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -115.8 | -8.2 | -176.8 | -56.7 | 179.1 | 0 | 0 | 0 | 113.5 | R123 N125 V162 H174 I196 L202 C203 D204 | R123-L206 HydrophobicContact CB-CD2 4.43Å; R123-L206 WeakPolarHBondContact O-CD2 3.31Å; N125-L206 WeakPolarHBondContact CB-O 3.49Å; V162-L206 HydrophobicContact CB-CD2 4.42Å; V162-L206 HydrophobicContact CG1-CD1 4.46Å; V162-L206 HydrophobicContact CG1-CD2 4.43Å; H174-L206 HydrophobicContact CB-CD2 4.13Å; H174-L206 PolarHBondContact CD2-O 3.01Å; I196-L206 HydrophobicContact CD1-CD1 3.47Å; I196-L206 VanDerWaalsContact CD1-CD1 3.47Å; I196-L206 HydrophobicContact CG1-CD1 3.92Å; I196-L206 HydrophobicContact CG2-CD1 4.44Å; L202-L206 HydrophobicContact CD1-CD1 3.95Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; C203-L206 CarbonylContact O-C 3.38Å; C203-L206 WeakPolarHBondContact O-CA 3.26Å; C203-L206 PolarHBondContact O-N 2.74Å; D204-L206 PolarHBondContact O-N 2.93Å |
| 207 | W | 91.1 | Very high | 79.7 | Confident | 109 Ų | 109 | 73.4 Ų | 73.4 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -141 | -17 | -171.1 | -71 | 105.5 | 0 | 0 | 0 | 115.9 | N125 I131 C203 D204 D209 | N125-W207 HydrophobicContact CB-CD2 3.93Å; N125-W207 HydrophobicContact CB-CE3 4.21Å; N125-W207 HydrophobicContact CB-CH2 3.84Å; N125-W207 HydrophobicContact CB-CZ2 3.54Å; N125-W207 HydrophobicContact CB-CZ3 4.17Å; I131-W207 HydrophobicContact CD1-CH2 3.47Å; I131-W207 VanDerWaalsContact CD1-CH2 3.47Å; I131-W207 HydrophobicContact CD1-CZ2 3.68Å; I131-W207 HydrophobicContact CG1-CH2 3.67Å; I131-W207 HydrophobicContact CG1-CZ2 3.56Å; C203-W207 WeakPolarHBondContact O-CB 3.34Å; C203-W207 VanDerWaalsContact O-CD1 3.31Å; C203-W207 PolarHBondContact O-N 2.92Å; D204-W207 PolarHBondContact O-N 3.16Å; W207-D209 PolarHBondContact O-N 3.35Å |
| 208 | A | 89 | Confident | 76.7 | Confident | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 44% | 0.444 | S | S | . | . | trans | -85.9 | 56.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G176 D204 | G176-A208 WeakPolarHBondContact CA-O 3.39Å; G176-A208 PolarHBondContact N-O 3.21Å; D204-A208 HydrophobicContact CB-CB 3.86Å; D204-A208 VanDerWaalsContact O-CB 3.22Å; D204-A208 WeakPolarHBondContact O-CB 3.43Å; D204-A208 PolarHBondContact O-N 2.83Å | ||
| 209 | D | 82.4 | Confident | 74 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -52 | 136.6 | 180 | -57.6 | -17 | 0 | 0 | 0 | 111 | G175 W207 D211 | G175-D209 WeakPolarHBondContact CA-OD1 3.45Å; W207-D209 PolarHBondContact O-N 3.35Å; D209-D211 PolarHBondContact O-N 3.17Å |
| 210 | P | 75.5 | Confident | 71.1 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 129.2 | 179.3 | 26.9 | -34.6 | 0 | 0 | 0 | 111.3 | P212 F219 | P210-P212 VanDerWaalsContact O-CD 3.25Å; P210-P212 WeakPolarHBondContact O-CD 3.47Å; P210-F219 HydrophobicContact CB-CB 4.13Å; P210-F219 HydrophobicContact CG-CB 4.2Å |
| 211 | D | 74.3 | Confident | 68.3 | Low | 98 Ų | 98 | 81.5 Ų | 81.5 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 117.7 | 176.3 | 177.1 | 5.4 | 0 | 0 | 0 | 110.8 | D209 Q213 A214 | D209-D211 PolarHBondContact O-N 3.17Å; D211-Q213 PolarHBondContact O-N 3.13Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.5Å; D211-Q213 PolarHBondContact OD1-N 2.84Å; D211-A214 HydrophobicContact CB-CB 4.24Å; D211-A214 WeakPolarHBondContact O-CB 3.49Å; D211-A214 PolarHBondContact O-N 2.95Å |
| 212 | P | 64.3 | Low | 65.5 | Low | 134 Ų | 134 | 85.5 Ų | 85.5 | 87% | 0.87 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.4 | 178 | -23.5 | 34.7 | 0 | 0 | 0 | 114.5 | P210 | P210-P212 VanDerWaalsContact O-CD 3.25Å; P210-P212 WeakPolarHBondContact O-CD 3.47Å |
| 213 | Q | 65.5 | Low | 63.2 | Low | 168 Ų | 168 | 86.4 Ų | 86.4 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -4.5 | 179.2 | -54.2 | -172.8 | 30 | 0 | 0 | 113.3 | D211 I215 | D211-Q213 PolarHBondContact O-N 3.13Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.5Å; D211-Q213 PolarHBondContact OD1-N 2.84Å; Q213-I215 PolarHBondContact O-N 3.46Å |
| 214 | A | 57.9 | Low | 61.1 | Low | 62 Ų | 62 | 87.1 Ų | 87.1 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | trans | -64.1 | 118.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D211 G216 | D211-A214 HydrophobicContact CB-CB 4.24Å; D211-A214 WeakPolarHBondContact O-CB 3.49Å; D211-A214 PolarHBondContact O-N 2.95Å; A214-G216 VanDerWaalsContact C-N 3.29Å; A214-G216 PolarHBondContact O-N 3.45Å | ||
| 215 | I | 45.2 | Very low | 59.8 | Low | 183 Ų | 183 | 85.1 Ų | 85.1 | 94% | 0.938 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -77.9 | 79.5 | -180 | -53.1 | 174.1 | 0 | 0 | 0 | 109.6 | Q213 | Q213-I215 PolarHBondContact O-N 3.46Š|
| 216 | G | 43 | Very low | 58.6 | Low | 48 Ų | 48 | 85.3 Ų | 85.3 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 174.7 | 116.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A214 | A214-G216 VanDerWaalsContact C-N 3.29Å; A214-G216 PolarHBondContact O-N 3.45Å |
| 217 | N | 37.8 | Very low | 57.6 | Low | 148 Ų | 148 | 85.4 Ų | 85.4 | 79% | 0.791 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 38.3 | 100.5 | 174.3 | -67.5 | -15.8 | 0 | 0 | 0 | 115.6 | F219 | N217-F219 VanDerWaalsContact O-CD2 3.29Å; N217-F219 WeakPolarHBondContact O-CD2 3.33Å; N217-F219 PolarHBondContact O-N 3.42Å |
| 218 | C | 32.1 | Very low | 56.8 | Low | 128 Ų | 128 | 82.3 Ų | 82.3 | 87% | 0.865 | 46% | 0.462 | S | S | * | . | trans | -45.1 | 96.3 | 174.6 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | L220 | C218-L220 PolarHBondContact O-N 3Å; C218-L220 VanDerWaalsContact O-N 3.15Å | ||
| 219 | F | 34.8 | Very low | 55.8 | Low | 142 Ų | 142 | 84.6 Ų | 84.6 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | trans | -65.1 | 115 | 164.7 | -71.1 | -84.3 | 0 | 0 | 0 | 105.8 | P210 N217 H221 | P210-F219 HydrophobicContact CB-CB 4.13Å; P210-F219 HydrophobicContact CG-CB 4.2Å; N217-F219 VanDerWaalsContact O-CD2 3.29Å; N217-F219 WeakPolarHBondContact O-CD2 3.33Å; N217-F219 PolarHBondContact O-N 3.42Å; F219-H221 PolarHBondContact O-N 3.49Å | ||
| 220 | L | 33.8 | Very low | 54.7 | Low | 128 Ų | 128 | 84.4 Ų | 84.4 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | trans | -65.7 | 105.6 | -179.5 | -72.1 | 167.9 | 0 | 0 | 0 | 107.8 | C218 F222 | C218-L220 PolarHBondContact O-N 3Å; C218-L220 VanDerWaalsContact O-N 3.15Å; L220-F222 VanDerWaalsContact C-N 3.25Å; L220-F222 HydrophobicContact CB-CD2 3.78Å; L220-F222 HydrophobicContact CB-CE2 3.78Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 HydrophobicContact CG-CE2 4.45Å; L220-F222 PolarHBondContact O-N 3.12Å | ||
| 221 | H | 35.9 | Very low | 53.5 | Low | 113 Ų | 113 | 93.5 Ų | 93.5 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | trans | -70.1 | 83.6 | -178.4 | -167 | -108.6 | 0 | 0 | 0 | 110.2 | F219 | F219-H221 PolarHBondContact O-N 3.49Š| ||
| 222 | F | 38.3 | Very low | 52.4 | Low | 107 Ų | 107 | 93.3 Ų | 93.3 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | trans | -116.4 | 114.9 | 165.7 | -66.6 | -74.7 | 0 | 0 | 0 | 106.4 | L220 F224 | L220-F222 VanDerWaalsContact C-N 3.25Å; L220-F222 HydrophobicContact CB-CD2 3.78Å; L220-F222 HydrophobicContact CB-CE2 3.78Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 HydrophobicContact CG-CE2 4.45Å; L220-F222 PolarHBondContact O-N 3.12Å; F222-F224 HydrophobicContact CB-CD1 3.37Å; F222-F224 HydrophobicContact CB-CD2 4.39Å; F222-F224 HydrophobicContact CB-CE1 3.23Å; F222-F224 HydrophobicContact CB-CE2 4.24Å; F222-F224 HydrophobicContact CB-CG 4.04Å; F222-F224 HydrophobicContact CB-CZ 3.71Å; F222-F224 AromaticContact CD2-CE1 3.7Å; F222-F224 HydrophobicContact CD2-CE1 3.7Å; F222-F224 AromaticContact CD2-CZ 3.91Å; F222-F224 HydrophobicContact CD2-CZ 3.91Å; F222-F224 HydrophobicContact CG-CD1 4.25Å; F222-F224 AromaticContact CG-CE1 3.73Å; F222-F224 HydrophobicContact CG-CE1 3.73Å; F222-F224 HydrophobicContact CG-CZ 4.24Å; F222-F224 WeakPolarHBondContact O-CD2 3.35Å; F222-F224 VanDerWaalsContact O-CG 3.29Å; F222-F224 WeakPolarHBondContact O-CG 3.36Å; F222-F224 PolarHBondContact O-N 2.84Å | ||
| 223 | N | 49.1 | Very low | 51.8 | Low | 31 Ų | 31 | 91.2 Ų | 91.2 | 17% | 0.166 | 49% | 0.488 | C | S | . | . | trans | -66.2 | 79.5 | 167.6 | -75.3 | 12.4 | 0 | 0 | 0 | 108.2 | G75 D76 H174 K225 | G75-N223 CarbonylContact C-O 3.56Å; G75-N223 VanDerWaalsContact CA-O 3.22Å; G75-N223 WeakPolarHBondContact CA-O 3.46Å; D76-N223 HydrophobicContact CB-CB 3.51Å; D76-N223 PolarHBondContact OD2-ND2 2.86Å; H174-N223 PolarHBondContact O-OD1 3.07Å; N223-K225 PolarHBondContact O-N 3.45Å | ||
| 224 | F | 51.5 | Low | 51 | Low | 31 Ų | 31 | 86.9 Ų | 86.9 | 14% | 0.136 | 47% | 0.472 | C | S | . | . | trans | -67.5 | 117.7 | -161.6 | -67.2 | -63.2 | 0 | 0 | 0 | 111.5 | I73 C74 L122 C172 M173 F222 | I73-F224 HydrophobicContact CB-CD1 4.33Å; I73-F224 HydrophobicContact CB-CE1 4.28Å; I73-F224 HydrophobicContact CG2-CB 4.35Å; I73-F224 HydrophobicContact CG2-CD1 3.18Å; I73-F224 HydrophobicContact CG2-CE1 3.53Å; I73-F224 HydrophobicContact CG2-CG 4.03Å; C74-F224 WeakPolarHBondContact O-CA 3.45Å; L122-F224 HydrophobicContact CD1-CB 4.48Å; C172-F224 HydrophobicContact CB-CB 3.97Å; C172-F224 HydrophobicContact CB-CD2 3.56Å; C172-F224 HydrophobicContact CB-CE2 4.11Å; C172-F224 HydrophobicContact CB-CG 3.87Å; M173-F224 WeakPolarHBondContact O-CB 3.4Å; M173-F224 WeakPolarHBondContact O-CD2 3.41Å; M173-F224 PolarHBondContact O-N 3.03Å; F222-F224 HydrophobicContact CB-CD1 3.37Å; F222-F224 HydrophobicContact CB-CD2 4.39Å; F222-F224 HydrophobicContact CB-CE1 3.23Å; F222-F224 HydrophobicContact CB-CE2 4.24Å; F222-F224 HydrophobicContact CB-CG 4.04Å; F222-F224 HydrophobicContact CB-CZ 3.71Å; F222-F224 AromaticContact CD2-CE1 3.7Å; F222-F224 HydrophobicContact CD2-CE1 3.7Å; F222-F224 AromaticContact CD2-CZ 3.91Å; F222-F224 HydrophobicContact CD2-CZ 3.91Å; F222-F224 HydrophobicContact CG-CD1 4.25Å; F222-F224 AromaticContact CG-CE1 3.73Å; F222-F224 HydrophobicContact CG-CE1 3.73Å; F222-F224 HydrophobicContact CG-CZ 4.24Å; F222-F224 WeakPolarHBondContact O-CD2 3.35Å; F222-F224 VanDerWaalsContact O-CG 3.29Å; F222-F224 WeakPolarHBondContact O-CG 3.36Å; F222-F224 PolarHBondContact O-N 2.84Å | ||
| 225 | K | 66.9 | Low | 50.6 | Low | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 47% | 0.47 | C | S | . | . | trans | -123.9 | -33 | -171.7 | -145.4 | 129.8 | 174.3 | -170.6 | 0 | 115.6 | C74 G75 D76 Y94 L121 L122 E127 N223 | C74-K225 PolarHBondContact O-N 3.09Å; G75-K225 WeakPolarHBondContact O-CB 3.41Å; G75-K225 PolarHBondContact O-N 2.99Å; D76-K225 WeakPolarHBondContact OD1-CD 3.46Å; D76-K225 IonicContact OD1-NZ 3.62Å; D76-K225 PolarHBondContact OD1-NZ 3.49Å; Y94-K225 HydrophobicContact CD2-CG 3.92Å; Y94-K225 HydrophobicContact CG-CD 4.07Å; Y94-K225 HydrophobicContact CG-CG 3.9Å; L121-K225 CarbonylContact C-O 3.53Å; L121-K225 VanDerWaalsContact CA-O 3.25Å; L121-K225 WeakPolarHBondContact CA-O 3.48Å; L122-K225 PolarHBondContact N-O 2.9Å; E127-K225 WeakPolarHBondContact OE1-CE 3.23Å; E127-K225 IonicContact OE1-NZ 2.73Å; E127-K225 PolarHBondContact OE1-NZ 3.18Å; E127-K225 WeakPolarHBondContact OE2-CE 3.45Å; E127-K225 IonicContact OE2-NZ 3.7Å; E127-K225 PolarHBondContact OE2-NZ 3.1Å; N223-K225 PolarHBondContact O-N 3.45Å | ||
| 226 | A | 70.1 | Confident | 51 | Low | 3 Ų | 3 | 82.4 Ų | 82.4 | 3% | 0.025 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | C74 M108 F119 F120 L121 | C74-A226 HydrophobicContact CB-CB 4.12Å; C74-A226 PolarHBondContact N-O 3.1Å; C74-A226 PolarHBondContact O-N 3.28Å; M108-A226 HydrophobicContact CE-CB 4.09Å; F119-A226 HydrophobicContact CE2-CB 4.28Å; F119-A226 HydrophobicContact CZ-CB 4.15Å; F120-A226 CarbonylContact O-C 3.53Å; F120-A226 VanDerWaalsContact O-CA 3.28Å; F120-A226 WeakPolarHBondContact O-CA 3.26Å; L121-A226 HydrophobicContact CD2-CB 3.91Å |
| 227 | I | 71.5 | Confident | 51.5 | Low | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.01 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.3 | 169.5 | -62.4 | 166.4 | 0 | 0 | 0 | 107.4 | V67 I71 I72 I73 F119 F120 A164 | V67-I227 HydrophobicContact CG2-CD1 4.47Å; V67-I227 HydrophobicContact CG2-CG2 4.44Å; I71-I227 HydrophobicContact CB-CG2 3.88Å; I71-I227 HydrophobicContact CD1-CG2 3.73Å; I71-I227 HydrophobicContact CG1-CG2 4.41Å; I71-I227 HydrophobicContact CG2-CG2 3.92Å; I72-I227 WeakPolarHBondContact O-CA 3.21Å; I73-I227 HydrophobicContact CG1-CG1 4.35Å; I73-I227 HydrophobicContact CG2-CG1 3.95Å; F119-I227 CarbonylContact C-O 3.33Å; F119-I227 WeakPolarHBondContact CA-O 3.35Å; F120-I227 HydrophobicContact CB-CB 4.21Å; F120-I227 HydrophobicContact CD2-CB 4.46Å; F120-I227 HydrophobicContact CD2-CG2 4.44Å; F120-I227 PolarHBondContact N-O 2.81Å; F120-I227 PolarHBondContact O-N 2.9Å; A164-I227 HydrophobicContact CB-CD1 3.31Å |
| 228 | C | 74.2 | Confident | 52.5 | Low | 45 Ų | 45 | 80.2 Ų | 80.2 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.9 | 173.4 | -164.5 | 0 | 0 | 0 | 0 | 109.6 | I71 I72 D118 F119 | I71-C228 CarbonylContact C-O 3.47Å; I71-C228 WeakPolarHBondContact CA-O 3.4Å; I71-C228 WeakPolarHBondContact CB-O 3.47Å; I72-C228 PolarHBondContact N-O 3.27Å; I72-C228 PolarHBondContact O-N 3.02Å; D118-C228 CarbonylContact O-C 3.26Å; D118-C228 VanDerWaalsContact O-CA 3.26Å; D118-C228 WeakPolarHBondContact O-CA 3.21Å; F119-C228 HydrophobicContact CD2-CB 4.34Å |
| 229 | R | 67.3 | Low | 54 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 144.4 | 162.5 | -74 | 179.1 | 168.2 | 164.9 | -6 | 110 | I71 K117 D118 | I71-R229 HydrophobicContact CG2-CG 3.93Å; K117-R229 PolarHBondContact O-NH1 3.44Å; D118-R229 HydrophobicContact CB-CB 4.21Å; D118-R229 PolarHBondContact O-N 3.21Å; D118-R229 IonicContact OD1-NH1 3.83Å |
| 230 | N | 58.9 | Low | 55.6 | Low | 74 Ų | 74 | 71.1 Ų | 71.1 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | trans | -100.7 | 146.3 | 161.3 | -75.9 | -11.7 | 0 | 0 | 0 | 108.4 | P70 I72 | P70-N230 HydrophobicContact CB-CB 4.48Å; P70-N230 HydrophobicContact CG-CB 4.38Å; P70-N230 WeakPolarHBondContact CG-O 3.37Å; P70-N230 PolarHBondContact O-N 3.23Å; P70-N230 VanDerWaalsContact O-N 3.1Å; I72-N230 VanDerWaalsContact CD1-OD1 3.28Å; I72-N230 WeakPolarHBondContact CD1-OD1 3.28Å | ||
| 231 | D | 50.1 | Low | 57.6 | Low | 234 Ų | 234 | 65.9 Ų | 65.9 | 100% | 1.251 | 33% | 0.327 | S | S | * | . | trans | -106.2 | 0 | 159.8 | -73.3 | -31.1 | 0 | 0 | 0 | 109 |
Retrieved 231 of 231 residues in 531.3 ms
(Link to these results)