| 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 | 41.8 | Very low | 81.2 | Confident | 237 Ų | 237 | 64.1 Ų | 64.1 | 100% | 1.167 | 32% | 0.315 | S | S | * | . | 0 | 120 | 0 | -168.7 | 176.2 | -78 | 0 | 0 | 106.6 | |||||
| 2 | L | 51.7 | Low | 82.3 | Confident | 148 Ų | 148 | 58.8 Ų | 58.8 | 78% | 0.775 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 131.8 | 176.7 | -77.3 | 165.5 | 0 | 0 | 0 | 108.1 | Y4 | L2-Y4 PolarHBondContact O-N 2.88Å; L2-Y4 VanDerWaalsContact O-N 3.12Å |
| 3 | P | 59.2 | Low | 83.4 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 53% | 0.532 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 122.4 | -179.7 | 19.6 | -28.9 | 0 | 0 | 0 | 109.3 | ||
| 4 | Y | 78.5 | Confident | 84.2 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 33% | 0.329 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 136.8 | 176.2 | 175.2 | -89.3 | 0 | 0 | 0 | 109.8 | L2 D6 F57 N198 A199 A202 | L2-Y4 PolarHBondContact O-N 2.88Å; L2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-D6 PolarHBondContact OH-OD1 3.37Å; Y4-F57 HydrophobicContact CD1-CB 4.33Å; Y4-F57 AromaticContact CD1-CD2 3.97Å; Y4-F57 HydrophobicContact CD1-CD2 3.97Å; Y4-F57 HydrophobicContact CD1-CG 4.29Å; Y4-F57 AromaticContact CE1-CD2 3.92Å; Y4-F57 HydrophobicContact CE1-CD2 3.92Å; Y4-N198 HydrophobicContact CD2-CB 4.04Å; Y4-N198 HydrophobicContact CE2-CB 4.33Å; Y4-A199 WeakPolarHBondContact OH-CA 3.43Å; Y4-A202 HydrophobicContact CD2-CB 4.35Å; Y4-A202 HydrophobicContact CE2-CB 3.71Å |
| 5 | F | 89.4 | Confident | 84.9 | Confident | 42 Ų | 42 | 47 Ų | 47 | 18% | 0.184 | 23% | 0.231 | C | C | . | . | trans | -151.3 | 147.2 | 169.2 | 64.4 | -95 | 0 | 0 | 0 | 109.7 | Y7 Q8 T49 K59 | F5-Y7 WeakPolarHBondContact CD2-O 3.49Å; F5-Q8 HydrophobicContact CD2-CB 4.31Å; F5-Q8 HydrophobicContact CE2-CB 3.82Å; F5-Q8 HydrophobicContact CZ-CB 4.42Å; F5-T49 HydrophobicContact CB-CG2 4.3Å; F5-K59 HydrophobicContact CB-CB 3.98Å; F5-K59 HydrophobicContact CD1-CB 3.85Å; F5-K59 HydrophobicContact CD1-CD 3.88Å; F5-K59 HydrophobicContact CD1-CG 4.48Å; F5-K59 HydrophobicContact CD2-CB 4.11Å; F5-K59 HydrophobicContact CE1-CB 4.36Å; F5-K59 HydrophobicContact CE1-CD 3.72Å; F5-K59 HydrophobicContact CG-CB 3.71Å; F5-K59 HydrophobicContact CZ-CD 4.27Å | ||
| 6 | D | 92.1 | Very high | 85.4 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -88.1 | -34.6 | 176.4 | -54 | -74.9 | 0 | 0 | 0 | 111.1 | Y4 F57 Q195 G196 | Y4-D6 PolarHBondContact OH-OD1 3.37Å; D6-F57 PolarHBondContact N-O 3.03Å; D6-F57 PolarHBondContact OD2-N 3.38Å; D6-Q195 CarbonylContact O-C 3.53Å; D6-Q195 WeakPolarHBondContact O-CA 3.04Å; D6-Q195 WeakPolarHBondContact O-CG 3.37Å; D6-G196 PolarHBondContact O-N 3.43Å |
| 7 | Y | 94.4 | Very high | 85.8 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 14% | 0.137 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.6 | 177.9 | -58.4 | -87.9 | 0 | 0 | 0 | 112.2 | F5 F9 V56 F57 V58 K59 Y173 V176 V193 K194 Q195 | F5-Y7 WeakPolarHBondContact CD2-O 3.49Å; Y7-F9 HydrophobicContact CD1-CE1 4.44Å; Y7-F9 HydrophobicContact CG-CE1 4.17Å; Y7-F9 HydrophobicContact CG-CZ 4.29Å; Y7-V56 HydrophobicContact CD2-CG1 4.22Å; Y7-V56 HydrophobicContact CE2-CG1 4.34Å; Y7-F57 PolarHBondContact N-O 2.94Å; Y7-V58 CarbonylContact O-C 3.53Å; Y7-V58 WeakPolarHBondContact O-CA 3.26Å; Y7-K59 PolarHBondContact O-N 2.78Å; Y7-Y173 HydrophobicContact CD2-CD2 4.11Å; Y7-Y173 AromaticContact CD2-CE2 3.93Å; Y7-Y173 HydrophobicContact CD2-CE2 3.93Å; Y7-Y173 HydrophobicContact CE2-CD2 4.07Å; Y7-Y173 AromaticContact CE2-CE2 3.45Å; Y7-Y173 HydrophobicContact CE2-CE2 3.45Å; Y7-Y173 VanDerWaalsContact CE2-CE2 3.45Å; Y7-Y173 AromaticContact CZ-CE2 3.98Å; Y7-V176 HydrophobicContact CD1-CG1 4.25Å; Y7-V176 HydrophobicContact CE1-CG1 3.79Å; Y7-V193 HydrophobicContact CD1-CG1 4.48Å; Y7-K194 CarbonylContact C-O 3.55Å; Y7-K194 VanDerWaalsContact CA-O 3.26Å; Y7-K194 WeakPolarHBondContact CA-O 3.27Å; Y7-Q195 HydrophobicContact CD1-CG 4.37Å; Y7-Q195 HydrophobicContact CE1-CG 4.04Å |
| 8 | Q | 94.9 | Very high | 86.1 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.5 | 170.3 | -174.9 | -172.3 | -89.2 | 0 | 0 | 109.3 | F5 K59 Q61 V193 K194 | F5-Q8 HydrophobicContact CD2-CB 4.31Å; F5-Q8 HydrophobicContact CE2-CB 3.82Å; F5-Q8 HydrophobicContact CZ-CB 4.42Å; Q8-K59 CarbonylContact C-O 3.6Å; Q8-K59 WeakPolarHBondContact CA-O 3.3Å; Q8-K59 HydrophobicContact CB-CB 4.36Å; Q8-K59 HydrophobicContact CG-CB 4.23Å; Q8-K59 HydrophobicContact CG-CD 4.42Å; Q8-K59 HydrophobicContact CG-CG 4.33Å; Q8-K59 WeakPolarHBondContact CG-O 3.34Å; Q8-Q61 VanDerWaalsContact CD-CD 3.44Å; Q8-Q61 HydrophobicContact CG-CG 3.87Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.14Å; Q8-V193 CarbonylContact O-C 3.45Å; Q8-V193 WeakPolarHBondContact O-CA 3.43Å; Q8-K194 HydrophobicContact CB-CB 4.21Å; Q8-K194 PolarHBondContact N-O 2.93Å; Q8-K194 PolarHBondContact O-N 3.09Å |
| 9 | F | 97.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.2 | 179.6 | -55.7 | -27.5 | 0 | 0 | 0 | 111.4 | Y7 V58 K59 L60 Q61 V83 I172 Y173 V176 G192 V193 | Y7-F9 HydrophobicContact CD1-CE1 4.44Å; Y7-F9 HydrophobicContact CG-CE1 4.17Å; Y7-F9 HydrophobicContact CG-CZ 4.29Å; F9-V58 HydrophobicContact CB-CG1 4.49Å; F9-V58 HydrophobicContact CD1-CG1 4.5Å; F9-V58 HydrophobicContact CD2-CG1 3.24Å; F9-V58 HydrophobicContact CE2-CB 4.26Å; F9-V58 HydrophobicContact CE2-CG1 3.37Å; F9-V58 HydrophobicContact CE2-CG2 3.85Å; F9-V58 HydrophobicContact CG-CG1 3.84Å; F9-V58 HydrophobicContact CZ-CG1 4.07Å; F9-V58 HydrophobicContact CZ-CG2 4.14Å; F9-K59 PolarHBondContact N-O 3.45Å; F9-L60 HydrophobicContact CB-CD2 4.05Å; F9-L60 HydrophobicContact CD2-CD2 4.13Å; F9-Q61 PolarHBondContact O-N 3.02Å; F9-V83 HydrophobicContact CB-CG2 3.97Å; F9-I172 HydrophobicContact CB-CD1 4.22Å; F9-I172 HydrophobicContact CB-CG2 4.32Å; F9-I172 HydrophobicContact CD1-CG2 3.78Å; F9-I172 HydrophobicContact CD2-CB 3.74Å; F9-I172 HydrophobicContact CD2-CD1 4.01Å; F9-I172 HydrophobicContact CD2-CG2 3.51Å; F9-I172 HydrophobicContact CE1-CG2 3.92Å; F9-I172 HydrophobicContact CE2-CB 3.81Å; F9-I172 HydrophobicContact CE2-CG2 3.65Å; F9-I172 HydrophobicContact CG-CB 4.32Å; F9-I172 HydrophobicContact CG-CD1 4.37Å; F9-I172 HydrophobicContact CG-CG2 3.61Å; F9-I172 HydrophobicContact CZ-CB 4.43Å; F9-I172 HydrophobicContact CZ-CG2 3.87Å; F9-Y173 HydrophobicContact CZ-CD2 4.46Å; F9-V176 HydrophobicContact CE1-CG2 3.88Å; F9-V176 HydrophobicContact CZ-CG2 4.11Å; F9-G192 WeakPolarHBondContact CA-O 3.41Å; F9-V193 HydrophobicContact CD1-CB 4.39Å; F9-V193 HydrophobicContact CD1-CG1 4.09Å; F9-V193 HydrophobicContact CD1-CG2 3.88Å; F9-V193 HydrophobicContact CE1-CG1 3.87Å; F9-V193 HydrophobicContact CE1-CG2 4.17Å |
| 10 | R | 96.3 | Very high | 86.9 | Confident | 43 Ų | 43 | 46 Ų | 46 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.5 | 171.4 | -74.2 | -169.7 | 163.7 | 167.9 | 9.5 | 111.5 | Q61 N81 V83 G84 D191 G192 | R10-Q61 HydrophobicContact CG-CB 4.22Å; R10-N81 WeakPolarHBondContact CB-O 3.41Å; R10-V83 WeakPolarHBondContact O-CG2 3.23Å; R10-V83 PolarHBondContact O-N 2.88Å; R10-G84 PolarHBondContact O-N 2.94Å; R10-G84 VanDerWaalsContact O-N 3.1Å; R10-D191 IonicContact CZ-OD1 3.81Å; R10-D191 IonicContact CZ-OD2 3.74Å; R10-D191 IonicContact NH1-OD1 3.04Å; R10-D191 PolarHBondContact NH1-OD1 2.69Å; R10-D191 IonicContact NH1-OD2 2.79Å; R10-D191 PolarHBondContact NH1-OD2 2.95Å; R10-D191 IonicContact NH2-OD1 3.76Å; R10-D191 IonicContact NH2-OD2 2.64Å; R10-D191 PolarHBondContact NH2-OD2 3.29Å; R10-G192 PolarHBondContact N-O 2.83Å |
| 11 | V | 97.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138 | -177.7 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | L60 Q61 L62 W63 G84 V86 L168 I172 | V11-L60 HydrophobicContact CG2-CD2 4.12Å; V11-Q61 PolarHBondContact N-O 3.26Å; V11-Q61 VanDerWaalsContact O-O 3.08Å; V11-L62 HydrophobicContact CB-CD2 3.81Å; V11-L62 HydrophobicContact CG1-CD2 3.96Å; V11-L62 HydrophobicContact CG2-CD2 4.38Å; V11-L62 WeakPolarHBondContact O-CA 3.12Å; V11-W63 PolarHBondContact O-N 3.29Å; V11-G84 VanDerWaalsContact CA-O 3.27Å; V11-G84 WeakPolarHBondContact CA-O 3.35Å; V11-V86 HydrophobicContact CG1-CG2 4.16Å; V11-L168 HydrophobicContact CB-CD2 4.24Å; V11-L168 HydrophobicContact CG1-CD2 3.45Å; V11-L168 VanDerWaalsContact CG1-CD2 3.45Å; V11-L168 HydrophobicContact CG2-CD2 3.72Å; V11-I172 HydrophobicContact CG2-CD1 4.35Å |
| 12 | I | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143 | 173.2 | -163.8 | 168.2 | 0 | 0 | 0 | 110.1 | I14 W63 T65 T75 Y79 C82 G84 V85 V86 | I12-I14 HydrophobicContact CD1-CG2 4.22Å; I12-I14 HydrophobicContact CG1-CG2 3.93Å; I12-I14 HydrophobicContact CG2-CG2 4.3Å; I12-W63 HydrophobicContact CB-CB 4.46Å; I12-W63 HydrophobicContact CG1-CB 4.12Å; I12-T65 HydrophobicContact CD1-CG2 3.69Å; I12-T65 HydrophobicContact CG1-CG2 3.56Å; I12-T75 HydrophobicContact CD1-CG2 4.32Å; I12-Y79 HydrophobicContact CD1-CD1 3.77Å; I12-Y79 HydrophobicContact CD1-CE1 3.85Å; I12-Y79 HydrophobicContact CD1-CG 4.45Å; I12-Y79 HydrophobicContact CG2-CD1 4.14Å; I12-Y79 HydrophobicContact CG2-CE1 4.32Å; I12-C82 HydrophobicContact CB-CB 4.49Å; I12-C82 HydrophobicContact CG2-CB 4.18Å; I12-G84 PolarHBondContact N-O 3.45Å; I12-G84 VanDerWaalsContact N-O 3.08Å; I12-V85 HydrophobicContact CG2-CB 4.39Å; I12-V85 HydrophobicContact CG2-CG1 4.08Å; I12-V85 HydrophobicContact CG2-CG2 4.07Å; I12-V85 WeakPolarHBondContact O-CA 3.47Å; I12-V86 PolarHBondContact O-N 3.08Å |
| 13 | I | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.1 | 177.4 | -52.9 | 172.2 | 0 | 0 | 0 | 107.3 | K21 M25 W63 T65 V86 V88 F165 | I13-K21 HydrophobicContact CG2-CB 3.78Å; I13-K21 HydrophobicContact CG2-CD 4.2Å; I13-K21 HydrophobicContact CG2-CG 3.93Å; I13-M25 HydrophobicContact CD1-CB 3.65Å; I13-M25 HydrophobicContact CD1-CG 3.9Å; I13-M25 HydrophobicContact CD1-SD 4.33Å; I13-W63 PolarHBondContact N-O 3.07Å; I13-T65 PolarHBondContact O-OG1 3Å; I13-T65 VanDerWaalsContact O-OG1 3.07Å; I13-V86 WeakPolarHBondContact CA-O 3.42Å; I13-V86 HydrophobicContact CG1-CB 4.23Å; I13-V86 HydrophobicContact CG1-CG2 4.47Å; I13-V86 HydrophobicContact CG2-CB 4.31Å; I13-V86 HydrophobicContact CG2-CG1 4.48Å; I13-V88 HydrophobicContact CG2-CG2 3.68Å; I13-F165 HydrophobicContact CD1-CE1 4.22Å; I13-F165 HydrophobicContact CD1-CZ 4.13Å |
| 14 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 169.3 | -173.6 | 65.5 | 178.1 | 0 | 0 | 0 | 111.6 | I12 K21 Y79 V85 V86 V87 V88 W103 A107 | I12-I14 HydrophobicContact CD1-CG2 4.22Å; I12-I14 HydrophobicContact CG1-CG2 3.93Å; I12-I14 HydrophobicContact CG2-CG2 4.3Å; I14-K21 VanDerWaalsContact C-CD 3.43Å; I14-Y79 HydrophobicContact CD1-CE1 4.26Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; I14-V85 HydrophobicContact CD1-CG1 3.67Å; I14-V85 HydrophobicContact CG1-CG1 3.98Å; I14-V86 PolarHBondContact N-O 2.64Å; I14-V87 HydrophobicContact CD1-CG2 4.1Å; I14-V87 HydrophobicContact CG1-CB 4.39Å; I14-V87 HydrophobicContact CG1-CG1 4.32Å; I14-V87 HydrophobicContact CG1-CG2 4.07Å; I14-V88 PolarHBondContact O-N 2.84Å; I14-W103 HydrophobicContact CB-CE3 4.01Å; I14-W103 HydrophobicContact CB-CZ3 4.47Å; I14-W103 HydrophobicContact CD1-CB 4.08Å; I14-W103 HydrophobicContact CD1-CE3 4.35Å; I14-W103 WeakPolarHBondContact CD1-O 3.41Å; I14-W103 HydrophobicContact CG1-CB 4.41Å; I14-A107 HydrophobicContact CD1-CB 3.68Å |
| 15 | G | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | 133.1 | 170.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K21 G67 V88 W103 | G15-K21 PolarHBondContact O-NZ 3.05Å; G15-G67 WeakPolarHBondContact O-CA 3.36Å; G15-V88 WeakPolarHBondContact CA-O 3.48Å; G15-W103 VanDerWaalsContact C-CE2 3.43Å; G15-W103 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 16 | D | 93.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 12% | 0.123 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -58.4 | 163.4 | -176.8 | -77.3 | 4.8 | 0 | 0 | 0 | 113.3 | V19 K21 T96 H99 W103 | D16-V19 HydrophobicContact CB-CG1 3.81Å; D16-V19 VanDerWaalsContact O-CG2 3.27Å; D16-V19 WeakPolarHBondContact O-CG2 3.27Å; D16-K21 PolarHBondContact O-NZ 3.32Å; D16-T96 HydrophobicContact CB-CG2 3.9Å; D16-T96 WeakPolarHBondContact OD2-CA 3.31Å; D16-H99 IonicContact OD1-ND1 3.67Å; D16-H99 IonicContact OD2-CE1 2.95Å; D16-H99 IonicContact OD2-CG 3.66Å; D16-H99 IonicContact OD2-ND1 2.69Å; D16-H99 PolarHBondContact OD2-ND1 2.97Å; D16-W103 PolarHBondContact OD1-NE1 3.13Å |
| 17 | S | 90.9 | Very high | 94.3 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 27% | 0.266 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 148.1 | 170.9 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | V19 G67 | S17-V19 PolarHBondContact O-N 3.04Å; S17-G67 PolarHBondContact N-O 2.76Å |
| 18 | M | 91.1 | Very high | 94.3 | Very high | 141 Ų | 141 | 17.1 Ų | 17.1 | 70% | 0.695 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 4 | 173.8 | -60.7 | 169.8 | 163.2 | 0 | 0 | 117.4 | G20 P39 K124 | M18-G20 PolarHBondContact O-N 3.22Å; M18-P39 HydrophobicContact CE-CG 4.34Å; M18-K124 WeakPolarHBondContact O-CE 3.38Å; M18-K124 PolarHBondContact O-NZ 3.47Å |
| 19 | V | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -67.6 | -16.9 | 173.2 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | D16 S17 K21 V88 D90 T96 H123 | D16-V19 HydrophobicContact CB-CG1 3.81Å; D16-V19 VanDerWaalsContact O-CG2 3.27Å; D16-V19 WeakPolarHBondContact O-CG2 3.27Å; S17-V19 PolarHBondContact O-N 3.04Å; V19-K21 HydrophobicContact CG2-CD 4.38Å; V19-K21 HydrophobicContact CG2-CG 3.66Å; V19-V88 HydrophobicContact CB-CG1 4.33Å; V19-V88 HydrophobicContact CG2-CB 3.95Å; V19-V88 HydrophobicContact CG2-CG1 3.83Å; V19-D90 HydrophobicContact CB-CB 4.31Å; V19-D90 HydrophobicContact CG1-CB 4.24Å; V19-T96 HydrophobicContact CG1-CG2 3.68Å; V19-H123 PolarHBondContact O-CD2 2.79Å; V19-H123 VanDerWaalsContact O-CD2 3.31Å |
| 20 | G | 94.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 12% | 0.124 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 102.8 | 25.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | M18 S22 S23 L24 | M18-G20 PolarHBondContact O-N 3.22Å; G20-S22 PolarHBondContact O-N 3.48Å; G20-S23 VanDerWaalsContact CA-OG 3.31Å; G20-S23 WeakPolarHBondContact CA-OG 3.26Å; G20-S23 PolarHBondContact O-N 3.39Å; G20-S23 PolarHBondContact O-OG 2.68Å; G20-L24 VanDerWaalsContact O-CB 3.25Å; G20-L24 WeakPolarHBondContact O-CB 3.27Å; G20-L24 PolarHBondContact O-N 3.28Å |
| 21 | K | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.1 | -50.9 | 176.3 | -58.9 | -173.1 | -63.2 | -77.2 | 0 | 112.9 | I13 I14 G15 D16 V19 L24 M25 D64 T65 V88 | I13-K21 HydrophobicContact CG2-CB 3.78Å; I13-K21 HydrophobicContact CG2-CD 4.2Å; I13-K21 HydrophobicContact CG2-CG 3.93Å; I14-K21 VanDerWaalsContact C-CD 3.43Å; G15-K21 PolarHBondContact O-NZ 3.05Å; D16-K21 PolarHBondContact O-NZ 3.32Å; V19-K21 HydrophobicContact CG2-CD 4.38Å; V19-K21 HydrophobicContact CG2-CG 3.66Å; K21-L24 WeakPolarHBondContact O-CB 3.17Å; K21-L24 PolarHBondContact O-N 3.4Å; K21-M25 WeakPolarHBondContact O-CB 3.22Å; K21-M25 PolarHBondContact O-N 2.7Å; K21-D64 WeakPolarHBondContact CB-OD1 3.44Å; K21-T65 WeakPolarHBondContact CE-O 3.47Å; K21-V88 HydrophobicContact CG-CB 4.16Å; K21-V88 HydrophobicContact CG-CG2 4.25Å |
| 22 | S | 92.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 8% | 0.077 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | -179.6 | -46.3 | 0 | 0 | 0 | 0 | 112.7 | G20 K26 T40 D64 | G20-S22 PolarHBondContact O-N 3.48Å; S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 VanDerWaalsContact O-CG 3.31Å; S22-K26 WeakPolarHBondContact O-CG 3.43Å; S22-K26 PolarHBondContact O-N 3.34Å; S22-T40 PolarHBondContact OG-OG1 2.99Å; S22-D64 WeakPolarHBondContact CA-OD2 3.46Å; S22-D64 WeakPolarHBondContact CB-OD2 3.46Å; S22-D64 PolarHBondContact OG-OD2 3.29Å |
| 23 | S | 93.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 13% | 0.133 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 175.4 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | G20 S27 S155 | G20-S23 VanDerWaalsContact CA-OG 3.31Å; G20-S23 WeakPolarHBondContact CA-OG 3.26Å; G20-S23 PolarHBondContact O-N 3.39Å; G20-S23 PolarHBondContact O-OG 2.68Å; S23-S27 WeakPolarHBondContact O-CB 3.36Å; S23-S27 PolarHBondContact O-N 3.31Å; S23-S27 PolarHBondContact O-OG 3.11Å; S23-S155 VanDerWaalsContact C-OG 3.26Å; S23-S155 PolarHBondContact O-OG 3.26Å |
| 24 | L | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -50.7 | 174.9 | -178.7 | 79.9 | 0 | 0 | 0 | 110.1 | G20 K21 S27 F28 V86 V88 V121 T153 S155 I161 F165 | G20-L24 VanDerWaalsContact O-CB 3.25Å; G20-L24 WeakPolarHBondContact O-CB 3.27Å; G20-L24 PolarHBondContact O-N 3.28Å; K21-L24 WeakPolarHBondContact O-CB 3.17Å; K21-L24 PolarHBondContact O-N 3.4Å; L24-S27 PolarHBondContact O-N 3.24Å; L24-F28 PolarHBondContact O-N 3.14Å; L24-V86 HydrophobicContact CD2-CG1 4.17Å; L24-V88 HydrophobicContact CD2-CG2 3.89Å; L24-V121 HydrophobicContact CD2-CG1 4.47Å; L24-T153 HydrophobicContact CD1-CG2 4.2Å; L24-S155 WeakPolarHBondContact CA-OG 3.39Å; L24-S155 PolarHBondContact N-OG 3.14Å; L24-I161 HydrophobicContact CD1-CD1 3.42Å; L24-I161 VanDerWaalsContact CD1-CD1 3.42Å; L24-F165 HydrophobicContact CD2-CZ 4.43Å; L24-F165 HydrophobicContact CG-CE2 4.38Å; L24-F165 HydrophobicContact CG-CZ 4.43Å |
| 25 | M | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 179.2 | -174.7 | -174.4 | 54.5 | 0 | 0 | 112.1 | I13 K21 F28 V29 D44 F46 L62 D64 | I13-M25 HydrophobicContact CD1-CB 3.65Å; I13-M25 HydrophobicContact CD1-CG 3.9Å; I13-M25 HydrophobicContact CD1-SD 4.33Å; K21-M25 WeakPolarHBondContact O-CB 3.22Å; K21-M25 PolarHBondContact O-N 2.7Å; M25-F28 WeakPolarHBondContact O-CB 3.26Å; M25-F28 PolarHBondContact O-N 3.46Å; M25-V29 HydrophobicContact CG-CG2 4.36Å; M25-V29 VanDerWaalsContact O-CG2 3.31Å; M25-V29 WeakPolarHBondContact O-CG2 3.44Å; M25-V29 PolarHBondContact O-N 2.95Å; M25-D44 HydrophobicContact CE-CB 4.5Å; M25-F46 HydrophobicContact CE-CD2 3.1Å; M25-F46 HydrophobicContact CE-CE2 3.24Å; M25-F46 HydrophobicContact CE-CG 4.15Å; M25-F46 HydrophobicContact CE-CZ 4.37Å; M25-F46 HydrophobicContact CG-CD2 4.44Å; M25-F46 HydrophobicContact SD-CB 4.11Å; M25-F46 HydrophobicContact SD-CD2 3.45Å; M25-F46 WeakPolarHBondContact SD-CD2 3.33Å; M25-F46 HydrophobicContact SD-CE2 4.23Å; M25-F46 HydrophobicContact SD-CG 4.12Å; M25-L62 HydrophobicContact CG-CB 4.27Å; M25-L62 HydrophobicContact CG-CD1 3.89Å; M25-L62 HydrophobicContact SD-CB 3.97Å; M25-D64 HydrophobicContact CE-CB 3.21Å; M25-D64 HydrophobicContact SD-CB 3.48Å; M25-D64 WeakPolarHBondContact SD-CB 3.46Å |
| 26 | K | 91.8 | Very high | 88 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | -179.8 | -73.2 | -176.1 | -174.5 | 177.7 | 0 | 111.6 | S22 F28 V29 E30 T34 V36 F46 | S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 VanDerWaalsContact O-CG 3.31Å; S22-K26 WeakPolarHBondContact O-CG 3.43Å; S22-K26 PolarHBondContact O-N 3.34Å; K26-F28 VanDerWaalsContact C-N 3.26Å; K26-F28 PolarHBondContact O-N 3.07Å; K26-V29 PolarHBondContact O-N 2.84Å; K26-V29 VanDerWaalsContact O-N 3.09Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 PolarHBondContact O-N 2.79Å; K26-T34 HydrophobicContact CD-CG2 4.17Å; K26-V36 HydrophobicContact CD-CG2 3.71Å; K26-F46 HydrophobicContact CG-CZ 4.5Å |
| 27 | S | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | S23 L24 G31 N32 S155 | S23-S27 WeakPolarHBondContact O-CB 3.36Å; S23-S27 PolarHBondContact O-N 3.31Å; S23-S27 PolarHBondContact O-OG 3.11Å; L24-S27 PolarHBondContact O-N 3.24Å; S27-G31 VanDerWaalsContact O-CA 3.25Å; S27-G31 WeakPolarHBondContact O-CA 3.44Å; S27-G31 PolarHBondContact O-N 3.22Å; S27-N32 WeakPolarHBondContact CA-O 2.92Å; S27-S155 WeakPolarHBondContact OG-CB 3.32Å |
| 28 | F | 94.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 171.2 | 173.6 | -110.3 | 0 | 0 | 0 | 112.1 | L24 M25 K26 R48 V50 L60 L62 I161 E162 F165 | L24-F28 PolarHBondContact O-N 3.14Å; M25-F28 WeakPolarHBondContact O-CB 3.26Å; M25-F28 PolarHBondContact O-N 3.46Å; K26-F28 VanDerWaalsContact C-N 3.26Å; K26-F28 PolarHBondContact O-N 3.07Å; F28-R48 HydrophobicContact CE1-CB 3.82Å; F28-R48 HydrophobicContact CE1-CG 4.22Å; F28-R48 HydrophobicContact CZ-CB 4.26Å; F28-R48 HydrophobicContact CZ-CG 4.22Å; F28-R48 VanDerWaalsContact O-CD 3.31Å; F28-R48 WeakPolarHBondContact O-CD 3.33Å; F28-R48 PolarHBondContact O-NH1 2.96Å; F28-V50 HydrophobicContact CE2-CG1 3.95Å; F28-V50 HydrophobicContact CZ-CG1 3.51Å; F28-L60 HydrophobicContact CE1-CD1 4.27Å; F28-L60 HydrophobicContact CZ-CD1 4.09Å; F28-L62 HydrophobicContact CD1-CD1 3.61Å; F28-L62 HydrophobicContact CE1-CD1 3.8Å; F28-I161 HydrophobicContact CB-CG2 3.66Å; F28-E162 VanDerWaalsContact CE2-OE2 3.3Å; F28-E162 WeakPolarHBondContact CE2-OE2 3.05Å; F28-F165 HydrophobicContact CB-CD2 3.67Å; F28-F165 HydrophobicContact CB-CE2 3.43Å; F28-F165 VanDerWaalsContact CB-CE2 3.43Å; F28-F165 HydrophobicContact CB-CZ 4.2Å; F28-F165 HydrophobicContact CD1-CB 4.47Å; F28-F165 HydrophobicContact CD1-CD1 4.18Å; F28-F165 AromaticContact CD1-CD2 3.75Å; F28-F165 HydrophobicContact CD1-CD2 3.75Å; F28-F165 HydrophobicContact CD1-CE1 4.36Å; F28-F165 AromaticContact CD1-CE2 3.97Å; F28-F165 HydrophobicContact CD1-CE2 3.97Å; F28-F165 AromaticContact CD1-CG 3.87Å; F28-F165 HydrophobicContact CD1-CG 3.87Å; F28-F165 HydrophobicContact CD1-CZ 4.27Å; F28-F165 HydrophobicContact CD2-CB 3.94Å; F28-F165 AromaticContact CD2-CD2 3.31Å; F28-F165 HydrophobicContact CD2-CD2 3.31Å; F28-F165 HydrophobicContact CD2-CE2 4.04Å; F28-F165 AromaticContact CD2-CG 3.81Å; F28-F165 HydrophobicContact CD2-CG 3.81Å; F28-F165 HydrophobicContact CE1-CB 4.04Å; F28-F165 HydrophobicContact CE1-CD1 4.14Å; F28-F165 HydrophobicContact CE1-CD2 4.17Å; F28-F165 AromaticContact CE1-CG 3.85Å; F28-F165 HydrophobicContact CE1-CG 3.85Å; F28-F165 HydrophobicContact CE2-CB 3.46Å; F28-F165 VanDerWaalsContact CE2-CB 3.46Å; F28-F165 AromaticContact CE2-CD2 3.8Å; F28-F165 HydrophobicContact CE2-CD2 3.8Å; F28-F165 AromaticContact CE2-CG 3.81Å; F28-F165 HydrophobicContact CE2-CG 3.81Å; F28-F165 HydrophobicContact CG-CB 4.41Å; F28-F165 AromaticContact CG-CD2 3.27Å; F28-F165 HydrophobicContact CG-CD2 3.27Å; F28-F165 AromaticContact CG-CE2 3.54Å; F28-F165 HydrophobicContact CG-CE2 3.54Å; F28-F165 AromaticContact CG-CG 3.83Å; F28-F165 HydrophobicContact CG-CG 3.83Å; F28-F165 HydrophobicContact CG-CZ 4.27Å; F28-F165 HydrophobicContact CZ-CB 3.5Å; F28-F165 HydrophobicContact CZ-CD1 4.46Å; F28-F165 HydrophobicContact CZ-CD2 4.19Å; F28-F165 AromaticContact CZ-CG 3.81Å; F28-F165 HydrophobicContact CZ-CG 3.81Å |
| 29 | V | 91.2 | Very high | 85.4 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | -175.9 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | M25 K26 F46 L62 | M25-V29 HydrophobicContact CG-CG2 4.36Å; M25-V29 VanDerWaalsContact O-CG2 3.31Å; M25-V29 WeakPolarHBondContact O-CG2 3.44Å; M25-V29 PolarHBondContact O-N 2.95Å; K26-V29 PolarHBondContact O-N 2.84Å; K26-V29 VanDerWaalsContact O-N 3.09Å; V29-F46 HydrophobicContact CB-CD1 4.5Å; V29-F46 HydrophobicContact CG1-CD1 3.99Å; V29-F46 HydrophobicContact CG2-CB 3.73Å; V29-F46 HydrophobicContact CG2-CD1 4.32Å; V29-F46 HydrophobicContact CG2-CG 4.2Å; V29-L62 HydrophobicContact CG2-CD1 4.06Å |
| 30 | E | 87.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 45.5 Ų | 45.5 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -97.5 | -12.4 | -172.3 | -61.1 | 174.8 | -170.6 | 0 | 0 | 113.1 | K26 N32 T34 | K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 PolarHBondContact O-N 2.79Å; E30-N32 PolarHBondContact O-N 3.22Å; E30-N32 PolarHBondContact O-ND2 3.05Å; E30-T34 WeakPolarHBondContact OE2-CB 3.33Å; E30-T34 PolarHBondContact OE2-OG1 2.75Å |
| 31 | G | 81.7 | Confident | 83.2 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 73.2 | 3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | S27 | S27-G31 VanDerWaalsContact O-CA 3.25Å; S27-G31 WeakPolarHBondContact O-CA 3.44Å; S27-G31 PolarHBondContact O-N 3.22Å |
| 32 | N | 77.2 | Confident | 82.2 | Confident | 117 Ų | 117 | 51.9 Ų | 51.9 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -139 | 159.3 | -179.8 | -62.4 | -69.8 | 0 | 0 | 0 | 110.3 | S27 E30 T34 | S27-N32 WeakPolarHBondContact CA-O 2.92Å; E30-N32 PolarHBondContact O-N 3.22Å; E30-N32 PolarHBondContact O-ND2 3.05Å; N32-T34 PolarHBondContact O-N 2.83Å |
| 33 | F | 76.6 | Confident | 81.5 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | trans | -63.2 | 125.1 | 175.7 | 177.4 | -116.4 | 0 | 0 | 0 | 111.5 | P35 S155 L156 | F33-P35 HydrophobicContact CE1-CB 3.98Å; F33-P35 HydrophobicContact CE1-CG 4.39Å; F33-P35 HydrophobicContact CZ-CB 4.1Å; F33-S155 WeakPolarHBondContact CB-O 3.4Å; F33-S155 VanDerWaalsContact CD2-O 3.25Å; F33-S155 WeakPolarHBondContact CD2-O 3.43Å; F33-L156 HydrophobicContact CD1-CD1 4.13Å; F33-L156 HydrophobicContact CE1-CD1 4.15Å | ||
| 34 | T | 73 | Confident | 81.1 | Confident | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | trans | -121.5 | 108.8 | 176 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | K26 E30 N32 V36 | K26-T34 HydrophobicContact CD-CG2 4.17Å; E30-T34 WeakPolarHBondContact OE2-CB 3.33Å; E30-T34 PolarHBondContact OE2-OG1 2.75Å; N32-T34 PolarHBondContact O-N 2.83Å; T34-V36 PolarHBondContact O-N 3.44Å | ||
| 35 | P | 70.6 | Confident | 80.7 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 64% | 0.643 | 33% | 0.334 | S | S | * | . | trans | -64.1 | 130.7 | -179.3 | 24.2 | -30.9 | 0 | 0 | 0 | 110.3 | F33 | F33-P35 HydrophobicContact CE1-CB 3.98Å; F33-P35 HydrophobicContact CE1-CG 4.39Å; F33-P35 HydrophobicContact CZ-CB 4.1Å | ||
| 36 | V | 74.6 | Confident | 80.5 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | trans | -122.8 | 111.5 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 106.9 | K26 T34 | K26-V36 HydrophobicContact CD-CG2 3.71Å; T34-V36 PolarHBondContact O-N 3.44Å | ||
| 37 | S | 68.8 | Low | 80.5 | Confident | 104 Ų | 104 | 62 Ų | 62 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | trans | -94.5 | -31.3 | -178.6 | 53 | 0 | 0 | 0 | 0 | 113 | ||||
| 38 | D | 76.9 | Confident | 80.5 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 65% | 0.652 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -92.8 | 137.4 | -169.1 | -60.5 | -9.5 | 0 | 0 | 0 | 110.1 | T40 | D38-T40 PolarHBondContact O-N 3.2Š|
| 39 | P | 76.6 | Confident | 80.4 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 132.9 | 174.7 | -22.5 | 32.5 | 0 | 0 | 0 | 111.3 | M18 I41 | M18-P39 HydrophobicContact CE-CG 4.34Å; P39-I41 PolarHBondContact O-N 2.75Å |
| 40 | T | 74 | Confident | 80.4 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 125.7 | 173.9 | -46.9 | 0 | 0 | 0 | 0 | 110.3 | S22 D38 A66 | S22-T40 PolarHBondContact OG-OG1 2.99Å; D38-T40 PolarHBondContact O-N 3.2Å; T40-A66 VanDerWaalsContact O-CB 3.25Å; T40-A66 WeakPolarHBondContact O-CB 3.41Å |
| 41 | I | 68.6 | Low | 80.6 | Confident | 141 Ų | 141 | 68.3 Ų | 68.3 | 72% | 0.723 | 37% | 0.374 | S | S | * | . | trans | -103 | 115.2 | 174 | -58.6 | 177.2 | 0 | 0 | 0 | 107.3 | P39 F71 | P39-I41 PolarHBondContact O-N 2.75Å; I41-F71 HydrophobicContact CG2-CZ 4.33Å | ||
| 42 | G | 72.5 | Confident | 81 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 16% | 0.155 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 82.7 | -133.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A66 | G42-A66 WeakPolarHBondContact O-CB 3.2Å; G42-A66 PolarHBondContact O-N 2.94Å |
| 43 | V | 78.9 | Confident | 81.4 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 16% | 0.164 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 126.6 | -175.5 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | W63 D64 T65 I74 Y78 | V43-W63 HydrophobicContact CG1-CB 4.2Å; V43-W63 HydrophobicContact CG1-CE3 3.73Å; V43-D64 CarbonylContact C-O 3.54Å; V43-D64 VanDerWaalsContact CA-O 3.23Å; V43-D64 WeakPolarHBondContact CA-O 3.2Å; V43-D64 WeakPolarHBondContact CG1-O 3.36Å; V43-T65 HydrophobicContact CG1-CG2 4.37Å; V43-T65 HydrophobicContact CG2-CG2 4.3Å; V43-I74 HydrophobicContact CG2-CG2 4.16Å; V43-Y78 HydrophobicContact CB-CD2 4.36Å; V43-Y78 HydrophobicContact CB-CE1 4.26Å; V43-Y78 HydrophobicContact CB-CE2 3.89Å; V43-Y78 HydrophobicContact CG1-CD1 4.09Å; V43-Y78 HydrophobicContact CG1-CD2 4.35Å; V43-Y78 HydrophobicContact CG1-CE1 3.99Å; V43-Y78 HydrophobicContact CG1-CE2 4.25Å; V43-Y78 HydrophobicContact CG1-CG 4.27Å; V43-Y78 HydrophobicContact CG2-CD2 3.65Å; V43-Y78 HydrophobicContact CG2-CE2 3.38Å; V43-Y78 HydrophobicContact CG2-CG 4.36Å |
| 44 | D | 84.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 71 Ų | 71 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 149.5 | 173.4 | -81.9 | -20.2 | 0 | 0 | 0 | 110.7 | M25 F46 W63 D64 | M25-D44 HydrophobicContact CE-CB 4.5Å; D44-F46 HydrophobicContact CB-CE2 4.03Å; D44-W63 WeakPolarHBondContact O-CA 3.46Å; D44-D64 HydrophobicContact CB-CB 4.33Å; D44-D64 PolarHBondContact N-O 3.29Å; D44-D64 PolarHBondContact O-N 2.92Å |
| 45 | F | 87.2 | Confident | 82.1 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 40% | 0.395 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.7 | -178.7 | 172.4 | -96.1 | 0 | 0 | 0 | 111.3 | Q61 L62 W63 | F45-Q61 HydrophobicContact CE2-CB 3.81Å; F45-Q61 HydrophobicContact CE2-CG 3.9Å; F45-Q61 HydrophobicContact CZ-CB 4.34Å; F45-Q61 HydrophobicContact CZ-CG 3.95Å; F45-L62 WeakPolarHBondContact CA-O 3.45Å; F45-W63 HydrophobicContact CB-CE3 4.1Å; F45-W63 HydrophobicContact CB-CZ3 3.99Å; F45-W63 AromaticContact CD2-CD2 3.96Å; F45-W63 HydrophobicContact CD2-CD2 3.96Å; F45-W63 AromaticContact CD2-CE2 3.85Å; F45-W63 AromaticContact CD2-CE3 4Å; F45-W63 HydrophobicContact CD2-CE3 4Å; F45-W63 AromaticContact CD2-CH2 3.94Å; F45-W63 HydrophobicContact CD2-CH2 3.94Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 AromaticContact CD2-CZ3 3.99Å; F45-W63 HydrophobicContact CD2-CZ3 3.99Å; F45-W63 HydrophobicContact CE2-CZ2 4.17Å; F45-W63 HydrophobicContact CG-CZ3 4.33Å |
| 46 | F | 90.7 | Very high | 83.1 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.8 | 172.4 | -68.6 | -95 | 0 | 0 | 0 | 111 | M25 K26 V29 D44 L62 | M25-F46 HydrophobicContact CE-CD2 3.1Å; M25-F46 HydrophobicContact CE-CE2 3.24Å; M25-F46 HydrophobicContact CE-CG 4.15Å; M25-F46 HydrophobicContact CE-CZ 4.37Å; M25-F46 HydrophobicContact CG-CD2 4.44Å; M25-F46 HydrophobicContact SD-CB 4.11Å; M25-F46 HydrophobicContact SD-CD2 3.45Å; M25-F46 WeakPolarHBondContact SD-CD2 3.33Å; M25-F46 HydrophobicContact SD-CE2 4.23Å; M25-F46 HydrophobicContact SD-CG 4.12Å; K26-F46 HydrophobicContact CG-CZ 4.5Å; V29-F46 HydrophobicContact CB-CD1 4.5Å; V29-F46 HydrophobicContact CG1-CD1 3.99Å; V29-F46 HydrophobicContact CG2-CB 3.73Å; V29-F46 HydrophobicContact CG2-CD1 4.32Å; V29-F46 HydrophobicContact CG2-CG 4.2Å; D44-F46 HydrophobicContact CB-CE2 4.03Å; F46-L62 PolarHBondContact N-O 2.9Å; F46-L62 PolarHBondContact O-N 3.11Å |
| 47 | S | 91.6 | Very high | 83.9 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.5 | 170.5 | 73.4 | 0 | 0 | 0 | 0 | 112.2 | K59 L60 | S47-K59 VanDerWaalsContact OG-CE 3.29Å; S47-K59 WeakPolarHBondContact OG-CE 3.49Å; S47-L60 WeakPolarHBondContact CA-O 3.13Å; S47-L60 VanDerWaalsContact CB-O 3.3Å; S47-L60 WeakPolarHBondContact CB-O 3.33Å |
| 48 | R | 92.3 | Very high | 85.2 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 25% | 0.249 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.9 | 174.5 | -176.9 | 170.6 | 178.1 | -148.6 | -3.8 | 109.7 | F28 L60 E162 | F28-R48 HydrophobicContact CE1-CB 3.82Å; F28-R48 HydrophobicContact CE1-CG 4.22Å; F28-R48 HydrophobicContact CZ-CB 4.26Å; F28-R48 HydrophobicContact CZ-CG 4.22Å; F28-R48 VanDerWaalsContact O-CD 3.31Å; F28-R48 WeakPolarHBondContact O-CD 3.33Å; F28-R48 PolarHBondContact O-NH1 2.96Å; R48-L60 PolarHBondContact N-O 3.15Å; R48-L60 VanDerWaalsContact N-O 3.15Å; R48-L60 PolarHBondContact O-N 2.86Å; R48-E162 IonicContact CZ-OE1 2.79Å; R48-E162 IonicContact CZ-OE2 3.75Å; R48-E162 IonicContact NH1-OE1 3.16Å; R48-E162 PolarHBondContact NH1-OE1 3.12Å; R48-E162 IonicContact NH1-OE2 3.91Å; R48-E162 PolarHBondContact NH1-OE2 3.46Å; R48-E162 IonicContact NH2-OE1 2.83Å; R48-E162 PolarHBondContact NH2-OE1 3.3Å; R48-E162 IonicContact NH2-OE2 3.84Å; R48-E162 PolarHBondContact NH2-OE2 2.77Å |
| 49 | T | 92.4 | Very high | 86 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.2 | 171.4 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | F5 F57 V58 | F5-T49 HydrophobicContact CB-CG2 4.3Å; T49-F57 HydrophobicContact CG2-CB 3.97Å; T49-F57 HydrophobicContact CG2-CD1 4.31Å; T49-V58 CarbonylContact C-O 3.54Å; T49-V58 VanDerWaalsContact CA-O 3.28Å; T49-V58 WeakPolarHBondContact CA-O 3.29Å |
| 50 | V | 92.7 | Very high | 87 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 152.9 | 174 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | F28 I52 F57 V58 L60 A169 | F28-V50 HydrophobicContact CE2-CG1 3.95Å; F28-V50 HydrophobicContact CZ-CG1 3.51Å; V50-I52 HydrophobicContact CG2-CG2 4.09Å; V50-F57 WeakPolarHBondContact O-CA 3.29Å; V50-V58 HydrophobicContact CG2-CB 4.23Å; V50-V58 PolarHBondContact N-O 3.41Å; V50-V58 PolarHBondContact O-N 2.77Å; V50-L60 HydrophobicContact CG1-CD1 4.48Å; V50-L60 HydrophobicContact CG2-CD1 4.12Å; V50-L60 HydrophobicContact CG2-CG 4.22Å; V50-A169 HydrophobicContact CG2-CB 4.02Å |
| 51 | R | 90.9 | Very high | 88 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.2 | 172.3 | -174.4 | 179.1 | 83.5 | 148 | 1 | 108.6 | Q53 E54 F57 | R51-Q53 WeakPolarHBondContact CG-O 3.34Å; R51-E54 PolarHBondContact NH1-O 2.96Å; R51-F57 HydrophobicContact CB-CD1 4.09Å; R51-F57 HydrophobicContact CB-CE1 3.94Å; R51-F57 HydrophobicContact CG-CD1 4.36Å; R51-F57 HydrophobicContact CG-CE1 4.03Å; R51-F57 HydrophobicContact CG-CZ 4.24Å |
| 52 | I | 90 | Very high | 89.2 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -21.5 | -177 | 58.5 | 167.1 | 0 | 0 | 0 | 113.7 | V50 V56 V58 A169 E170 Y173 | V50-I52 HydrophobicContact CG2-CG2 4.09Å; I52-V56 HydrophobicContact CD1-CG1 3.87Å; I52-V56 HydrophobicContact CG1-CB 4Å; I52-V56 HydrophobicContact CG1-CG1 3.79Å; I52-V56 PolarHBondContact N-O 3.12Å; I52-V58 HydrophobicContact CD1-CG2 3.56Å; I52-V58 HydrophobicContact CG1-CG2 3.94Å; I52-V58 HydrophobicContact CG2-CG2 4.47Å; I52-A169 HydrophobicContact CG2-CB 3.53Å; I52-E170 HydrophobicContact CB-CG 4.02Å; I52-E170 HydrophobicContact CG2-CG 4.25Å; I52-Y173 HydrophobicContact CD1-CD1 3.56Å; I52-Y173 HydrophobicContact CD1-CD2 4.08Å; I52-Y173 HydrophobicContact CD1-CE1 4.33Å; I52-Y173 HydrophobicContact CD1-CG 3.39Å |
| 53 | Q | 85.7 | Confident | 90.2 | Very high | 107 Ų | 107 | 57.7 Ų | 57.7 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 171.1 | 172.2 | -63.6 | -175.5 | -26.3 | 0 | 0 | 108 | R51 E55 V56 | R51-Q53 WeakPolarHBondContact CG-O 3.34Å; Q53-E55 PolarHBondContact O-N 2.99Å; Q53-V56 HydrophobicContact CB-CB 4.06Å; Q53-V56 HydrophobicContact CB-CG2 4Å; Q53-V56 PolarHBondContact O-N 3.34Å |
| 54 | E | 80.8 | Confident | 90.6 | Very high | 165 Ų | 165 | 56.4 Ų | 56.4 | 77% | 0.771 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -41.2 | -173 | -78.5 | -173.1 | 155.8 | 0 | 0 | 114 | R51 | R51-E54 PolarHBondContact NH1-O 2.96Š|
| 55 | E | 84.2 | Confident | 90.6 | Very high | 162 Ų | 162 | 53.2 Ų | 53.2 | 76% | 0.757 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 13.5 | -176.7 | -58.1 | -168.4 | 150.3 | 0 | 0 | 114 | Q53 | Q53-E55 PolarHBondContact O-N 2.99Š|
| 56 | V | 90.5 | Very high | 90.2 | Very high | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.109 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 111.2 | -179.2 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | Y7 I52 Q53 V58 Y173 | Y7-V56 HydrophobicContact CD2-CG1 4.22Å; Y7-V56 HydrophobicContact CE2-CG1 4.34Å; I52-V56 HydrophobicContact CD1-CG1 3.87Å; I52-V56 HydrophobicContact CG1-CB 4Å; I52-V56 HydrophobicContact CG1-CG1 3.79Å; I52-V56 PolarHBondContact N-O 3.12Å; Q53-V56 HydrophobicContact CB-CB 4.06Å; Q53-V56 HydrophobicContact CB-CG2 4Å; Q53-V56 PolarHBondContact O-N 3.34Å; V56-V58 HydrophobicContact CG1-CG2 4.36Å; V56-Y173 HydrophobicContact CG1-CD2 4.3Å; V56-Y173 HydrophobicContact CG1-CE1 4.35Å; V56-Y173 HydrophobicContact CG1-CE2 3.89Å; V56-Y173 HydrophobicContact CG2-CE1 4.47Å |
| 57 | F | 92.8 | Very high | 89.2 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 31% | 0.307 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.3 | 178.5 | -65.8 | -91.5 | 0 | 0 | 0 | 110.6 | Y4 D6 Y7 T49 V50 R51 | Y4-F57 HydrophobicContact CD1-CB 4.33Å; Y4-F57 AromaticContact CD1-CD2 3.97Å; Y4-F57 HydrophobicContact CD1-CD2 3.97Å; Y4-F57 HydrophobicContact CD1-CG 4.29Å; Y4-F57 AromaticContact CE1-CD2 3.92Å; Y4-F57 HydrophobicContact CE1-CD2 3.92Å; D6-F57 PolarHBondContact N-O 3.03Å; D6-F57 PolarHBondContact OD2-N 3.38Å; Y7-F57 PolarHBondContact N-O 2.94Å; T49-F57 HydrophobicContact CG2-CB 3.97Å; T49-F57 HydrophobicContact CG2-CD1 4.31Å; V50-F57 WeakPolarHBondContact O-CA 3.29Å; R51-F57 HydrophobicContact CB-CD1 4.09Å; R51-F57 HydrophobicContact CB-CE1 3.94Å; R51-F57 HydrophobicContact CG-CD1 4.36Å; R51-F57 HydrophobicContact CG-CE1 4.03Å; R51-F57 HydrophobicContact CG-CZ 4.24Å |
| 58 | V | 95.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.1 | -177.6 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | Y7 F9 T49 V50 I52 V56 L60 A169 | Y7-V58 CarbonylContact O-C 3.53Å; Y7-V58 WeakPolarHBondContact O-CA 3.26Å; F9-V58 HydrophobicContact CB-CG1 4.49Å; F9-V58 HydrophobicContact CD1-CG1 4.5Å; F9-V58 HydrophobicContact CD2-CG1 3.24Å; F9-V58 HydrophobicContact CE2-CB 4.26Å; F9-V58 HydrophobicContact CE2-CG1 3.37Å; F9-V58 HydrophobicContact CE2-CG2 3.85Å; F9-V58 HydrophobicContact CG-CG1 3.84Å; F9-V58 HydrophobicContact CZ-CG1 4.07Å; F9-V58 HydrophobicContact CZ-CG2 4.14Å; T49-V58 CarbonylContact C-O 3.54Å; T49-V58 VanDerWaalsContact CA-O 3.28Å; T49-V58 WeakPolarHBondContact CA-O 3.29Å; V50-V58 HydrophobicContact CG2-CB 4.23Å; V50-V58 PolarHBondContact N-O 3.41Å; V50-V58 PolarHBondContact O-N 2.77Å; I52-V58 HydrophobicContact CD1-CG2 3.56Å; I52-V58 HydrophobicContact CG1-CG2 3.94Å; I52-V58 HydrophobicContact CG2-CG2 4.47Å; V56-V58 HydrophobicContact CG1-CG2 4.36Å; V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.45Å; V58-L60 PolarHBondContact O-N 2.93Å; V58-A169 HydrophobicContact CG1-CB 4.45Å |
| 59 | K | 95 | Very high | 86.9 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.3 | 168.1 | -175.9 | 177.1 | -178.9 | -180 | 0 | 110.1 | F5 Y7 Q8 F9 S47 | F5-K59 HydrophobicContact CB-CB 3.98Å; F5-K59 HydrophobicContact CD1-CB 3.85Å; F5-K59 HydrophobicContact CD1-CD 3.88Å; F5-K59 HydrophobicContact CD1-CG 4.48Å; F5-K59 HydrophobicContact CD2-CB 4.11Å; F5-K59 HydrophobicContact CE1-CB 4.36Å; F5-K59 HydrophobicContact CE1-CD 3.72Å; F5-K59 HydrophobicContact CG-CB 3.71Å; F5-K59 HydrophobicContact CZ-CD 4.27Å; Y7-K59 PolarHBondContact O-N 2.78Å; Q8-K59 CarbonylContact C-O 3.6Å; Q8-K59 WeakPolarHBondContact CA-O 3.3Å; Q8-K59 HydrophobicContact CB-CB 4.36Å; Q8-K59 HydrophobicContact CG-CB 4.23Å; Q8-K59 HydrophobicContact CG-CD 4.42Å; Q8-K59 HydrophobicContact CG-CG 4.33Å; Q8-K59 WeakPolarHBondContact CG-O 3.34Å; F9-K59 PolarHBondContact N-O 3.45Å; S47-K59 VanDerWaalsContact OG-CE 3.29Å; S47-K59 WeakPolarHBondContact OG-CE 3.49Å |
| 60 | L | 96.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.1 | 170.6 | -60.8 | -179.9 | 0 | 0 | 0 | 109.7 | F9 V11 F28 S47 R48 V50 V58 L62 F165 A169 | F9-L60 HydrophobicContact CB-CD2 4.05Å; F9-L60 HydrophobicContact CD2-CD2 4.13Å; V11-L60 HydrophobicContact CG2-CD2 4.12Å; F28-L60 HydrophobicContact CE1-CD1 4.27Å; F28-L60 HydrophobicContact CZ-CD1 4.09Å; S47-L60 WeakPolarHBondContact CA-O 3.13Å; S47-L60 VanDerWaalsContact CB-O 3.3Å; S47-L60 WeakPolarHBondContact CB-O 3.33Å; R48-L60 PolarHBondContact N-O 3.15Å; R48-L60 VanDerWaalsContact N-O 3.15Å; R48-L60 PolarHBondContact O-N 2.86Å; V50-L60 HydrophobicContact CG1-CD1 4.48Å; V50-L60 HydrophobicContact CG2-CD1 4.12Å; V50-L60 HydrophobicContact CG2-CG 4.22Å; V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.45Å; V58-L60 PolarHBondContact O-N 2.93Å; L60-L62 HydrophobicContact CB-CD2 3.91Å; L60-L62 HydrophobicContact CB-CG 4.4Å; L60-F165 HydrophobicContact CD1-CB 3.98Å; L60-F165 HydrophobicContact CD1-CD1 4.34Å; L60-A169 HydrophobicContact CD1-CB 4.48Å; L60-A169 HydrophobicContact CD2-CB 4.1Å |
| 61 | Q | 95.1 | Very high | 84.5 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 105.9 | 167.9 | -78 | -163.3 | -33.8 | 0 | 0 | 107.9 | Q8 F9 R10 V11 F45 | Q8-Q61 VanDerWaalsContact CD-CD 3.44Å; Q8-Q61 HydrophobicContact CG-CG 3.87Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.14Å; F9-Q61 PolarHBondContact O-N 3.02Å; R10-Q61 HydrophobicContact CG-CB 4.22Å; V11-Q61 PolarHBondContact N-O 3.26Å; V11-Q61 VanDerWaalsContact O-O 3.08Å; F45-Q61 HydrophobicContact CE2-CB 3.81Å; F45-Q61 HydrophobicContact CE2-CG 3.9Å; F45-Q61 HydrophobicContact CZ-CB 4.34Å; F45-Q61 HydrophobicContact CZ-CG 3.95Å |
| 62 | L | 94.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.6 | -174 | -52.7 | 178.1 | 0 | 0 | 0 | 109.7 | V11 M25 F28 V29 F45 F46 L60 F165 | V11-L62 HydrophobicContact CB-CD2 3.81Å; V11-L62 HydrophobicContact CG1-CD2 3.96Å; V11-L62 HydrophobicContact CG2-CD2 4.38Å; V11-L62 WeakPolarHBondContact O-CA 3.12Å; M25-L62 HydrophobicContact CG-CB 4.27Å; M25-L62 HydrophobicContact CG-CD1 3.89Å; M25-L62 HydrophobicContact SD-CB 3.97Å; F28-L62 HydrophobicContact CD1-CD1 3.61Å; F28-L62 HydrophobicContact CE1-CD1 3.8Å; V29-L62 HydrophobicContact CG2-CD1 4.06Å; F45-L62 WeakPolarHBondContact CA-O 3.45Å; F46-L62 PolarHBondContact N-O 2.9Å; F46-L62 PolarHBondContact O-N 3.11Å; L60-L62 HydrophobicContact CB-CD2 3.91Å; L60-L62 HydrophobicContact CB-CG 4.4Å; L62-F165 HydrophobicContact CD1-CE1 4.26Å; L62-F165 HydrophobicContact CD2-CD1 4.09Å; L62-F165 HydrophobicContact CD2-CE1 3.93Å |
| 63 | W | 92.9 | Very high | 82.4 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.7 | 172.1 | -60.2 | 95.4 | 0 | 0 | 0 | 108.7 | V11 I12 I13 V43 D44 F45 Y78 | V11-W63 PolarHBondContact O-N 3.29Å; I12-W63 HydrophobicContact CB-CB 4.46Å; I12-W63 HydrophobicContact CG1-CB 4.12Å; I13-W63 PolarHBondContact N-O 3.07Å; V43-W63 HydrophobicContact CG1-CB 4.2Å; V43-W63 HydrophobicContact CG1-CE3 3.73Å; D44-W63 WeakPolarHBondContact O-CA 3.46Å; F45-W63 HydrophobicContact CB-CE3 4.1Å; F45-W63 HydrophobicContact CB-CZ3 3.99Å; F45-W63 AromaticContact CD2-CD2 3.96Å; F45-W63 HydrophobicContact CD2-CD2 3.96Å; F45-W63 AromaticContact CD2-CE2 3.85Å; F45-W63 AromaticContact CD2-CE3 4Å; F45-W63 HydrophobicContact CD2-CE3 4Å; F45-W63 AromaticContact CD2-CH2 3.94Å; F45-W63 HydrophobicContact CD2-CH2 3.94Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 AromaticContact CD2-CZ3 3.99Å; F45-W63 HydrophobicContact CD2-CZ3 3.99Å; F45-W63 HydrophobicContact CE2-CZ2 4.17Å; F45-W63 HydrophobicContact CG-CZ3 4.33Å; W63-Y78 AromaticContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CE1 4.35Å; W63-Y78 AromaticContact CE3-CD1 3.46Å; W63-Y78 HydrophobicContact CE3-CD1 3.46Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.46Å; W63-Y78 AromaticContact CE3-CE1 3.55Å; W63-Y78 HydrophobicContact CE3-CE1 3.55Å; W63-Y78 HydrophobicContact CG-CD1 4.46Å; W63-Y78 HydrophobicContact CH2-CD1 4.22Å; W63-Y78 HydrophobicContact CH2-CE1 4.04Å; W63-Y78 AromaticContact CZ3-CD1 3.7Å; W63-Y78 HydrophobicContact CZ3-CD1 3.7Å; W63-Y78 AromaticContact CZ3-CE1 3.37Å; W63-Y78 HydrophobicContact CZ3-CE1 3.37Å |
| 64 | D | 88.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.7 | 172.1 | 174.7 | 40.2 | 0 | 0 | 0 | 109.5 | K21 S22 M25 V43 D44 | K21-D64 WeakPolarHBondContact CB-OD1 3.44Å; S22-D64 WeakPolarHBondContact CA-OD2 3.46Å; S22-D64 WeakPolarHBondContact CB-OD2 3.46Å; S22-D64 PolarHBondContact OG-OD2 3.29Å; M25-D64 HydrophobicContact CE-CB 3.21Å; M25-D64 HydrophobicContact SD-CB 3.48Å; M25-D64 WeakPolarHBondContact SD-CB 3.46Å; V43-D64 CarbonylContact C-O 3.54Å; V43-D64 VanDerWaalsContact CA-O 3.23Å; V43-D64 WeakPolarHBondContact CA-O 3.2Å; V43-D64 WeakPolarHBondContact CG1-O 3.36Å; D44-D64 HydrophobicContact CB-CB 4.33Å; D44-D64 PolarHBondContact N-O 3.29Å; D44-D64 PolarHBondContact O-N 2.92Å |
| 65 | T | 82.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 148.3 | -169.7 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | I12 I13 K21 V43 G67 T75 | I12-T65 HydrophobicContact CD1-CG2 3.69Å; I12-T65 HydrophobicContact CG1-CG2 3.56Å; I13-T65 PolarHBondContact O-OG1 3Å; I13-T65 VanDerWaalsContact O-OG1 3.07Å; K21-T65 WeakPolarHBondContact CE-O 3.47Å; V43-T65 HydrophobicContact CG1-CG2 4.37Å; V43-T65 HydrophobicContact CG2-CG2 4.3Å; T65-G67 PolarHBondContact O-N 2.94Å; T65-T75 HydrophobicContact CG2-CG2 3.83Å |
| 66 | A | 79.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | trans | -58 | 135.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | T40 G42 F71 | T40-A66 VanDerWaalsContact O-CB 3.25Å; T40-A66 WeakPolarHBondContact O-CB 3.41Å; G42-A66 WeakPolarHBondContact O-CB 3.2Å; G42-A66 PolarHBondContact O-N 2.94Å; A66-F71 HydrophobicContact CB-CB 3.82Å; A66-F71 HydrophobicContact CB-CD2 3.74Å; A66-F71 HydrophobicContact CB-CG 4.08Å | ||
| 67 | G | 70.4 | Confident | 79.7 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | trans | -93.8 | 3.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G15 S17 T65 | G15-G67 WeakPolarHBondContact O-CA 3.36Å; S17-G67 PolarHBondContact N-O 2.76Å; T65-G67 PolarHBondContact O-N 2.94Å | ||
| 68 | Q | 71.1 | Confident | 79.4 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -85.6 | 139.2 | 179.5 | -59.8 | -178.8 | 24.3 | 0 | 0 | 110.2 | K70 F71 | Q68-K70 VanDerWaalsContact C-N 3.3Å; Q68-K70 HydrophobicContact CB-CG 4.33Å; Q68-K70 PolarHBondContact O-N 3.39Å; Q68-K70 VanDerWaalsContact OE1-NZ 3.08Å; Q68-F71 HydrophobicContact CB-CD2 3.92Å; Q68-F71 HydrophobicContact CB-CE2 4.42Å; Q68-F71 PolarHBondContact O-N 3.28Å |
| 69 | E | 63.2 | Low | 79.1 | Confident | 130 Ų | 130 | 44.5 Ų | 44.5 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -54.4 | -42.7 | -177.1 | 71.4 | -56.8 | 131.2 | 0 | 0 | 112.7 | F71 R72 | E69-F71 PolarHBondContact O-N 3.01Å; E69-R72 WeakPolarHBondContact O-CB 3.34Å; E69-R72 WeakPolarHBondContact O-CG 3.48Å; E69-R72 PolarHBondContact O-N 2.64Å |
| 70 | K | 68.8 | Low | 78.8 | Confident | 133 Ų | 133 | 49.8 Ų | 49.8 | 58% | 0.578 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -60.9 | -15.2 | 178.4 | 67.5 | -179.2 | 174.8 | -162.6 | 0 | 114.7 | Q68 | Q68-K70 VanDerWaalsContact C-N 3.3Å; Q68-K70 HydrophobicContact CB-CG 4.33Å; Q68-K70 PolarHBondContact O-N 3.39Å; Q68-K70 VanDerWaalsContact OE1-NZ 3.08Å |
| 71 | F | 67.7 | Low | 78.6 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -103.9 | -1.1 | 176.8 | -60.4 | -56 | 0 | 0 | 0 | 113.4 | I41 A66 Q68 E69 T73 I74 T75 | I41-F71 HydrophobicContact CG2-CZ 4.33Å; A66-F71 HydrophobicContact CB-CB 3.82Å; A66-F71 HydrophobicContact CB-CD2 3.74Å; A66-F71 HydrophobicContact CB-CG 4.08Å; Q68-F71 HydrophobicContact CB-CD2 3.92Å; Q68-F71 HydrophobicContact CB-CE2 4.42Å; Q68-F71 PolarHBondContact O-N 3.28Å; E69-F71 PolarHBondContact O-N 3.01Å; F71-T73 VanDerWaalsContact C-N 3.25Å; F71-T73 PolarHBondContact O-N 2.81Å; F71-I74 HydrophobicContact CD1-CD1 4Å; F71-I74 WeakPolarHBondContact O-CA 3.27Å; F71-I74 WeakPolarHBondContact O-CB 3.34Å; F71-I74 PolarHBondContact O-N 3.15Å; F71-T75 PolarHBondContact O-N 3.48Å; F71-T75 PolarHBondContact O-OG1 2.79Å |
| 72 | R | 68.3 | Low | 78.7 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.9 | -36.3 | -178.1 | -78.4 | -179.2 | 177 | -148.4 | 21.3 | 113.5 | E69 I74 T75 S76 E102 W103 E106 | E69-R72 WeakPolarHBondContact O-CB 3.34Å; E69-R72 WeakPolarHBondContact O-CG 3.48Å; E69-R72 PolarHBondContact O-N 2.64Å; R72-I74 PolarHBondContact O-N 2.84Å; R72-T75 WeakPolarHBondContact O-CB 3.23Å; R72-T75 PolarHBondContact O-N 2.94Å; R72-T75 VanDerWaalsContact O-N 3.11Å; R72-S76 PolarHBondContact O-N 2.98Å; R72-S76 PolarHBondContact O-OG 3.28Å; R72-E102 IonicContact CZ-OE1 3.06Å; R72-E102 IonicContact NH1-OE1 3.64Å; R72-E102 PolarHBondContact NH1-OE1 2.79Å; R72-E102 IonicContact NH2-OE1 3.32Å; R72-E102 PolarHBondContact NH2-OE1 2.76Å; R72-E102 IonicContact NH2-OE2 2.68Å; R72-W103 HydrophobicContact CG-CH2 4.2Å; R72-E106 IonicContact CZ-OE2 3.68Å; R72-E106 IonicContact NE-OE2 2.63Å; R72-E106 IonicContact NH1-OE2 3.63Å; R72-E106 PolarHBondContact NH1-OE2 3.34Å |
| 73 | T | 67.1 | Low | 78.8 | Confident | 123 Ų | 123 | 50.1 Ų | 50.1 | 76% | 0.755 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61 | -33.3 | 175.7 | -48.6 | 0 | 0 | 0 | 0 | 112.8 | F71 | F71-T73 VanDerWaalsContact C-N 3.25Å; F71-T73 PolarHBondContact O-N 2.81Å |
| 74 | I | 66.1 | Low | 79.1 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.6 | -47.4 | 175.1 | -61 | 177 | 0 | 0 | 0 | 108.8 | V43 F71 R72 S76 S77 Y78 | V43-I74 HydrophobicContact CG2-CG2 4.16Å; F71-I74 HydrophobicContact CD1-CD1 4Å; F71-I74 WeakPolarHBondContact O-CA 3.27Å; F71-I74 WeakPolarHBondContact O-CB 3.34Å; F71-I74 PolarHBondContact O-N 3.15Å; R72-I74 PolarHBondContact O-N 2.84Å; I74-S76 VanDerWaalsContact C-N 3.26Å; I74-S76 PolarHBondContact O-N 2.82Å; I74-S77 PolarHBondContact O-N 2.8Å; I74-S77 PolarHBondContact O-OG 3.39Å; I74-Y78 HydrophobicContact CG2-CE2 3.94Å; I74-Y78 WeakPolarHBondContact O-CD2 3.4Å; I74-Y78 WeakPolarHBondContact O-CE2 3.35Å |
| 75 | T | 69.8 | Low | 79.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -38.9 | 177.5 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | I12 T65 F71 R72 S77 Y78 Y79 | I12-T75 HydrophobicContact CD1-CG2 4.32Å; T65-T75 HydrophobicContact CG2-CG2 3.83Å; F71-T75 PolarHBondContact O-N 3.48Å; F71-T75 PolarHBondContact O-OG1 2.79Å; R72-T75 WeakPolarHBondContact O-CB 3.23Å; R72-T75 PolarHBondContact O-N 2.94Å; R72-T75 VanDerWaalsContact O-N 3.11Å; T75-S77 PolarHBondContact O-N 2.81Å; T75-S77 VanDerWaalsContact O-N 3.07Å; T75-Y78 PolarHBondContact O-N 2.93Å; T75-Y79 HydrophobicContact CG2-CE1 4.36Å; T75-Y79 HydrophobicContact CG2-CE2 3.88Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.45Å |
| 76 | S | 71.8 | Confident | 80.3 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.4 | -34.5 | -177.4 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | R72 I74 Y78 | R72-S76 PolarHBondContact O-N 2.98Å; R72-S76 PolarHBondContact O-OG 3.28Å; I74-S76 VanDerWaalsContact C-N 3.26Å; I74-S76 PolarHBondContact O-N 2.82Å; S76-Y78 VanDerWaalsContact C-N 3.29Å; S76-Y78 PolarHBondContact O-N 2.94Å |
| 77 | S | 77.9 | Confident | 81.2 | Confident | 83 Ų | 83 | 47.8 Ų | 47.8 | 58% | 0.58 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70 | -23.5 | -179.8 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | I74 T75 | I74-S77 PolarHBondContact O-N 2.8Å; I74-S77 PolarHBondContact O-OG 3.39Å; T75-S77 PolarHBondContact O-N 2.81Å; T75-S77 VanDerWaalsContact O-N 3.07Å |
| 78 | Y | 85.3 | Confident | 82.5 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -87.7 | -21.2 | -177.4 | -64.6 | -86.5 | 0 | 0 | 0 | 113.1 | V43 W63 I74 T75 S76 R80 C82 | V43-Y78 HydrophobicContact CB-CD2 4.36Å; V43-Y78 HydrophobicContact CB-CE1 4.26Å; V43-Y78 HydrophobicContact CB-CE2 3.89Å; V43-Y78 HydrophobicContact CG1-CD1 4.09Å; V43-Y78 HydrophobicContact CG1-CD2 4.35Å; V43-Y78 HydrophobicContact CG1-CE1 3.99Å; V43-Y78 HydrophobicContact CG1-CE2 4.25Å; V43-Y78 HydrophobicContact CG1-CG 4.27Å; V43-Y78 HydrophobicContact CG2-CD2 3.65Å; V43-Y78 HydrophobicContact CG2-CE2 3.38Å; V43-Y78 HydrophobicContact CG2-CG 4.36Å; W63-Y78 AromaticContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CE1 4.35Å; W63-Y78 AromaticContact CE3-CD1 3.46Å; W63-Y78 HydrophobicContact CE3-CD1 3.46Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.46Å; W63-Y78 AromaticContact CE3-CE1 3.55Å; W63-Y78 HydrophobicContact CE3-CE1 3.55Å; W63-Y78 HydrophobicContact CG-CD1 4.46Å; W63-Y78 HydrophobicContact CH2-CD1 4.22Å; W63-Y78 HydrophobicContact CH2-CE1 4.04Å; W63-Y78 AromaticContact CZ3-CD1 3.7Å; W63-Y78 HydrophobicContact CZ3-CD1 3.7Å; W63-Y78 AromaticContact CZ3-CE1 3.37Å; W63-Y78 HydrophobicContact CZ3-CE1 3.37Å; I74-Y78 HydrophobicContact CG2-CE2 3.94Å; I74-Y78 WeakPolarHBondContact O-CD2 3.4Å; I74-Y78 WeakPolarHBondContact O-CE2 3.35Å; T75-Y78 PolarHBondContact O-N 2.93Å; S76-Y78 VanDerWaalsContact C-N 3.29Å; S76-Y78 PolarHBondContact O-N 2.94Å; Y78-R80 PolarHBondContact O-N 3.48Å; Y78-C82 PolarHBondContact O-SG 3.38Å |
| 79 | Y | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 178.1 | -69.2 | -58.6 | 0 | 0 | 0 | 113.4 | I12 I14 T75 N81 C82 E106 A107 S110 I111 | I12-Y79 HydrophobicContact CD1-CD1 3.77Å; I12-Y79 HydrophobicContact CD1-CE1 3.85Å; I12-Y79 HydrophobicContact CD1-CG 4.45Å; I12-Y79 HydrophobicContact CG2-CD1 4.14Å; I12-Y79 HydrophobicContact CG2-CE1 4.32Å; I14-Y79 HydrophobicContact CD1-CE1 4.26Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; T75-Y79 HydrophobicContact CG2-CE1 4.36Å; T75-Y79 HydrophobicContact CG2-CE2 3.88Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.45Å; Y79-N81 PolarHBondContact O-N 3.08Å; Y79-C82 WeakPolarHBondContact O-CB 3.38Å; Y79-C82 PolarHBondContact O-N 2.93Å; Y79-E106 HydrophobicContact CE2-CG 3.96Å; Y79-E106 VanDerWaalsContact CE2-OE1 3.23Å; Y79-E106 WeakPolarHBondContact CE2-OE1 3.45Å; Y79-E106 PolarHBondContact OH-OE1 3.03Å; Y79-A107 HydrophobicContact CD1-CB 3.93Å; Y79-A107 HydrophobicContact CE1-CB 3.64Å; Y79-S110 VanDerWaalsContact CB-CB 3.43Å; Y79-S110 VanDerWaalsContact CD2-CB 3.45Å; Y79-I111 WeakPolarHBondContact O-CG1 3.34Å |
| 80 | R | 89.7 | Confident | 85.5 | Confident | 156 Ų | 156 | 39.6 Ų | 39.6 | 59% | 0.589 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -41.8 | -160.5 | -172.6 | -179.5 | 179.7 | 136.9 | 1.4 | 114.3 | Y78 S110 K112 | Y78-R80 PolarHBondContact O-N 3.48Å; R80-S110 WeakPolarHBondContact CA-O 3.28Å; R80-K112 HydrophobicContact CG-CB 4.35Å; R80-K112 WeakPolarHBondContact O-CB 3.45Å; R80-K112 PolarHBondContact O-N 3.29Å |
| 81 | N | 92.3 | Very high | 86.9 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 12.9 | -175.8 | -62.6 | -10 | 0 | 0 | 0 | 113 | R10 Y79 D191 G192 | R10-N81 WeakPolarHBondContact CB-O 3.41Å; Y79-N81 PolarHBondContact O-N 3.08Å; N81-D191 WeakPolarHBondContact CB-OD1 3.28Å; N81-D191 PolarHBondContact ND2-OD1 2.67Å; N81-G192 WeakPolarHBondContact O-CA 3.42Å |
| 82 | C | 95.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -75.6 | 149.6 | 172.5 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | I12 Y78 Y79 I111 | I12-C82 HydrophobicContact CB-CB 4.49Å; I12-C82 HydrophobicContact CG2-CB 4.18Å; Y78-C82 PolarHBondContact O-SG 3.38Å; Y79-C82 WeakPolarHBondContact O-CB 3.38Å; Y79-C82 PolarHBondContact O-N 2.93Å; C82-I111 HydrophobicContact CB-CG1 4.5Å; C82-I111 VanDerWaalsContact O-CG2 3.28Å; C82-I111 WeakPolarHBondContact O-CG2 3.35Å | ||
| 83 | V | 97.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -123.2 | -21.3 | 174.3 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | F9 R10 P116 V117 I172 Y181 W190 G192 V193 | F9-V83 HydrophobicContact CB-CG2 3.97Å; R10-V83 WeakPolarHBondContact O-CG2 3.23Å; R10-V83 PolarHBondContact O-N 2.88Å; V83-P116 CarbonylContact O-C 3.52Å; V83-P116 WeakPolarHBondContact O-CA 3.41Å; V83-V117 PolarHBondContact O-N 2.91Å; V83-I172 HydrophobicContact CB-CG2 4.28Å; V83-I172 HydrophobicContact CG2-CD1 4.13Å; V83-I172 HydrophobicContact CG2-CG1 4.44Å; V83-I172 HydrophobicContact CG2-CG2 3.83Å; V83-Y181 HydrophobicContact CG1-CE1 4.14Å; V83-W190 HydrophobicContact CG1-CH2 3.42Å; V83-W190 VanDerWaalsContact CG1-CH2 3.42Å; V83-W190 HydrophobicContact CG1-CZ2 3.36Å; V83-G192 WeakPolarHBondContact CG2-O 3.25Å; V83-V193 HydrophobicContact CG1-CG2 4.04Å; V83-V193 HydrophobicContact CG2-CG2 4.18Å |
| 84 | G | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 142.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R10 V11 I12 V117 | R10-G84 PolarHBondContact O-N 2.94Å; R10-G84 VanDerWaalsContact O-N 3.1Å; V11-G84 VanDerWaalsContact CA-O 3.27Å; V11-G84 WeakPolarHBondContact CA-O 3.35Å; I12-G84 PolarHBondContact N-O 3.45Å; I12-G84 VanDerWaalsContact N-O 3.08Å; G84-V117 CarbonylContact C-O 3.45Å; G84-V117 WeakPolarHBondContact CA-O 3.44Å |
| 85 | V | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.2 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 109 | I12 I14 V87 A107 I111 V117 F118 I119 | I12-V85 HydrophobicContact CG2-CB 4.39Å; I12-V85 HydrophobicContact CG2-CG1 4.08Å; I12-V85 HydrophobicContact CG2-CG2 4.07Å; I12-V85 WeakPolarHBondContact O-CA 3.47Å; I14-V85 HydrophobicContact CD1-CG1 3.67Å; I14-V85 HydrophobicContact CG1-CG1 3.98Å; V85-V87 HydrophobicContact CG1-CG2 3.95Å; V85-A107 HydrophobicContact CG1-CB 4.19Å; V85-I111 HydrophobicContact CG2-CD1 3.3Å; V85-V117 PolarHBondContact N-O 2.89Å; V85-F118 HydrophobicContact CB-CD1 3.46Å; V85-F118 VanDerWaalsContact CB-CD1 3.46Å; V85-F118 HydrophobicContact CB-CE1 3.56Å; V85-F118 HydrophobicContact CB-CG 4.15Å; V85-F118 HydrophobicContact CB-CZ 4.33Å; V85-F118 HydrophobicContact CG1-CD1 3.71Å; V85-F118 HydrophobicContact CG1-CE1 3.63Å; V85-F118 HydrophobicContact CG2-CD1 4.02Å; V85-F118 HydrophobicContact CG2-CE1 3.66Å; V85-F118 HydrophobicContact CG2-CZ 3.96Å; V85-F118 WeakPolarHBondContact O-CA 3.23Å; V85-I119 PolarHBondContact O-N 2.88Å |
| 86 | V | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 111.8 | 171.5 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | V11 I12 I13 I14 L24 V88 V121 T164 F165 L168 | V11-V86 HydrophobicContact CG1-CG2 4.16Å; I12-V86 PolarHBondContact O-N 3.08Å; I13-V86 WeakPolarHBondContact CA-O 3.42Å; I13-V86 HydrophobicContact CG1-CB 4.23Å; I13-V86 HydrophobicContact CG1-CG2 4.47Å; I13-V86 HydrophobicContact CG2-CB 4.31Å; I13-V86 HydrophobicContact CG2-CG1 4.48Å; I14-V86 PolarHBondContact N-O 2.64Å; L24-V86 HydrophobicContact CD2-CG1 4.17Å; V86-V88 HydrophobicContact CG1-CG2 3.82Å; V86-V121 HydrophobicContact CG1-CB 4.31Å; V86-V121 HydrophobicContact CG1-CG2 3.5Å; V86-V121 VanDerWaalsContact CG1-CG2 3.5Å; V86-T164 HydrophobicContact CG1-CG2 4.44Å; V86-F165 HydrophobicContact CG2-CE1 4.29Å; V86-L168 HydrophobicContact CG2-CD2 3.84Å |
| 87 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 112.5 | 178.2 | -167.9 | 0 | 0 | 0 | 0 | 108.2 | I14 V85 V100 W103 F118 I119 I120 V121 | I14-V87 HydrophobicContact CD1-CG2 4.1Å; I14-V87 HydrophobicContact CG1-CB 4.39Å; I14-V87 HydrophobicContact CG1-CG1 4.32Å; I14-V87 HydrophobicContact CG1-CG2 4.07Å; V85-V87 HydrophobicContact CG1-CG2 3.95Å; V87-V100 HydrophobicContact CG1-CB 4.48Å; V87-V100 HydrophobicContact CG1-CG1 3.91Å; V87-V100 HydrophobicContact CG1-CG2 4.47Å; V87-W103 HydrophobicContact CG1-CB 3.95Å; V87-F118 HydrophobicContact CG2-CD1 4.04Å; V87-I119 PolarHBondContact N-O 2.92Å; V87-I120 HydrophobicContact CB-CD1 3.93Å; V87-I120 HydrophobicContact CG2-CD1 4.07Å; V87-V121 PolarHBondContact O-N 3.1Å |
| 88 | V | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.2 | -171.1 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | I13 I14 G15 V19 K21 L24 V86 V121 H123 | I13-V88 HydrophobicContact CG2-CG2 3.68Å; I14-V88 PolarHBondContact O-N 2.84Å; G15-V88 WeakPolarHBondContact CA-O 3.48Å; V19-V88 HydrophobicContact CB-CG1 4.33Å; V19-V88 HydrophobicContact CG2-CB 3.95Å; V19-V88 HydrophobicContact CG2-CG1 3.83Å; K21-V88 HydrophobicContact CG-CB 4.16Å; K21-V88 HydrophobicContact CG-CG2 4.25Å; L24-V88 HydrophobicContact CD2-CG2 3.89Å; V86-V88 HydrophobicContact CG1-CG2 3.82Å; V88-V121 WeakPolarHBondContact CA-O 3.48Å; V88-V121 HydrophobicContact CG1-CG1 4.4Å; V88-V121 HydrophobicContact CG2-CB 4.32Å; V88-H123 HydrophobicContact CG1-CB 3.79Å |
| 89 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 163.8 | 167 | 70.6 | -87.5 | 0 | 0 | 0 | 110.1 | L91 T96 F97 V100 I120 V121 G122 H123 V133 A138 Y150 | F89-L91 HydrophobicContact CE2-CD2 3.84Å; F89-L91 HydrophobicContact CE2-CG 4.42Å; F89-L91 HydrophobicContact CZ-CD2 4.18Å; F89-T96 WeakPolarHBondContact CB-O 3.34Å; F89-F97 HydrophobicContact CD1-CD2 4.24Å; F89-F97 HydrophobicContact CD2-CB 3.7Å; F89-F97 HydrophobicContact CD2-CD2 4.04Å; F89-F97 HydrophobicContact CD2-CG 4.35Å; F89-F97 AromaticContact CE1-CD2 3.99Å; F89-F97 HydrophobicContact CE1-CD2 3.99Å; F89-F97 HydrophobicContact CE2-CB 4.09Å; F89-F97 AromaticContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CE2-CG 4.31Å; F89-F97 HydrophobicContact CG-CB 4.16Å; F89-F97 HydrophobicContact CG-CD2 4.26Å; F89-F97 AromaticContact CZ-CD2 3.75Å; F89-F97 HydrophobicContact CZ-CD2 3.75Å; F89-F97 HydrophobicContact CZ-CE2 4.34Å; F89-V100 HydrophobicContact CB-CG2 3.74Å; F89-V100 HydrophobicContact CD1-CG2 3.73Å; F89-V100 HydrophobicContact CG-CG2 4Å; F89-I120 HydrophobicContact CD1-CG2 4.33Å; F89-I120 HydrophobicContact CE1-CG2 3.98Å; F89-V121 VanDerWaalsContact CD1-O 3.26Å; F89-V121 WeakPolarHBondContact CD1-O 3.38Å; F89-V121 PolarHBondContact N-O 2.96Å; F89-G122 VanDerWaalsContact CZ-CA 3.49Å; F89-H123 WeakPolarHBondContact O-CB 3.41Å; F89-H123 PolarHBondContact O-N 2.87Å; F89-V133 HydrophobicContact CE2-CB 4.08Å; F89-V133 HydrophobicContact CE2-CG1 3.91Å; F89-V133 HydrophobicContact CE2-CG2 4.25Å; F89-V133 HydrophobicContact CZ-CG1 4.25Å; F89-A138 HydrophobicContact CE1-CB 4.47Å; F89-A138 HydrophobicContact CZ-CB 3.92Å; F89-Y150 AromaticContact CE1-CE2 3.86Å; F89-Y150 HydrophobicContact CE1-CE2 3.86Å; F89-Y150 AromaticContact CZ-CE2 3.81Å; F89-Y150 HydrophobicContact CZ-CE2 3.81Å |
| 90 | D | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123 | 177.6 | -178.5 | -9.3 | 0 | 0 | 0 | 110.1 | V19 T92 D93 T96 K124 | V19-D90 HydrophobicContact CB-CB 4.31Å; V19-D90 HydrophobicContact CG1-CB 4.24Å; D90-T92 PolarHBondContact O-N 2.67Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CB 3.23Å; D90-T92 PolarHBondContact OD1-N 3.23Å; D90-T92 PolarHBondContact OD1-OG1 2.93Å; D90-T92 PolarHBondContact OD2-OG1 3.26Å; D90-T92 VanDerWaalsContact OD2-OG1 3.11Å; D90-D93 HydrophobicContact CB-CB 4.05Å; D90-D93 PolarHBondContact O-N 3.28Å; D90-D93 VanDerWaalsContact O-O 3.11Å; D90-T96 PolarHBondContact N-OG1 3.09Å; D90-T96 PolarHBondContact O-OG1 3.33Å; D90-K124 WeakPolarHBondContact OD1-CD 3.47Å; D90-K124 VanDerWaalsContact OD2-CD 3.28Å; D90-K124 WeakPolarHBondContact OD2-CD 3.07Å; D90-K124 WeakPolarHBondContact OD2-CE 3.42Å; D90-K124 IonicContact OD2-NZ 2.72Å; D90-K124 PolarHBondContact OD2-NZ 3.4Å |
| 91 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.5 | 178.4 | -74 | 167 | 0 | 0 | 0 | 113.6 | F89 H123 A125 R131 Q132 V133 E152 | F89-L91 HydrophobicContact CE2-CD2 3.84Å; F89-L91 HydrophobicContact CE2-CG 4.42Å; F89-L91 HydrophobicContact CZ-CD2 4.18Å; L91-H123 VanDerWaalsContact CB-O 3.27Å; L91-H123 WeakPolarHBondContact CB-O 3.47Å; L91-H123 WeakPolarHBondContact CD1-O 3.23Å; L91-H123 VanDerWaalsContact CG-O 3.25Å; L91-H123 WeakPolarHBondContact CG-O 3.38Å; L91-H123 PolarHBondContact N-O 3.17Å; L91-A125 HydrophobicContact CD1-CB 3.73Å; L91-R131 WeakPolarHBondContact O-CA 3.42Å; L91-Q132 PolarHBondContact O-N 3.41Å; L91-V133 HydrophobicContact CD2-CB 4.47Å; L91-V133 PolarHBondContact O-N 2.54Å; L91-E152 HydrophobicContact CD1-CB 4.35Å; L91-E152 HydrophobicContact CD1-CG 4.11Å |
| 92 | T | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 28 Ų | 28 | 9% | 0.092 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.1 | 179.5 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | D90 R127 E130 Q132 | D90-T92 PolarHBondContact O-N 2.67Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CB 3.23Å; D90-T92 PolarHBondContact OD1-N 3.23Å; D90-T92 PolarHBondContact OD1-OG1 2.93Å; D90-T92 PolarHBondContact OD2-OG1 3.26Å; D90-T92 VanDerWaalsContact OD2-OG1 3.11Å; T92-R127 HydrophobicContact CG2-CB 3.5Å; T92-R127 VanDerWaalsContact CG2-CB 3.5Å; T92-R127 HydrophobicContact CG2-CG 4.33Å; T92-E130 WeakPolarHBondContact CA-O 3.45Å; T92-E130 HydrophobicContact CG2-CB 3.6Å; T92-Q132 WeakPolarHBondContact O-CG 3.28Å; T92-Q132 PolarHBondContact O-NE2 3.31Å |
| 93 | D | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 28 Ų | 28 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | trans | -133.5 | 100.2 | -178.5 | -171.6 | -16.8 | 0 | 0 | 0 | 110.7 | D90 E95 T96 | D90-D93 HydrophobicContact CB-CB 4.05Å; D90-D93 PolarHBondContact O-N 3.28Å; D90-D93 VanDerWaalsContact O-O 3.11Å; D93-E95 PolarHBondContact O-N 2.97Å; D93-E95 WeakPolarHBondContact OD1-CB 3.43Å; D93-E95 PolarHBondContact OD1-N 3.47Å; D93-E95 VanDerWaalsContact OD1-N 3.08Å; D93-T96 HydrophobicContact CB-CG2 3.94Å; D93-T96 PolarHBondContact O-N 3.17Å; D93-T96 PolarHBondContact O-OG1 3.49Å | ||
| 94 | R | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 28.3 Ų | 28.3 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58.7 | -33.2 | -178.8 | 177 | 59.6 | -179.2 | -117.6 | 5.9 | 113.1 | T96 F97 D98 Q132 E137 | R94-T96 VanDerWaalsContact C-N 3.29Å; R94-T96 PolarHBondContact O-N 2.68Å; R94-F97 WeakPolarHBondContact O-CB 3.31Å; R94-F97 PolarHBondContact O-N 3.43Å; R94-F97 VanDerWaalsContact O-N 3.12Å; R94-D98 IonicContact CZ-OD1 3.43Å; R94-D98 IonicContact NE-OD1 2.7Å; R94-D98 PolarHBondContact NE-OD1 3.45Å; R94-D98 IonicContact NE-OD2 3.69Å; R94-D98 IonicContact NH2-OD1 3.19Å; R94-D98 PolarHBondContact O-N 3.24Å; R94-Q132 HydrophobicContact CB-CB 4.09Å; R94-E137 IonicContact CZ-OE1 3.55Å; R94-E137 IonicContact NH1-OE1 2.73Å; R94-E137 PolarHBondContact NH1-OE1 2.75Å; R94-E137 IonicContact NH1-OE2 3.93Å; R94-E137 IonicContact NH2-OE1 3.58Å |
| 95 | E | 98.2 | Very high | 97.6 | Very high | 120 Ų | 120 | 32.5 Ų | 32.5 | 56% | 0.561 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -61.4 | -42.5 | -178.8 | -174.4 | 175 | 175 | 0 | 0 | 110.4 | D93 F97 D98 H99 | D93-E95 PolarHBondContact O-N 2.97Å; D93-E95 WeakPolarHBondContact OD1-CB 3.43Å; D93-E95 PolarHBondContact OD1-N 3.47Å; D93-E95 VanDerWaalsContact OD1-N 3.08Å; E95-F97 PolarHBondContact O-N 3.12Å; E95-D98 PolarHBondContact O-N 2.85Å; E95-D98 VanDerWaalsContact O-N 3.11Å; E95-H99 VanDerWaalsContact CG-CE1 3.47Å; E95-H99 WeakPolarHBondContact CG-CE1 3.48Å; E95-H99 PolarHBondContact O-N 3.4Å; E95-H99 VanDerWaalsContact O-N 3.14Å; E95-H99 PolarHBondContact O-ND1 2.83Å; E95-H99 IonicContact OE1-CE1 3.29Å |
| 96 | T | 98 | Very high | 97.4 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -27.3 | 178.4 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | D16 V19 F89 D90 D93 R94 | D16-T96 HydrophobicContact CB-CG2 3.9Å; D16-T96 WeakPolarHBondContact OD2-CA 3.31Å; V19-T96 HydrophobicContact CG1-CG2 3.68Å; F89-T96 WeakPolarHBondContact CB-O 3.34Å; D90-T96 PolarHBondContact N-OG1 3.09Å; D90-T96 PolarHBondContact O-OG1 3.33Å; D93-T96 HydrophobicContact CB-CG2 3.94Å; D93-T96 PolarHBondContact O-N 3.17Å; D93-T96 PolarHBondContact O-OG1 3.49Å; R94-T96 VanDerWaalsContact C-N 3.29Å; R94-T96 PolarHBondContact O-N 2.68Å |
| 97 | F | 98.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75 | -42.8 | 173.2 | 169.3 | -102.1 | 0 | 0 | 0 | 111.9 | F89 R94 E95 H99 V100 V133 E137 A138 L141 | F89-F97 HydrophobicContact CD1-CD2 4.24Å; F89-F97 HydrophobicContact CD2-CB 3.7Å; F89-F97 HydrophobicContact CD2-CD2 4.04Å; F89-F97 HydrophobicContact CD2-CG 4.35Å; F89-F97 AromaticContact CE1-CD2 3.99Å; F89-F97 HydrophobicContact CE1-CD2 3.99Å; F89-F97 HydrophobicContact CE2-CB 4.09Å; F89-F97 AromaticContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CE2-CG 4.31Å; F89-F97 HydrophobicContact CG-CB 4.16Å; F89-F97 HydrophobicContact CG-CD2 4.26Å; F89-F97 AromaticContact CZ-CD2 3.75Å; F89-F97 HydrophobicContact CZ-CD2 3.75Å; F89-F97 HydrophobicContact CZ-CE2 4.34Å; R94-F97 WeakPolarHBondContact O-CB 3.31Å; R94-F97 PolarHBondContact O-N 3.43Å; R94-F97 VanDerWaalsContact O-N 3.12Å; E95-F97 PolarHBondContact O-N 3.12Å; F97-H99 PolarHBondContact O-N 3.01Å; F97-V100 VanDerWaalsContact O-CB 3.28Å; F97-V100 WeakPolarHBondContact O-CB 3.44Å; F97-V100 WeakPolarHBondContact O-CG2 3.26Å; F97-V100 PolarHBondContact O-N 2.91Å; F97-V133 HydrophobicContact CB-CG1 4.5Å; F97-V133 HydrophobicContact CB-CG2 3.62Å; F97-V133 HydrophobicContact CD1-CG1 4.2Å; F97-V133 HydrophobicContact CD1-CG2 4.13Å; F97-V133 HydrophobicContact CD2-CG1 3.81Å; F97-V133 HydrophobicContact CD2-CG2 4.46Å; F97-V133 HydrophobicContact CE1-CG1 4.37Å; F97-V133 HydrophobicContact CE2-CG1 4.01Å; F97-V133 HydrophobicContact CG-CG1 3.9Å; F97-V133 HydrophobicContact CG-CG2 3.82Å; F97-V133 HydrophobicContact CZ-CG1 4.27Å; F97-E137 HydrophobicContact CE1-CB 4.48Å; F97-E137 HydrophobicContact CZ-CB 4.2Å; F97-A138 HydrophobicContact CE2-CB 4.07Å; F97-L141 HydrophobicContact CD2-CD2 4.05Å; F97-L141 HydrophobicContact CE2-CB 4.03Å; F97-L141 HydrophobicContact CE2-CD2 3.39Å; F97-L141 HydrophobicContact CE2-CG 4.35Å; F97-L141 HydrophobicContact CZ-CB 3.92Å; F97-L141 HydrophobicContact CZ-CD2 3.72Å; F97-L141 HydrophobicContact CZ-CG 4.41Å |
| 98 | D | 98.3 | Very high | 97 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.6 | -27.5 | 179.9 | -66.7 | -23.9 | 0 | 0 | 0 | 111.3 | R94 E95 | R94-D98 IonicContact CZ-OD1 3.43Å; R94-D98 IonicContact NE-OD1 2.7Å; R94-D98 PolarHBondContact NE-OD1 3.45Å; R94-D98 IonicContact NE-OD2 3.69Å; R94-D98 IonicContact NH2-OD1 3.19Å; R94-D98 PolarHBondContact O-N 3.24Å; E95-D98 PolarHBondContact O-N 2.85Å; E95-D98 VanDerWaalsContact O-N 3.11Å |
| 99 | H | 97.2 | Very high | 96.7 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9 | 173.5 | -62 | 151.1 | 0 | 0 | 0 | 115.5 | D16 E95 F97 A101 E102 W103 | D16-H99 IonicContact OD1-ND1 3.67Å; D16-H99 IonicContact OD2-CE1 2.95Å; D16-H99 IonicContact OD2-CG 3.66Å; D16-H99 IonicContact OD2-ND1 2.69Å; D16-H99 PolarHBondContact OD2-ND1 2.97Å; E95-H99 VanDerWaalsContact CG-CE1 3.47Å; E95-H99 WeakPolarHBondContact CG-CE1 3.48Å; E95-H99 PolarHBondContact O-N 3.4Å; E95-H99 VanDerWaalsContact O-N 3.14Å; E95-H99 PolarHBondContact O-ND1 2.83Å; E95-H99 IonicContact OE1-CE1 3.29Å; F97-H99 PolarHBondContact O-N 3.01Å; H99-A101 VanDerWaalsContact C-N 3.26Å; H99-A101 PolarHBondContact O-N 2.98Å; H99-E102 WeakPolarHBondContact O-CB 3.45Å; H99-E102 PolarHBondContact O-N 3.26Å; H99-W103 PolarHBondContact O-N 3.01Å; H99-W103 VanDerWaalsContact O-N 3.15Å |
| 100 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.2 | -38.4 | -177.8 | 166.1 | 0 | 0 | 0 | 0 | 112.4 | V87 F89 F97 E102 W103 Y104 I120 L141 L145 | V87-V100 HydrophobicContact CG1-CB 4.48Å; V87-V100 HydrophobicContact CG1-CG1 3.91Å; V87-V100 HydrophobicContact CG1-CG2 4.47Å; F89-V100 HydrophobicContact CB-CG2 3.74Å; F89-V100 HydrophobicContact CD1-CG2 3.73Å; F89-V100 HydrophobicContact CG-CG2 4Å; F97-V100 VanDerWaalsContact O-CB 3.28Å; F97-V100 WeakPolarHBondContact O-CB 3.44Å; F97-V100 WeakPolarHBondContact O-CG2 3.26Å; F97-V100 PolarHBondContact O-N 2.91Å; V100-E102 VanDerWaalsContact C-N 3.29Å; V100-E102 PolarHBondContact O-N 3Å; V100-W103 PolarHBondContact O-N 3.24Å; V100-Y104 WeakPolarHBondContact O-CB 3.31Å; V100-Y104 PolarHBondContact O-N 2.84Å; V100-I120 HydrophobicContact CG1-CD1 4.23Å; V100-I120 HydrophobicContact CG1-CG2 4.21Å; V100-L141 HydrophobicContact CB-CD2 3.78Å; V100-L141 HydrophobicContact CG1-CD2 3.65Å; V100-L145 HydrophobicContact CG1-CD1 4.16Å |
| 101 | A | 97.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | H99 E105 L145 | H99-A101 VanDerWaalsContact C-N 3.26Å; H99-A101 PolarHBondContact O-N 2.98Å; A101-E105 WeakPolarHBondContact O-CG 3.48Å; A101-E105 PolarHBondContact O-N 3.09Å; A101-L145 HydrophobicContact CB-CD2 4.23Å |
| 102 | E | 94.7 | Very high | 95.9 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.5 | -46.6 | 176.9 | -168.9 | -170.9 | 148.5 | 0 | 0 | 111.1 | R72 H99 V100 Y104 E105 E106 | R72-E102 IonicContact CZ-OE1 3.06Å; R72-E102 IonicContact NH1-OE1 3.64Å; R72-E102 PolarHBondContact NH1-OE1 2.79Å; R72-E102 IonicContact NH2-OE1 3.32Å; R72-E102 PolarHBondContact NH2-OE1 2.76Å; R72-E102 IonicContact NH2-OE2 2.68Å; H99-E102 WeakPolarHBondContact O-CB 3.45Å; H99-E102 PolarHBondContact O-N 3.26Å; V100-E102 VanDerWaalsContact C-N 3.29Å; V100-E102 PolarHBondContact O-N 3Å; E102-Y104 VanDerWaalsContact C-N 3.3Å; E102-Y104 PolarHBondContact O-N 3.37Å; E102-E105 PolarHBondContact O-N 2.82Å; E102-E106 WeakPolarHBondContact O-CB 3.44Å; E102-E106 PolarHBondContact O-N 2.88Å |
| 103 | W | 94.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 174.9 | -77 | 110.5 | 0 | 0 | 0 | 112.6 | I14 G15 D16 R72 V87 H99 V100 A107 | I14-W103 HydrophobicContact CB-CE3 4.01Å; I14-W103 HydrophobicContact CB-CZ3 4.47Å; I14-W103 HydrophobicContact CD1-CB 4.08Å; I14-W103 HydrophobicContact CD1-CE3 4.35Å; I14-W103 WeakPolarHBondContact CD1-O 3.41Å; I14-W103 HydrophobicContact CG1-CB 4.41Å; G15-W103 VanDerWaalsContact C-CE2 3.43Å; G15-W103 WeakPolarHBondContact O-CZ2 3.46Å; D16-W103 PolarHBondContact OD1-NE1 3.13Å; R72-W103 HydrophobicContact CG-CH2 4.2Å; V87-W103 HydrophobicContact CG1-CB 3.95Å; H99-W103 PolarHBondContact O-N 3.01Å; H99-W103 VanDerWaalsContact O-N 3.15Å; V100-W103 PolarHBondContact O-N 3.24Å; W103-A107 WeakPolarHBondContact O-CB 3.26Å; W103-A107 PolarHBondContact O-N 3.34Å; W103-A107 VanDerWaalsContact O-N 3.09Å |
| 104 | Y | 96 | Very high | 95.3 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -51.2 | 175.2 | 165.1 | -106 | 0 | 0 | 0 | 111.8 | V100 E102 E106 A107 R108 F118 L145 Y148 | V100-Y104 WeakPolarHBondContact O-CB 3.31Å; V100-Y104 PolarHBondContact O-N 2.84Å; E102-Y104 VanDerWaalsContact C-N 3.3Å; E102-Y104 PolarHBondContact O-N 3.37Å; Y104-E106 VanDerWaalsContact C-N 3.35Å; Y104-E106 PolarHBondContact O-N 3.41Å; Y104-A107 PolarHBondContact O-N 2.55Å; Y104-R108 HydrophobicContact CE2-CB 4.39Å; Y104-R108 VanDerWaalsContact O-CB 3.23Å; Y104-R108 WeakPolarHBondContact O-CB 3.41Å; Y104-R108 PolarHBondContact O-N 3.21Å; Y104-F118 AromaticContact CD2-CD1 3.77Å; Y104-F118 HydrophobicContact CD2-CD1 3.77Å; Y104-F118 HydrophobicContact CD2-CD2 4.44Å; Y104-F118 AromaticContact CD2-CE1 3.63Å; Y104-F118 HydrophobicContact CD2-CE1 3.63Å; Y104-F118 HydrophobicContact CD2-CE2 4.29Å; Y104-F118 HydrophobicContact CD2-CG 4.19Å; Y104-F118 AromaticContact CD2-CZ 3.92Å; Y104-F118 HydrophobicContact CD2-CZ 3.92Å; Y104-F118 HydrophobicContact CE2-CD1 4.19Å; Y104-F118 HydrophobicContact CE2-CD2 4.04Å; Y104-F118 HydrophobicContact CE2-CE1 4.06Å; Y104-F118 AromaticContact CE2-CE2 3.86Å; Y104-F118 HydrophobicContact CE2-CE2 3.86Å; Y104-F118 HydrophobicContact CE2-CG 4.2Å; Y104-F118 AromaticContact CE2-CZ 3.89Å; Y104-F118 HydrophobicContact CE2-CZ 3.89Å; Y104-L145 HydrophobicContact CD1-CB 4.17Å; Y104-L145 HydrophobicContact CD1-CD1 4.25Å; Y104-L145 HydrophobicContact CD1-CD2 3.67Å; Y104-L145 HydrophobicContact CD1-CG 4.23Å; Y104-L145 HydrophobicContact CE1-CB 4.07Å; Y104-L145 HydrophobicContact CE1-CD2 4.05Å; Y104-L145 HydrophobicContact CG-CB 4.41Å; Y104-L145 HydrophobicContact CG-CD1 4.06Å; Y104-L145 HydrophobicContact CG-CD2 4.32Å; Y104-L145 HydrophobicContact CG-CG 4.49Å; Y104-L145 PolarHBondContact OH-O 2.89Å; Y104-Y148 HydrophobicContact CD2-CE2 4.08Å; Y104-Y148 HydrophobicContact CE2-CD2 4.44Å; Y104-Y148 AromaticContact CE2-CE2 3.38Å; Y104-Y148 HydrophobicContact CE2-CE2 3.38Å; Y104-Y148 AromaticContact CE2-CZ 3.83Å; Y104-Y148 AromaticContact CZ-CE2 3.82Å; Y104-Y148 PolarHBondContact OH-OH 2.9Å |
| 105 | E | 95.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | -179 | -72.6 | -60 | 157.1 | 0 | 0 | 112 | A101 E102 A107 R108 A109 | A101-E105 WeakPolarHBondContact O-CG 3.48Å; A101-E105 PolarHBondContact O-N 3.09Å; E102-E105 PolarHBondContact O-N 2.82Å; E105-A107 PolarHBondContact O-N 2.82Å; E105-R108 PolarHBondContact O-N 3.16Å; E105-R108 IonicContact OE1-NH1 3.58Å; E105-R108 PolarHBondContact OE1-NH1 3.42Å; E105-R108 IonicContact OE2-NH1 3.31Å; E105-A109 VanDerWaalsContact O-CB 3.23Å; E105-A109 WeakPolarHBondContact O-CB 3.21Å; E105-A109 PolarHBondContact O-N 3.41Å |
| 106 | E | 92.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 174.3 | -173.3 | -176.6 | 123.6 | 0 | 0 | 111.5 | R72 Y79 E102 Y104 S110 | R72-E106 IonicContact CZ-OE2 3.68Å; R72-E106 IonicContact NE-OE2 2.63Å; R72-E106 IonicContact NH1-OE2 3.63Å; R72-E106 PolarHBondContact NH1-OE2 3.34Å; Y79-E106 HydrophobicContact CE2-CG 3.96Å; Y79-E106 VanDerWaalsContact CE2-OE1 3.23Å; Y79-E106 WeakPolarHBondContact CE2-OE1 3.45Å; Y79-E106 PolarHBondContact OH-OE1 3.03Å; E102-E106 WeakPolarHBondContact O-CB 3.44Å; E102-E106 PolarHBondContact O-N 2.88Å; Y104-E106 VanDerWaalsContact C-N 3.35Å; Y104-E106 PolarHBondContact O-N 3.41Å; E106-S110 VanDerWaalsContact O-CB 3.29Å; E106-S110 WeakPolarHBondContact O-CB 3.38Å; E106-S110 PolarHBondContact O-N 3.38Å; E106-S110 PolarHBondContact O-OG 2.78Å |
| 107 | A | 93.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I14 Y79 V85 W103 Y104 E105 A109 S110 I111 F118 | I14-A107 HydrophobicContact CD1-CB 3.68Å; Y79-A107 HydrophobicContact CD1-CB 3.93Å; Y79-A107 HydrophobicContact CE1-CB 3.64Å; V85-A107 HydrophobicContact CG1-CB 4.19Å; W103-A107 WeakPolarHBondContact O-CB 3.26Å; W103-A107 PolarHBondContact O-N 3.34Å; W103-A107 VanDerWaalsContact O-N 3.09Å; Y104-A107 PolarHBondContact O-N 2.55Å; E105-A107 PolarHBondContact O-N 2.82Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 3.02Å; A107-S110 PolarHBondContact O-N 3.41Å; A107-S110 VanDerWaalsContact O-N 3.12Å; A107-I111 HydrophobicContact CB-CD1 4.34Å; A107-I111 WeakPolarHBondContact O-CB 3.34Å; A107-I111 WeakPolarHBondContact O-CD1 3.41Å; A107-I111 VanDerWaalsContact O-CG1 3.23Å; A107-I111 WeakPolarHBondContact O-CG1 3.45Å; A107-I111 PolarHBondContact O-N 3.07Å; A107-F118 HydrophobicContact CB-CE1 3.92Å; A107-F118 HydrophobicContact CB-CZ 4.23Å |
| 108 | R | 94.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 46.6 Ų | 46.6 | 50% | 0.502 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 179.3 | -177.6 | -168.6 | 178.2 | -173.5 | 2.4 | 111.9 | Y104 E105 S110 F118 | Y104-R108 HydrophobicContact CE2-CB 4.39Å; Y104-R108 VanDerWaalsContact O-CB 3.23Å; Y104-R108 WeakPolarHBondContact O-CB 3.41Å; Y104-R108 PolarHBondContact O-N 3.21Å; E105-R108 PolarHBondContact O-N 3.16Å; E105-R108 IonicContact OE1-NH1 3.58Å; E105-R108 PolarHBondContact OE1-NH1 3.42Å; E105-R108 IonicContact OE2-NH1 3.31Å; R108-S110 VanDerWaalsContact C-N 3.27Å; R108-S110 PolarHBondContact O-N 2.74Å; R108-F118 HydrophobicContact CB-CZ 4.23Å |
| 109 | A | 93.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 42.3 Ų | 42.3 | 73% | 0.727 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.5 | -23.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E105 A107 | E105-A109 VanDerWaalsContact O-CB 3.23Å; E105-A109 WeakPolarHBondContact O-CB 3.21Å; E105-A109 PolarHBondContact O-N 3.41Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 3.02Å |
| 110 | S | 91.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -99.4 | -22.3 | -173.4 | -57.4 | 0 | 0 | 0 | 0 | 114 | Y79 R80 E106 A107 R108 | Y79-S110 VanDerWaalsContact CB-CB 3.43Å; Y79-S110 VanDerWaalsContact CD2-CB 3.45Å; R80-S110 WeakPolarHBondContact CA-O 3.28Å; E106-S110 VanDerWaalsContact O-CB 3.29Å; E106-S110 WeakPolarHBondContact O-CB 3.38Å; E106-S110 PolarHBondContact O-N 3.38Å; E106-S110 PolarHBondContact O-OG 2.78Å; A107-S110 PolarHBondContact O-N 3.41Å; A107-S110 VanDerWaalsContact O-N 3.12Å; R108-S110 VanDerWaalsContact C-N 3.27Å; R108-S110 PolarHBondContact O-N 2.74Å |
| 111 | I | 94.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | trans | -76.7 | 131.8 | 179.5 | -72.1 | 163.7 | 0 | 0 | 0 | 110.7 | Y79 C82 V85 A107 C113 P116 F118 | Y79-I111 WeakPolarHBondContact O-CG1 3.34Å; C82-I111 HydrophobicContact CB-CG1 4.5Å; C82-I111 VanDerWaalsContact O-CG2 3.28Å; C82-I111 WeakPolarHBondContact O-CG2 3.35Å; V85-I111 HydrophobicContact CG2-CD1 3.3Å; A107-I111 HydrophobicContact CB-CD1 4.34Å; A107-I111 WeakPolarHBondContact O-CB 3.34Å; A107-I111 WeakPolarHBondContact O-CD1 3.41Å; A107-I111 VanDerWaalsContact O-CG1 3.23Å; A107-I111 WeakPolarHBondContact O-CG1 3.45Å; A107-I111 PolarHBondContact O-N 3.07Å; I111-C113 HydrophobicContact CG2-CB 4.46Å; I111-C113 WeakPolarHBondContact CG2-SG 3.28Å; I111-P116 HydrophobicContact CD1-CB 4.14Å; I111-P116 HydrophobicContact CG2-CB 4.11Å; I111-P116 HydrophobicContact CG2-CG 4.4Å; I111-F118 HydrophobicContact CD1-CZ 4.35Å | ||
| 112 | K | 92.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 37.8 Ų | 37.8 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | trans | -75.4 | -32.7 | -177.4 | -170.2 | -176.9 | -179.7 | -164.9 | 0 | 113.6 | R80 L184 | R80-K112 HydrophobicContact CG-CB 4.35Å; R80-K112 WeakPolarHBondContact O-CB 3.45Å; R80-K112 PolarHBondContact O-N 3.29Å; K112-L184 HydrophobicContact CD-CD2 3.88Å; K112-L184 VanDerWaalsContact CE-CD2 3.47Å; K112-L184 HydrophobicContact CG-CD2 4.11Å | ||
| 113 | C | 92.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -74 | 147.6 | -178.2 | 70 | 0 | 0 | 0 | 0 | 111.7 | I111 A115 P116 Y181 L184 W190 | I111-C113 HydrophobicContact CG2-CB 4.46Å; I111-C113 WeakPolarHBondContact CG2-SG 3.28Å; C113-A115 VanDerWaalsContact C-N 3.34Å; C113-P116 WeakPolarHBondContact O-CD 3.25Å; C113-Y181 HydrophobicContact CB-CD1 4.05Å; C113-Y181 HydrophobicContact CB-CE1 4.07Å; C113-L184 HydrophobicContact CB-CD1 3.67Å; C113-W190 HydrophobicContact CB-CZ2 3.98Å |
| 114 | S | 91.4 | Very high | 95.7 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 78% | 0.776 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -77.7 | -18.3 | 179.4 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 115 | A | 95.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | trans | -126.4 | 57.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C113 N175 Y181 | C113-A115 VanDerWaalsContact C-N 3.34Å; A115-N175 PolarHBondContact O-ND2 3.26Å; A115-N175 VanDerWaalsContact O-ND2 3.16Å; A115-Y181 HydrophobicContact CB-CE1 4.21Å; A115-Y181 WeakPolarHBondContact O-CE1 3.47Å; A115-Y181 PolarHBondContact O-OH 3.13Å | ||
| 116 | P | 97.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | trans | -64.6 | 144.9 | 168.8 | 29.7 | -34.7 | 0 | 0 | 0 | 110.7 | V83 I111 C113 F118 | V83-P116 CarbonylContact O-C 3.52Å; V83-P116 WeakPolarHBondContact O-CA 3.41Å; I111-P116 HydrophobicContact CD1-CB 4.14Å; I111-P116 HydrophobicContact CG2-CB 4.11Å; I111-P116 HydrophobicContact CG2-CG 4.4Å; C113-P116 WeakPolarHBondContact O-CD 3.25Å; P116-F118 HydrophobicContact CB-CD2 4.32Å; P116-F118 HydrophobicContact CB-CE2 3.82Å; P116-F118 HydrophobicContact CG-CD2 4.29Å; P116-F118 HydrophobicContact CG-CE2 3.56Å; P116-F118 HydrophobicContact CG-CZ 4.38Å | ||
| 117 | V | 98.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.1 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | V83 G84 V85 L168 I172 N175 | V83-V117 PolarHBondContact O-N 2.91Å; G84-V117 CarbonylContact C-O 3.45Å; G84-V117 WeakPolarHBondContact CA-O 3.44Å; V85-V117 PolarHBondContact N-O 2.89Å; V117-L168 HydrophobicContact CB-CD1 4.31Å; V117-L168 HydrophobicContact CG1-CD1 3.96Å; V117-I172 HydrophobicContact CB-CG1 3.84Å; V117-I172 HydrophobicContact CG2-CB 4.41Å; V117-I172 HydrophobicContact CG2-CG1 3.73Å; V117-N175 WeakPolarHBondContact CG2-ND2 2.91Å |
| 118 | F | 98.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 144.2 | 175.9 | -70.9 | -98.4 | 0 | 0 | 0 | 110.6 | V85 V87 Y104 A107 R108 I111 P116 Y148 | V85-F118 HydrophobicContact CB-CD1 3.46Å; V85-F118 VanDerWaalsContact CB-CD1 3.46Å; V85-F118 HydrophobicContact CB-CE1 3.56Å; V85-F118 HydrophobicContact CB-CG 4.15Å; V85-F118 HydrophobicContact CB-CZ 4.33Å; V85-F118 HydrophobicContact CG1-CD1 3.71Å; V85-F118 HydrophobicContact CG1-CE1 3.63Å; V85-F118 HydrophobicContact CG2-CD1 4.02Å; V85-F118 HydrophobicContact CG2-CE1 3.66Å; V85-F118 HydrophobicContact CG2-CZ 3.96Å; V85-F118 WeakPolarHBondContact O-CA 3.23Å; V87-F118 HydrophobicContact CG2-CD1 4.04Å; Y104-F118 AromaticContact CD2-CD1 3.77Å; Y104-F118 HydrophobicContact CD2-CD1 3.77Å; Y104-F118 HydrophobicContact CD2-CD2 4.44Å; Y104-F118 AromaticContact CD2-CE1 3.63Å; Y104-F118 HydrophobicContact CD2-CE1 3.63Å; Y104-F118 HydrophobicContact CD2-CE2 4.29Å; Y104-F118 HydrophobicContact CD2-CG 4.19Å; Y104-F118 AromaticContact CD2-CZ 3.92Å; Y104-F118 HydrophobicContact CD2-CZ 3.92Å; Y104-F118 HydrophobicContact CE2-CD1 4.19Å; Y104-F118 HydrophobicContact CE2-CD2 4.04Å; Y104-F118 HydrophobicContact CE2-CE1 4.06Å; Y104-F118 AromaticContact CE2-CE2 3.86Å; Y104-F118 HydrophobicContact CE2-CE2 3.86Å; Y104-F118 HydrophobicContact CE2-CG 4.2Å; Y104-F118 AromaticContact CE2-CZ 3.89Å; Y104-F118 HydrophobicContact CE2-CZ 3.89Å; A107-F118 HydrophobicContact CB-CE1 3.92Å; A107-F118 HydrophobicContact CB-CZ 4.23Å; R108-F118 HydrophobicContact CB-CZ 4.23Å; I111-F118 HydrophobicContact CD1-CZ 4.35Å; P116-F118 HydrophobicContact CB-CD2 4.32Å; P116-F118 HydrophobicContact CB-CE2 3.82Å; P116-F118 HydrophobicContact CG-CD2 4.29Å; P116-F118 HydrophobicContact CG-CE2 3.56Å; P116-F118 HydrophobicContact CG-CZ 4.38Å; F118-Y148 HydrophobicContact CB-CD1 3.74Å; F118-Y148 HydrophobicContact CB-CD2 3.94Å; F118-Y148 HydrophobicContact CB-CE1 3.85Å; F118-Y148 HydrophobicContact CB-CE2 4.04Å; F118-Y148 HydrophobicContact CB-CG 3.8Å; F118-Y148 AromaticContact CD2-CE1 3.97Å; F118-Y148 HydrophobicContact CD2-CE1 3.97Å; F118-Y148 HydrophobicContact CD2-CE2 4.26Å; F118-Y148 AromaticContact CD2-CZ 3.71Å; F118-Y148 HydrophobicContact CG-CE1 4.33Å; F118-Y148 HydrophobicContact CG-CE2 4.27Å |
| 119 | I | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.6 | 163.5 | -64 | -172.6 | 0 | 0 | 0 | 108.5 | V85 V87 V121 I149 I151 T164 L167 L168 | V85-I119 PolarHBondContact O-N 2.88Å; V87-I119 PolarHBondContact N-O 2.92Å; I119-V121 HydrophobicContact CG2-CG2 3.89Å; I119-I149 HydrophobicContact CG1-CB 4.33Å; I119-I149 HydrophobicContact CG2-CG2 4.37Å; I119-I151 HydrophobicContact CG2-CG2 3.72Å; I119-T164 WeakPolarHBondContact CD1-O 3.28Å; I119-T164 HydrophobicContact CG2-CG2 4.35Å; I119-L167 HydrophobicContact CD1-CB 3.92Å; I119-L168 HydrophobicContact CD1-CB 3.74Å; I119-L168 HydrophobicContact CD1-CD1 4.05Å; I119-L168 HydrophobicContact CG1-CD1 3.87Å |
| 120 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.3 | 174.6 | -50.4 | -54.5 | 0 | 0 | 0 | 108.4 | V87 F89 V100 A142 L145 I149 Y150 I151 | V87-I120 HydrophobicContact CB-CD1 3.93Å; V87-I120 HydrophobicContact CG2-CD1 4.07Å; F89-I120 HydrophobicContact CD1-CG2 4.33Å; F89-I120 HydrophobicContact CE1-CG2 3.98Å; V100-I120 HydrophobicContact CG1-CD1 4.23Å; V100-I120 HydrophobicContact CG1-CG2 4.21Å; I120-A142 HydrophobicContact CB-CB 4.2Å; I120-A142 HydrophobicContact CG1-CB 3.81Å; I120-L145 HydrophobicContact CD1-CD1 4.29Å; I120-I149 PolarHBondContact N-O 2.85Å; I120-Y150 HydrophobicContact CB-CD2 4.32Å; I120-Y150 HydrophobicContact CG2-CD2 4.15Å; I120-Y150 WeakPolarHBondContact O-CA 3.46Å; I120-Y150 WeakPolarHBondContact O-CD2 3.45Å; I120-I151 PolarHBondContact O-N 2.85Å |
| 121 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 115 | -173.5 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L24 V86 V87 V88 F89 I119 I151 T153 T164 | L24-V121 HydrophobicContact CD2-CG1 4.47Å; V86-V121 HydrophobicContact CG1-CB 4.31Å; V86-V121 HydrophobicContact CG1-CG2 3.5Å; V86-V121 VanDerWaalsContact CG1-CG2 3.5Å; V87-V121 PolarHBondContact O-N 3.1Å; V88-V121 WeakPolarHBondContact CA-O 3.48Å; V88-V121 HydrophobicContact CG1-CG1 4.4Å; V88-V121 HydrophobicContact CG2-CB 4.32Å; F89-V121 VanDerWaalsContact CD1-O 3.26Å; F89-V121 WeakPolarHBondContact CD1-O 3.38Å; F89-V121 PolarHBondContact N-O 2.96Å; I119-V121 HydrophobicContact CG2-CG2 3.89Å; V121-I151 VanDerWaalsContact CA-O 3.32Å; V121-I151 WeakPolarHBondContact CA-O 3.37Å; V121-I151 HydrophobicContact CG2-CG2 3.93Å; V121-T153 HydrophobicContact CG1-CG2 3.8Å; V121-T153 WeakPolarHBondContact CG1-OG1 3.47Å; V121-T164 HydrophobicContact CG2-CG2 3.91Å |
| 122 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 107.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F89 I151 E152 T153 | F89-G122 VanDerWaalsContact CZ-CA 3.49Å; G122-I151 PolarHBondContact N-O 3.32Å; G122-I151 VanDerWaalsContact N-O 3.08Å; G122-E152 CarbonylContact O-C 3.5Å; G122-E152 VanDerWaalsContact O-CA 3.23Å; G122-E152 WeakPolarHBondContact O-CA 3.46Å; G122-T153 PolarHBondContact O-N 3.47Å |
| 123 | H | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 170 | -177.1 | -156.6 | 53.8 | 0 | 0 | 0 | 112.8 | V19 V88 F89 L91 A125 T153 S155 | V19-H123 PolarHBondContact O-CD2 2.79Å; V19-H123 VanDerWaalsContact O-CD2 3.31Å; V88-H123 HydrophobicContact CG1-CB 3.79Å; F89-H123 WeakPolarHBondContact O-CB 3.41Å; F89-H123 PolarHBondContact O-N 2.87Å; L91-H123 VanDerWaalsContact CB-O 3.27Å; L91-H123 WeakPolarHBondContact CB-O 3.47Å; L91-H123 WeakPolarHBondContact CD1-O 3.23Å; L91-H123 VanDerWaalsContact CG-O 3.25Å; L91-H123 WeakPolarHBondContact CG-O 3.38Å; L91-H123 PolarHBondContact N-O 3.17Å; H123-A125 VanDerWaalsContact C-N 3.35Å; H123-T153 CarbonylContact C-O 3.59Å; H123-T153 WeakPolarHBondContact CA-O 3.4Å; H123-T153 PolarHBondContact ND1-OG1 2.79Å; H123-S155 PolarHBondContact CE1-N 2.69Å; H123-S155 VanDerWaalsContact CE1-N 3.27Å; H123-S155 PolarHBondContact CE1-OG 3.04Å; H123-S155 PolarHBondContact NE2-OG 3.22Å |
| 124 | K | 97.9 | Very high | 97.7 | Very high | 40 Ų | 40 | 53 Ų | 53 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | trans | 62.6 | 35.7 | -179.2 | -46.2 | -169.7 | -164.4 | 168.5 | 0 | 113.7 | M18 D90 D126 R127 T153 | M18-K124 WeakPolarHBondContact O-CE 3.38Å; M18-K124 PolarHBondContact O-NZ 3.47Å; D90-K124 WeakPolarHBondContact OD1-CD 3.47Å; D90-K124 VanDerWaalsContact OD2-CD 3.28Å; D90-K124 WeakPolarHBondContact OD2-CD 3.07Å; D90-K124 WeakPolarHBondContact OD2-CE 3.42Å; D90-K124 IonicContact OD2-NZ 2.72Å; D90-K124 PolarHBondContact OD2-NZ 3.4Å; K124-D126 WeakPolarHBondContact CA-OD1 3.32Å; K124-D126 PolarHBondContact O-N 2.93Å; K124-R127 PolarHBondContact O-N 2.93Å; K124-T153 PolarHBondContact N-O 3.42Å; K124-T153 VanDerWaalsContact N-O 3.07Å | ||
| 125 | A | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L91 H123 R127 E152 T153 | L91-A125 HydrophobicContact CD1-CB 3.73Å; H123-A125 VanDerWaalsContact C-N 3.35Å; A125-R127 VanDerWaalsContact C-N 3.29Å; A125-E152 HydrophobicContact CB-CB 4.2Å; A125-T153 WeakPolarHBondContact CB-O 3.38Å; A125-T153 PolarHBondContact N-O 3.45Å |
| 126 | D | 97.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.5 | 170.8 | 53.2 | -74 | 0 | 0 | 0 | 113.1 | K124 R128 S154 L156 T157 | K124-D126 WeakPolarHBondContact CA-OD1 3.32Å; K124-D126 PolarHBondContact O-N 2.93Å; D126-R128 VanDerWaalsContact C-N 3.3Å; D126-R128 PolarHBondContact O-N 3.4Å; D126-S154 WeakPolarHBondContact CB-OG 3.33Å; D126-S154 VanDerWaalsContact CG-OG 3.26Å; D126-S154 VanDerWaalsContact OD1-CB 3.27Å; D126-S154 WeakPolarHBondContact OD1-CB 3.31Å; D126-S154 PolarHBondContact OD1-OG 3.4Å; D126-L156 HydrophobicContact CB-CD2 4.31Å; D126-L156 WeakPolarHBondContact OD2-CD2 3.42Å; D126-T157 HydrophobicContact CB-CG2 4Å |
| 127 | R | 97.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 60.3 Ų | 60.3 | 42% | 0.415 | 28% | 0.28 | S | S | . | . | trans | -87.5 | 60.6 | -177.9 | -61.1 | -170.6 | 176 | -164.1 | -0.3 | 112.8 | T92 K124 A125 D129 E130 R131 | T92-R127 HydrophobicContact CG2-CB 3.5Å; T92-R127 VanDerWaalsContact CG2-CB 3.5Å; T92-R127 HydrophobicContact CG2-CG 4.33Å; K124-R127 PolarHBondContact O-N 2.93Å; A125-R127 VanDerWaalsContact C-N 3.29Å; R127-D129 VanDerWaalsContact C-N 3.32Å; R127-D129 PolarHBondContact O-N 3.15Å; R127-E130 HydrophobicContact CB-CB 4.3Å; R127-E130 IonicContact NH1-OE2 3.41Å; R127-E130 PolarHBondContact NH1-OE2 3.04Å; R127-E130 PolarHBondContact O-N 3.29Å; R127-R131 PolarHBondContact O-N 3.29Å | ||
| 128 | R | 96.6 | Very high | 98.3 | Very high | 186 Ų | 186 | 59.3 Ų | 59.3 | 70% | 0.702 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -60.2 | -38.5 | -172.6 | -63.1 | -179.5 | -176.3 | 176.5 | 1.7 | 113.6 | D126 E130 R131 | D126-R128 VanDerWaalsContact C-N 3.3Å; D126-R128 PolarHBondContact O-N 3.4Å; R128-E130 VanDerWaalsContact C-N 3.25Å; R128-E130 PolarHBondContact O-N 2.81Å; R128-R131 WeakPolarHBondContact O-CB 3.3Å; R128-R131 PolarHBondContact O-N 3.28Å |
| 129 | D | 97.7 | Very high | 98.3 | Very high | 173 Ų | 173 | 63.1 Ų | 63.1 | 93% | 0.925 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -74.2 | -17.3 | -176.9 | -58.2 | -34.9 | 0 | 0 | 0 | 112.9 | R127 | R127-D129 VanDerWaalsContact C-N 3.32Å; R127-D129 PolarHBondContact O-N 3.15Å |
| 130 | E | 98.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -99.7 | 1.2 | 178.2 | -65.4 | 168.9 | -131.6 | 0 | 0 | 112.3 | T92 R127 R128 Q132 | T92-E130 WeakPolarHBondContact CA-O 3.45Å; T92-E130 HydrophobicContact CG2-CB 3.6Å; R127-E130 HydrophobicContact CB-CB 4.3Å; R127-E130 IonicContact NH1-OE2 3.41Å; R127-E130 PolarHBondContact NH1-OE2 3.04Å; R127-E130 PolarHBondContact O-N 3.29Å; R128-E130 VanDerWaalsContact C-N 3.25Å; R128-E130 PolarHBondContact O-N 2.81Å; E130-Q132 PolarHBondContact O-N 3.44Å |
| 131 | R | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | trans | -60.1 | 129 | -174.7 | 176 | -177 | -76.7 | -108.2 | 7.6 | 111.7 | L91 R127 R128 V133 E152 | L91-R131 WeakPolarHBondContact O-CA 3.42Å; R127-R131 PolarHBondContact O-N 3.29Å; R128-R131 WeakPolarHBondContact O-CB 3.3Å; R128-R131 PolarHBondContact O-N 3.28Å; R131-V133 VanDerWaalsContact CD-O 3.27Å; R131-V133 WeakPolarHBondContact CD-O 3.32Å; R131-V133 VanDerWaalsContact CG-O 3.24Å; R131-V133 WeakPolarHBondContact CG-O 3.31Å; R131-V133 PolarHBondContact NH1-O 2.94Å; R131-E152 IonicContact CZ-OE1 2.81Å; R131-E152 IonicContact CZ-OE2 2.75Å; R131-E152 IonicContact NH1-OE1 2.77Å; R131-E152 PolarHBondContact NH1-OE1 2.8Å; R131-E152 IonicContact NH1-OE2 3.81Å; R131-E152 IonicContact NH2-OE1 3.21Å; R131-E152 PolarHBondContact NH2-OE1 3.27Å; R131-E152 IonicContact NH2-OE2 3.47Å; R131-E152 PolarHBondContact NH2-OE2 2.72Å | ||
| 132 | Q | 98.7 | Very high | 98.3 | Very high | 111 Ų | 111 | 65.5 Ų | 65.5 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | trans | -113.6 | -13.3 | 175.3 | -58.2 | -171.6 | 8.4 | 0 | 0 | 113.9 | L91 T92 R94 E130 | L91-Q132 PolarHBondContact O-N 3.41Å; T92-Q132 WeakPolarHBondContact O-CG 3.28Å; T92-Q132 PolarHBondContact O-NE2 3.31Å; R94-Q132 HydrophobicContact CB-CB 4.09Å; E130-Q132 PolarHBondContact O-N 3.44Å | ||
| 133 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -120.6 | 124.6 | -179.4 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | F89 L91 F97 R131 E137 A138 | F89-V133 HydrophobicContact CE2-CB 4.08Å; F89-V133 HydrophobicContact CE2-CG1 3.91Å; F89-V133 HydrophobicContact CE2-CG2 4.25Å; F89-V133 HydrophobicContact CZ-CG1 4.25Å; L91-V133 HydrophobicContact CD2-CB 4.47Å; L91-V133 PolarHBondContact O-N 2.54Å; F97-V133 HydrophobicContact CB-CG1 4.5Å; F97-V133 HydrophobicContact CB-CG2 3.62Å; F97-V133 HydrophobicContact CD1-CG1 4.2Å; F97-V133 HydrophobicContact CD1-CG2 4.13Å; F97-V133 HydrophobicContact CD2-CG1 3.81Å; F97-V133 HydrophobicContact CD2-CG2 4.46Å; F97-V133 HydrophobicContact CE1-CG1 4.37Å; F97-V133 HydrophobicContact CE2-CG1 4.01Å; F97-V133 HydrophobicContact CG-CG1 3.9Å; F97-V133 HydrophobicContact CG-CG2 3.82Å; F97-V133 HydrophobicContact CZ-CG1 4.27Å; R131-V133 VanDerWaalsContact CD-O 3.27Å; R131-V133 WeakPolarHBondContact CD-O 3.32Å; R131-V133 VanDerWaalsContact CG-O 3.24Å; R131-V133 WeakPolarHBondContact CG-O 3.31Å; R131-V133 PolarHBondContact NH1-O 2.94Å; V133-E137 HydrophobicContact CG1-CB 4.4Å; V133-A138 HydrophobicContact CG1-CB 4.29Å |
| 134 | T | 98.3 | Very high | 98.2 | Very high | 66 Ų | 66 | 80 Ų | 80 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | trans | -79.8 | 153.6 | 177.5 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | I136 E137 A138 | T134-I136 PolarHBondContact O-N 3.35Å; T134-E137 WeakPolarHBondContact CB-OE2 3.21Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.27Å; T134-E137 PolarHBondContact N-OE2 2.81Å; T134-E137 PolarHBondContact O-N 3.09Å; T134-E137 VanDerWaalsContact OG1-CG 3.26Å; T134-E137 WeakPolarHBondContact OG1-CG 3.47Å; T134-E137 PolarHBondContact OG1-N 2.62Å; T134-E137 PolarHBondContact OG1-OE2 2.81Å; T134-A138 PolarHBondContact O-N 2.85Å | ||
| 135 | K | 98.2 | Very high | 98.2 | Very high | 117 Ų | 117 | 79.2 Ų | 79.2 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.8 | -38.9 | 173.4 | 174.9 | 165.7 | 177.2 | 179.6 | 0 | 112.2 | A138 E139 Y150 | K135-A138 PolarHBondContact O-N 2.87Å; K135-E139 WeakPolarHBondContact CE-OE1 3.49Å; K135-E139 HydrophobicContact CG-CG 4.2Å; K135-E139 IonicContact NZ-OE1 3.72Å; K135-E139 WeakPolarHBondContact O-CB 3.34Å; K135-E139 VanDerWaalsContact O-CG 3.26Å; K135-E139 WeakPolarHBondContact O-CG 3.46Å; K135-E139 PolarHBondContact O-N 2.66Å; K135-Y150 HydrophobicContact CG-CE1 4.08Å |
| 136 | I | 98.5 | Very high | 98.2 | Very high | 131 Ų | 131 | 81 Ų | 81 | 67% | 0.672 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 179.8 | -63.2 | 172.3 | 0 | 0 | 0 | 111.3 | T134 A138 A140 | T134-I136 PolarHBondContact O-N 3.35Å; I136-A138 VanDerWaalsContact C-N 3.33Å; I136-A138 PolarHBondContact O-N 3.5Å; I136-A140 VanDerWaalsContact O-CB 3.26Å; I136-A140 WeakPolarHBondContact O-CB 3.32Å; I136-A140 PolarHBondContact O-N 3.24Å |
| 137 | E | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 84.6 Ų | 84.6 | 29% | 0.29 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 177.7 | -73.1 | 165.9 | 119.2 | 0 | 0 | 111.6 | R94 F97 V133 T134 A140 L141 | R94-E137 IonicContact CZ-OE1 3.55Å; R94-E137 IonicContact NH1-OE1 2.73Å; R94-E137 PolarHBondContact NH1-OE1 2.75Å; R94-E137 IonicContact NH1-OE2 3.93Å; R94-E137 IonicContact NH2-OE1 3.58Å; F97-E137 HydrophobicContact CE1-CB 4.48Å; F97-E137 HydrophobicContact CZ-CB 4.2Å; V133-E137 HydrophobicContact CG1-CB 4.4Å; T134-E137 WeakPolarHBondContact CB-OE2 3.21Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.27Å; T134-E137 PolarHBondContact N-OE2 2.81Å; T134-E137 PolarHBondContact O-N 3.09Å; T134-E137 VanDerWaalsContact OG1-CG 3.26Å; T134-E137 WeakPolarHBondContact OG1-CG 3.47Å; T134-E137 PolarHBondContact OG1-N 2.62Å; T134-E137 PolarHBondContact OG1-OE2 2.81Å; E137-A140 PolarHBondContact O-N 3.04Å; E137-L141 PolarHBondContact O-N 3.1Å |
| 138 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.9 | -39.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F89 F97 V133 T134 K135 I136 L141 A142 Y150 | F89-A138 HydrophobicContact CE1-CB 4.47Å; F89-A138 HydrophobicContact CZ-CB 3.92Å; F97-A138 HydrophobicContact CE2-CB 4.07Å; V133-A138 HydrophobicContact CG1-CB 4.29Å; T134-A138 PolarHBondContact O-N 2.85Å; K135-A138 PolarHBondContact O-N 2.87Å; I136-A138 VanDerWaalsContact C-N 3.33Å; I136-A138 PolarHBondContact O-N 3.5Å; A138-L141 PolarHBondContact O-N 2.86Å; A138-A142 WeakPolarHBondContact O-CB 3.25Å; A138-A142 PolarHBondContact O-N 3.32Å; A138-Y150 HydrophobicContact CB-CD1 4.14Å; A138-Y150 HydrophobicContact CB-CD2 3.83Å; A138-Y150 HydrophobicContact CB-CE1 3.7Å; A138-Y150 HydrophobicContact CB-CE2 3.37Å; A138-Y150 HydrophobicContact CB-CG 4.17Å |
| 139 | E | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 76.7 Ų | 76.7 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 171.3 | -73.5 | 174 | 156.9 | 0 | 0 | 111.2 | K135 L141 A142 Q143 Y150 | K135-E139 WeakPolarHBondContact CE-OE1 3.49Å; K135-E139 HydrophobicContact CG-CG 4.2Å; K135-E139 IonicContact NZ-OE1 3.72Å; K135-E139 WeakPolarHBondContact O-CB 3.34Å; K135-E139 VanDerWaalsContact O-CG 3.26Å; K135-E139 WeakPolarHBondContact O-CG 3.46Å; K135-E139 PolarHBondContact O-N 2.66Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 3.35Å; E139-A142 PolarHBondContact O-N 3.16Å; E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.99Å; E139-Y150 HydrophobicContact CG-CD1 3.67Å; E139-Y150 HydrophobicContact CG-CE1 4.43Å; E139-Y150 HydrophobicContact CG-CG 4.4Å |
| 140 | A | 98.6 | Very high | 98.3 | Very high | 41 Ų | 41 | 69.9 Ų | 69.9 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I136 E137 R144 | I136-A140 VanDerWaalsContact O-CB 3.26Å; I136-A140 WeakPolarHBondContact O-CB 3.32Å; I136-A140 PolarHBondContact O-N 3.24Å; E137-A140 PolarHBondContact O-N 3.04Å; A140-R144 WeakPolarHBondContact O-CB 3.27Å; A140-R144 PolarHBondContact O-N 2.96Å; A140-R144 VanDerWaalsContact O-N 3.15Å |
| 141 | L | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.5 | -50.2 | 172.8 | -178.6 | 66.1 | 0 | 0 | 0 | 111.1 | F97 V100 E137 A138 E139 Q143 R144 L145 | F97-L141 HydrophobicContact CD2-CD2 4.05Å; F97-L141 HydrophobicContact CE2-CB 4.03Å; F97-L141 HydrophobicContact CE2-CD2 3.39Å; F97-L141 HydrophobicContact CE2-CG 4.35Å; F97-L141 HydrophobicContact CZ-CB 3.92Å; F97-L141 HydrophobicContact CZ-CD2 3.72Å; F97-L141 HydrophobicContact CZ-CG 4.41Å; V100-L141 HydrophobicContact CB-CD2 3.78Å; V100-L141 HydrophobicContact CG1-CD2 3.65Å; E137-L141 PolarHBondContact O-N 3.1Å; A138-L141 PolarHBondContact O-N 2.86Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 3.35Å; L141-Q143 VanDerWaalsContact C-N 3.25Å; L141-Q143 PolarHBondContact O-N 2.85Å; L141-R144 WeakPolarHBondContact O-CB 3.44Å; L141-R144 PolarHBondContact O-N 3.15Å; L141-L145 HydrophobicContact CD1-CD1 4.23Å; L141-L145 HydrophobicContact CD1-CD2 4.37Å; L141-L145 HydrophobicContact CD1-CG 4.16Å; L141-L145 HydrophobicContact CG-CD1 4.06Å; L141-L145 HydrophobicContact CG-CG 4.34Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 2.98Å |
| 142 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I120 A138 E139 G146 D147 Y148 | I120-A142 HydrophobicContact CB-CB 4.2Å; I120-A142 HydrophobicContact CG1-CB 3.81Å; A138-A142 WeakPolarHBondContact O-CB 3.25Å; A138-A142 PolarHBondContact O-N 3.32Å; E139-A142 PolarHBondContact O-N 3.16Å; A142-G146 PolarHBondContact O-N 3.34Å; A142-D147 PolarHBondContact O-N 3.26Å; A142-Y148 WeakPolarHBondContact CB-O 3.39Å; A142-Y148 PolarHBondContact O-N 3.46Å; A142-Y148 VanDerWaalsContact O-N 3.12Å |
| 143 | Q | 98.3 | Very high | 98.3 | Very high | 132 Ų | 132 | 57.9 Ų | 57.9 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 173.1 | -170.3 | 173.8 | 36.5 | 0 | 0 | 112 | E139 L141 L145 G146 D147 | E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.99Å; L141-Q143 VanDerWaalsContact C-N 3.25Å; L141-Q143 PolarHBondContact O-N 2.85Å; Q143-L145 VanDerWaalsContact C-N 3.35Å; Q143-L145 PolarHBondContact O-N 3Å; Q143-G146 PolarHBondContact O-N 3.31Å; Q143-D147 PolarHBondContact O-N 3.37Å |
| 144 | R | 98.2 | Very high | 98.3 | Very high | 176 Ų | 176 | 57.9 Ų | 57.9 | 66% | 0.664 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.7 | -35.2 | -178.2 | -165.3 | -166.5 | -38.1 | 141 | 13.2 | 113.4 | A140 L141 | A140-R144 WeakPolarHBondContact O-CB 3.27Å; A140-R144 PolarHBondContact O-N 2.96Å; A140-R144 VanDerWaalsContact O-N 3.15Å; L141-R144 WeakPolarHBondContact O-CB 3.44Å; L141-R144 PolarHBondContact O-N 3.15Å |
| 145 | L | 97.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.2 | -30.3 | -177.6 | -64.8 | 179.7 | 0 | 0 | 0 | 112.6 | V100 A101 Y104 I120 L141 Q143 Y148 | V100-L145 HydrophobicContact CG1-CD1 4.16Å; A101-L145 HydrophobicContact CB-CD2 4.23Å; Y104-L145 HydrophobicContact CD1-CB 4.17Å; Y104-L145 HydrophobicContact CD1-CD1 4.25Å; Y104-L145 HydrophobicContact CD1-CD2 3.67Å; Y104-L145 HydrophobicContact CD1-CG 4.23Å; Y104-L145 HydrophobicContact CE1-CB 4.07Å; Y104-L145 HydrophobicContact CE1-CD2 4.05Å; Y104-L145 HydrophobicContact CG-CB 4.41Å; Y104-L145 HydrophobicContact CG-CD1 4.06Å; Y104-L145 HydrophobicContact CG-CD2 4.32Å; Y104-L145 HydrophobicContact CG-CG 4.49Å; Y104-L145 PolarHBondContact OH-O 2.89Å; I120-L145 HydrophobicContact CD1-CD1 4.29Å; L141-L145 HydrophobicContact CD1-CD1 4.23Å; L141-L145 HydrophobicContact CD1-CD2 4.37Å; L141-L145 HydrophobicContact CD1-CG 4.16Å; L141-L145 HydrophobicContact CG-CD1 4.06Å; L141-L145 HydrophobicContact CG-CG 4.34Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 2.98Å; Q143-L145 VanDerWaalsContact C-N 3.35Å; Q143-L145 PolarHBondContact O-N 3Å; L145-Y148 HydrophobicContact CB-CD2 4Å; L145-Y148 HydrophobicContact CB-CE2 4.01Å |
| 146 | G | 96.8 | Very high | 98 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | 167.3 | 27.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | A142 Q143 Y148 | A142-G146 PolarHBondContact O-N 3.34Å; Q143-G146 PolarHBondContact O-N 3.31Å; G146-Y148 VanDerWaalsContact C-N 3.31Å; G146-Y148 PolarHBondContact O-N 2.85Å |
| 147 | D | 97 | Very high | 97.9 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 67% | 0.668 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 57.6 | 41.5 | -173.8 | -154.4 | 38.1 | 0 | 0 | 0 | 113.4 | A142 Q143 | A142-D147 PolarHBondContact O-N 3.26Å; Q143-D147 PolarHBondContact O-N 3.37Å |
| 148 | Y | 98.2 | Very high | 97.7 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 155.3 | -177.9 | -59.5 | -53.9 | 0 | 0 | 0 | 112.6 | Y104 F118 A142 L145 G146 Y150 | Y104-Y148 HydrophobicContact CD2-CE2 4.08Å; Y104-Y148 HydrophobicContact CE2-CD2 4.44Å; Y104-Y148 AromaticContact CE2-CE2 3.38Å; Y104-Y148 HydrophobicContact CE2-CE2 3.38Å; Y104-Y148 AromaticContact CE2-CZ 3.83Å; Y104-Y148 AromaticContact CZ-CE2 3.82Å; Y104-Y148 PolarHBondContact OH-OH 2.9Å; F118-Y148 HydrophobicContact CB-CD1 3.74Å; F118-Y148 HydrophobicContact CB-CD2 3.94Å; F118-Y148 HydrophobicContact CB-CE1 3.85Å; F118-Y148 HydrophobicContact CB-CE2 4.04Å; F118-Y148 HydrophobicContact CB-CG 3.8Å; F118-Y148 AromaticContact CD2-CE1 3.97Å; F118-Y148 HydrophobicContact CD2-CE1 3.97Å; F118-Y148 HydrophobicContact CD2-CE2 4.26Å; F118-Y148 AromaticContact CD2-CZ 3.71Å; F118-Y148 HydrophobicContact CG-CE1 4.33Å; F118-Y148 HydrophobicContact CG-CE2 4.27Å; A142-Y148 WeakPolarHBondContact CB-O 3.39Å; A142-Y148 PolarHBondContact O-N 3.46Å; A142-Y148 VanDerWaalsContact O-N 3.12Å; L145-Y148 HydrophobicContact CB-CD2 4Å; L145-Y148 HydrophobicContact CB-CE2 4.01Å; G146-Y148 VanDerWaalsContact C-N 3.31Å; G146-Y148 PolarHBondContact O-N 2.85Å; Y148-Y150 PolarHBondContact O-N 2.84Å |
| 149 | I | 98.3 | Very high | 97.7 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 38% | 0.379 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 128 | 171.6 | -65.2 | 170.1 | 0 | 0 | 0 | 108.8 | I119 I120 L167 | I119-I149 HydrophobicContact CG1-CB 4.33Å; I119-I149 HydrophobicContact CG2-CG2 4.37Å; I120-I149 PolarHBondContact N-O 2.85Å; I149-L167 HydrophobicContact CD1-CB 4.18Å; I149-L167 HydrophobicContact CD1-CD1 4.41Å; I149-L167 HydrophobicContact CD1-CD2 4.36Å; I149-L167 HydrophobicContact CG2-CD1 4.21Å |
| 150 | Y | 98.7 | Very high | 97.6 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.7 | 163.3 | 171.5 | -114 | 0 | 0 | 0 | 110.1 | F89 I120 K135 A138 E139 Y148 E152 | F89-Y150 AromaticContact CE1-CE2 3.86Å; F89-Y150 HydrophobicContact CE1-CE2 3.86Å; F89-Y150 AromaticContact CZ-CE2 3.81Å; F89-Y150 HydrophobicContact CZ-CE2 3.81Å; I120-Y150 HydrophobicContact CB-CD2 4.32Å; I120-Y150 HydrophobicContact CG2-CD2 4.15Å; I120-Y150 WeakPolarHBondContact O-CA 3.46Å; I120-Y150 WeakPolarHBondContact O-CD2 3.45Å; K135-Y150 HydrophobicContact CG-CE1 4.08Å; A138-Y150 HydrophobicContact CB-CD1 4.14Å; A138-Y150 HydrophobicContact CB-CD2 3.83Å; A138-Y150 HydrophobicContact CB-CE1 3.7Å; A138-Y150 HydrophobicContact CB-CE2 3.37Å; A138-Y150 HydrophobicContact CB-CG 4.17Å; E139-Y150 HydrophobicContact CG-CD1 3.67Å; E139-Y150 HydrophobicContact CG-CE1 4.43Å; E139-Y150 HydrophobicContact CG-CG 4.4Å; Y148-Y150 PolarHBondContact O-N 2.84Å; Y150-E152 HydrophobicContact CE1-CG 3.77Å; Y150-E152 HydrophobicContact CE2-CG 4.36Å; Y150-E152 VanDerWaalsContact CZ-CG 3.47Å; Y150-E152 WeakPolarHBondContact OH-CG 3.4Å; Y150-E152 PolarHBondContact OH-OE1 2.93Å |
| 151 | I | 98.8 | Very high | 97.6 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 135.3 | 176.8 | -168.1 | 165.3 | 0 | 0 | 0 | 111.5 | I119 I120 V121 G122 T153 N160 K163 T164 L167 | I119-I151 HydrophobicContact CG2-CG2 3.72Å; I120-I151 PolarHBondContact O-N 2.85Å; V121-I151 VanDerWaalsContact CA-O 3.32Å; V121-I151 WeakPolarHBondContact CA-O 3.37Å; V121-I151 HydrophobicContact CG2-CG2 3.93Å; G122-I151 PolarHBondContact N-O 3.32Å; G122-I151 VanDerWaalsContact N-O 3.08Å; I151-T153 HydrophobicContact CG2-CG2 4.42Å; I151-N160 HydrophobicContact CD1-CB 3.71Å; I151-N160 HydrophobicContact CG1-CB 3.85Å; I151-K163 HydrophobicContact CD1-CB 4.32Å; I151-K163 HydrophobicContact CD1-CG 4.18Å; I151-T164 HydrophobicContact CG2-CG2 4.28Å; I151-T164 VanDerWaalsContact CG2-OG1 3.31Å; I151-T164 WeakPolarHBondContact CG2-OG1 3.4Å; I151-L167 HydrophobicContact CD1-CD1 4.29Å |
| 152 | E | 98.8 | Very high | 97.4 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.3 | 175.1 | -68.5 | -174.9 | 175 | 0 | 0 | 110.6 | L91 G122 A125 R131 Y150 N160 | L91-E152 HydrophobicContact CD1-CB 4.35Å; L91-E152 HydrophobicContact CD1-CG 4.11Å; G122-E152 CarbonylContact O-C 3.5Å; G122-E152 VanDerWaalsContact O-CA 3.23Å; G122-E152 WeakPolarHBondContact O-CA 3.46Å; A125-E152 HydrophobicContact CB-CB 4.2Å; R131-E152 IonicContact CZ-OE1 2.81Å; R131-E152 IonicContact CZ-OE2 2.75Å; R131-E152 IonicContact NH1-OE1 2.77Å; R131-E152 PolarHBondContact NH1-OE1 2.8Å; R131-E152 IonicContact NH1-OE2 3.81Å; R131-E152 IonicContact NH2-OE1 3.21Å; R131-E152 PolarHBondContact NH2-OE1 3.27Å; R131-E152 IonicContact NH2-OE2 3.47Å; R131-E152 PolarHBondContact NH2-OE2 2.72Å; Y150-E152 HydrophobicContact CE1-CG 3.77Å; Y150-E152 HydrophobicContact CE2-CG 4.36Å; Y150-E152 VanDerWaalsContact CZ-CG 3.47Å; Y150-E152 WeakPolarHBondContact OH-CG 3.4Å; Y150-E152 PolarHBondContact OH-OE1 2.93Å; E152-N160 VanDerWaalsContact O-CB 3.32Å; E152-N160 WeakPolarHBondContact O-CB 3.31Å; E152-N160 PolarHBondContact O-ND2 2.99Å |
| 153 | T | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -128.3 | 156 | -175.2 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | L24 V121 G122 H123 K124 A125 I151 Q159 N160 T164 | L24-T153 HydrophobicContact CD1-CG2 4.2Å; V121-T153 HydrophobicContact CG1-CG2 3.8Å; V121-T153 WeakPolarHBondContact CG1-OG1 3.47Å; G122-T153 PolarHBondContact O-N 3.47Å; H123-T153 CarbonylContact C-O 3.59Å; H123-T153 WeakPolarHBondContact CA-O 3.4Å; H123-T153 PolarHBondContact ND1-OG1 2.79Å; K124-T153 PolarHBondContact N-O 3.42Å; K124-T153 VanDerWaalsContact N-O 3.07Å; A125-T153 WeakPolarHBondContact CB-O 3.38Å; A125-T153 PolarHBondContact N-O 3.45Å; I151-T153 HydrophobicContact CG2-CG2 4.42Å; T153-Q159 VanDerWaalsContact CA-O 3.3Å; T153-Q159 WeakPolarHBondContact CA-O 3.38Å; T153-N160 HydrophobicContact CG2-CB 3.94Å; T153-T164 VanDerWaalsContact CG2-OG1 3.28Å; T153-T164 WeakPolarHBondContact CG2-OG1 3.11Å | ||
| 154 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -141.4 | 121.5 | 168.2 | 169.6 | 0 | 0 | 0 | 0 | 109 | D126 L156 T157 N158 Q159 | D126-S154 WeakPolarHBondContact CB-OG 3.33Å; D126-S154 VanDerWaalsContact CG-OG 3.26Å; D126-S154 VanDerWaalsContact OD1-CB 3.27Å; D126-S154 WeakPolarHBondContact OD1-CB 3.31Å; D126-S154 PolarHBondContact OD1-OG 3.4Å; S154-L156 PolarHBondContact O-N 3.43Å; S154-L156 PolarHBondContact OG-N 3.04Å; S154-T157 VanDerWaalsContact CB-OG1 3.25Å; S154-T157 WeakPolarHBondContact CB-OG1 3.25Å; S154-T157 PolarHBondContact OG-N 3.29Å; S154-T157 PolarHBondContact OG-OG1 3.36Å; S154-N158 CarbonylContact O-C 3.44Å; S154-N158 VanDerWaalsContact O-CA 3.27Å; S154-N158 WeakPolarHBondContact O-CA 3.25Å; S154-N158 PolarHBondContact O-N 3.25Å; S154-Q159 PolarHBondContact N-O 3.36Å; S154-Q159 VanDerWaalsContact N-O 3.13Å; S154-Q159 PolarHBondContact O-N 2.95Å |
| 155 | S | 96 | Very high | 97.3 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.8 | 173.1 | -61 | 0 | 0 | 0 | 0 | 110.5 | S23 L24 S27 F33 H123 N158 | S23-S155 VanDerWaalsContact C-OG 3.26Å; S23-S155 PolarHBondContact O-OG 3.26Å; L24-S155 WeakPolarHBondContact CA-OG 3.39Å; L24-S155 PolarHBondContact N-OG 3.14Å; S27-S155 WeakPolarHBondContact OG-CB 3.32Å; F33-S155 WeakPolarHBondContact CB-O 3.4Å; F33-S155 VanDerWaalsContact CD2-O 3.25Å; F33-S155 WeakPolarHBondContact CD2-O 3.43Å; H123-S155 PolarHBondContact CE1-N 2.69Å; H123-S155 VanDerWaalsContact CE1-N 3.27Å; H123-S155 PolarHBondContact CE1-OG 3.04Å; H123-S155 PolarHBondContact NE2-OG 3.22Å; S155-N158 PolarHBondContact O-N 2.72Å |
| 156 | L | 94.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 45.3 Ų | 45.3 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -43.7 | -177.4 | -178.8 | 63.9 | 0 | 0 | 0 | 112.4 | F33 D126 S154 | F33-L156 HydrophobicContact CD1-CD1 4.13Å; F33-L156 HydrophobicContact CE1-CD1 4.15Å; D126-L156 HydrophobicContact CB-CD2 4.31Å; D126-L156 WeakPolarHBondContact OD2-CD2 3.42Å; S154-L156 PolarHBondContact O-N 3.43Å; S154-L156 PolarHBondContact OG-N 3.04Å |
| 157 | T | 95.3 | Very high | 97.3 | Very high | 81 Ų | 81 | 45 Ų | 45 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.7 | -179.6 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | D126 S154 Q159 | D126-T157 HydrophobicContact CB-CG2 4Å; S154-T157 VanDerWaalsContact CB-OG1 3.25Å; S154-T157 WeakPolarHBondContact CB-OG1 3.25Å; S154-T157 PolarHBondContact OG-N 3.29Å; S154-T157 PolarHBondContact OG-OG1 3.36Å; T157-Q159 PolarHBondContact O-N 3.39Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.23Å |
| 158 | N | 95.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 22.8 | -170.7 | -158.2 | 30.5 | 0 | 0 | 0 | 113.8 | S154 S155 N160 I161 | S154-N158 CarbonylContact O-C 3.44Å; S154-N158 VanDerWaalsContact O-CA 3.27Å; S154-N158 WeakPolarHBondContact O-CA 3.25Å; S154-N158 PolarHBondContact O-N 3.25Å; S155-N158 PolarHBondContact O-N 2.72Å; N158-N160 PolarHBondContact O-N 3.38Å; N158-I161 WeakPolarHBondContact OD1-CB 3.39Å; N158-I161 WeakPolarHBondContact OD1-CG1 3.35Å |
| 159 | Q | 97.6 | Very high | 97.3 | Very high | 63 Ų | 63 | 36.4 Ų | 36.4 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -67.2 | 125.4 | -178.9 | 177.5 | -177.7 | -26.4 | 0 | 0 | 110.4 | T153 S154 T157 I161 | T153-Q159 VanDerWaalsContact CA-O 3.3Å; T153-Q159 WeakPolarHBondContact CA-O 3.38Å; S154-Q159 PolarHBondContact N-O 3.36Å; S154-Q159 VanDerWaalsContact N-O 3.13Å; S154-Q159 PolarHBondContact O-N 2.95Å; T157-Q159 PolarHBondContact O-N 3.39Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.23Å; Q159-I161 PolarHBondContact O-N 2.86Å |
| 160 | N | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 34% | 0.342 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 8.9 | 172.7 | -69 | -27.6 | 0 | 0 | 0 | 116 | I151 E152 T153 N158 K163 T164 | I151-N160 HydrophobicContact CD1-CB 3.71Å; I151-N160 HydrophobicContact CG1-CB 3.85Å; E152-N160 VanDerWaalsContact O-CB 3.32Å; E152-N160 WeakPolarHBondContact O-CB 3.31Å; E152-N160 PolarHBondContact O-ND2 2.99Å; T153-N160 HydrophobicContact CG2-CB 3.94Å; N158-N160 PolarHBondContact O-N 3.38Å; N160-K163 PolarHBondContact O-N 2.98Å; N160-T164 PolarHBondContact O-N 2.78Å; N160-T164 PolarHBondContact O-OG1 3Å |
| 161 | I | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -58.5 | -178 | -57.8 | -63.6 | 0 | 0 | 0 | 110.8 | L24 F28 N158 Q159 K163 T164 F165 | L24-I161 HydrophobicContact CD1-CD1 3.42Å; L24-I161 VanDerWaalsContact CD1-CD1 3.42Å; F28-I161 HydrophobicContact CB-CG2 3.66Å; N158-I161 WeakPolarHBondContact OD1-CB 3.39Å; N158-I161 WeakPolarHBondContact OD1-CG1 3.35Å; Q159-I161 PolarHBondContact O-N 2.86Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.31Å; I161-T164 PolarHBondContact O-N 3.27Å; I161-F165 VanDerWaalsContact O-CD2 3.27Å; I161-F165 WeakPolarHBondContact O-CD2 3.44Å |
| 162 | E | 95.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.4 | -47.7 | 176.5 | -67.9 | -70.6 | -174.7 | 0 | 0 | 111.5 | F28 R48 T164 F165 E166 | F28-E162 VanDerWaalsContact CE2-OE2 3.3Å; F28-E162 WeakPolarHBondContact CE2-OE2 3.05Å; R48-E162 IonicContact CZ-OE1 2.79Å; R48-E162 IonicContact CZ-OE2 3.75Å; R48-E162 IonicContact NH1-OE1 3.16Å; R48-E162 PolarHBondContact NH1-OE1 3.12Å; R48-E162 IonicContact NH1-OE2 3.91Å; R48-E162 PolarHBondContact NH1-OE2 3.46Å; R48-E162 IonicContact NH2-OE1 2.83Å; R48-E162 PolarHBondContact NH2-OE1 3.3Å; R48-E162 IonicContact NH2-OE2 3.84Å; R48-E162 PolarHBondContact NH2-OE2 2.77Å; E162-T164 VanDerWaalsContact C-N 3.28Å; E162-T164 PolarHBondContact O-N 2.83Å; E162-F165 PolarHBondContact O-N 2.63Å; E162-F165 VanDerWaalsContact O-N 3.1Å; E162-E166 WeakPolarHBondContact O-CG 3.43Å; E162-E166 PolarHBondContact O-N 3.25Å |
| 163 | K | 96.7 | Very high | 97.1 | Very high | 81 Ų | 81 | 35.2 Ų | 35.2 | 35% | 0.352 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -36.1 | -174.1 | -171.4 | 54.2 | 176.8 | 167 | 0 | 112.6 | I151 N160 I161 L167 | I151-K163 HydrophobicContact CD1-CB 4.32Å; I151-K163 HydrophobicContact CD1-CG 4.18Å; N160-K163 PolarHBondContact O-N 2.98Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.31Å; K163-L167 HydrophobicContact CD-CD1 4.17Å; K163-L167 HydrophobicContact CD-CG 3.98Å; K163-L167 HydrophobicContact CG-CD1 3.91Å; K163-L167 HydrophobicContact CG-CG 4.24Å; K163-L167 WeakPolarHBondContact O-CB 3.35Å; K163-L167 VanDerWaalsContact O-CG 3.23Å; K163-L167 WeakPolarHBondContact O-CG 3.42Å; K163-L167 PolarHBondContact O-N 2.95Å |
| 164 | T | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 175.1 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | V86 I119 V121 I151 T153 N160 I161 E162 L168 | V86-T164 HydrophobicContact CG1-CG2 4.44Å; I119-T164 WeakPolarHBondContact CD1-O 3.28Å; I119-T164 HydrophobicContact CG2-CG2 4.35Å; V121-T164 HydrophobicContact CG2-CG2 3.91Å; I151-T164 HydrophobicContact CG2-CG2 4.28Å; I151-T164 VanDerWaalsContact CG2-OG1 3.31Å; I151-T164 WeakPolarHBondContact CG2-OG1 3.4Å; T153-T164 VanDerWaalsContact CG2-OG1 3.28Å; T153-T164 WeakPolarHBondContact CG2-OG1 3.11Å; N160-T164 PolarHBondContact O-N 2.78Å; N160-T164 PolarHBondContact O-OG1 3Å; I161-T164 PolarHBondContact O-N 3.27Å; E162-T164 VanDerWaalsContact C-N 3.28Å; E162-T164 PolarHBondContact O-N 2.83Å; T164-L168 WeakPolarHBondContact O-CB 3.31Å; T164-L168 PolarHBondContact O-N 2.78Å; T164-L168 VanDerWaalsContact O-N 3.16Å |
| 165 | F | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -79.1 | -29.6 | -176.3 | -66.5 | -81.3 | 0 | 0 | 0 | 112.9 | I13 L24 F28 L60 L62 V86 I161 E162 A169 | I13-F165 HydrophobicContact CD1-CE1 4.22Å; I13-F165 HydrophobicContact CD1-CZ 4.13Å; L24-F165 HydrophobicContact CD2-CZ 4.43Å; L24-F165 HydrophobicContact CG-CE2 4.38Å; L24-F165 HydrophobicContact CG-CZ 4.43Å; F28-F165 HydrophobicContact CB-CD2 3.67Å; F28-F165 HydrophobicContact CB-CE2 3.43Å; F28-F165 VanDerWaalsContact CB-CE2 3.43Å; F28-F165 HydrophobicContact CB-CZ 4.2Å; F28-F165 HydrophobicContact CD1-CB 4.47Å; F28-F165 HydrophobicContact CD1-CD1 4.18Å; F28-F165 AromaticContact CD1-CD2 3.75Å; F28-F165 HydrophobicContact CD1-CD2 3.75Å; F28-F165 HydrophobicContact CD1-CE1 4.36Å; F28-F165 AromaticContact CD1-CE2 3.97Å; F28-F165 HydrophobicContact CD1-CE2 3.97Å; F28-F165 AromaticContact CD1-CG 3.87Å; F28-F165 HydrophobicContact CD1-CG 3.87Å; F28-F165 HydrophobicContact CD1-CZ 4.27Å; F28-F165 HydrophobicContact CD2-CB 3.94Å; F28-F165 AromaticContact CD2-CD2 3.31Å; F28-F165 HydrophobicContact CD2-CD2 3.31Å; F28-F165 HydrophobicContact CD2-CE2 4.04Å; F28-F165 AromaticContact CD2-CG 3.81Å; F28-F165 HydrophobicContact CD2-CG 3.81Å; F28-F165 HydrophobicContact CE1-CB 4.04Å; F28-F165 HydrophobicContact CE1-CD1 4.14Å; F28-F165 HydrophobicContact CE1-CD2 4.17Å; F28-F165 AromaticContact CE1-CG 3.85Å; F28-F165 HydrophobicContact CE1-CG 3.85Å; F28-F165 HydrophobicContact CE2-CB 3.46Å; F28-F165 VanDerWaalsContact CE2-CB 3.46Å; F28-F165 AromaticContact CE2-CD2 3.8Å; F28-F165 HydrophobicContact CE2-CD2 3.8Å; F28-F165 AromaticContact CE2-CG 3.81Å; F28-F165 HydrophobicContact CE2-CG 3.81Å; F28-F165 HydrophobicContact CG-CB 4.41Å; F28-F165 AromaticContact CG-CD2 3.27Å; F28-F165 HydrophobicContact CG-CD2 3.27Å; F28-F165 AromaticContact CG-CE2 3.54Å; F28-F165 HydrophobicContact CG-CE2 3.54Å; F28-F165 AromaticContact CG-CG 3.83Å; F28-F165 HydrophobicContact CG-CG 3.83Å; F28-F165 HydrophobicContact CG-CZ 4.27Å; F28-F165 HydrophobicContact CZ-CB 3.5Å; F28-F165 HydrophobicContact CZ-CD1 4.46Å; F28-F165 HydrophobicContact CZ-CD2 4.19Å; F28-F165 AromaticContact CZ-CG 3.81Å; F28-F165 HydrophobicContact CZ-CG 3.81Å; L60-F165 HydrophobicContact CD1-CB 3.98Å; L60-F165 HydrophobicContact CD1-CD1 4.34Å; L62-F165 HydrophobicContact CD1-CE1 4.26Å; L62-F165 HydrophobicContact CD2-CD1 4.09Å; L62-F165 HydrophobicContact CD2-CE1 3.93Å; V86-F165 HydrophobicContact CG2-CE1 4.29Å; I161-F165 VanDerWaalsContact O-CD2 3.27Å; I161-F165 WeakPolarHBondContact O-CD2 3.44Å; E162-F165 PolarHBondContact O-N 2.63Å; E162-F165 VanDerWaalsContact O-N 3.1Å; F165-A169 VanDerWaalsContact O-CB 3.31Å; F165-A169 WeakPolarHBondContact O-CB 3.41Å; F165-A169 PolarHBondContact O-N 2.98Å |
| 166 | E | 96.4 | Very high | 96.9 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.6 | -51.7 | 169.9 | -72.6 | 174.8 | 169.7 | 0 | 0 | 111.4 | E162 L168 A169 E170 | E162-E166 WeakPolarHBondContact O-CG 3.43Å; E162-E166 PolarHBondContact O-N 3.25Å; E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 3.08Å; E166-A169 PolarHBondContact O-N 3.33Å; E166-A169 VanDerWaalsContact O-N 3.15Å; E166-E170 WeakPolarHBondContact O-CB 3.26Å; E166-E170 WeakPolarHBondContact O-CG 3.32Å; E166-E170 PolarHBondContact O-N 3.02Å |
| 167 | L | 97.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 40.1 Ų | 40.1 | 19% | 0.188 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 178.2 | -73.1 | 171.1 | 0 | 0 | 0 | 111.8 | I119 I149 I151 K163 G171 | I119-L167 HydrophobicContact CD1-CB 3.92Å; I149-L167 HydrophobicContact CD1-CB 4.18Å; I149-L167 HydrophobicContact CD1-CD1 4.41Å; I149-L167 HydrophobicContact CD1-CD2 4.36Å; I149-L167 HydrophobicContact CG2-CD1 4.21Å; I151-L167 HydrophobicContact CD1-CD1 4.29Å; K163-L167 HydrophobicContact CD-CD1 4.17Å; K163-L167 HydrophobicContact CD-CG 3.98Å; K163-L167 HydrophobicContact CG-CD1 3.91Å; K163-L167 HydrophobicContact CG-CG 4.24Å; K163-L167 WeakPolarHBondContact O-CB 3.35Å; K163-L167 VanDerWaalsContact O-CG 3.23Å; K163-L167 WeakPolarHBondContact O-CG 3.42Å; K163-L167 PolarHBondContact O-N 2.95Å; L167-G171 PolarHBondContact O-N 3.45Å |
| 168 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 176.3 | -170.1 | 72.7 | 0 | 0 | 0 | 110.9 | V11 V86 V117 I119 T164 E166 G171 I172 | V11-L168 HydrophobicContact CB-CD2 4.24Å; V11-L168 HydrophobicContact CG1-CD2 3.45Å; V11-L168 VanDerWaalsContact CG1-CD2 3.45Å; V11-L168 HydrophobicContact CG2-CD2 3.72Å; V86-L168 HydrophobicContact CG2-CD2 3.84Å; V117-L168 HydrophobicContact CB-CD1 4.31Å; V117-L168 HydrophobicContact CG1-CD1 3.96Å; I119-L168 HydrophobicContact CD1-CB 3.74Å; I119-L168 HydrophobicContact CD1-CD1 4.05Å; I119-L168 HydrophobicContact CG1-CD1 3.87Å; T164-L168 WeakPolarHBondContact O-CB 3.31Å; T164-L168 PolarHBondContact O-N 2.78Å; T164-L168 VanDerWaalsContact O-N 3.16Å; E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 3.08Å; L168-G171 PolarHBondContact O-N 2.94Å; L168-I172 HydrophobicContact CG-CD1 4.02Å; L168-I172 WeakPolarHBondContact O-CD1 3.38Å; L168-I172 VanDerWaalsContact O-CG1 3.28Å; L168-I172 WeakPolarHBondContact O-CG1 3.38Å; L168-I172 PolarHBondContact O-N 3.28Å |
| 169 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 I52 V58 L60 F165 E166 I172 Y173 | V50-A169 HydrophobicContact CG2-CB 4.02Å; I52-A169 HydrophobicContact CG2-CB 3.53Å; V58-A169 HydrophobicContact CG1-CB 4.45Å; L60-A169 HydrophobicContact CD1-CB 4.48Å; L60-A169 HydrophobicContact CD2-CB 4.1Å; F165-A169 VanDerWaalsContact O-CB 3.31Å; F165-A169 WeakPolarHBondContact O-CB 3.41Å; F165-A169 PolarHBondContact O-N 2.98Å; E166-A169 PolarHBondContact O-N 3.33Å; E166-A169 VanDerWaalsContact O-N 3.15Å; A169-I172 PolarHBondContact O-N 2.91Å; A169-Y173 VanDerWaalsContact O-CB 3.26Å; A169-Y173 WeakPolarHBondContact O-CB 3.39Å; A169-Y173 PolarHBondContact O-N 2.99Å |
| 170 | E | 97.4 | Very high | 96.5 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 34% | 0.341 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 173.7 | -74.6 | 170.8 | -170 | 0 | 0 | 111.7 | I52 E166 Y173 S174 | I52-E170 HydrophobicContact CB-CG 4.02Å; I52-E170 HydrophobicContact CG2-CG 4.25Å; E166-E170 WeakPolarHBondContact O-CB 3.26Å; E166-E170 WeakPolarHBondContact O-CG 3.32Å; E166-E170 PolarHBondContact O-N 3.02Å; E170-Y173 PolarHBondContact O-N 2.88Å; E170-S174 WeakPolarHBondContact O-CB 3.35Å; E170-S174 PolarHBondContact O-N 2.77Å |
| 171 | G | 97.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L167 L168 S174 N175 | L167-G171 PolarHBondContact O-N 3.45Å; L168-G171 PolarHBondContact O-N 2.94Å; G171-S174 WeakPolarHBondContact O-CB 3.28Å; G171-S174 PolarHBondContact O-N 3.24Å; G171-N175 PolarHBondContact O-N 2.94Å |
| 172 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 178.6 | -63.1 | 159.5 | 0 | 0 | 0 | 109.9 | F9 V11 V83 V117 L168 A169 S174 N175 V176 Y181 V193 | F9-I172 HydrophobicContact CB-CD1 4.22Å; F9-I172 HydrophobicContact CB-CG2 4.32Å; F9-I172 HydrophobicContact CD1-CG2 3.78Å; F9-I172 HydrophobicContact CD2-CB 3.74Å; F9-I172 HydrophobicContact CD2-CD1 4.01Å; F9-I172 HydrophobicContact CD2-CG2 3.51Å; F9-I172 HydrophobicContact CE1-CG2 3.92Å; F9-I172 HydrophobicContact CE2-CB 3.81Å; F9-I172 HydrophobicContact CE2-CG2 3.65Å; F9-I172 HydrophobicContact CG-CB 4.32Å; F9-I172 HydrophobicContact CG-CD1 4.37Å; F9-I172 HydrophobicContact CG-CG2 3.61Å; F9-I172 HydrophobicContact CZ-CB 4.43Å; F9-I172 HydrophobicContact CZ-CG2 3.87Å; V11-I172 HydrophobicContact CG2-CD1 4.35Å; V83-I172 HydrophobicContact CB-CG2 4.28Å; V83-I172 HydrophobicContact CG2-CD1 4.13Å; V83-I172 HydrophobicContact CG2-CG1 4.44Å; V83-I172 HydrophobicContact CG2-CG2 3.83Å; V117-I172 HydrophobicContact CB-CG1 3.84Å; V117-I172 HydrophobicContact CG2-CB 4.41Å; V117-I172 HydrophobicContact CG2-CG1 3.73Å; L168-I172 HydrophobicContact CG-CD1 4.02Å; L168-I172 WeakPolarHBondContact O-CD1 3.38Å; L168-I172 VanDerWaalsContact O-CG1 3.28Å; L168-I172 WeakPolarHBondContact O-CG1 3.38Å; L168-I172 PolarHBondContact O-N 3.28Å; A169-I172 PolarHBondContact O-N 2.91Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 3.12Å; I172-N175 WeakPolarHBondContact O-CB 3.48Å; I172-N175 PolarHBondContact O-N 3.28Å; I172-N175 VanDerWaalsContact O-N 3.09Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 3.11Å; I172-Y181 HydrophobicContact CG2-CE2 4.14Å; I172-V193 HydrophobicContact CG2-CG2 4.49Å |
| 173 | Y | 96.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -39.3 | 177.7 | -179.1 | -115.2 | 0 | 0 | 0 | 112.3 | Y7 F9 I52 V56 A169 E170 N175 V176 I177 | Y7-Y173 HydrophobicContact CD2-CD2 4.11Å; Y7-Y173 AromaticContact CD2-CE2 3.93Å; Y7-Y173 HydrophobicContact CD2-CE2 3.93Å; Y7-Y173 HydrophobicContact CE2-CD2 4.07Å; Y7-Y173 AromaticContact CE2-CE2 3.45Å; Y7-Y173 HydrophobicContact CE2-CE2 3.45Å; Y7-Y173 VanDerWaalsContact CE2-CE2 3.45Å; Y7-Y173 AromaticContact CZ-CE2 3.98Å; F9-Y173 HydrophobicContact CZ-CD2 4.46Å; I52-Y173 HydrophobicContact CD1-CD1 3.56Å; I52-Y173 HydrophobicContact CD1-CD2 4.08Å; I52-Y173 HydrophobicContact CD1-CE1 4.33Å; I52-Y173 HydrophobicContact CD1-CG 3.39Å; V56-Y173 HydrophobicContact CG1-CD2 4.3Å; V56-Y173 HydrophobicContact CG1-CE1 4.35Å; V56-Y173 HydrophobicContact CG1-CE2 3.89Å; V56-Y173 HydrophobicContact CG2-CE1 4.47Å; A169-Y173 VanDerWaalsContact O-CB 3.26Å; A169-Y173 WeakPolarHBondContact O-CB 3.39Å; A169-Y173 PolarHBondContact O-N 2.99Å; E170-Y173 PolarHBondContact O-N 2.88Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.31Å; Y173-V176 WeakPolarHBondContact O-CB 3.3Å; Y173-V176 PolarHBondContact O-N 3.04Å; Y173-V176 VanDerWaalsContact O-N 3.08Å; Y173-I177 HydrophobicContact CD1-CG1 4.35Å; Y173-I177 HydrophobicContact CD2-CG1 4.38Å; Y173-I177 HydrophobicContact CE1-CD1 4.39Å; Y173-I177 HydrophobicContact CE1-CG1 3.95Å; Y173-I177 HydrophobicContact CE2-CD1 3.85Å; Y173-I177 HydrophobicContact CE2-CG1 3.94Å; Y173-I177 WeakPolarHBondContact O-CG1 3.32Å; Y173-I177 PolarHBondContact O-N 3.02Å |
| 174 | S | 96.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.1 | -42.8 | 172 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | E170 G171 I172 I177 K178 | E170-S174 WeakPolarHBondContact O-CB 3.35Å; E170-S174 PolarHBondContact O-N 2.77Å; G171-S174 WeakPolarHBondContact O-CB 3.28Å; G171-S174 PolarHBondContact O-N 3.24Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 3.12Å; S174-I177 PolarHBondContact O-N 3.06Å; S174-K178 VanDerWaalsContact O-CG 3.26Å; S174-K178 WeakPolarHBondContact O-CG 3.47Å; S174-K178 PolarHBondContact O-N 3.15Å; S174-K178 WeakPolarHBondContact OG-CE 3.37Å; S174-K178 PolarHBondContact OG-NZ 3.4Å |
| 175 | N | 96.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 175.7 | -70.4 | -11 | 0 | 0 | 0 | 112.8 | A115 V117 G171 I172 Y173 K178 G179 S180 Y181 | A115-N175 PolarHBondContact O-ND2 3.26Å; A115-N175 VanDerWaalsContact O-ND2 3.16Å; V117-N175 WeakPolarHBondContact CG2-ND2 2.91Å; G171-N175 PolarHBondContact O-N 2.94Å; I172-N175 WeakPolarHBondContact O-CB 3.48Å; I172-N175 PolarHBondContact O-N 3.28Å; I172-N175 VanDerWaalsContact O-N 3.09Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.31Å; N175-K178 PolarHBondContact O-N 3.2Å; N175-G179 PolarHBondContact O-N 3.14Å; N175-S180 WeakPolarHBondContact O-CB 3.47Å; N175-S180 PolarHBondContact O-N 3.25Å; N175-S180 PolarHBondContact O-OG 3.49Å; N175-Y181 HydrophobicContact CB-CD2 4.47Å; N175-Y181 HydrophobicContact CB-CE2 3.54Å; N175-Y181 WeakPolarHBondContact CB-OH 3.27Å; N175-Y181 PolarHBondContact ND2-OH 3.18Å |
| 176 | V | 94.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | Y7 F9 I172 Y173 K178 G179 Y181 V193 | Y7-V176 HydrophobicContact CD1-CG1 4.25Å; Y7-V176 HydrophobicContact CE1-CG1 3.79Å; F9-V176 HydrophobicContact CE1-CG2 3.88Å; F9-V176 HydrophobicContact CZ-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 3.11Å; Y173-V176 WeakPolarHBondContact O-CB 3.3Å; Y173-V176 PolarHBondContact O-N 3.04Å; Y173-V176 VanDerWaalsContact O-N 3.08Å; V176-K178 VanDerWaalsContact C-N 3.3Å; V176-K178 PolarHBondContact O-N 3.23Å; V176-G179 WeakPolarHBondContact O-CA 3.36Å; V176-G179 PolarHBondContact O-N 3.12Å; V176-Y181 HydrophobicContact CG2-CD2 3.77Å; V176-Y181 HydrophobicContact CG2-CE2 3.9Å; V176-V193 HydrophobicContact CG2-CG1 3.94Å; V176-V193 HydrophobicContact CG2-CG2 4.17Å |
| 177 | I | 93.8 | Very high | 91.8 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 55% | 0.554 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.6 | -34.5 | -178.8 | -64 | -60.1 | 0 | 0 | 0 | 112 | Y173 S174 G179 | Y173-I177 HydrophobicContact CD1-CG1 4.35Å; Y173-I177 HydrophobicContact CD2-CG1 4.38Å; Y173-I177 HydrophobicContact CE1-CD1 4.39Å; Y173-I177 HydrophobicContact CE1-CG1 3.95Å; Y173-I177 HydrophobicContact CE2-CD1 3.85Å; Y173-I177 HydrophobicContact CE2-CG1 3.94Å; Y173-I177 WeakPolarHBondContact O-CG1 3.32Å; Y173-I177 PolarHBondContact O-N 3.02Å; S174-I177 PolarHBondContact O-N 3.06Å; I177-G179 PolarHBondContact O-N 3.43Å |
| 178 | K | 95.1 | Very high | 90.7 | Very high | 146 Ų | 146 | 54.2 Ų | 54.2 | 64% | 0.635 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.6 | 172.9 | -69.3 | 169 | -172 | 171 | 0 | 113.6 | S174 N175 V176 S180 | S174-K178 VanDerWaalsContact O-CG 3.26Å; S174-K178 WeakPolarHBondContact O-CG 3.47Å; S174-K178 PolarHBondContact O-N 3.15Å; S174-K178 WeakPolarHBondContact OG-CE 3.37Å; S174-K178 PolarHBondContact OG-NZ 3.4Å; N175-K178 PolarHBondContact O-N 3.2Å; V176-K178 VanDerWaalsContact C-N 3.3Å; V176-K178 PolarHBondContact O-N 3.23Å; K178-S180 VanDerWaalsContact C-N 3.32Å |
| 179 | G | 93.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | N175 V176 I177 Y181 N182 | N175-G179 PolarHBondContact O-N 3.14Å; V176-G179 WeakPolarHBondContact O-CA 3.36Å; V176-G179 PolarHBondContact O-N 3.12Å; I177-G179 PolarHBondContact O-N 3.43Å; G179-Y181 PolarHBondContact O-N 3.49Å; G179-N182 WeakPolarHBondContact CA-ND2 3.45Å; G179-N182 WeakPolarHBondContact O-CB 3.41Å; G179-N182 VanDerWaalsContact O-CG 3.28Å; G179-N182 PolarHBondContact O-N 3.02Å; G179-N182 VanDerWaalsContact O-N 3.12Å |
| 180 | S | 93.7 | Very high | 89.4 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.7 | -174.8 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | N175 K178 | N175-S180 WeakPolarHBondContact O-CB 3.47Å; N175-S180 PolarHBondContact O-N 3.25Å; N175-S180 PolarHBondContact O-OG 3.49Å; K178-S180 VanDerWaalsContact C-N 3.32Å |
| 181 | Y | 91.8 | Very high | 89 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 0.6 | 179.9 | -50.7 | -57.1 | 0 | 0 | 0 | 114 | V83 C113 A115 I172 N175 V176 G179 E183 L184 C185 W190 V193 | V83-Y181 HydrophobicContact CG1-CE1 4.14Å; C113-Y181 HydrophobicContact CB-CD1 4.05Å; C113-Y181 HydrophobicContact CB-CE1 4.07Å; A115-Y181 HydrophobicContact CB-CE1 4.21Å; A115-Y181 WeakPolarHBondContact O-CE1 3.47Å; A115-Y181 PolarHBondContact O-OH 3.13Å; I172-Y181 HydrophobicContact CG2-CE2 4.14Å; N175-Y181 HydrophobicContact CB-CD2 4.47Å; N175-Y181 HydrophobicContact CB-CE2 3.54Å; N175-Y181 WeakPolarHBondContact CB-OH 3.27Å; N175-Y181 PolarHBondContact ND2-OH 3.18Å; V176-Y181 HydrophobicContact CG2-CD2 3.77Å; V176-Y181 HydrophobicContact CG2-CE2 3.9Å; G179-Y181 PolarHBondContact O-N 3.49Å; Y181-E183 VanDerWaalsContact C-N 3.34Å; Y181-E183 PolarHBondContact O-N 3.32Å; Y181-L184 PolarHBondContact O-N 3.01Å; Y181-L184 VanDerWaalsContact O-N 3.11Å; Y181-C185 PolarHBondContact O-N 3.07Å; Y181-C185 PolarHBondContact O-SG 2.99Å; Y181-C185 VanDerWaalsContact O-SG 3.34Å; Y181-W190 HydrophobicContact CD1-CH2 4.08Å; Y181-W190 HydrophobicContact CG-CH2 4.11Å; Y181-V193 HydrophobicContact CD2-CG2 3.82Å; Y181-V193 HydrophobicContact CE2-CG2 4.11Å; Y181-V193 HydrophobicContact CG-CG2 4.34Å |
| 182 | N | 88.2 | Confident | 88.6 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.4 | -43.1 | -169.8 | -73.5 | -5.8 | 0 | 0 | 0 | 113.4 | G179 L184 C185 A186 | G179-N182 WeakPolarHBondContact CA-ND2 3.45Å; G179-N182 WeakPolarHBondContact O-CB 3.41Å; G179-N182 VanDerWaalsContact O-CG 3.28Å; G179-N182 PolarHBondContact O-N 3.02Å; G179-N182 VanDerWaalsContact O-N 3.12Å; N182-L184 VanDerWaalsContact C-N 3.31Å; N182-L184 PolarHBondContact O-N 2.56Å; N182-C185 PolarHBondContact O-N 2.84Å; N182-A186 WeakPolarHBondContact O-CB 3.23Å; N182-A186 PolarHBondContact O-N 2.97Å |
| 183 | E | 84.2 | Confident | 88.4 | Confident | 184 Ų | 184 | 60 Ų | 60 | 86% | 0.86 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | -179.9 | -64.7 | -178.6 | 175.7 | 0 | 0 | 112.3 | Y181 | Y181-E183 VanDerWaalsContact C-N 3.34Å; Y181-E183 PolarHBondContact O-N 3.32Å |
| 184 | L | 83.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.1 | -39.4 | 178.6 | -73.3 | 175.5 | 0 | 0 | 0 | 112 | K112 C113 Y181 N182 A186 G187 W190 | K112-L184 HydrophobicContact CD-CD2 3.88Å; K112-L184 VanDerWaalsContact CE-CD2 3.47Å; K112-L184 HydrophobicContact CG-CD2 4.11Å; C113-L184 HydrophobicContact CB-CD1 3.67Å; Y181-L184 PolarHBondContact O-N 3.01Å; Y181-L184 VanDerWaalsContact O-N 3.11Å; N182-L184 VanDerWaalsContact C-N 3.31Å; N182-L184 PolarHBondContact O-N 2.56Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.04Å; L184-G187 PolarHBondContact O-N 2.82Å; L184-W190 HydrophobicContact CB-CB 4.22Å; L184-W190 HydrophobicContact CB-CD2 3.79Å; L184-W190 HydrophobicContact CB-CE3 3.82Å; L184-W190 HydrophobicContact CB-CG 4Å; L184-W190 HydrophobicContact CB-CZ3 4.39Å; L184-W190 HydrophobicContact CD1-CD2 4.21Å; L184-W190 HydrophobicContact CD1-CG 4.47Å; L184-W190 HydrophobicContact CD1-CZ2 4.27Å |
| 185 | C | 79.6 | Confident | 87.7 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 37% | 0.365 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.9 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | Y181 N182 G187 G188 | Y181-C185 PolarHBondContact O-N 3.07Å; Y181-C185 PolarHBondContact O-SG 2.99Å; Y181-C185 VanDerWaalsContact O-SG 3.34Å; N182-C185 PolarHBondContact O-N 2.84Å; C185-G187 PolarHBondContact O-N 2.76Å; C185-G188 PolarHBondContact O-N 3.31Å; C185-G188 VanDerWaalsContact O-N 3.13Å |
| 186 | A | 77.5 | Confident | 86.9 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 74% | 0.744 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62 | -26.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N182 L184 G188 | N182-A186 WeakPolarHBondContact O-CB 3.23Å; N182-A186 PolarHBondContact O-N 2.97Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.04Å; A186-G188 VanDerWaalsContact C-N 3.26Å; A186-G188 PolarHBondContact O-N 3.06Å |
| 187 | G | 75.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 55% | 0.546 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L184 C185 I189 | L184-G187 PolarHBondContact O-N 2.82Å; C185-G187 PolarHBondContact O-N 2.76Å; G187-I189 PolarHBondContact O-N 3.11Å |
| 188 | G | 74.2 | Confident | 83.9 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 68.1 | -13.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117 | C185 A186 | C185-G188 PolarHBondContact O-N 3.31Å; C185-G188 VanDerWaalsContact O-N 3.13Å; A186-G188 VanDerWaalsContact C-N 3.26Å; A186-G188 PolarHBondContact O-N 3.06Å |
| 189 | I | 80.2 | Confident | 81.9 | Confident | 153 Ų | 153 | 65.6 Ų | 65.6 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | trans | -94.1 | -29.5 | -178 | -60.4 | 168.1 | 0 | 0 | 0 | 111.7 | G187 | G187-I189 PolarHBondContact O-N 3.11Š| ||
| 190 | W | 88 | Confident | 80 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 6% | 0.057 | 41% | 0.406 | C | S | . | . | trans | -82.4 | 130.3 | -177.8 | -176.1 | 82 | 0 | 0 | 0 | 110.6 | V83 C113 Y181 L184 V193 | V83-W190 HydrophobicContact CG1-CH2 3.42Å; V83-W190 VanDerWaalsContact CG1-CH2 3.42Å; V83-W190 HydrophobicContact CG1-CZ2 3.36Å; C113-W190 HydrophobicContact CB-CZ2 3.98Å; Y181-W190 HydrophobicContact CD1-CH2 4.08Å; Y181-W190 HydrophobicContact CG-CH2 4.11Å; L184-W190 HydrophobicContact CB-CB 4.22Å; L184-W190 HydrophobicContact CB-CD2 3.79Å; L184-W190 HydrophobicContact CB-CE3 3.82Å; L184-W190 HydrophobicContact CB-CG 4Å; L184-W190 HydrophobicContact CB-CZ3 4.39Å; L184-W190 HydrophobicContact CD1-CD2 4.21Å; L184-W190 HydrophobicContact CD1-CG 4.47Å; L184-W190 HydrophobicContact CD1-CZ2 4.27Å; W190-V193 HydrophobicContact CH2-CB 4.15Å; W190-V193 HydrophobicContact CH2-CG2 3.89Å; W190-V193 HydrophobicContact CZ3-CB 3.89Å; W190-V193 HydrophobicContact CZ3-CG2 4.15Å; W190-V193 VanDerWaalsContact CZ3-N 3.34Å | ||
| 191 | D | 89 | Confident | 77.9 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | trans | -128.8 | 23.9 | -168.1 | 63.1 | -12.1 | 0 | 0 | 0 | 113.4 | R10 N81 | R10-D191 IonicContact CZ-OD1 3.81Å; R10-D191 IonicContact CZ-OD2 3.74Å; R10-D191 IonicContact NH1-OD1 3.04Å; R10-D191 PolarHBondContact NH1-OD1 2.69Å; R10-D191 IonicContact NH1-OD2 2.79Å; R10-D191 PolarHBondContact NH1-OD2 2.95Å; R10-D191 IonicContact NH2-OD1 3.76Å; R10-D191 IonicContact NH2-OD2 2.64Å; R10-D191 PolarHBondContact NH2-OD2 3.29Å; N81-D191 WeakPolarHBondContact CB-OD1 3.28Å; N81-D191 PolarHBondContact ND2-OD1 2.67Å | ||
| 192 | G | 90.2 | Very high | 76 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -70.3 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | F9 R10 N81 V83 | F9-G192 WeakPolarHBondContact CA-O 3.41Å; R10-G192 PolarHBondContact N-O 2.83Å; N81-G192 WeakPolarHBondContact O-CA 3.42Å; V83-G192 WeakPolarHBondContact CG2-O 3.25Å |
| 193 | V | 93.5 | Very high | 74.3 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.6 | 166.6 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | Y7 Q8 F9 V83 I172 V176 Y181 W190 | Y7-V193 HydrophobicContact CD1-CG1 4.48Å; Q8-V193 CarbonylContact O-C 3.45Å; Q8-V193 WeakPolarHBondContact O-CA 3.43Å; F9-V193 HydrophobicContact CD1-CB 4.39Å; F9-V193 HydrophobicContact CD1-CG1 4.09Å; F9-V193 HydrophobicContact CD1-CG2 3.88Å; F9-V193 HydrophobicContact CE1-CG1 3.87Å; F9-V193 HydrophobicContact CE1-CG2 4.17Å; V83-V193 HydrophobicContact CG1-CG2 4.04Å; V83-V193 HydrophobicContact CG2-CG2 4.18Å; I172-V193 HydrophobicContact CG2-CG2 4.49Å; V176-V193 HydrophobicContact CG2-CG1 3.94Å; V176-V193 HydrophobicContact CG2-CG2 4.17Å; Y181-V193 HydrophobicContact CD2-CG2 3.82Å; Y181-V193 HydrophobicContact CE2-CG2 4.11Å; Y181-V193 HydrophobicContact CG-CG2 4.34Å; W190-V193 HydrophobicContact CH2-CB 4.15Å; W190-V193 HydrophobicContact CH2-CG2 3.89Å; W190-V193 HydrophobicContact CZ3-CB 3.89Å; W190-V193 HydrophobicContact CZ3-CG2 4.15Å; W190-V193 VanDerWaalsContact CZ3-N 3.34Å |
| 194 | K | 91.3 | Very high | 72.7 | Confident | 94 Ų | 94 | 63.5 Ų | 63.5 | 41% | 0.409 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.1 | 167.1 | -57.7 | -173.1 | -177.6 | -173.9 | 0 | 109.9 | Y7 Q8 | Y7-K194 CarbonylContact C-O 3.55Å; Y7-K194 VanDerWaalsContact CA-O 3.26Å; Y7-K194 WeakPolarHBondContact CA-O 3.27Å; Q8-K194 HydrophobicContact CB-CB 4.21Å; Q8-K194 PolarHBondContact N-O 2.93Å; Q8-K194 PolarHBondContact O-N 3.09Å |
| 195 | Q | 87 | Confident | 71.2 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.1 | 167 | -160.6 | 169.9 | 23.2 | 0 | 0 | 109.2 | D6 Y7 | D6-Q195 CarbonylContact O-C 3.53Å; D6-Q195 WeakPolarHBondContact O-CA 3.04Å; D6-Q195 WeakPolarHBondContact O-CG 3.37Å; Y7-Q195 HydrophobicContact CD1-CG 4.37Å; Y7-Q195 HydrophobicContact CE1-CG 4.04Å |
| 196 | G | 80.8 | Confident | 70 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 42% | 0.418 | C | S | . | . | trans | -72.5 | 128.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D6 N198 A199 | D6-G196 PolarHBondContact O-N 3.43Å; G196-N198 PolarHBondContact O-N 3.33Å; G196-A199 PolarHBondContact O-N 3.35Å | ||
| 197 | H | 64 | Low | 69 | Low | 171 Ų | 171 | 65.1 Ų | 65.1 | 79% | 0.792 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67 | -22.7 | 178.5 | -72.1 | 100.1 | 0 | 0 | 0 | 113.4 | A199 | H197-A199 VanDerWaalsContact C-N 3.32Å; H197-A199 PolarHBondContact O-N 2.89Å |
| 198 | N | 61.5 | Low | 67.8 | Low | 69 Ų | 69 | 70.4 Ų | 70.4 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.3 | -16.5 | -177.3 | -72.7 | -17.8 | 0 | 0 | 0 | 113.4 | Y4 G196 A200 L201 A202 | Y4-N198 HydrophobicContact CD2-CB 4.04Å; Y4-N198 HydrophobicContact CE2-CB 4.33Å; G196-N198 PolarHBondContact O-N 3.33Å; N198-A200 VanDerWaalsContact C-N 3.34Å; N198-L201 PolarHBondContact O-N 3.48Å; N198-A202 WeakPolarHBondContact O-CB 3.26Å; N198-A202 PolarHBondContact O-N 3.39Å |
| 199 | A | 53.4 | Low | 66.7 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y4 G196 H197 A203 | Y4-A199 WeakPolarHBondContact OH-CA 3.43Å; G196-A199 PolarHBondContact O-N 3.35Å; H197-A199 VanDerWaalsContact C-N 3.32Å; H197-A199 PolarHBondContact O-N 2.89Å; A199-A203 VanDerWaalsContact O-CB 3.26Å; A199-A203 WeakPolarHBondContact O-CB 3.38Å; A199-A203 PolarHBondContact O-N 3.28Å |
| 200 | A | 51.7 | Low | 65.3 | Low | 75 Ų | 75 | 69.9 Ų | 69.9 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | N198 S204 | N198-A200 VanDerWaalsContact C-N 3.34Å; A200-S204 WeakPolarHBondContact O-CB 3.26Å; A200-S204 PolarHBondContact O-N 2.95Å |
| 201 | L | 50.3 | Low | 63.6 | Low | 98 Ų | 98 | 76.1 Ų | 76.1 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 179.8 | -162.5 | 74.8 | 0 | 0 | 0 | 111.7 | N198 S204 L205 | N198-L201 PolarHBondContact O-N 3.48Å; L201-S204 CarbonylContact O-C 3.58Å; L201-S204 PolarHBondContact O-N 3.18Å; L201-S204 PolarHBondContact O-OG 3.28Å; L201-L205 HydrophobicContact CG-CD1 4.27Å; L201-L205 WeakPolarHBondContact O-CB 3.41Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.25Å; L201-L205 PolarHBondContact O-N 3.05Å |
| 202 | A | 51.7 | Low | 61.3 | Low | 39 Ų | 39 | 83.2 Ų | 83.2 | 32% | 0.322 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y4 N198 S204 L205 A206 | Y4-A202 HydrophobicContact CD2-CB 4.35Å; Y4-A202 HydrophobicContact CE2-CB 3.71Å; N198-A202 WeakPolarHBondContact O-CB 3.26Å; N198-A202 PolarHBondContact O-N 3.39Å; A202-S204 VanDerWaalsContact C-N 3.32Å; A202-S204 PolarHBondContact O-N 3.08Å; A202-L205 PolarHBondContact O-N 3.02Å; A202-A206 VanDerWaalsContact O-CB 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 3.21Å |
| 203 | A | 53.5 | Low | 58.9 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A199 S207 | A199-A203 VanDerWaalsContact O-CB 3.26Å; A199-A203 WeakPolarHBondContact O-CB 3.38Å; A199-A203 PolarHBondContact O-N 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.47Å; A203-S207 PolarHBondContact O-N 3.42Å; A203-S207 PolarHBondContact O-OG 2.7Å |
| 204 | S | 50.2 | Low | 56.4 | Low | 43 Ų | 43 | 94.5 Ų | 94.5 | 30% | 0.301 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -33.9 | 175 | 82.5 | 0 | 0 | 0 | 0 | 113.1 | A200 L201 A202 S207 R208 | A200-S204 WeakPolarHBondContact O-CB 3.26Å; A200-S204 PolarHBondContact O-N 2.95Å; L201-S204 CarbonylContact O-C 3.58Å; L201-S204 PolarHBondContact O-N 3.18Å; L201-S204 PolarHBondContact O-OG 3.28Å; A202-S204 VanDerWaalsContact C-N 3.32Å; A202-S204 PolarHBondContact O-N 3.08Å; S204-S207 WeakPolarHBondContact CA-OG 3.27Å; S204-S207 PolarHBondContact O-OG 2.95Å; S204-S207 VanDerWaalsContact O-OG 3.05Å; S204-R208 WeakPolarHBondContact O-CB 3.24Å; S204-R208 VanDerWaalsContact O-CG 3.26Å; S204-R208 WeakPolarHBondContact O-CG 3.39Å; S204-R208 PolarHBondContact O-N 3.19Å; S204-R208 VanDerWaalsContact O-N 3.14Å |
| 205 | L | 52.3 | Low | 53.8 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.5 | -40.1 | 177 | -71.5 | 170.2 | 0 | 0 | 0 | 111.1 | L201 A202 R208 S209 | L201-L205 HydrophobicContact CG-CD1 4.27Å; L201-L205 WeakPolarHBondContact O-CB 3.41Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.25Å; L201-L205 PolarHBondContact O-N 3.05Å; A202-L205 PolarHBondContact O-N 3.02Å; L205-R208 PolarHBondContact O-N 2.77Å; L205-S209 PolarHBondContact O-N 3.41Å; L205-S209 PolarHBondContact O-OG 3.32Å |
| 206 | A | 54.2 | Low | 51.4 | Low | 49 Ų | 49 | 99.8 Ų | 99.8 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A202 R208 S209 I210 | A202-A206 VanDerWaalsContact O-CB 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 3.21Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.34Å; A206-S209 VanDerWaalsContact CA-OG 3.31Å; A206-S209 WeakPolarHBondContact CA-OG 2.77Å; A206-S209 PolarHBondContact O-N 2.82Å; A206-S209 PolarHBondContact O-OG 3.29Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 2.9Å; A206-I210 VanDerWaalsContact O-N 3.14Å |
| 207 | S | 55.4 | Low | 49.5 | Very low | 64 Ų | 64 | 104.4 Ų | 104.4 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -32.9 | 173.5 | 51 | 0 | 0 | 0 | 0 | 112.7 | A203 S204 | A203-S207 WeakPolarHBondContact O-CB 3.47Å; A203-S207 PolarHBondContact O-N 3.42Å; A203-S207 PolarHBondContact O-OG 2.7Å; S204-S207 WeakPolarHBondContact CA-OG 3.27Å; S204-S207 PolarHBondContact O-OG 2.95Å; S204-S207 VanDerWaalsContact O-OG 3.05Å |
| 208 | R | 51.1 | Low | 48.3 | Very low | 164 Ų | 164 | 105.6 Ų | 105.6 | 62% | 0.619 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71 | -38.7 | 171.8 | -78.7 | 177.8 | -178.3 | -157.3 | 1.5 | 112.9 | S204 L205 A206 I210 Q211 F212 | S204-R208 WeakPolarHBondContact O-CB 3.24Å; S204-R208 VanDerWaalsContact O-CG 3.26Å; S204-R208 WeakPolarHBondContact O-CG 3.39Å; S204-R208 PolarHBondContact O-N 3.19Å; S204-R208 VanDerWaalsContact O-N 3.14Å; L205-R208 PolarHBondContact O-N 2.77Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.34Å; R208-I210 VanDerWaalsContact C-N 3.26Å; R208-I210 PolarHBondContact O-N 2.71Å; R208-Q211 PolarHBondContact O-N 2.92Å; R208-Q211 VanDerWaalsContact O-N 3.07Å; R208-F212 WeakPolarHBondContact O-CD2 3.26Å |
| 209 | S | 52.2 | Low | 47.3 | Very low | 77 Ų | 77 | 110.2 Ų | 110.2 | 54% | 0.538 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.7 | -32.5 | 176.7 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | L205 A206 Q211 F212 | L205-S209 PolarHBondContact O-N 3.41Å; L205-S209 PolarHBondContact O-OG 3.32Å; A206-S209 VanDerWaalsContact CA-OG 3.31Å; A206-S209 WeakPolarHBondContact CA-OG 2.77Å; A206-S209 PolarHBondContact O-N 2.82Å; A206-S209 PolarHBondContact O-OG 3.29Å; S209-Q211 PolarHBondContact O-N 3.25Å; S209-F212 PolarHBondContact O-N 2.73Å |
| 210 | I | 50.3 | Low | 46.7 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -25.6 | 174 | -64.6 | 165.4 | 0 | 0 | 0 | 111.7 | A206 R208 | A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 2.9Å; A206-I210 VanDerWaalsContact O-N 3.14Å; R208-I210 VanDerWaalsContact C-N 3.26Å; R208-I210 PolarHBondContact O-N 2.71Å |
| 211 | Q | 51 | Low | 46.2 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.4 | -16.8 | 177.7 | -73.7 | -170.5 | -37.5 | 0 | 0 | 114.3 | R208 S209 | R208-Q211 PolarHBondContact O-N 2.92Å; R208-Q211 VanDerWaalsContact O-N 3.07Å; S209-Q211 PolarHBondContact O-N 3.25Å |
| 212 | F | 40.7 | Very low | 45.6 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 80% | 0.798 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -87.7 | -4.1 | -177.9 | -85.3 | -78.7 | 0 | 0 | 0 | 114.9 | R208 S209 | R208-F212 WeakPolarHBondContact O-CD2 3.26Å; S209-F212 PolarHBondContact O-N 2.73Å |
| 213 | D | 41.4 | Very low | 45.1 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -96.7 | 19.3 | -175 | -130.4 | 11.7 | 0 | 0 | 0 | 114.2 | ||
| 214 | S | 40.5 | Very low | 44.9 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -116.5 | 15 | -177.7 | 61.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 215 | N | 37.2 | Very low | 44.6 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -130.2 | 69.2 | 174.4 | -81.3 | -36.1 | 0 | 0 | 0 | 112 | P217 | N215-P217 WeakPolarHBondContact O-CD 3.38Š| ||
| 216 | E | 36 | Very low | 44.2 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 117.7 | 159.2 | -93.6 | -171.9 | 155.5 | 0 | 0 | 109.6 | ||||
| 217 | P | 41.2 | Very low | 43.7 | Very low | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 123.7 | 172.7 | 7.3 | 9.5 | 0 | 0 | 0 | 109.8 | N215 L219 | N215-P217 WeakPolarHBondContact O-CD 3.38Å; P217-L219 PolarHBondContact O-N 3.25Å | ||
| 218 | K | 39.6 | Very low | 43 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -61.2 | 101.6 | 167.2 | -68.9 | -179.2 | 177.5 | 179.8 | 0 | 109.7 | Y220 | K218-Y220 PolarHBondContact O-N 3.4Š| ||
| 219 | L | 40 | Very low | 42.5 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -79.7 | 103.3 | 167.4 | -94.9 | 105.9 | 0 | 0 | 0 | 110.1 | P217 | P217-L219 PolarHBondContact O-N 3.25Š| ||
| 220 | Y | 39.5 | Very low | 41.8 | Very low | 212 Ų | 212 | 152.5 Ų | 152.5 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -64.9 | 142.2 | 155.5 | -102.1 | -103.6 | 0 | 0 | 0 | 109.8 | K218 | K218-Y220 PolarHBondContact O-N 3.4Š| ||
| 221 | G | 42.1 | Very low | 41.2 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | -171.8 | 79.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C223 | G221-C223 PolarHBondContact O-N 3.34Š| ||
| 222 | D | 37.9 | Very low | 40.5 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 85% | 0.846 | S | S | * | * | trans | -58.5 | 120.9 | 165.1 | -70.8 | -41.9 | 0 | 0 | 0 | 109.5 | ||||
| 223 | C | 40 | Very low | 40.5 | Very low | 130 Ų | 130 | 152 Ų | 152 | 88% | 0.878 | 85% | 0.85 | S | S | * | * | trans | -103.9 | 121.1 | 163.6 | -81.6 | 0 | 0 | 0 | 0 | 108.1 | G221 | G221-C223 PolarHBondContact O-N 3.34Š| ||
| 224 | C | 50.4 | Low | 40.4 | Very low | 204 Ų | 204 | 151.5 Ų | 151.5 | 100% | 1.378 | 85% | 0.85 | S | S | * | * | trans | -56.6 | 0 | 173 | -60.3 | 0 | 0 | 0 | 0 | 113 |
Retrieved 224 of 224 residues in 48 ms
(Link to these results)