| 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 | 49.5 | Very low | 85 | Confident | 239 Ų | 239 | 69.4 Ų | 69.4 | 100% | 1.177 | 34% | 0.337 | S | S | * | . | 0 | 120 | 0 | -94 | 177.9 | -93.4 | 0 | 0 | 107 | |||||
| 2 | E | 60.9 | Low | 85.9 | Confident | 188 Ų | 188 | 63.6 Ų | 63.6 | 88% | 0.879 | 31% | 0.309 | S | S | * | . | trans | -62.4 | 138 | 167.5 | -78.2 | 179.3 | 158.5 | 0 | 0 | 108.9 | I4 | E2-I4 PolarHBondContact O-N 3.35Š| ||
| 3 | A | 68 | Low | 86.8 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | trans | -65.3 | 126.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | W5 G192 F193 | A3-W5 WeakPolarHBondContact CB-O 3.4Å; A3-W5 PolarHBondContact O-N 3.47Å; A3-G192 WeakPolarHBondContact CB-O 3.22Å; A3-F193 HydrophobicContact CB-CD1 3.85Å; A3-F193 HydrophobicContact CB-CD2 4.45Å; A3-F193 HydrophobicContact CB-CE1 3.89Å; A3-F193 HydrophobicContact CB-CE2 4.48Å; A3-F193 HydrophobicContact CB-CG 4.14Å; A3-F193 HydrophobicContact CB-CZ 4.21Å | ||
| 4 | I | 85.8 | Confident | 87.4 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -63.8 | -22 | 179.9 | -60.5 | 169.6 | 0 | 0 | 0 | 111.4 | E2 L49 | E2-I4 PolarHBondContact O-N 3.35Å; I4-L49 HydrophobicContact CG2-CD1 3.88Å |
| 5 | W | 91.1 | Very high | 88 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | trans | -139.8 | 152.8 | 176.6 | 58 | 85.7 | 0 | 0 | 0 | 110.8 | A3 L49 R57 K59 G192 | A3-W5 WeakPolarHBondContact CB-O 3.4Å; A3-W5 PolarHBondContact O-N 3.47Å; W5-L49 HydrophobicContact CB-CD2 3.73Å; W5-L49 HydrophobicContact CD2-CD2 4.23Å; W5-L49 HydrophobicContact CE3-CD2 3.85Å; W5-L49 HydrophobicContact CG-CD2 4.22Å; W5-R57 CarbonylContact C-O 3.53Å; W5-R57 VanDerWaalsContact CA-O 3.29Å; W5-R57 WeakPolarHBondContact CA-O 3.22Å; W5-R57 HydrophobicContact CB-CB 4.41Å; W5-R57 WeakPolarHBondContact CB-O 3.16Å; W5-K59 HydrophobicContact CB-CB 4.27Å; W5-K59 HydrophobicContact CD2-CB 3.92Å; W5-K59 HydrophobicContact CD2-CD 4.03Å; W5-K59 HydrophobicContact CE3-CB 4.49Å; W5-K59 HydrophobicContact CE3-CD 4.24Å; W5-K59 HydrophobicContact CG-CB 3.79Å; W5-K59 HydrophobicContact CH2-CD 4.08Å; W5-K59 HydrophobicContact CZ2-CD 3.82Å; W5-K59 HydrophobicContact CZ3-CD 4.27Å; W5-G192 WeakPolarHBondContact O-CA 3.27Å | ||
| 6 | L | 93.5 | Very high | 88.4 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -79.3 | -49 | 178.1 | 178.6 | 62.6 | 0 | 0 | 0 | 111.3 | K56 R57 I58 Y172 G192 F193 | L6-K56 HydrophobicContact CD2-CD 4.48Å; L6-R57 PolarHBondContact N-O 3.06Å; L6-I58 HydrophobicContact CB-CD1 4.47Å; L6-Y172 HydrophobicContact CD2-CE2 3.92Å; L6-G192 PolarHBondContact O-N 2.8Å; L6-F193 HydrophobicContact CD1-CE2 3.84Å |
| 7 | Y | 96.2 | Very high | 88.6 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 158.8 | 178.1 | -59 | -65.5 | 0 | 0 | 0 | 111.5 | F9 I58 K59 Y172 V175 I182 V189 K190 | Y7-F9 HydrophobicContact CD2-CE1 4.36Å; Y7-F9 HydrophobicContact CD2-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.12Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 HydrophobicContact CG-CD1 4.47Å; Y7-I58 WeakPolarHBondContact O-CA 3.32Å; Y7-K59 PolarHBondContact O-N 3.45Å; Y7-Y172 HydrophobicContact CD2-CD2 4.19Å; Y7-Y172 HydrophobicContact CD2-CE2 4.39Å; Y7-Y172 HydrophobicContact CE2-CD2 4.24Å; Y7-Y172 HydrophobicContact CE2-CE2 4.14Å; Y7-V175 HydrophobicContact CD2-CG1 4.31Å; Y7-V175 HydrophobicContact CE1-CG1 4.2Å; Y7-V175 HydrophobicContact CE2-CG1 3.77Å; Y7-I182 HydrophobicContact CD1-CD1 4.13Å; Y7-I182 HydrophobicContact CE1-CD1 3.95Å; Y7-V189 HydrophobicContact CD1-CG1 4.16Å; Y7-V189 HydrophobicContact CG-CG1 4.43Å; Y7-K190 CarbonylContact C-O 3.46Å; Y7-K190 VanDerWaalsContact CA-O 3.22Å; Y7-K190 WeakPolarHBondContact CA-O 3.14Å |
| 8 | Q | 97 | Very high | 88.9 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.3 | 165 | -178 | -176.8 | -88.3 | 0 | 0 | 108.8 | K59 Q61 V189 K190 | Q8-K59 CarbonylContact C-O 3.47Å; Q8-K59 WeakPolarHBondContact CA-O 3.46Å; Q8-K59 HydrophobicContact CB-CB 4.24Å; Q8-K59 HydrophobicContact CG-CB 4.2Å; Q8-K59 HydrophobicContact CG-CD 4.3Å; Q8-K59 HydrophobicContact CG-CG 4.23Å; Q8-K59 WeakPolarHBondContact CG-O 3.34Å; Q8-Q61 VanDerWaalsContact CD-CD 3.42Å; Q8-Q61 HydrophobicContact CG-CG 3.92Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.15Å; Q8-V189 WeakPolarHBondContact O-CA 3.16Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 2.76Å; Q8-K190 PolarHBondContact O-N 3.3Å |
| 9 | F | 98 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.6 | 175.6 | -62.9 | -16.3 | 0 | 0 | 0 | 110.7 | Y7 L11 I58 K59 L60 Q61 V83 T168 I171 V175 G188 V189 | Y7-F9 HydrophobicContact CD2-CE1 4.36Å; Y7-F9 HydrophobicContact CD2-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.12Å; F9-L11 HydrophobicContact CB-CD2 4.28Å; F9-I58 HydrophobicContact CB-CG2 4.38Å; F9-I58 HydrophobicContact CD1-CG2 4.21Å; F9-I58 HydrophobicContact CD2-CG2 3.54Å; F9-I58 HydrophobicContact CE1-CG2 4.37Å; F9-I58 HydrophobicContact CE2-CG1 4.47Å; F9-I58 HydrophobicContact CE2-CG2 3.72Å; F9-I58 HydrophobicContact CG-CG2 3.78Å; F9-I58 HydrophobicContact CZ-CD1 4.31Å; F9-I58 HydrophobicContact CZ-CG2 4.13Å; F9-K59 PolarHBondContact N-O 2.95Å; F9-L60 HydrophobicContact CB-CD2 4.05Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; F9-Q61 PolarHBondContact O-N 3.29Å; F9-V83 HydrophobicContact CB-CG1 3.9Å; F9-V83 HydrophobicContact CG-CG1 4.3Å; F9-T168 HydrophobicContact CD2-CG2 4.05Å; F9-T168 HydrophobicContact CE2-CG2 4.05Å; F9-I171 HydrophobicContact CD1-CG2 4.18Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.3Å; F9-I171 HydrophobicContact CD2-CG2 3.69Å; F9-I171 HydrophobicContact CE1-CG2 4.04Å; F9-I171 HydrophobicContact CE2-CB 3.79Å; F9-I171 HydrophobicContact CE2-CG2 3.53Å; F9-I171 HydrophobicContact CG-CG2 4.04Å; F9-I171 HydrophobicContact CZ-CB 4.38Å; F9-I171 HydrophobicContact CZ-CG2 3.73Å; F9-V175 HydrophobicContact CE1-CG2 4.22Å; F9-V175 HydrophobicContact CZ-CG2 4.34Å; F9-G188 WeakPolarHBondContact CA-O 3.41Å; F9-V189 HydrophobicContact CD1-CB 4.39Å; F9-V189 HydrophobicContact CD1-CG1 3.99Å; F9-V189 HydrophobicContact CD1-CG2 3.93Å; F9-V189 HydrophobicContact CE1-CG1 3.77Å; F9-V189 HydrophobicContact CE1-CG2 4.09Å |
| 10 | R | 97.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.5 | 173.2 | -174.2 | 163.9 | 174.6 | 135.1 | 6.4 | 110.2 | N81 S82 V83 G84 E187 G188 | R10-N81 WeakPolarHBondContact CB-O 3.5Å; R10-N81 VanDerWaalsContact CD-O 3.27Å; R10-N81 WeakPolarHBondContact CD-O 3.49Å; R10-N81 WeakPolarHBondContact CG-O 3.41Å; R10-S82 WeakPolarHBondContact O-CA 3.45Å; R10-V83 WeakPolarHBondContact O-CG1 3.28Å; R10-V83 PolarHBondContact O-N 2.68Å; R10-G84 PolarHBondContact O-N 3.09Å; R10-E187 WeakPolarHBondContact CB-O 3.37Å; R10-E187 IonicContact CZ-OE2 3.09Å; R10-E187 IonicContact NH1-OE2 3.97Å; R10-E187 PolarHBondContact NH1-OE2 2.72Å; R10-G188 PolarHBondContact N-O 2.8Å |
| 11 | L | 98 | Very high | 89.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.2 | -179.6 | -53.1 | -173.1 | 0 | 0 | 0 | 110.7 | F9 L60 Q61 I62 W63 G84 F164 L167 I171 | F9-L11 HydrophobicContact CB-CD2 4.28Å; L11-L60 HydrophobicContact CD1-CB 4.29Å; L11-L60 HydrophobicContact CD1-CD1 3.93Å; L11-L60 HydrophobicContact CD1-CD2 3.93Å; L11-L60 HydrophobicContact CD1-CG 4.27Å; L11-L60 HydrophobicContact CG-CD2 4.39Å; L11-Q61 PolarHBondContact N-O 2.98Å; L11-I62 HydrophobicContact CB-CG1 4.43Å; L11-I62 HydrophobicContact CD1-CG1 4.43Å; L11-W63 PolarHBondContact O-N 3.03Å; L11-G84 CarbonylContact C-O 3.51Å; L11-G84 VanDerWaalsContact CA-O 3.25Å; L11-G84 WeakPolarHBondContact CA-O 3.19Å; L11-F164 HydrophobicContact CD1-CD1 4.39Å; L11-L167 HydrophobicContact CD1-CD2 4.16Å; L11-L167 HydrophobicContact CD2-CD2 4.08Å; L11-L167 HydrophobicContact CD2-CG 4.46Å; L11-I171 HydrophobicContact CD2-CD1 3.7Å |
| 12 | I | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.9 | 171.5 | -161.7 | 175.4 | 0 | 0 | 0 | 110.9 | I14 W63 T65 Y79 G84 G85 L86 I116 | I12-I14 HydrophobicContact CD1-CG2 3.88Å; I12-I14 HydrophobicContact CG1-CG2 3.87Å; I12-I14 HydrophobicContact CG2-CG2 4.26Å; I12-W63 HydrophobicContact CG1-CB 4.25Å; I12-T65 HydrophobicContact CD1-CG2 3.73Å; I12-T65 HydrophobicContact CG1-CG2 3.56Å; I12-Y79 HydrophobicContact CD1-CD1 3.37Å; I12-Y79 HydrophobicContact CD1-CE1 3.54Å; I12-G84 PolarHBondContact N-O 3.03Å; I12-G85 CarbonylContact O-C 3.46Å; I12-G85 WeakPolarHBondContact O-CA 3.33Å; I12-L86 PolarHBondContact O-N 2.86Å; I12-I116 HydrophobicContact CG2-CD1 3.87Å |
| 13 | V | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.3 | 174.7 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | K21 I25 I62 W63 T65 L86 L88 | V13-K21 HydrophobicContact CG1-CB 3.83Å; V13-K21 HydrophobicContact CG1-CD 4.15Å; V13-K21 HydrophobicContact CG1-CG 3.99Å; V13-I25 HydrophobicContact CB-CD1 3.75Å; V13-I25 HydrophobicContact CB-CG1 4.38Å; V13-I25 HydrophobicContact CG1-CD1 4.12Å; V13-I25 HydrophobicContact CG1-CG1 4.46Å; V13-I25 HydrophobicContact CG2-CD1 3.59Å; V13-I25 HydrophobicContact CG2-CG1 3.84Å; V13-I62 HydrophobicContact CG2-CG2 3.78Å; V13-W63 PolarHBondContact N-O 2.94Å; V13-T65 PolarHBondContact O-OG1 2.78Å; V13-L86 HydrophobicContact CG1-CB 4.32Å; V13-L86 HydrophobicContact CG2-CB 4.38Å; V13-L88 HydrophobicContact CG1-CD1 3.7Å; V13-L88 HydrophobicContact CG1-CD2 4.09Å |
| 14 | I | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 164.2 | -172.1 | 60.8 | 173.8 | 0 | 0 | 0 | 111.2 | I12 T65 Y79 L86 L87 L88 W103 T107 F118 | I12-I14 HydrophobicContact CD1-CG2 3.88Å; I12-I14 HydrophobicContact CG1-CG2 3.87Å; I12-I14 HydrophobicContact CG2-CG2 4.26Å; I14-T65 HydrophobicContact CG2-CG2 4.37Å; I14-Y79 HydrophobicContact CG2-CE1 4Å; I14-L86 PolarHBondContact N-O 3.24Å; I14-L87 HydrophobicContact CD1-CD1 3.88Å; I14-L87 HydrophobicContact CG1-CB 4.41Å; I14-L87 HydrophobicContact CG1-CD1 3.75Å; I14-L88 PolarHBondContact O-N 3.19Å; I14-W103 HydrophobicContact CB-CE3 4.07Å; I14-W103 HydrophobicContact CD1-CB 4.24Å; I14-T107 HydrophobicContact CD1-CG2 4.42Å; I14-T107 WeakPolarHBondContact CD1-OG1 3.41Å; I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.8Å; I14-F118 HydrophobicContact CG1-CE1 4.25Å |
| 15 | G | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 135.7 | 170 | -174 | 0 | 0 | 0 | 0 | 0 | 111.2 | K21 G67 L88 W103 | G15-K21 PolarHBondContact O-NZ 2.76Å; G15-G67 WeakPolarHBondContact O-CA 3.42Å; G15-L88 WeakPolarHBondContact CA-O 3.39Å; G15-W103 VanDerWaalsContact O-CZ2 3.27Å; G15-W103 WeakPolarHBondContact O-CZ2 3.24Å | ||
| 16 | D | 95.1 | Very high | 95.9 | Very high | 21 Ų | 21 | 22.1 Ų | 22.1 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -55.5 | 162.2 | -175.6 | -82.4 | 8.2 | 0 | 0 | 0 | 113.6 | V19 K21 S96 N99 W103 | D16-V19 HydrophobicContact CB-CG1 3.71Å; D16-V19 VanDerWaalsContact O-CG2 3.29Å; D16-V19 WeakPolarHBondContact O-CG2 3.17Å; D16-K21 PolarHBondContact O-NZ 3.44Å; D16-S96 WeakPolarHBondContact OD2-CA 3.35Å; D16-N99 WeakPolarHBondContact OD1-CB 3.31Å; D16-N99 PolarHBondContact OD1-ND2 3.16Å; D16-N99 PolarHBondContact OD2-ND2 2.8Å; D16-W103 PolarHBondContact OD1-NE1 3.26Å |
| 17 | S | 92.2 | Very high | 96.1 | Very high | 50 Ų | 50 | 22.9 Ų | 22.9 | 35% | 0.35 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 146.5 | 167.1 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | V19 G67 | S17-V19 PolarHBondContact O-N 2.97Å; S17-V19 VanDerWaalsContact O-N 3.14Å; S17-G67 PolarHBondContact N-O 2.8Å; S17-G67 VanDerWaalsContact N-O 3.09Å |
| 18 | T | 92.4 | Very high | 96.2 | Very high | 106 Ų | 106 | 20.6 Ų | 20.6 | 65% | 0.65 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | -0.4 | 175 | 76.5 | 0 | 0 | 0 | 0 | 116.9 | G20 K124 | T18-G20 PolarHBondContact O-N 2.92Å; T18-K124 WeakPolarHBondContact O-CE 3.48Å; T18-K124 PolarHBondContact O-NZ 3.03Å |
| 19 | V | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -66.2 | -17 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | D16 S17 K21 L88 D90 H123 K124 | D16-V19 HydrophobicContact CB-CG1 3.71Å; D16-V19 VanDerWaalsContact O-CG2 3.29Å; D16-V19 WeakPolarHBondContact O-CG2 3.17Å; S17-V19 PolarHBondContact O-N 2.97Å; S17-V19 VanDerWaalsContact O-N 3.14Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; V19-L88 HydrophobicContact CG2-CB 3.81Å; V19-D90 HydrophobicContact CB-CB 4.21Å; V19-D90 HydrophobicContact CG1-CB 4.21Å; V19-H123 PolarHBondContact O-CD2 2.81Å; V19-K124 WeakPolarHBondContact O-CE 3.3Å |
| 20 | G | 95.9 | Very high | 96 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | trans | 102.5 | 25.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T18 S22 C23 L24 | T18-G20 PolarHBondContact O-N 2.92Å; G20-S22 PolarHBondContact O-N 2.95Å; G20-C23 WeakPolarHBondContact O-CB 3.34Å; G20-C23 PolarHBondContact O-N 2.77Å; G20-L24 PolarHBondContact O-N 2.76Å | ||
| 21 | K | 95.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.6 | -56.8 | 178.2 | -56.6 | -170.6 | -66.2 | -75.8 | 0 | 113 | V13 G15 D16 V19 C23 L24 I25 T65 G67 L88 | V13-K21 HydrophobicContact CG1-CB 3.83Å; V13-K21 HydrophobicContact CG1-CD 4.15Å; V13-K21 HydrophobicContact CG1-CG 3.99Å; G15-K21 PolarHBondContact O-NZ 2.76Å; D16-K21 PolarHBondContact O-NZ 3.44Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.19Å; K21-L24 PolarHBondContact O-N 3.33Å; K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.38Å; K21-I25 PolarHBondContact O-N 3.49Å; K21-T65 WeakPolarHBondContact CE-O 3.1Å; K21-G67 VanDerWaalsContact NZ-CA 3.33Å; K21-L88 HydrophobicContact CB-CD2 4.31Å; K21-L88 HydrophobicContact CG-CB 4.42Å; K21-L88 HydrophobicContact CG-CD2 3.94Å |
| 22 | S | 95.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 179.2 | -43 | 0 | 0 | 0 | 0 | 112.5 | G20 I25 R26 T40 D64 | G20-S22 PolarHBondContact O-N 2.95Å; S22-I25 PolarHBondContact O-N 2.75Å; S22-R26 WeakPolarHBondContact O-CB 3.33Å; S22-R26 VanDerWaalsContact O-CG 3.29Å; S22-R26 WeakPolarHBondContact O-CG 3.42Å; S22-R26 PolarHBondContact O-N 3.07Å; S22-T40 PolarHBondContact OG-OG1 3.41Å; S22-D64 WeakPolarHBondContact CA-OD2 3.44Å; S22-D64 WeakPolarHBondContact CB-OD2 3.23Å; S22-D64 PolarHBondContact OG-OD2 2.86Å |
| 23 | C | 96.1 | Very high | 95 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 12% | 0.122 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | G20 K21 R27 F33 A154 | G20-C23 WeakPolarHBondContact O-CB 3.34Å; G20-C23 PolarHBondContact O-N 2.77Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.19Å; C23-R27 WeakPolarHBondContact O-CB 3.2Å; C23-R27 PolarHBondContact O-N 3.08Å; C23-F33 HydrophobicContact CB-CD2 4.27Å; C23-F33 HydrophobicContact CB-CE2 4.24Å; C23-A154 HydrophobicContact CB-CB 3.94Å |
| 24 | L | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.7 | -174.4 | 69.4 | 0 | 0 | 0 | 111.1 | G20 K21 R27 F28 L86 L88 V121 T152 V160 F164 | G20-L24 PolarHBondContact O-N 2.76Å; K21-L24 PolarHBondContact O-N 3.33Å; L24-R27 PolarHBondContact O-N 3.45Å; L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.12Å; L24-L86 HydrophobicContact CD2-CD1 4.27Å; L24-L88 HydrophobicContact CB-CD2 4.4Å; L24-L88 HydrophobicContact CD2-CD1 4.36Å; L24-L88 HydrophobicContact CD2-CD2 3.79Å; L24-L88 HydrophobicContact CD2-CG 4.37Å; L24-V121 HydrophobicContact CD2-CG1 4.24Å; L24-T152 HydrophobicContact CD1-CG2 4.45Å; L24-V160 HydrophobicContact CD1-CB 4.25Å; L24-V160 HydrophobicContact CD1-CG1 3.95Å; L24-V160 HydrophobicContact CD1-CG2 3.78Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CG-CE2 4.1Å |
| 25 | I | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 179.4 | -63.9 | 163.8 | 0 | 0 | 0 | 111.1 | V13 K21 S22 F28 T29 F46 I62 D64 F164 | V13-I25 HydrophobicContact CB-CD1 3.75Å; V13-I25 HydrophobicContact CB-CG1 4.38Å; V13-I25 HydrophobicContact CG1-CD1 4.12Å; V13-I25 HydrophobicContact CG1-CG1 4.46Å; V13-I25 HydrophobicContact CG2-CD1 3.59Å; V13-I25 HydrophobicContact CG2-CG1 3.84Å; K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.38Å; K21-I25 PolarHBondContact O-N 3.49Å; S22-I25 PolarHBondContact O-N 2.75Å; I25-F28 CarbonylContact O-C 3.52Å; I25-F28 WeakPolarHBondContact O-CB 3.25Å; I25-F28 PolarHBondContact O-N 3.29Å; I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 WeakPolarHBondContact O-CB 3.47Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 3.49Å; I25-T29 PolarHBondContact O-OG1 2.95Å; I25-F46 HydrophobicContact CG2-CB 3.92Å; I25-F46 HydrophobicContact CG2-CD1 4.04Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE1 4.44Å; I25-F46 HydrophobicContact CG2-CE2 3.92Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.39Å; I25-I62 HydrophobicContact CD1-CG2 4.04Å; I25-I62 HydrophobicContact CG1-CG2 4.05Å; I25-I62 HydrophobicContact CG2-CG2 4.08Å; I25-D64 HydrophobicContact CD1-CB 3.41Å; I25-D64 VanDerWaalsContact CD1-CB 3.41Å; I25-D64 WeakPolarHBondContact CD1-OD1 3.3Å; I25-F164 HydrophobicContact CG1-CZ 4.23Å |
| 26 | R | 95.9 | Very high | 92.2 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 177.6 | -71.8 | 179.7 | -177.3 | -85.8 | 3 | 111.9 | S22 F28 T29 E30 G31 R32 F46 | S22-R26 WeakPolarHBondContact O-CB 3.33Å; S22-R26 VanDerWaalsContact O-CG 3.29Å; S22-R26 WeakPolarHBondContact O-CG 3.42Å; S22-R26 PolarHBondContact O-N 3.07Å; R26-F28 VanDerWaalsContact C-N 3.3Å; R26-F28 PolarHBondContact O-N 3.2Å; R26-T29 PolarHBondContact O-N 2.93Å; R26-E30 IonicContact NH1-OE1 3.65Å; R26-E30 PolarHBondContact NH1-OE1 2.96Å; R26-E30 IonicContact NH1-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CA 3.32Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.37Å; R26-E30 PolarHBondContact O-N 3.25Å; R26-G31 PolarHBondContact O-N 3.07Å; R26-R32 CarbonylContact C-O 3.55Å; R26-F46 HydrophobicContact CG-CE1 3.97Å; R26-F46 HydrophobicContact CG-CZ 4.14Å |
| 27 | R | 97.3 | Very high | 91.1 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -42.6 | 172.4 | 179.2 | 60 | 77.4 | 174.8 | 19.6 | 111 | C23 L24 G31 R32 A154 R155 V160 | C23-R27 WeakPolarHBondContact O-CB 3.2Å; C23-R27 PolarHBondContact O-N 3.08Å; L24-R27 PolarHBondContact O-N 3.45Å; R27-G31 PolarHBondContact NH1-O 3.01Å; R27-G31 VanDerWaalsContact O-CA 3.23Å; R27-G31 WeakPolarHBondContact O-CA 3.4Å; R27-G31 PolarHBondContact O-N 3.37Å; R27-G31 VanDerWaalsContact O-N 3.16Å; R27-R32 WeakPolarHBondContact CA-O 3.34Å; R27-R32 PolarHBondContact N-O 3.45Å; R27-R32 VanDerWaalsContact N-O 3.14Å; R27-A154 HydrophobicContact CB-CB 4.19Å; R27-A154 PolarHBondContact NE-O 3.13Å; R27-A154 PolarHBondContact NH2-O 2.73Å; R27-A154 VanDerWaalsContact NH2-O 3.17Å; R27-R155 PolarHBondContact NH2-O 3.33Å; R27-V160 HydrophobicContact CB-CG1 4.29Å; R27-V160 HydrophobicContact CG-CB 4.36Å; R27-V160 HydrophobicContact CG-CG1 4.02Å; R27-V160 HydrophobicContact CG-CG2 3.97Å |
| 28 | F | 98.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 177 | 178.5 | -108.7 | 0 | 0 | 0 | 112.6 | L24 I25 R26 R48 V50 L60 I62 V160 E161 F164 | L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.12Å; I25-F28 CarbonylContact O-C 3.52Å; I25-F28 WeakPolarHBondContact O-CB 3.25Å; I25-F28 PolarHBondContact O-N 3.29Å; R26-F28 VanDerWaalsContact C-N 3.3Å; R26-F28 PolarHBondContact O-N 3.2Å; F28-R48 HydrophobicContact CE1-CB 3.98Å; F28-R48 HydrophobicContact CE1-CG 4.29Å; F28-R48 WeakPolarHBondContact O-CD 3.49Å; F28-R48 VanDerWaalsContact O-CZ 3.22Å; F28-R48 PolarHBondContact O-NE 3.2Å; F28-R48 PolarHBondContact O-NH1 2.88Å; F28-V50 HydrophobicContact CZ-CG2 3.74Å; F28-L60 HydrophobicContact CE1-CD1 4.14Å; F28-L60 HydrophobicContact CZ-CD1 4.05Å; F28-I62 HydrophobicContact CD1-CD1 3.79Å; F28-I62 HydrophobicContact CE1-CD1 3.69Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.39Å; F28-E161 VanDerWaalsContact CE2-OE2 3.31Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.39Å; F28-F164 HydrophobicContact CB-CD2 3.87Å; F28-F164 HydrophobicContact CB-CE2 3.56Å; F28-F164 HydrophobicContact CB-CZ 4.16Å; F28-F164 HydrophobicContact CD1-CB 4.46Å; F28-F164 AromaticContact CD1-CD1 3.95Å; F28-F164 HydrophobicContact CD1-CD1 3.95Å; F28-F164 AromaticContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 3.98Å; F28-F164 HydrophobicContact CD1-CE2 3.98Å; F28-F164 AromaticContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CZ 4.1Å; F28-F164 HydrophobicContact CD2-CB 3.97Å; F28-F164 AromaticContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CE2 4.03Å; F28-F164 AromaticContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CE1-CB 4Å; F28-F164 AromaticContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.41Å; F28-F164 AromaticContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE2-CB 3.42Å; F28-F164 VanDerWaalsContact CE2-CB 3.42Å; F28-F164 AromaticContact CE2-CD2 3.82Å; F28-F164 HydrophobicContact CE2-CD2 3.82Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CB 4.46Å; F28-F164 HydrophobicContact CG-CD1 4.38Å; F28-F164 AromaticContact CG-CD2 3.41Å; F28-F164 HydrophobicContact CG-CD2 3.41Å; F28-F164 VanDerWaalsContact CG-CD2 3.41Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CZ 4.16Å; F28-F164 HydrophobicContact CZ-CB 3.44Å; F28-F164 VanDerWaalsContact CZ-CB 3.44Å; F28-F164 HydrophobicContact CZ-CD1 4.23Å; F28-F164 HydrophobicContact CZ-CD2 4.21Å; F28-F164 AromaticContact CZ-CG 3.72Å; F28-F164 HydrophobicContact CZ-CG 3.72Å |
| 29 | T | 96.6 | Very high | 90.1 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -90.6 | -33.5 | -169.7 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | I25 R26 F46 R48 I62 | I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 WeakPolarHBondContact O-CB 3.47Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 3.49Å; I25-T29 PolarHBondContact O-OG1 2.95Å; R26-T29 PolarHBondContact O-N 2.93Å; T29-F46 HydrophobicContact CG2-CB 4Å; T29-R48 HydrophobicContact CG2-CB 4.21Å; T29-I62 HydrophobicContact CG2-CD1 4.01Å |
| 30 | E | 94.7 | Very high | 89.4 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -114.1 | -9.3 | -173.5 | -55.4 | 170.2 | -171.6 | 0 | 0 | 112.3 | R26 R32 | R26-E30 IonicContact NH1-OE1 3.65Å; R26-E30 PolarHBondContact NH1-OE1 2.96Å; R26-E30 IonicContact NH1-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CA 3.32Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.37Å; R26-E30 PolarHBondContact O-N 3.25Å; E30-R32 HydrophobicContact CB-CB 4.31Å; E30-R32 HydrophobicContact CB-CG 4.31Å; E30-R32 PolarHBondContact O-N 3.24Å |
| 31 | G | 93.3 | Very high | 88.5 | Confident | 47 Ų | 47 | 66 Ų | 66 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 69.6 | 11.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R26 R27 | R26-G31 PolarHBondContact O-N 3.07Å; R27-G31 PolarHBondContact NH1-O 3.01Å; R27-G31 VanDerWaalsContact O-CA 3.23Å; R27-G31 WeakPolarHBondContact O-CA 3.4Å; R27-G31 PolarHBondContact O-N 3.37Å; R27-G31 VanDerWaalsContact O-N 3.16Å |
| 32 | R | 89.3 | Confident | 87.8 | Confident | 178 Ų | 178 | 66 Ų | 66 | 67% | 0.672 | 36% | 0.359 | S | S | * | . | trans | -110.7 | 150.2 | -172.5 | -67.6 | 175 | -176.1 | -176.8 | -0.2 | 112.2 | R26 R27 E30 | R26-R32 CarbonylContact C-O 3.55Å; R27-R32 WeakPolarHBondContact CA-O 3.34Å; R27-R32 PolarHBondContact N-O 3.45Å; R27-R32 VanDerWaalsContact N-O 3.14Å; E30-R32 HydrophobicContact CB-CB 4.31Å; E30-R32 HydrophobicContact CB-CG 4.31Å; E30-R32 PolarHBondContact O-N 3.24Å | ||
| 33 | F | 88 | Confident | 87.4 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | trans | -128.5 | 130.5 | 169.5 | 172.2 | -102.8 | 0 | 0 | 0 | 109.2 | C23 Q35 A154 R155 | C23-F33 HydrophobicContact CB-CD2 4.27Å; C23-F33 HydrophobicContact CB-CE2 4.24Å; F33-Q35 HydrophobicContact CE1-CB 4.02Å; F33-Q35 HydrophobicContact CZ-CB 4.38Å; F33-A154 HydrophobicContact CD2-CB 3.83Å; F33-A154 HydrophobicContact CE2-CB 4.16Å; F33-R155 HydrophobicContact CD1-CB 4.4Å; F33-R155 HydrophobicContact CD1-CG 4.28Å; F33-R155 HydrophobicContact CE1-CB 4.02Å; F33-R155 HydrophobicContact CE1-CG 3.85Å; F33-R155 HydrophobicContact CE2-CB 4.19Å; F33-R155 HydrophobicContact CZ-CB 3.91Å; F33-R155 HydrophobicContact CZ-CG 4.18Å | ||
| 34 | A | 82.7 | Confident | 87.1 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 44% | 0.438 | 37% | 0.372 | S | S | . | . | trans | -115.9 | 124.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108 | V36 | A34-V36 VanDerWaalsContact C-N 3.35Š| ||
| 35 | Q | 75.3 | Confident | 86.9 | Confident | 174 Ų | 174 | 73.3 Ų | 73.3 | 81% | 0.813 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -69.2 | -36.1 | -179.2 | -175.2 | 174.4 | 3.1 | 0 | 0 | 111.8 | F33 | F33-Q35 HydrophobicContact CE1-CB 4.02Å; F33-Q35 HydrophobicContact CZ-CB 4.38Å |
| 36 | V | 72 | Confident | 86.8 | Confident | 124 Ų | 124 | 74.3 Ų | 74.3 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | trans | -105 | 123.9 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | A34 | A34-V36 VanDerWaalsContact C-N 3.35Š| ||
| 37 | S | 71.2 | Confident | 86.9 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 47% | 0.469 | 40% | 0.397 | S | S | . | . | trans | -134.6 | 134.9 | 171.4 | 46.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 38 | D | 80.7 | Confident | 86.8 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 78% | 0.775 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 147.5 | 171.6 | -68.6 | -39.4 | 0 | 0 | 0 | 109.4 | T40 | D38-T40 PolarHBondContact O-N 3.38Š|
| 39 | P | 83.4 | Confident | 86.7 | Confident | 84 Ų | 84 | 75.3 Ų | 75.3 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 128.2 | 176.1 | -22 | 32.2 | 0 | 0 | 0 | 110.9 | V41 | P39-V41 PolarHBondContact O-N 3.09Å; P39-V41 VanDerWaalsContact O-N 3.15Å |
| 40 | T | 80.4 | Confident | 86.7 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 120.2 | 174.3 | -43 | 0 | 0 | 0 | 0 | 110.1 | S22 D38 A66 | S22-T40 PolarHBondContact OG-OG1 3.41Å; D38-T40 PolarHBondContact O-N 3.38Å; T40-A66 VanDerWaalsContact O-CB 3.28Å; T40-A66 WeakPolarHBondContact O-CB 3.24Å |
| 41 | V | 78 | Confident | 86.7 | Confident | 100 Ų | 100 | 75.7 Ų | 75.7 | 61% | 0.606 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -100.5 | 118.3 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | P39 F71 | P39-V41 PolarHBondContact O-N 3.09Å; P39-V41 VanDerWaalsContact O-N 3.15Å; V41-F71 HydrophobicContact CG1-CE1 3.99Å; V41-F71 HydrophobicContact CG1-CE2 4.41Å; V41-F71 HydrophobicContact CG1-CZ 3.9Å; V41-F71 HydrophobicContact CG2-CE2 4.23Å; V41-F71 HydrophobicContact CG2-CZ 4.21Å |
| 42 | G | 81.4 | Confident | 86.7 | Confident | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 77.8 | -129.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A66 | G42-A66 VanDerWaalsContact O-CB 3.3Å; G42-A66 WeakPolarHBondContact O-CB 3.32Å; G42-A66 PolarHBondContact O-N 2.99Å |
| 43 | V | 85.4 | Confident | 86.7 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128.7 | -173.7 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | W63 D64 I74 Y78 | V43-W63 HydrophobicContact CG1-CB 4.05Å; V43-W63 HydrophobicContact CG1-CD2 4.38Å; V43-W63 HydrophobicContact CG1-CE3 3.56Å; V43-W63 HydrophobicContact CG1-CZ3 4.39Å; V43-D64 CarbonylContact C-O 3.39Å; V43-D64 WeakPolarHBondContact CA-O 3.35Å; V43-D64 WeakPolarHBondContact CG1-O 3.5Å; V43-I74 HydrophobicContact CG2-CG2 4.26Å; V43-Y78 HydrophobicContact CB-CD2 4.12Å; V43-Y78 HydrophobicContact CB-CE1 4.29Å; V43-Y78 HydrophobicContact CB-CE2 3.86Å; V43-Y78 HydrophobicContact CB-CG 4.44Å; V43-Y78 HydrophobicContact CG1-CD1 4.06Å; V43-Y78 HydrophobicContact CG1-CD2 4.29Å; V43-Y78 HydrophobicContact CG1-CE1 4.17Å; V43-Y78 HydrophobicContact CG1-CE2 4.39Å; V43-Y78 HydrophobicContact CG1-CG 4.13Å; V43-Y78 HydrophobicContact CG2-CD2 3.48Å; V43-Y78 VanDerWaalsContact CG2-CD2 3.48Å; V43-Y78 HydrophobicContact CG2-CE2 3.49Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.49Å; V43-Y78 HydrophobicContact CG2-CG 4.09Å |
| 44 | D | 91.2 | Very high | 86.9 | Confident | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.1 | 174 | -75.7 | -29.5 | 0 | 0 | 0 | 111 | F46 D64 | D44-F46 HydrophobicContact CB-CD2 4.48Å; D44-F46 HydrophobicContact CB-CE2 3.7Å; D44-F46 HydrophobicContact CB-CZ 4.31Å; D44-D64 HydrophobicContact CB-CB 4.16Å; D44-D64 PolarHBondContact N-O 3.36Å; D44-D64 PolarHBondContact O-N 2.87Å |
| 45 | F | 92.7 | Very high | 87.1 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129 | -179.3 | 172.2 | -99.3 | 0 | 0 | 0 | 111.6 | Q61 W63 | F45-Q61 HydrophobicContact CE2-CB 3.75Å; F45-Q61 HydrophobicContact CE2-CG 3.69Å; F45-Q61 HydrophobicContact CZ-CB 4.39Å; F45-Q61 HydrophobicContact CZ-CG 3.9Å; F45-W63 HydrophobicContact CB-CE3 4.24Å; F45-W63 HydrophobicContact CB-CH2 4.44Å; F45-W63 HydrophobicContact CB-CZ3 4.02Å; F45-W63 HydrophobicContact CD2-CD2 4.24Å; F45-W63 AromaticContact CD2-CE2 3.92Å; F45-W63 HydrophobicContact CD2-CE3 4.37Å; F45-W63 HydrophobicContact CD2-CH2 4.1Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ3 4.32Å; F45-W63 HydrophobicContact CE2-CZ2 4.39Å |
| 46 | F | 96.1 | Very high | 87.8 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 9% | 0.092 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 155.9 | 173.5 | -58.1 | -98.3 | 0 | 0 | 0 | 110.7 | I25 R26 T29 D44 I62 D64 | I25-F46 HydrophobicContact CG2-CB 3.92Å; I25-F46 HydrophobicContact CG2-CD1 4.04Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE1 4.44Å; I25-F46 HydrophobicContact CG2-CE2 3.92Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.39Å; R26-F46 HydrophobicContact CG-CE1 3.97Å; R26-F46 HydrophobicContact CG-CZ 4.14Å; T29-F46 HydrophobicContact CG2-CB 4Å; D44-F46 HydrophobicContact CB-CD2 4.48Å; D44-F46 HydrophobicContact CB-CE2 3.7Å; D44-F46 HydrophobicContact CB-CZ 4.31Å; F46-I62 HydrophobicContact CB-CB 4.32Å; F46-I62 PolarHBondContact N-O 3.28Å; F46-I62 PolarHBondContact O-N 2.96Å; F46-D64 HydrophobicContact CD2-CB 4.22Å; F46-D64 HydrophobicContact CE2-CB 3.82Å |
| 47 | S | 96.2 | Very high | 89 | Confident | 54 Ų | 54 | 65.6 Ų | 65.6 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.6 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | K59 L60 | S47-K59 WeakPolarHBondContact OG-CE 3.41Å; S47-L60 WeakPolarHBondContact CA-O 3.09Å; S47-L60 PolarHBondContact OG-O 3.22Å |
| 48 | R | 96.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 140.8 | 172.9 | -169.8 | 176.4 | 179.4 | -160.9 | -5.3 | 111.6 | F28 T29 L60 E161 | F28-R48 HydrophobicContact CE1-CB 3.98Å; F28-R48 HydrophobicContact CE1-CG 4.29Å; F28-R48 WeakPolarHBondContact O-CD 3.49Å; F28-R48 VanDerWaalsContact O-CZ 3.22Å; F28-R48 PolarHBondContact O-NE 3.2Å; F28-R48 PolarHBondContact O-NH1 2.88Å; T29-R48 HydrophobicContact CG2-CB 4.21Å; R48-L60 PolarHBondContact N-O 2.91Å; R48-L60 PolarHBondContact O-N 3.3Å; R48-E161 IonicContact CZ-OE1 3.21Å; R48-E161 IonicContact CZ-OE2 3.5Å; R48-E161 IonicContact NH1-OE1 2.76Å; R48-E161 PolarHBondContact NH1-OE1 3.36Å; R48-E161 IonicContact NH1-OE2 2.76Å; R48-E161 PolarHBondContact NH1-OE2 2.95Å; R48-E161 VanDerWaalsContact NH1-OE2 3.13Å; R48-E161 IonicContact NH2-OE1 2.76Å; R48-E161 PolarHBondContact NH2-OE1 3.27Å; R48-E161 IonicContact NH2-OE2 3.42Å |
| 49 | L | 95.9 | Very high | 91 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 128.2 | 169.2 | -75.7 | 164.8 | 0 | 0 | 0 | 109.8 | I4 W5 I58 K59 | I4-L49 HydrophobicContact CG2-CD1 3.88Å; W5-L49 HydrophobicContact CB-CD2 3.73Å; W5-L49 HydrophobicContact CD2-CD2 4.23Å; W5-L49 HydrophobicContact CE3-CD2 3.85Å; W5-L49 HydrophobicContact CG-CD2 4.22Å; L49-I58 WeakPolarHBondContact CA-O 3.4Å; L49-K59 HydrophobicContact CD2-CB 3.79Å; L49-K59 HydrophobicContact CD2-CG 4.34Å |
| 50 | V | 96.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136 | 177 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | F28 I52 R57 I58 L60 T165 | F28-V50 HydrophobicContact CZ-CG2 3.74Å; V50-I52 HydrophobicContact CG1-CG2 4.45Å; V50-R57 CarbonylContact O-C 3.55Å; V50-R57 VanDerWaalsContact O-CA 3.31Å; V50-R57 WeakPolarHBondContact O-CA 3.46Å; V50-I58 PolarHBondContact N-O 3.2Å; V50-I58 PolarHBondContact O-N 2.97Å; V50-L60 HydrophobicContact CB-CD1 4.44Å; V50-L60 HydrophobicContact CG2-CD1 3.58Å; V50-L60 HydrophobicContact CG2-CG 4.09Å; V50-T165 HydrophobicContact CG1-CG2 3.69Å |
| 51 | E | 94.3 | Very high | 92.5 | Very high | 113 Ų | 113 | 54 Ų | 54 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.6 | 172.8 | -170.7 | 168.8 | -165.5 | 0 | 0 | 109.6 | E53 P54 G55 R57 | E51-E53 VanDerWaalsContact CG-O 3.24Å; E51-E53 WeakPolarHBondContact CG-O 3.49Å; E51-P54 WeakPolarHBondContact OE1-CA 3.27Å; E51-G55 PolarHBondContact OE1-N 2.8Å; E51-R57 HydrophobicContact CB-CG 4.28Å; E51-R57 HydrophobicContact CG-CG 4.31Å |
| 52 | I | 93.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -28.1 | -175.3 | 50.8 | 164.7 | 0 | 0 | 0 | 113.1 | V50 K56 I58 T168 R169 Y172 | V50-I52 HydrophobicContact CG1-CG2 4.45Å; I52-K56 HydrophobicContact CG1-CB 4.08Å; I52-K56 VanDerWaalsContact CG1-O 3.25Å; I52-K56 WeakPolarHBondContact CG1-O 3.45Å; I52-K56 PolarHBondContact N-O 2.93Å; I52-I58 HydrophobicContact CD1-CD1 3.88Å; I52-I58 HydrophobicContact CD1-CG1 3.67Å; I52-I58 HydrophobicContact CG1-CD1 4.48Å; I52-I58 HydrophobicContact CG1-CG1 3.92Å; I52-I58 HydrophobicContact CG2-CG1 4.13Å; I52-T168 HydrophobicContact CG2-CG2 3.62Å; I52-R169 PolarHBondContact O-NH2 2.79Å; I52-Y172 HydrophobicContact CD1-CD1 3.37Å; I52-Y172 HydrophobicContact CD1-CD2 3.36Å; I52-Y172 HydrophobicContact CD1-CE1 3.65Å; I52-Y172 HydrophobicContact CD1-CE2 3.66Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å |
| 53 | E | 90.4 | Very high | 94.1 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.7 | 174.6 | -62.7 | 175.5 | -172 | 0 | 0 | 106.6 | E51 G55 K56 Y172 | E51-E53 VanDerWaalsContact CG-O 3.24Å; E51-E53 WeakPolarHBondContact CG-O 3.49Å; E53-G55 PolarHBondContact O-N 3.14Å; E53-G55 VanDerWaalsContact O-N 3.16Å; E53-K56 HydrophobicContact CB-CB 4.12Å; E53-K56 HydrophobicContact CB-CD 4.14Å; E53-K56 HydrophobicContact CB-CG 4.23Å; E53-K56 PolarHBondContact O-N 2.87Å; E53-K56 VanDerWaalsContact OE2-CD 3.26Å; E53-K56 WeakPolarHBondContact OE2-CD 3.42Å; E53-K56 WeakPolarHBondContact OE2-CE 3.09Å; E53-K56 IonicContact OE2-NZ 2.93Å; E53-K56 PolarHBondContact OE2-NZ 3.16Å; E53-Y172 WeakPolarHBondContact OE1-CE1 3.32Å |
| 54 | P | 90.9 | Very high | 94.5 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 82% | 0.818 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 122.5 | 178.5 | -28.5 | 35.9 | 0 | 0 | 0 | 112.5 | E51 K56 | E51-P54 WeakPolarHBondContact OE1-CA 3.27Å; P54-K56 PolarHBondContact O-N 3.45Å |
| 55 | G | 87.4 | Confident | 94.3 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 73% | 0.732 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -4.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E51 E53 | E51-G55 PolarHBondContact OE1-N 2.8Å; E53-G55 PolarHBondContact O-N 3.14Å; E53-G55 VanDerWaalsContact O-N 3.16Å |
| 56 | K | 90.9 | Very high | 94 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 95.3 | 178.5 | -58.5 | -166.2 | -169.6 | 165.8 | 0 | 110.5 | L6 I52 E53 P54 Y172 | L6-K56 HydrophobicContact CD2-CD 4.48Å; I52-K56 HydrophobicContact CG1-CB 4.08Å; I52-K56 VanDerWaalsContact CG1-O 3.25Å; I52-K56 WeakPolarHBondContact CG1-O 3.45Å; I52-K56 PolarHBondContact N-O 2.93Å; E53-K56 HydrophobicContact CB-CB 4.12Å; E53-K56 HydrophobicContact CB-CD 4.14Å; E53-K56 HydrophobicContact CB-CG 4.23Å; E53-K56 PolarHBondContact O-N 2.87Å; E53-K56 VanDerWaalsContact OE2-CD 3.26Å; E53-K56 WeakPolarHBondContact OE2-CD 3.42Å; E53-K56 WeakPolarHBondContact OE2-CE 3.09Å; E53-K56 IonicContact OE2-NZ 2.93Å; E53-K56 PolarHBondContact OE2-NZ 3.16Å; P54-K56 PolarHBondContact O-N 3.45Å; K56-Y172 WeakPolarHBondContact CD-OH 3.4Å; K56-Y172 PolarHBondContact NZ-OH 3.24Å |
| 57 | R | 95.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 37% | 0.366 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 137.8 | 178.2 | -57.8 | 179.3 | 74.9 | -170.5 | 6.9 | 110.6 | W5 L6 V50 E51 | W5-R57 CarbonylContact C-O 3.53Å; W5-R57 VanDerWaalsContact CA-O 3.29Å; W5-R57 WeakPolarHBondContact CA-O 3.22Å; W5-R57 HydrophobicContact CB-CB 4.41Å; W5-R57 WeakPolarHBondContact CB-O 3.16Å; L6-R57 PolarHBondContact N-O 3.06Å; V50-R57 CarbonylContact O-C 3.55Å; V50-R57 VanDerWaalsContact O-CA 3.31Å; V50-R57 WeakPolarHBondContact O-CA 3.46Å; E51-R57 HydrophobicContact CB-CG 4.28Å; E51-R57 HydrophobicContact CG-CG 4.31Å |
| 58 | I | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.2 | 175.2 | -52 | -62.8 | 0 | 0 | 0 | 107.9 | L6 Y7 F9 L49 V50 I52 L60 T168 Y172 | L6-I58 HydrophobicContact CB-CD1 4.47Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 HydrophobicContact CG-CD1 4.47Å; Y7-I58 WeakPolarHBondContact O-CA 3.32Å; F9-I58 HydrophobicContact CB-CG2 4.38Å; F9-I58 HydrophobicContact CD1-CG2 4.21Å; F9-I58 HydrophobicContact CD2-CG2 3.54Å; F9-I58 HydrophobicContact CE1-CG2 4.37Å; F9-I58 HydrophobicContact CE2-CG1 4.47Å; F9-I58 HydrophobicContact CE2-CG2 3.72Å; F9-I58 HydrophobicContact CG-CG2 3.78Å; F9-I58 HydrophobicContact CZ-CD1 4.31Å; F9-I58 HydrophobicContact CZ-CG2 4.13Å; L49-I58 WeakPolarHBondContact CA-O 3.4Å; V50-I58 PolarHBondContact N-O 3.2Å; V50-I58 PolarHBondContact O-N 2.97Å; I52-I58 HydrophobicContact CD1-CD1 3.88Å; I52-I58 HydrophobicContact CD1-CG1 3.67Å; I52-I58 HydrophobicContact CG1-CD1 4.48Å; I52-I58 HydrophobicContact CG1-CG1 3.92Å; I52-I58 HydrophobicContact CG2-CG1 4.13Å; I58-L60 HydrophobicContact CG2-CD2 3.96Å; I58-T168 HydrophobicContact CB-CG2 3.98Å; I58-T168 HydrophobicContact CG1-CG2 4.05Å; I58-T168 HydrophobicContact CG2-CG2 4.01Å; I58-Y172 HydrophobicContact CD1-CD2 4.19Å |
| 59 | K | 97.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 114.9 | 171.5 | -176 | 178.1 | 176.5 | -170.2 | 0 | 109.2 | W5 Y7 Q8 F9 S47 L49 | W5-K59 HydrophobicContact CB-CB 4.27Å; W5-K59 HydrophobicContact CD2-CB 3.92Å; W5-K59 HydrophobicContact CD2-CD 4.03Å; W5-K59 HydrophobicContact CE3-CB 4.49Å; W5-K59 HydrophobicContact CE3-CD 4.24Å; W5-K59 HydrophobicContact CG-CB 3.79Å; W5-K59 HydrophobicContact CH2-CD 4.08Å; W5-K59 HydrophobicContact CZ2-CD 3.82Å; W5-K59 HydrophobicContact CZ3-CD 4.27Å; Y7-K59 PolarHBondContact O-N 3.45Å; Q8-K59 CarbonylContact C-O 3.47Å; Q8-K59 WeakPolarHBondContact CA-O 3.46Å; Q8-K59 HydrophobicContact CB-CB 4.24Å; Q8-K59 HydrophobicContact CG-CB 4.2Å; Q8-K59 HydrophobicContact CG-CD 4.3Å; Q8-K59 HydrophobicContact CG-CG 4.23Å; Q8-K59 WeakPolarHBondContact CG-O 3.34Å; F9-K59 PolarHBondContact N-O 2.95Å; S47-K59 WeakPolarHBondContact OG-CE 3.41Å; L49-K59 HydrophobicContact CD2-CB 3.79Å; L49-K59 HydrophobicContact CD2-CG 4.34Å |
| 60 | L | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.7 | 173 | -56.1 | -175.5 | 0 | 0 | 0 | 109.4 | F9 L11 F28 S47 R48 V50 I58 I62 T168 | F9-L60 HydrophobicContact CB-CD2 4.05Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; L11-L60 HydrophobicContact CD1-CB 4.29Å; L11-L60 HydrophobicContact CD1-CD1 3.93Å; L11-L60 HydrophobicContact CD1-CD2 3.93Å; L11-L60 HydrophobicContact CD1-CG 4.27Å; L11-L60 HydrophobicContact CG-CD2 4.39Å; F28-L60 HydrophobicContact CE1-CD1 4.14Å; F28-L60 HydrophobicContact CZ-CD1 4.05Å; S47-L60 WeakPolarHBondContact CA-O 3.09Å; S47-L60 PolarHBondContact OG-O 3.22Å; R48-L60 PolarHBondContact N-O 2.91Å; R48-L60 PolarHBondContact O-N 3.3Å; V50-L60 HydrophobicContact CB-CD1 4.44Å; V50-L60 HydrophobicContact CG2-CD1 3.58Å; V50-L60 HydrophobicContact CG2-CG 4.09Å; I58-L60 HydrophobicContact CG2-CD2 3.96Å; L60-I62 HydrophobicContact CB-CD1 4.29Å; L60-I62 HydrophobicContact CB-CG1 4.1Å; L60-T168 WeakPolarHBondContact CD1-OG1 3.29Å; L60-T168 HydrophobicContact CD2-CG2 3.95Å |
| 61 | Q | 97.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.9 | 163.5 | -77.4 | -166 | -28.2 | 0 | 0 | 107.7 | Q8 F9 L11 F45 | Q8-Q61 VanDerWaalsContact CD-CD 3.42Å; Q8-Q61 HydrophobicContact CG-CG 3.92Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.15Å; F9-Q61 PolarHBondContact O-N 3.29Å; L11-Q61 PolarHBondContact N-O 2.98Å; F45-Q61 HydrophobicContact CE2-CB 3.75Å; F45-Q61 HydrophobicContact CE2-CG 3.69Å; F45-Q61 HydrophobicContact CZ-CB 4.39Å; F45-Q61 HydrophobicContact CZ-CG 3.9Å |
| 62 | I | 97.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.3 | -171.7 | -55.7 | 166.2 | 0 | 0 | 0 | 108.3 | L11 V13 I25 F28 T29 F46 L60 F164 | L11-I62 HydrophobicContact CB-CG1 4.43Å; L11-I62 HydrophobicContact CD1-CG1 4.43Å; V13-I62 HydrophobicContact CG2-CG2 3.78Å; I25-I62 HydrophobicContact CD1-CG2 4.04Å; I25-I62 HydrophobicContact CG1-CG2 4.05Å; I25-I62 HydrophobicContact CG2-CG2 4.08Å; F28-I62 HydrophobicContact CD1-CD1 3.79Å; F28-I62 HydrophobicContact CE1-CD1 3.69Å; T29-I62 HydrophobicContact CG2-CD1 4.01Å; F46-I62 HydrophobicContact CB-CB 4.32Å; F46-I62 PolarHBondContact N-O 3.28Å; F46-I62 PolarHBondContact O-N 2.96Å; L60-I62 HydrophobicContact CB-CD1 4.29Å; L60-I62 HydrophobicContact CB-CG1 4.1Å; I62-F164 HydrophobicContact CD1-CD1 4.1Å; I62-F164 HydrophobicContact CD1-CE1 3.83Å; I62-F164 HydrophobicContact CG1-CE1 4.45Å; I62-F164 HydrophobicContact CG2-CE1 4.31Å |
| 63 | W | 95.2 | Very high | 88 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 109.5 | 175.4 | -63.8 | 92.1 | 0 | 0 | 0 | 109.4 | L11 I12 V13 V43 F45 Y78 | L11-W63 PolarHBondContact O-N 3.03Å; I12-W63 HydrophobicContact CG1-CB 4.25Å; V13-W63 PolarHBondContact N-O 2.94Å; V43-W63 HydrophobicContact CG1-CB 4.05Å; V43-W63 HydrophobicContact CG1-CD2 4.38Å; V43-W63 HydrophobicContact CG1-CE3 3.56Å; V43-W63 HydrophobicContact CG1-CZ3 4.39Å; F45-W63 HydrophobicContact CB-CE3 4.24Å; F45-W63 HydrophobicContact CB-CH2 4.44Å; F45-W63 HydrophobicContact CB-CZ3 4.02Å; F45-W63 HydrophobicContact CD2-CD2 4.24Å; F45-W63 AromaticContact CD2-CE2 3.92Å; F45-W63 HydrophobicContact CD2-CE3 4.37Å; F45-W63 HydrophobicContact CD2-CH2 4.1Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ3 4.32Å; F45-W63 HydrophobicContact CE2-CZ2 4.39Å; W63-Y78 AromaticContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CE1 4.38Å; W63-Y78 AromaticContact CE3-CD1 3.49Å; W63-Y78 HydrophobicContact CE3-CD1 3.49Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.49Å; W63-Y78 AromaticContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CH2-CD1 4.17Å; W63-Y78 AromaticContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CH2-CE1 3.9Å; W63-Y78 AromaticContact CZ3-CD1 3.66Å; W63-Y78 HydrophobicContact CZ3-CD1 3.66Å; W63-Y78 AromaticContact CZ3-CE1 3.31Å; W63-Y78 HydrophobicContact CZ3-CE1 3.31Å |
| 64 | D | 93 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.3 | 171.3 | -174.4 | 23.9 | 0 | 0 | 0 | 109.3 | S22 I25 V43 D44 F46 | S22-D64 WeakPolarHBondContact CA-OD2 3.44Å; S22-D64 WeakPolarHBondContact CB-OD2 3.23Å; S22-D64 PolarHBondContact OG-OD2 2.86Å; I25-D64 HydrophobicContact CD1-CB 3.41Å; I25-D64 VanDerWaalsContact CD1-CB 3.41Å; I25-D64 WeakPolarHBondContact CD1-OD1 3.3Å; V43-D64 CarbonylContact C-O 3.39Å; V43-D64 WeakPolarHBondContact CA-O 3.35Å; V43-D64 WeakPolarHBondContact CG1-O 3.5Å; D44-D64 HydrophobicContact CB-CB 4.16Å; D44-D64 PolarHBondContact N-O 3.36Å; D44-D64 PolarHBondContact O-N 2.87Å; F46-D64 HydrophobicContact CD2-CB 4.22Å; F46-D64 HydrophobicContact CE2-CB 3.82Å |
| 65 | T | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.5 | -170.5 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | I12 V13 I14 K21 G67 T75 | I12-T65 HydrophobicContact CD1-CG2 3.73Å; I12-T65 HydrophobicContact CG1-CG2 3.56Å; V13-T65 PolarHBondContact O-OG1 2.78Å; I14-T65 HydrophobicContact CG2-CG2 4.37Å; K21-T65 WeakPolarHBondContact CE-O 3.1Å; T65-G67 PolarHBondContact O-N 2.87Å; T65-T75 HydrophobicContact CG2-CG2 3.71Å |
| 66 | A | 85.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -61.4 | 129.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T40 G42 F71 T75 | T40-A66 VanDerWaalsContact O-CB 3.28Å; T40-A66 WeakPolarHBondContact O-CB 3.24Å; G42-A66 VanDerWaalsContact O-CB 3.3Å; G42-A66 WeakPolarHBondContact O-CB 3.32Å; G42-A66 PolarHBondContact O-N 2.99Å; A66-F71 HydrophobicContact CB-CB 3.62Å; A66-F71 HydrophobicContact CB-CD2 4.06Å; A66-F71 HydrophobicContact CB-CG 4.2Å; A66-T75 PolarHBondContact O-OG1 2.99Å | ||
| 67 | G | 73.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | trans | -91.4 | -2.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G15 S17 K21 T65 | G15-G67 WeakPolarHBondContact O-CA 3.42Å; S17-G67 PolarHBondContact N-O 2.8Å; S17-G67 VanDerWaalsContact N-O 3.09Å; K21-G67 VanDerWaalsContact NZ-CA 3.33Å; T65-G67 PolarHBondContact O-N 2.87Å | ||
| 68 | Q | 79.3 | Confident | 85.7 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -85.5 | 138.4 | 179.4 | -59.8 | -174.5 | 27.5 | 0 | 0 | 110.5 | R70 F71 | Q68-R70 VanDerWaalsContact C-N 3.28Å; Q68-R70 HydrophobicContact CB-CG 4.21Å; Q68-R70 PolarHBondContact O-N 2.7Å; Q68-F71 HydrophobicContact CB-CD2 3.94Å; Q68-F71 HydrophobicContact CB-CE2 4.47Å; Q68-F71 PolarHBondContact O-N 3.35Å |
| 69 | E | 74.5 | Confident | 85.2 | Confident | 170 Ų | 170 | 49.1 Ų | 49.1 | 79% | 0.794 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -54.8 | -42.4 | -179.3 | -167.5 | -161 | -178.9 | 0 | 0 | 112.7 | F71 R72 | E69-F71 PolarHBondContact O-N 2.81Å; E69-R72 HydrophobicContact CG-CG 4.5Å; E69-R72 VanDerWaalsContact O-CB 3.27Å; E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.46Å; E69-R72 PolarHBondContact O-N 3.1Å |
| 70 | R | 78.7 | Confident | 84.6 | Confident | 194 Ų | 194 | 54.3 Ų | 54.3 | 73% | 0.732 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -58.5 | -15.3 | 179.2 | 72 | -178.2 | -63.3 | 179.2 | 1.7 | 114.7 | Q68 | Q68-R70 VanDerWaalsContact C-N 3.28Å; Q68-R70 HydrophobicContact CB-CG 4.21Å; Q68-R70 PolarHBondContact O-N 2.7Å |
| 71 | F | 80.1 | Confident | 84.2 | Confident | 33 Ų | 33 | 56 Ų | 56 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -110.9 | 4.1 | 177.5 | -58.1 | -55.3 | 0 | 0 | 0 | 113.1 | V41 A66 Q68 E69 S73 I74 T75 | V41-F71 HydrophobicContact CG1-CE1 3.99Å; V41-F71 HydrophobicContact CG1-CE2 4.41Å; V41-F71 HydrophobicContact CG1-CZ 3.9Å; V41-F71 HydrophobicContact CG2-CE2 4.23Å; V41-F71 HydrophobicContact CG2-CZ 4.21Å; A66-F71 HydrophobicContact CB-CB 3.62Å; A66-F71 HydrophobicContact CB-CD2 4.06Å; A66-F71 HydrophobicContact CB-CG 4.2Å; Q68-F71 HydrophobicContact CB-CD2 3.94Å; Q68-F71 HydrophobicContact CB-CE2 4.47Å; Q68-F71 PolarHBondContact O-N 3.35Å; E69-F71 PolarHBondContact O-N 2.81Å; F71-S73 PolarHBondContact O-N 3.33Å; F71-I74 HydrophobicContact CD1-CD1 4.16Å; F71-I74 WeakPolarHBondContact O-CB 3.15Å; F71-I74 PolarHBondContact O-N 3.3Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 3.3Å |
| 72 | R | 78 | Confident | 84.1 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.1 | -36.9 | 179.8 | -81.5 | -102.4 | -177.1 | 136.6 | 3.7 | 112.8 | E69 I74 T75 R76 E102 E106 | E69-R72 HydrophobicContact CG-CG 4.5Å; E69-R72 VanDerWaalsContact O-CB 3.27Å; E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.46Å; E69-R72 PolarHBondContact O-N 3.1Å; R72-I74 VanDerWaalsContact C-N 3.3Å; R72-I74 PolarHBondContact O-N 3.47Å; R72-T75 WeakPolarHBondContact O-CB 3.26Å; R72-T75 PolarHBondContact O-N 3.16Å; R72-R76 WeakPolarHBondContact O-CG 3.35Å; R72-R76 PolarHBondContact O-N 3.31Å; R72-E102 IonicContact NH2-OE2 3.69Å; R72-E106 VanDerWaalsContact CD-OE1 3.3Å; R72-E106 WeakPolarHBondContact CD-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE2 3.22Å; R72-E106 IonicContact CZ-OE2 2.62Å; R72-E106 IonicContact NE-OE2 3.45Å; R72-E106 IonicContact NH1-OE2 3.56Å; R72-E106 PolarHBondContact NH1-OE2 3.46Å |
| 73 | S | 79.2 | Confident | 84.1 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 177.5 | 57 | 0 | 0 | 0 | 0 | 112.9 | F71 | F71-S73 PolarHBondContact O-N 3.33Å |
| 74 | I | 78.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 35% | 0.354 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -47 | 175 | -57.8 | 174.2 | 0 | 0 | 0 | 109 | V43 F71 R72 R76 A77 Y78 | V43-I74 HydrophobicContact CG2-CG2 4.26Å; F71-I74 HydrophobicContact CD1-CD1 4.16Å; F71-I74 WeakPolarHBondContact O-CB 3.15Å; F71-I74 PolarHBondContact O-N 3.3Å; R72-I74 VanDerWaalsContact C-N 3.3Å; R72-I74 PolarHBondContact O-N 3.47Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 3.02Å; I74-A77 WeakPolarHBondContact O-CB 3.31Å; I74-A77 PolarHBondContact O-N 2.9Å; I74-Y78 HydrophobicContact CG2-CE2 4.1Å; I74-Y78 WeakPolarHBondContact O-CD2 3.49Å; I74-Y78 WeakPolarHBondContact O-CE2 3.2Å |
| 75 | T | 79.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -41.1 | 178.3 | -54 | 0 | 0 | 0 | 0 | 112.4 | T65 A66 F71 R72 A77 Y78 Y79 | T65-T75 HydrophobicContact CG2-CG2 3.71Å; A66-T75 PolarHBondContact O-OG1 2.99Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 3.3Å; R72-T75 WeakPolarHBondContact O-CB 3.26Å; R72-T75 PolarHBondContact O-N 3.16Å; T75-A77 PolarHBondContact O-N 3.38Å; T75-Y78 PolarHBondContact O-N 3.49Å; T75-Y79 HydrophobicContact CG2-CE1 3.68Å; T75-Y79 VanDerWaalsContact CG2-OH 3.3Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.38Å |
| 76 | R | 82.1 | Confident | 85 | Confident | 114 Ų | 114 | 53 Ų | 53 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.4 | -32.9 | 179.5 | -76 | 171.8 | -171.1 | -172.6 | -1.4 | 114 | R72 I74 Y78 Y79 E106 | R72-R76 WeakPolarHBondContact O-CG 3.35Å; R72-R76 PolarHBondContact O-N 3.31Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 3.02Å; R76-Y78 PolarHBondContact O-N 3.42Å; R76-Y78 VanDerWaalsContact O-N 3.16Å; R76-Y79 VanDerWaalsContact CA-CD2 3.48Å; R76-Y79 HydrophobicContact CB-CD2 4.16Å; R76-Y79 HydrophobicContact CB-CE2 4.17Å; R76-Y79 HydrophobicContact CG-CD2 3.98Å; R76-Y79 HydrophobicContact CG-CE2 3.59Å; R76-Y79 PolarHBondContact O-N 2.96Å; R76-E106 VanDerWaalsContact CG-OE1 3.32Å; R76-E106 WeakPolarHBondContact CG-OE1 3.32Å; R76-E106 IonicContact CZ-OE1 2.77Å; R76-E106 IonicContact CZ-OE2 2.63Å; R76-E106 VanDerWaalsContact NE-CD 3.27Å; R76-E106 IonicContact NE-OE1 2.79Å; R76-E106 PolarHBondContact NE-OE1 2.96Å; R76-E106 IonicContact NE-OE2 3.85Å; R76-E106 PolarHBondContact NE-OE2 2.78Å; R76-E106 IonicContact NH2-OE1 3.45Å; R76-E106 IonicContact NH2-OE2 2.8Å; R76-E106 PolarHBondContact NH2-OE2 3.1Å |
| 77 | A | 82.9 | Confident | 85.6 | Confident | 78 Ų | 78 | 53 Ų | 53 | 65% | 0.645 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I74 T75 | I74-A77 WeakPolarHBondContact O-CB 3.31Å; I74-A77 PolarHBondContact O-N 2.9Å; T75-A77 PolarHBondContact O-N 3.38Å |
| 78 | Y | 83.7 | Confident | 86.7 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -5.5 | -177.2 | -62.6 | -95.4 | 0 | 0 | 0 | 113.8 | V43 W63 I74 T75 R76 S82 | V43-Y78 HydrophobicContact CB-CD2 4.12Å; V43-Y78 HydrophobicContact CB-CE1 4.29Å; V43-Y78 HydrophobicContact CB-CE2 3.86Å; V43-Y78 HydrophobicContact CB-CG 4.44Å; V43-Y78 HydrophobicContact CG1-CD1 4.06Å; V43-Y78 HydrophobicContact CG1-CD2 4.29Å; V43-Y78 HydrophobicContact CG1-CE1 4.17Å; V43-Y78 HydrophobicContact CG1-CE2 4.39Å; V43-Y78 HydrophobicContact CG1-CG 4.13Å; V43-Y78 HydrophobicContact CG2-CD2 3.48Å; V43-Y78 VanDerWaalsContact CG2-CD2 3.48Å; V43-Y78 HydrophobicContact CG2-CE2 3.49Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.49Å; V43-Y78 HydrophobicContact CG2-CG 4.09Å; W63-Y78 AromaticContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CE1 4.38Å; W63-Y78 AromaticContact CE3-CD1 3.49Å; W63-Y78 HydrophobicContact CE3-CD1 3.49Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.49Å; W63-Y78 AromaticContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CH2-CD1 4.17Å; W63-Y78 AromaticContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CH2-CE1 3.9Å; W63-Y78 AromaticContact CZ3-CD1 3.66Å; W63-Y78 HydrophobicContact CZ3-CD1 3.66Å; W63-Y78 AromaticContact CZ3-CE1 3.31Å; W63-Y78 HydrophobicContact CZ3-CE1 3.31Å; I74-Y78 HydrophobicContact CG2-CE2 4.1Å; I74-Y78 WeakPolarHBondContact O-CD2 3.49Å; I74-Y78 WeakPolarHBondContact O-CE2 3.2Å; T75-Y78 PolarHBondContact O-N 3.49Å; R76-Y78 PolarHBondContact O-N 3.42Å; R76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-S82 PolarHBondContact O-OG 3.03Å |
| 79 | Y | 86.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -46.3 | 179.4 | -66.7 | -31.9 | 0 | 0 | 0 | 113.1 | I12 I14 T75 R76 N81 S82 E106 T107 H110 V111 | I12-Y79 HydrophobicContact CD1-CD1 3.37Å; I12-Y79 HydrophobicContact CD1-CE1 3.54Å; I14-Y79 HydrophobicContact CG2-CE1 4Å; T75-Y79 HydrophobicContact CG2-CE1 3.68Å; T75-Y79 VanDerWaalsContact CG2-OH 3.3Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.38Å; R76-Y79 VanDerWaalsContact CA-CD2 3.48Å; R76-Y79 HydrophobicContact CB-CD2 4.16Å; R76-Y79 HydrophobicContact CB-CE2 4.17Å; R76-Y79 HydrophobicContact CG-CD2 3.98Å; R76-Y79 HydrophobicContact CG-CE2 3.59Å; R76-Y79 PolarHBondContact O-N 2.96Å; Y79-N81 PolarHBondContact O-N 2.95Å; Y79-S82 WeakPolarHBondContact O-CB 3.43Å; Y79-S82 PolarHBondContact O-N 2.96Å; Y79-E106 HydrophobicContact CE2-CG 3.78Å; Y79-E106 WeakPolarHBondContact CE2-OE1 3.44Å; Y79-E106 PolarHBondContact OH-OE1 3.36Å; Y79-T107 HydrophobicContact CD1-CG2 3.86Å; Y79-T107 HydrophobicContact CE1-CG2 4.26Å; Y79-T107 HydrophobicContact CG-CG2 4.27Å; Y79-H110 HydrophobicContact CD2-CB 3.65Å; Y79-H110 AromaticContact CD2-CD2 3.74Å; Y79-H110 AromaticContact CD2-CG 3.97Å; Y79-H110 HydrophobicContact CG-CB 4.06Å; Y79-V111 WeakPolarHBondContact O-CG2 3.48Å |
| 80 | R | 85.5 | Confident | 88.8 | Confident | 155 Ų | 155 | 41.9 Ų | 41.9 | 59% | 0.585 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -39.6 | -166.2 | -173 | 175.3 | -179.6 | 146 | 2.1 | 114.2 | H110 Q112 | R80-H110 VanDerWaalsContact CA-O 3.28Å; R80-H110 WeakPolarHBondContact CA-O 3.19Å; R80-Q112 PolarHBondContact O-N 3.32Å |
| 81 | N | 90.3 | Very high | 89.8 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 14.8 | -172.1 | -64.9 | -24.4 | 0 | 0 | 0 | 114.3 | R10 Y79 E187 G188 | R10-N81 WeakPolarHBondContact CB-O 3.5Å; R10-N81 VanDerWaalsContact CD-O 3.27Å; R10-N81 WeakPolarHBondContact CD-O 3.49Å; R10-N81 WeakPolarHBondContact CG-O 3.41Å; Y79-N81 PolarHBondContact O-N 2.95Å; N81-E187 HydrophobicContact CB-CB 3.97Å; N81-G188 WeakPolarHBondContact O-CA 3.29Å; N81-G188 PolarHBondContact O-N 3.12Å |
| 82 | S | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -86.9 | 129.5 | -179.1 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | R10 Y78 Y79 V111 | R10-S82 WeakPolarHBondContact O-CA 3.45Å; Y78-S82 PolarHBondContact O-OG 3.03Å; Y79-S82 WeakPolarHBondContact O-CB 3.43Å; Y79-S82 PolarHBondContact O-N 2.96Å; S82-V111 WeakPolarHBondContact O-CG1 3.3Å | ||
| 83 | V | 97.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -93.2 | -26.9 | 173.5 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | F9 R10 V117 I171 I180 W186 G188 V189 | F9-V83 HydrophobicContact CB-CG1 3.9Å; F9-V83 HydrophobicContact CG-CG1 4.3Å; R10-V83 WeakPolarHBondContact O-CG1 3.28Å; R10-V83 PolarHBondContact O-N 2.68Å; V83-V117 PolarHBondContact O-N 2.78Å; V83-I171 HydrophobicContact CG1-CD1 4.23Å; V83-I171 HydrophobicContact CG1-CG2 4.07Å; V83-I171 HydrophobicContact CG2-CG2 3.69Å; V83-I180 HydrophobicContact CG2-CD1 3.82Å; V83-I180 HydrophobicContact CG2-CG2 4.19Å; V83-W186 HydrophobicContact CB-CH2 3.97Å; V83-W186 HydrophobicContact CB-CZ2 4.07Å; V83-W186 HydrophobicContact CG2-CH2 3.83Å; V83-W186 HydrophobicContact CG2-CZ2 4.31Å; V83-G188 WeakPolarHBondContact CG1-O 3.26Å; V83-V189 HydrophobicContact CB-CG2 4.13Å; V83-V189 HydrophobicContact CG1-CG2 4.18Å; V83-V189 HydrophobicContact CG2-CG2 3.77Å |
| 84 | G | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R10 L11 I12 V117 | R10-G84 PolarHBondContact O-N 3.09Å; L11-G84 CarbonylContact C-O 3.51Å; L11-G84 VanDerWaalsContact CA-O 3.25Å; L11-G84 WeakPolarHBondContact CA-O 3.19Å; I12-G84 PolarHBondContact N-O 3.03Å; G84-V117 CarbonylContact C-O 3.51Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.47Å |
| 85 | G | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I12 V117 F118 V119 | I12-G85 CarbonylContact O-C 3.46Å; I12-G85 WeakPolarHBondContact O-CA 3.33Å; G85-V117 PolarHBondContact N-O 3.38Å; G85-F118 WeakPolarHBondContact O-CA 2.83Å; G85-F118 WeakPolarHBondContact O-CD1 3.27Å; G85-V119 PolarHBondContact O-N 3.11Å; G85-V119 VanDerWaalsContact O-N 3.1Å |
| 86 | L | 98.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.1 | 161.2 | -62.1 | -177.3 | 0 | 0 | 0 | 108.2 | I12 V13 I14 L24 L88 V119 V121 F164 L167 | I12-L86 PolarHBondContact O-N 2.86Å; V13-L86 HydrophobicContact CG1-CB 4.32Å; V13-L86 HydrophobicContact CG2-CB 4.38Å; I14-L86 PolarHBondContact N-O 3.24Å; L24-L86 HydrophobicContact CD2-CD1 4.27Å; L86-L88 HydrophobicContact CB-CD1 3.48Å; L86-L88 VanDerWaalsContact CB-CD1 3.48Å; L86-V119 HydrophobicContact CD2-CB 3.86Å; L86-V119 HydrophobicContact CD2-CG1 4.41Å; L86-V121 HydrophobicContact CB-CG2 4.3Å; L86-V121 HydrophobicContact CD2-CG2 4.03Å; L86-F164 HydrophobicContact CD1-CD1 3.85Å; L86-F164 HydrophobicContact CD1-CD2 4.12Å; L86-F164 HydrophobicContact CD1-CE1 3.48Å; L86-F164 VanDerWaalsContact CD1-CE1 3.48Å; L86-F164 HydrophobicContact CD1-CE2 3.77Å; L86-F164 HydrophobicContact CD1-CG 4.16Å; L86-F164 HydrophobicContact CD1-CZ 3.44Å; L86-F164 VanDerWaalsContact CD1-CZ 3.44Å; L86-F164 HydrophobicContact CG-CE1 4.48Å; L86-L167 HydrophobicContact CD2-CB 4.4Å; L86-L167 HydrophobicContact CD2-CD2 3.78Å; L86-L167 HydrophobicContact CG-CD2 4.09Å |
| 87 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104 | 178.2 | 177.7 | 53.8 | 0 | 0 | 0 | 108.5 | I14 V100 W103 L104 F118 V119 L120 V121 M147 | I14-L87 HydrophobicContact CD1-CD1 3.88Å; I14-L87 HydrophobicContact CG1-CB 4.41Å; I14-L87 HydrophobicContact CG1-CD1 3.75Å; L87-V100 HydrophobicContact CD2-CG1 3.55Å; L87-V100 HydrophobicContact CG-CG1 3.95Å; L87-W103 HydrophobicContact CD1-CB 3.55Å; L87-W103 HydrophobicContact CD1-CG 4.37Å; L87-L104 HydrophobicContact CD2-CB 3.9Å; L87-L104 HydrophobicContact CD2-CD1 4.22Å; L87-F118 HydrophobicContact CB-CD1 3.98Å; L87-F118 HydrophobicContact CB-CE1 4.29Å; L87-V119 PolarHBondContact N-O 3.4Å; L87-L120 HydrophobicContact CD2-CD1 4.42Å; L87-L120 HydrophobicContact CG-CD1 4.15Å; L87-V121 PolarHBondContact O-N 3.2Å; L87-M147 HydrophobicContact CD2-CE 4.37Å |
| 88 | L | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 139.1 | -170.4 | -83.4 | 65.3 | 0 | 0 | 0 | 112 | V13 I14 G15 V19 K21 L24 L86 V121 | V13-L88 HydrophobicContact CG1-CD1 3.7Å; V13-L88 HydrophobicContact CG1-CD2 4.09Å; I14-L88 PolarHBondContact O-N 3.19Å; G15-L88 WeakPolarHBondContact CA-O 3.39Å; V19-L88 HydrophobicContact CG2-CB 3.81Å; K21-L88 HydrophobicContact CB-CD2 4.31Å; K21-L88 HydrophobicContact CG-CB 4.42Å; K21-L88 HydrophobicContact CG-CD2 3.94Å; L24-L88 HydrophobicContact CB-CD2 4.4Å; L24-L88 HydrophobicContact CD2-CD1 4.36Å; L24-L88 HydrophobicContact CD2-CD2 3.79Å; L24-L88 HydrophobicContact CD2-CG 4.37Å; L86-L88 HydrophobicContact CB-CD1 3.48Å; L86-L88 VanDerWaalsContact CB-CD1 3.48Å; L88-V121 WeakPolarHBondContact CA-O 3.42Å; L88-V121 HydrophobicContact CD1-CB 3.84Å; L88-V121 HydrophobicContact CD1-CG1 4.33Å; L88-V121 HydrophobicContact CD1-CG2 4.12Å; L88-V121 HydrophobicContact CG-CB 3.86Å; L88-V121 HydrophobicContact CG-CG1 4.02Å |
| 89 | F | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 164.4 | 158.8 | 71.4 | -87.2 | 0 | 0 | 0 | 109.6 | I91 F97 V100 L120 V121 H123 V133 A138 Y149 | F89-I91 HydrophobicContact CE2-CG2 3.98Å; F89-F97 HydrophobicContact CB-CB 4.35Å; F89-F97 AromaticContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CB 3.78Å; F89-F97 AromaticContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CG 4.34Å; F89-F97 AromaticContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CE2 4.31Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; F89-F97 AromaticContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CG 4.43Å; F89-F97 HydrophobicContact CG-CB 4.09Å; F89-F97 HydrophobicContact CG-CD2 4.04Å; F89-F97 AromaticContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CE2 4.29Å; F89-V100 HydrophobicContact CB-CG2 3.96Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; F89-L120 HydrophobicContact CD1-CD1 3.95Å; F89-L120 HydrophobicContact CD1-CG 4.24Å; F89-L120 HydrophobicContact CE1-CD1 4.1Å; F89-L120 HydrophobicContact CE1-CD2 4.01Å; F89-L120 HydrophobicContact CE1-CG 3.88Å; F89-V121 WeakPolarHBondContact CD1-O 3.27Å; F89-V121 PolarHBondContact N-O 3.24Å; F89-H123 WeakPolarHBondContact O-CB 3.37Å; F89-H123 PolarHBondContact O-N 3.25Å; F89-V133 HydrophobicContact CE2-CB 4.05Å; F89-V133 HydrophobicContact CE2-CG1 3.91Å; F89-V133 HydrophobicContact CE2-CG2 4.37Å; F89-V133 HydrophobicContact CZ-CG1 4.3Å; F89-A138 HydrophobicContact CE1-CB 4.21Å; F89-A138 HydrophobicContact CZ-CB 3.69Å; F89-Y149 AromaticContact CE1-CE2 3.73Å; F89-Y149 HydrophobicContact CE1-CE2 3.73Å; F89-Y149 AromaticContact CZ-CE2 3.75Å; F89-Y149 HydrophobicContact CZ-CE2 3.75Å |
| 90 | D | 98.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.2 | 175.5 | 173 | -5.9 | 0 | 0 | 0 | 109.3 | V19 T92 N93 S96 K124 | V19-D90 HydrophobicContact CB-CB 4.21Å; V19-D90 HydrophobicContact CG1-CB 4.21Å; D90-T92 VanDerWaalsContact CG-OG1 3.23Å; D90-T92 PolarHBondContact O-N 2.92Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 WeakPolarHBondContact OD1-CB 3.3Å; D90-T92 PolarHBondContact OD1-N 3.17Å; D90-T92 PolarHBondContact OD1-OG1 3.18Å; D90-T92 PolarHBondContact OD2-OG1 3.39Å; D90-N93 HydrophobicContact CB-CB 4.04Å; D90-N93 CarbonylContact O-C 3.49Å; D90-N93 PolarHBondContact O-N 3.05Å; D90-S96 PolarHBondContact N-OG 2.9Å; D90-S96 PolarHBondContact O-OG 2.82Å; D90-K124 WeakPolarHBondContact OD2-CD 3.24Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.4Å; D90-K124 IonicContact OD2-NZ 3.79Å; D90-K124 PolarHBondContact OD2-NZ 3.25Å |
| 91 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | -176.7 | 65.9 | 147.9 | 0 | 0 | 0 | 113.1 | F89 H123 K124 C125 R131 Q132 V133 | F89-I91 HydrophobicContact CE2-CG2 3.98Å; I91-H123 WeakPolarHBondContact CG1-O 3.3Å; I91-H123 PolarHBondContact N-O 3Å; I91-K124 WeakPolarHBondContact CG1-O 3.23Å; I91-C125 HydrophobicContact CD1-CB 4.43Å; I91-R131 HydrophobicContact CD1-CB 4.25Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; I91-Q132 PolarHBondContact O-N 2.9Å; I91-V133 PolarHBondContact O-N 3.31Å; I91-V133 VanDerWaalsContact O-N 3.12Å |
| 92 | T | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 13% | 0.129 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.2 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | D90 L127 Q130 Q132 | D90-T92 VanDerWaalsContact CG-OG1 3.23Å; D90-T92 PolarHBondContact O-N 2.92Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 WeakPolarHBondContact OD1-CB 3.3Å; D90-T92 PolarHBondContact OD1-N 3.17Å; D90-T92 PolarHBondContact OD1-OG1 3.18Å; D90-T92 PolarHBondContact OD2-OG1 3.39Å; T92-L127 HydrophobicContact CG2-CB 3.58Å; T92-L127 HydrophobicContact CG2-CD1 4.12Å; T92-Q130 WeakPolarHBondContact CA-O 3.5Å; T92-Q130 HydrophobicContact CG2-CB 3.85Å; T92-Q132 VanDerWaalsContact O-CG 3.27Å; T92-Q132 WeakPolarHBondContact O-CG 3.47Å; T92-Q132 PolarHBondContact O-NE2 3.3Å; T92-Q132 PolarHBondContact O-OE1 3.34Å |
| 93 | N | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 33.9 Ų | 33.9 | 27% | 0.267 | 15% | 0.151 | S | C | . | . | trans | -131.1 | 96.3 | -177.1 | -179.8 | -12.7 | 0 | 0 | 0 | 110.7 | D90 R95 S96 | D90-N93 HydrophobicContact CB-CB 4.04Å; D90-N93 CarbonylContact O-C 3.49Å; D90-N93 PolarHBondContact O-N 3.05Å; N93-R95 PolarHBondContact O-N 3.19Å; N93-R95 WeakPolarHBondContact OD1-CB 3.14Å; N93-R95 PolarHBondContact OD1-N 3.2Å; N93-R95 VanDerWaalsContact OD1-N 3.09Å; N93-S96 PolarHBondContact O-N 3.18Å; N93-S96 VanDerWaalsContact O-N 3.1Å; N93-S96 PolarHBondContact O-OG 2.8Å; N93-S96 PolarHBondContact OD1-N 3.41Å | ||
| 94 | R | 98.5 | Very high | 97.7 | Very high | 85 Ų | 85 | 33.8 Ų | 33.8 | 32% | 0.321 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.2 | -30.7 | -179.3 | 178.9 | 160.7 | -76.2 | -103.3 | -1.7 | 113.9 | S96 F97 Q98 Q132 V133 E137 | R94-S96 VanDerWaalsContact C-N 3.34Å; R94-S96 PolarHBondContact O-N 2.73Å; R94-F97 WeakPolarHBondContact O-CB 3.34Å; R94-F97 PolarHBondContact O-N 2.89Å; R94-Q98 HydrophobicContact CG-CG 4.5Å; R94-Q98 WeakPolarHBondContact O-CG 3.29Å; R94-Q98 PolarHBondContact O-N 2.96Å; R94-Q132 HydrophobicContact CB-CB 4.11Å; R94-Q132 VanDerWaalsContact CZ-O 3.28Å; R94-Q132 VanDerWaalsContact N-OE1 3.08Å; R94-Q132 PolarHBondContact NE-O 2.94Å; R94-Q132 PolarHBondContact NH2-O 3.46Å; R94-V133 HydrophobicContact CB-CG2 4.28Å; R94-E137 IonicContact CZ-OE1 3.02Å; R94-E137 IonicContact CZ-OE2 2.7Å; R94-E137 IonicContact NH1-OE1 3.63Å; R94-E137 PolarHBondContact NH1-OE1 3.02Å; R94-E137 IonicContact NH2-OE1 2.69Å; R94-E137 PolarHBondContact NH2-OE1 3.11Å; R94-E137 IonicContact NH2-OE2 3.94Å; R94-E137 PolarHBondContact NH2-OE2 2.9Å |
| 95 | R | 98.2 | Very high | 97.5 | Very high | 173 Ų | 173 | 37.2 Ų | 37.2 | 65% | 0.653 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -63.2 | -41.9 | 177.1 | -175.2 | -179.9 | -179.4 | -178.4 | -1.3 | 111.4 | N93 F97 Q98 N99 | N93-R95 PolarHBondContact O-N 3.19Å; N93-R95 WeakPolarHBondContact OD1-CB 3.14Å; N93-R95 PolarHBondContact OD1-N 3.2Å; N93-R95 VanDerWaalsContact OD1-N 3.09Å; R95-F97 PolarHBondContact O-N 3.44Å; R95-Q98 PolarHBondContact O-N 3Å; R95-Q98 VanDerWaalsContact O-N 3.11Å; R95-N99 PolarHBondContact O-N 2.77Å |
| 96 | S | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -30.3 | 178.1 | 74 | 0 | 0 | 0 | 0 | 113 | D16 D90 N93 R94 | D16-S96 WeakPolarHBondContact OD2-CA 3.35Å; D90-S96 PolarHBondContact N-OG 2.9Å; D90-S96 PolarHBondContact O-OG 2.82Å; N93-S96 PolarHBondContact O-N 3.18Å; N93-S96 VanDerWaalsContact O-N 3.1Å; N93-S96 PolarHBondContact O-OG 2.8Å; N93-S96 PolarHBondContact OD1-N 3.41Å; R94-S96 VanDerWaalsContact C-N 3.34Å; R94-S96 PolarHBondContact O-N 2.73Å |
| 97 | F | 98.7 | Very high | 97 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.101 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.6 | -40.7 | 173.1 | 175.1 | -106.1 | 0 | 0 | 0 | 112.5 | F89 R94 R95 N99 V100 V133 E137 A138 L141 | F89-F97 HydrophobicContact CB-CB 4.35Å; F89-F97 AromaticContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CB 3.78Å; F89-F97 AromaticContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CG 4.34Å; F89-F97 AromaticContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CE2 4.31Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; F89-F97 AromaticContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CG 4.43Å; F89-F97 HydrophobicContact CG-CB 4.09Å; F89-F97 HydrophobicContact CG-CD2 4.04Å; F89-F97 AromaticContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CE2 4.29Å; R94-F97 WeakPolarHBondContact O-CB 3.34Å; R94-F97 PolarHBondContact O-N 2.89Å; R95-F97 PolarHBondContact O-N 3.44Å; F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.02Å; F97-V100 VanDerWaalsContact O-CB 3.24Å; F97-V100 WeakPolarHBondContact O-CB 3.25Å; F97-V100 VanDerWaalsContact O-CG2 3.23Å; F97-V100 WeakPolarHBondContact O-CG2 3.5Å; F97-V100 PolarHBondContact O-N 3.28Å; F97-V133 HydrophobicContact CB-CG1 4.36Å; F97-V133 HydrophobicContact CB-CG2 3.68Å; F97-V133 HydrophobicContact CD1-CG1 3.98Å; F97-V133 HydrophobicContact CD1-CG2 4.22Å; F97-V133 HydrophobicContact CD2-CG1 3.86Å; F97-V133 HydrophobicContact CE1-CG1 4.18Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.8Å; F97-V133 HydrophobicContact CG-CG2 3.97Å; F97-V133 HydrophobicContact CZ-CG1 4.21Å; F97-E137 HydrophobicContact CE1-CB 4.46Å; F97-E137 HydrophobicContact CZ-CB 4.29Å; F97-A138 HydrophobicContact CE2-CB 4.1Å; F97-L141 HydrophobicContact CD2-CD2 4.06Å; F97-L141 HydrophobicContact CE1-CD2 4.46Å; F97-L141 HydrophobicContact CE2-CB 4.01Å; F97-L141 HydrophobicContact CE2-CD2 3.36Å; F97-L141 HydrophobicContact CE2-CG 4.3Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.61Å; F97-L141 HydrophobicContact CZ-CG 4.26Å |
| 98 | Q | 98.3 | Very high | 96.7 | Very high | 124 Ų | 124 | 41.9 Ų | 41.9 | 58% | 0.579 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.1 | -37 | 176.1 | -70.6 | 169 | -30 | 0 | 0 | 111.9 | R94 R95 V100 | R94-Q98 HydrophobicContact CG-CG 4.5Å; R94-Q98 WeakPolarHBondContact O-CG 3.29Å; R94-Q98 PolarHBondContact O-N 2.96Å; R95-Q98 PolarHBondContact O-N 3Å; R95-Q98 VanDerWaalsContact O-N 3.11Å; Q98-V100 PolarHBondContact O-N 2.66Å |
| 99 | N | 97.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.7 | 179.7 | -66.7 | -7.5 | 0 | 0 | 0 | 114 | D16 R95 F97 H101 E102 W103 | D16-N99 WeakPolarHBondContact OD1-CB 3.31Å; D16-N99 PolarHBondContact OD1-ND2 3.16Å; D16-N99 PolarHBondContact OD2-ND2 2.8Å; R95-N99 PolarHBondContact O-N 2.77Å; F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.02Å; N99-H101 PolarHBondContact O-N 3.31Å; N99-E102 PolarHBondContact O-N 2.84Å; N99-E102 VanDerWaalsContact O-N 3.1Å; N99-W103 VanDerWaalsContact O-CD1 3.3Å; N99-W103 PolarHBondContact O-N 3.1Å |
| 100 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.6 | -40.4 | 178.7 | 166.5 | 0 | 0 | 0 | 0 | 111.7 | L87 F89 F97 Q98 E102 W103 L104 L120 L141 | L87-V100 HydrophobicContact CD2-CG1 3.55Å; L87-V100 HydrophobicContact CG-CG1 3.95Å; F89-V100 HydrophobicContact CB-CG2 3.96Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.24Å; F97-V100 WeakPolarHBondContact O-CB 3.25Å; F97-V100 VanDerWaalsContact O-CG2 3.23Å; F97-V100 WeakPolarHBondContact O-CG2 3.5Å; F97-V100 PolarHBondContact O-N 3.28Å; Q98-V100 PolarHBondContact O-N 2.66Å; V100-E102 PolarHBondContact O-N 3.4Å; V100-W103 PolarHBondContact O-N 3.23Å; V100-L104 WeakPolarHBondContact O-CB 3.34Å; V100-L104 PolarHBondContact O-N 3.1Å; V100-L120 HydrophobicContact CG1-CD1 3.69Å; V100-L120 HydrophobicContact CG2-CD1 4.16Å; V100-L141 HydrophobicContact CB-CD2 4.09Å; V100-L141 HydrophobicContact CG1-CD2 3.78Å |
| 101 | H | 96.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 43% | 0.426 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 178.7 | 175.9 | 67.4 | 0 | 0 | 0 | 112 | N99 W103 L104 E105 Y145 | N99-H101 PolarHBondContact O-N 3.31Å; H101-W103 PolarHBondContact O-N 3.01Å; H101-L104 WeakPolarHBondContact O-CB 3.25Å; H101-L104 PolarHBondContact O-N 2.93Å; H101-E105 VanDerWaalsContact CE1-CG 3.43Å; H101-E105 WeakPolarHBondContact CE1-CG 3.41Å; H101-E105 WeakPolarHBondContact O-CG 3.37Å; H101-E105 PolarHBondContact O-N 3.41Å; H101-Y145 AromaticContact ND1-CZ 3.76Å; H101-Y145 PolarHBondContact ND1-OH 3.47Å |
| 102 | E | 94.6 | Very high | 95.3 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | -178.8 | -61.4 | 179.3 | -178 | 0 | 0 | 112 | R72 N99 V100 L104 E106 | R72-E102 IonicContact NH2-OE2 3.69Å; N99-E102 PolarHBondContact O-N 2.84Å; N99-E102 VanDerWaalsContact O-N 3.1Å; V100-E102 PolarHBondContact O-N 3.4Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-E106 VanDerWaalsContact O-CB 3.23Å; E102-E106 WeakPolarHBondContact O-CB 3.34Å; E102-E106 PolarHBondContact O-N 3.38Å |
| 103 | W | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.1 | -75.9 | 107.8 | 0 | 0 | 0 | 112.3 | I14 G15 D16 L87 N99 V100 H101 T107 | I14-W103 HydrophobicContact CB-CE3 4.07Å; I14-W103 HydrophobicContact CD1-CB 4.24Å; G15-W103 VanDerWaalsContact O-CZ2 3.27Å; G15-W103 WeakPolarHBondContact O-CZ2 3.24Å; D16-W103 PolarHBondContact OD1-NE1 3.26Å; L87-W103 HydrophobicContact CD1-CB 3.55Å; L87-W103 HydrophobicContact CD1-CG 4.37Å; N99-W103 VanDerWaalsContact O-CD1 3.3Å; N99-W103 PolarHBondContact O-N 3.1Å; V100-W103 PolarHBondContact O-N 3.23Å; H101-W103 PolarHBondContact O-N 3.01Å; W103-T107 WeakPolarHBondContact O-CB 3.27Å; W103-T107 PolarHBondContact O-N 3.42Å; W103-T107 VanDerWaalsContact O-N 3.16Å; W103-T107 PolarHBondContact O-OG1 3.06Å |
| 104 | L | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -53.6 | 178.1 | -179.7 | 62.3 | 0 | 0 | 0 | 111.5 | L87 V100 H101 E102 T107 K108 F118 Y145 M147 | L87-L104 HydrophobicContact CD2-CB 3.9Å; L87-L104 HydrophobicContact CD2-CD1 4.22Å; V100-L104 WeakPolarHBondContact O-CB 3.34Å; V100-L104 PolarHBondContact O-N 3.1Å; H101-L104 WeakPolarHBondContact O-CB 3.25Å; H101-L104 PolarHBondContact O-N 2.93Å; E102-L104 VanDerWaalsContact C-N 3.34Å; L104-T107 PolarHBondContact O-N 3Å; L104-K108 HydrophobicContact CD1-CD 4.32Å; L104-K108 HydrophobicContact CD1-CG 4.41Å; L104-K108 HydrophobicContact CG-CD 4.25Å; L104-K108 WeakPolarHBondContact O-CG 3.5Å; L104-K108 PolarHBondContact O-N 3.45Å; L104-F118 HydrophobicContact CD1-CD2 3.45Å; L104-F118 VanDerWaalsContact CD1-CD2 3.45Å; L104-F118 HydrophobicContact CD1-CE2 3.46Å; L104-F118 VanDerWaalsContact CD1-CE2 3.46Å; L104-F118 HydrophobicContact CD1-CG 4.23Å; L104-F118 HydrophobicContact CD1-CZ 4.28Å; L104-Y145 HydrophobicContact CD2-CD1 3.37Å; L104-Y145 HydrophobicContact CD2-CD2 3.78Å; L104-Y145 HydrophobicContact CD2-CE1 3.61Å; L104-Y145 HydrophobicContact CD2-CE2 3.99Å; L104-Y145 HydrophobicContact CD2-CG 3.47Å; L104-Y145 VanDerWaalsContact CD2-CG 3.47Å; L104-M147 HydrophobicContact CD1-CE 3.88Å; L104-M147 HydrophobicContact CD2-CE 3.71Å; L104-M147 HydrophobicContact CG-CE 4.43Å |
| 105 | E | 94.1 | Very high | 94.5 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | -177.3 | -68.5 | -53 | 126.3 | 0 | 0 | 111.5 | H101 T107 K108 V109 | H101-E105 VanDerWaalsContact CE1-CG 3.43Å; H101-E105 WeakPolarHBondContact CE1-CG 3.41Å; H101-E105 WeakPolarHBondContact O-CG 3.37Å; H101-E105 PolarHBondContact O-N 3.41Å; E105-T107 VanDerWaalsContact C-N 3.28Å; E105-T107 PolarHBondContact O-N 2.91Å; E105-K108 PolarHBondContact O-N 3.31Å; E105-K108 IonicContact OE1-NZ 2.81Å; E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.84Å; E105-V109 VanDerWaalsContact O-N 3.09Å |
| 106 | E | 91.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 175.6 | -176.7 | 172.2 | 134.1 | 0 | 0 | 111 | R72 R76 Y79 E102 H110 | R72-E106 VanDerWaalsContact CD-OE1 3.3Å; R72-E106 WeakPolarHBondContact CD-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE2 3.22Å; R72-E106 IonicContact CZ-OE2 2.62Å; R72-E106 IonicContact NE-OE2 3.45Å; R72-E106 IonicContact NH1-OE2 3.56Å; R72-E106 PolarHBondContact NH1-OE2 3.46Å; R76-E106 VanDerWaalsContact CG-OE1 3.32Å; R76-E106 WeakPolarHBondContact CG-OE1 3.32Å; R76-E106 IonicContact CZ-OE1 2.77Å; R76-E106 IonicContact CZ-OE2 2.63Å; R76-E106 VanDerWaalsContact NE-CD 3.27Å; R76-E106 IonicContact NE-OE1 2.79Å; R76-E106 PolarHBondContact NE-OE1 2.96Å; R76-E106 IonicContact NE-OE2 3.85Å; R76-E106 PolarHBondContact NE-OE2 2.78Å; R76-E106 IonicContact NH2-OE1 3.45Å; R76-E106 IonicContact NH2-OE2 2.8Å; R76-E106 PolarHBondContact NH2-OE2 3.1Å; Y79-E106 HydrophobicContact CE2-CG 3.78Å; Y79-E106 WeakPolarHBondContact CE2-OE1 3.44Å; Y79-E106 PolarHBondContact OH-OE1 3.36Å; E102-E106 VanDerWaalsContact O-CB 3.23Å; E102-E106 WeakPolarHBondContact O-CB 3.34Å; E102-E106 PolarHBondContact O-N 3.38Å; E106-H110 PolarHBondContact O-CD2 3.48Å |
| 107 | T | 92.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -45.6 | -179.6 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | I14 Y79 W103 L104 E105 V109 H110 V111 I116 F118 | I14-T107 HydrophobicContact CD1-CG2 4.42Å; I14-T107 WeakPolarHBondContact CD1-OG1 3.41Å; Y79-T107 HydrophobicContact CD1-CG2 3.86Å; Y79-T107 HydrophobicContact CE1-CG2 4.26Å; Y79-T107 HydrophobicContact CG-CG2 4.27Å; W103-T107 WeakPolarHBondContact O-CB 3.27Å; W103-T107 PolarHBondContact O-N 3.42Å; W103-T107 VanDerWaalsContact O-N 3.16Å; W103-T107 PolarHBondContact O-OG1 3.06Å; L104-T107 PolarHBondContact O-N 3Å; E105-T107 VanDerWaalsContact C-N 3.28Å; E105-T107 PolarHBondContact O-N 2.91Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 3.25Å; T107-H110 PolarHBondContact O-N 2.72Å; T107-V111 HydrophobicContact CG2-CG2 3.73Å; T107-V111 VanDerWaalsContact O-CG2 3.24Å; T107-V111 WeakPolarHBondContact O-CG2 3.34Å; T107-V111 PolarHBondContact O-N 2.89Å; T107-I116 HydrophobicContact CG2-CD1 3.95Å; T107-I116 HydrophobicContact CG2-CG2 4.37Å; T107-F118 HydrophobicContact CG2-CE2 4.37Å; T107-F118 HydrophobicContact CG2-CZ 3.68Å |
| 108 | K | 92.7 | Very high | 94.4 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | -179.9 | -79 | 179.6 | 175 | 173.4 | 0 | 113.1 | L104 E105 H110 | L104-K108 HydrophobicContact CD1-CD 4.32Å; L104-K108 HydrophobicContact CD1-CG 4.41Å; L104-K108 HydrophobicContact CG-CD 4.25Å; L104-K108 WeakPolarHBondContact O-CG 3.5Å; L104-K108 PolarHBondContact O-N 3.45Å; E105-K108 PolarHBondContact O-N 3.31Å; E105-K108 IonicContact OE1-NZ 2.81Å; K108-H110 PolarHBondContact O-N 2.63Å |
| 109 | V | 91.9 | Very high | 94.4 | Very high | 102 Ų | 102 | 48.7 Ų | 48.7 | 62% | 0.618 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.6 | -27.6 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | E105 T107 | E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.84Å; E105-V109 VanDerWaalsContact O-N 3.09Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 3.25Å |
| 110 | H | 90.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 32% | 0.324 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -102.3 | -19 | -173.8 | -70.7 | -60.7 | 0 | 0 | 0 | 114.7 | Y79 R80 E106 T107 K108 | Y79-H110 HydrophobicContact CD2-CB 3.65Å; Y79-H110 AromaticContact CD2-CD2 3.74Å; Y79-H110 AromaticContact CD2-CG 3.97Å; Y79-H110 HydrophobicContact CG-CB 4.06Å; R80-H110 VanDerWaalsContact CA-O 3.28Å; R80-H110 WeakPolarHBondContact CA-O 3.19Å; E106-H110 PolarHBondContact O-CD2 3.48Å; T107-H110 PolarHBondContact O-N 2.72Å; K108-H110 PolarHBondContact O-N 2.63Å |
| 111 | V | 92 | Very high | 94.5 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | trans | -76.9 | 132.5 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | Y79 S82 T107 Y114 I116 | Y79-V111 WeakPolarHBondContact O-CG2 3.48Å; S82-V111 WeakPolarHBondContact O-CG1 3.3Å; T107-V111 HydrophobicContact CG2-CG2 3.73Å; T107-V111 VanDerWaalsContact O-CG2 3.24Å; T107-V111 WeakPolarHBondContact O-CG2 3.34Å; T107-V111 PolarHBondContact O-N 2.89Å; V111-Y114 WeakPolarHBondContact CG1-O 3.13Å; V111-I116 HydrophobicContact CB-CB 4.39Å; V111-I116 HydrophobicContact CB-CG2 4.46Å; V111-I116 HydrophobicContact CG1-CB 4.16Å; V111-I116 HydrophobicContact CG2-CB 4.03Å; V111-I116 HydrophobicContact CG2-CD1 4.14Å; V111-I116 HydrophobicContact CG2-CG2 4.02Å | ||
| 112 | Q | 90.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 42.9 Ų | 42.9 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | trans | -145 | 154.5 | 172.2 | -67.5 | -174.9 | -6.1 | 0 | 0 | 109.3 | R80 W186 | R80-Q112 PolarHBondContact O-N 3.32Å; Q112-W186 PolarHBondContact O-NE1 3.46Å | ||
| 113 | P | 93.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 38.3 Ų | 38.3 | 43% | 0.429 | 19% | 0.191 | S | C | . | . | S | Bend | cis | -91.4 | -10.3 | 2.1 | 34.7 | -31.5 | 0 | 0 | 0 | 113.8 | W186 | P113-W186 VanDerWaalsContact CD-NE1 3.32Å; P113-W186 HydrophobicContact CG-CD2 4.35Å; P113-W186 HydrophobicContact CG-CG 4.35Å |
| 114 | Y | 92.8 | Very high | 95 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -103.4 | 156.1 | -179.4 | -60.8 | -76.4 | 0 | 0 | 0 | 111.7 | V111 I116 E179 I180 T181 Q183 W186 | V111-Y114 WeakPolarHBondContact CG1-O 3.13Å; Y114-I116 PolarHBondContact O-N 2.9Å; Y114-E179 WeakPolarHBondContact CE1-O 3.21Å; Y114-I180 HydrophobicContact CD1-CG1 4.26Å; Y114-I180 HydrophobicContact CD2-CG2 4.04Å; Y114-I180 HydrophobicContact CE2-CG2 4.13Å; Y114-I180 HydrophobicContact CG-CG1 4.2Å; Y114-I180 HydrophobicContact CG-CG2 4.42Å; Y114-T181 WeakPolarHBondContact CE2-O 3.46Å; Y114-T181 PolarHBondContact OH-N 2.66Å; Y114-T181 VanDerWaalsContact OH-N 3.12Å; Y114-T181 PolarHBondContact OH-O 2.85Å; Y114-T181 PolarHBondContact OH-OG1 2.96Å; Y114-Q183 HydrophobicContact CE2-CG 4.31Å; Y114-Q183 PolarHBondContact OH-NE2 2.96Å; Y114-W186 HydrophobicContact CD2-CE3 4.2Å; Y114-W186 AromaticContact CD2-CH2 3.46Å; Y114-W186 HydrophobicContact CD2-CH2 3.46Å; Y114-W186 VanDerWaalsContact CD2-CH2 3.46Å; Y114-W186 AromaticContact CD2-CZ2 3.87Å; Y114-W186 HydrophobicContact CD2-CZ2 3.87Å; Y114-W186 AromaticContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CE2-CE3 4.14Å; Y114-W186 HydrophobicContact CE2-CH2 4.06Å; Y114-W186 AromaticContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CG-CH2 4.45Å |
| 115 | Q | 93.1 | Very high | 95.1 | Very high | 168 Ų | 168 | 41.3 Ų | 41.3 | 79% | 0.785 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -64.1 | 132.8 | 165.2 | -76.7 | -179.5 | 81.6 | 0 | 0 | 109.8 | ||
| 116 | I | 95.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 136.3 | 175.6 | -177.9 | 166.5 | 0 | 0 | 0 | 110.9 | I12 T107 V111 Y114 F118 | I12-I116 HydrophobicContact CG2-CD1 3.87Å; T107-I116 HydrophobicContact CG2-CD1 3.95Å; T107-I116 HydrophobicContact CG2-CG2 4.37Å; V111-I116 HydrophobicContact CB-CB 4.39Å; V111-I116 HydrophobicContact CB-CG2 4.46Å; V111-I116 HydrophobicContact CG1-CB 4.16Å; V111-I116 HydrophobicContact CG2-CB 4.03Å; V111-I116 HydrophobicContact CG2-CD1 4.14Å; V111-I116 HydrophobicContact CG2-CG2 4.02Å; Y114-I116 PolarHBondContact O-N 2.9Å; I116-F118 HydrophobicContact CB-CE2 4.24Å; I116-F118 HydrophobicContact CD1-CE1 4.13Å; I116-F118 HydrophobicContact CD1-CE2 4.23Å; I116-F118 HydrophobicContact CD1-CZ 3.8Å; I116-F118 HydrophobicContact CG1-CD2 4.45Å; I116-F118 HydrophobicContact CG1-CE2 4.15Å; I116-F118 HydrophobicContact CG1-CZ 4.19Å; I116-F118 HydrophobicContact CG2-CD2 3.78Å; I116-F118 HydrophobicContact CG2-CE2 3.18Å; I116-F118 HydrophobicContact CG2-CZ 3.82Å |
| 117 | V | 97.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.1 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | V83 G84 G85 L167 D170 I171 L174 I180 | V83-V117 PolarHBondContact O-N 2.78Å; G84-V117 CarbonylContact C-O 3.51Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.47Å; G85-V117 PolarHBondContact N-O 3.38Å; V117-L167 HydrophobicContact CB-CD1 4.09Å; V117-L167 HydrophobicContact CG1-CD1 3.83Å; V117-L167 WeakPolarHBondContact O-CD1 3.28Å; V117-D170 HydrophobicContact CG1-CB 4.1Å; V117-I171 HydrophobicContact CB-CG1 3.91Å; V117-I171 HydrophobicContact CG1-CG1 4.34Å; V117-I171 HydrophobicContact CG2-CG1 3.91Å; V117-L174 HydrophobicContact CG2-CD1 3.48Å; V117-L174 VanDerWaalsContact CG2-CD1 3.48Å; V117-I180 HydrophobicContact CG2-CD1 4.48Å |
| 118 | F | 98 | Very high | 95.9 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146.6 | 179.8 | -82.1 | -70.6 | 0 | 0 | 0 | 113.5 | I14 G85 L87 L104 T107 I116 M147 | I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.8Å; I14-F118 HydrophobicContact CG1-CE1 4.25Å; G85-F118 WeakPolarHBondContact O-CA 2.83Å; G85-F118 WeakPolarHBondContact O-CD1 3.27Å; L87-F118 HydrophobicContact CB-CD1 3.98Å; L87-F118 HydrophobicContact CB-CE1 4.29Å; L104-F118 HydrophobicContact CD1-CD2 3.45Å; L104-F118 VanDerWaalsContact CD1-CD2 3.45Å; L104-F118 HydrophobicContact CD1-CE2 3.46Å; L104-F118 VanDerWaalsContact CD1-CE2 3.46Å; L104-F118 HydrophobicContact CD1-CG 4.23Å; L104-F118 HydrophobicContact CD1-CZ 4.28Å; T107-F118 HydrophobicContact CG2-CE2 4.37Å; T107-F118 HydrophobicContact CG2-CZ 3.68Å; I116-F118 HydrophobicContact CB-CE2 4.24Å; I116-F118 HydrophobicContact CD1-CE1 4.13Å; I116-F118 HydrophobicContact CD1-CE2 4.23Å; I116-F118 HydrophobicContact CD1-CZ 3.8Å; I116-F118 HydrophobicContact CG1-CD2 4.45Å; I116-F118 HydrophobicContact CG1-CE2 4.15Å; I116-F118 HydrophobicContact CG1-CZ 4.19Å; I116-F118 HydrophobicContact CG2-CD2 3.78Å; I116-F118 HydrophobicContact CG2-CE2 3.18Å; I116-F118 HydrophobicContact CG2-CZ 3.82Å; F118-M147 HydrophobicContact CB-CB 4.47Å; F118-M147 HydrophobicContact CB-CE 4.3Å; F118-M147 WeakPolarHBondContact O-CB 3.4Å |
| 119 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.9 | 157.8 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | G85 L86 L87 V121 K148 I150 L167 | G85-V119 PolarHBondContact O-N 3.11Å; G85-V119 VanDerWaalsContact O-N 3.1Å; L86-V119 HydrophobicContact CD2-CB 3.86Å; L86-V119 HydrophobicContact CD2-CG1 4.41Å; L87-V119 PolarHBondContact N-O 3.4Å; V119-V121 HydrophobicContact CG1-CG2 4.13Å; V119-K148 HydrophobicContact CG1-CB 4.46Å; V119-K148 HydrophobicContact CG2-CB 4.47Å; V119-I150 HydrophobicContact CG1-CB 4.43Å; V119-I150 HydrophobicContact CG1-CD1 3.94Å; V119-I150 HydrophobicContact CG1-CG1 4.08Å; V119-L167 HydrophobicContact CG2-CB 3.89Å; V119-L167 HydrophobicContact CG2-CD1 4.26Å |
| 120 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.9 | 169.8 | -170.7 | 63.7 | 0 | 0 | 0 | 109.2 | L87 F89 V100 L141 A142 M147 K148 Y149 I150 | L87-L120 HydrophobicContact CD2-CD1 4.42Å; L87-L120 HydrophobicContact CG-CD1 4.15Å; F89-L120 HydrophobicContact CD1-CD1 3.95Å; F89-L120 HydrophobicContact CD1-CG 4.24Å; F89-L120 HydrophobicContact CE1-CD1 4.1Å; F89-L120 HydrophobicContact CE1-CD2 4.01Å; F89-L120 HydrophobicContact CE1-CG 3.88Å; V100-L120 HydrophobicContact CG1-CD1 3.69Å; V100-L120 HydrophobicContact CG2-CD1 4.16Å; L120-L141 HydrophobicContact CD2-CD2 4.39Å; L120-A142 HydrophobicContact CB-CB 4.21Å; L120-A142 HydrophobicContact CD2-CB 3.9Å; L120-M147 HydrophobicContact CB-CG 4.16Å; L120-M147 HydrophobicContact CB-SD 3.58Å; L120-M147 VanDerWaalsContact CB-SD 3.58Å; L120-M147 HydrophobicContact CD1-SD 4.3Å; L120-M147 HydrophobicContact CG-SD 4.38Å; L120-K148 PolarHBondContact N-O 3.14Å; L120-Y149 HydrophobicContact CB-CD2 4.04Å; L120-Y149 HydrophobicContact CD2-CD2 3.86Å; L120-Y149 HydrophobicContact CD2-CE2 4.39Å; L120-Y149 HydrophobicContact CG-CD2 3.88Å; L120-Y149 HydrophobicContact CG-CE2 4.4Å; L120-Y149 WeakPolarHBondContact O-CA 3.45Å; L120-Y149 WeakPolarHBondContact O-CD2 3.39Å; L120-I150 PolarHBondContact O-N 2.92Å |
| 121 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113 | -178.3 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L24 L86 L87 L88 F89 V119 H123 I150 T152 A163 | L24-V121 HydrophobicContact CD2-CG1 4.24Å; L86-V121 HydrophobicContact CB-CG2 4.3Å; L86-V121 HydrophobicContact CD2-CG2 4.03Å; L87-V121 PolarHBondContact O-N 3.2Å; L88-V121 WeakPolarHBondContact CA-O 3.42Å; L88-V121 HydrophobicContact CD1-CB 3.84Å; L88-V121 HydrophobicContact CD1-CG1 4.33Å; L88-V121 HydrophobicContact CD1-CG2 4.12Å; L88-V121 HydrophobicContact CG-CB 3.86Å; L88-V121 HydrophobicContact CG-CG1 4.02Å; F89-V121 WeakPolarHBondContact CD1-O 3.27Å; F89-V121 PolarHBondContact N-O 3.24Å; V119-V121 HydrophobicContact CG1-CG2 4.13Å; V121-H123 PolarHBondContact O-N 2.92Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.49Å; V121-T152 HydrophobicContact CG1-CG2 3.76Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.43Å; V121-A163 HydrophobicContact CG2-CB 4.46Å |
| 122 | G | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 100.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I150 E151 T152 | G122-I150 PolarHBondContact N-O 3.25Å; G122-E151 CarbonylContact O-C 3.51Å; G122-E151 WeakPolarHBondContact O-CA 3.41Å; G122-T152 PolarHBondContact O-N 3.01Å |
| 123 | H | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 162.5 | -176.2 | -158.5 | 42.3 | 0 | 0 | 0 | 112.7 | V19 F89 I91 V121 T152 A154 | V19-H123 PolarHBondContact O-CD2 2.81Å; F89-H123 WeakPolarHBondContact O-CB 3.37Å; F89-H123 PolarHBondContact O-N 3.25Å; I91-H123 WeakPolarHBondContact CG1-O 3.3Å; I91-H123 PolarHBondContact N-O 3Å; V121-H123 PolarHBondContact O-N 2.92Å; H123-T152 CarbonylContact C-O 3.6Å; H123-T152 WeakPolarHBondContact CA-O 3.41Å; H123-T152 PolarHBondContact ND1-O 2.88Å; H123-T152 VanDerWaalsContact ND1-O 3.11Å; H123-T152 PolarHBondContact ND1-OG1 2.93Å; H123-A154 PolarHBondContact CE1-N 2.95Å |
| 124 | K | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | trans | 65.9 | 36.9 | -178.1 | -47 | -172.2 | -164.4 | 165.5 | 0 | 113.8 | T18 V19 D90 I91 D126 L127 T152 | T18-K124 WeakPolarHBondContact O-CE 3.48Å; T18-K124 PolarHBondContact O-NZ 3.03Å; V19-K124 WeakPolarHBondContact O-CE 3.3Å; D90-K124 WeakPolarHBondContact OD2-CD 3.24Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.4Å; D90-K124 IonicContact OD2-NZ 3.79Å; D90-K124 PolarHBondContact OD2-NZ 3.25Å; I91-K124 WeakPolarHBondContact CG1-O 3.23Å; K124-D126 VanDerWaalsContact CA-OD1 3.29Å; K124-D126 WeakPolarHBondContact CA-OD1 3.37Å; K124-D126 PolarHBondContact O-N 3.44Å; K124-L127 HydrophobicContact CB-CD1 4.22Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 2.81Å; K124-T152 PolarHBondContact N-O 2.89Å | ||
| 125 | C | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 12% | 0.122 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -62.5 | -14.2 | 177.4 | 70 | 0 | 0 | 0 | 0 | 113.8 | I91 L127 D128 E151 T152 | I91-C125 HydrophobicContact CD1-CB 4.43Å; C125-L127 PolarHBondContact O-N 2.79Å; C125-D128 PolarHBondContact O-N 2.98Å; C125-E151 HydrophobicContact CB-CB 3.98Å; C125-T152 PolarHBondContact N-O 3.36Å; C125-T152 VanDerWaalsContact N-O 3.17Å; C125-T152 PolarHBondContact SG-O 3.22Å |
| 126 | D | 98.1 | Very high | 98.3 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -70 | -8 | 171 | 62.6 | -86.9 | 0 | 0 | 0 | 114.5 | K124 S153 R155 D156 | K124-D126 VanDerWaalsContact CA-OD1 3.29Å; K124-D126 WeakPolarHBondContact CA-OD1 3.37Å; K124-D126 PolarHBondContact O-N 3.44Å; D126-S153 VanDerWaalsContact CB-OG 3.27Å; D126-S153 WeakPolarHBondContact CB-OG 3.45Å; D126-S153 WeakPolarHBondContact OD1-CB 3.11Å; D126-S153 PolarHBondContact OD1-OG 2.65Å; D126-R155 VanDerWaalsContact CB-NH2 3.31Å; D126-R155 PolarHBondContact O-NH2 2.65Å; D126-R155 IonicContact OD2-CZ 2.83Å; D126-R155 IonicContact OD2-NE 3.17Å; D126-R155 PolarHBondContact OD2-NE 2.98Å; D126-R155 IonicContact OD2-NH1 2.64Å; D126-R155 PolarHBondContact OD2-NH1 3.06Å; D126-R155 IonicContact OD2-NH2 3.44Å; D126-R155 PolarHBondContact OD2-NH2 3.09Å; D126-D156 HydrophobicContact CB-CB 4.44Å; D126-D156 WeakPolarHBondContact CB-OD2 3.48Å |
| 127 | L | 97.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -108.7 | 37.3 | 173.9 | -59.9 | 178.4 | 0 | 0 | 0 | 111.4 | T92 K124 C125 T129 Q130 | T92-L127 HydrophobicContact CG2-CB 3.58Å; T92-L127 HydrophobicContact CG2-CD1 4.12Å; K124-L127 HydrophobicContact CB-CD1 4.22Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 2.81Å; C125-L127 PolarHBondContact O-N 2.79Å; L127-T129 PolarHBondContact O-N 2.76Å; L127-T129 VanDerWaalsContact O-N 3.11Å; L127-Q130 WeakPolarHBondContact O-CA 3.35Å; L127-Q130 PolarHBondContact O-N 3.39Å |
| 128 | D | 98 | Very high | 98.5 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -55.5 | -32 | -174.3 | -164 | 62.7 | 0 | 0 | 0 | 113.9 | C125 Q130 R131 | C125-D128 PolarHBondContact O-N 2.98Å; D128-Q130 PolarHBondContact O-N 2.79Å; D128-Q130 VanDerWaalsContact O-N 3.16Å; D128-R131 WeakPolarHBondContact O-CB 3.26Å; D128-R131 PolarHBondContact O-N 2.87Å; D128-R131 IonicContact OD1-CZ 2.68Å; D128-R131 VanDerWaalsContact OD1-CZ 3.23Å; D128-R131 IonicContact OD1-NE 3.68Å; D128-R131 PolarHBondContact OD1-NE 2.84Å; D128-R131 IonicContact OD1-NH2 3.85Å; D128-R131 PolarHBondContact OD1-NH2 3.01Å |
| 129 | T | 98.2 | Very high | 98.5 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 87% | 0.865 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -64.9 | -16.7 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 114 | L127 | L127-T129 PolarHBondContact O-N 2.76Å; L127-T129 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 98.4 | Very high | 98.5 | Very high | 113 Ų | 113 | 61.4 Ų | 61.4 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -108.4 | 10.9 | 177.6 | -58.5 | 176.9 | 39.9 | 0 | 0 | 112 | T92 L127 D128 Q132 | T92-Q130 WeakPolarHBondContact CA-O 3.5Å; T92-Q130 HydrophobicContact CG2-CB 3.85Å; L127-Q130 WeakPolarHBondContact O-CA 3.35Å; L127-Q130 PolarHBondContact O-N 3.39Å; D128-Q130 PolarHBondContact O-N 2.79Å; D128-Q130 VanDerWaalsContact O-N 3.16Å; Q130-Q132 PolarHBondContact O-N 2.87Å |
| 131 | R | 98.7 | Very high | 98.5 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | trans | -57.5 | 127.3 | -177.2 | 179.1 | 179.4 | -68.7 | -91.8 | 6.8 | 111.4 | I91 D128 V133 E151 | I91-R131 HydrophobicContact CD1-CB 4.25Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; D128-R131 WeakPolarHBondContact O-CB 3.26Å; D128-R131 PolarHBondContact O-N 2.87Å; D128-R131 IonicContact OD1-CZ 2.68Å; D128-R131 VanDerWaalsContact OD1-CZ 3.23Å; D128-R131 IonicContact OD1-NE 3.68Å; D128-R131 PolarHBondContact OD1-NE 2.84Å; D128-R131 IonicContact OD1-NH2 3.85Å; D128-R131 PolarHBondContact OD1-NH2 3.01Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.31Å; R131-V133 WeakPolarHBondContact CG-O 3.46Å; R131-V133 PolarHBondContact NH1-O 3.44Å; R131-E151 IonicContact CZ-OE1 3.93Å; R131-E151 IonicContact CZ-OE2 3.23Å; R131-E151 IonicContact NH1-OE1 3.55Å; R131-E151 PolarHBondContact NH1-OE1 3.47Å; R131-E151 IonicContact NH1-OE2 2.76Å; R131-E151 IonicContact NH2-OE1 2.85Å; R131-E151 PolarHBondContact NH2-OE1 3.37Å; R131-E151 IonicContact NH2-OE2 2.8Å; R131-E151 PolarHBondContact NH2-OE2 2.97Å | ||
| 132 | Q | 98.7 | Very high | 98.5 | Very high | 103 Ų | 103 | 63.4 Ų | 63.4 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | trans | -109.2 | -15.4 | 172.3 | -63.6 | -172.7 | 7.7 | 0 | 0 | 112.9 | I91 T92 R94 Q130 | I91-Q132 PolarHBondContact O-N 2.9Å; T92-Q132 VanDerWaalsContact O-CG 3.27Å; T92-Q132 WeakPolarHBondContact O-CG 3.47Å; T92-Q132 PolarHBondContact O-NE2 3.3Å; T92-Q132 PolarHBondContact O-OE1 3.34Å; R94-Q132 HydrophobicContact CB-CB 4.11Å; R94-Q132 VanDerWaalsContact CZ-O 3.28Å; R94-Q132 VanDerWaalsContact N-OE1 3.08Å; R94-Q132 PolarHBondContact NE-O 2.94Å; R94-Q132 PolarHBondContact NH2-O 3.46Å; Q130-Q132 PolarHBondContact O-N 2.87Å | ||
| 133 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -121.6 | 118.7 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | F89 I91 R94 F97 R131 E137 A138 | F89-V133 HydrophobicContact CE2-CB 4.05Å; F89-V133 HydrophobicContact CE2-CG1 3.91Å; F89-V133 HydrophobicContact CE2-CG2 4.37Å; F89-V133 HydrophobicContact CZ-CG1 4.3Å; I91-V133 PolarHBondContact O-N 3.31Å; I91-V133 VanDerWaalsContact O-N 3.12Å; R94-V133 HydrophobicContact CB-CG2 4.28Å; F97-V133 HydrophobicContact CB-CG1 4.36Å; F97-V133 HydrophobicContact CB-CG2 3.68Å; F97-V133 HydrophobicContact CD1-CG1 3.98Å; F97-V133 HydrophobicContact CD1-CG2 4.22Å; F97-V133 HydrophobicContact CD2-CG1 3.86Å; F97-V133 HydrophobicContact CE1-CG1 4.18Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.8Å; F97-V133 HydrophobicContact CG-CG2 3.97Å; F97-V133 HydrophobicContact CZ-CG1 4.21Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.31Å; R131-V133 WeakPolarHBondContact CG-O 3.46Å; R131-V133 PolarHBondContact NH1-O 3.44Å; V133-E137 HydrophobicContact CG1-CB 4.29Å; V133-A138 HydrophobicContact CG1-CB 4.43Å |
| 134 | T | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | trans | -72 | 152.1 | 179.5 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | H136 E137 A138 | T134-H136 PolarHBondContact O-N 2.75Å; T134-E137 WeakPolarHBondContact CB-OE2 3.4Å; T134-E137 PolarHBondContact N-OE2 3.06Å; T134-E137 PolarHBondContact O-N 3.32Å; T134-E137 VanDerWaalsContact OG1-CG 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.27Å; T134-E137 PolarHBondContact OG1-N 3.22Å; T134-E137 PolarHBondContact OG1-OE2 3.26Å; T134-A138 PolarHBondContact O-N 2.96Å | ||
| 135 | R | 98.3 | Very high | 98.3 | Very high | 154 Ų | 154 | 71.6 Ų | 71.6 | 58% | 0.581 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -54.7 | -39.8 | 172.6 | 176.1 | 164.6 | -179.4 | 170.2 | 1.9 | 111.9 | A138 E139 Y149 | R135-A138 PolarHBondContact O-N 2.62Å; R135-E139 HydrophobicContact CG-CG 4.18Å; R135-E139 WeakPolarHBondContact CG-OE1 3.47Å; R135-E139 IonicContact CZ-OE1 3.15Å; R135-E139 IonicContact NE-OE1 2.65Å; R135-E139 PolarHBondContact NE-OE1 3.42Å; R135-E139 IonicContact NH2-OE1 2.73Å; R135-E139 PolarHBondContact NH2-OE1 3.21Å; R135-E139 WeakPolarHBondContact O-CB 3.18Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 3.32Å; R135-Y149 HydrophobicContact CG-CE1 4.17Å |
| 136 | H | 98.6 | Very high | 98.2 | Very high | 134 Ų | 134 | 74.3 Ų | 74.3 | 62% | 0.62 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 178.5 | -178 | 69.5 | 0 | 0 | 0 | 113 | T134 A138 E139 K140 | T134-H136 PolarHBondContact O-N 2.75Å; H136-A138 VanDerWaalsContact C-N 3.34Å; H136-A138 PolarHBondContact O-N 3.34Å; H136-E139 PolarHBondContact O-N 3.48Å; H136-K140 VanDerWaalsContact O-CB 3.31Å; H136-K140 WeakPolarHBondContact O-CB 3.49Å; H136-K140 PolarHBondContact O-N 3.2Å |
| 137 | E | 98.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 73.8 Ų | 73.8 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.7 | -73.9 | 166.7 | 112.8 | 0 | 0 | 111.8 | R94 F97 V133 T134 K140 L141 | R94-E137 IonicContact CZ-OE1 3.02Å; R94-E137 IonicContact CZ-OE2 2.7Å; R94-E137 IonicContact NH1-OE1 3.63Å; R94-E137 PolarHBondContact NH1-OE1 3.02Å; R94-E137 IonicContact NH2-OE1 2.69Å; R94-E137 PolarHBondContact NH2-OE1 3.11Å; R94-E137 IonicContact NH2-OE2 3.94Å; R94-E137 PolarHBondContact NH2-OE2 2.9Å; F97-E137 HydrophobicContact CE1-CB 4.46Å; F97-E137 HydrophobicContact CZ-CB 4.29Å; V133-E137 HydrophobicContact CG1-CB 4.29Å; T134-E137 WeakPolarHBondContact CB-OE2 3.4Å; T134-E137 PolarHBondContact N-OE2 3.06Å; T134-E137 PolarHBondContact O-N 3.32Å; T134-E137 VanDerWaalsContact OG1-CG 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.27Å; T134-E137 PolarHBondContact OG1-N 3.22Å; T134-E137 PolarHBondContact OG1-OE2 3.26Å; E137-K140 PolarHBondContact O-N 3.4Å; E137-L141 PolarHBondContact O-N 2.93Å |
| 138 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.1 | -40 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F89 F97 V133 T134 R135 H136 K140 L141 A142 Y149 | F89-A138 HydrophobicContact CE1-CB 4.21Å; F89-A138 HydrophobicContact CZ-CB 3.69Å; F97-A138 HydrophobicContact CE2-CB 4.1Å; V133-A138 HydrophobicContact CG1-CB 4.43Å; T134-A138 PolarHBondContact O-N 2.96Å; R135-A138 PolarHBondContact O-N 2.62Å; H136-A138 VanDerWaalsContact C-N 3.34Å; H136-A138 PolarHBondContact O-N 3.34Å; A138-K140 VanDerWaalsContact C-N 3.35Å; A138-L141 PolarHBondContact O-N 3.2Å; A138-A142 WeakPolarHBondContact O-CB 3.42Å; A138-A142 PolarHBondContact O-N 2.87Å; A138-Y149 HydrophobicContact CB-CD1 4.19Å; A138-Y149 HydrophobicContact CB-CD2 3.98Å; A138-Y149 HydrophobicContact CB-CE1 3.69Å; A138-Y149 HydrophobicContact CB-CE2 3.46Å; A138-Y149 VanDerWaalsContact CB-CE2 3.46Å; A138-Y149 HydrophobicContact CB-CG 4.3Å; A138-Y149 WeakPolarHBondContact CB-OH 3.38Å |
| 139 | E | 98.7 | Very high | 98.2 | Very high | 76 Ų | 76 | 73 Ų | 73 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 172.5 | -74.3 | 172.6 | 166.5 | 0 | 0 | 111.5 | R135 H136 A142 A143 Y149 | R135-E139 HydrophobicContact CG-CG 4.18Å; R135-E139 WeakPolarHBondContact CG-OE1 3.47Å; R135-E139 IonicContact CZ-OE1 3.15Å; R135-E139 IonicContact NE-OE1 2.65Å; R135-E139 PolarHBondContact NE-OE1 3.42Å; R135-E139 IonicContact NH2-OE1 2.73Å; R135-E139 PolarHBondContact NH2-OE1 3.21Å; R135-E139 WeakPolarHBondContact O-CB 3.18Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 3.32Å; H136-E139 PolarHBondContact O-N 3.48Å; E139-A142 PolarHBondContact O-N 3.45Å; E139-A143 WeakPolarHBondContact O-CB 3.29Å; E139-A143 PolarHBondContact O-N 3.15Å; E139-Y149 HydrophobicContact CG-CD1 3.63Å; E139-Y149 HydrophobicContact CG-CE1 4.34Å; E139-Y149 HydrophobicContact CG-CG 4.41Å |
| 140 | K | 98.6 | Very high | 98.3 | Very high | 149 Ų | 149 | 66.7 Ų | 66.7 | 65% | 0.648 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 175.5 | -176.7 | 179.2 | 179.3 | -179.8 | 0 | 111.9 | H136 E137 A138 A144 | H136-K140 VanDerWaalsContact O-CB 3.31Å; H136-K140 WeakPolarHBondContact O-CB 3.49Å; H136-K140 PolarHBondContact O-N 3.2Å; E137-K140 PolarHBondContact O-N 3.4Å; A138-K140 VanDerWaalsContact C-N 3.35Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.24Å |
| 141 | L | 98.5 | Very high | 98.3 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.1 | -170.6 | 71.1 | 0 | 0 | 0 | 111.4 | F97 V100 L120 E137 A138 A143 A144 Y145 | F97-L141 HydrophobicContact CD2-CD2 4.06Å; F97-L141 HydrophobicContact CE1-CD2 4.46Å; F97-L141 HydrophobicContact CE2-CB 4.01Å; F97-L141 HydrophobicContact CE2-CD2 3.36Å; F97-L141 HydrophobicContact CE2-CG 4.3Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.61Å; F97-L141 HydrophobicContact CZ-CG 4.26Å; V100-L141 HydrophobicContact CB-CD2 4.09Å; V100-L141 HydrophobicContact CG1-CD2 3.78Å; L120-L141 HydrophobicContact CD2-CD2 4.39Å; E137-L141 PolarHBondContact O-N 2.93Å; A138-L141 PolarHBondContact O-N 3.2Å; L141-A143 PolarHBondContact O-N 2.96Å; L141-A144 WeakPolarHBondContact O-CB 3.42Å; L141-A144 PolarHBondContact O-N 3.5Å; L141-Y145 HydrophobicContact CD1-CD2 4.18Å; L141-Y145 HydrophobicContact CD1-CE2 3.53Å; L141-Y145 HydrophobicContact CD2-CE2 4.46Å; L141-Y145 HydrophobicContact CG-CD2 4.04Å; L141-Y145 HydrophobicContact CG-CE2 3.8Å; L141-Y145 VanDerWaalsContact O-CD2 3.27Å; L141-Y145 WeakPolarHBondContact O-CD2 3.49Å; L141-Y145 PolarHBondContact O-N 2.55Å |
| 142 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L120 A138 E139 A144 Y145 G146 M147 | L120-A142 HydrophobicContact CB-CB 4.21Å; L120-A142 HydrophobicContact CD2-CB 3.9Å; A138-A142 WeakPolarHBondContact O-CB 3.42Å; A138-A142 PolarHBondContact O-N 2.87Å; E139-A142 PolarHBondContact O-N 3.45Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-A144 PolarHBondContact O-N 2.77Å; A142-Y145 CarbonylContact O-C 3.58Å; A142-Y145 PolarHBondContact O-N 2.85Å; A142-G146 PolarHBondContact O-N 2.76Å; A142-M147 CarbonylContact C-O 3.42Å; A142-M147 HydrophobicContact CB-CG 3.85Å; A142-M147 WeakPolarHBondContact CB-O 3.41Å; A142-M147 WeakPolarHBondContact O-CG 3.35Å; A142-M147 PolarHBondContact O-N 3.5Å |
| 143 | A | 98.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 63% | 0.628 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E139 L141 Y145 G146 | E139-A143 WeakPolarHBondContact O-CB 3.29Å; E139-A143 PolarHBondContact O-N 3.15Å; L141-A143 PolarHBondContact O-N 2.96Å; A143-Y145 PolarHBondContact O-N 3.22Å; A143-G146 PolarHBondContact O-N 3.43Å; A143-G146 VanDerWaalsContact O-N 3.11Å |
| 144 | A | 97.9 | Very high | 98.2 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.9 | -29.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K140 L141 A142 | K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.24Å; L141-A144 WeakPolarHBondContact O-CB 3.42Å; L141-A144 PolarHBondContact O-N 3.5Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-A144 PolarHBondContact O-N 2.77Å |
| 145 | Y | 96.8 | Very high | 98.2 | Very high | 69 Ų | 69 | 56.2 Ų | 56.2 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 5.4 | 176.5 | -66.1 | -58.7 | 0 | 0 | 0 | 114.6 | H101 L104 L141 A142 A143 M147 | H101-Y145 AromaticContact ND1-CZ 3.76Å; H101-Y145 PolarHBondContact ND1-OH 3.47Å; L104-Y145 HydrophobicContact CD2-CD1 3.37Å; L104-Y145 HydrophobicContact CD2-CD2 3.78Å; L104-Y145 HydrophobicContact CD2-CE1 3.61Å; L104-Y145 HydrophobicContact CD2-CE2 3.99Å; L104-Y145 HydrophobicContact CD2-CG 3.47Å; L104-Y145 VanDerWaalsContact CD2-CG 3.47Å; L141-Y145 HydrophobicContact CD1-CD2 4.18Å; L141-Y145 HydrophobicContact CD1-CE2 3.53Å; L141-Y145 HydrophobicContact CD2-CE2 4.46Å; L141-Y145 HydrophobicContact CG-CD2 4.04Å; L141-Y145 HydrophobicContact CG-CE2 3.8Å; L141-Y145 VanDerWaalsContact O-CD2 3.27Å; L141-Y145 WeakPolarHBondContact O-CD2 3.49Å; L141-Y145 PolarHBondContact O-N 2.55Å; A142-Y145 CarbonylContact O-C 3.58Å; A142-Y145 PolarHBondContact O-N 2.85Å; A143-Y145 PolarHBondContact O-N 3.22Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.98Å; Y145-M147 HydrophobicContact CG-CE 3.86Å; Y145-M147 PolarHBondContact O-N 2.74Å |
| 146 | G | 96.3 | Very high | 98.1 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 76% | 0.763 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 30 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A142 A143 | A142-G146 PolarHBondContact O-N 2.76Å; A143-G146 PolarHBondContact O-N 3.43Å; A143-G146 VanDerWaalsContact O-N 3.11Å |
| 147 | M | 97 | Very high | 98.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | trans | -111.9 | 153.1 | 179 | 57.9 | -178.6 | 78.9 | 0 | 0 | 111.6 | L87 L104 F118 L120 A142 Y145 | L87-M147 HydrophobicContact CD2-CE 4.37Å; L104-M147 HydrophobicContact CD1-CE 3.88Å; L104-M147 HydrophobicContact CD2-CE 3.71Å; L104-M147 HydrophobicContact CG-CE 4.43Å; F118-M147 HydrophobicContact CB-CB 4.47Å; F118-M147 HydrophobicContact CB-CE 4.3Å; F118-M147 WeakPolarHBondContact O-CB 3.4Å; L120-M147 HydrophobicContact CB-CG 4.16Å; L120-M147 HydrophobicContact CB-SD 3.58Å; L120-M147 VanDerWaalsContact CB-SD 3.58Å; L120-M147 HydrophobicContact CD1-SD 4.3Å; L120-M147 HydrophobicContact CG-SD 4.38Å; A142-M147 CarbonylContact C-O 3.42Å; A142-M147 HydrophobicContact CB-CG 3.85Å; A142-M147 WeakPolarHBondContact CB-O 3.41Å; A142-M147 WeakPolarHBondContact O-CG 3.35Å; A142-M147 PolarHBondContact O-N 3.5Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.98Å; Y145-M147 HydrophobicContact CG-CE 3.86Å; Y145-M147 PolarHBondContact O-N 2.74Å | ||
| 148 | K | 98 | Very high | 98.1 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 149.5 | 167.9 | -68.4 | 176.3 | -176.6 | 163.9 | 0 | 109.8 | V119 L120 D170 | V119-K148 HydrophobicContact CG1-CB 4.46Å; V119-K148 HydrophobicContact CG2-CB 4.47Å; L120-K148 PolarHBondContact N-O 3.14Å; K148-D170 VanDerWaalsContact CE-OD2 3.22Å; K148-D170 WeakPolarHBondContact CE-OD2 3.17Å; K148-D170 IonicContact NZ-OD1 3.54Å; K148-D170 PolarHBondContact NZ-OD1 2.9Å; K148-D170 IonicContact NZ-OD2 3.69Å; K148-D170 PolarHBondContact NZ-OD2 3.27Å |
| 149 | Y | 98.7 | Very high | 98.1 | Very high | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.4 | 170 | 176.8 | -119.1 | 0 | 0 | 0 | 111 | F89 L120 R135 A138 E139 E151 | F89-Y149 AromaticContact CE1-CE2 3.73Å; F89-Y149 HydrophobicContact CE1-CE2 3.73Å; F89-Y149 AromaticContact CZ-CE2 3.75Å; F89-Y149 HydrophobicContact CZ-CE2 3.75Å; L120-Y149 HydrophobicContact CB-CD2 4.04Å; L120-Y149 HydrophobicContact CD2-CD2 3.86Å; L120-Y149 HydrophobicContact CD2-CE2 4.39Å; L120-Y149 HydrophobicContact CG-CD2 3.88Å; L120-Y149 HydrophobicContact CG-CE2 4.4Å; L120-Y149 WeakPolarHBondContact O-CA 3.45Å; L120-Y149 WeakPolarHBondContact O-CD2 3.39Å; R135-Y149 HydrophobicContact CG-CE1 4.17Å; A138-Y149 HydrophobicContact CB-CD1 4.19Å; A138-Y149 HydrophobicContact CB-CD2 3.98Å; A138-Y149 HydrophobicContact CB-CE1 3.69Å; A138-Y149 HydrophobicContact CB-CE2 3.46Å; A138-Y149 VanDerWaalsContact CB-CE2 3.46Å; A138-Y149 HydrophobicContact CB-CG 4.3Å; A138-Y149 WeakPolarHBondContact CB-OH 3.38Å; E139-Y149 HydrophobicContact CG-CD1 3.63Å; E139-Y149 HydrophobicContact CG-CE1 4.34Å; E139-Y149 HydrophobicContact CG-CG 4.41Å; Y149-E151 HydrophobicContact CE1-CG 3.64Å; Y149-E151 HydrophobicContact CE2-CG 4.36Å; Y149-E151 VanDerWaalsContact CZ-CG 3.43Å; Y149-E151 WeakPolarHBondContact OH-CG 3.46Å; Y149-E151 PolarHBondContact OH-OE1 3.18Å |
| 150 | I | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.7 | 176.7 | -57.8 | 177.4 | 0 | 0 | 0 | 109.5 | V119 L120 V121 G122 T152 N159 K162 D166 | V119-I150 HydrophobicContact CG1-CB 4.43Å; V119-I150 HydrophobicContact CG1-CD1 3.94Å; V119-I150 HydrophobicContact CG1-CG1 4.08Å; L120-I150 PolarHBondContact O-N 2.92Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.49Å; G122-I150 PolarHBondContact N-O 3.25Å; I150-T152 HydrophobicContact CG2-CG2 3.99Å; I150-N159 HydrophobicContact CG2-CB 3.73Å; I150-K162 HydrophobicContact CD1-CG 4.36Å; I150-D166 HydrophobicContact CD1-CB 4.19Å; I150-D166 WeakPolarHBondContact CD1-OD2 3.44Å |
| 151 | E | 98.8 | Very high | 98 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.7 | 168.9 | -71.1 | -168.7 | 177.7 | 0 | 0 | 110.9 | G122 C125 R131 Y149 N159 | G122-E151 CarbonylContact O-C 3.51Å; G122-E151 WeakPolarHBondContact O-CA 3.41Å; C125-E151 HydrophobicContact CB-CB 3.98Å; R131-E151 IonicContact CZ-OE1 3.93Å; R131-E151 IonicContact CZ-OE2 3.23Å; R131-E151 IonicContact NH1-OE1 3.55Å; R131-E151 PolarHBondContact NH1-OE1 3.47Å; R131-E151 IonicContact NH1-OE2 2.76Å; R131-E151 IonicContact NH2-OE1 2.85Å; R131-E151 PolarHBondContact NH2-OE1 3.37Å; R131-E151 IonicContact NH2-OE2 2.8Å; R131-E151 PolarHBondContact NH2-OE2 2.97Å; Y149-E151 HydrophobicContact CE1-CG 3.64Å; Y149-E151 HydrophobicContact CE2-CG 4.36Å; Y149-E151 VanDerWaalsContact CZ-CG 3.43Å; Y149-E151 WeakPolarHBondContact OH-CG 3.46Å; Y149-E151 PolarHBondContact OH-OE1 3.18Å; E151-N159 WeakPolarHBondContact O-CB 3.31Å; E151-N159 PolarHBondContact O-ND2 3.18Å |
| 152 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.2 | -176.1 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | L24 V121 G122 H123 K124 C125 I150 I158 N159 A163 | L24-T152 HydrophobicContact CD1-CG2 4.45Å; V121-T152 HydrophobicContact CG1-CG2 3.76Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.43Å; G122-T152 PolarHBondContact O-N 3.01Å; H123-T152 CarbonylContact C-O 3.6Å; H123-T152 WeakPolarHBondContact CA-O 3.41Å; H123-T152 PolarHBondContact ND1-O 2.88Å; H123-T152 VanDerWaalsContact ND1-O 3.11Å; H123-T152 PolarHBondContact ND1-OG1 2.93Å; K124-T152 PolarHBondContact N-O 2.89Å; C125-T152 PolarHBondContact N-O 3.36Å; C125-T152 VanDerWaalsContact N-O 3.17Å; C125-T152 PolarHBondContact SG-O 3.22Å; I150-T152 HydrophobicContact CG2-CG2 3.99Å; T152-I158 CarbonylContact C-O 3.44Å; T152-I158 VanDerWaalsContact CA-O 3.26Å; T152-I158 WeakPolarHBondContact CA-O 3.45Å; T152-N159 HydrophobicContact CG2-CB 4.01Å; T152-A163 HydrophobicContact CG2-CB 3.95Å |
| 153 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -130.6 | 122.7 | 167 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | D126 R155 D156 A157 I158 V160 | D126-S153 VanDerWaalsContact CB-OG 3.27Å; D126-S153 WeakPolarHBondContact CB-OG 3.45Å; D126-S153 WeakPolarHBondContact OD1-CB 3.11Å; D126-S153 PolarHBondContact OD1-OG 2.65Å; S153-R155 VanDerWaalsContact C-N 3.34Å; S153-R155 PolarHBondContact OG-N 2.65Å; S153-D156 PolarHBondContact OG-N 2.98Å; S153-A157 CarbonylContact O-C 3.59Å; S153-A157 WeakPolarHBondContact O-CA 3.36Å; S153-A157 PolarHBondContact O-N 3.41Å; S153-I158 PolarHBondContact N-O 3.38Å; S153-I158 PolarHBondContact O-N 2.96Å; S153-V160 VanDerWaalsContact O-CG2 3.23Å; S153-V160 WeakPolarHBondContact O-CG2 3.45Å | ||
| 154 | A | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.9 | -29.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C23 R27 F33 H123 | C23-A154 HydrophobicContact CB-CB 3.94Å; R27-A154 HydrophobicContact CB-CB 4.19Å; R27-A154 PolarHBondContact NE-O 3.13Å; R27-A154 PolarHBondContact NH2-O 2.73Å; R27-A154 VanDerWaalsContact NH2-O 3.17Å; F33-A154 HydrophobicContact CD2-CB 3.83Å; F33-A154 HydrophobicContact CE2-CB 4.16Å; H123-A154 PolarHBondContact CE1-N 2.95Å |
| 155 | R | 97.2 | Very high | 98 | Very high | 96 Ų | 96 | 43 Ų | 43 | 36% | 0.362 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -64.2 | -56.3 | 177.3 | -171.6 | -175.9 | 75.4 | -161.7 | 13.5 | 110.5 | R27 F33 D126 S153 | R27-R155 PolarHBondContact NH2-O 3.33Å; F33-R155 HydrophobicContact CD1-CB 4.4Å; F33-R155 HydrophobicContact CD1-CG 4.28Å; F33-R155 HydrophobicContact CE1-CB 4.02Å; F33-R155 HydrophobicContact CE1-CG 3.85Å; F33-R155 HydrophobicContact CE2-CB 4.19Å; F33-R155 HydrophobicContact CZ-CB 3.91Å; F33-R155 HydrophobicContact CZ-CG 4.18Å; D126-R155 VanDerWaalsContact CB-NH2 3.31Å; D126-R155 PolarHBondContact O-NH2 2.65Å; D126-R155 IonicContact OD2-CZ 2.83Å; D126-R155 IonicContact OD2-NE 3.17Å; D126-R155 PolarHBondContact OD2-NE 2.98Å; D126-R155 IonicContact OD2-NH1 2.64Å; D126-R155 PolarHBondContact OD2-NH1 3.06Å; D126-R155 IonicContact OD2-NH2 3.44Å; D126-R155 PolarHBondContact OD2-NH2 3.09Å; S153-R155 VanDerWaalsContact C-N 3.34Å; S153-R155 PolarHBondContact OG-N 2.65Å |
| 156 | D | 97.8 | Very high | 98.1 | Very high | 82 Ų | 82 | 41 Ų | 41 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -95.8 | 6.6 | -172.2 | -59.8 | -6.1 | 0 | 0 | 0 | 112.2 | D126 S153 I158 | D126-D156 HydrophobicContact CB-CB 4.44Å; D126-D156 WeakPolarHBondContact CB-OD2 3.48Å; S153-D156 PolarHBondContact OG-N 2.98Å; D156-I158 HydrophobicContact CB-CD1 3.93Å; D156-I158 HydrophobicContact CB-CG1 3.97Å; D156-I158 PolarHBondContact O-N 3.35Å; D156-I158 VanDerWaalsContact O-N 3.16Å |
| 157 | A | 97.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | trans | 56.7 | 23.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | S153 N159 | S153-A157 CarbonylContact O-C 3.59Å; S153-A157 WeakPolarHBondContact O-CA 3.36Å; S153-A157 PolarHBondContact O-N 3.41Å; A157-N159 PolarHBondContact O-N 2.8Å | ||
| 158 | I | 98.7 | Very high | 98.3 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 35% | 0.354 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 124.6 | -179.7 | -61.3 | 170 | 0 | 0 | 0 | 109.8 | T152 S153 D156 V160 | T152-I158 CarbonylContact C-O 3.44Å; T152-I158 VanDerWaalsContact CA-O 3.26Å; T152-I158 WeakPolarHBondContact CA-O 3.45Å; S153-I158 PolarHBondContact N-O 3.38Å; S153-I158 PolarHBondContact O-N 2.96Å; D156-I158 HydrophobicContact CB-CD1 3.93Å; D156-I158 HydrophobicContact CB-CG1 3.97Å; D156-I158 PolarHBondContact O-N 3.35Å; D156-I158 VanDerWaalsContact O-N 3.16Å; I158-V160 PolarHBondContact O-N 2.94Å |
| 159 | N | 98.6 | Very high | 98.3 | Very high | 68 Ų | 68 | 38 Ų | 38 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 16.1 | 175.1 | -64.3 | -37.6 | 0 | 0 | 0 | 115.8 | I150 E151 T152 A157 K162 A163 | I150-N159 HydrophobicContact CG2-CB 3.73Å; E151-N159 WeakPolarHBondContact O-CB 3.31Å; E151-N159 PolarHBondContact O-ND2 3.18Å; T152-N159 HydrophobicContact CG2-CB 4.01Å; A157-N159 PolarHBondContact O-N 2.8Å; N159-K162 HydrophobicContact CB-CB 4.2Å; N159-K162 PolarHBondContact O-N 3.23Å; N159-A163 PolarHBondContact O-N 3.32Å |
| 160 | V | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -54.7 | -178.8 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | L24 R27 F28 S153 I158 K162 A163 F164 | L24-V160 HydrophobicContact CD1-CB 4.25Å; L24-V160 HydrophobicContact CD1-CG1 3.95Å; L24-V160 HydrophobicContact CD1-CG2 3.78Å; R27-V160 HydrophobicContact CB-CG1 4.29Å; R27-V160 HydrophobicContact CG-CB 4.36Å; R27-V160 HydrophobicContact CG-CG1 4.02Å; R27-V160 HydrophobicContact CG-CG2 3.97Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.39Å; S153-V160 VanDerWaalsContact O-CG2 3.23Å; S153-V160 WeakPolarHBondContact O-CG2 3.45Å; I158-V160 PolarHBondContact O-N 2.94Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 2.71Å; V160-A163 PolarHBondContact O-N 2.92Å; V160-F164 WeakPolarHBondContact O-CD2 3.22Å |
| 161 | E | 97.9 | Very high | 98.2 | Very high | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56 | -44.9 | 173.4 | -70.8 | -63.4 | 161.7 | 0 | 0 | 112 | F28 R48 A163 F164 T165 | F28-E161 VanDerWaalsContact CE2-OE2 3.31Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.39Å; R48-E161 IonicContact CZ-OE1 3.21Å; R48-E161 IonicContact CZ-OE2 3.5Å; R48-E161 IonicContact NH1-OE1 2.76Å; R48-E161 PolarHBondContact NH1-OE1 3.36Å; R48-E161 IonicContact NH1-OE2 2.76Å; R48-E161 PolarHBondContact NH1-OE2 2.95Å; R48-E161 VanDerWaalsContact NH1-OE2 3.13Å; R48-E161 IonicContact NH2-OE1 2.76Å; R48-E161 PolarHBondContact NH2-OE1 3.27Å; R48-E161 IonicContact NH2-OE2 3.42Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.48Å; E161-F164 PolarHBondContact O-N 3.28Å; E161-T165 WeakPolarHBondContact O-CB 3.22Å; E161-T165 VanDerWaalsContact O-CG2 3.3Å; E161-T165 WeakPolarHBondContact O-CG2 3.23Å; E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3.1Å |
| 162 | K | 98.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 37.2 Ų | 37.2 | 39% | 0.391 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.2 | -42.8 | -176.2 | -170 | -176.6 | -176.5 | -60 | 0 | 112 | I150 N159 V160 F164 T165 D166 | I150-K162 HydrophobicContact CD1-CG 4.36Å; N159-K162 HydrophobicContact CB-CB 4.2Å; N159-K162 PolarHBondContact O-N 3.23Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 2.71Å; K162-F164 PolarHBondContact O-N 3.1Å; K162-T165 WeakPolarHBondContact CA-OG1 3.08Å; K162-T165 PolarHBondContact O-N 3.2Å; K162-T165 PolarHBondContact O-OG1 2.94Å; K162-D166 IonicContact NZ-OD2 3.13Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 VanDerWaalsContact O-CB 3.26Å; K162-D166 WeakPolarHBondContact O-CB 3.06Å; K162-D166 PolarHBondContact O-N 2.77Å |
| 163 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V121 T152 N159 V160 E161 L167 | V121-A163 HydrophobicContact CG2-CB 4.46Å; T152-A163 HydrophobicContact CG2-CB 3.95Å; N159-A163 PolarHBondContact O-N 3.32Å; V160-A163 PolarHBondContact O-N 2.92Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.48Å; A163-L167 PolarHBondContact O-N 2.88Å |
| 164 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.9 | -39.4 | 178.8 | -69.8 | -89.8 | 0 | 0 | 0 | 112.4 | L11 L24 I25 F28 I62 L86 V160 E161 K162 T168 | L11-F164 HydrophobicContact CD1-CD1 4.39Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CG-CE2 4.1Å; I25-F164 HydrophobicContact CG1-CZ 4.23Å; F28-F164 HydrophobicContact CB-CD2 3.87Å; F28-F164 HydrophobicContact CB-CE2 3.56Å; F28-F164 HydrophobicContact CB-CZ 4.16Å; F28-F164 HydrophobicContact CD1-CB 4.46Å; F28-F164 AromaticContact CD1-CD1 3.95Å; F28-F164 HydrophobicContact CD1-CD1 3.95Å; F28-F164 AromaticContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 3.98Å; F28-F164 HydrophobicContact CD1-CE2 3.98Å; F28-F164 AromaticContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CZ 4.1Å; F28-F164 HydrophobicContact CD2-CB 3.97Å; F28-F164 AromaticContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CE2 4.03Å; F28-F164 AromaticContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CE1-CB 4Å; F28-F164 AromaticContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.41Å; F28-F164 AromaticContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE2-CB 3.42Å; F28-F164 VanDerWaalsContact CE2-CB 3.42Å; F28-F164 AromaticContact CE2-CD2 3.82Å; F28-F164 HydrophobicContact CE2-CD2 3.82Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CB 4.46Å; F28-F164 HydrophobicContact CG-CD1 4.38Å; F28-F164 AromaticContact CG-CD2 3.41Å; F28-F164 HydrophobicContact CG-CD2 3.41Å; F28-F164 VanDerWaalsContact CG-CD2 3.41Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CZ 4.16Å; F28-F164 HydrophobicContact CZ-CB 3.44Å; F28-F164 VanDerWaalsContact CZ-CB 3.44Å; F28-F164 HydrophobicContact CZ-CD1 4.23Å; F28-F164 HydrophobicContact CZ-CD2 4.21Å; F28-F164 AromaticContact CZ-CG 3.72Å; F28-F164 HydrophobicContact CZ-CG 3.72Å; I62-F164 HydrophobicContact CD1-CD1 4.1Å; I62-F164 HydrophobicContact CD1-CE1 3.83Å; I62-F164 HydrophobicContact CG1-CE1 4.45Å; I62-F164 HydrophobicContact CG2-CE1 4.31Å; L86-F164 HydrophobicContact CD1-CD1 3.85Å; L86-F164 HydrophobicContact CD1-CD2 4.12Å; L86-F164 HydrophobicContact CD1-CE1 3.48Å; L86-F164 VanDerWaalsContact CD1-CE1 3.48Å; L86-F164 HydrophobicContact CD1-CE2 3.77Å; L86-F164 HydrophobicContact CD1-CG 4.16Å; L86-F164 HydrophobicContact CD1-CZ 3.44Å; L86-F164 VanDerWaalsContact CD1-CZ 3.44Å; L86-F164 HydrophobicContact CG-CE1 4.48Å; V160-F164 WeakPolarHBondContact O-CD2 3.22Å; E161-F164 PolarHBondContact O-N 3.28Å; K162-F164 PolarHBondContact O-N 3.1Å; F164-T168 WeakPolarHBondContact O-CB 3.23Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 PolarHBondContact O-OG1 3.42Å |
| 165 | T | 97.7 | Very high | 98 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -37 | -179 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | V50 E161 K162 T168 R169 | V50-T165 HydrophobicContact CG1-CG2 3.69Å; E161-T165 WeakPolarHBondContact O-CB 3.22Å; E161-T165 VanDerWaalsContact O-CG2 3.3Å; E161-T165 WeakPolarHBondContact O-CG2 3.23Å; E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3.1Å; K162-T165 WeakPolarHBondContact CA-OG1 3.08Å; K162-T165 PolarHBondContact O-N 3.2Å; K162-T165 PolarHBondContact O-OG1 2.94Å; T165-T168 PolarHBondContact O-N 3.04Å; T165-R169 WeakPolarHBondContact O-CB 3.33Å; T165-R169 PolarHBondContact O-N 2.76Å |
| 166 | D | 97.9 | Very high | 97.8 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -47 | 174.2 | -77.2 | -6.9 | 0 | 0 | 0 | 111.6 | I150 K162 T168 R169 D170 | I150-D166 HydrophobicContact CD1-CB 4.19Å; I150-D166 WeakPolarHBondContact CD1-OD2 3.44Å; K162-D166 IonicContact NZ-OD2 3.13Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 VanDerWaalsContact O-CB 3.26Å; K162-D166 WeakPolarHBondContact O-CB 3.06Å; K162-D166 PolarHBondContact O-N 2.77Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 2.76Å; D166-R169 PolarHBondContact O-N 2.76Å; D166-D170 VanDerWaalsContact O-CG 3.29Å; D166-D170 PolarHBondContact O-N 2.76Å |
| 167 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 174.6 | 175.8 | 59.8 | 0 | 0 | 0 | 111.2 | L11 L86 V117 V119 A163 R169 D170 I171 | L11-L167 HydrophobicContact CD1-CD2 4.16Å; L11-L167 HydrophobicContact CD2-CD2 4.08Å; L11-L167 HydrophobicContact CD2-CG 4.46Å; L86-L167 HydrophobicContact CD2-CB 4.4Å; L86-L167 HydrophobicContact CD2-CD2 3.78Å; L86-L167 HydrophobicContact CG-CD2 4.09Å; V117-L167 HydrophobicContact CB-CD1 4.09Å; V117-L167 HydrophobicContact CG1-CD1 3.83Å; V117-L167 WeakPolarHBondContact O-CD1 3.28Å; V119-L167 HydrophobicContact CG2-CB 3.89Å; V119-L167 HydrophobicContact CG2-CD1 4.26Å; A163-L167 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.04Å; L167-D170 PolarHBondContact O-N 2.81Å; L167-I171 HydrophobicContact CD1-CD1 3.82Å; L167-I171 HydrophobicContact CD1-CG1 4.29Å; L167-I171 HydrophobicContact CG-CD1 3.85Å; L167-I171 WeakPolarHBondContact O-CD1 3.31Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 3.02Å; L167-I171 VanDerWaalsContact O-N 3.1Å |
| 168 | T | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 179.2 | -56 | 0 | 0 | 0 | 0 | 111.4 | F9 I52 I58 L60 F164 T165 D166 Y172 | F9-T168 HydrophobicContact CD2-CG2 4.05Å; F9-T168 HydrophobicContact CE2-CG2 4.05Å; I52-T168 HydrophobicContact CG2-CG2 3.62Å; I58-T168 HydrophobicContact CB-CG2 3.98Å; I58-T168 HydrophobicContact CG1-CG2 4.05Å; I58-T168 HydrophobicContact CG2-CG2 4.01Å; L60-T168 WeakPolarHBondContact CD1-OG1 3.29Å; L60-T168 HydrophobicContact CD2-CG2 3.95Å; F164-T168 WeakPolarHBondContact O-CB 3.23Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 PolarHBondContact O-OG1 3.42Å; T165-T168 PolarHBondContact O-N 3.04Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 2.76Å; T168-Y172 VanDerWaalsContact O-CB 3.31Å; T168-Y172 WeakPolarHBondContact O-CB 3.37Å; T168-Y172 PolarHBondContact O-N 3.41Å |
| 169 | R | 97.8 | Very high | 97.6 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 179 | -175.5 | 175.6 | -86 | 129.6 | -3.8 | 111.6 | I52 T165 D166 L167 Y172 E173 | I52-R169 PolarHBondContact O-NH2 2.79Å; T165-R169 WeakPolarHBondContact O-CB 3.33Å; T165-R169 PolarHBondContact O-N 2.76Å; D166-R169 PolarHBondContact O-N 2.76Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.04Å; R169-Y172 PolarHBondContact O-N 3.14Å; R169-E173 PolarHBondContact O-N 3.16Å |
| 170 | D | 97.8 | Very high | 97.5 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.7 | -67.5 | -21.2 | 0 | 0 | 0 | 111.5 | V117 K148 D166 L167 Y172 E173 L174 | V117-D170 HydrophobicContact CG1-CB 4.1Å; K148-D170 VanDerWaalsContact CE-OD2 3.22Å; K148-D170 WeakPolarHBondContact CE-OD2 3.17Å; K148-D170 IonicContact NZ-OD1 3.54Å; K148-D170 PolarHBondContact NZ-OD1 2.9Å; K148-D170 IonicContact NZ-OD2 3.69Å; K148-D170 PolarHBondContact NZ-OD2 3.27Å; D166-D170 VanDerWaalsContact O-CG 3.29Å; D166-D170 PolarHBondContact O-N 2.76Å; L167-D170 PolarHBondContact O-N 2.81Å; D170-Y172 PolarHBondContact O-N 2.85Å; D170-E173 PolarHBondContact O-N 2.76Å; D170-L174 WeakPolarHBondContact O-CG 3.41Å; D170-L174 PolarHBondContact O-N 2.81Å |
| 171 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -44 | 176.1 | -62.6 | 156.9 | 0 | 0 | 0 | 110.8 | F9 L11 V83 V117 L167 E173 L174 V175 | F9-I171 HydrophobicContact CD1-CG2 4.18Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.3Å; F9-I171 HydrophobicContact CD2-CG2 3.69Å; F9-I171 HydrophobicContact CE1-CG2 4.04Å; F9-I171 HydrophobicContact CE2-CB 3.79Å; F9-I171 HydrophobicContact CE2-CG2 3.53Å; F9-I171 HydrophobicContact CG-CG2 4.04Å; F9-I171 HydrophobicContact CZ-CB 4.38Å; F9-I171 HydrophobicContact CZ-CG2 3.73Å; L11-I171 HydrophobicContact CD2-CD1 3.7Å; V83-I171 HydrophobicContact CG1-CD1 4.23Å; V83-I171 HydrophobicContact CG1-CG2 4.07Å; V83-I171 HydrophobicContact CG2-CG2 3.69Å; V117-I171 HydrophobicContact CB-CG1 3.91Å; V117-I171 HydrophobicContact CG1-CG1 4.34Å; V117-I171 HydrophobicContact CG2-CG1 3.91Å; L167-I171 HydrophobicContact CD1-CD1 3.82Å; L167-I171 HydrophobicContact CD1-CG1 4.29Å; L167-I171 HydrophobicContact CG-CD1 3.85Å; L167-I171 WeakPolarHBondContact O-CD1 3.31Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 3.02Å; L167-I171 VanDerWaalsContact O-N 3.1Å; I171-E173 VanDerWaalsContact C-N 3.33Å; I171-E173 PolarHBondContact O-N 3.29Å; I171-L174 PolarHBondContact O-N 3.44Å; I171-V175 HydrophobicContact CG2-CG2 4.41Å; I171-V175 WeakPolarHBondContact O-CG2 3.37Å; I171-V175 PolarHBondContact O-N 2.91Å |
| 172 | Y | 97.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 179.8 | 170.9 | -102.2 | 0 | 0 | 0 | 112.6 | L6 Y7 I52 E53 K56 I58 T168 R169 D170 V175 K176 | L6-Y172 HydrophobicContact CD2-CE2 3.92Å; Y7-Y172 HydrophobicContact CD2-CD2 4.19Å; Y7-Y172 HydrophobicContact CD2-CE2 4.39Å; Y7-Y172 HydrophobicContact CE2-CD2 4.24Å; Y7-Y172 HydrophobicContact CE2-CE2 4.14Å; I52-Y172 HydrophobicContact CD1-CD1 3.37Å; I52-Y172 HydrophobicContact CD1-CD2 3.36Å; I52-Y172 HydrophobicContact CD1-CE1 3.65Å; I52-Y172 HydrophobicContact CD1-CE2 3.66Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å; E53-Y172 WeakPolarHBondContact OE1-CE1 3.32Å; K56-Y172 WeakPolarHBondContact CD-OH 3.4Å; K56-Y172 PolarHBondContact NZ-OH 3.24Å; I58-Y172 HydrophobicContact CD1-CD2 4.19Å; T168-Y172 VanDerWaalsContact O-CB 3.31Å; T168-Y172 WeakPolarHBondContact O-CB 3.37Å; T168-Y172 PolarHBondContact O-N 3.41Å; R169-Y172 PolarHBondContact O-N 3.14Å; D170-Y172 PolarHBondContact O-N 2.85Å; Y172-V175 PolarHBondContact O-N 2.69Å; Y172-K176 HydrophobicContact CE1-CD 4.24Å; Y172-K176 VanDerWaalsContact O-CB 3.32Å; Y172-K176 WeakPolarHBondContact O-CB 3.23Å; Y172-K176 PolarHBondContact O-N 2.82Å |
| 173 | E | 97.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -37.9 | 175.7 | -77 | -63.1 | 137.7 | 0 | 0 | 112.1 | R169 D170 I171 K176 R177 | R169-E173 PolarHBondContact O-N 3.16Å; D170-E173 PolarHBondContact O-N 2.76Å; I171-E173 VanDerWaalsContact C-N 3.33Å; I171-E173 PolarHBondContact O-N 3.29Å; E173-K176 PolarHBondContact O-N 3.22Å; E173-K176 IonicContact OE1-NZ 3.56Å; E173-K176 PolarHBondContact OE1-NZ 3.19Å; E173-K176 VanDerWaalsContact OE1-NZ 3.09Å; E173-K176 IonicContact OE2-NZ 3.76Å; E173-R177 WeakPolarHBondContact O-CB 3.24Å; E173-R177 VanDerWaalsContact O-CG 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.46Å; E173-R177 PolarHBondContact O-N 3.11Å |
| 174 | L | 97.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 172.8 | -65.3 | 173.1 | 0 | 0 | 0 | 112 | V117 D170 I171 R177 G178 E179 I180 | V117-L174 HydrophobicContact CG2-CD1 3.48Å; V117-L174 VanDerWaalsContact CG2-CD1 3.48Å; D170-L174 WeakPolarHBondContact O-CG 3.41Å; D170-L174 PolarHBondContact O-N 2.81Å; I171-L174 PolarHBondContact O-N 3.44Å; L174-R177 PolarHBondContact O-N 3.11Å; L174-G178 PolarHBondContact O-N 3.04Å; L174-E179 HydrophobicContact CB-CB 4.34Å; L174-E179 HydrophobicContact CD2-CB 4.12Å; L174-E179 HydrophobicContact CD2-CG 4.48Å; L174-E179 WeakPolarHBondContact CD2-OE2 3.27Å; L174-E179 PolarHBondContact O-N 3.38Å; L174-I180 HydrophobicContact CB-CB 4.44Å; L174-I180 HydrophobicContact CB-CD1 3.88Å; L174-I180 HydrophobicContact CB-CG1 4.04Å; L174-I180 HydrophobicContact CD1-CD1 3.73Å; L174-I180 HydrophobicContact CD1-CG1 4.47Å; L174-I180 HydrophobicContact CG-CD1 4.48Å; L174-I180 PolarHBondContact O-N 3Å |
| 175 | V | 96.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | Y7 F9 I171 Y172 R177 G178 I180 V189 | Y7-V175 HydrophobicContact CD2-CG1 4.31Å; Y7-V175 HydrophobicContact CE1-CG1 4.2Å; Y7-V175 HydrophobicContact CE2-CG1 3.77Å; F9-V175 HydrophobicContact CE1-CG2 4.22Å; F9-V175 HydrophobicContact CZ-CG2 4.34Å; I171-V175 HydrophobicContact CG2-CG2 4.41Å; I171-V175 WeakPolarHBondContact O-CG2 3.37Å; I171-V175 PolarHBondContact O-N 2.91Å; Y172-V175 PolarHBondContact O-N 2.69Å; V175-R177 VanDerWaalsContact C-N 3.29Å; V175-R177 PolarHBondContact O-N 3.02Å; V175-G178 PolarHBondContact O-N 3.16Å; V175-G178 VanDerWaalsContact O-N 3.07Å; V175-I180 WeakPolarHBondContact CA-O 3.4Å; V175-I180 HydrophobicContact CG2-CB 4.07Å; V175-I180 HydrophobicContact CG2-CG2 4.05Å; V175-V189 HydrophobicContact CG2-CG1 4.25Å; V175-V189 HydrophobicContact CG2-CG2 4.13Å |
| 176 | K | 94.9 | Very high | 95.6 | Very high | 119 Ų | 119 | 60.7 Ų | 60.7 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -33.7 | 178.8 | -179.9 | -178.2 | 168.3 | -166.9 | 0 | 112.8 | Y172 E173 G178 | Y172-K176 HydrophobicContact CE1-CD 4.24Å; Y172-K176 VanDerWaalsContact O-CB 3.32Å; Y172-K176 WeakPolarHBondContact O-CB 3.23Å; Y172-K176 PolarHBondContact O-N 2.82Å; E173-K176 PolarHBondContact O-N 3.22Å; E173-K176 IonicContact OE1-NZ 3.56Å; E173-K176 PolarHBondContact OE1-NZ 3.19Å; E173-K176 VanDerWaalsContact OE1-NZ 3.09Å; E173-K176 IonicContact OE2-NZ 3.76Å; K176-G178 VanDerWaalsContact C-N 3.3Å |
| 177 | R | 97 | Very high | 95.4 | Very high | 175 Ų | 175 | 62.3 Ų | 62.3 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.2 | 175.5 | -68.5 | 172.5 | -173.7 | -158.7 | 0 | 113.6 | E173 L174 V175 E179 | E173-R177 WeakPolarHBondContact O-CB 3.24Å; E173-R177 VanDerWaalsContact O-CG 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.46Å; E173-R177 PolarHBondContact O-N 3.11Å; L174-R177 PolarHBondContact O-N 3.11Å; V175-R177 VanDerWaalsContact C-N 3.29Å; V175-R177 PolarHBondContact O-N 3.02Å; R177-E179 VanDerWaalsContact C-N 3.27Å; R177-E179 HydrophobicContact CB-CG 4.09Å; R177-E179 WeakPolarHBondContact CD-OE1 3.17Å; R177-E179 PolarHBondContact O-N 3.36Å |
| 178 | G | 95.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 11 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L174 V175 K176 I180 T181 | L174-G178 PolarHBondContact O-N 3.04Å; V175-G178 PolarHBondContact O-N 3.16Å; V175-G178 VanDerWaalsContact O-N 3.07Å; K176-G178 VanDerWaalsContact C-N 3.3Å; G178-I180 VanDerWaalsContact C-N 3.33Å; G178-T181 WeakPolarHBondContact O-CG2 3.46Å |
| 179 | E | 96.6 | Very high | 95.1 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -73.2 | -29.8 | 175.5 | -64.3 | 179.2 | -126.4 | 0 | 0 | 111.4 | Y114 L174 R177 | Y114-E179 WeakPolarHBondContact CE1-O 3.21Å; L174-E179 HydrophobicContact CB-CB 4.34Å; L174-E179 HydrophobicContact CD2-CB 4.12Å; L174-E179 HydrophobicContact CD2-CG 4.48Å; L174-E179 WeakPolarHBondContact CD2-OE2 3.27Å; L174-E179 PolarHBondContact O-N 3.38Å; R177-E179 VanDerWaalsContact C-N 3.27Å; R177-E179 HydrophobicContact CB-CG 4.09Å; R177-E179 WeakPolarHBondContact CD-OE1 3.17Å; R177-E179 PolarHBondContact O-N 3.36Å |
| 180 | I | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -120 | 114.9 | 167.8 | -64.1 | 175.5 | 0 | 0 | 0 | 108 | V83 Y114 V117 L174 V175 G178 W186 V189 | V83-I180 HydrophobicContact CG2-CD1 3.82Å; V83-I180 HydrophobicContact CG2-CG2 4.19Å; Y114-I180 HydrophobicContact CD1-CG1 4.26Å; Y114-I180 HydrophobicContact CD2-CG2 4.04Å; Y114-I180 HydrophobicContact CE2-CG2 4.13Å; Y114-I180 HydrophobicContact CG-CG1 4.2Å; Y114-I180 HydrophobicContact CG-CG2 4.42Å; V117-I180 HydrophobicContact CG2-CD1 4.48Å; L174-I180 HydrophobicContact CB-CB 4.44Å; L174-I180 HydrophobicContact CB-CD1 3.88Å; L174-I180 HydrophobicContact CB-CG1 4.04Å; L174-I180 HydrophobicContact CD1-CD1 3.73Å; L174-I180 HydrophobicContact CD1-CG1 4.47Å; L174-I180 HydrophobicContact CG-CD1 4.48Å; L174-I180 PolarHBondContact O-N 3Å; V175-I180 WeakPolarHBondContact CA-O 3.4Å; V175-I180 HydrophobicContact CG2-CB 4.07Å; V175-I180 HydrophobicContact CG2-CG2 4.05Å; G178-I180 VanDerWaalsContact C-N 3.33Å; I180-W186 HydrophobicContact CG2-CH2 3.76Å; I180-W186 HydrophobicContact CG2-CZ3 3.88Å; I180-V189 HydrophobicContact CG2-CG2 3.84Å |
| 181 | T | 95.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 60.7 Ų | 60.7 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | trans | -108.4 | 154 | 176 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | Y114 G178 Q183 | Y114-T181 WeakPolarHBondContact CE2-O 3.46Å; Y114-T181 PolarHBondContact OH-N 2.66Å; Y114-T181 VanDerWaalsContact OH-N 3.12Å; Y114-T181 PolarHBondContact OH-O 2.85Å; Y114-T181 PolarHBondContact OH-OG1 2.96Å; G178-T181 WeakPolarHBondContact O-CG2 3.46Å; T181-Q183 PolarHBondContact O-N 3.17Å | ||
| 182 | I | 94 | Very high | 94.1 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 42% | 0.415 | 33% | 0.326 | S | S | . | . | trans | -65.9 | 129.5 | 170.8 | -62.9 | 167.3 | 0 | 0 | 0 | 108 | Y7 V189 | Y7-I182 HydrophobicContact CD1-CD1 4.13Å; Y7-I182 HydrophobicContact CE1-CD1 3.95Å; I182-V189 HydrophobicContact CG1-CB 4.37Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å | ||
| 183 | Q | 91.1 | Very high | 93 | Very high | 77 Ų | 77 | 66.5 Ų | 66.5 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | trans | -122 | 145.8 | 177 | -60.3 | -168.6 | 18.2 | 0 | 0 | 110.4 | Y114 T181 G185 W186 | Y114-Q183 HydrophobicContact CE2-CG 4.31Å; Y114-Q183 PolarHBondContact OH-NE2 2.96Å; T181-Q183 PolarHBondContact O-N 3.17Å; Q183-G185 PolarHBondContact O-N 3.05Å; Q183-W186 HydrophobicContact CB-CB 4.13Å; Q183-W186 PolarHBondContact O-N 2.96Å | ||
| 184 | E | 89 | Confident | 90.9 | Very high | 201 Ų | 201 | 70.1 Ų | 70.1 | 94% | 0.939 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 135.1 | 172.5 | -168.8 | 176.2 | -178.6 | 0 | 0 | 110.3 | W186 | E184-W186 PolarHBondContact O-N 2.96Š|
| 185 | G | 87.7 | Confident | 88.3 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 78% | 0.784 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -8.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q183 | Q183-G185 PolarHBondContact O-N 3.05Š|
| 186 | W | 92.2 | Very high | 85.5 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 5% | 0.053 | 43% | 0.427 | C | S | . | . | trans | -98.8 | 133 | 173.1 | -177.3 | 60.3 | 0 | 0 | 0 | 111.5 | V83 Q112 P113 Y114 I180 Q183 E184 V189 | V83-W186 HydrophobicContact CB-CH2 3.97Å; V83-W186 HydrophobicContact CB-CZ2 4.07Å; V83-W186 HydrophobicContact CG2-CH2 3.83Å; V83-W186 HydrophobicContact CG2-CZ2 4.31Å; Q112-W186 PolarHBondContact O-NE1 3.46Å; P113-W186 VanDerWaalsContact CD-NE1 3.32Å; P113-W186 HydrophobicContact CG-CD2 4.35Å; P113-W186 HydrophobicContact CG-CG 4.35Å; Y114-W186 HydrophobicContact CD2-CE3 4.2Å; Y114-W186 AromaticContact CD2-CH2 3.46Å; Y114-W186 HydrophobicContact CD2-CH2 3.46Å; Y114-W186 VanDerWaalsContact CD2-CH2 3.46Å; Y114-W186 AromaticContact CD2-CZ2 3.87Å; Y114-W186 HydrophobicContact CD2-CZ2 3.87Å; Y114-W186 AromaticContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CE2-CE3 4.14Å; Y114-W186 HydrophobicContact CE2-CH2 4.06Å; Y114-W186 AromaticContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CG-CH2 4.45Å; I180-W186 HydrophobicContact CG2-CH2 3.76Å; I180-W186 HydrophobicContact CG2-CZ3 3.88Å; Q183-W186 HydrophobicContact CB-CB 4.13Å; Q183-W186 PolarHBondContact O-N 2.96Å; E184-W186 PolarHBondContact O-N 2.96Å; W186-V189 HydrophobicContact CH2-CB 4.5Å; W186-V189 HydrophobicContact CH2-CG2 3.94Å; W186-V189 HydrophobicContact CZ3-CB 3.95Å; W186-V189 HydrophobicContact CZ3-CG2 3.86Å | ||
| 187 | E | 92.7 | Very high | 82.8 | Confident | 60 Ų | 60 | 79 Ų | 79 | 28% | 0.28 | 44% | 0.436 | S | S | . | . | trans | -103.1 | 4.8 | -175.3 | -47 | -162.7 | 116.9 | 0 | 0 | 114.9 | R10 N81 K190 | R10-E187 WeakPolarHBondContact CB-O 3.37Å; R10-E187 IonicContact CZ-OE2 3.09Å; R10-E187 IonicContact NH1-OE2 3.97Å; R10-E187 PolarHBondContact NH1-OE2 2.72Å; N81-E187 HydrophobicContact CB-CB 3.97Å; E187-K190 IonicContact OE1-NZ 2.72Å; E187-K190 PolarHBondContact OE1-NZ 3.43Å | ||
| 188 | G | 94.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -62.7 | -43.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F9 R10 N81 V83 | F9-G188 WeakPolarHBondContact CA-O 3.41Å; R10-G188 PolarHBondContact N-O 2.8Å; N81-G188 WeakPolarHBondContact O-CA 3.29Å; N81-G188 PolarHBondContact O-N 3.12Å; V83-G188 WeakPolarHBondContact CG1-O 3.26Å |
| 189 | V | 96.8 | Very high | 77 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 126.2 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | Y7 Q8 F9 V83 V175 I180 I182 W186 | Y7-V189 HydrophobicContact CD1-CG1 4.16Å; Y7-V189 HydrophobicContact CG-CG1 4.43Å; Q8-V189 WeakPolarHBondContact O-CA 3.16Å; F9-V189 HydrophobicContact CD1-CB 4.39Å; F9-V189 HydrophobicContact CD1-CG1 3.99Å; F9-V189 HydrophobicContact CD1-CG2 3.93Å; F9-V189 HydrophobicContact CE1-CG1 3.77Å; F9-V189 HydrophobicContact CE1-CG2 4.09Å; V83-V189 HydrophobicContact CB-CG2 4.13Å; V83-V189 HydrophobicContact CG1-CG2 4.18Å; V83-V189 HydrophobicContact CG2-CG2 3.77Å; V175-V189 HydrophobicContact CG2-CG1 4.25Å; V175-V189 HydrophobicContact CG2-CG2 4.13Å; I180-V189 HydrophobicContact CG2-CG2 3.84Å; I182-V189 HydrophobicContact CG1-CB 4.37Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å; W186-V189 HydrophobicContact CH2-CB 4.5Å; W186-V189 HydrophobicContact CH2-CG2 3.94Å; W186-V189 HydrophobicContact CZ3-CB 3.95Å; W186-V189 HydrophobicContact CZ3-CG2 3.86Å |
| 190 | K | 95 | Very high | 74.2 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 33% | 0.326 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.9 | 170.7 | -59.4 | -172.7 | -178.2 | -178 | 0 | 110.6 | Y7 Q8 E187 | Y7-K190 CarbonylContact C-O 3.46Å; Y7-K190 VanDerWaalsContact CA-O 3.22Å; Y7-K190 WeakPolarHBondContact CA-O 3.14Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 2.76Å; Q8-K190 PolarHBondContact O-N 3.3Å; E187-K190 IonicContact OE1-NZ 2.72Å; E187-K190 PolarHBondContact OE1-NZ 3.43Å |
| 191 | S | 92 | Very high | 71.2 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 142 | 169.5 | -177.1 | 0 | 0 | 0 | 0 | 110 | F193 | S191-F193 VanDerWaalsContact C-N 3.31Å; S191-F193 PolarHBondContact OG-N 2.76Å; S191-F193 VanDerWaalsContact OG-N 3.14Å |
| 192 | G | 85.2 | Confident | 68.4 | Low | 14 Ų | 14 | 91.4 Ų | 91.4 | 14% | 0.144 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -79.3 | -15.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A3 W5 L6 V194 | A3-G192 WeakPolarHBondContact CB-O 3.22Å; W5-G192 WeakPolarHBondContact O-CA 3.27Å; L6-G192 PolarHBondContact O-N 2.8Å; G192-V194 PolarHBondContact O-N 2.75Å |
| 193 | F | 74.9 | Confident | 65.6 | Low | 119 Ų | 119 | 96 Ų | 96 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | trans | -79.3 | 108.6 | 169.9 | -64.1 | -83 | 0 | 0 | 0 | 109 | A3 L6 S191 P195 | A3-F193 HydrophobicContact CB-CD1 3.85Å; A3-F193 HydrophobicContact CB-CD2 4.45Å; A3-F193 HydrophobicContact CB-CE1 3.89Å; A3-F193 HydrophobicContact CB-CE2 4.48Å; A3-F193 HydrophobicContact CB-CG 4.14Å; A3-F193 HydrophobicContact CB-CZ 4.21Å; L6-F193 HydrophobicContact CD1-CE2 3.84Å; S191-F193 VanDerWaalsContact C-N 3.31Å; S191-F193 PolarHBondContact OG-N 2.76Å; S191-F193 VanDerWaalsContact OG-N 3.14Å; F193-P195 WeakPolarHBondContact O-CD 3.49Å | ||
| 194 | V | 53.5 | Low | 63 | Low | 127 Ų | 127 | 98.8 Ų | 98.8 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | trans | -74.8 | 115.5 | 158 | -173 | 0 | 0 | 0 | 0 | 105 | G192 N196 | G192-V194 PolarHBondContact O-N 2.75Å; V194-N196 PolarHBondContact O-N 3.17Å; V194-N196 VanDerWaalsContact O-N 3.08Å | ||
| 195 | P | 42.6 | Very low | 60.6 | Low | 99 Ų | 99 | 95.2 Ų | 95.2 | 64% | 0.643 | 55% | 0.548 | S | S | * | . | trans | -55.7 | 124 | 170.9 | -16.7 | 29.1 | 0 | 0 | 0 | 106.1 | F193 V197 | F193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-V197 PolarHBondContact O-N 2.77Å | ||
| 196 | N | 38.7 | Very low | 58.1 | Low | 149 Ų | 149 | 100.8 Ų | 100.8 | 80% | 0.797 | 55% | 0.551 | S | S | * | * | trans | -56.6 | 100.2 | 160.2 | -80.6 | -22.3 | 0 | 0 | 0 | 104.6 | V194 V198 | V194-N196 PolarHBondContact O-N 3.17Å; V194-N196 VanDerWaalsContact O-N 3.08Å; N196-V198 HydrophobicContact CB-CG2 4.5Å; N196-V198 PolarHBondContact O-N 2.91Å | ||
| 197 | V | 36.9 | Very low | 55.6 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | trans | -64 | 90.4 | 161.7 | 179.8 | 0 | 0 | 0 | 0 | 103 | P195 H199 | P195-V197 PolarHBondContact O-N 2.77Å; V197-H199 VanDerWaalsContact C-N 3.26Å; V197-H199 PolarHBondContact O-N 2.64Å | ||
| 198 | V | 36.5 | Very low | 52.9 | Low | 122 Ų | 122 | 110.2 Ų | 110.2 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | trans | -61.1 | 103.7 | 166.2 | -175.3 | 0 | 0 | 0 | 0 | 102.7 | N196 S200 | N196-V198 HydrophobicContact CB-CG2 4.5Å; N196-V198 PolarHBondContact O-N 2.91Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.17Å | ||
| 199 | H | 35.8 | Very low | 50.3 | Low | 164 Ų | 164 | 121 Ų | 121 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | trans | -52.2 | 102.8 | 165.9 | -91.1 | -72.6 | 0 | 0 | 0 | 105.8 | V197 S201 | V197-H199 VanDerWaalsContact C-N 3.26Å; V197-H199 PolarHBondContact O-N 2.64Å; H199-S201 VanDerWaalsContact C-N 3.3Å; H199-S201 PolarHBondContact O-N 3.44Å | ||
| 200 | S | 36.4 | Very low | 47.7 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | trans | -62.4 | 104.5 | 163 | 45.6 | 0 | 0 | 0 | 0 | 104.9 | V198 E202 | V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.17Å; S200-E202 PolarHBondContact O-N 2.97Å | ||
| 201 | S | 34.3 | Very low | 45 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -61.9 | 75.2 | 165.1 | -44.1 | 0 | 0 | 0 | 0 | 107.3 | H199 E203 | H199-S201 VanDerWaalsContact C-N 3.3Å; H199-S201 PolarHBondContact O-N 3.44Å; S201-E203 PolarHBondContact O-N 3.22Å | ||
| 202 | E | 37.2 | Very low | 42.6 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -70.7 | 113.2 | 169.8 | -80.2 | -176.5 | 164.7 | 0 | 0 | 107.3 | S200 V204 | S200-E202 PolarHBondContact O-N 2.97Å; E202-V204 PolarHBondContact O-N 2.56Å | ||
| 203 | E | 35.1 | Very low | 41.1 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -49.2 | 117.4 | -179 | -66.6 | 170.5 | 139 | 0 | 0 | 110.6 | S201 V205 | S201-E203 PolarHBondContact O-N 3.22Å; E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 3.33Å | ||
| 204 | V | 36.1 | Very low | 39.4 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -68.8 | 89.9 | 167.7 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | E202 K206 | E202-V204 PolarHBondContact O-N 2.56Å; V204-K206 PolarHBondContact O-N 2.92Å | ||
| 205 | V | 38 | Very low | 38.6 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 104.4 | 166.8 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | E203 S207 | E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 3.33Å; V205-S207 PolarHBondContact O-N 3.07Å | ||
| 206 | K | 35.8 | Very low | 38.4 | Very low | 193 Ų | 193 | 152.4 Ų | 152.4 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -59.6 | 97.3 | 170.9 | -78.1 | 178.7 | 174 | 177.2 | 0 | 109.3 | V204 E208 | V204-K206 PolarHBondContact O-N 2.92Å; K206-E208 PolarHBondContact O-N 3.16Å | ||
| 207 | S | 38.8 | Very low | 38.4 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | -83 | 108.7 | 164.4 | 82.7 | 0 | 0 | 0 | 0 | 108.9 | V205 R209 | V205-S207 PolarHBondContact O-N 3.07Å; S207-R209 PolarHBondContact O-N 2.87Å | ||
| 208 | E | 37.6 | Very low | 38.5 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -58.6 | 103.6 | 168.9 | -67.4 | 179.6 | 154.4 | 0 | 0 | 110.1 | K206 | K206-E208 PolarHBondContact O-N 3.16Š| ||
| 209 | R | 40 | Very low | 38.6 | Very low | 227 Ų | 227 | 156.9 Ų | 156.9 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -96.4 | 105.4 | 164 | -71.5 | -168.7 | -172.9 | -166.2 | 2.8 | 108.5 | S207 C211 | S207-R209 PolarHBondContact O-N 2.87Å; R209-C211 PolarHBondContact O-N 3.11Å | ||
| 210 | R | 40.9 | Very low | 38.8 | Very low | 228 Ų | 228 | 156.4 Ų | 156.4 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -55.6 | 122.8 | 168.1 | -77.8 | 176.5 | 174.6 | 170.3 | -2.1 | 109.4 | L212 | R210-L212 PolarHBondContact O-N 3.44Š| ||
| 211 | C | 39.1 | Very low | 39 | Very low | 110 Ų | 110 | 161.7 Ų | 161.7 | 74% | 0.743 | 84% | 0.837 | S | S | * | * | trans | -69.7 | 122.3 | 168.8 | -158.8 | 0 | 0 | 0 | 0 | 108.4 | R209 C213 | R209-C211 PolarHBondContact O-N 3.11Å; C211-C213 VanDerWaalsContact SG-SG 3.64Å | ||
| 212 | L | 40.5 | Very low | 39.4 | Very low | 170 Ų | 170 | 165.6 Ų | 165.6 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | trans | -116.4 | 78.8 | 168.9 | -85.8 | 158.8 | 0 | 0 | 0 | 106.7 | R210 | R210-L212 PolarHBondContact O-N 3.44Š| ||
| 213 | C | 53.9 | Low | 39.6 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 100% | 1.216 | 84% | 0.844 | S | S | * | * | trans | -164.1 | 0 | 159 | 42.7 | 0 | 0 | 0 | 0 | 109 | C211 | C211-C213 VanDerWaalsContact SG-SG 3.64Š|
Retrieved 213 of 213 residues in 46.8 ms
(Link to these results)