| 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 | 31.7 | Very low | 62.7 | Low | 243 Ų | 243 | 70.9 Ų | 70.9 | 100% | 1.197 | 47% | 0.467 | S | S | * | . | 0 | 97.7 | 0 | -64 | -59.1 | -151.8 | 0 | 0 | 108 | |||||
| 2 | A | 30.5 | Very low | 64.1 | Low | 92 Ų | 92 | 65 Ų | 65 | 76% | 0.76 | 43% | 0.428 | S | S | * | . | trans | -71.9 | 136.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108 | T4 | A2-T4 PolarHBondContact O-N 3.43Š| ||
| 3 | A | 35.2 | Very low | 65 | Low | 103 Ų | 103 | 60.1 Ų | 60.1 | 85% | 0.851 | 40% | 0.395 | S | S | * | . | trans | -64.6 | 106 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | G5 | A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 2.96Å | ||
| 4 | T | 46.5 | Very low | 65.2 | Low | 133 Ų | 133 | 60.9 Ų | 60.9 | 82% | 0.816 | 39% | 0.394 | S | S | * | . | trans | -69.7 | 92.2 | 173.7 | 50.1 | 0 | 0 | 0 | 0 | 107.5 | A2 | A2-T4 PolarHBondContact O-N 3.43Š| ||
| 5 | G | 55.9 | Low | 64.7 | Low | 60 Ų | 60 | 57.5 Ų | 57.5 | 62% | 0.619 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 140.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A3 K7 | A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 2.96Å; G5-K7 PolarHBondContact O-N 3Å; G5-K7 VanDerWaalsContact O-N 3.13Å |
| 6 | S | 68.1 | Low | 64.5 | Low | 80 Ų | 80 | 53.9 Ų | 53.9 | 56% | 0.559 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 118.7 | 178.1 | -52 | 0 | 0 | 0 | 0 | 109.5 | K39 | S6-K39 CarbonylContact C-O 3.47Å; S6-K39 VanDerWaalsContact CA-O 3.3Å; S6-K39 WeakPolarHBondContact CA-O 3.18Å |
| 7 | K | 82.4 | Confident | 64.2 | Low | 58 Ų | 58 | 51.6 Ų | 51.6 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142.2 | 178.8 | -67.8 | 177.7 | 178.4 | 171.7 | 0 | 108.5 | G5 K39 W40 R41 N195 S196 | G5-K7 PolarHBondContact O-N 3Å; G5-K7 VanDerWaalsContact O-N 3.13Å; K7-K39 PolarHBondContact N-O 3.18Å; K7-W40 HydrophobicContact CB-CD2 3.95Å; K7-W40 HydrophobicContact CB-CE3 3.58Å; K7-W40 HydrophobicContact CB-CH2 3.95Å; K7-W40 HydrophobicContact CB-CZ2 4.28Å; K7-W40 HydrophobicContact CB-CZ3 3.58Å; K7-W40 HydrophobicContact CD-CH2 4.05Å; K7-W40 HydrophobicContact CD-CZ2 3.97Å; K7-W40 CarbonylContact O-C 3.3Å; K7-W40 VanDerWaalsContact O-CA 3.29Å; K7-W40 WeakPolarHBondContact O-CA 3.46Å; K7-R41 PolarHBondContact O-N 2.73Å; K7-N195 VanDerWaalsContact CD-O 3.3Å; K7-N195 WeakPolarHBondContact CD-O 3.22Å; K7-N195 PolarHBondContact NZ-O 3.31Å; K7-S196 PolarHBondContact NZ-O 2.72Å |
| 8 | S | 83.4 | Confident | 64.5 | Low | 11 Ų | 11 | 48.9 Ų | 48.9 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.9 | -175 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | R41 N123 F124 E125 Y126 | S8-R41 VanDerWaalsContact CA-O 3.25Å; S8-R41 WeakPolarHBondContact CA-O 3.15Å; S8-N123 PolarHBondContact OG-O 2.91Å; S8-F124 VanDerWaalsContact OG-CA 3.3Å; S8-F124 WeakPolarHBondContact OG-CA 3.42Å; S8-E125 PolarHBondContact O-N 3Å; S8-E125 VanDerWaalsContact O-N 3.09Å; S8-E125 PolarHBondContact OG-N 2.8Å; S8-Y126 PolarHBondContact O-N 3.03Å |
| 9 | V | 86.3 | Confident | 65.2 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.3 | -177.7 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | F11 F27 W40 R41 I42 D43 Y126 L128 F191 | V9-F11 HydrophobicContact CG1-CE2 4.03Å; V9-F11 HydrophobicContact CG1-CZ 4.41Å; V9-F11 HydrophobicContact CG2-CE1 4.39Å; V9-F11 HydrophobicContact CG2-CE2 4.06Å; V9-F11 HydrophobicContact CG2-CZ 3.95Å; V9-F27 HydrophobicContact CG1-CD1 3.95Å; V9-F27 HydrophobicContact CG1-CE1 3.63Å; V9-F27 HydrophobicContact CG1-CZ 4.28Å; V9-W40 HydrophobicContact CB-CE3 4.48Å; V9-W40 HydrophobicContact CB-CZ3 4.19Å; V9-W40 HydrophobicContact CG1-CE3 4.09Å; V9-W40 HydrophobicContact CG1-CZ3 4.22Å; V9-R41 PolarHBondContact N-O 2.93Å; V9-I42 HydrophobicContact CG1-CG1 4.37Å; V9-I42 HydrophobicContact CG1-CG2 4.37Å; V9-D43 PolarHBondContact O-N 2.65Å; V9-Y126 CarbonylContact C-O 3.11Å; V9-Y126 WeakPolarHBondContact CA-O 3.2Å; V9-L128 HydrophobicContact CG2-CD1 3.7Å; V9-L128 HydrophobicContact CG2-CG 3.94Å; V9-F191 HydrophobicContact CB-CE1 4.28Å; V9-F191 HydrophobicContact CG2-CE1 3.98Å; V9-F191 HydrophobicContact CG2-CZ 4.17Å |
| 10 | L | 85.7 | Confident | 65.6 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.6 | -177.2 | -162.2 | 85.9 | 0 | 0 | 0 | 111.5 | V12 D43 A45 V116 D120 F124 Y126 I127 L128 | L10-V12 HydrophobicContact CD2-CG2 3.99Å; L10-V12 HydrophobicContact CG-CG2 4.28Å; L10-D43 VanDerWaalsContact CA-O 3.23Å; L10-D43 WeakPolarHBondContact CA-O 3.41Å; L10-D43 HydrophobicContact CD1-CB 4.17Å; L10-A45 HydrophobicContact CD1-CB 4.07Å; L10-A45 HydrophobicContact CD2-CB 4.18Å; L10-A45 HydrophobicContact CG-CB 4.46Å; L10-V116 HydrophobicContact CD2-CG1 4.38Å; L10-D120 HydrophobicContact CD1-CB 4.36Å; L10-D120 HydrophobicContact CD2-CB 3.88Å; L10-F124 HydrophobicContact CB-CB 4.13Å; L10-F124 HydrophobicContact CB-CD1 4.04Å; L10-F124 HydrophobicContact CB-CD2 4.35Å; L10-F124 HydrophobicContact CB-CG 3.84Å; L10-F124 HydrophobicContact CD1-CD1 4.24Å; L10-F124 HydrophobicContact CD1-CD2 3.65Å; L10-F124 HydrophobicContact CD1-CE1 4.35Å; L10-F124 HydrophobicContact CD1-CE2 3.75Å; L10-F124 HydrophobicContact CD1-CG 3.96Å; L10-F124 HydrophobicContact CD1-CZ 4.16Å; L10-F124 HydrophobicContact CG-CD2 4.44Å; L10-F124 HydrophobicContact CG-CG 4.42Å; L10-Y126 PolarHBondContact N-O 2.81Å; L10-I127 HydrophobicContact CB-CB 4.35Å; L10-I127 HydrophobicContact CB-CG1 3.89Å; L10-I127 HydrophobicContact CB-CG2 4.41Å; L10-I127 HydrophobicContact CD2-CB 4.45Å; L10-I127 HydrophobicContact CD2-CD1 4.01Å; L10-I127 HydrophobicContact CD2-CG1 3.76Å; L10-I127 HydrophobicContact CD2-CG2 4.02Å; L10-I127 HydrophobicContact CG-CG1 4.45Å; L10-I127 CarbonylContact O-C 3.1Å; L10-I127 WeakPolarHBondContact O-CA 3.45Å; L10-L128 PolarHBondContact O-N 3.32Å |
| 11 | F | 84.1 | Confident | 65.9 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.5 | 175.8 | -61.9 | -79.6 | 0 | 0 | 0 | 115 | V9 S20 A23 E24 F27 I42 D43 S44 L128 M130 L155 | V9-F11 HydrophobicContact CG1-CE2 4.03Å; V9-F11 HydrophobicContact CG1-CZ 4.41Å; V9-F11 HydrophobicContact CG2-CE1 4.39Å; V9-F11 HydrophobicContact CG2-CE2 4.06Å; V9-F11 HydrophobicContact CG2-CZ 3.95Å; F11-S20 VanDerWaalsContact O-CB 3.23Å; F11-S20 WeakPolarHBondContact O-CB 3.39Å; F11-A23 HydrophobicContact CB-CB 4.28Å; F11-A23 HydrophobicContact CD1-CB 3.63Å; F11-A23 HydrophobicContact CE1-CB 4.1Å; F11-A23 HydrophobicContact CG-CB 3.95Å; F11-E24 HydrophobicContact CD2-CB 4.07Å; F11-F27 HydrophobicContact CE2-CB 3.72Å; F11-F27 HydrophobicContact CE2-CD1 4.06Å; F11-F27 AromaticContact CE2-CG 3.95Å; F11-F27 HydrophobicContact CE2-CG 3.95Å; F11-F27 HydrophobicContact CZ-CB 3.58Å; F11-F27 HydrophobicContact CZ-CD1 4.16Å; F11-F27 HydrophobicContact CZ-CD2 4.12Å; F11-F27 AromaticContact CZ-CG 3.68Å; F11-F27 HydrophobicContact CZ-CG 3.68Å; F11-I42 HydrophobicContact CE2-CG2 4.3Å; F11-D43 PolarHBondContact N-O 3.28Å; F11-S44 WeakPolarHBondContact O-CB 3.45Å; F11-L128 CarbonylContact C-O 3.59Å; F11-L128 WeakPolarHBondContact CA-O 3.3Å; F11-L128 HydrophobicContact CD1-CB 4.08Å; F11-L128 HydrophobicContact CE1-CB 4.24Å; F11-L128 HydrophobicContact CE1-CD1 3.9Å; F11-L128 HydrophobicContact CZ-CD1 4.45Å; F11-M130 HydrophobicContact CB-CE 4.31Å; F11-M130 HydrophobicContact CD1-CE 4.42Å; F11-L155 HydrophobicContact CD1-CD2 4.13Å; F11-L155 HydrophobicContact CE1-CD1 4.04Å; F11-L155 HydrophobicContact CE1-CD2 4.13Å |
| 12 | V | 78.9 | Confident | 68.1 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.7 | -174.9 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | L10 T85 V116 I127 L128 C129 M130 L138 | L10-V12 HydrophobicContact CD2-CG2 3.99Å; L10-V12 HydrophobicContact CG-CG2 4.28Å; V12-T85 HydrophobicContact CG1-CG2 3.89Å; V12-V116 HydrophobicContact CG2-CG2 4.41Å; V12-I127 HydrophobicContact CG2-CG2 3.81Å; V12-L128 PolarHBondContact N-O 2.9Å; V12-C129 HydrophobicContact CB-CB 4.45Å; V12-C129 VanDerWaalsContact O-CA 3.24Å; V12-C129 WeakPolarHBondContact O-CA 3.25Å; V12-M130 WeakPolarHBondContact O-CG 3.49Å; V12-M130 PolarHBondContact O-N 3.07Å; V12-L138 HydrophobicContact CB-CD1 3.99Å; V12-L138 HydrophobicContact CG1-CD1 4.06Å; V12-L138 HydrophobicContact CG1-CD2 4.28Å; V12-L138 HydrophobicContact CG1-CG 4.44Å; V12-L138 HydrophobicContact CG2-CD1 4.31Å; V12-L138 HydrophobicContact CG2-CD2 4.41Å |
| 13 | C | 76.3 | Confident | 70.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | -173.2 | 169.9 | 89.2 | 0 | 0 | 0 | 0 | 111 | N16 R19 S20 G83 A84 T85 M130 N134 | C13-N16 PolarHBondContact SG-N 3.47Å; C13-R19 HydrophobicContact CB-CB 3.7Å; C13-S20 PolarHBondContact N-OG 2.9Å; C13-S20 PolarHBondContact SG-OG 3.13Å; C13-G83 PolarHBondContact N-O 3.1Å; C13-A84 CarbonylContact O-C 3.57Å; C13-A84 VanDerWaalsContact O-C 3.23Å; C13-A84 WeakPolarHBondContact O-CA 3.19Å; C13-T85 PolarHBondContact O-N 3.18Å; C13-M130 HydrophobicContact CB-CB 4.2Å; C13-M130 HydrophobicContact CB-CG 3.48Å; C13-M130 VanDerWaalsContact CB-CG 3.48Å; C13-N134 WeakPolarHBondContact CA-OD1 3.41Å |
| 14 | L | 68.2 | Low | 72.6 | Confident | 72 Ų | 72 | 21.3 Ų | 21.3 | 38% | 0.377 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -68.7 | -60.6 | 179.3 | 177.5 | 62.1 | 0 | 0 | 0 | 115 | A84 T85 S86 | L14-A84 CarbonylContact O-C 3.59Å; L14-A84 VanDerWaalsContact O-CA 3.26Å; L14-A84 WeakPolarHBondContact O-CA 3.31Å; L14-A84 WeakPolarHBondContact O-CB 3.27Å; L14-T85 WeakPolarHBondContact CA-OG1 3.32Å; L14-T85 WeakPolarHBondContact CD1-OG1 3.29Å; L14-T85 CarbonylContact O-C 3.22Å; L14-T85 PolarHBondContact O-N 3.03Å; L14-S86 PolarHBondContact O-N 3.48Å; L14-S86 PolarHBondContact O-OG 2.98Å |
| 15 | G | 56.7 | Low | 74.2 | Confident | 10 Ų | 10 | 15 Ų | 15 | 10% | 0.103 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -97.8 | -11.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | I17 A84 N89 | G15-I17 PolarHBondContact O-N 3.22Å; G15-A84 VanDerWaalsContact C-CB 3.45Å; G15-N89 WeakPolarHBondContact O-CB 3.34Å |
| 16 | N | 61.2 | Low | 75.6 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 50 | 19.3 | -171.3 | -170.6 | -127.9 | 0 | 0 | 0 | 117.2 | C13 S20 P21 S82 G83 A84 H111 A113 | C13-N16 PolarHBondContact SG-N 3.47Å; N16-S20 PolarHBondContact ND2-OG 3.13Å; N16-P21 VanDerWaalsContact ND2-CD 3.31Å; N16-P21 WeakPolarHBondContact ND2-CD 3.31Å; N16-P21 WeakPolarHBondContact ND2-CG 3.18Å; N16-P21 WeakPolarHBondContact O-CG 3.47Å; N16-S82 VanDerWaalsContact CG-C 3.43Å; N16-S82 VanDerWaalsContact ND2-C 3.32Å; N16-S82 WeakPolarHBondContact ND2-CB 3.45Å; N16-S82 PolarHBondContact ND2-OG 2.83Å; N16-S82 PolarHBondContact OD1-O 3.12Å; N16-G83 VanDerWaalsContact CB-CA 3.43Å; N16-G83 WeakPolarHBondContact CB-O 3.3Å; N16-G83 VanDerWaalsContact CG-C 3.45Å; N16-G83 WeakPolarHBondContact ND2-CA 3.2Å; N16-G83 PolarHBondContact ND2-N 2.82Å; N16-G83 PolarHBondContact ND2-O 3.5Å; N16-G83 VanDerWaalsContact OD1-CA 3.24Å; N16-G83 WeakPolarHBondContact OD1-CA 3.42Å; N16-G83 PolarHBondContact OD1-N 3.34Å; N16-A84 HydrophobicContact CB-CB 3.35Å; N16-H111 PolarHBondContact OD1-NE2 2.87Å; N16-A113 HydrophobicContact CB-CB 4.03Å; N16-A113 WeakPolarHBondContact OD1-CA 3.32Å; N16-A113 WeakPolarHBondContact OD1-CB 3.32Å |
| 17 | I | 59.9 | Low | 76.4 | Confident | 14 Ų | 14 | 8.4 Ų | 8.4 | 7% | 0.072 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -98.2 | -23 | 169 | 47.9 | 161.4 | 0 | 0 | 0 | 110.4 | G15 N89 P94 D95 Y170 | G15-I17 PolarHBondContact O-N 3.22Å; I17-N89 HydrophobicContact CG2-CB 3.76Å; I17-P94 CarbonylContact O-C 3.53Å; I17-P94 WeakPolarHBondContact O-CA 3.13Å; I17-D95 HydrophobicContact CB-CB 4.22Å; I17-D95 WeakPolarHBondContact O-CB 3.5Å; I17-D95 PolarHBondContact O-N 3.48Å; I17-Y170 HydrophobicContact CD1-CD2 3.94Å; I17-Y170 HydrophobicContact CD1-CE2 3.64Å |
| 18 | C | 70 | Confident | 76.4 | Confident | 4 Ų | 4 | 8.3 Ų | 8.3 | 3% | 0.027 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -111.2 | -79.4 | -175.9 | -50.3 | 0 | 0 | 0 | 0 | 112.9 | I22 P169 F177 | C18-I22 VanDerWaalsContact O-CD1 3.27Å; C18-I22 WeakPolarHBondContact O-CD1 3.4Å; C18-I22 VanDerWaalsContact O-CG1 3.26Å; C18-I22 WeakPolarHBondContact O-CG1 3.42Å; C18-P169 HydrophobicContact CB-CG 3.88Å; C18-F177 HydrophobicContact CB-CE1 3.88Å; C18-F177 HydrophobicContact CB-CZ 4.36Å |
| 19 | R | 77.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 0% | 0.004 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -79.7 | -48.6 | -160.6 | -59.1 | 174.5 | -87.2 | 161.5 | 2.2 | 114.9 | C13 I22 A23 M130 D131 I166 K167 D168 P169 V180 | C13-R19 HydrophobicContact CB-CB 3.7Å; R19-I22 PolarHBondContact O-N 3.47Å; R19-A23 PolarHBondContact O-N 3.15Å; R19-M130 HydrophobicContact CB-CG 3.76Å; R19-M130 HydrophobicContact CB-SD 4.27Å; R19-M130 VanDerWaalsContact NH1-CB 3.28Å; R19-D131 IonicContact CZ-OD2 2.7Å; R19-D131 IonicContact NH1-OD2 3.49Å; R19-D131 PolarHBondContact NH1-OD2 2.98Å; R19-D131 IonicContact NH2-OD2 2.94Å; R19-D131 PolarHBondContact NH2-OD2 2.81Å; R19-I166 WeakPolarHBondContact CD-O 3.49Å; R19-I166 HydrophobicContact CG-CG2 4.38Å; R19-I166 PolarHBondContact NH1-O 3.38Å; R19-K167 WeakPolarHBondContact CD-O 3.43Å; R19-D168 IonicContact CZ-OD2 3.37Å; R19-D168 IonicContact NE-OD1 2.67Å; R19-D168 IonicContact NE-OD2 2.91Å; R19-D168 PolarHBondContact NE-OD2 3.42Å; R19-D168 VanDerWaalsContact NE-OD2 3.14Å; R19-D168 IonicContact NH2-OD2 3.36Å; R19-D168 PolarHBondContact NH2-OD2 2.96Å; R19-P169 HydrophobicContact CG-CG 4.42Å; R19-V180 HydrophobicContact CB-CG1 4.43Å; R19-V180 HydrophobicContact CG-CG1 4.1Å |
| 20 | S | 72.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | -178.9 | 36.4 | 0 | 0 | 0 | 0 | 115.3 | F11 C13 N16 I22 A23 E24 G83 | F11-S20 VanDerWaalsContact O-CB 3.23Å; F11-S20 WeakPolarHBondContact O-CB 3.39Å; C13-S20 PolarHBondContact N-OG 2.9Å; C13-S20 PolarHBondContact SG-OG 3.13Å; N16-S20 PolarHBondContact ND2-OG 3.13Å; S20-I22 VanDerWaalsContact C-N 3.3Å; S20-I22 PolarHBondContact O-N 3.34Å; S20-A23 PolarHBondContact O-N 3.32Å; S20-E24 WeakPolarHBondContact O-CB 3.38Å; S20-E24 PolarHBondContact O-N 3.45Å; S20-G83 PolarHBondContact OG-O 3.06Å |
| 21 | P | 72.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.5 | -34.6 | 173.3 | -18.7 | 31 | 0 | 0 | 0 | 112.8 | N16 A25 P94 | N16-P21 VanDerWaalsContact ND2-CD 3.31Å; N16-P21 WeakPolarHBondContact ND2-CD 3.31Å; N16-P21 WeakPolarHBondContact ND2-CG 3.18Å; N16-P21 WeakPolarHBondContact O-CG 3.47Å; P21-A25 WeakPolarHBondContact O-CB 3.46Å; P21-A25 PolarHBondContact O-N 3.01Å; P21-P94 HydrophobicContact CB-CB 4.21Å; P21-P94 HydrophobicContact CB-CG 3.92Å; P21-P94 HydrophobicContact CG-CB 4.27Å; P21-P94 HydrophobicContact CG-CG 4.18Å |
| 22 | I | 77.1 | Confident | 76.1 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -49.7 | 175.4 | -68.4 | 170.7 | 0 | 0 | 0 | 109.8 | C18 R19 S20 E24 A25 V26 L102 F177 V180 Y181 C184 | C18-I22 VanDerWaalsContact O-CD1 3.27Å; C18-I22 WeakPolarHBondContact O-CD1 3.4Å; C18-I22 VanDerWaalsContact O-CG1 3.26Å; C18-I22 WeakPolarHBondContact O-CG1 3.42Å; R19-I22 PolarHBondContact O-N 3.47Å; S20-I22 VanDerWaalsContact C-N 3.3Å; S20-I22 PolarHBondContact O-N 3.34Å; I22-E24 PolarHBondContact O-N 3.18Å; I22-A25 PolarHBondContact O-N 3.07Å; I22-V26 HydrophobicContact CG2-CG2 4.35Å; I22-V26 VanDerWaalsContact O-CB 3.28Å; I22-V26 WeakPolarHBondContact O-CB 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.29Å; I22-V26 PolarHBondContact O-N 3.45Å; I22-L102 HydrophobicContact CG1-CD1 4.25Å; I22-L102 HydrophobicContact CG1-CD2 4.4Å; I22-L102 HydrophobicContact CG1-CG 4.23Å; I22-L102 HydrophobicContact CG2-CD2 4.37Å; I22-F177 HydrophobicContact CD1-CD1 4.17Å; I22-V180 HydrophobicContact CD1-CG1 4.19Å; I22-Y181 HydrophobicContact CG2-CD2 4.18Å; I22-C184 HydrophobicContact CG2-CB 4.25Å |
| 23 | A | 81.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F11 R19 S20 F27 M130 L155 C184 | F11-A23 HydrophobicContact CB-CB 4.28Å; F11-A23 HydrophobicContact CD1-CB 3.63Å; F11-A23 HydrophobicContact CE1-CB 4.1Å; F11-A23 HydrophobicContact CG-CB 3.95Å; R19-A23 PolarHBondContact O-N 3.15Å; S20-A23 PolarHBondContact O-N 3.32Å; A23-F27 VanDerWaalsContact O-CB 3.31Å; A23-F27 WeakPolarHBondContact O-CB 3.3Å; A23-F27 PolarHBondContact O-N 3.47Å; A23-M130 HydrophobicContact CB-CE 3.6Å; A23-L155 HydrophobicContact CB-CD2 3.76Å; A23-C184 HydrophobicContact CB-CB 4.4Å |
| 24 | E | 80.6 | Confident | 76.4 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -50.2 | 177.7 | -173.5 | -105.9 | 133.6 | 0 | 0 | 111.7 | F11 S20 I22 V26 F27 R28 I42 I80 | F11-E24 HydrophobicContact CD2-CB 4.07Å; S20-E24 WeakPolarHBondContact O-CB 3.38Å; S20-E24 PolarHBondContact O-N 3.45Å; I22-E24 PolarHBondContact O-N 3.18Å; E24-V26 PolarHBondContact O-N 3.38Å; E24-F27 PolarHBondContact O-N 2.91Å; E24-R28 WeakPolarHBondContact O-CB 3.5Å; E24-R28 PolarHBondContact O-N 3.48Å; E24-R28 IonicContact OE1-CZ 3.08Å; E24-R28 IonicContact OE1-NE 2.89Å; E24-R28 PolarHBondContact OE1-NE 2.7Å; E24-R28 IonicContact OE1-NH2 3.65Å; E24-R28 PolarHBondContact OE1-NH2 2.78Å; E24-I42 HydrophobicContact CG-CG2 4.07Å; E24-I80 WeakPolarHBondContact OE1-CG2 3.49Å |
| 25 | A | 79.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -37.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P21 I22 K29 L102 I107 | P21-A25 WeakPolarHBondContact O-CB 3.46Å; P21-A25 PolarHBondContact O-N 3.01Å; I22-A25 PolarHBondContact O-N 3.07Å; A25-K29 PolarHBondContact O-N 3.26Å; A25-K29 VanDerWaalsContact O-N 3.07Å; A25-L102 HydrophobicContact CB-CD1 4.12Å; A25-L102 HydrophobicContact CB-CD2 4.13Å; A25-I107 HydrophobicContact CB-CG2 3.75Å |
| 26 | V | 84.7 | Confident | 78.3 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -52 | 172.9 | 167.4 | 0 | 0 | 0 | 0 | 111 | I22 E24 R28 K29 M30 L102 I107 Y181 L185 C188 | I22-V26 HydrophobicContact CG2-CG2 4.35Å; I22-V26 VanDerWaalsContact O-CB 3.28Å; I22-V26 WeakPolarHBondContact O-CB 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.29Å; I22-V26 PolarHBondContact O-N 3.45Å; E24-V26 PolarHBondContact O-N 3.38Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 3.38Å; V26-K29 PolarHBondContact O-N 3.08Å; V26-K29 VanDerWaalsContact O-N 3.14Å; V26-M30 HydrophobicContact CG1-CG 4.47Å; V26-M30 HydrophobicContact CG1-SD 4.47Å; V26-M30 WeakPolarHBondContact O-CG 3.35Å; V26-M30 PolarHBondContact O-N 3.2Å; V26-L102 HydrophobicContact CG2-CD2 4.5Å; V26-I107 HydrophobicContact CG2-CD1 4.06Å; V26-Y181 HydrophobicContact CG2-CD2 3.69Å; V26-Y181 HydrophobicContact CG2-CE2 3.49Å; V26-Y181 VanDerWaalsContact CG2-CE2 3.49Å; V26-L185 HydrophobicContact CG1-CB 4.27Å; V26-L185 HydrophobicContact CG1-CD1 3.88Å; V26-C188 HydrophobicContact CG1-CB 4.1Å |
| 27 | F | 85.8 | Confident | 79 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | -179.2 | -172.4 | -101.7 | 0 | 0 | 0 | 112 | V9 F11 A23 E24 K29 M30 A31 W40 I42 C188 F191 L192 | V9-F27 HydrophobicContact CG1-CD1 3.95Å; V9-F27 HydrophobicContact CG1-CE1 3.63Å; V9-F27 HydrophobicContact CG1-CZ 4.28Å; F11-F27 HydrophobicContact CE2-CB 3.72Å; F11-F27 HydrophobicContact CE2-CD1 4.06Å; F11-F27 AromaticContact CE2-CG 3.95Å; F11-F27 HydrophobicContact CE2-CG 3.95Å; F11-F27 HydrophobicContact CZ-CB 3.58Å; F11-F27 HydrophobicContact CZ-CD1 4.16Å; F11-F27 HydrophobicContact CZ-CD2 4.12Å; F11-F27 AromaticContact CZ-CG 3.68Å; F11-F27 HydrophobicContact CZ-CG 3.68Å; A23-F27 VanDerWaalsContact O-CB 3.31Å; A23-F27 WeakPolarHBondContact O-CB 3.3Å; A23-F27 PolarHBondContact O-N 3.47Å; E24-F27 PolarHBondContact O-N 2.91Å; F27-K29 PolarHBondContact O-N 3.1Å; F27-M30 PolarHBondContact O-N 2.98Å; F27-A31 WeakPolarHBondContact O-CB 3.23Å; F27-A31 PolarHBondContact O-N 3.08Å; F27-W40 HydrophobicContact CE1-CD2 4.06Å; F27-W40 HydrophobicContact CE1-CE3 4.09Å; F27-W40 HydrophobicContact CE1-CG 4.31Å; F27-W40 AromaticContact CZ-CD2 3.94Å; F27-W40 HydrophobicContact CZ-CD2 3.94Å; F27-W40 AromaticContact CZ-CE2 3.98Å; F27-W40 HydrophobicContact CZ-CE3 4.06Å; F27-W40 HydrophobicContact CZ-CG 4.48Å; F27-W40 HydrophobicContact CZ-CH2 4.25Å; F27-W40 HydrophobicContact CZ-CZ2 4.13Å; F27-W40 HydrophobicContact CZ-CZ3 4.21Å; F27-I42 HydrophobicContact CD1-CD1 3.63Å; F27-I42 HydrophobicContact CD1-CG1 3.8Å; F27-I42 HydrophobicContact CD1-CG2 4.01Å; F27-I42 HydrophobicContact CE1-CD1 3.84Å; F27-I42 HydrophobicContact CE1-CG1 3.8Å; F27-C188 HydrophobicContact CB-CB 4.29Å; F27-C188 HydrophobicContact CD2-CB 3.96Å; F27-F191 HydrophobicContact CD2-CD1 4.33Å; F27-F191 AromaticContact CE2-CD1 3.59Å; F27-F191 HydrophobicContact CE2-CD1 3.59Å; F27-F191 HydrophobicContact CE2-CE1 4.04Å; F27-F191 HydrophobicContact CZ-CD1 4.07Å; F27-F191 HydrophobicContact CZ-CE1 4.04Å; F27-L192 HydrophobicContact CE2-CB 3.91Å; F27-L192 HydrophobicContact CE2-CD1 3.94Å; F27-L192 HydrophobicContact CE2-CG 4.43Å; F27-L192 HydrophobicContact CZ-CD1 3.84Å |
| 28 | R | 81.5 | Confident | 79.7 | Confident | 55 Ų | 55 | 31 Ų | 31 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.4 | -51.7 | 170.8 | 165.3 | 173.9 | -55.1 | -50.5 | -32.1 | 112.2 | E24 V26 A31 T32 | E24-R28 WeakPolarHBondContact O-CB 3.5Å; E24-R28 PolarHBondContact O-N 3.48Å; E24-R28 IonicContact OE1-CZ 3.08Å; E24-R28 IonicContact OE1-NE 2.89Å; E24-R28 PolarHBondContact OE1-NE 2.7Å; E24-R28 IonicContact OE1-NH2 3.65Å; E24-R28 PolarHBondContact OE1-NH2 2.78Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 3.38Å; R28-A31 PolarHBondContact O-N 3.03Å; R28-T32 WeakPolarHBondContact O-CB 3.25Å; R28-T32 PolarHBondContact O-N 3.39Å; R28-T32 PolarHBondContact O-OG1 3.49Å |
| 29 | K | 83.9 | Confident | 80.1 | Confident | 81 Ų | 81 | 36.2 Ų | 36.2 | 35% | 0.352 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.8 | -48 | 178.3 | 174.5 | 161.6 | 172.4 | 45.4 | 0 | 110.7 | A25 V26 F27 A31 T32 D33 I107 | A25-K29 PolarHBondContact O-N 3.26Å; A25-K29 VanDerWaalsContact O-N 3.07Å; V26-K29 PolarHBondContact O-N 3.08Å; V26-K29 VanDerWaalsContact O-N 3.14Å; F27-K29 PolarHBondContact O-N 3.1Å; K29-A31 PolarHBondContact O-N 3.45Å; K29-T32 WeakPolarHBondContact O-CB 3.39Å; K29-T32 PolarHBondContact O-N 2.87Å; K29-D33 WeakPolarHBondContact CE-OD2 3.31Å; K29-D33 WeakPolarHBondContact CG-OD2 3.23Å; K29-D33 IonicContact NZ-OD1 3.14Å; K29-D33 PolarHBondContact NZ-OD1 2.89Å; K29-D33 IonicContact NZ-OD2 2.69Å; K29-D33 PolarHBondContact NZ-OD2 2.66Å; K29-D33 WeakPolarHBondContact O-CB 3.46Å; K29-D33 PolarHBondContact O-N 3.24Å; K29-I107 HydrophobicContact CB-CD1 4.42Å; K29-I107 HydrophobicContact CD-CD1 3.95Å; K29-I107 HydrophobicContact CD-CG1 3.82Å |
| 30 | M | 84.3 | Confident | 79.9 | Confident | 30 Ų | 30 | 37 Ų | 37 | 15% | 0.148 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | -179.7 | -64.5 | -157.6 | 69.9 | 0 | 0 | 113.4 | V26 F27 T32 S34 L185 C188 K189 L192 | V26-M30 HydrophobicContact CG1-CG 4.47Å; V26-M30 HydrophobicContact CG1-SD 4.47Å; V26-M30 WeakPolarHBondContact O-CG 3.35Å; V26-M30 PolarHBondContact O-N 3.2Å; F27-M30 PolarHBondContact O-N 2.98Å; M30-T32 VanDerWaalsContact C-N 3.31Å; M30-T32 PolarHBondContact O-N 3.37Å; M30-S34 WeakPolarHBondContact O-CB 3.48Å; M30-S34 PolarHBondContact O-N 2.76Å; M30-S34 PolarHBondContact O-OG 3.34Å; M30-L185 HydrophobicContact CG-CD1 4.41Å; M30-L185 HydrophobicContact SD-CD1 3.88Å; M30-C188 HydrophobicContact SD-CB 4.21Å; M30-K189 HydrophobicContact CE-CB 3.5Å; M30-K189 HydrophobicContact CE-CD 4.08Å; M30-K189 HydrophobicContact CE-CG 3.63Å; M30-K189 HydrophobicContact SD-CB 3.91Å; M30-L192 HydrophobicContact CB-CD2 4.03Å |
| 31 | A | 82.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -33.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F27 R28 K29 G35 V36 V37 I42 | F27-A31 WeakPolarHBondContact O-CB 3.23Å; F27-A31 PolarHBondContact O-N 3.08Å; R28-A31 PolarHBondContact O-N 3.03Å; K29-A31 PolarHBondContact O-N 3.45Å; A31-G35 PolarHBondContact O-N 3.47Å; A31-V36 HydrophobicContact CB-CG2 4.33Å; A31-V36 PolarHBondContact O-N 3.33Å; A31-V37 HydrophobicContact CB-CB 4.3Å; A31-V37 PolarHBondContact O-N 3.06Å; A31-I42 HydrophobicContact CB-CD1 4.21Å |
| 32 | T | 82.2 | Confident | 79.2 | Confident | 73 Ų | 73 | 41.1 Ų | 41.1 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70 | -52.6 | 174.5 | -55 | 0 | 0 | 0 | 0 | 111.2 | R28 K29 M30 S34 G35 | R28-T32 WeakPolarHBondContact O-CB 3.25Å; R28-T32 PolarHBondContact O-N 3.39Å; R28-T32 PolarHBondContact O-OG1 3.49Å; K29-T32 WeakPolarHBondContact O-CB 3.39Å; K29-T32 PolarHBondContact O-N 2.87Å; M30-T32 VanDerWaalsContact C-N 3.31Å; M30-T32 PolarHBondContact O-N 3.37Å; T32-S34 PolarHBondContact O-N 3.11Å; T32-G35 PolarHBondContact O-N 3.27Å |
| 33 | D | 81.1 | Confident | 78.1 | Confident | 105 Ų | 105 | 41.2 Ų | 41.2 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.9 | -31.5 | 178.2 | -65.9 | -16.5 | 0 | 0 | 0 | 111.9 | K29 | K29-D33 WeakPolarHBondContact CE-OD2 3.31Å; K29-D33 WeakPolarHBondContact CG-OD2 3.23Å; K29-D33 IonicContact NZ-OD1 3.14Å; K29-D33 PolarHBondContact NZ-OD1 2.89Å; K29-D33 IonicContact NZ-OD2 2.69Å; K29-D33 PolarHBondContact NZ-OD2 2.66Å; K29-D33 WeakPolarHBondContact O-CB 3.46Å; K29-D33 PolarHBondContact O-N 3.24Å |
| 34 | S | 80.9 | Confident | 76.2 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 47% | 0.469 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.7 | 178.2 | -51.7 | 0 | 0 | 0 | 0 | 114 | M30 T32 V36 | M30-S34 WeakPolarHBondContact O-CB 3.48Å; M30-S34 PolarHBondContact O-N 2.76Å; M30-S34 PolarHBondContact O-OG 3.34Å; T32-S34 PolarHBondContact O-N 3.11Å; S34-V36 VanDerWaalsContact C-N 3.26Å; S34-V36 PolarHBondContact O-N 3.2Å |
| 35 | G | 83.1 | Confident | 74.2 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 64% | 0.639 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 23.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | A31 T32 | A31-G35 PolarHBondContact O-N 3.47Å; T32-G35 PolarHBondContact O-N 3.27Å |
| 36 | V | 81.6 | Confident | 72.2 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | trans | -116.8 | 3.4 | -177.9 | -64.9 | 0 | 0 | 0 | 0 | 113.7 | A31 S34 D38 K39 L192 | A31-V36 HydrophobicContact CB-CG2 4.33Å; A31-V36 PolarHBondContact O-N 3.33Å; S34-V36 VanDerWaalsContact C-N 3.26Å; S34-V36 PolarHBondContact O-N 3.2Å; V36-D38 PolarHBondContact O-N 3.3Å; V36-D38 VanDerWaalsContact O-N 3.17Å; V36-K39 HydrophobicContact CB-CD 4.21Å; V36-K39 HydrophobicContact CG1-CD 4.24Å; V36-K39 VanDerWaalsContact O-CB 3.3Å; V36-K39 WeakPolarHBondContact O-CB 3.17Å; V36-K39 PolarHBondContact O-N 3.21Å; V36-L192 HydrophobicContact CG2-CD1 4.01Å | ||
| 37 | V | 75.9 | Confident | 70.1 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -52.5 | -38.2 | -177.9 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | A31 K39 W40 | A31-V37 HydrophobicContact CB-CB 4.3Å; A31-V37 PolarHBondContact O-N 3.06Å; V37-K39 PolarHBondContact O-N 2.93Å; V37-W40 PolarHBondContact O-N 3.38Å; V37-W40 VanDerWaalsContact O-O 3.13Å |
| 38 | D | 74.7 | Confident | 68.2 | Low | 113 Ų | 113 | 44.6 Ų | 44.6 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -66.8 | -17.1 | 178.2 | -56.1 | -58.6 | 0 | 0 | 0 | 114 | V36 W40 | V36-D38 PolarHBondContact O-N 3.3Å; V36-D38 VanDerWaalsContact O-N 3.17Å; D38-W40 VanDerWaalsContact C-N 3.34Å |
| 39 | K | 77.7 | Confident | 66 | Low | 112 Ų | 112 | 47 Ų | 47 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -83.4 | -10.5 | 173.1 | -57 | 179.5 | -179.5 | 174 | 0 | 112.7 | S6 K7 V36 V37 | S6-K39 CarbonylContact C-O 3.47Å; S6-K39 VanDerWaalsContact CA-O 3.3Å; S6-K39 WeakPolarHBondContact CA-O 3.18Å; K7-K39 PolarHBondContact N-O 3.18Å; V36-K39 HydrophobicContact CB-CD 4.21Å; V36-K39 HydrophobicContact CG1-CD 4.24Å; V36-K39 VanDerWaalsContact O-CB 3.3Å; V36-K39 WeakPolarHBondContact O-CB 3.17Å; V36-K39 PolarHBondContact O-N 3.21Å; V37-K39 PolarHBondContact O-N 2.93Å |
| 40 | W | 73.8 | Confident | 63.7 | Low | 17 Ų | 17 | 53.4 Ų | 53.4 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.3 | -170.3 | -74.6 | 98.2 | 0 | 0 | 0 | 113.1 | K7 V9 F27 V37 D38 I42 F191 L192 N195 | K7-W40 HydrophobicContact CB-CD2 3.95Å; K7-W40 HydrophobicContact CB-CE3 3.58Å; K7-W40 HydrophobicContact CB-CH2 3.95Å; K7-W40 HydrophobicContact CB-CZ2 4.28Å; K7-W40 HydrophobicContact CB-CZ3 3.58Å; K7-W40 HydrophobicContact CD-CH2 4.05Å; K7-W40 HydrophobicContact CD-CZ2 3.97Å; K7-W40 CarbonylContact O-C 3.3Å; K7-W40 VanDerWaalsContact O-CA 3.29Å; K7-W40 WeakPolarHBondContact O-CA 3.46Å; V9-W40 HydrophobicContact CB-CE3 4.48Å; V9-W40 HydrophobicContact CB-CZ3 4.19Å; V9-W40 HydrophobicContact CG1-CE3 4.09Å; V9-W40 HydrophobicContact CG1-CZ3 4.22Å; F27-W40 HydrophobicContact CE1-CD2 4.06Å; F27-W40 HydrophobicContact CE1-CE3 4.09Å; F27-W40 HydrophobicContact CE1-CG 4.31Å; F27-W40 AromaticContact CZ-CD2 3.94Å; F27-W40 HydrophobicContact CZ-CD2 3.94Å; F27-W40 AromaticContact CZ-CE2 3.98Å; F27-W40 HydrophobicContact CZ-CE3 4.06Å; F27-W40 HydrophobicContact CZ-CG 4.48Å; F27-W40 HydrophobicContact CZ-CH2 4.25Å; F27-W40 HydrophobicContact CZ-CZ2 4.13Å; F27-W40 HydrophobicContact CZ-CZ3 4.21Å; V37-W40 PolarHBondContact O-N 3.38Å; V37-W40 VanDerWaalsContact O-O 3.13Å; D38-W40 VanDerWaalsContact C-N 3.34Å; W40-I42 HydrophobicContact CB-CD1 4.25Å; W40-I42 HydrophobicContact CB-CG1 3.88Å; W40-F191 AromaticContact CH2-CE1 3.6Å; W40-F191 HydrophobicContact CH2-CE1 3.6Å; W40-F191 AromaticContact CH2-CZ 3.92Å; W40-F191 HydrophobicContact CH2-CZ 3.92Å; W40-F191 AromaticContact CZ3-CE1 3.85Å; W40-F191 HydrophobicContact CZ3-CE1 3.85Å; W40-F191 HydrophobicContact CZ3-CZ 4.16Å; W40-L192 HydrophobicContact CZ2-CD1 4.13Å; W40-N195 HydrophobicContact CH2-CB 3.74Å; W40-N195 HydrophobicContact CZ2-CB 3.85Å; W40-N195 VanDerWaalsContact CZ2-O 3.27Å; W40-N195 WeakPolarHBondContact CZ2-O 3.08Å |
| 41 | R | 70.3 | Confident | 61.1 | Low | 85 Ų | 85 | 59 Ų | 59 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 102.2 | 161.3 | 179.7 | -176.7 | 172.8 | -176.1 | -5.6 | 108.6 | K7 S8 V9 D43 F124 | K7-R41 PolarHBondContact O-N 2.73Å; S8-R41 VanDerWaalsContact CA-O 3.25Å; S8-R41 WeakPolarHBondContact CA-O 3.15Å; V9-R41 PolarHBondContact N-O 2.93Å; R41-D43 IonicContact NH2-OD2 4Å; R41-F124 HydrophobicContact CG-CE1 4.14Å; R41-F124 HydrophobicContact CG-CZ 4.4Å |
| 42 | I | 60.9 | Low | 58.7 | Low | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.6 | -177.5 | -52.9 | 168.8 | 0 | 0 | 0 | 108.1 | V9 F11 E24 F27 A31 W40 I80 | V9-I42 HydrophobicContact CG1-CG1 4.37Å; V9-I42 HydrophobicContact CG1-CG2 4.37Å; F11-I42 HydrophobicContact CE2-CG2 4.3Å; E24-I42 HydrophobicContact CG-CG2 4.07Å; F27-I42 HydrophobicContact CD1-CD1 3.63Å; F27-I42 HydrophobicContact CD1-CG1 3.8Å; F27-I42 HydrophobicContact CD1-CG2 4.01Å; F27-I42 HydrophobicContact CE1-CD1 3.84Å; F27-I42 HydrophobicContact CE1-CG1 3.8Å; A31-I42 HydrophobicContact CB-CD1 4.21Å; W40-I42 HydrophobicContact CB-CD1 4.25Å; W40-I42 HydrophobicContact CB-CG1 3.88Å; I42-I80 WeakPolarHBondContact O-CA 2.75Å |
| 43 | D | 53 | Low | 56.4 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 175.5 | -174.1 | -157 | -23.5 | 0 | 0 | 0 | 109.2 | V9 L10 F11 R41 V79 D81 R114 F124 | V9-D43 PolarHBondContact O-N 2.65Å; L10-D43 VanDerWaalsContact CA-O 3.23Å; L10-D43 WeakPolarHBondContact CA-O 3.41Å; L10-D43 HydrophobicContact CD1-CB 4.17Å; F11-D43 PolarHBondContact N-O 3.28Å; R41-D43 IonicContact NH2-OD2 4Å; D43-V79 WeakPolarHBondContact OD2-CG1 3.09Å; D43-D81 CarbonylContact C-O 3.59Å; D43-D81 WeakPolarHBondContact OD1-CB 3.48Å; D43-R114 IonicContact OD1-CZ 3.51Å; D43-R114 IonicContact OD1-NE 3.01Å; D43-R114 IonicContact OD1-NH2 3.42Å; D43-R114 PolarHBondContact OD1-NH2 3.01Å; D43-R114 IonicContact OD2-NH2 2.78Å; D43-R114 PolarHBondContact OD2-NH2 2.82Å; D43-F124 HydrophobicContact CB-CD1 4.44Å; D43-F124 HydrophobicContact CB-CE1 3.35Å; D43-F124 HydrophobicContact CB-CE2 4.1Å; D43-F124 HydrophobicContact CB-CZ 3.16Å; D43-F124 WeakPolarHBondContact OD2-CZ 3.19Å |
| 44 | S | 41.4 | Very low | 54 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -168.9 | 159.4 | 170.8 | 9.3 | 0 | 0 | 0 | 0 | 114.6 | F11 D81 S82 G83 R114 | F11-S44 WeakPolarHBondContact O-CB 3.45Å; S44-D81 PolarHBondContact N-O 3.31Å; S44-D81 PolarHBondContact OG-O 2.6Å; S44-S82 VanDerWaalsContact CB-CB 3.44Å; S44-S82 CarbonylContact O-C 3.52Å; S44-S82 WeakPolarHBondContact O-CA 3.36Å; S44-S82 PolarHBondContact O-N 2.64Å; S44-S82 WeakPolarHBondContact OG-CA 3.22Å; S44-S82 WeakPolarHBondContact OG-CB 3.39Å; S44-G83 VanDerWaalsContact C-N 3.27Å; S44-G83 PolarHBondContact O-N 2.95Å; S44-R114 WeakPolarHBondContact O-CG 3.1Å; S44-R114 VanDerWaalsContact O-CZ 3.3Å; S44-R114 PolarHBondContact O-NE 2.93Å; S44-R114 PolarHBondContact O-NH2 2.93Å | ||
| 45 | A | 40.3 | Very low | 51.5 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -157.8 | 161.3 | -162 | 0 | 0 | 0 | 0 | 0 | 117.9 | L10 G83 A84 R114 Q115 V116 | L10-A45 HydrophobicContact CD1-CB 4.07Å; L10-A45 HydrophobicContact CD2-CB 4.18Å; L10-A45 HydrophobicContact CG-CB 4.46Å; A45-G83 VanDerWaalsContact CA-CA 3.41Å; A45-G83 VanDerWaalsContact N-N 3.13Å; A45-G83 CarbonylContact O-C 3.12Å; A45-G83 VanDerWaalsContact O-CA 3.25Å; A45-G83 WeakPolarHBondContact O-CA 3.45Å; A45-A84 VanDerWaalsContact C-N 3.29Å; A45-A84 PolarHBondContact O-N 2.96Å; A45-R114 CarbonylContact C-O 3.14Å; A45-R114 VanDerWaalsContact C-O 3.3Å; A45-R114 WeakPolarHBondContact CA-O 3.48Å; A45-R114 VanDerWaalsContact CB-CZ 3.44Å; A45-R114 VanDerWaalsContact CB-NH1 3.28Å; A45-Q115 WeakPolarHBondContact CB-O 3.46Å; A45-V116 HydrophobicContact CB-CB 3.79Å; A45-V116 HydrophobicContact CB-CG1 4.2Å; A45-V116 HydrophobicContact CB-CG2 3.71Å; A45-V116 WeakPolarHBondContact O-CG2 3.24Å | ||
| 46 | A | 36.9 | Very low | 49.2 | Very low | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -128.6 | 144.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 122 | S48 A84 R114 Q115 V116 | A46-S48 PolarHBondContact O-N 3.34Å; A46-A84 CarbonylContact C-O 2.88Å; A46-A84 VanDerWaalsContact CA-C 3.47Å; A46-A84 WeakPolarHBondContact CA-O 3.17Å; A46-A84 VanDerWaalsContact CB-CA 3.45Å; A46-A84 HydrophobicContact CB-CB 3.32Å; A46-A84 WeakPolarHBondContact CB-O 3.43Å; A46-R114 WeakPolarHBondContact CA-O 3.35Å; A46-R114 WeakPolarHBondContact CB-O 3.2Å; A46-R114 PolarHBondContact N-O 3.22Å; A46-Q115 VanDerWaalsContact C-NE2 3.35Å; A46-Q115 HydrophobicContact CB-CB 4.28Å; A46-Q115 HydrophobicContact CB-CG 3.8Å; A46-Q115 VanDerWaalsContact N-C 3.29Å; A46-Q115 CarbonylContact O-C 3.47Å; A46-Q115 WeakPolarHBondContact O-CA 3.26Å; A46-Q115 WeakPolarHBondContact O-CB 3.25Å; A46-Q115 WeakPolarHBondContact O-CG 3.09Å; A46-Q115 PolarHBondContact O-NE2 2.73Å; A46-Q115 VanDerWaalsContact O-NE2 3.12Å; A46-V116 VanDerWaalsContact N-CG2 3.25Å; A46-V116 PolarHBondContact O-N 3.41Å |
| 47 | T | 40.8 | Very low | 47.1 | Very low | 18 Ų | 18 | 75.4 Ų | 75.4 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | trans | -103.6 | 60.7 | -151.9 | 70.1 | 0 | 0 | 0 | 0 | 124.5 | A84 T85 V116 K141 | T47-A84 PolarHBondContact N-O 3.17Å; T47-T85 PolarHBondContact OG1-O 2.92Å; T47-V116 HydrophobicContact CG2-CB 3.82Å; T47-V116 HydrophobicContact CG2-CG2 3.48Å; T47-V116 VanDerWaalsContact CG2-CG2 3.48Å; T47-K141 VanDerWaalsContact CB-NZ 3.26Å; T47-K141 HydrophobicContact CG2-CD 3.51Å; T47-K141 PolarHBondContact O-NZ 2.96Å; T47-K141 WeakPolarHBondContact OG1-CE 3.11Å; T47-K141 PolarHBondContact OG1-NZ 3.03Å | ||
| 48 | S | 44.6 | Very low | 45.5 | Very low | 56 Ų | 56 | 79.2 Ų | 79.2 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | trans | -153.4 | -166.5 | 177.2 | -163.3 | 0 | 0 | 0 | 0 | 115.2 | A46 Q115 | A46-S48 PolarHBondContact O-N 3.34Å; S48-Q115 PolarHBondContact O-OE1 2.94Å | ||
| 49 | T | 36.8 | Very low | 43.8 | Very low | 107 Ų | 107 | 82.5 Ų | 82.5 | 66% | 0.656 | 43% | 0.425 | S | S | * | . | trans | -148.8 | 11 | -166.8 | 57.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 50 | Y | 34.9 | Very low | 41.6 | Very low | 214 Ų | 214 | 79 Ų | 79 | 84% | 0.839 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -96.1 | 9.8 | -160.8 | -132.3 | -94 | 0 | 0 | 0 | 121.5 | ||
| 51 | E | 30.1 | Very low | 39.9 | Very low | 147 Ų | 147 | 83.3 Ų | 83.3 | 69% | 0.687 | 44% | 0.442 | S | S | * | . | trans | -142.4 | 61.7 | 173.6 | -78.8 | -65.9 | 163.2 | 0 | 0 | 112.4 | G53 N54 | E51-G53 PolarHBondContact O-N 3.01Å; E51-N54 PolarHBondContact OE2-ND2 2.65Å | ||
| 52 | I | 32.1 | Very low | 38.4 | Very low | 164 Ų | 164 | 82 Ų | 82 | 84% | 0.841 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 108 | 174.9 | -59.5 | 174.8 | 0 | 0 | 0 | 109.5 | ||
| 53 | G | 33.3 | Very low | 37.3 | Very low | 71 Ų | 71 | 85.1 Ų | 85.1 | 73% | 0.732 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136 | -4.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | E51 | E51-G53 PolarHBondContact O-N 3.01Š|
| 54 | N | 29.8 | Very low | 36.7 | Very low | 125 Ų | 125 | 90.5 Ų | 90.5 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 144.8 | -174 | -70.6 | -39.7 | 0 | 0 | 0 | 114.4 | E51 | E51-N54 PolarHBondContact OE2-ND2 2.65Š|
| 55 | T | 28.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 99.3 Ų | 99.3 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 155.3 | 174.3 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | D57 | T55-D57 PolarHBondContact O-N 2.73Š|
| 56 | P | 34.6 | Very low | 37 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 139.3 | 177.7 | -23.9 | 33.4 | 0 | 0 | 0 | 112 | H58 Q61 | P56-H58 PolarHBondContact O-N 2.82Å; P56-Q61 PolarHBondContact O-NE2 3.48Å |
| 57 | D | 39.5 | Very low | 37 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 133.9 | -175.3 | 175.1 | -106.6 | 0 | 0 | 0 | 113.2 | T55 R59 G60 Q61 | T55-D57 PolarHBondContact O-N 2.73Å; D57-R59 PolarHBondContact O-N 3.02Å; D57-R59 VanDerWaalsContact O-N 3.08Å; D57-R59 WeakPolarHBondContact OD1-CB 2.86Å; D57-R59 WeakPolarHBondContact OD1-CG 3.35Å; D57-R59 PolarHBondContact OD1-N 3.05Å; D57-G60 PolarHBondContact O-N 2.96Å; D57-Q61 PolarHBondContact O-N 3.09Å |
| 58 | H | 40.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54.9 | -28.9 | -175.2 | 69 | -63.8 | 0 | 0 | 0 | 114.2 | P56 Q61 A62 | P56-H58 PolarHBondContact O-N 2.82Å; H58-Q61 PolarHBondContact O-N 3.39Å; H58-A62 WeakPolarHBondContact O-CB 3.4Å; H58-A62 PolarHBondContact O-N 2.83Å |
| 59 | R | 39.4 | Very low | 35.9 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 68% | 0.683 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.8 | -34 | -179.4 | -51.7 | 176.9 | 175.9 | 175.2 | -1 | 111.3 | D57 A62 C63 | D57-R59 PolarHBondContact O-N 3.02Å; D57-R59 VanDerWaalsContact O-N 3.08Å; D57-R59 WeakPolarHBondContact OD1-CB 2.86Å; D57-R59 WeakPolarHBondContact OD1-CG 3.35Å; D57-R59 PolarHBondContact OD1-N 3.05Å; R59-A62 PolarHBondContact O-N 3.06Å; R59-C63 PolarHBondContact O-N 2.98Å |
| 60 | G | 33.1 | Very low | 35.7 | Very low | 39 Ų | 39 | 120.7 Ų | 120.7 | 40% | 0.402 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63 | -45 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | D57 A62 C63 M64 | D57-G60 PolarHBondContact O-N 2.96Å; G60-A62 PolarHBondContact O-N 3.27Å; G60-C63 PolarHBondContact O-N 3.24Å; G60-M64 PolarHBondContact O-N 3.2Å |
| 61 | Q | 36.7 | Very low | 35.7 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 176.7 | -55.3 | -174 | 24.8 | 0 | 0 | 112.1 | P56 D57 H58 C63 K65 | P56-Q61 PolarHBondContact O-NE2 3.48Å; D57-Q61 PolarHBondContact O-N 3.09Å; H58-Q61 PolarHBondContact O-N 3.39Å; Q61-C63 PolarHBondContact O-N 3.05Å; Q61-K65 WeakPolarHBondContact O-CB 2.91Å; Q61-K65 PolarHBondContact O-N 2.89Å; Q61-K65 VanDerWaalsContact O-N 3.15Å |
| 62 | A | 38.6 | Very low | 35.9 | Very low | 57 Ų | 57 | 116.8 Ų | 116.8 | 47% | 0.471 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.7 | -33.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H58 R59 G60 R66 | H58-A62 WeakPolarHBondContact O-CB 3.4Å; H58-A62 PolarHBondContact O-N 2.83Å; R59-A62 PolarHBondContact O-N 3.06Å; G60-A62 PolarHBondContact O-N 3.27Å; A62-R66 PolarHBondContact O-N 3.11Å |
| 63 | C | 37.5 | Very low | 35.9 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 47% | 0.473 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68 | -51.1 | 176.4 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | R59 G60 Q61 K65 R66 H67 | R59-C63 PolarHBondContact O-N 2.98Å; G60-C63 PolarHBondContact O-N 3.24Å; Q61-C63 PolarHBondContact O-N 3.05Å; C63-K65 VanDerWaalsContact C-N 3.31Å; C63-K65 PolarHBondContact O-N 3.42Å; C63-R66 WeakPolarHBondContact O-CB 2.78Å; C63-R66 PolarHBondContact O-N 3.05Å; C63-H67 PolarHBondContact O-CD2 3.05Å; C63-H67 PolarHBondContact O-N 3.41Å |
| 64 | M | 40.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66 | -34 | -177 | -67.2 | 178.5 | 176.3 | 0 | 0 | 112.6 | G60 R66 H67 G68 | G60-M64 PolarHBondContact O-N 3.2Å; M64-R66 VanDerWaalsContact C-N 3.26Å; M64-R66 PolarHBondContact O-N 3Å; M64-H67 PolarHBondContact O-N 2.91Å; M64-H67 VanDerWaalsContact O-N 3.13Å; M64-G68 PolarHBondContact O-N 2.94Å |
| 65 | K | 44.1 | Very low | 35.4 | Very low | 185 Ų | 185 | 117.2 Ų | 117.2 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.3 | -25.5 | 174.4 | -159.6 | 172.2 | -172.6 | 177.2 | 0 | 113.3 | Q61 C63 | Q61-K65 WeakPolarHBondContact O-CB 2.91Å; Q61-K65 PolarHBondContact O-N 2.89Å; Q61-K65 VanDerWaalsContact O-N 3.15Å; C63-K65 VanDerWaalsContact C-N 3.31Å; C63-K65 PolarHBondContact O-N 3.42Å |
| 66 | R | 44 | Very low | 35.1 | Very low | 220 Ų | 220 | 121.1 Ų | 121.1 | 83% | 0.83 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.7 | -22.9 | 172.9 | -88.4 | 179.1 | 166.6 | 160.5 | -3 | 114 | A62 C63 M64 | A62-R66 PolarHBondContact O-N 3.11Å; C63-R66 WeakPolarHBondContact O-CB 2.78Å; C63-R66 PolarHBondContact O-N 3.05Å; M64-R66 VanDerWaalsContact C-N 3.26Å; M64-R66 PolarHBondContact O-N 3Å |
| 67 | H | 37.6 | Very low | 34.7 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 67% | 0.667 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 11.5 | -177.1 | -69.4 | -69.9 | 0 | 0 | 0 | 113.9 | C63 M64 V69 | C63-H67 PolarHBondContact O-CD2 3.05Å; C63-H67 PolarHBondContact O-N 3.41Å; M64-H67 PolarHBondContact O-N 2.91Å; M64-H67 VanDerWaalsContact O-N 3.13Å; H67-V69 VanDerWaalsContact C-N 3.25Å; H67-V69 PolarHBondContact O-N 3.39Å |
| 68 | G | 30 | Very low | 34 | Very low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.6 | 19.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M64 P70 | M64-G68 PolarHBondContact O-N 2.94Å; G68-P70 WeakPolarHBondContact O-CD 2.95Å |
| 69 | V | 32.9 | Very low | 33.6 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | trans | -85.9 | 109.3 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | H67 M71 | H67-V69 VanDerWaalsContact C-N 3.25Å; H67-V69 PolarHBondContact O-N 3.39Å; V69-M71 PolarHBondContact O-N 2.81Å | ||
| 70 | P | 31.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 65% | 0.653 | S | S | * | * | trans | -73.4 | 117.5 | 177.5 | 29.7 | -33.5 | 0 | 0 | 0 | 110.4 | G68 S72 | G68-P70 WeakPolarHBondContact O-CD 2.95Å; P70-S72 VanDerWaalsContact C-N 3.33Å; P70-S72 PolarHBondContact O-N 3.48Å | ||
| 71 | M | 35.9 | Very low | 33.8 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 86% | 0.862 | 65% | 0.645 | S | S | * | * | trans | -80.4 | 80.2 | 175.3 | -173.3 | 167.9 | 171.4 | 0 | 0 | 110.8 | V69 | V69-M71 PolarHBondContact O-N 2.81Š| ||
| 72 | S | 32.7 | Very low | 33.7 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | trans | -115.4 | 71.2 | 168.7 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | P70 | P70-S72 VanDerWaalsContact C-N 3.33Å; P70-S72 PolarHBondContact O-N 3.48Å | ||
| 73 | H | 33.4 | Very low | 33.9 | Very low | 163 Ų | 163 | 116 Ų | 116 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | trans | -103.5 | 104.5 | 175.9 | -155 | 87 | 0 | 0 | 0 | 110.8 | A75 | H73-A75 PolarHBondContact O-N 3.34Š| ||
| 74 | V | 24.9 | Very low | 34 | Very low | 111 Ų | 111 | 112.8 Ų | 112.8 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | trans | -73.9 | 116.9 | 164.9 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | R76 | V74-R76 HydrophobicContact CG1-CG 4.46Å; V74-R76 PolarHBondContact O-N 2.84Å | ||
| 75 | A | 27.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 108.2 Ų | 108.2 | 78% | 0.777 | 56% | 0.556 | S | S | * | * | trans | -58.6 | 106.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H73 | H73-A75 PolarHBondContact O-N 3.34Š| ||
| 76 | R | 21.9 | Very low | 33.7 | Very low | 203 Ų | 203 | 100.2 Ų | 100.2 | 77% | 0.766 | 52% | 0.523 | S | S | * | . | trans | -116.1 | 85.7 | 178.4 | -77.5 | -173.6 | 172.1 | 174.6 | -1.4 | 111 | V74 W78 | V74-R76 HydrophobicContact CG1-CG 4.46Å; V74-R76 PolarHBondContact O-N 2.84Å; R76-W78 PolarHBondContact O-N 2.8Å | ||
| 77 | Q | 25.9 | Very low | 33.5 | Very low | 183 Ų | 183 | 94 Ų | 94 | 86% | 0.855 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 32.2 | 56.5 | 146.8 | -156.2 | 177.9 | 3 | 0 | 0 | 118.8 | ||
| 78 | W | 24.8 | Very low | 34 | Very low | 198 Ų | 198 | 97.6 Ų | 97.6 | 75% | 0.75 | 51% | 0.514 | S | S | * | . | trans | -137.7 | 109.2 | 153.1 | -63.7 | 84.4 | 0 | 0 | 0 | 106.8 | R76 | R76-W78 PolarHBondContact O-N 2.8Š| ||
| 79 | V | 33.9 | Very low | 34.7 | Very low | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | trans | -100.5 | 117.3 | -171 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | D43 | D43-V79 WeakPolarHBondContact OD2-CG1 3.09Š| ||
| 80 | I | 33.1 | Very low | 35.6 | Very low | 81 Ų | 81 | 95.3 Ų | 95.3 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | trans | -145.2 | 123.8 | -170.7 | -71.1 | 160.1 | 0 | 0 | 0 | 107.2 | E24 I42 | E24-I80 WeakPolarHBondContact OE1-CG2 3.49Å; I42-I80 WeakPolarHBondContact O-CA 2.75Å | ||
| 81 | D | 43 | Very low | 36.8 | Very low | 42 Ų | 42 | 92.1 Ų | 92.1 | 23% | 0.225 | 47% | 0.473 | C | S | . | . | trans | -164.2 | 177.5 | -174.9 | -140.2 | -28.6 | 0 | 0 | 0 | 112.9 | D43 S44 H111 R114 | D43-D81 CarbonylContact C-O 3.59Å; D43-D81 WeakPolarHBondContact OD1-CB 3.48Å; S44-D81 PolarHBondContact N-O 3.31Å; S44-D81 PolarHBondContact OG-O 2.6Å; D81-H111 IonicContact OD1-CE1 3.42Å; D81-H111 PolarHBondContact OD1-CE1 3.39Å; D81-H111 IonicContact OD1-ND1 2.94Å; D81-H111 PolarHBondContact OD1-ND1 2.92Å; D81-R114 HydrophobicContact CB-CG 4.17Å; D81-R114 VanDerWaalsContact CG-CG 3.45Å; D81-R114 WeakPolarHBondContact OD2-CD 3.37Å; D81-R114 VanDerWaalsContact OD2-CG 3.31Å; D81-R114 WeakPolarHBondContact OD2-CG 3.35Å; D81-R114 IonicContact OD2-NE 2.76Å | ||
| 82 | S | 34.3 | Very low | 37.5 | Very low | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 45% | 0.447 | C | S | . | . | trans | -146.6 | 162.6 | 167.6 | 82 | 0 | 0 | 0 | 0 | 119.7 | N16 S44 H111 R114 | N16-S82 VanDerWaalsContact CG-C 3.43Å; N16-S82 VanDerWaalsContact ND2-C 3.32Å; N16-S82 WeakPolarHBondContact ND2-CB 3.45Å; N16-S82 PolarHBondContact ND2-OG 2.83Å; N16-S82 PolarHBondContact OD1-O 3.12Å; S44-S82 VanDerWaalsContact CB-CB 3.44Å; S44-S82 CarbonylContact O-C 3.52Å; S44-S82 WeakPolarHBondContact O-CA 3.36Å; S44-S82 PolarHBondContact O-N 2.64Å; S44-S82 WeakPolarHBondContact OG-CA 3.22Å; S44-S82 WeakPolarHBondContact OG-CB 3.39Å; S82-H111 WeakPolarHBondContact CA-CE1 3.03Å; S82-H111 PolarHBondContact N-CE1 3.14Å; S82-H111 PolarHBondContact N-ND1 2.96Å; S82-H111 PolarHBondContact O-CE1 2.86Å; S82-H111 PolarHBondContact O-NE2 2.96Å; S82-H111 PolarHBondContact OG-CD2 2.87Å; S82-H111 PolarHBondContact OG-CE1 3.15Å; S82-H111 PolarHBondContact OG-ND1 2.9Å; S82-H111 VanDerWaalsContact OG-ND1 3.11Å; S82-H111 PolarHBondContact OG-NE2 3.39Å; S82-R114 VanDerWaalsContact O-CG 3.31Å; S82-R114 WeakPolarHBondContact O-CG 3.39Å; S82-R114 PolarHBondContact O-N 3.45Å | ||
| 83 | G | 43.1 | Very low | 38.9 | Very low | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | -174.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 121 | C13 N16 S20 S44 A45 | C13-G83 PolarHBondContact N-O 3.1Å; N16-G83 VanDerWaalsContact CB-CA 3.43Å; N16-G83 WeakPolarHBondContact CB-O 3.3Å; N16-G83 VanDerWaalsContact CG-C 3.45Å; N16-G83 WeakPolarHBondContact ND2-CA 3.2Å; N16-G83 PolarHBondContact ND2-N 2.82Å; N16-G83 PolarHBondContact ND2-O 3.5Å; N16-G83 VanDerWaalsContact OD1-CA 3.24Å; N16-G83 WeakPolarHBondContact OD1-CA 3.42Å; N16-G83 PolarHBondContact OD1-N 3.34Å; S20-G83 PolarHBondContact OG-O 3.06Å; S44-G83 VanDerWaalsContact C-N 3.27Å; S44-G83 PolarHBondContact O-N 2.95Å; A45-G83 VanDerWaalsContact CA-CA 3.41Å; A45-G83 VanDerWaalsContact N-N 3.13Å; A45-G83 CarbonylContact O-C 3.12Å; A45-G83 VanDerWaalsContact O-CA 3.25Å; A45-G83 WeakPolarHBondContact O-CA 3.45Å |
| 84 | A | 38.8 | Very low | 40.5 | Very low | 2 Ų | 2 | 76.9 Ų | 76.9 | 2% | 0.017 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 126.9 | -135.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | C13 L14 G15 N16 A45 A46 T47 S86 | C13-A84 CarbonylContact O-C 3.57Å; C13-A84 VanDerWaalsContact O-C 3.23Å; C13-A84 WeakPolarHBondContact O-CA 3.19Å; L14-A84 CarbonylContact O-C 3.59Å; L14-A84 VanDerWaalsContact O-CA 3.26Å; L14-A84 WeakPolarHBondContact O-CA 3.31Å; L14-A84 WeakPolarHBondContact O-CB 3.27Å; G15-A84 VanDerWaalsContact C-CB 3.45Å; N16-A84 HydrophobicContact CB-CB 3.35Å; A45-A84 VanDerWaalsContact C-N 3.29Å; A45-A84 PolarHBondContact O-N 2.96Å; A46-A84 CarbonylContact C-O 2.88Å; A46-A84 VanDerWaalsContact CA-C 3.47Å; A46-A84 WeakPolarHBondContact CA-O 3.17Å; A46-A84 VanDerWaalsContact CB-CA 3.45Å; A46-A84 HydrophobicContact CB-CB 3.32Å; A46-A84 WeakPolarHBondContact CB-O 3.43Å; T47-A84 PolarHBondContact N-O 3.17Å; A84-S86 PolarHBondContact O-N 3.2Å; A84-S86 VanDerWaalsContact O-N 3.15Å |
| 85 | T | 38.6 | Very low | 42.7 | Very low | 19 Ų | 19 | 72.6 Ų | 72.6 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -70.1 | -5.4 | 172.8 | 71.6 | 0 | 0 | 0 | 0 | 115.8 | V12 C13 L14 T47 N134 | V12-T85 HydrophobicContact CG1-CG2 3.89Å; C13-T85 PolarHBondContact O-N 3.18Å; L14-T85 WeakPolarHBondContact CA-OG1 3.32Å; L14-T85 WeakPolarHBondContact CD1-OG1 3.29Å; L14-T85 CarbonylContact O-C 3.22Å; L14-T85 PolarHBondContact O-N 3.03Å; T47-T85 PolarHBondContact OG1-O 2.92Å; T85-N134 HydrophobicContact CG2-CB 4.21Å; T85-N134 PolarHBondContact OG1-ND2 3.35Å |
| 86 | S | 40 | Very low | 44.9 | Very low | 17 Ų | 17 | 73.5 Ų | 73.5 | 12% | 0.119 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -116.6 | 167.6 | 169.4 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | L14 A84 | L14-S86 PolarHBondContact O-N 3.48Å; L14-S86 PolarHBondContact O-OG 2.98Å; A84-S86 PolarHBondContact O-N 3.2Å; A84-S86 VanDerWaalsContact O-N 3.15Å |
| 87 | D | 40.3 | Very low | 47.3 | Very low | 89 Ų | 89 | 67 Ų | 67 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -101.1 | -22.7 | -174.5 | 58.1 | -13.2 | 0 | 0 | 0 | 114.7 | N89 T90 | D87-N89 PolarHBondContact O-N 3.31Å; D87-T90 PolarHBondContact O-N 3.21Å; D87-T90 VanDerWaalsContact O-N 3.14Å; D87-T90 PolarHBondContact O-OG1 2.83Å |
| 88 | W | 47 | Very low | 49.4 | Very low | 220 Ų | 220 | 58.3 Ų | 58.3 | 83% | 0.833 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -23.4 | -176.4 | -71.4 | -48.5 | 0 | 0 | 0 | 116.9 | ||
| 89 | N | 46.2 | Very low | 51.6 | Low | 39 Ų | 39 | 50.2 Ų | 50.2 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 5 | -171.3 | -62.8 | 98.7 | 0 | 0 | 0 | 114.4 | G15 I17 D87 G91 S92 A113 | G15-N89 WeakPolarHBondContact O-CB 3.34Å; I17-N89 HydrophobicContact CG2-CB 3.76Å; D87-N89 PolarHBondContact O-N 3.31Å; N89-G91 PolarHBondContact O-N 2.73Å; N89-S92 WeakPolarHBondContact O-CA 3.46Å; N89-S92 WeakPolarHBondContact O-CB 3.41Å; N89-S92 PolarHBondContact O-N 3.43Å; N89-S92 PolarHBondContact O-OG 3.14Å; N89-A113 WeakPolarHBondContact O-CB 3.23Å |
| 90 | T | 52 | Low | 53.5 | Low | 75 Ų | 75 | 49.1 Ų | 49.1 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 131.7 | -176.1 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | D87 S92 A113 Q115 | D87-T90 PolarHBondContact O-N 3.21Å; D87-T90 VanDerWaalsContact O-N 3.14Å; D87-T90 PolarHBondContact O-OG1 2.83Å; T90-S92 PolarHBondContact O-N 2.98Å; T90-A113 CarbonylContact C-O 3.55Å; T90-A113 WeakPolarHBondContact CA-O 3.38Å; T90-Q115 HydrophobicContact CG2-CG 4.39Å |
| 91 | G | 55.6 | Low | 55.4 | Low | 39 Ų | 39 | 45.6 Ų | 45.6 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -11.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N89 R112 A113 | N89-G91 PolarHBondContact O-N 2.73Å; G91-R112 PolarHBondContact O-NH1 3.05Å; G91-A113 PolarHBondContact N-O 3.17Å |
| 92 | S | 51.7 | Low | 56.8 | Low | 47 Ų | 47 | 43.7 Ų | 43.7 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -70.3 | 152.6 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | N89 T90 R112 A113 | N89-S92 WeakPolarHBondContact O-CA 3.46Å; N89-S92 WeakPolarHBondContact O-CB 3.41Å; N89-S92 PolarHBondContact O-N 3.43Å; N89-S92 PolarHBondContact O-OG 3.14Å; T90-S92 PolarHBondContact O-N 2.98Å; S92-R112 WeakPolarHBondContact O-CA 3.5Å; S92-A113 PolarHBondContact O-N 2.98Å |
| 93 | S | 61.1 | Low | 58.9 | Low | 67 Ų | 67 | 51.8 Ų | 51.8 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 160.5 | 164.1 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 94 | P | 67.1 | Low | 60.5 | Low | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 156.8 | 172 | -22 | 30.5 | 0 | 0 | 0 | 113.4 | I17 P21 T96 L99 T109 H111 | I17-P94 CarbonylContact O-C 3.53Å; I17-P94 WeakPolarHBondContact O-CA 3.13Å; P21-P94 HydrophobicContact CB-CB 4.21Å; P21-P94 HydrophobicContact CB-CG 3.92Å; P21-P94 HydrophobicContact CG-CB 4.27Å; P21-P94 HydrophobicContact CG-CG 4.18Å; P94-T96 PolarHBondContact O-N 3.07Å; P94-L99 HydrophobicContact CB-CD2 3.83Å; P94-L99 HydrophobicContact CB-CG 3.97Å; P94-L99 HydrophobicContact CG-CD2 3.91Å; P94-L99 WeakPolarHBondContact O-CD1 3.38Å; P94-T109 HydrophobicContact CG-CG2 4.37Å; P94-H111 WeakPolarHBondContact CD-O 3.39Å; P94-H111 HydrophobicContact CG-CB 4.1Å |
| 95 | D | 71.4 | Confident | 62.3 | Low | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -53 | 134.5 | 175 | -174.5 | -58 | 0 | 0 | 0 | 109.5 | I17 R97 G98 L99 F177 | I17-D95 HydrophobicContact CB-CB 4.22Å; I17-D95 WeakPolarHBondContact O-CB 3.5Å; I17-D95 PolarHBondContact O-N 3.48Å; D95-R97 PolarHBondContact O-N 3.02Å; D95-R97 VanDerWaalsContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.24Å; D95-R97 WeakPolarHBondContact OD1-CG 3.07Å; D95-R97 IonicContact OD1-CZ 2.71Å; D95-R97 PolarHBondContact OD1-N 3.48Å; D95-R97 IonicContact OD1-NE 3.2Å; D95-R97 PolarHBondContact OD1-NE 2.87Å; D95-R97 IonicContact OD1-NH2 2.78Å; D95-R97 IonicContact OD2-CZ 3.85Å; D95-R97 IonicContact OD2-NE 3.42Å; D95-R97 PolarHBondContact OD2-NE 2.67Å; D95-R97 IonicContact OD2-NH2 3.52Å; D95-R97 PolarHBondContact OD2-NH2 2.91Å; D95-G98 WeakPolarHBondContact O-CA 2.9Å; D95-G98 PolarHBondContact O-N 3.49Å; D95-L99 PolarHBondContact O-N 3.47Å; D95-F177 HydrophobicContact CB-CE1 4.34Å; D95-F177 HydrophobicContact CB-CZ 4.47Å |
| 96 | T | 73.4 | Confident | 64.2 | Low | 113 Ų | 113 | 64.2 Ų | 64.2 | 69% | 0.693 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.1 | -27.7 | -175.3 | 47.7 | 0 | 0 | 0 | 0 | 113 | P94 A100 | P94-T96 PolarHBondContact O-N 3.07Å; T96-A100 VanDerWaalsContact O-CB 3.3Å; T96-A100 WeakPolarHBondContact O-CB 3.16Å; T96-A100 PolarHBondContact O-N 3.14Å |
| 97 | R | 72.9 | Confident | 65.8 | Low | 66 Ų | 66 | 63.9 Ų | 63.9 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 172.7 | -60.4 | 170 | -72.3 | 176.2 | -1.9 | 111.3 | D95 A100 C101 Y170 G172 D174 F177 | D95-R97 PolarHBondContact O-N 3.02Å; D95-R97 VanDerWaalsContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.24Å; D95-R97 WeakPolarHBondContact OD1-CG 3.07Å; D95-R97 IonicContact OD1-CZ 2.71Å; D95-R97 PolarHBondContact OD1-N 3.48Å; D95-R97 IonicContact OD1-NE 3.2Å; D95-R97 PolarHBondContact OD1-NE 2.87Å; D95-R97 IonicContact OD1-NH2 2.78Å; D95-R97 IonicContact OD2-CZ 3.85Å; D95-R97 IonicContact OD2-NE 3.42Å; D95-R97 PolarHBondContact OD2-NE 2.67Å; D95-R97 IonicContact OD2-NH2 3.52Å; D95-R97 PolarHBondContact OD2-NH2 2.91Å; R97-A100 PolarHBondContact O-N 2.88Å; R97-C101 WeakPolarHBondContact O-CB 2.99Å; R97-C101 PolarHBondContact O-N 3.39Å; R97-Y170 PolarHBondContact NH1-O 2.89Å; R97-Y170 PolarHBondContact NH2-O 2.89Å; R97-G172 PolarHBondContact NH1-O 2.89Å; R97-D174 WeakPolarHBondContact CG-OD1 3.27Å; R97-F177 HydrophobicContact CB-CD1 4.28Å; R97-F177 HydrophobicContact CB-CD2 3.91Å; R97-F177 HydrophobicContact CB-CE1 4.15Å; R97-F177 HydrophobicContact CB-CE2 3.81Å; R97-F177 HydrophobicContact CB-CG 4.16Å; R97-F177 HydrophobicContact CB-CZ 3.92Å; R97-F177 HydrophobicContact CG-CE2 4.45Å; R97-F177 VanDerWaalsContact CZ-CE2 3.5Å |
| 98 | G | 68.2 | Low | 67.3 | Low | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D95 C101 L102 | D95-G98 WeakPolarHBondContact O-CA 2.9Å; D95-G98 PolarHBondContact O-N 3.49Å; G98-C101 PolarHBondContact O-N 3.45Å; G98-L102 WeakPolarHBondContact O-CG 3.31Å; G98-L102 PolarHBondContact O-N 3.33Å |
| 99 | L | 72 | Confident | 68.2 | Low | 28 Ų | 28 | 58.5 Ų | 58.5 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 173.3 | -66.3 | 177.1 | 0 | 0 | 0 | 112.5 | P94 D95 R103 T109 | P94-L99 HydrophobicContact CB-CD2 3.83Å; P94-L99 HydrophobicContact CB-CG 3.97Å; P94-L99 HydrophobicContact CG-CD2 3.91Å; P94-L99 WeakPolarHBondContact O-CD1 3.38Å; D95-L99 PolarHBondContact O-N 3.47Å; L99-R103 WeakPolarHBondContact O-CB 3.43Å; L99-R103 VanDerWaalsContact O-CG 3.22Å; L99-R103 WeakPolarHBondContact O-CG 3.23Å; L99-R103 PolarHBondContact O-N 2.81Å; L99-T109 HydrophobicContact CD2-CG2 3.78Å |
| 100 | A | 73 | Confident | 69.2 | Low | 56 Ų | 56 | 62.7 Ų | 62.7 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T96 R97 R103 K104 | T96-A100 VanDerWaalsContact O-CB 3.3Å; T96-A100 WeakPolarHBondContact O-CB 3.16Å; T96-A100 PolarHBondContact O-N 3.14Å; R97-A100 PolarHBondContact O-N 2.88Å; A100-R103 PolarHBondContact O-N 3.14Å; A100-K104 WeakPolarHBondContact O-CB 2.82Å; A100-K104 PolarHBondContact O-N 2.86Å |
| 101 | C | 73.6 | Confident | 69.8 | Low | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.054 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | R97 G98 R103 K104 H105 F177 | R97-C101 WeakPolarHBondContact O-CB 2.99Å; R97-C101 PolarHBondContact O-N 3.39Å; G98-C101 PolarHBondContact O-N 3.45Å; C101-R103 PolarHBondContact O-N 3.24Å; C101-K104 WeakPolarHBondContact O-CB 3.35Å; C101-K104 PolarHBondContact O-N 2.7Å; C101-K104 VanDerWaalsContact O-N 3.15Å; C101-H105 PolarHBondContact O-CD2 2.83Å; C101-H105 VanDerWaalsContact O-CD2 3.27Å; C101-H105 PolarHBondContact O-N 3.22Å; C101-F177 HydrophobicContact CB-CB 4.41Å |
| 102 | L | 72.9 | Confident | 70.2 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 177.6 | -73 | 173.6 | 0 | 0 | 0 | 112.4 | I22 A25 V26 G98 K104 H105 G106 I107 T109 Y181 | I22-L102 HydrophobicContact CG1-CD1 4.25Å; I22-L102 HydrophobicContact CG1-CD2 4.4Å; I22-L102 HydrophobicContact CG1-CG 4.23Å; I22-L102 HydrophobicContact CG2-CD2 4.37Å; A25-L102 HydrophobicContact CB-CD1 4.12Å; A25-L102 HydrophobicContact CB-CD2 4.13Å; V26-L102 HydrophobicContact CG2-CD2 4.5Å; G98-L102 WeakPolarHBondContact O-CG 3.31Å; G98-L102 PolarHBondContact O-N 3.33Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 2.98Å; L102-H105 CarbonylContact O-C 3.48Å; L102-H105 PolarHBondContact O-N 2.93Å; L102-H105 VanDerWaalsContact O-N 3.09Å; L102-G106 PolarHBondContact O-N 3.36Å; L102-I107 CarbonylContact C-O 3.57Å; L102-I107 HydrophobicContact CB-CB 4.24Å; L102-I107 HydrophobicContact CD2-CB 4.12Å; L102-I107 HydrophobicContact CD2-CD1 4.25Å; L102-I107 HydrophobicContact CD2-CG2 4.15Å; L102-I107 PolarHBondContact O-N 2.89Å; L102-T109 HydrophobicContact CD1-CG2 3.81Å; L102-Y181 HydrophobicContact CD2-CD2 4.36Å |
| 103 | R | 78 | Confident | 70.6 | Confident | 170 Ų | 170 | 62.5 Ų | 62.5 | 64% | 0.642 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.1 | -37.1 | 176.8 | -75.8 | 171.1 | 177.5 | 172 | 1.2 | 113.2 | L99 A100 C101 H105 G106 I107 | L99-R103 WeakPolarHBondContact O-CB 3.43Å; L99-R103 VanDerWaalsContact O-CG 3.22Å; L99-R103 WeakPolarHBondContact O-CG 3.23Å; L99-R103 PolarHBondContact O-N 2.81Å; A100-R103 PolarHBondContact O-N 3.14Å; C101-R103 PolarHBondContact O-N 3.24Å; R103-H105 PolarHBondContact O-N 3.46Å; R103-G106 PolarHBondContact O-N 2.99Å; R103-I107 PolarHBondContact N-O 2.95Å |
| 104 | K | 76.9 | Confident | 70.6 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.2 | -27.9 | 175.9 | -169 | -174.2 | 171.7 | -161.1 | 0 | 112 | A100 C101 L102 E178 | A100-K104 WeakPolarHBondContact O-CB 2.82Å; A100-K104 PolarHBondContact O-N 2.86Å; C101-K104 WeakPolarHBondContact O-CB 3.35Å; C101-K104 PolarHBondContact O-N 2.7Å; C101-K104 VanDerWaalsContact O-N 3.15Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 2.98Å; K104-E178 IonicContact NZ-OE2 2.68Å; K104-E178 PolarHBondContact NZ-OE2 2.83Å |
| 105 | H | 76.8 | Confident | 70.4 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 10.4 | 173.8 | -67.8 | -71.4 | 0 | 0 | 0 | 114.4 | C101 L102 R103 I107 E178 Y181 | C101-H105 PolarHBondContact O-CD2 2.83Å; C101-H105 VanDerWaalsContact O-CD2 3.27Å; C101-H105 PolarHBondContact O-N 3.22Å; L102-H105 CarbonylContact O-C 3.48Å; L102-H105 PolarHBondContact O-N 2.93Å; L102-H105 VanDerWaalsContact O-N 3.09Å; R103-H105 PolarHBondContact O-N 3.46Å; H105-I107 VanDerWaalsContact C-N 3.28Å; H105-I107 HydrophobicContact CB-CG1 4.3Å; H105-I107 PolarHBondContact O-N 2.78Å; H105-E178 IonicContact CD2-OE1 3.48Å; H105-E178 IonicContact CE1-OE1 3.78Å; H105-E178 PolarHBondContact CE1-OE1 3.44Å; H105-E178 IonicContact NE2-OE1 2.74Å; H105-E178 PolarHBondContact NE2-OE1 2.85Å; H105-E178 IonicContact NE2-OE2 3.81Å; H105-Y181 HydrophobicContact CB-CE1 4.39Å; H105-Y181 HydrophobicContact CB-CE2 4.06Å; H105-Y181 WeakPolarHBondContact CB-OH 3.33Å; H105-Y181 AromaticContact CD2-CD1 3.61Å; H105-Y181 AromaticContact CD2-CE1 3.35Å; H105-Y181 WeakPolarHBondContact CD2-CE1 3.33Å; H105-Y181 AromaticContact CD2-CE2 3.85Å; H105-Y181 AromaticContact CD2-CG 3.99Å; H105-Y181 AromaticContact CD2-CZ 3.47Å; H105-Y181 VanDerWaalsContact CD2-CZ 3.47Å; H105-Y181 AromaticContact CE1-CD1 3.94Å; H105-Y181 AromaticContact CE1-CE1 3.38Å; H105-Y181 WeakPolarHBondContact CE1-CE1 3.34Å; H105-Y181 AromaticContact CG-CE1 3.52Å; H105-Y181 AromaticContact CG-CE2 3.95Å; H105-Y181 AromaticContact CG-CZ 3.33Å; H105-Y181 AromaticContact ND1-CE1 3.55Å; H105-Y181 AromaticContact ND1-CZ 3.71Å; H105-Y181 AromaticContact NE2-CD1 3.4Å; H105-Y181 WeakPolarHBondContact NE2-CD1 3.23Å; H105-Y181 AromaticContact NE2-CE1 3.26Å; H105-Y181 VanDerWaalsContact NE2-CE1 3.26Å; H105-Y181 WeakPolarHBondContact NE2-CE1 3.44Å; H105-Y181 AromaticContact NE2-CZ 3.89Å |
| 106 | G | 77.6 | Confident | 70.5 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 23.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L102 R103 | L102-G106 PolarHBondContact O-N 3.36Å; R103-G106 PolarHBondContact O-N 2.99Å |
| 107 | I | 73.8 | Confident | 70.7 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | trans | -104.1 | 125.6 | 177.8 | -48.6 | -172.4 | 0 | 0 | 0 | 109.4 | A25 V26 K29 L102 R103 H105 Y181 | A25-I107 HydrophobicContact CB-CG2 3.75Å; V26-I107 HydrophobicContact CG2-CD1 4.06Å; K29-I107 HydrophobicContact CB-CD1 4.42Å; K29-I107 HydrophobicContact CD-CD1 3.95Å; K29-I107 HydrophobicContact CD-CG1 3.82Å; L102-I107 CarbonylContact C-O 3.57Å; L102-I107 HydrophobicContact CB-CB 4.24Å; L102-I107 HydrophobicContact CD2-CB 4.12Å; L102-I107 HydrophobicContact CD2-CD1 4.25Å; L102-I107 HydrophobicContact CD2-CG2 4.15Å; L102-I107 PolarHBondContact O-N 2.89Å; R103-I107 PolarHBondContact N-O 2.95Å; H105-I107 VanDerWaalsContact C-N 3.28Å; H105-I107 HydrophobicContact CB-CG1 4.3Å; H105-I107 PolarHBondContact O-N 2.78Å; I107-Y181 HydrophobicContact CD1-CE2 3.91Å | ||
| 108 | E | 72.7 | Confident | 71.1 | Confident | 164 Ų | 164 | 62.7 Ų | 62.7 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | trans | -107 | 146.8 | 171.4 | -62 | -163.3 | 106.4 | 0 | 0 | 110.8 | ||||
| 109 | T | 66.1 | Low | 71.7 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -140.8 | 137.9 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | P94 L99 L102 H111 | P94-T109 HydrophobicContact CG-CG2 4.37Å; L99-T109 HydrophobicContact CD2-CG2 3.78Å; L102-T109 HydrophobicContact CD1-CG2 3.81Å; T109-H111 VanDerWaalsContact C-N 3.34Å; T109-H111 VanDerWaalsContact OG1-CB 3.23Å; T109-H111 WeakPolarHBondContact OG1-CB 3.42Å; T109-H111 PolarHBondContact OG1-N 2.78Å | ||
| 110 | S | 67.4 | Low | 72.2 | Confident | 127 Ų | 127 | 65.4 Ų | 65.4 | 89% | 0.888 | 34% | 0.338 | S | S | * | . | trans | -99.6 | 18 | 174.8 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 111 | H | 63.4 | Low | 72.7 | Confident | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | trans | -57.5 | 147.2 | -171.1 | -179.5 | 51.5 | 0 | 0 | 0 | 114.7 | N16 D81 S82 P94 T109 A113 | N16-H111 PolarHBondContact OD1-NE2 2.87Å; D81-H111 IonicContact OD1-CE1 3.42Å; D81-H111 PolarHBondContact OD1-CE1 3.39Å; D81-H111 IonicContact OD1-ND1 2.94Å; D81-H111 PolarHBondContact OD1-ND1 2.92Å; S82-H111 WeakPolarHBondContact CA-CE1 3.03Å; S82-H111 PolarHBondContact N-CE1 3.14Å; S82-H111 PolarHBondContact N-ND1 2.96Å; S82-H111 PolarHBondContact O-CE1 2.86Å; S82-H111 PolarHBondContact O-NE2 2.96Å; S82-H111 PolarHBondContact OG-CD2 2.87Å; S82-H111 PolarHBondContact OG-CE1 3.15Å; S82-H111 PolarHBondContact OG-ND1 2.9Å; S82-H111 VanDerWaalsContact OG-ND1 3.11Å; S82-H111 PolarHBondContact OG-NE2 3.39Å; P94-H111 WeakPolarHBondContact CD-O 3.39Å; P94-H111 HydrophobicContact CG-CB 4.1Å; T109-H111 VanDerWaalsContact C-N 3.34Å; T109-H111 VanDerWaalsContact OG1-CB 3.23Å; T109-H111 WeakPolarHBondContact OG1-CB 3.42Å; T109-H111 PolarHBondContact OG1-N 2.78Å; H111-A113 WeakPolarHBondContact NE2-CA 3.5Å; H111-A113 PolarHBondContact NE2-N 3.38Å | ||
| 112 | R | 63.1 | Low | 73.2 | Confident | 145 Ų | 145 | 66.1 Ų | 66.1 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | trans | -137.3 | 123.3 | 173.2 | -67.5 | -169.7 | 169 | -74.5 | -7.2 | 112.2 | G91 S92 R114 | G91-R112 PolarHBondContact O-NH1 3.05Å; S92-R112 WeakPolarHBondContact O-CA 3.5Å; R112-R114 PolarHBondContact O-N 2.76Å | ||
| 113 | A | 60.9 | Low | 73.6 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | trans | -61.7 | 123.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N16 N89 T90 G91 S92 H111 | N16-A113 HydrophobicContact CB-CB 4.03Å; N16-A113 WeakPolarHBondContact OD1-CA 3.32Å; N16-A113 WeakPolarHBondContact OD1-CB 3.32Å; N89-A113 WeakPolarHBondContact O-CB 3.23Å; T90-A113 CarbonylContact C-O 3.55Å; T90-A113 WeakPolarHBondContact CA-O 3.38Å; G91-A113 PolarHBondContact N-O 3.17Å; S92-A113 PolarHBondContact O-N 2.98Å; H111-A113 WeakPolarHBondContact NE2-CA 3.5Å; H111-A113 PolarHBondContact NE2-N 3.38Å | ||
| 114 | R | 62.1 | Low | 73.9 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | trans | -132.1 | 159.8 | -170.7 | 79.5 | 128.9 | 178.8 | 127.9 | -5.4 | 115.9 | D43 S44 A45 A46 D81 S82 R112 D120 | D43-R114 IonicContact OD1-CZ 3.51Å; D43-R114 IonicContact OD1-NE 3.01Å; D43-R114 IonicContact OD1-NH2 3.42Å; D43-R114 PolarHBondContact OD1-NH2 3.01Å; D43-R114 IonicContact OD2-NH2 2.78Å; D43-R114 PolarHBondContact OD2-NH2 2.82Å; S44-R114 WeakPolarHBondContact O-CG 3.1Å; S44-R114 VanDerWaalsContact O-CZ 3.3Å; S44-R114 PolarHBondContact O-NE 2.93Å; S44-R114 PolarHBondContact O-NH2 2.93Å; A45-R114 CarbonylContact C-O 3.14Å; A45-R114 VanDerWaalsContact C-O 3.3Å; A45-R114 WeakPolarHBondContact CA-O 3.48Å; A45-R114 VanDerWaalsContact CB-CZ 3.44Å; A45-R114 VanDerWaalsContact CB-NH1 3.28Å; A46-R114 WeakPolarHBondContact CA-O 3.35Å; A46-R114 WeakPolarHBondContact CB-O 3.2Å; A46-R114 PolarHBondContact N-O 3.22Å; D81-R114 HydrophobicContact CB-CG 4.17Å; D81-R114 VanDerWaalsContact CG-CG 3.45Å; D81-R114 WeakPolarHBondContact OD2-CD 3.37Å; D81-R114 VanDerWaalsContact OD2-CG 3.31Å; D81-R114 WeakPolarHBondContact OD2-CG 3.35Å; D81-R114 IonicContact OD2-NE 2.76Å; S82-R114 VanDerWaalsContact O-CG 3.31Å; S82-R114 WeakPolarHBondContact O-CG 3.39Å; S82-R114 PolarHBondContact O-N 3.45Å; R112-R114 PolarHBondContact O-N 2.76Å; R114-D120 IonicContact CZ-OD1 3.91Å; R114-D120 IonicContact CZ-OD2 3.52Å; R114-D120 IonicContact NH1-OD1 3.52Å; R114-D120 PolarHBondContact NH1-OD1 3.46Å; R114-D120 VanDerWaalsContact NH1-OD1 3.08Å; R114-D120 IonicContact NH1-OD2 3.26Å; R114-D120 PolarHBondContact NH1-OD2 3.42Å; R114-D120 IonicContact NH2-OD1 3.98Å; R114-D120 PolarHBondContact NH2-OD1 2.7Å; R114-D120 IonicContact NH2-OD2 2.7Å | ||
| 115 | Q | 63.1 | Low | 74.5 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -50.3 | 116.2 | 174.8 | -30.2 | -146.9 | -73.8 | 0 | 0 | 121.5 | A45 A46 S48 T90 T117 | A45-Q115 WeakPolarHBondContact CB-O 3.46Å; A46-Q115 VanDerWaalsContact C-NE2 3.35Å; A46-Q115 HydrophobicContact CB-CB 4.28Å; A46-Q115 HydrophobicContact CB-CG 3.8Å; A46-Q115 VanDerWaalsContact N-C 3.29Å; A46-Q115 CarbonylContact O-C 3.47Å; A46-Q115 WeakPolarHBondContact O-CA 3.26Å; A46-Q115 WeakPolarHBondContact O-CB 3.25Å; A46-Q115 WeakPolarHBondContact O-CG 3.09Å; A46-Q115 PolarHBondContact O-NE2 2.73Å; A46-Q115 VanDerWaalsContact O-NE2 3.12Å; S48-Q115 PolarHBondContact O-OE1 2.94Å; T90-Q115 HydrophobicContact CG2-CG 4.39Å; Q115-T117 PolarHBondContact O-N 2.94Å |
| 116 | V | 72.6 | Confident | 75.1 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -72.9 | 102.6 | 161.3 | -168.9 | 0 | 0 | 0 | 0 | 103.2 | L10 V12 A45 A46 T47 D120 F121 L138 | L10-V116 HydrophobicContact CD2-CG1 4.38Å; V12-V116 HydrophobicContact CG2-CG2 4.41Å; A45-V116 HydrophobicContact CB-CB 3.79Å; A45-V116 HydrophobicContact CB-CG1 4.2Å; A45-V116 HydrophobicContact CB-CG2 3.71Å; A45-V116 WeakPolarHBondContact O-CG2 3.24Å; A46-V116 VanDerWaalsContact N-CG2 3.25Å; A46-V116 PolarHBondContact O-N 3.41Å; T47-V116 HydrophobicContact CG2-CB 3.82Å; T47-V116 HydrophobicContact CG2-CG2 3.48Å; T47-V116 VanDerWaalsContact CG2-CG2 3.48Å; V116-D120 WeakPolarHBondContact CA-OD2 3.27Å; V116-D120 HydrophobicContact CG1-CB 3.81Å; V116-F121 HydrophobicContact CG1-CD2 4.19Å; V116-F121 HydrophobicContact CG1-CE2 3.53Å; V116-F121 HydrophobicContact CG1-CZ 3.97Å; V116-L138 HydrophobicContact CG2-CD2 4.35Å | ||
| 117 | T | 78 | Confident | 75.7 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | trans | -78.8 | 167.9 | 172.4 | 64.8 | 0 | 0 | 0 | 0 | 109.6 | Q115 D119 D120 F121 | Q115-T117 PolarHBondContact O-N 2.94Å; T117-D119 PolarHBondContact O-N 2.89Å; T117-D119 WeakPolarHBondContact OG1-CB 3.28Å; T117-D119 PolarHBondContact OG1-N 3.27Å; T117-D120 WeakPolarHBondContact CB-OD2 3.45Å; T117-D120 PolarHBondContact N-OD2 2.94Å; T117-D120 PolarHBondContact O-N 2.95Å; T117-D120 PolarHBondContact OG1-N 3.34Å; T117-D120 VanDerWaalsContact OG1-N 3.11Å; T117-D120 PolarHBondContact OG1-OD2 2.87Å; T117-F121 WeakPolarHBondContact O-CD2 3.31Å | ||
| 118 | K | 80.4 | Confident | 76.6 | Confident | 128 Ų | 128 | 51.7 Ų | 51.7 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28 | 167.7 | -63.4 | -173.5 | 179.2 | -178.6 | 0 | 111 | D120 F121 V145 | K118-D120 VanDerWaalsContact C-N 3.32Å; K118-D120 PolarHBondContact O-N 2.89Å; K118-F121 PolarHBondContact O-N 3.17Å; K118-V145 HydrophobicContact CB-CG1 4.41Å; K118-V145 HydrophobicContact CB-CG2 3.82Å; K118-V145 HydrophobicContact CD-CG2 4.3Å; K118-V145 HydrophobicContact CG-CG2 3.85Å |
| 119 | D | 81.2 | Confident | 77.4 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.5 | 179.8 | -50.3 | -69.7 | 0 | 0 | 0 | 112.7 | T117 F121 M122 N123 | T117-D119 PolarHBondContact O-N 2.89Å; T117-D119 WeakPolarHBondContact OG1-CB 3.28Å; T117-D119 PolarHBondContact OG1-N 3.27Å; D119-F121 VanDerWaalsContact C-N 3.28Å; D119-F121 PolarHBondContact O-N 2.89Å; D119-M122 HydrophobicContact CB-CE 4.29Å; D119-M122 PolarHBondContact O-N 2.84Å; D119-M122 WeakPolarHBondContact OD1-CE 3.34Å; D119-N123 VanDerWaalsContact O-CB 3.32Å; D119-N123 WeakPolarHBondContact O-CB 3.35Å; D119-N123 PolarHBondContact O-N 3.02Å; D119-N123 PolarHBondContact O-ND2 3.39Å |
| 120 | D | 83.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 174.8 | -67.2 | -73.1 | 0 | 0 | 0 | 111.5 | L10 R114 V116 T117 K118 M122 N123 F124 | L10-D120 HydrophobicContact CD1-CB 4.36Å; L10-D120 HydrophobicContact CD2-CB 3.88Å; R114-D120 IonicContact CZ-OD1 3.91Å; R114-D120 IonicContact CZ-OD2 3.52Å; R114-D120 IonicContact NH1-OD1 3.52Å; R114-D120 PolarHBondContact NH1-OD1 3.46Å; R114-D120 VanDerWaalsContact NH1-OD1 3.08Å; R114-D120 IonicContact NH1-OD2 3.26Å; R114-D120 PolarHBondContact NH1-OD2 3.42Å; R114-D120 IonicContact NH2-OD1 3.98Å; R114-D120 PolarHBondContact NH2-OD1 2.7Å; R114-D120 IonicContact NH2-OD2 2.7Å; V116-D120 WeakPolarHBondContact CA-OD2 3.27Å; V116-D120 HydrophobicContact CG1-CB 3.81Å; T117-D120 WeakPolarHBondContact CB-OD2 3.45Å; T117-D120 PolarHBondContact N-OD2 2.94Å; T117-D120 PolarHBondContact O-N 2.95Å; T117-D120 PolarHBondContact OG1-N 3.34Å; T117-D120 VanDerWaalsContact OG1-N 3.11Å; T117-D120 PolarHBondContact OG1-OD2 2.87Å; K118-D120 VanDerWaalsContact C-N 3.32Å; K118-D120 PolarHBondContact O-N 2.89Å; D120-M122 PolarHBondContact O-N 3.43Å; D120-N123 PolarHBondContact O-N 2.81Å; D120-F124 HydrophobicContact CB-CD2 4.07Å; D120-F124 HydrophobicContact CB-CE2 4.49Å; D120-F124 WeakPolarHBondContact O-CB 3.45Å; D120-F124 WeakPolarHBondContact O-CD2 3.22Å; D120-F124 PolarHBondContact O-N 3.02Å; D120-F124 VanDerWaalsContact O-N 3.1Å; D120-F124 WeakPolarHBondContact OD1-CE2 3.22Å |
| 121 | F | 83.7 | Confident | 79.4 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.4 | -12.1 | 175.3 | -61.6 | -88.1 | 0 | 0 | 0 | 114.3 | V116 T117 K118 D119 I127 L138 K141 A142 V145 A148 T149 A150 I152 | V116-F121 HydrophobicContact CG1-CD2 4.19Å; V116-F121 HydrophobicContact CG1-CE2 3.53Å; V116-F121 HydrophobicContact CG1-CZ 3.97Å; T117-F121 WeakPolarHBondContact O-CD2 3.31Å; K118-F121 PolarHBondContact O-N 3.17Å; D119-F121 VanDerWaalsContact C-N 3.28Å; D119-F121 PolarHBondContact O-N 2.89Å; F121-I127 HydrophobicContact CD1-CD1 3.51Å; F121-I127 HydrophobicContact CE1-CD1 3.8Å; F121-I127 HydrophobicContact CG-CD1 4.15Å; F121-L138 HydrophobicContact CE1-CD2 4.09Å; F121-L138 HydrophobicContact CZ-CD2 3.83Å; F121-K141 HydrophobicContact CE2-CB 4.27Å; F121-K141 HydrophobicContact CZ-CB 3.9Å; F121-A142 HydrophobicContact CD1-CB 3.8Å; F121-A142 HydrophobicContact CE1-CB 3.85Å; F121-V145 HydrophobicContact CB-CG1 4.31Å; F121-V145 HydrophobicContact CB-CG2 4.43Å; F121-V145 HydrophobicContact CD2-CG2 4.04Å; F121-V145 HydrophobicContact CG-CG2 4.39Å; F121-A148 HydrophobicContact CB-CB 4.05Å; F121-A148 CarbonylContact O-C 3.18Å; F121-A148 WeakPolarHBondContact O-CA 3.36Å; F121-T149 PolarHBondContact O-N 3.48Å; F121-A150 PolarHBondContact O-N 3.4Å; F121-I152 HydrophobicContact CD1-CD1 4.08Å; F121-I152 HydrophobicContact CE1-CD1 3.87Å |
| 122 | M | 83.1 | Confident | 80.6 | Confident | 74 Ų | 74 | 43 Ų | 43 | 37% | 0.365 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -105.8 | -28.4 | 178.4 | -59.5 | -173.4 | -70 | 0 | 0 | 112.5 | D119 D120 V145 T149 | D119-M122 HydrophobicContact CB-CE 4.29Å; D119-M122 PolarHBondContact O-N 2.84Å; D119-M122 WeakPolarHBondContact OD1-CE 3.34Å; D120-M122 PolarHBondContact O-N 3.43Å; M122-V145 HydrophobicContact CG-CG1 4.05Å; M122-V145 HydrophobicContact SD-CG1 4.3Å; M122-T149 PolarHBondContact O-OG1 3.46Å |
| 123 | N | 82.2 | Confident | 81.6 | Confident | 77 Ų | 77 | 41.8 Ų | 41.8 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -95.3 | -18.8 | -175.8 | -73.9 | -65.8 | 0 | 0 | 0 | 114.2 | S8 D119 D120 | S8-N123 PolarHBondContact OG-O 2.91Å; D119-N123 VanDerWaalsContact O-CB 3.32Å; D119-N123 WeakPolarHBondContact O-CB 3.35Å; D119-N123 PolarHBondContact O-N 3.02Å; D119-N123 PolarHBondContact O-ND2 3.39Å; D120-N123 PolarHBondContact O-N 2.81Å |
| 124 | F | 83.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | trans | -101.8 | 135.9 | 179.8 | -71 | -80 | 0 | 0 | 0 | 112.2 | S8 L10 R41 D43 D120 I127 A150 | S8-F124 VanDerWaalsContact OG-CA 3.3Å; S8-F124 WeakPolarHBondContact OG-CA 3.42Å; L10-F124 HydrophobicContact CB-CB 4.13Å; L10-F124 HydrophobicContact CB-CD1 4.04Å; L10-F124 HydrophobicContact CB-CD2 4.35Å; L10-F124 HydrophobicContact CB-CG 3.84Å; L10-F124 HydrophobicContact CD1-CD1 4.24Å; L10-F124 HydrophobicContact CD1-CD2 3.65Å; L10-F124 HydrophobicContact CD1-CE1 4.35Å; L10-F124 HydrophobicContact CD1-CE2 3.75Å; L10-F124 HydrophobicContact CD1-CG 3.96Å; L10-F124 HydrophobicContact CD1-CZ 4.16Å; L10-F124 HydrophobicContact CG-CD2 4.44Å; L10-F124 HydrophobicContact CG-CG 4.42Å; R41-F124 HydrophobicContact CG-CE1 4.14Å; R41-F124 HydrophobicContact CG-CZ 4.4Å; D43-F124 HydrophobicContact CB-CD1 4.44Å; D43-F124 HydrophobicContact CB-CE1 3.35Å; D43-F124 HydrophobicContact CB-CE2 4.1Å; D43-F124 HydrophobicContact CB-CZ 3.16Å; D43-F124 WeakPolarHBondContact OD2-CZ 3.19Å; D120-F124 HydrophobicContact CB-CD2 4.07Å; D120-F124 HydrophobicContact CB-CE2 4.49Å; D120-F124 WeakPolarHBondContact O-CB 3.45Å; D120-F124 WeakPolarHBondContact O-CD2 3.22Å; D120-F124 PolarHBondContact O-N 3.02Å; D120-F124 VanDerWaalsContact O-N 3.1Å; D120-F124 WeakPolarHBondContact OD1-CE2 3.22Å; F124-I127 HydrophobicContact CB-CG1 4.39Å; F124-A150 WeakPolarHBondContact O-CA 3.34Å; F124-A150 WeakPolarHBondContact O-CB 3.4Å | ||
| 125 | E | 89.1 | Confident | 83.9 | Confident | 68 Ų | 68 | 41.8 Ų | 41.8 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -77.7 | -35.4 | 172.2 | -165.8 | -172.7 | 144.2 | 0 | 0 | 110.5 | S8 K151 | S8-E125 PolarHBondContact O-N 3Å; S8-E125 VanDerWaalsContact O-N 3.09Å; S8-E125 PolarHBondContact OG-N 2.8Å; E125-K151 WeakPolarHBondContact O-CB 3.28Å; E125-K151 PolarHBondContact O-N 2.68Å; E125-K151 IonicContact OE1-NZ 3.21Å; E125-K151 PolarHBondContact OE1-NZ 3.45Å |
| 126 | Y | 89.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.9 | 178.2 | -58.4 | -88.6 | 0 | 0 | 0 | 111.6 | S8 V9 L10 K151 F191 | S8-Y126 PolarHBondContact O-N 3.03Å; V9-Y126 CarbonylContact C-O 3.11Å; V9-Y126 WeakPolarHBondContact CA-O 3.2Å; L10-Y126 PolarHBondContact N-O 2.81Å; Y126-K151 CarbonylContact C-O 3.33Å; Y126-K151 WeakPolarHBondContact CA-O 3.1Å; Y126-K151 HydrophobicContact CD1-CB 4.16Å; Y126-K151 HydrophobicContact CD1-CD 4.04Å; Y126-K151 HydrophobicContact CE1-CB 4.45Å; Y126-K151 HydrophobicContact CE1-CD 3.5Å; Y126-K151 VanDerWaalsContact CE1-CD 3.5Å; Y126-K151 PolarHBondContact OH-NZ 3.44Å; Y126-F191 AromaticContact CD1-CE2 3.79Å; Y126-F191 HydrophobicContact CD1-CE2 3.79Å; Y126-F191 HydrophobicContact CD1-CZ 4.04Å; Y126-F191 HydrophobicContact CD2-CE2 4.36Å; Y126-F191 AromaticContact CD2-CZ 3.8Å; Y126-F191 HydrophobicContact CD2-CZ 3.8Å; Y126-F191 HydrophobicContact CE1-CE2 4.19Å; Y126-F191 HydrophobicContact CE2-CZ 4.35Å; Y126-F191 AromaticContact CG-CE2 3.92Å; Y126-F191 HydrophobicContact CG-CE2 3.92Å; Y126-F191 AromaticContact CG-CZ 3.67Å; Y126-F191 HydrophobicContact CG-CZ 3.67Å |
| 127 | I | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 106.4 | 165 | -59.6 | 173.6 | 0 | 0 | 0 | 107.2 | L10 V12 F121 F124 L138 A150 K151 I152 E153 | L10-I127 HydrophobicContact CB-CB 4.35Å; L10-I127 HydrophobicContact CB-CG1 3.89Å; L10-I127 HydrophobicContact CB-CG2 4.41Å; L10-I127 HydrophobicContact CD2-CB 4.45Å; L10-I127 HydrophobicContact CD2-CD1 4.01Å; L10-I127 HydrophobicContact CD2-CG1 3.76Å; L10-I127 HydrophobicContact CD2-CG2 4.02Å; L10-I127 HydrophobicContact CG-CG1 4.45Å; L10-I127 CarbonylContact O-C 3.1Å; L10-I127 WeakPolarHBondContact O-CA 3.45Å; V12-I127 HydrophobicContact CG2-CG2 3.81Å; F121-I127 HydrophobicContact CD1-CD1 3.51Å; F121-I127 HydrophobicContact CE1-CD1 3.8Å; F121-I127 HydrophobicContact CG-CD1 4.15Å; F124-I127 HydrophobicContact CB-CG1 4.39Å; I127-L138 HydrophobicContact CG2-CD1 3.73Å; I127-L138 HydrophobicContact CG2-CD2 4.23Å; I127-A150 HydrophobicContact CD1-CB 3.59Å; I127-A150 HydrophobicContact CG1-CB 3.78Å; I127-K151 PolarHBondContact N-O 2.93Å; I127-I152 HydrophobicContact CB-CG1 4.33Å; I127-I152 HydrophobicContact CB-CG2 4.43Å; I127-I152 HydrophobicContact CD1-CG1 4.37Å; I127-I152 HydrophobicContact CG2-CG2 4.41Å; I127-I152 WeakPolarHBondContact O-CA 3.24Å; I127-E153 PolarHBondContact O-N 3.34Å |
| 128 | L | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.9 | -176.3 | -58.8 | -176.5 | 0 | 0 | 0 | 109.9 | V9 L10 F11 V12 E153 L155 Y158 F191 | V9-L128 HydrophobicContact CG2-CD1 3.7Å; V9-L128 HydrophobicContact CG2-CG 3.94Å; L10-L128 PolarHBondContact O-N 3.32Å; F11-L128 CarbonylContact C-O 3.59Å; F11-L128 WeakPolarHBondContact CA-O 3.3Å; F11-L128 HydrophobicContact CD1-CB 4.08Å; F11-L128 HydrophobicContact CE1-CB 4.24Å; F11-L128 HydrophobicContact CE1-CD1 3.9Å; F11-L128 HydrophobicContact CZ-CD1 4.45Å; V12-L128 PolarHBondContact N-O 2.9Å; L128-E153 WeakPolarHBondContact CA-O 3.22Å; L128-E153 HydrophobicContact CD2-CB 4.05Å; L128-L155 HydrophobicContact CB-CB 4.26Å; L128-L155 HydrophobicContact CB-CD1 4.48Å; L128-L155 HydrophobicContact CD1-CD1 3.95Å; L128-Y158 HydrophobicContact CD2-CE2 4.06Å; L128-F191 HydrophobicContact CD1-CD1 3.99Å; L128-F191 HydrophobicContact CD1-CD2 3.83Å; L128-F191 HydrophobicContact CD1-CE1 4Å; L128-F191 HydrophobicContact CD1-CE2 3.83Å; L128-F191 HydrophobicContact CD1-CG 3.93Å; L128-F191 HydrophobicContact CD1-CZ 3.93Å; L128-F191 HydrophobicContact CD2-CE2 4.3Å |
| 129 | C | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 161 | -175.2 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | V12 N134 L135 L138 E153 L154 L155 | V12-C129 HydrophobicContact CB-CB 4.45Å; V12-C129 VanDerWaalsContact O-CA 3.24Å; V12-C129 WeakPolarHBondContact O-CA 3.25Å; C129-N134 HydrophobicContact CB-CB 3.81Å; C129-L135 VanDerWaalsContact SG-CA 3.58Å; C129-L138 HydrophobicContact CB-CD1 3.62Å; C129-E153 PolarHBondContact N-O 2.98Å; C129-E153 PolarHBondContact SG-O 3.28Å; C129-L154 CarbonylContact O-C 3.23Å; C129-L154 WeakPolarHBondContact O-CA 3.41Å; C129-L155 PolarHBondContact O-N 3Å |
| 130 | M | 86 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -90.1 | -31.9 | -166 | -57.8 | -55.6 | 161.3 | 0 | 0 | 114.5 | F11 V12 C13 R19 A23 L155 I166 | F11-M130 HydrophobicContact CB-CE 4.31Å; F11-M130 HydrophobicContact CD1-CE 4.42Å; V12-M130 WeakPolarHBondContact O-CG 3.49Å; V12-M130 PolarHBondContact O-N 3.07Å; C13-M130 HydrophobicContact CB-CB 4.2Å; C13-M130 HydrophobicContact CB-CG 3.48Å; C13-M130 VanDerWaalsContact CB-CG 3.48Å; R19-M130 HydrophobicContact CB-CG 3.76Å; R19-M130 HydrophobicContact CB-SD 4.27Å; R19-M130 VanDerWaalsContact NH1-CB 3.28Å; A23-M130 HydrophobicContact CB-CE 3.6Å; M130-L155 HydrophobicContact CE-CD2 3.93Å; M130-L155 HydrophobicContact SD-CB 4.35Å; M130-L155 HydrophobicContact SD-CD2 3.94Å; M130-I166 HydrophobicContact CB-CB 4.16Å; M130-I166 PolarHBondContact O-N 3.34Å; M130-I166 HydrophobicContact SD-CB 4.22Å; M130-I166 HydrophobicContact SD-CD1 3.71Å; M130-I166 HydrophobicContact SD-CG2 4.27Å |
| 131 | D | 89 | Confident | 86.6 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -144.8 | 169.7 | -177.2 | 64.7 | 52.2 | 0 | 0 | 0 | 112.7 | R19 N133 N134 L135 L154 I165 | R19-D131 IonicContact CZ-OD2 2.7Å; R19-D131 IonicContact NH1-OD2 3.49Å; R19-D131 PolarHBondContact NH1-OD2 2.98Å; R19-D131 IonicContact NH2-OD2 2.94Å; R19-D131 PolarHBondContact NH2-OD2 2.81Å; D131-N133 PolarHBondContact O-N 3.43Å; D131-N133 WeakPolarHBondContact OD1-CA 3.36Å; D131-N133 VanDerWaalsContact OD1-CB 3.32Å; D131-N133 WeakPolarHBondContact OD1-CB 3.5Å; D131-N133 PolarHBondContact OD1-N 2.94Å; D131-N134 PolarHBondContact O-N 3.32Å; D131-N134 VanDerWaalsContact OD1-CG 3.28Å; D131-N134 PolarHBondContact OD1-N 3.2Å; D131-N134 PolarHBondContact OD1-OD1 3.43Å; D131-N134 PolarHBondContact OD2-OD1 2.7Å; D131-L135 PolarHBondContact O-N 3.2Å; D131-L154 VanDerWaalsContact C-CD2 3.48Å; D131-L154 WeakPolarHBondContact O-CD2 3.41Å; D131-I165 HydrophobicContact CB-CG2 3.96Å |
| 132 | E | 89.4 | Confident | 86.7 | Confident | 130 Ų | 130 | 43.9 Ų | 43.9 | 61% | 0.607 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.3 | -25.4 | -177.2 | -60.9 | -174.1 | 151 | 0 | 0 | 113.4 | S136 I165 | E132-S136 VanDerWaalsContact O-CB 3.25Å; E132-S136 WeakPolarHBondContact O-CB 3.48Å; E132-S136 PolarHBondContact O-N 2.82Å; E132-I165 HydrophobicContact CG-CD1 3.69Å |
| 133 | N | 83 | Confident | 86.9 | Confident | 119 Ų | 119 | 49.2 Ų | 49.2 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -71.1 | -46.2 | 175.5 | -63.2 | -43.8 | 0 | 0 | 0 | 109.8 | D131 L135 S136 D137 | D131-N133 PolarHBondContact O-N 3.43Å; D131-N133 WeakPolarHBondContact OD1-CA 3.36Å; D131-N133 VanDerWaalsContact OD1-CB 3.32Å; D131-N133 WeakPolarHBondContact OD1-CB 3.5Å; D131-N133 PolarHBondContact OD1-N 2.94Å; N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.18Å; N133-S136 PolarHBondContact O-N 2.78Å; N133-D137 PolarHBondContact O-N 3.46Å |
| 134 | N | 84.1 | Confident | 87 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 173.1 | -54.6 | 152.1 | 0 | 0 | 0 | 110.8 | C13 T85 C129 D131 S136 D137 L138 | C13-N134 WeakPolarHBondContact CA-OD1 3.41Å; T85-N134 HydrophobicContact CG2-CB 4.21Å; T85-N134 PolarHBondContact OG1-ND2 3.35Å; C129-N134 HydrophobicContact CB-CB 3.81Å; D131-N134 PolarHBondContact O-N 3.32Å; D131-N134 VanDerWaalsContact OD1-CG 3.28Å; D131-N134 PolarHBondContact OD1-N 3.2Å; D131-N134 PolarHBondContact OD1-OD1 3.43Å; D131-N134 PolarHBondContact OD2-OD1 2.7Å; N134-S136 PolarHBondContact O-N 3.37Å; N134-D137 PolarHBondContact O-N 3Å; N134-L138 VanDerWaalsContact O-CB 3.31Å; N134-L138 WeakPolarHBondContact O-CB 3.43Å; N134-L138 WeakPolarHBondContact O-CD1 3.43Å; N134-L138 VanDerWaalsContact O-CG 3.24Å; N134-L138 WeakPolarHBondContact O-CG 3.24Å; N134-L138 PolarHBondContact O-N 3.32Å |
| 135 | L | 88.9 | Confident | 87 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.5 | -176.2 | 65.2 | 0 | 0 | 0 | 111.8 | C129 D131 N133 N139 I152 L154 | C129-L135 VanDerWaalsContact SG-CA 3.58Å; D131-L135 PolarHBondContact O-N 3.2Å; N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.18Å; L135-N139 WeakPolarHBondContact CD1-ND2 3.26Å; L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.31Å; L135-N139 PolarHBondContact O-ND2 3.24Å; L135-I152 HydrophobicContact CD1-CG2 3.82Å; L135-L154 HydrophobicContact CB-CD2 4.28Å; L135-L154 HydrophobicContact CD2-CD1 4.43Å; L135-L154 HydrophobicContact CD2-CG 4.18Å |
| 136 | S | 87.3 | Confident | 86.5 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 179.1 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | E132 N133 N134 N139 K140 | E132-S136 VanDerWaalsContact O-CB 3.25Å; E132-S136 WeakPolarHBondContact O-CB 3.48Å; E132-S136 PolarHBondContact O-N 2.82Å; N133-S136 PolarHBondContact O-N 2.78Å; N134-S136 PolarHBondContact O-N 3.37Å; S136-N139 PolarHBondContact O-N 3.41Å; S136-K140 VanDerWaalsContact O-CG 3.27Å; S136-K140 WeakPolarHBondContact O-CG 3.09Å; S136-K140 PolarHBondContact O-N 3.31Å; S136-K140 VanDerWaalsContact OG-CE 3.27Å; S136-K140 WeakPolarHBondContact OG-CE 3.41Å; S136-K140 PolarHBondContact OG-NZ 2.99Å |
| 137 | D | 83.1 | Confident | 86.1 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | -178.3 | -71.9 | -21.6 | 0 | 0 | 0 | 113.2 | N133 N134 K140 K141 | N133-D137 PolarHBondContact O-N 3.46Å; N134-D137 PolarHBondContact O-N 3Å; D137-K140 PolarHBondContact O-N 2.63Å; D137-K140 IonicContact OD1-NZ 3.33Å; D137-K140 PolarHBondContact OD1-NZ 3.18Å; D137-K141 WeakPolarHBondContact O-CB 3.43Å; D137-K141 WeakPolarHBondContact O-CD 3.25Å; D137-K141 VanDerWaalsContact O-CG 3.28Å; D137-K141 WeakPolarHBondContact O-CG 3.35Å; D137-K141 PolarHBondContact O-N 2.87Å |
| 138 | L | 85.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 170.8 | -74 | 167.6 | 0 | 0 | 0 | 111.4 | V12 V116 F121 I127 C129 N134 K141 A142 I152 | V12-L138 HydrophobicContact CB-CD1 3.99Å; V12-L138 HydrophobicContact CG1-CD1 4.06Å; V12-L138 HydrophobicContact CG1-CD2 4.28Å; V12-L138 HydrophobicContact CG1-CG 4.44Å; V12-L138 HydrophobicContact CG2-CD1 4.31Å; V12-L138 HydrophobicContact CG2-CD2 4.41Å; V116-L138 HydrophobicContact CG2-CD2 4.35Å; F121-L138 HydrophobicContact CE1-CD2 4.09Å; F121-L138 HydrophobicContact CZ-CD2 3.83Å; I127-L138 HydrophobicContact CG2-CD1 3.73Å; I127-L138 HydrophobicContact CG2-CD2 4.23Å; C129-L138 HydrophobicContact CB-CD1 3.62Å; N134-L138 VanDerWaalsContact O-CB 3.31Å; N134-L138 WeakPolarHBondContact O-CB 3.43Å; N134-L138 WeakPolarHBondContact O-CD1 3.43Å; N134-L138 VanDerWaalsContact O-CG 3.24Å; N134-L138 WeakPolarHBondContact O-CG 3.24Å; N134-L138 PolarHBondContact O-N 3.32Å; L138-K141 PolarHBondContact O-N 2.71Å; L138-A142 WeakPolarHBondContact O-CB 3.27Å; L138-A142 PolarHBondContact O-N 2.85Å; L138-I152 HydrophobicContact CB-CD1 4.34Å; L138-I152 HydrophobicContact CB-CG2 3.77Å; L138-I152 HydrophobicContact CD1-CG2 4.01Å |
| 139 | N | 88.4 | Confident | 85.5 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176 | -86.1 | -74.9 | 0 | 0 | 0 | 112.7 | L135 S136 K141 K143 | L135-N139 WeakPolarHBondContact CD1-ND2 3.26Å; L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.31Å; L135-N139 PolarHBondContact O-ND2 3.24Å; S136-N139 PolarHBondContact O-N 3.41Å; N139-K141 VanDerWaalsContact C-N 3.32Å; N139-K141 PolarHBondContact O-N 3.26Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 3.42Å |
| 140 | K | 87.1 | Confident | 85.4 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 172.3 | -70.4 | 166.1 | -155.1 | 160.5 | 0 | 111.2 | S136 D137 | S136-K140 VanDerWaalsContact O-CG 3.27Å; S136-K140 WeakPolarHBondContact O-CG 3.09Å; S136-K140 PolarHBondContact O-N 3.31Å; S136-K140 VanDerWaalsContact OG-CE 3.27Å; S136-K140 WeakPolarHBondContact OG-CE 3.41Å; S136-K140 PolarHBondContact OG-NZ 2.99Å; D137-K140 PolarHBondContact O-N 2.63Å; D137-K140 IonicContact OD1-NZ 3.33Å; D137-K140 PolarHBondContact OD1-NZ 3.18Å |
| 141 | K | 82.3 | Confident | 85.6 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 30% | 0.296 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.9 | -40.8 | -178.9 | -70.3 | 166.6 | -165.8 | -86.5 | 0 | 111.9 | T47 F121 D137 L138 N139 K143 S144 | T47-K141 VanDerWaalsContact CB-NZ 3.26Å; T47-K141 HydrophobicContact CG2-CD 3.51Å; T47-K141 PolarHBondContact O-NZ 2.96Å; T47-K141 WeakPolarHBondContact OG1-CE 3.11Å; T47-K141 PolarHBondContact OG1-NZ 3.03Å; F121-K141 HydrophobicContact CE2-CB 4.27Å; F121-K141 HydrophobicContact CZ-CB 3.9Å; D137-K141 WeakPolarHBondContact O-CB 3.43Å; D137-K141 WeakPolarHBondContact O-CD 3.25Å; D137-K141 VanDerWaalsContact O-CG 3.28Å; D137-K141 WeakPolarHBondContact O-CG 3.35Å; D137-K141 PolarHBondContact O-N 2.87Å; L138-K141 PolarHBondContact O-N 2.71Å; N139-K141 VanDerWaalsContact C-N 3.32Å; N139-K141 PolarHBondContact O-N 3.26Å; K141-K143 VanDerWaalsContact C-N 3.31Å; K141-K143 PolarHBondContact O-N 3.17Å; K141-S144 WeakPolarHBondContact O-CA 2.83Å; K141-S144 WeakPolarHBondContact O-CB 3.29Å; K141-S144 PolarHBondContact O-N 3.24Å; K141-S144 PolarHBondContact O-OG 3.41Å |
| 142 | A | 86.9 | Confident | 85.8 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F121 L138 S144 V145 I152 | F121-A142 HydrophobicContact CD1-CB 3.8Å; F121-A142 HydrophobicContact CE1-CB 3.85Å; L138-A142 WeakPolarHBondContact O-CB 3.27Å; L138-A142 PolarHBondContact O-N 2.85Å; A142-S144 PolarHBondContact O-N 2.94Å; A142-S144 VanDerWaalsContact O-N 3.1Å; A142-V145 PolarHBondContact O-N 3.23Å; A142-I152 HydrophobicContact CB-CD1 3.59Å |
| 143 | K | 87.1 | Confident | 86 | Confident | 186 Ų | 186 | 70.4 Ų | 70.4 | 81% | 0.809 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.1 | 173.2 | -70.9 | 174.4 | -176.2 | -176.3 | 0 | 114.1 | N139 K141 | N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 3.42Å; K141-K143 VanDerWaalsContact C-N 3.31Å; K141-K143 PolarHBondContact O-N 3.17Å |
| 144 | S | 83.9 | Confident | 86.6 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 51% | 0.51 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.2 | 175.8 | 80.4 | 0 | 0 | 0 | 0 | 114.2 | K141 A142 | K141-S144 WeakPolarHBondContact O-CA 2.83Å; K141-S144 WeakPolarHBondContact O-CB 3.29Å; K141-S144 PolarHBondContact O-N 3.24Å; K141-S144 PolarHBondContact O-OG 3.41Å; A142-S144 PolarHBondContact O-N 2.94Å; A142-S144 VanDerWaalsContact O-N 3.1Å |
| 145 | V | 84.4 | Confident | 87 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -104.2 | 120.7 | 179.4 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | K118 F121 M122 A142 A148 | K118-V145 HydrophobicContact CB-CG1 4.41Å; K118-V145 HydrophobicContact CB-CG2 3.82Å; K118-V145 HydrophobicContact CD-CG2 4.3Å; K118-V145 HydrophobicContact CG-CG2 3.85Å; F121-V145 HydrophobicContact CB-CG1 4.31Å; F121-V145 HydrophobicContact CB-CG2 4.43Å; F121-V145 HydrophobicContact CD2-CG2 4.04Å; F121-V145 HydrophobicContact CG-CG2 4.39Å; M122-V145 HydrophobicContact CG-CG1 4.05Å; M122-V145 HydrophobicContact SD-CG1 4.3Å; A142-V145 PolarHBondContact O-N 3.23Å; V145-A148 HydrophobicContact CB-CB 4.26Å; V145-A148 HydrophobicContact CG1-CB 4.3Å |
| 146 | K | 78.1 | Confident | 87.1 | Confident | 185 Ų | 185 | 63.3 Ų | 63.3 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 132 | 169.5 | -64.5 | -174.8 | 179.1 | -177.5 | 0 | 108.2 | ||
| 147 | N | 82.3 | Confident | 87.4 | Confident | 138 Ų | 138 | 63.2 Ų | 63.2 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 35.2 | -179.3 | -46.4 | -28.4 | 0 | 0 | 0 | 115.1 | T149 | N147-T149 PolarHBondContact O-N 2.88Š|
| 148 | A | 83.8 | Confident | 87.9 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | trans | -60.5 | 119.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F121 V145 | F121-A148 HydrophobicContact CB-CB 4.05Å; F121-A148 CarbonylContact O-C 3.18Å; F121-A148 WeakPolarHBondContact O-CA 3.36Å; V145-A148 HydrophobicContact CB-CB 4.26Å; V145-A148 HydrophobicContact CG1-CB 4.3Å | ||
| 149 | T | 85.6 | Confident | 88.3 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | trans | -106.9 | -16.3 | -178.7 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | F121 M122 N147 | F121-T149 PolarHBondContact O-N 3.48Å; M122-T149 PolarHBondContact O-OG1 3.46Å; N147-T149 PolarHBondContact O-N 2.88Å | ||
| 150 | A | 87 | Confident | 88.4 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | trans | -67.6 | 134.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F121 F124 I127 | F121-A150 PolarHBondContact O-N 3.4Å; F124-A150 WeakPolarHBondContact O-CA 3.34Å; F124-A150 WeakPolarHBondContact O-CB 3.4Å; I127-A150 HydrophobicContact CD1-CB 3.59Å; I127-A150 HydrophobicContact CG1-CB 3.78Å | ||
| 151 | K | 91.2 | Very high | 88.6 | Confident | 98 Ų | 98 | 63 Ų | 63 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117.3 | 169.4 | -63.2 | 167.2 | -172.9 | 162.5 | 0 | 109.2 | E125 Y126 I127 | E125-K151 WeakPolarHBondContact O-CB 3.28Å; E125-K151 PolarHBondContact O-N 2.68Å; E125-K151 IonicContact OE1-NZ 3.21Å; E125-K151 PolarHBondContact OE1-NZ 3.45Å; Y126-K151 CarbonylContact C-O 3.33Å; Y126-K151 WeakPolarHBondContact CA-O 3.1Å; Y126-K151 HydrophobicContact CD1-CB 4.16Å; Y126-K151 HydrophobicContact CD1-CD 4.04Å; Y126-K151 HydrophobicContact CE1-CB 4.45Å; Y126-K151 HydrophobicContact CE1-CD 3.5Å; Y126-K151 VanDerWaalsContact CE1-CD 3.5Å; Y126-K151 PolarHBondContact OH-NZ 3.44Å; I127-K151 PolarHBondContact N-O 2.93Å |
| 152 | I | 92.4 | Very high | 89 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 111.5 | -178.1 | -47 | 174.8 | 0 | 0 | 0 | 109 | F121 I127 L135 L138 A142 | F121-I152 HydrophobicContact CD1-CD1 4.08Å; F121-I152 HydrophobicContact CE1-CD1 3.87Å; I127-I152 HydrophobicContact CB-CG1 4.33Å; I127-I152 HydrophobicContact CB-CG2 4.43Å; I127-I152 HydrophobicContact CD1-CG1 4.37Å; I127-I152 HydrophobicContact CG2-CG2 4.41Å; I127-I152 WeakPolarHBondContact O-CA 3.24Å; L135-I152 HydrophobicContact CD1-CG2 3.82Å; L138-I152 HydrophobicContact CB-CD1 4.34Å; L138-I152 HydrophobicContact CB-CG2 3.77Å; L138-I152 HydrophobicContact CD1-CG2 4.01Å; A142-I152 HydrophobicContact CB-CD1 3.59Å |
| 153 | E | 94.4 | Very high | 89.1 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 163.2 | -172.5 | -64.5 | -179.8 | 113.2 | 0 | 0 | 111.2 | I127 L128 C129 Y158 | I127-E153 PolarHBondContact O-N 3.34Å; L128-E153 WeakPolarHBondContact CA-O 3.22Å; L128-E153 HydrophobicContact CD2-CB 4.05Å; C129-E153 PolarHBondContact N-O 2.98Å; C129-E153 PolarHBondContact SG-O 3.28Å; E153-Y158 PolarHBondContact OE2-OH 2.97Å |
| 154 | L | 94.3 | Very high | 89.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.9 | 170.7 | -71.1 | 167.2 | 0 | 0 | 0 | 109.5 | C129 D131 L135 G156 S157 I165 | C129-L154 CarbonylContact O-C 3.23Å; C129-L154 WeakPolarHBondContact O-CA 3.41Å; D131-L154 VanDerWaalsContact C-CD2 3.48Å; D131-L154 WeakPolarHBondContact O-CD2 3.41Å; L135-L154 HydrophobicContact CB-CD2 4.28Å; L135-L154 HydrophobicContact CD2-CD1 4.43Å; L135-L154 HydrophobicContact CD2-CG 4.18Å; L154-G156 VanDerWaalsContact C-N 3.27Å; L154-G156 PolarHBondContact O-N 3.27Å; L154-S157 VanDerWaalsContact O-CB 3.26Å; L154-S157 WeakPolarHBondContact O-CB 3.35Å; L154-S157 PolarHBondContact O-N 3.09Å; L154-S157 PolarHBondContact O-OG 3.33Å; L154-I165 HydrophobicContact CD1-CD1 4Å; L154-I165 HydrophobicContact CD2-CD1 4.42Å |
| 155 | L | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -58 | -43 | 173.4 | 179.1 | 57.1 | 0 | 0 | 0 | 110.9 | F11 A23 L128 C129 M130 S157 Y158 I166 C187 | F11-L155 HydrophobicContact CD1-CD2 4.13Å; F11-L155 HydrophobicContact CE1-CD1 4.04Å; F11-L155 HydrophobicContact CE1-CD2 4.13Å; A23-L155 HydrophobicContact CB-CD2 3.76Å; L128-L155 HydrophobicContact CB-CB 4.26Å; L128-L155 HydrophobicContact CB-CD1 4.48Å; L128-L155 HydrophobicContact CD1-CD1 3.95Å; C129-L155 PolarHBondContact O-N 3Å; M130-L155 HydrophobicContact CE-CD2 3.93Å; M130-L155 HydrophobicContact SD-CB 4.35Å; M130-L155 HydrophobicContact SD-CD2 3.94Å; L155-S157 PolarHBondContact O-N 3.41Å; L155-S157 VanDerWaalsContact O-N 3.1Å; L155-Y158 WeakPolarHBondContact O-CB 3.32Å; L155-Y158 PolarHBondContact O-N 3.15Å; L155-I166 HydrophobicContact CB-CD1 3.96Å; L155-I166 HydrophobicContact CD2-CD1 3.7Å; L155-I166 HydrophobicContact CG-CD1 3.84Å; L155-C187 HydrophobicContact CD1-CB 3.56Å; L155-C187 HydrophobicContact CD2-CB 4.46Å; L155-C187 HydrophobicContact CG-CB 3.63Å; L155-C187 WeakPolarHBondContact O-CB 3.44Å; L155-C187 PolarHBondContact O-SG 2.93Å |
| 156 | G | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -63.5 | -12.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L154 Y158 D159 R164 | L154-G156 VanDerWaalsContact C-N 3.27Å; L154-G156 PolarHBondContact O-N 3.27Å; G156-Y158 PolarHBondContact O-N 3.46Å; G156-D159 PolarHBondContact O-N 3.37Å; G156-D159 VanDerWaalsContact O-N 3.16Å; G156-R164 WeakPolarHBondContact CA-O 3.15Å; G156-R164 WeakPolarHBondContact O-CA 3.26Å |
| 157 | S | 93.5 | Very high | 90.3 | Very high | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -67.3 | -13.8 | 171.2 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | L154 L155 | L154-S157 VanDerWaalsContact O-CB 3.26Å; L154-S157 WeakPolarHBondContact O-CB 3.35Å; L154-S157 PolarHBondContact O-N 3.09Å; L154-S157 PolarHBondContact O-OG 3.33Å; L155-S157 PolarHBondContact O-N 3.41Å; L155-S157 VanDerWaalsContact O-N 3.1Å |
| 158 | Y | 93.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -97.2 | -0.8 | 174.5 | -64.2 | -92 | 0 | 0 | 0 | 113.4 | L128 E153 L155 G156 P160 A190 F191 K194 | L128-Y158 HydrophobicContact CD2-CE2 4.06Å; E153-Y158 PolarHBondContact OE2-OH 2.97Å; L155-Y158 WeakPolarHBondContact O-CB 3.32Å; L155-Y158 PolarHBondContact O-N 3.15Å; G156-Y158 PolarHBondContact O-N 3.46Å; Y158-P160 VanDerWaalsContact O-CD 3.28Å; Y158-P160 WeakPolarHBondContact O-CD 3.42Å; Y158-A190 WeakPolarHBondContact O-CB 3.5Å; Y158-F191 HydrophobicContact CD1-CB 4.01Å; Y158-F191 HydrophobicContact CD1-CD2 4.06Å; Y158-F191 HydrophobicContact CD2-CD2 4.28Å; Y158-F191 HydrophobicContact CE1-CB 4.43Å; Y158-F191 AromaticContact CE1-CD2 3.63Å; Y158-F191 HydrophobicContact CE1-CD2 3.63Å; Y158-F191 HydrophobicContact CE1-CE2 4.46Å; Y158-F191 AromaticContact CE2-CD2 3.9Å; Y158-F191 HydrophobicContact CE2-CD2 3.9Å; Y158-F191 HydrophobicContact CG-CB 4.08Å; Y158-F191 HydrophobicContact CG-CD2 4.36Å; Y158-F191 AromaticContact CZ-CD2 3.56Å; Y158-K194 HydrophobicContact CD1-CD 4.25Å; Y158-K194 HydrophobicContact CE1-CD 3.67Å |
| 159 | D | 92.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | trans | -70.2 | 120 | 177.8 | -167.3 | -7 | 0 | 0 | 0 | 110.6 | G156 Q161 N162 Q163 R186 | G156-D159 PolarHBondContact O-N 3.37Å; G156-D159 VanDerWaalsContact O-N 3.16Å; D159-Q161 PolarHBondContact O-N 2.95Å; D159-Q161 VanDerWaalsContact O-N 3.09Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.38Å; D159-Q161 PolarHBondContact OD1-N 3.27Å; D159-N162 PolarHBondContact O-N 3.25Å; D159-Q163 WeakPolarHBondContact OD2-CB 3.4Å; D159-R186 IonicContact OD1-CZ 3.44Å; D159-R186 IonicContact OD1-NE 3.83Å; D159-R186 PolarHBondContact OD1-NE 3.45Å; D159-R186 IonicContact OD1-NH2 3.87Å; D159-R186 IonicContact OD2-CZ 3.06Å; D159-R186 IonicContact OD2-NE 3.84Å; D159-R186 PolarHBondContact OD2-NE 3.29Å; D159-R186 IonicContact OD2-NH2 3.9Å; D159-R186 PolarHBondContact OD2-NH2 2.9Å | ||
| 160 | P | 90.7 | Very high | 89.1 | Confident | 93 Ų | 93 | 60.9 Ų | 60.9 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.5 | 170.9 | 24.6 | -35.9 | 0 | 0 | 0 | 113.6 | Y158 N162 | Y158-P160 VanDerWaalsContact O-CD 3.28Å; Y158-P160 WeakPolarHBondContact O-CD 3.42Å; P160-N162 VanDerWaalsContact C-N 3.29Å |
| 161 | Q | 92.1 | Very high | 88.4 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.8 | 173.4 | -56.1 | -173.6 | 1.8 | 0 | 0 | 113.8 | D159 Q163 | D159-Q161 PolarHBondContact O-N 2.95Å; D159-Q161 VanDerWaalsContact O-N 3.09Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.38Å; D159-Q161 PolarHBondContact OD1-N 3.27Å; Q161-Q163 HydrophobicContact CB-CG 4.17Å; Q161-Q163 PolarHBondContact O-N 3.46Å |
| 162 | N | 89.8 | Confident | 87.7 | Confident | 143 Ų | 143 | 67.5 Ų | 67.5 | 77% | 0.765 | 33% | 0.325 | S | S | * | . | trans | 59.3 | 19.5 | -177.1 | -62.5 | -77 | 0 | 0 | 0 | 115.3 | D159 P160 R164 | D159-N162 PolarHBondContact O-N 3.25Å; P160-N162 VanDerWaalsContact C-N 3.29Å; N162-R164 VanDerWaalsContact C-N 3.32Å; N162-R164 PolarHBondContact O-N 2.84Å | ||
| 163 | Q | 90.7 | Very high | 87.3 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -78.4 | 80.2 | 175.9 | -53.5 | -174.2 | -16.8 | 0 | 0 | 110.5 | D159 Q161 I165 | D159-Q163 WeakPolarHBondContact OD2-CB 3.4Å; Q161-Q163 HydrophobicContact CB-CG 4.17Å; Q161-Q163 PolarHBondContact O-N 3.46Å; Q163-I165 PolarHBondContact O-N 3.03Å; Q163-I165 VanDerWaalsContact O-N 3.12Å | ||
| 164 | R | 91.3 | Very high | 86.5 | Confident | 161 Ų | 161 | 71.5 Ų | 71.5 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | trans | -58.7 | -24.8 | -173.5 | -92.5 | -175.2 | 168.2 | -163.2 | -3.4 | 116.5 | G156 N162 | G156-R164 WeakPolarHBondContact CA-O 3.15Å; G156-R164 WeakPolarHBondContact O-CA 3.26Å; N162-R164 VanDerWaalsContact C-N 3.32Å; N162-R164 PolarHBondContact O-N 2.84Å | ||
| 165 | I | 93.2 | Very high | 85.8 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | trans | -120.1 | 120.1 | -169.3 | -53.5 | -59 | 0 | 0 | 0 | 110.6 | D131 E132 L154 Q163 K167 | D131-I165 HydrophobicContact CB-CG2 3.96Å; E132-I165 HydrophobicContact CG-CD1 3.69Å; L154-I165 HydrophobicContact CD1-CD1 4Å; L154-I165 HydrophobicContact CD2-CD1 4.42Å; Q163-I165 PolarHBondContact O-N 3.03Å; Q163-I165 VanDerWaalsContact O-N 3.12Å; I165-K167 PolarHBondContact O-N 3.31Å | ||
| 166 | I | 87.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -89.8 | 95.5 | 174.7 | -60.3 | 173.1 | 0 | 0 | 0 | 107.4 | R19 M130 L155 V180 Q183 | R19-I166 WeakPolarHBondContact CD-O 3.49Å; R19-I166 HydrophobicContact CG-CG2 4.38Å; R19-I166 PolarHBondContact NH1-O 3.38Å; M130-I166 HydrophobicContact CB-CB 4.16Å; M130-I166 PolarHBondContact O-N 3.34Å; M130-I166 HydrophobicContact SD-CB 4.22Å; M130-I166 HydrophobicContact SD-CD1 3.71Å; M130-I166 HydrophobicContact SD-CG2 4.27Å; L155-I166 HydrophobicContact CB-CD1 3.96Å; L155-I166 HydrophobicContact CD2-CD1 3.7Å; L155-I166 HydrophobicContact CG-CD1 3.84Å; I166-V180 HydrophobicContact CG2-CB 4.4Å; I166-V180 HydrophobicContact CG2-CG1 3.95Å; I166-V180 HydrophobicContact CG2-CG2 4.01Å; I166-Q183 HydrophobicContact CG1-CB 4.28Å | ||
| 167 | K | 86.2 | Confident | 84.6 | Confident | 163 Ų | 163 | 76.5 Ų | 76.5 | 71% | 0.709 | 39% | 0.388 | S | S | * | . | trans | -57.3 | 145.3 | -176.1 | -68.5 | -178.2 | 177.6 | 179.6 | 0 | 111.5 | R19 I165 P169 V180 | R19-K167 WeakPolarHBondContact CD-O 3.43Å; I165-K167 PolarHBondContact O-N 3.31Å; K167-P169 WeakPolarHBondContact O-CD 3.3Å; K167-V180 WeakPolarHBondContact O-CG2 3.26Å | ||
| 168 | D | 77.8 | Confident | 84 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | trans | -73.4 | 117.7 | 177.5 | -154.7 | -46.7 | 0 | 0 | 0 | 111.2 | R19 Y170 | R19-D168 IonicContact CZ-OD2 3.37Å; R19-D168 IonicContact NE-OD1 2.67Å; R19-D168 IonicContact NE-OD2 2.91Å; R19-D168 PolarHBondContact NE-OD2 3.42Å; R19-D168 VanDerWaalsContact NE-OD2 3.14Å; R19-D168 IonicContact NH2-OD2 3.36Å; R19-D168 PolarHBondContact NH2-OD2 2.96Å; D168-Y170 VanDerWaalsContact C-N 3.27Å; D168-Y170 PolarHBondContact O-N 3.39Å; D168-Y170 VanDerWaalsContact OD1-CB 3.23Å; D168-Y170 WeakPolarHBondContact OD1-CB 3.42Å; D168-Y170 PolarHBondContact OD1-N 3.09Å | ||
| 169 | P | 77.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | trans | -84.1 | 1.2 | -177.7 | 37.7 | -37.8 | 0 | 0 | 0 | 112.7 | C18 R19 K167 Y171 G172 D176 F177 V180 | C18-P169 HydrophobicContact CB-CG 3.88Å; R19-P169 HydrophobicContact CG-CG 4.42Å; K167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-Y171 VanDerWaalsContact C-N 3.35Å; P169-Y171 PolarHBondContact O-N 3.27Å; P169-G172 WeakPolarHBondContact O-CA 3.45Å; P169-G172 PolarHBondContact O-N 2.89Å; P169-D176 HydrophobicContact CB-CB 3.91Å; P169-F177 HydrophobicContact CB-CD1 4.39Å; P169-F177 HydrophobicContact CB-CD2 3.81Å; P169-F177 HydrophobicContact CB-CE1 4.43Å; P169-F177 HydrophobicContact CB-CE2 3.81Å; P169-F177 HydrophobicContact CB-CG 4.1Å; P169-F177 HydrophobicContact CB-CZ 4.14Å; P169-F177 HydrophobicContact CG-CD1 3.98Å; P169-F177 HydrophobicContact CG-CD2 4.25Å; P169-F177 HydrophobicContact CG-CE1 3.83Å; P169-F177 HydrophobicContact CG-CE2 4.07Å; P169-F177 HydrophobicContact CG-CG 4.2Å; P169-F177 HydrophobicContact CG-CZ 3.88Å; P169-F177 WeakPolarHBondContact O-CE2 3.42Å; P169-V180 HydrophobicContact CB-CG2 4.25Å; P169-V180 HydrophobicContact CG-CG2 4.08Å | ||
| 170 | Y | 70.5 | Confident | 83.3 | Confident | 106 Ų | 106 | 78.7 Ų | 78.7 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -44.9 | -171.1 | -175.2 | -102.4 | 0 | 0 | 0 | 113.9 | I17 R97 D168 G172 | I17-Y170 HydrophobicContact CD1-CD2 3.94Å; I17-Y170 HydrophobicContact CD1-CE2 3.64Å; R97-Y170 PolarHBondContact NH1-O 2.89Å; R97-Y170 PolarHBondContact NH2-O 2.89Å; D168-Y170 VanDerWaalsContact C-N 3.27Å; D168-Y170 PolarHBondContact O-N 3.39Å; D168-Y170 VanDerWaalsContact OD1-CB 3.23Å; D168-Y170 WeakPolarHBondContact OD1-CB 3.42Å; D168-Y170 PolarHBondContact OD1-N 3.09Å; Y170-G172 VanDerWaalsContact C-N 3.32Å |
| 171 | Y | 72.5 | Confident | 83.1 | Confident | 224 Ų | 224 | 75.2 Ų | 75.2 | 88% | 0.878 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.4 | 175.4 | -63.1 | -74.4 | 0 | 0 | 0 | 113.8 | P169 | P169-Y171 VanDerWaalsContact C-N 3.35Å; P169-Y171 PolarHBondContact O-N 3.27Å |
| 172 | G | 76.8 | Confident | 83 | Confident | 29 Ų | 29 | 74.4 Ų | 74.4 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -97.2 | -171 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | R97 P169 Y170 | R97-G172 PolarHBondContact NH1-O 2.89Å; P169-G172 WeakPolarHBondContact O-CA 3.45Å; P169-G172 PolarHBondContact O-N 2.89Å; Y170-G172 VanDerWaalsContact C-N 3.32Å |
| 173 | S | 82.9 | Confident | 83 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 43% | 0.427 | 34% | 0.336 | S | S | . | . | trans | -93.2 | 172.1 | 177.7 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | A175 D176 F177 | S173-A175 PolarHBondContact O-N 3.12Å; S173-A175 PolarHBondContact OG-N 2.89Å; S173-D176 PolarHBondContact N-OD2 3.48Å; S173-D176 WeakPolarHBondContact O-CB 3.26Å; S173-D176 PolarHBondContact O-N 3.11Å; S173-D176 PolarHBondContact OG-OD2 3.16Å; S173-F177 PolarHBondContact O-N 3.1Å | ||
| 174 | D | 77.4 | Confident | 82.9 | Confident | 113 Ų | 113 | 65 Ų | 65 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.5 | -26.3 | 173.9 | -62.1 | -21.4 | 0 | 0 | 0 | 112.7 | R97 D176 F177 E178 | R97-D174 WeakPolarHBondContact CG-OD1 3.27Å; D174-D176 VanDerWaalsContact C-N 3.28Å; D174-D176 PolarHBondContact O-N 2.91Å; D174-F177 PolarHBondContact O-N 3.46Å; D174-E178 PolarHBondContact O-N 3.24Å; D174-E178 VanDerWaalsContact O-N 3.08Å |
| 175 | A | 79.3 | Confident | 82.8 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -28.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S173 E178 N179 | S173-A175 PolarHBondContact O-N 3.12Å; S173-A175 PolarHBondContact OG-N 2.89Å; A175-E178 PolarHBondContact O-N 3.06Å; A175-N179 WeakPolarHBondContact O-CB 3.36Å; A175-N179 VanDerWaalsContact O-CG 3.22Å; A175-N179 PolarHBondContact O-N 2.9Å; A175-N179 PolarHBondContact O-ND2 3.07Å; A175-N179 VanDerWaalsContact O-ND2 3.07Å |
| 176 | D | 80.8 | Confident | 82.7 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73 | -32.5 | 174.8 | -59.7 | -72.9 | 0 | 0 | 0 | 111.6 | P169 S173 D174 V180 | P169-D176 HydrophobicContact CB-CB 3.91Å; S173-D176 PolarHBondContact N-OD2 3.48Å; S173-D176 WeakPolarHBondContact O-CB 3.26Å; S173-D176 PolarHBondContact O-N 3.11Å; S173-D176 PolarHBondContact OG-OD2 3.16Å; D174-D176 VanDerWaalsContact C-N 3.28Å; D174-D176 PolarHBondContact O-N 2.91Å; D176-V180 VanDerWaalsContact O-CG2 3.3Å; D176-V180 WeakPolarHBondContact O-CG2 3.49Å; D176-V180 PolarHBondContact O-N 3.01Å |
| 177 | F | 78.6 | Confident | 83 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 169.8 | -76.9 | -95.8 | 0 | 0 | 0 | 112 | C18 I22 D95 R97 C101 P169 S173 D174 V180 Y181 | C18-F177 HydrophobicContact CB-CE1 3.88Å; C18-F177 HydrophobicContact CB-CZ 4.36Å; I22-F177 HydrophobicContact CD1-CD1 4.17Å; D95-F177 HydrophobicContact CB-CE1 4.34Å; D95-F177 HydrophobicContact CB-CZ 4.47Å; R97-F177 HydrophobicContact CB-CD1 4.28Å; R97-F177 HydrophobicContact CB-CD2 3.91Å; R97-F177 HydrophobicContact CB-CE1 4.15Å; R97-F177 HydrophobicContact CB-CE2 3.81Å; R97-F177 HydrophobicContact CB-CG 4.16Å; R97-F177 HydrophobicContact CB-CZ 3.92Å; R97-F177 HydrophobicContact CG-CE2 4.45Å; R97-F177 VanDerWaalsContact CZ-CE2 3.5Å; C101-F177 HydrophobicContact CB-CB 4.41Å; P169-F177 HydrophobicContact CB-CD1 4.39Å; P169-F177 HydrophobicContact CB-CD2 3.81Å; P169-F177 HydrophobicContact CB-CE1 4.43Å; P169-F177 HydrophobicContact CB-CE2 3.81Å; P169-F177 HydrophobicContact CB-CG 4.1Å; P169-F177 HydrophobicContact CB-CZ 4.14Å; P169-F177 HydrophobicContact CG-CD1 3.98Å; P169-F177 HydrophobicContact CG-CD2 4.25Å; P169-F177 HydrophobicContact CG-CE1 3.83Å; P169-F177 HydrophobicContact CG-CE2 4.07Å; P169-F177 HydrophobicContact CG-CG 4.2Å; P169-F177 HydrophobicContact CG-CZ 3.88Å; P169-F177 WeakPolarHBondContact O-CE2 3.42Å; S173-F177 PolarHBondContact O-N 3.1Å; D174-F177 PolarHBondContact O-N 3.46Å; F177-V180 PolarHBondContact O-N 3.06Å; F177-Y181 PolarHBondContact O-N 2.83Å |
| 178 | E | 81.8 | Confident | 83.2 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174 | -167.1 | 72.7 | -118.9 | 0 | 0 | 111.3 | K104 H105 D174 A175 V180 Y181 E182 | K104-E178 IonicContact NZ-OE2 2.68Å; K104-E178 PolarHBondContact NZ-OE2 2.83Å; H105-E178 IonicContact CD2-OE1 3.48Å; H105-E178 IonicContact CE1-OE1 3.78Å; H105-E178 PolarHBondContact CE1-OE1 3.44Å; H105-E178 IonicContact NE2-OE1 2.74Å; H105-E178 PolarHBondContact NE2-OE1 2.85Å; H105-E178 IonicContact NE2-OE2 3.81Å; D174-E178 PolarHBondContact O-N 3.24Å; D174-E178 VanDerWaalsContact O-N 3.08Å; A175-E178 PolarHBondContact O-N 3.06Å; E178-V180 VanDerWaalsContact C-N 3.32Å; E178-V180 PolarHBondContact O-N 3.05Å; E178-Y181 WeakPolarHBondContact O-CB 3.41Å; E178-Y181 PolarHBondContact O-N 2.71Å; E178-Y181 VanDerWaalsContact O-N 3.11Å; E178-E182 PolarHBondContact O-N 3.37Å |
| 179 | N | 86.4 | Confident | 83.8 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 174.6 | -73 | -37.8 | 0 | 0 | 0 | 112.4 | A175 Q183 | A175-N179 WeakPolarHBondContact O-CB 3.36Å; A175-N179 VanDerWaalsContact O-CG 3.22Å; A175-N179 PolarHBondContact O-N 2.9Å; A175-N179 PolarHBondContact O-ND2 3.07Å; A175-N179 VanDerWaalsContact O-ND2 3.07Å; N179-Q183 WeakPolarHBondContact O-CB 3.4Å; N179-Q183 WeakPolarHBondContact O-CG 3.41Å; N179-Q183 PolarHBondContact O-N 2.76Å |
| 180 | V | 85.1 | Confident | 84.5 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.7 | 164.1 | 0 | 0 | 0 | 0 | 111.2 | R19 I22 I166 K167 P169 D176 F177 E178 Q183 C184 | R19-V180 HydrophobicContact CB-CG1 4.43Å; R19-V180 HydrophobicContact CG-CG1 4.1Å; I22-V180 HydrophobicContact CD1-CG1 4.19Å; I166-V180 HydrophobicContact CG2-CB 4.4Å; I166-V180 HydrophobicContact CG2-CG1 3.95Å; I166-V180 HydrophobicContact CG2-CG2 4.01Å; K167-V180 WeakPolarHBondContact O-CG2 3.26Å; P169-V180 HydrophobicContact CB-CG2 4.25Å; P169-V180 HydrophobicContact CG-CG2 4.08Å; D176-V180 VanDerWaalsContact O-CG2 3.3Å; D176-V180 WeakPolarHBondContact O-CG2 3.49Å; D176-V180 PolarHBondContact O-N 3.01Å; F177-V180 PolarHBondContact O-N 3.06Å; E178-V180 VanDerWaalsContact C-N 3.32Å; E178-V180 PolarHBondContact O-N 3.05Å; V180-Q183 PolarHBondContact O-N 2.69Å; V180-C184 WeakPolarHBondContact O-CB 3.5Å; V180-C184 PolarHBondContact O-N 3.14Å; V180-C184 PolarHBondContact O-SG 2.99Å |
| 181 | Y | 86.7 | Confident | 85.5 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 8% | 0.078 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -48 | 175.5 | 168.7 | -92.9 | 0 | 0 | 0 | 111.8 | I22 V26 L102 H105 I107 F177 E178 Q183 C184 L185 | I22-Y181 HydrophobicContact CG2-CD2 4.18Å; V26-Y181 HydrophobicContact CG2-CD2 3.69Å; V26-Y181 HydrophobicContact CG2-CE2 3.49Å; V26-Y181 VanDerWaalsContact CG2-CE2 3.49Å; L102-Y181 HydrophobicContact CD2-CD2 4.36Å; H105-Y181 HydrophobicContact CB-CE1 4.39Å; H105-Y181 HydrophobicContact CB-CE2 4.06Å; H105-Y181 WeakPolarHBondContact CB-OH 3.33Å; H105-Y181 AromaticContact CD2-CD1 3.61Å; H105-Y181 AromaticContact CD2-CE1 3.35Å; H105-Y181 WeakPolarHBondContact CD2-CE1 3.33Å; H105-Y181 AromaticContact CD2-CE2 3.85Å; H105-Y181 AromaticContact CD2-CG 3.99Å; H105-Y181 AromaticContact CD2-CZ 3.47Å; H105-Y181 VanDerWaalsContact CD2-CZ 3.47Å; H105-Y181 AromaticContact CE1-CD1 3.94Å; H105-Y181 AromaticContact CE1-CE1 3.38Å; H105-Y181 WeakPolarHBondContact CE1-CE1 3.34Å; H105-Y181 AromaticContact CG-CE1 3.52Å; H105-Y181 AromaticContact CG-CE2 3.95Å; H105-Y181 AromaticContact CG-CZ 3.33Å; H105-Y181 AromaticContact ND1-CE1 3.55Å; H105-Y181 AromaticContact ND1-CZ 3.71Å; H105-Y181 AromaticContact NE2-CD1 3.4Å; H105-Y181 WeakPolarHBondContact NE2-CD1 3.23Å; H105-Y181 AromaticContact NE2-CE1 3.26Å; H105-Y181 VanDerWaalsContact NE2-CE1 3.26Å; H105-Y181 WeakPolarHBondContact NE2-CE1 3.44Å; H105-Y181 AromaticContact NE2-CZ 3.89Å; I107-Y181 HydrophobicContact CD1-CE2 3.91Å; F177-Y181 PolarHBondContact O-N 2.83Å; E178-Y181 WeakPolarHBondContact O-CB 3.41Å; E178-Y181 PolarHBondContact O-N 2.71Å; E178-Y181 VanDerWaalsContact O-N 3.11Å; Y181-Q183 PolarHBondContact O-N 2.99Å; Y181-C184 PolarHBondContact O-N 2.78Å; Y181-L185 HydrophobicContact CE1-CD2 4.35Å; Y181-L185 WeakPolarHBondContact O-CB 3.45Å; Y181-L185 PolarHBondContact O-N 2.67Å |
| 182 | E | 89.4 | Confident | 86.3 | Confident | 94 Ų | 94 | 39.7 Ų | 39.7 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.5 | -71 | -168.1 | 173.9 | 0 | 0 | 112.5 | E178 L185 R186 | E178-E182 PolarHBondContact O-N 3.37Å; E182-L185 PolarHBondContact O-N 2.91Å; E182-R186 WeakPolarHBondContact O-CG 3.32Å; E182-R186 PolarHBondContact O-N 3.41Å; E182-R186 IonicContact OE2-NH1 3.99Å |
| 183 | Q | 90.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 174 | -78.9 | 178.7 | -7.6 | 0 | 0 | 111.1 | I166 N179 V180 Y181 L185 R186 C187 | I166-Q183 HydrophobicContact CG1-CB 4.28Å; N179-Q183 WeakPolarHBondContact O-CB 3.4Å; N179-Q183 WeakPolarHBondContact O-CG 3.41Å; N179-Q183 PolarHBondContact O-N 2.76Å; V180-Q183 PolarHBondContact O-N 2.69Å; Y181-Q183 PolarHBondContact O-N 2.99Å; Q183-L185 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 3.08Å; Q183-R186 PolarHBondContact O-N 3.35Å; Q183-C187 WeakPolarHBondContact O-CB 3.36Å; Q183-C187 PolarHBondContact O-N 3.36Å; Q183-C187 PolarHBondContact O-SG 3.36Å |
| 184 | C | 87.6 | Confident | 87 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 176.4 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | I22 A23 V180 Y181 C187 C188 | I22-C184 HydrophobicContact CG2-CB 4.25Å; A23-C184 HydrophobicContact CB-CB 4.4Å; V180-C184 WeakPolarHBondContact O-CB 3.5Å; V180-C184 PolarHBondContact O-N 3.14Å; V180-C184 PolarHBondContact O-SG 2.99Å; Y181-C184 PolarHBondContact O-N 2.78Å; C184-C187 PolarHBondContact O-N 3.04Å; C184-C188 WeakPolarHBondContact O-CB 3.39Å; C184-C188 PolarHBondContact O-N 2.74Å; C184-C188 PolarHBondContact O-SG 2.94Å |
| 185 | L | 89.6 | Confident | 87.2 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60 | -48.4 | 178.3 | -174.1 | 67.9 | 0 | 0 | 0 | 112.4 | V26 M30 Y181 E182 Q183 K189 | V26-L185 HydrophobicContact CG1-CB 4.27Å; V26-L185 HydrophobicContact CG1-CD1 3.88Å; M30-L185 HydrophobicContact CG-CD1 4.41Å; M30-L185 HydrophobicContact SD-CD1 3.88Å; Y181-L185 HydrophobicContact CE1-CD2 4.35Å; Y181-L185 WeakPolarHBondContact O-CB 3.45Å; Y181-L185 PolarHBondContact O-N 2.67Å; E182-L185 PolarHBondContact O-N 2.91Å; Q183-L185 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 3.08Å; L185-K189 VanDerWaalsContact O-CB 3.29Å; L185-K189 WeakPolarHBondContact O-CB 3.47Å; L185-K189 PolarHBondContact O-N 2.89Å |
| 186 | R | 92.3 | Very high | 86.6 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 177.7 | -66 | -169.3 | -52.5 | -94.9 | 6.6 | 112.1 | D159 E182 Q183 K189 A190 | D159-R186 IonicContact OD1-CZ 3.44Å; D159-R186 IonicContact OD1-NE 3.83Å; D159-R186 PolarHBondContact OD1-NE 3.45Å; D159-R186 IonicContact OD1-NH2 3.87Å; D159-R186 IonicContact OD2-CZ 3.06Å; D159-R186 IonicContact OD2-NE 3.84Å; D159-R186 PolarHBondContact OD2-NE 3.29Å; D159-R186 IonicContact OD2-NH2 3.9Å; D159-R186 PolarHBondContact OD2-NH2 2.9Å; E182-R186 WeakPolarHBondContact O-CG 3.32Å; E182-R186 PolarHBondContact O-N 3.41Å; E182-R186 IonicContact OE2-NH1 3.99Å; Q183-R186 PolarHBondContact O-N 3.35Å; R186-K189 PolarHBondContact O-N 3.09Å; R186-A190 PolarHBondContact O-N 2.94Å; R186-A190 VanDerWaalsContact O-N 3.09Å |
| 187 | C | 93.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 112 | L155 Q183 C184 K189 A190 F191 | L155-C187 HydrophobicContact CD1-CB 3.56Å; L155-C187 HydrophobicContact CD2-CB 4.46Å; L155-C187 HydrophobicContact CG-CB 3.63Å; L155-C187 WeakPolarHBondContact O-CB 3.44Å; L155-C187 PolarHBondContact O-SG 2.93Å; Q183-C187 WeakPolarHBondContact O-CB 3.36Å; Q183-C187 PolarHBondContact O-N 3.36Å; Q183-C187 PolarHBondContact O-SG 3.36Å; C184-C187 PolarHBondContact O-N 3.04Å; C187-K189 VanDerWaalsContact C-N 3.3Å; C187-K189 PolarHBondContact O-N 3.46Å; C187-A190 PolarHBondContact O-N 3.01Å; C187-F191 WeakPolarHBondContact O-CB 3.28Å; C187-F191 PolarHBondContact O-N 3.35Å |
| 188 | C | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 177.4 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | V26 F27 M30 C184 L192 | V26-C188 HydrophobicContact CG1-CB 4.1Å; F27-C188 HydrophobicContact CB-CB 4.29Å; F27-C188 HydrophobicContact CD2-CB 3.96Å; M30-C188 HydrophobicContact SD-CB 4.21Å; C184-C188 WeakPolarHBondContact O-CB 3.39Å; C184-C188 PolarHBondContact O-N 2.74Å; C184-C188 PolarHBondContact O-SG 2.94Å; C188-L192 VanDerWaalsContact O-CB 3.24Å; C188-L192 WeakPolarHBondContact O-CB 3.33Å; C188-L192 PolarHBondContact O-N 2.94Å |
| 189 | K | 90.7 | Very high | 87.6 | Confident | 105 Ų | 105 | 47.6 Ų | 47.6 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -56.3 | 173.6 | -173.6 | 170.4 | 176 | 177 | 0 | 111.8 | M30 L185 R186 C187 F191 L192 E193 | M30-K189 HydrophobicContact CE-CB 3.5Å; M30-K189 HydrophobicContact CE-CD 4.08Å; M30-K189 HydrophobicContact CE-CG 3.63Å; M30-K189 HydrophobicContact SD-CB 3.91Å; L185-K189 VanDerWaalsContact O-CB 3.29Å; L185-K189 WeakPolarHBondContact O-CB 3.47Å; L185-K189 PolarHBondContact O-N 2.89Å; R186-K189 PolarHBondContact O-N 3.09Å; C187-K189 VanDerWaalsContact C-N 3.3Å; C187-K189 PolarHBondContact O-N 3.46Å; K189-F191 VanDerWaalsContact C-N 3.31Å; K189-F191 PolarHBondContact O-N 3.12Å; K189-L192 PolarHBondContact O-N 3.22Å; K189-E193 WeakPolarHBondContact CE-OE1 3.42Å; K189-E193 HydrophobicContact CG-CG 4.49Å; K189-E193 IonicContact NZ-OE1 2.99Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 3.26Å |
| 190 | A | 92.8 | Very high | 87.7 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 21% | 0.207 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -36.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y158 R186 C187 K194 | Y158-A190 WeakPolarHBondContact O-CB 3.5Å; R186-A190 PolarHBondContact O-N 2.94Å; R186-A190 VanDerWaalsContact O-N 3.09Å; C187-A190 PolarHBondContact O-N 3.01Å; A190-K194 VanDerWaalsContact O-CB 3.25Å; A190-K194 WeakPolarHBondContact O-CB 3.42Å; A190-K194 PolarHBondContact O-N 3.07Å |
| 191 | F | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 172.5 | 177.7 | -100.7 | 0 | 0 | 0 | 111.8 | V9 F27 W40 Y126 L128 Y158 C187 K189 N195 | V9-F191 HydrophobicContact CB-CE1 4.28Å; V9-F191 HydrophobicContact CG2-CE1 3.98Å; V9-F191 HydrophobicContact CG2-CZ 4.17Å; F27-F191 HydrophobicContact CD2-CD1 4.33Å; F27-F191 AromaticContact CE2-CD1 3.59Å; F27-F191 HydrophobicContact CE2-CD1 3.59Å; F27-F191 HydrophobicContact CE2-CE1 4.04Å; F27-F191 HydrophobicContact CZ-CD1 4.07Å; F27-F191 HydrophobicContact CZ-CE1 4.04Å; W40-F191 AromaticContact CH2-CE1 3.6Å; W40-F191 HydrophobicContact CH2-CE1 3.6Å; W40-F191 AromaticContact CH2-CZ 3.92Å; W40-F191 HydrophobicContact CH2-CZ 3.92Å; W40-F191 AromaticContact CZ3-CE1 3.85Å; W40-F191 HydrophobicContact CZ3-CE1 3.85Å; W40-F191 HydrophobicContact CZ3-CZ 4.16Å; Y126-F191 AromaticContact CD1-CE2 3.79Å; Y126-F191 HydrophobicContact CD1-CE2 3.79Å; Y126-F191 HydrophobicContact CD1-CZ 4.04Å; Y126-F191 HydrophobicContact CD2-CE2 4.36Å; Y126-F191 AromaticContact CD2-CZ 3.8Å; Y126-F191 HydrophobicContact CD2-CZ 3.8Å; Y126-F191 HydrophobicContact CE1-CE2 4.19Å; Y126-F191 HydrophobicContact CE2-CZ 4.35Å; Y126-F191 AromaticContact CG-CE2 3.92Å; Y126-F191 HydrophobicContact CG-CE2 3.92Å; Y126-F191 AromaticContact CG-CZ 3.67Å; Y126-F191 HydrophobicContact CG-CZ 3.67Å; L128-F191 HydrophobicContact CD1-CD1 3.99Å; L128-F191 HydrophobicContact CD1-CD2 3.83Å; L128-F191 HydrophobicContact CD1-CE1 4Å; L128-F191 HydrophobicContact CD1-CE2 3.83Å; L128-F191 HydrophobicContact CD1-CG 3.93Å; L128-F191 HydrophobicContact CD1-CZ 3.93Å; L128-F191 HydrophobicContact CD2-CE2 4.3Å; Y158-F191 HydrophobicContact CD1-CB 4.01Å; Y158-F191 HydrophobicContact CD1-CD2 4.06Å; Y158-F191 HydrophobicContact CD2-CD2 4.28Å; Y158-F191 HydrophobicContact CE1-CB 4.43Å; Y158-F191 AromaticContact CE1-CD2 3.63Å; Y158-F191 HydrophobicContact CE1-CD2 3.63Å; Y158-F191 HydrophobicContact CE1-CE2 4.46Å; Y158-F191 AromaticContact CE2-CD2 3.9Å; Y158-F191 HydrophobicContact CE2-CD2 3.9Å; Y158-F191 HydrophobicContact CG-CB 4.08Å; Y158-F191 HydrophobicContact CG-CD2 4.36Å; Y158-F191 AromaticContact CZ-CD2 3.56Å; C187-F191 WeakPolarHBondContact O-CB 3.28Å; C187-F191 PolarHBondContact O-N 3.35Å; K189-F191 VanDerWaalsContact C-N 3.31Å; K189-F191 PolarHBondContact O-N 3.12Å; F191-N195 VanDerWaalsContact CD2-ND2 3.32Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.3Å; F191-N195 VanDerWaalsContact CE2-ND2 3.29Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.42Å; F191-N195 WeakPolarHBondContact O-CB 3.36Å; F191-N195 PolarHBondContact O-N 3.39Å; F191-N195 VanDerWaalsContact O-N 3.14Å; F191-N195 PolarHBondContact O-ND2 3.19Å |
| 192 | L | 87.8 | Confident | 88 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.1 | -173.5 | 61.3 | 0 | 0 | 0 | 111.2 | F27 M30 V36 W40 C188 K189 K194 N195 S196 | F27-L192 HydrophobicContact CE2-CB 3.91Å; F27-L192 HydrophobicContact CE2-CD1 3.94Å; F27-L192 HydrophobicContact CE2-CG 4.43Å; F27-L192 HydrophobicContact CZ-CD1 3.84Å; M30-L192 HydrophobicContact CB-CD2 4.03Å; V36-L192 HydrophobicContact CG2-CD1 4.01Å; W40-L192 HydrophobicContact CZ2-CD1 4.13Å; C188-L192 VanDerWaalsContact O-CB 3.24Å; C188-L192 WeakPolarHBondContact O-CB 3.33Å; C188-L192 PolarHBondContact O-N 2.94Å; K189-L192 PolarHBondContact O-N 3.22Å; L192-K194 PolarHBondContact O-N 3.06Å; L192-N195 CarbonylContact O-C 3.52Å; L192-N195 PolarHBondContact O-N 2.85Å; L192-N195 VanDerWaalsContact O-N 3.14Å; L192-S196 WeakPolarHBondContact O-CB 3.4Å; L192-S196 PolarHBondContact O-N 3.21Å; L192-S196 PolarHBondContact O-OG 2.77Å |
| 193 | E | 87.8 | Confident | 87.9 | Confident | 127 Ų | 127 | 46.7 Ų | 46.7 | 59% | 0.593 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.3 | -43.1 | 179.7 | -72.7 | 172.8 | 170.8 | 0 | 0 | 112.1 | K189 N195 | K189-E193 WeakPolarHBondContact CE-OE1 3.42Å; K189-E193 HydrophobicContact CG-CG 4.49Å; K189-E193 IonicContact NZ-OE1 2.99Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 3.26Å; E193-N195 PolarHBondContact O-N 3.44Å |
| 194 | K | 87 | Confident | 87.7 | Confident | 150 Ų | 150 | 48.5 Ų | 48.5 | 65% | 0.652 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67 | -24 | 176.5 | -165.5 | -164.2 | -172.6 | 178.9 | 0 | 113.2 | Y158 A190 L192 | Y158-K194 HydrophobicContact CD1-CD 4.25Å; Y158-K194 HydrophobicContact CE1-CD 3.67Å; A190-K194 VanDerWaalsContact O-CB 3.25Å; A190-K194 WeakPolarHBondContact O-CB 3.42Å; A190-K194 PolarHBondContact O-N 3.07Å; L192-K194 PolarHBondContact O-N 3.06Å |
| 195 | N | 81.8 | Confident | 87.7 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 22.2 | -173 | -61.8 | -79.4 | 0 | 0 | 0 | 113.9 | K7 W40 F191 L192 E193 | K7-N195 VanDerWaalsContact CD-O 3.3Å; K7-N195 WeakPolarHBondContact CD-O 3.22Å; K7-N195 PolarHBondContact NZ-O 3.31Å; W40-N195 HydrophobicContact CH2-CB 3.74Å; W40-N195 HydrophobicContact CZ2-CB 3.85Å; W40-N195 VanDerWaalsContact CZ2-O 3.27Å; W40-N195 WeakPolarHBondContact CZ2-O 3.08Å; F191-N195 VanDerWaalsContact CD2-ND2 3.32Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.3Å; F191-N195 VanDerWaalsContact CE2-ND2 3.29Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.42Å; F191-N195 WeakPolarHBondContact O-CB 3.36Å; F191-N195 PolarHBondContact O-N 3.39Å; F191-N195 VanDerWaalsContact O-N 3.14Å; F191-N195 PolarHBondContact O-ND2 3.19Å; L192-N195 CarbonylContact O-C 3.52Å; L192-N195 PolarHBondContact O-N 2.85Å; L192-N195 VanDerWaalsContact O-N 3.14Å; E193-N195 PolarHBondContact O-N 3.44Å |
| 196 | S | 67.1 | Low | 87.5 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 59% | 0.594 | 26% | 0.257 | S | S | * | . | trans | -77.9 | 0 | 175.2 | -72.1 | 0 | 0 | 0 | 0 | 114.2 | K7 L192 | K7-S196 PolarHBondContact NZ-O 2.72Å; L192-S196 WeakPolarHBondContact O-CB 3.4Å; L192-S196 PolarHBondContact O-N 3.21Å; L192-S196 PolarHBondContact O-OG 2.77Å |
Retrieved 196 of 196 residues in 439.4 ms
(Link to these results)