| 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 | 33.9 | Very low | 58.3 | Low | 247 Ų | 247 | 123.7 Ų | 123.7 | 100% | 1.217 | 67% | 0.669 | S | S | * | * | 0 | 94.6 | 0 | -69.7 | 179.3 | -172.2 | 0 | 0 | 107.2 | A3 | M1-A3 PolarHBondContact O-N 2.95Š| |||
| 2 | T | 34.4 | Very low | 61.7 | Low | 139 Ų | 139 | 120.3 Ų | 120.3 | 85% | 0.853 | 64% | 0.639 | S | S | * | * | trans | -69 | 113.1 | 176.2 | 1.7 | 0 | 0 | 0 | 0 | 107.1 | V4 | T2-V4 PolarHBondContact O-N 3.36Š| ||
| 3 | A | 37.6 | Very low | 64.6 | Low | 86 Ų | 86 | 111 Ų | 111 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | trans | -57 | 111.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | M1 T5 | M1-A3 PolarHBondContact O-N 2.95Å; A3-T5 PolarHBondContact O-N 2.66Å | ||
| 4 | V | 40.1 | Very low | 67 | Low | 139 Ų | 139 | 103.1 Ų | 103.1 | 84% | 0.842 | 55% | 0.548 | S | S | * | . | trans | -67.5 | 93.5 | 166.7 | 177.8 | 0 | 0 | 0 | 0 | 104.8 | T2 R6 | T2-V4 PolarHBondContact O-N 3.36Å; V4-R6 PolarHBondContact O-N 2.99Å | ||
| 5 | T | 44.4 | Very low | 69.1 | Low | 120 Ų | 120 | 96.2 Ų | 96.2 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | trans | -58.4 | 106.2 | 172.7 | -44.6 | 0 | 0 | 0 | 0 | 106.2 | A3 V7 | A3-T5 PolarHBondContact O-N 2.66Å; T5-V7 PolarHBondContact O-N 3.46Å | ||
| 6 | R | 46.9 | Very low | 71 | Confident | 228 Ų | 228 | 90.2 Ų | 90.2 | 86% | 0.86 | 48% | 0.479 | S | S | * | . | trans | -63.3 | 101.5 | 177.5 | -172.4 | 177.7 | 178.7 | -178.5 | -0.5 | 106.8 | V4 M8 | V4-R6 PolarHBondContact O-N 2.99Å; R6-M8 PolarHBondContact O-N 3.44Å | ||
| 7 | V | 57.5 | Low | 72.6 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 58% | 0.576 | 45% | 0.451 | S | S | * | . | trans | -54.6 | 117.5 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 106.1 | T5 S9 | T5-V7 PolarHBondContact O-N 3.46Å; V7-S9 PolarHBondContact O-N 3.12Å; V7-S9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | M | 68.3 | Low | 74.1 | Confident | 125 Ų | 125 | 80.2 Ų | 80.2 | 62% | 0.616 | 43% | 0.426 | S | S | * | . | trans | -64.3 | 117.5 | 174 | -74.9 | -168.4 | -178.7 | 0 | 0 | 107.1 | R6 K10 F152 | R6-M8 PolarHBondContact O-N 3.44Å; M8-K10 PolarHBondContact O-N 2.88Å; M8-F152 HydrophobicContact CB-CD1 3.99Å; M8-F152 HydrophobicContact CB-CE1 4.19Å; M8-F152 HydrophobicContact SD-CE1 4.14Å | ||
| 9 | S | 85.1 | Confident | 75.4 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -70.4 | -16.2 | -178.1 | 56.5 | 0 | 0 | 0 | 0 | 113 | V7 L255 | V7-S9 PolarHBondContact O-N 3.12Å; V7-S9 VanDerWaalsContact O-N 3.13Å; S9-L255 WeakPolarHBondContact O-CB 2.94Å; S9-L255 PolarHBondContact O-N 2.85Å |
| 10 | K | 95.3 | Very high | 76.5 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.1 | 178.8 | -54.1 | -168.4 | -173.4 | -145.5 | 0 | 112 | M8 I253 D254 | M8-K10 PolarHBondContact O-N 2.88Å; K10-I253 VanDerWaalsContact CA-O 3.23Å; K10-I253 WeakPolarHBondContact CA-O 3.37Å; K10-D254 HydrophobicContact CD-CB 4.34Å; K10-D254 VanDerWaalsContact CE-CG 3.43Å; K10-D254 WeakPolarHBondContact CE-OD2 3.47Å; K10-D254 HydrophobicContact CG-CB 4.2Å; K10-D254 IonicContact NZ-OD2 2.66Å; K10-D254 PolarHBondContact NZ-OD2 3Å |
| 11 | F | 98.2 | Very high | 77.5 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 4% | 0.039 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155 | 168.7 | 69.7 | -84.9 | 0 | 0 | 0 | 110.7 | L13 K44 V45 F152 L179 I253 | F11-L13 HydrophobicContact CE2-CB 4.35Å; F11-K44 HydrophobicContact CB-CB 4.36Å; F11-K44 HydrophobicContact CB-CG 4.44Å; F11-V45 HydrophobicContact CD2-CB 4.5Å; F11-V45 HydrophobicContact CD2-CG2 3.92Å; F11-V45 HydrophobicContact CE2-CB 4.15Å; F11-V45 HydrophobicContact CE2-CG2 3.66Å; F11-F152 HydrophobicContact CB-CB 4.5Å; F11-F152 HydrophobicContact CB-CD1 3.71Å; F11-F152 HydrophobicContact CB-CD2 3.93Å; F11-F152 HydrophobicContact CB-CE1 3.83Å; F11-F152 HydrophobicContact CB-CE2 4.05Å; F11-F152 HydrophobicContact CB-CG 3.77Å; F11-F152 HydrophobicContact CB-CZ 4.01Å; F11-F152 HydrophobicContact CD1-CB 3.46Å; F11-F152 VanDerWaalsContact CD1-CB 3.46Å; F11-F152 HydrophobicContact CD1-CD1 4.24Å; F11-F152 HydrophobicContact CD1-CD2 4.04Å; F11-F152 AromaticContact CD1-CG 3.65Å; F11-F152 HydrophobicContact CD1-CG 3.65Å; F11-F152 HydrophobicContact CD2-CD2 4.15Å; F11-F152 HydrophobicContact CE1-CB 3.83Å; F11-F152 HydrophobicContact CE1-CG 4.36Å; F11-F152 HydrophobicContact CG-CB 4.09Å; F11-F152 HydrophobicContact CG-CD1 4.2Å; F11-F152 AromaticContact CG-CD2 3.78Å; F11-F152 HydrophobicContact CG-CD2 3.78Å; F11-F152 HydrophobicContact CG-CE2 4.28Å; F11-F152 AromaticContact CG-CG 3.74Å; F11-F152 HydrophobicContact CG-CG 3.74Å; F11-L179 HydrophobicContact CZ-CD2 4.2Å; F11-I253 HydrophobicContact CD1-CB 3.97Å; F11-I253 HydrophobicContact CD1-CG2 4.28Å; F11-I253 HydrophobicContact CD2-CB 4.45Å; F11-I253 HydrophobicContact CD2-CG1 4.43Å; F11-I253 HydrophobicContact CE1-CB 3.56Å; F11-I253 HydrophobicContact CE1-CG1 4.2Å; F11-I253 HydrophobicContact CE1-CG2 3.48Å; F11-I253 VanDerWaalsContact CE1-CG2 3.48Å; F11-I253 HydrophobicContact CE2-CB 4.07Å; F11-I253 HydrophobicContact CE2-CG1 3.83Å; F11-I253 HydrophobicContact CG-CB 4.41Å; F11-I253 HydrophobicContact CZ-CB 3.61Å; F11-I253 HydrophobicContact CZ-CG1 3.71Å; F11-I253 HydrophobicContact CZ-CG2 3.67Å; F11-I253 PolarHBondContact N-O 2.85Å; F11-I253 PolarHBondContact O-N 2.79Å |
| 12 | R | 98.7 | Very high | 80.5 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.4 | 177.2 | -175.7 | 161.6 | -73 | -173 | -8.3 | 111.1 | Q41 K44 V45 Y250 D252 | R12-Q41 WeakPolarHBondContact CD-O 3.45Å; R12-Q41 PolarHBondContact NH1-O 3.44Å; R12-K44 PolarHBondContact O-N 3.31Å; R12-V45 PolarHBondContact O-N 2.84Å; R12-Y250 HydrophobicContact CG-CD1 4.38Å; R12-D252 WeakPolarHBondContact CB-OD1 3.43Å; R12-D252 IonicContact CZ-OD1 3.76Å; R12-D252 IonicContact CZ-OD2 3.21Å; R12-D252 IonicContact NE-OD1 2.77Å; R12-D252 PolarHBondContact NE-OD1 2.95Å; R12-D252 IonicContact NE-OD2 3.68Å; R12-D252 IonicContact NH2-OD1 3.36Å; R12-D252 PolarHBondContact NH2-OD1 3.17Å; R12-D252 IonicContact NH2-OD2 2.95Å; R12-D252 PolarHBondContact NH2-OD2 2.92Å |
| 13 | L | 98.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.4 | 168.5 | 175.8 | 65.7 | 0 | 0 | 0 | 108.9 | F11 V15 V45 L179 A211 V231 Y250 A251 I253 | F11-L13 HydrophobicContact CE2-CB 4.35Å; L13-V15 HydrophobicContact CD2-CG2 3.99Å; L13-V15 HydrophobicContact CG-CG2 3.94Å; L13-V45 WeakPolarHBondContact CA-O 3.49Å; L13-V45 HydrophobicContact CD1-CB 3.84Å; L13-V45 HydrophobicContact CD1-CG1 3.73Å; L13-L179 HydrophobicContact CD2-CD1 4.44Å; L13-L179 HydrophobicContact CD2-CD2 4.4Å; L13-A211 HydrophobicContact CD2-CB 3.49Å; L13-A211 VanDerWaalsContact CD2-CB 3.49Å; L13-V231 HydrophobicContact CD2-CG2 4.21Å; L13-Y250 WeakPolarHBondContact O-CA 3.44Å; L13-A251 PolarHBondContact N-O 3.17Å; L13-A251 PolarHBondContact O-N 2.74Å; L13-I253 HydrophobicContact CB-CD1 4.22Å; L13-I253 HydrophobicContact CB-CG1 3.82Å; L13-I253 HydrophobicContact CD2-CD1 4.16Å; L13-I253 HydrophobicContact CD2-CG1 4.44Å |
| 14 | A | 98.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A38 V45 V46 L47 I248 I249 Y250 | A14-A38 HydrophobicContact CB-CB 3.56Å; A14-V45 PolarHBondContact N-O 3Å; A14-V46 HydrophobicContact CB-CG2 4.26Å; A14-V46 CarbonylContact O-C 3.55Å; A14-V46 WeakPolarHBondContact O-CA 3.39Å; A14-L47 PolarHBondContact O-N 3.18Å; A14-I248 HydrophobicContact CB-CG2 4Å; A14-I249 WeakPolarHBondContact CA-O 3.42Å; A14-Y250 HydrophobicContact CB-CD1 3.75Å; A14-Y250 HydrophobicContact CB-CE1 3.66Å |
| 15 | V | 98.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.1 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | L13 L47 A211 T212 A213 V231 I248 I249 | L13-V15 HydrophobicContact CD2-CG2 3.99Å; L13-V15 HydrophobicContact CG-CG2 3.94Å; V15-L47 HydrophobicContact CG1-CD2 4.2Å; V15-L47 HydrophobicContact CG2-CB 4.49Å; V15-A211 HydrophobicContact CG2-CB 4.26Å; V15-T212 WeakPolarHBondContact CG1-O 3.42Å; V15-A213 HydrophobicContact CG1-CB 3.66Å; V15-V231 HydrophobicContact CG2-CG2 3.73Å; V15-I248 WeakPolarHBondContact O-CA 3.46Å; V15-I249 HydrophobicContact CB-CD1 4.23Å; V15-I249 HydrophobicContact CB-CG1 3.69Å; V15-I249 HydrophobicContact CG1-CG1 4.44Å; V15-I249 HydrophobicContact CG2-CG1 4.35Å; V15-I249 PolarHBondContact N-O 2.86Å; V15-I249 PolarHBondContact O-N 2.98Å |
| 16 | V | 98.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.9 | -175 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | L18 L34 V46 L47 L48 P49 I248 | V16-L18 HydrophobicContact CG1-CB 4.42Å; V16-L34 HydrophobicContact CG1-CB 4.14Å; V16-L34 HydrophobicContact CG1-CD1 3.74Å; V16-V46 HydrophobicContact CG2-CG1 3.88Å; V16-L47 PolarHBondContact N-O 2.82Å; V16-L48 HydrophobicContact CB-CD2 3.84Å; V16-L48 HydrophobicContact CG1-CD2 4.11Å; V16-L48 HydrophobicContact CG2-CD2 3.94Å; V16-P49 WeakPolarHBondContact O-CD 3.23Å; V16-I248 HydrophobicContact CG2-CG1 4.38Å; V16-I248 HydrophobicContact CG2-CG2 4.46Å |
| 17 | Q | 98.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 101 | 167.5 | -180 | 155.4 | -65.4 | 0 | 0 | 108.8 | S214 A216 S229 G243 H244 E245 E246 S247 | Q17-S214 VanDerWaalsContact CA-O 3.27Å; Q17-S214 WeakPolarHBondContact CA-O 3.34Å; Q17-S214 WeakPolarHBondContact CG-O 3.45Å; Q17-A216 HydrophobicContact CG-CB 3.99Å; Q17-S229 WeakPolarHBondContact CB-OG 3.48Å; Q17-S229 PolarHBondContact OE1-OG 3.29Å; Q17-G243 PolarHBondContact NE2-O 2.87Å; Q17-H244 VanDerWaalsContact NE2-C 3.34Å; Q17-E245 PolarHBondContact NE2-O 2.8Å; Q17-E246 VanDerWaalsContact O-CA 3.29Å; Q17-E246 WeakPolarHBondContact O-CA 3.41Å; Q17-E246 WeakPolarHBondContact O-CG 3.48Å; Q17-S247 PolarHBondContact N-O 2.71Å; Q17-S247 PolarHBondContact O-N 2.77Å |
| 18 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -94.8 | 134.2 | -171.4 | -177.6 | 70 | 0 | 0 | 0 | 111.7 | V16 V20 K30 V31 L34 P49 F52 P215 A216 | V16-L18 HydrophobicContact CG1-CB 4.42Å; L18-V20 HydrophobicContact CD2-CG2 4.16Å; L18-V20 HydrophobicContact CG-CG2 4.35Å; L18-V20 PolarHBondContact O-N 3.13Å; L18-K30 HydrophobicContact CD1-CB 3.74Å; L18-K30 HydrophobicContact CD1-CD 4.01Å; L18-V31 HydrophobicContact CD1-CG2 4.39Å; L18-V31 HydrophobicContact CD2-CG2 3.67Å; L18-L34 HydrophobicContact CD1-CD1 3.61Å; L18-P49 HydrophobicContact CB-CG 3.85Å; L18-F52 HydrophobicContact CD2-CB 3.94Å; L18-F52 HydrophobicContact CD2-CD2 4.22Å; L18-P215 CarbonylContact O-C 3.56Å; L18-P215 WeakPolarHBondContact O-CA 3.45Å; L18-A216 PolarHBondContact O-N 3.1Å | ||
| 19 | Q | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 37.5 Ų | 37.5 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | trans | -76.7 | 101.8 | 163.8 | -175.1 | 73.7 | 36.7 | 0 | 0 | 109.3 | K30 A216 R217 D218 E246 | Q19-K30 PolarHBondContact O-NZ 2.96Å; Q19-K30 VanDerWaalsContact O-NZ 3.12Å; Q19-A216 HydrophobicContact CB-CB 4.18Å; Q19-R217 PolarHBondContact OE1-O 2.82Å; Q19-D218 VanDerWaalsContact NE2-CB 3.34Å; Q19-E246 HydrophobicContact CB-CB 4.09Å; Q19-E246 HydrophobicContact CB-CG 4.38Å; Q19-E246 WeakPolarHBondContact CB-OE2 3.49Å; Q19-E246 PolarHBondContact N-OE2 2.92Å | ||
| 20 | V | 98.4 | Very high | 98.4 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 13% | 0.127 | 20% | 0.203 | C | C | . | . | trans | -79.8 | 137.4 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | L18 S54 P215 | L18-V20 HydrophobicContact CD2-CG2 4.16Å; L18-V20 HydrophobicContact CG-CG2 4.35Å; L18-V20 PolarHBondContact O-N 3.13Å; V20-S54 WeakPolarHBondContact CG1-O 3.2Å; V20-P215 HydrophobicContact CG2-CB 4.02Å; V20-P215 HydrophobicContact CG2-CG 4.42Å | ||
| 21 | S | 97 | Very high | 98.5 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | trans | -122.5 | 174.7 | 175.6 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | D23 N26 N27 | S21-D23 PolarHBondContact O-N 3.4Å; S21-D23 PolarHBondContact OG-N 3.29Å; S21-D23 PolarHBondContact OG-O 3.26Å; S21-N26 PolarHBondContact OG-ND2 2.92Å; S21-N27 PolarHBondContact N-OD1 3.05Å; S21-N27 PolarHBondContact O-ND2 2.89Å; S21-N27 PolarHBondContact OG-OD1 3.15Å | ||
| 22 | S | 97.3 | Very high | 98.5 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 58% | 0.58 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -74.2 | -12.3 | 172.5 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | Y64 | S22-Y64 WeakPolarHBondContact O-CE1 3.49Å; S22-Y64 PolarHBondContact O-OH 2.95Å |
| 23 | D | 98.2 | Very high | 98.6 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | trans | -90.2 | 105.2 | 175.9 | -178.1 | -13.8 | 0 | 0 | 0 | 109.8 | S21 A25 N26 N27 | S21-D23 PolarHBondContact O-N 3.4Å; S21-D23 PolarHBondContact OG-N 3.29Å; S21-D23 PolarHBondContact OG-O 3.26Å; D23-A25 VanDerWaalsContact C-N 3.34Å; D23-A25 PolarHBondContact O-N 2.92Å; D23-A25 WeakPolarHBondContact OD1-CB 3.49Å; D23-A25 PolarHBondContact OD1-N 2.89Å; D23-N26 HydrophobicContact CB-CB 3.81Å; D23-N26 PolarHBondContact O-N 3.39Å; D23-N26 PolarHBondContact OD1-N 2.95Å; D23-N26 VanDerWaalsContact OD1-N 3.13Å; D23-N27 PolarHBondContact O-N 2.89Å; D23-N27 VanDerWaalsContact O-N 3.07Å; D23-N27 PolarHBondContact O-ND2 2.91Å; D23-N27 PolarHBondContact O-OD1 3.21Å | ||
| 24 | K | 98.6 | Very high | 98.6 | Very high | 33 Ų | 33 | 37 Ų | 37 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 178.8 | -177.8 | -176.7 | -66.7 | -169.4 | 0 | 111.3 | N26 N27 L28 N53 Y64 E66 | K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.47Å; K24-N27 WeakPolarHBondContact O-CB 3.39Å; K24-N27 PolarHBondContact O-N 2.99Å; K24-N27 VanDerWaalsContact O-N 3.11Å; K24-L28 HydrophobicContact CG-CD1 4.24Å; K24-L28 HydrophobicContact CG-CG 4.24Å; K24-L28 WeakPolarHBondContact O-CG 3.39Å; K24-L28 PolarHBondContact O-N 2.98Å; K24-N53 HydrophobicContact CG-CB 4.48Å; K24-Y64 PolarHBondContact NZ-O 2.84Å; K24-E66 WeakPolarHBondContact CD-OE1 3.5Å; K24-E66 WeakPolarHBondContact CE-OE1 3.49Å; K24-E66 IonicContact NZ-OE1 3.83Å; K24-E66 PolarHBondContact NZ-OE1 2.77Å |
| 25 | A | 98.5 | Very high | 98.5 | Very high | 57 Ų | 57 | 37 Ų | 37 | 47% | 0.471 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -39.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D23 L28 S29 | D23-A25 VanDerWaalsContact C-N 3.34Å; D23-A25 PolarHBondContact O-N 2.92Å; D23-A25 WeakPolarHBondContact OD1-CB 3.49Å; D23-A25 PolarHBondContact OD1-N 2.89Å; A25-L28 PolarHBondContact O-N 2.93Å; A25-S29 WeakPolarHBondContact O-CB 3.36Å; A25-S29 PolarHBondContact O-N 2.9Å |
| 26 | N | 98.5 | Very high | 98.5 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 172.6 | -178.4 | 46.7 | 0 | 0 | 0 | 111.9 | S21 D23 K24 L28 S29 K30 | S21-N26 PolarHBondContact OG-ND2 2.92Å; D23-N26 HydrophobicContact CB-CB 3.81Å; D23-N26 PolarHBondContact O-N 3.39Å; D23-N26 PolarHBondContact OD1-N 2.95Å; D23-N26 VanDerWaalsContact OD1-N 3.13Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.47Å; N26-L28 PolarHBondContact O-N 3.29Å; N26-S29 PolarHBondContact O-N 3.06Å; N26-K30 WeakPolarHBondContact O-CG 3.27Å; N26-K30 PolarHBondContact O-N 2.89Å |
| 27 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.8 | -60.6 | -24.1 | 0 | 0 | 0 | 111.5 | S21 D23 K24 S29 K30 V31 F52 N53 | S21-N27 PolarHBondContact N-OD1 3.05Å; S21-N27 PolarHBondContact O-ND2 2.89Å; S21-N27 PolarHBondContact OG-OD1 3.15Å; D23-N27 PolarHBondContact O-N 2.89Å; D23-N27 VanDerWaalsContact O-N 3.07Å; D23-N27 PolarHBondContact O-ND2 2.91Å; D23-N27 PolarHBondContact O-OD1 3.21Å; K24-N27 WeakPolarHBondContact O-CB 3.39Å; K24-N27 PolarHBondContact O-N 2.99Å; K24-N27 VanDerWaalsContact O-N 3.11Å; N27-S29 PolarHBondContact O-N 3.24Å; N27-K30 PolarHBondContact O-N 3.37Å; N27-V31 WeakPolarHBondContact O-CG2 3.38Å; N27-V31 PolarHBondContact O-N 3.49Å; N27-F52 WeakPolarHBondContact CB-O 3.4Å; N27-N53 PolarHBondContact ND2-O 2.81Å; N27-N53 VanDerWaalsContact ND2-O 3.14Å |
| 28 | L | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 179.3 | -61.4 | -172.7 | 0 | 0 | 0 | 112 | K24 A25 N26 V31 R32 F52 N53 E71 T72 M75 | K24-L28 HydrophobicContact CG-CD1 4.24Å; K24-L28 HydrophobicContact CG-CG 4.24Å; K24-L28 WeakPolarHBondContact O-CG 3.39Å; K24-L28 PolarHBondContact O-N 2.98Å; A25-L28 PolarHBondContact O-N 2.93Å; N26-L28 PolarHBondContact O-N 3.29Å; L28-V31 PolarHBondContact O-N 2.94Å; L28-R32 PolarHBondContact O-N 2.83Å; L28-F52 HydrophobicContact CD2-CE2 3.82Å; L28-F52 HydrophobicContact CD2-CZ 4.4Å; L28-N53 HydrophobicContact CD2-CB 4.14Å; L28-E71 HydrophobicContact CD1-CG 4.04Å; L28-T72 HydrophobicContact CD2-CG2 3.68Å; L28-M75 HydrophobicContact CB-CE 4.02Å; L28-M75 HydrophobicContact CD2-CE 3.67Å; L28-M75 HydrophobicContact CG-CE 4.34Å |
| 29 | S | 98.7 | Very high | 98.5 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 57% | 0.573 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 112 | A25 N26 N27 R32 R33 | A25-S29 WeakPolarHBondContact O-CB 3.36Å; A25-S29 PolarHBondContact O-N 2.9Å; N26-S29 PolarHBondContact O-N 3.06Å; N27-S29 PolarHBondContact O-N 3.24Å; S29-R32 PolarHBondContact O-N 3.32Å; S29-R33 PolarHBondContact O-N 2.78Å; S29-R33 VanDerWaalsContact O-N 3.12Å |
| 30 | K | 98.7 | Very high | 98.5 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.4 | -74.1 | -178 | 172.4 | -163.5 | 0 | 112.1 | L18 Q19 N26 N27 R32 R33 L34 E246 | L18-K30 HydrophobicContact CD1-CB 3.74Å; L18-K30 HydrophobicContact CD1-CD 4.01Å; Q19-K30 PolarHBondContact O-NZ 2.96Å; Q19-K30 VanDerWaalsContact O-NZ 3.12Å; N26-K30 WeakPolarHBondContact O-CG 3.27Å; N26-K30 PolarHBondContact O-N 2.89Å; N27-K30 PolarHBondContact O-N 3.37Å; K30-R32 VanDerWaalsContact C-N 3.34Å; K30-R32 PolarHBondContact O-N 3.17Å; K30-R33 WeakPolarHBondContact O-CB 3.38Å; K30-R33 PolarHBondContact O-N 3.4Å; K30-L34 WeakPolarHBondContact O-CB 3.4Å; K30-L34 VanDerWaalsContact O-CG 3.3Å; K30-L34 WeakPolarHBondContact O-CG 3.48Å; K30-L34 PolarHBondContact O-N 3.46Å; K30-E246 IonicContact NZ-OE2 2.9Å; K30-E246 PolarHBondContact NZ-OE2 2.95Å |
| 31 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 176.9 | 165.2 | 0 | 0 | 0 | 0 | 111.1 | L18 N27 L28 R33 L34 V35 L48 F52 M75 L76 | L18-V31 HydrophobicContact CD1-CG2 4.39Å; L18-V31 HydrophobicContact CD2-CG2 3.67Å; N27-V31 WeakPolarHBondContact O-CG2 3.38Å; N27-V31 PolarHBondContact O-N 3.49Å; L28-V31 PolarHBondContact O-N 2.94Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 3.44Å; V31-L34 PolarHBondContact O-N 3.1Å; V31-V35 HydrophobicContact CG1-CG2 3.95Å; V31-V35 WeakPolarHBondContact O-CB 3.5Å; V31-V35 VanDerWaalsContact O-CG2 3.26Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.21Å; V31-L48 HydrophobicContact CG1-CD1 3.51Å; V31-L48 HydrophobicContact CG1-CD2 4.08Å; V31-L48 HydrophobicContact CG1-CG 4.47Å; V31-L48 HydrophobicContact CG2-CD1 4.3Å; V31-L48 HydrophobicContact CG2-CD2 4.26Å; V31-F52 HydrophobicContact CB-CE2 4.37Å; V31-F52 HydrophobicContact CG1-CE2 4.38Å; V31-F52 HydrophobicContact CG2-CD2 3.52Å; V31-F52 HydrophobicContact CG2-CE2 3.74Å; V31-F52 HydrophobicContact CG2-CG 4.5Å; V31-M75 HydrophobicContact CB-CE 4.17Å; V31-M75 HydrophobicContact CG1-CE 3.8Å; V31-M75 HydrophobicContact CG1-SD 4.49Å; V31-L76 HydrophobicContact CG1-CD2 4.12Å |
| 32 | R | 98.8 | Very high | 98.5 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 177.2 | -172.9 | -179.6 | -71.3 | -94.3 | 8.6 | 111.7 | L28 S29 K30 K36 M75 E78 V79 E82 | L28-R32 PolarHBondContact O-N 2.83Å; S29-R32 PolarHBondContact O-N 3.32Å; K30-R32 VanDerWaalsContact C-N 3.34Å; K30-R32 PolarHBondContact O-N 3.17Å; R32-K36 WeakPolarHBondContact O-CB 3.32Å; R32-K36 PolarHBondContact O-N 3.4Å; R32-M75 HydrophobicContact CB-SD 4.35Å; R32-E78 IonicContact CZ-OE2 3.86Å; R32-E78 IonicContact NH1-OE2 2.84Å; R32-E78 IonicContact NH2-OE2 3.54Å; R32-E78 PolarHBondContact NH2-OE2 3.11Å; R32-V79 HydrophobicContact CG-CG2 4.06Å; R32-E82 IonicContact NH1-OE1 2.77Å; R32-E82 PolarHBondContact NH1-OE1 2.87Å; R32-E82 IonicContact NH1-OE2 3.91Å; R32-E82 PolarHBondContact NH1-OE2 3Å |
| 33 | R | 98.8 | Very high | 98.6 | Very high | 129 Ų | 129 | 50 Ų | 50 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 176.4 | -178.8 | 178.3 | 64.3 | 88 | -2.6 | 112 | S29 K30 V31 K36 E37 E246 | S29-R33 PolarHBondContact O-N 2.78Å; S29-R33 VanDerWaalsContact O-N 3.12Å; K30-R33 WeakPolarHBondContact O-CB 3.38Å; K30-R33 PolarHBondContact O-N 3.4Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 3.44Å; R33-K36 PolarHBondContact O-N 3.2Å; R33-E37 IonicContact NH1-OE2 3.9Å; R33-E37 WeakPolarHBondContact O-CB 3.48Å; R33-E37 PolarHBondContact O-N 3.3Å; R33-E246 IonicContact NH2-OE1 2.85Å; R33-E246 PolarHBondContact NH2-OE1 3.29Å |
| 34 | L | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70 | -35.9 | -175.1 | -66.8 | 167.6 | 0 | 0 | 0 | 112.4 | V16 L18 K30 V31 E37 A38 I248 | V16-L34 HydrophobicContact CG1-CB 4.14Å; V16-L34 HydrophobicContact CG1-CD1 3.74Å; L18-L34 HydrophobicContact CD1-CD1 3.61Å; K30-L34 WeakPolarHBondContact O-CB 3.4Å; K30-L34 VanDerWaalsContact O-CG 3.3Å; K30-L34 WeakPolarHBondContact O-CG 3.48Å; K30-L34 PolarHBondContact O-N 3.46Å; V31-L34 PolarHBondContact O-N 3.1Å; L34-E37 PolarHBondContact O-N 2.99Å; L34-A38 WeakPolarHBondContact O-CB 3.3Å; L34-A38 PolarHBondContact O-N 2.97Å; L34-I248 HydrophobicContact CB-CD1 4.09Å; L34-I248 HydrophobicContact CD2-CD1 3.82Å; L34-I248 HydrophobicContact CD2-CG1 4.01Å; L34-I248 WeakPolarHBondContact O-CD1 3.46Å |
| 35 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 173.7 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | V31 A38 A39 V46 L48 V79 L85 L87 | V31-V35 HydrophobicContact CG1-CG2 3.95Å; V31-V35 WeakPolarHBondContact O-CB 3.5Å; V31-V35 VanDerWaalsContact O-CG2 3.26Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.21Å; V35-A38 PolarHBondContact O-N 2.87Å; V35-A39 WeakPolarHBondContact O-CB 3.42Å; V35-A39 PolarHBondContact O-N 2.81Å; V35-V46 HydrophobicContact CG2-CG1 4.2Å; V35-L48 HydrophobicContact CG2-CD2 4.24Å; V35-V79 HydrophobicContact CB-CG2 3.95Å; V35-V79 HydrophobicContact CG1-CG1 4.18Å; V35-V79 HydrophobicContact CG1-CG2 3.74Å; V35-L85 HydrophobicContact CG1-CD1 4.29Å; V35-L85 HydrophobicContact CG1-CD2 3.98Å; V35-L87 HydrophobicContact CG1-CD1 4.45Å; V35-L87 HydrophobicContact CG2-CD1 3.91Å; V35-L87 HydrophobicContact CG2-CD2 4.48Å |
| 36 | K | 98.8 | Very high | 98.6 | Very high | 141 Ų | 141 | 46.3 Ų | 46.3 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.5 | -41.1 | 175.1 | -175.6 | 176 | -178.8 | 176.1 | 0 | 112.2 | R32 R33 A39 G40 | R32-K36 WeakPolarHBondContact O-CB 3.32Å; R32-K36 PolarHBondContact O-N 3.4Å; R33-K36 PolarHBondContact O-N 3.2Å; K36-A39 PolarHBondContact O-N 2.85Å; K36-G40 PolarHBondContact O-N 3.45Å |
| 37 | E | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 41% | 0.407 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.4 | -47 | 174 | -176.9 | 179.5 | 153.9 | 0 | 0 | 111.4 | R33 L34 A39 G40 Q41 I248 | R33-E37 IonicContact NH1-OE2 3.9Å; R33-E37 WeakPolarHBondContact O-CB 3.48Å; R33-E37 PolarHBondContact O-N 3.3Å; L34-E37 PolarHBondContact O-N 2.99Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.93Å; E37-G40 PolarHBondContact O-N 2.86Å; E37-G40 VanDerWaalsContact O-N 3.15Å; E37-Q41 PolarHBondContact O-N 2.89Å; E37-I248 HydrophobicContact CB-CD1 4.18Å; E37-I248 HydrophobicContact CG-CD1 4.12Å |
| 38 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A14 L34 V35 Q41 G42 G43 V46 I248 Y250 | A14-A38 HydrophobicContact CB-CB 3.56Å; L34-A38 WeakPolarHBondContact O-CB 3.3Å; L34-A38 PolarHBondContact O-N 2.97Å; V35-A38 PolarHBondContact O-N 2.87Å; A38-Q41 PolarHBondContact O-N 3.34Å; A38-G42 PolarHBondContact O-N 3.34Å; A38-G43 WeakPolarHBondContact O-CA 3.11Å; A38-G43 PolarHBondContact O-N 2.85Å; A38-V46 HydrophobicContact CB-CG1 4.44Å; A38-V46 HydrophobicContact CB-CG2 3.88Å; A38-I248 HydrophobicContact CB-CD1 4.48Å; A38-Y250 HydrophobicContact CB-CE1 4.28Å |
| 39 | A | 98.4 | Very high | 98.7 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V35 K36 E37 Q41 G42 N83 L85 | V35-A39 WeakPolarHBondContact O-CB 3.42Å; V35-A39 PolarHBondContact O-N 2.81Å; K36-A39 PolarHBondContact O-N 2.85Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.93Å; A39-Q41 PolarHBondContact O-N 2.93Å; A39-G42 WeakPolarHBondContact O-CA 3.49Å; A39-G42 PolarHBondContact O-N 2.87Å; A39-N83 HydrophobicContact CB-CB 3.66Å; A39-L85 HydrophobicContact CB-CD2 3.75Å |
| 40 | G | 98.4 | Very high | 98.7 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 69% | 0.691 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.7 | -29.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K36 E37 G42 | K36-G40 PolarHBondContact O-N 3.45Å; E37-G40 PolarHBondContact O-N 2.86Å; E37-G40 VanDerWaalsContact O-N 3.15Å; G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 3.22Å |
| 41 | Q | 98.4 | Very high | 98.7 | Very high | 107 Ų | 107 | 37.1 Ų | 37.1 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 10.6 | 173.6 | -64.1 | -59.6 | -29.5 | 0 | 0 | 113.9 | R12 E37 A38 A39 Y250 | R12-Q41 WeakPolarHBondContact CD-O 3.45Å; R12-Q41 PolarHBondContact NH1-O 3.44Å; E37-Q41 PolarHBondContact O-N 2.89Å; A38-Q41 PolarHBondContact O-N 3.34Å; A39-Q41 PolarHBondContact O-N 2.93Å; Q41-Y250 HydrophobicContact CB-CD1 4.36Å; Q41-Y250 HydrophobicContact CB-CE1 3.67Å; Q41-Y250 HydrophobicContact CG-CE1 4.28Å; Q41-Y250 HydrophobicContact CG-CE2 4.44Å |
| 42 | G | 97.9 | Very high | 98.6 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 32% | 0.32 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 8.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | A38 A39 G40 K44 | A38-G42 PolarHBondContact O-N 3.34Å; A39-G42 WeakPolarHBondContact O-CA 3.49Å; A39-G42 PolarHBondContact O-N 2.87Å; G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 3.22Å; G42-K44 PolarHBondContact O-N 3.39Å |
| 43 | G | 98.1 | Very high | 98.6 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | trans | -56 | 122.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A38 | A38-G43 WeakPolarHBondContact O-CA 3.11Å; A38-G43 PolarHBondContact O-N 2.85Å | ||
| 44 | K | 98.4 | Very high | 98.6 | Very high | 101 Ų | 101 | 27.3 Ų | 27.3 | 44% | 0.439 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -100.7 | -27.5 | 177.9 | -59.2 | -54.3 | -177.6 | -174.5 | 0 | 112.7 | F11 R12 G42 H86 F152 | F11-K44 HydrophobicContact CB-CB 4.36Å; F11-K44 HydrophobicContact CB-CG 4.44Å; R12-K44 PolarHBondContact O-N 3.31Å; G42-K44 PolarHBondContact O-N 3.39Å; K44-H86 PolarHBondContact O-N 3.02Å; K44-F152 HydrophobicContact CB-CE2 3.67Å; K44-F152 HydrophobicContact CB-CZ 3.71Å; K44-F152 HydrophobicContact CG-CE2 4.37Å; K44-F152 HydrophobicContact CG-CZ 3.9Å |
| 45 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132 | 170.4 | -176 | 0 | 0 | 0 | 0 | 106.9 | F11 R12 L13 A14 H86 V88 T150 | F11-V45 HydrophobicContact CD2-CB 4.5Å; F11-V45 HydrophobicContact CD2-CG2 3.92Å; F11-V45 HydrophobicContact CE2-CB 4.15Å; F11-V45 HydrophobicContact CE2-CG2 3.66Å; R12-V45 PolarHBondContact O-N 2.84Å; L13-V45 WeakPolarHBondContact CA-O 3.49Å; L13-V45 HydrophobicContact CD1-CB 3.84Å; L13-V45 HydrophobicContact CD1-CG1 3.73Å; A14-V45 PolarHBondContact N-O 3Å; V45-H86 CarbonylContact C-O 3.55Å; V45-H86 WeakPolarHBondContact CA-O 3.3Å; V45-H86 HydrophobicContact CG2-CB 4.32Å; V45-V88 HydrophobicContact CG1-CG2 4.38Å; V45-T150 HydrophobicContact CG2-CG2 4.46Å |
| 46 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.7 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 109 | A14 V16 V35 A38 L85 H86 L87 V88 | A14-V46 HydrophobicContact CB-CG2 4.26Å; A14-V46 CarbonylContact O-C 3.55Å; A14-V46 WeakPolarHBondContact O-CA 3.39Å; V16-V46 HydrophobicContact CG2-CG1 3.88Å; V35-V46 HydrophobicContact CG2-CG1 4.2Å; A38-V46 HydrophobicContact CB-CG1 4.44Å; A38-V46 HydrophobicContact CB-CG2 3.88Å; V46-L85 HydrophobicContact CB-CD1 4.3Å; V46-L85 HydrophobicContact CG2-CD1 4.02Å; V46-L85 HydrophobicContact CG2-CD2 3.74Å; V46-L85 HydrophobicContact CG2-CG 4.46Å; V46-H86 PolarHBondContact N-O 3.2Å; V46-L87 HydrophobicContact CB-CD1 3.82Å; V46-L87 HydrophobicContact CG1-CD1 3.93Å; V46-V88 PolarHBondContact O-N 3.12Å |
| 47 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.7 | 178.9 | 179.8 | 64.2 | 0 | 0 | 0 | 110.1 | A14 V15 V16 V88 V181 P183 A211 A213 | A14-L47 PolarHBondContact O-N 3.18Å; V15-L47 HydrophobicContact CG1-CD2 4.2Å; V15-L47 HydrophobicContact CG2-CB 4.49Å; V16-L47 PolarHBondContact N-O 2.82Å; L47-V88 HydrophobicContact CD1-CB 3.59Å; L47-V88 HydrophobicContact CD1-CG1 3.34Å; L47-V88 HydrophobicContact CD1-CG2 4.39Å; L47-V181 HydrophobicContact CD1-CB 3.92Å; L47-V181 HydrophobicContact CD1-CG1 4.46Å; L47-V181 HydrophobicContact CD1-CG2 4.25Å; L47-V181 HydrophobicContact CD2-CB 3.98Å; L47-V181 HydrophobicContact CD2-CG1 4.21Å; L47-P183 HydrophobicContact CD1-CG 3.91Å; L47-A211 HydrophobicContact CD2-CB 4.01Å; L47-A213 HydrophobicContact CD2-CB 3.84Å; L47-A213 HydrophobicContact CG-CB 3.62Å |
| 48 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -92.1 | 162.1 | 172.4 | -62.7 | 179.5 | 0 | 0 | 0 | 111.3 | V16 V31 V35 F52 L76 L87 V88 G90 A213 | V16-L48 HydrophobicContact CB-CD2 3.84Å; V16-L48 HydrophobicContact CG1-CD2 4.11Å; V16-L48 HydrophobicContact CG2-CD2 3.94Å; V31-L48 HydrophobicContact CG1-CD1 3.51Å; V31-L48 HydrophobicContact CG1-CD2 4.08Å; V31-L48 HydrophobicContact CG1-CG 4.47Å; V31-L48 HydrophobicContact CG2-CD1 4.3Å; V31-L48 HydrophobicContact CG2-CD2 4.26Å; V35-L48 HydrophobicContact CG2-CD2 4.24Å; L48-F52 HydrophobicContact CB-CD1 4.49Å; L48-F52 HydrophobicContact CD1-CD1 4.5Å; L48-F52 HydrophobicContact CD1-CE1 4.32Å; L48-F52 HydrophobicContact CD1-CE2 4.39Å; L48-F52 HydrophobicContact CD1-CZ 4.24Å; L48-L76 HydrophobicContact CD1-CD2 3.56Å; L48-L87 HydrophobicContact CD1-CD1 4.16Å; L48-L87 HydrophobicContact CG-CD1 4.11Å; L48-V88 PolarHBondContact N-O 3.42Å; L48-G90 WeakPolarHBondContact O-CA 3.48Å; L48-A213 WeakPolarHBondContact O-CB 3.33Å |
| 49 | P | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -84.7 | 169.1 | -176.9 | 32.7 | -33.3 | 0 | 0 | 0 | 114.4 | V16 L18 F52 G90 S91 A213 P215 | V16-P49 WeakPolarHBondContact O-CD 3.23Å; L18-P49 HydrophobicContact CB-CG 3.85Å; P49-F52 HydrophobicContact CG-CB 3.91Å; P49-G90 CarbonylContact O-C 3.55Å; P49-G90 WeakPolarHBondContact O-CA 3.35Å; P49-S91 PolarHBondContact O-N 3.23Å; P49-S91 VanDerWaalsContact O-N 3.13Å; P49-A213 WeakPolarHBondContact CA-O 3.22Å; P49-A213 HydrophobicContact CB-CB 4.19Å; P49-P215 HydrophobicContact CB-CG 4.09Å |
| 50 | E | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 140 | 173.9 | 179.8 | 178.8 | -145.9 | 0 | 0 | 111 | F52 S91 N102 K119 I159 C160 P183 G184 A185 | E50-F52 PolarHBondContact O-N 3.46Å; E50-S91 WeakPolarHBondContact CA-OG 3.46Å; E50-S91 WeakPolarHBondContact CG-OG 3.46Å; E50-N102 PolarHBondContact OE1-ND2 3.28Å; E50-K119 IonicContact OE1-NZ 3.94Å; E50-K119 PolarHBondContact OE1-NZ 3.03Å; E50-I159 HydrophobicContact CB-CG2 4.45Å; E50-I159 HydrophobicContact CG-CG2 3.91Å; E50-I159 VanDerWaalsContact OE1-CG2 3.25Å; E50-I159 WeakPolarHBondContact OE1-CG2 3.32Å; E50-C160 WeakPolarHBondContact OE1-CB 3.39Å; E50-C160 WeakPolarHBondContact OE2-CB 3.37Å; E50-C160 PolarHBondContact OE2-SG 3.49Å; E50-P183 HydrophobicContact CB-CB 4.29Å; E50-G184 WeakPolarHBondContact OE2-CA 3.44Å; E50-A185 PolarHBondContact OE2-N 2.87Å |
| 51 | C | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.9 | 177 | -153.5 | 0 | 0 | 0 | 0 | 113.5 | N53 S54 Y56 S91 | C51-N53 PolarHBondContact O-N 3.25Å; C51-N53 VanDerWaalsContact O-N 3.09Å; C51-S54 PolarHBondContact O-N 2.91Å; C51-S54 PolarHBondContact SG-O 3.01Å; C51-S54 PolarHBondContact SG-OG 3.19Å; C51-S54 VanDerWaalsContact SG-OG 3.38Å; C51-Y56 HydrophobicContact CB-CD2 3.8Å; C51-S91 CarbonylContact C-O 3.52Å; C51-S91 WeakPolarHBondContact CA-O 3.44Å; C51-S91 PolarHBondContact N-O 3.24Å; C51-S91 PolarHBondContact N-OG 3.05Å |
| 52 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.9 | -169.1 | 79 | -90.9 | 0 | 0 | 0 | 113.9 | L18 N27 L28 V31 L48 P49 E50 T72 L76 G89 S91 I92 | L18-F52 HydrophobicContact CD2-CB 3.94Å; L18-F52 HydrophobicContact CD2-CD2 4.22Å; N27-F52 WeakPolarHBondContact CB-O 3.4Å; L28-F52 HydrophobicContact CD2-CE2 3.82Å; L28-F52 HydrophobicContact CD2-CZ 4.4Å; V31-F52 HydrophobicContact CB-CE2 4.37Å; V31-F52 HydrophobicContact CG1-CE2 4.38Å; V31-F52 HydrophobicContact CG2-CD2 3.52Å; V31-F52 HydrophobicContact CG2-CE2 3.74Å; V31-F52 HydrophobicContact CG2-CG 4.5Å; L48-F52 HydrophobicContact CB-CD1 4.49Å; L48-F52 HydrophobicContact CD1-CD1 4.5Å; L48-F52 HydrophobicContact CD1-CE1 4.32Å; L48-F52 HydrophobicContact CD1-CE2 4.39Å; L48-F52 HydrophobicContact CD1-CZ 4.24Å; P49-F52 HydrophobicContact CG-CB 3.91Å; E50-F52 PolarHBondContact O-N 3.46Å; F52-T72 HydrophobicContact CE1-CG2 4.11Å; F52-T72 HydrophobicContact CE2-CG2 4.08Å; F52-T72 HydrophobicContact CZ-CG2 3.37Å; F52-L76 HydrophobicContact CE1-CD1 4.12Å; F52-L76 HydrophobicContact CZ-CD1 3.88Å; F52-L76 HydrophobicContact CZ-CD2 3.92Å; F52-L76 HydrophobicContact CZ-CG 4.17Å; F52-G89 WeakPolarHBondContact CE1-O 3.43Å; F52-S91 WeakPolarHBondContact CD1-O 3.45Å; F52-S91 PolarHBondContact N-O 2.85Å; F52-I92 HydrophobicContact CD1-CG2 4.19Å; F52-I92 HydrophobicContact CE1-CG2 3.62Å; F52-I92 HydrophobicContact CZ-CG2 4.2Å |
| 53 | N | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.2 | -176.2 | 76.3 | -25.1 | 0 | 0 | 0 | 113.5 | K24 N27 L28 C51 T72 I92 P93 | K24-N53 HydrophobicContact CG-CB 4.48Å; N27-N53 PolarHBondContact ND2-O 2.81Å; N27-N53 VanDerWaalsContact ND2-O 3.14Å; L28-N53 HydrophobicContact CD2-CB 4.14Å; C51-N53 PolarHBondContact O-N 3.25Å; C51-N53 VanDerWaalsContact O-N 3.09Å; N53-T72 HydrophobicContact CB-CG2 4.13Å; N53-T72 PolarHBondContact ND2-OG1 3.01Å; N53-T72 VanDerWaalsContact ND2-OG1 3.11Å; N53-I92 HydrophobicContact CB-CG2 4.06Å; N53-I92 VanDerWaalsContact CG-CG2 3.43Å; N53-I92 WeakPolarHBondContact ND2-CG2 3.28Å; N53-P93 WeakPolarHBondContact OD1-CD 3.3Å |
| 54 | S | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -159.6 | 159.4 | -174.1 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | V20 C51 Y64 | V20-S54 WeakPolarHBondContact CG1-O 3.2Å; C51-S54 PolarHBondContact O-N 2.91Å; C51-S54 PolarHBondContact SG-O 3.01Å; C51-S54 PolarHBondContact SG-OG 3.19Å; C51-S54 VanDerWaalsContact SG-OG 3.38Å; S54-Y64 VanDerWaalsContact CB-CB 3.46Å |
| 55 | P | 97.7 | Very high | 97.4 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | trans | -56.9 | 140.2 | 173 | -23.7 | 34.7 | 0 | 0 | 0 | 112.3 | F60 | P55-F60 HydrophobicContact CB-CD1 4.36Å; P55-F60 HydrophobicContact CB-CD2 3.76Å; P55-F60 HydrophobicContact CB-CE1 4.48Å; P55-F60 HydrophobicContact CB-CE2 3.91Å; P55-F60 HydrophobicContact CB-CG 4Å; P55-F60 HydrophobicContact CB-CZ 4.27Å; P55-F60 WeakPolarHBondContact O-CB 3.29Å | ||
| 56 | Y | 96.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 8% | 0.078 | 15% | 0.145 | C | C | . | . | trans | -85.2 | 119.2 | -179.8 | -172.3 | -109 | 0 | 0 | 0 | 111.5 | C51 F61 F133 E135 Y223 | C51-Y56 HydrophobicContact CB-CD2 3.8Å; Y56-F61 AromaticContact CD2-CE1 3.68Å; Y56-F61 HydrophobicContact CD2-CE1 3.68Å; Y56-F61 AromaticContact CD2-CZ 3.77Å; Y56-F61 HydrophobicContact CD2-CZ 3.77Å; Y56-F61 AromaticContact CE2-CE1 3.82Å; Y56-F61 HydrophobicContact CE2-CE1 3.82Å; Y56-F61 AromaticContact CE2-CZ 3.53Å; Y56-F61 HydrophobicContact CE2-CZ 3.53Å; Y56-F61 HydrophobicContact CG-CZ 4.5Å; Y56-F133 HydrophobicContact CD1-CE2 4.11Å; Y56-F133 AromaticContact CD1-CZ 3.86Å; Y56-F133 HydrophobicContact CD1-CZ 3.86Å; Y56-F133 AromaticContact CE1-CE1 3.71Å; Y56-F133 HydrophobicContact CE1-CE1 3.71Å; Y56-F133 AromaticContact CE1-CE2 3.84Å; Y56-F133 HydrophobicContact CE1-CE2 3.84Å; Y56-F133 AromaticContact CE1-CZ 3.32Å; Y56-F133 HydrophobicContact CE1-CZ 3.32Å; Y56-F133 AromaticContact CZ-CE1 3.83Å; Y56-F133 AromaticContact CZ-CZ 3.75Å; Y56-E135 VanDerWaalsContact OH-CD 3.25Å; Y56-E135 PolarHBondContact OH-OE1 2.71Å; Y56-Y223 AromaticContact CD1-CD1 3.75Å; Y56-Y223 HydrophobicContact CD1-CD1 3.75Å; Y56-Y223 HydrophobicContact CD1-CD2 4.05Å; Y56-Y223 HydrophobicContact CD1-CE1 4.1Å; Y56-Y223 HydrophobicContact CD1-CE2 4.39Å; Y56-Y223 AromaticContact CD1-CG 3.71Å; Y56-Y223 HydrophobicContact CD1-CG 3.71Å; Y56-Y223 HydrophobicContact CE1-CD1 4.48Å; Y56-Y223 HydrophobicContact CE1-CD2 4.34Å; Y56-Y223 HydrophobicContact CE1-CE1 4.44Å; Y56-Y223 HydrophobicContact CE1-CE2 4.32Å; Y56-Y223 HydrophobicContact CE1-CG 4.42Å | ||
| 57 | G | 93.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 32 Ų | 32 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 166.5 | 150.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S59 F60 F61 | G57-S59 PolarHBondContact O-N 2.89Å; G57-F60 PolarHBondContact O-N 3.05Å; G57-F61 WeakPolarHBondContact O-CD2 3.49Å; G57-F61 WeakPolarHBondContact O-CG 3.44Å; G57-F61 PolarHBondContact O-N 2.94Å |
| 58 | T | 92.8 | Very high | 97.4 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 25% | 0.245 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.5 | -35.1 | -178.1 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | F60 F61 Q134 T138 | T58-F60 PolarHBondContact O-N 3.32Å; T58-F61 HydrophobicContact CG2-CE2 4.19Å; T58-Q134 WeakPolarHBondContact CG2-O 3.09Å; T58-T138 WeakPolarHBondContact CB-OG1 3.29Å |
| 59 | S | 94.7 | Very high | 97.4 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 59% | 0.594 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -70 | -15.8 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | G57 | G57-S59 PolarHBondContact O-N 2.89Å |
| 60 | F | 96.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -100.5 | -32.8 | -177.9 | -57.9 | -61.8 | 0 | 0 | 0 | 112.9 | P55 G57 T58 S62 K63 Y64 | P55-F60 HydrophobicContact CB-CD1 4.36Å; P55-F60 HydrophobicContact CB-CD2 3.76Å; P55-F60 HydrophobicContact CB-CE1 4.48Å; P55-F60 HydrophobicContact CB-CE2 3.91Å; P55-F60 HydrophobicContact CB-CG 4Å; P55-F60 HydrophobicContact CB-CZ 4.27Å; P55-F60 WeakPolarHBondContact O-CB 3.29Å; G57-F60 PolarHBondContact O-N 3.05Å; T58-F60 PolarHBondContact O-N 3.32Å; F60-S62 PolarHBondContact O-N 2.75Å; F60-K63 PolarHBondContact O-N 2.86Å; F60-Y64 HydrophobicContact CB-CD2 4.08Å; F60-Y64 HydrophobicContact CB-CE2 4.39Å; F60-Y64 HydrophobicContact CD1-CE2 4.19Å; F60-Y64 WeakPolarHBondContact O-CD2 3.29Å; F60-Y64 PolarHBondContact O-N 3.05Å |
| 61 | F | 96.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54 | -49.2 | -169.7 | -60.6 | -41.9 | 0 | 0 | 0 | 113.5 | Y56 G57 T58 K63 Y64 A65 P93 F133 E135 T138 L139 | Y56-F61 AromaticContact CD2-CE1 3.68Å; Y56-F61 HydrophobicContact CD2-CE1 3.68Å; Y56-F61 AromaticContact CD2-CZ 3.77Å; Y56-F61 HydrophobicContact CD2-CZ 3.77Å; Y56-F61 AromaticContact CE2-CE1 3.82Å; Y56-F61 HydrophobicContact CE2-CE1 3.82Å; Y56-F61 AromaticContact CE2-CZ 3.53Å; Y56-F61 HydrophobicContact CE2-CZ 3.53Å; Y56-F61 HydrophobicContact CG-CZ 4.5Å; G57-F61 WeakPolarHBondContact O-CD2 3.49Å; G57-F61 WeakPolarHBondContact O-CG 3.44Å; G57-F61 PolarHBondContact O-N 2.94Å; T58-F61 HydrophobicContact CG2-CE2 4.19Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.27Å; F61-Y64 PolarHBondContact O-N 3.11Å; F61-A65 WeakPolarHBondContact O-CA 3.45Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.19Å; F61-P93 HydrophobicContact CB-CB 4.26Å; F61-P93 HydrophobicContact CD1-CB 4.32Å; F61-F133 HydrophobicContact CZ-CZ 4.31Å; F61-E135 HydrophobicContact CE2-CG 4.21Å; F61-T138 HydrophobicContact CB-CG2 3.99Å; F61-T138 HydrophobicContact CD2-CG2 4.13Å; F61-L139 HydrophobicContact CB-CD2 3.82Å; F61-L139 HydrophobicContact CD2-CD1 3.94Å; F61-L139 HydrophobicContact CD2-CD2 3.68Å; F61-L139 HydrophobicContact CD2-CG 3.67Å; F61-L139 HydrophobicContact CE1-CD1 4.49Å; F61-L139 HydrophobicContact CE2-CD1 3.85Å; F61-L139 HydrophobicContact CE2-CD2 4.41Å; F61-L139 HydrophobicContact CE2-CG 3.94Å; F61-L139 HydrophobicContact CG-CD1 4.32Å; F61-L139 HydrophobicContact CG-CD2 3.81Å; F61-L139 HydrophobicContact CG-CG 4.24Å; F61-L139 HydrophobicContact CZ-CD1 4.15Å |
| 62 | S | 96.4 | Very high | 97.3 | Very high | 79 Ų | 79 | 43.6 Ų | 43.6 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64 | -34.7 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | F60 | F60-S62 PolarHBondContact O-N 2.75Å |
| 63 | K | 97.6 | Very high | 97.4 | Very high | 159 Ų | 159 | 43.8 Ų | 43.8 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -72.4 | -35.6 | -179.8 | 179.7 | 179.9 | 175.8 | -172.6 | 0 | 112.4 | F60 F61 | F60-K63 PolarHBondContact O-N 2.86Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.27Å |
| 64 | Y | 98.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 49 Ų | 49 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -99.7 | -8.9 | -175.2 | -73.6 | -95.2 | 0 | 0 | 0 | 113.4 | S22 K24 S54 F60 F61 | S22-Y64 WeakPolarHBondContact O-CE1 3.49Å; S22-Y64 PolarHBondContact O-OH 2.95Å; K24-Y64 PolarHBondContact NZ-O 2.84Å; S54-Y64 VanDerWaalsContact CB-CB 3.46Å; F60-Y64 HydrophobicContact CB-CD2 4.08Å; F60-Y64 HydrophobicContact CB-CE2 4.39Å; F60-Y64 HydrophobicContact CD1-CE2 4.19Å; F60-Y64 WeakPolarHBondContact O-CD2 3.29Å; F60-Y64 PolarHBondContact O-N 3.05Å; F61-Y64 PolarHBondContact O-N 3.11Å |
| 65 | A | 98.5 | Very high | 97.4 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | trans | -55.9 | 143.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F61 P93 E95 L100 | F61-A65 WeakPolarHBondContact O-CA 3.45Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.19Å; A65-P93 VanDerWaalsContact CA-O 3.28Å; A65-P93 WeakPolarHBondContact CA-O 3.38Å; A65-P93 HydrophobicContact CB-CB 4.14Å; A65-E95 HydrophobicContact CB-CB 4.22Å; A65-L100 HydrophobicContact CB-CD2 3.64Å | ||
| 66 | E | 98.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -129.9 | 150.1 | 175 | -68.8 | 172.7 | -144.8 | 0 | 0 | 110.2 | K24 E71 T72 P93 E94 E95 | K24-E66 WeakPolarHBondContact CD-OE1 3.5Å; K24-E66 WeakPolarHBondContact CE-OE1 3.49Å; K24-E66 IonicContact NZ-OE1 3.83Å; K24-E66 PolarHBondContact NZ-OE1 2.77Å; E66-E71 PolarHBondContact OE2-N 3.36Å; E66-E71 VanDerWaalsContact OE2-N 3.12Å; E66-T72 PolarHBondContact OE1-OG1 3.31Å; E66-T72 WeakPolarHBondContact OE2-CB 3.39Å; E66-T72 PolarHBondContact OE2-N 2.67Å; E66-T72 PolarHBondContact OE2-OG1 2.97Å; E66-P93 PolarHBondContact N-O 2.84Å; E66-P93 VanDerWaalsContact N-O 3.07Å; E66-E94 CarbonylContact O-C 3.56Å; E66-E94 VanDerWaalsContact O-CA 3.23Å; E66-E94 WeakPolarHBondContact O-CA 3.27Å; E66-E95 PolarHBondContact O-N 2.91Å |
| 67 | K | 98.6 | Very high | 97.6 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | trans | -68.3 | 157.3 | 161 | -64.8 | -175.6 | 179 | 179.5 | 0 | 109.4 | P69 G70 E95 | K67-P69 CarbonylContact C-O 3.6Å; K67-P69 CarbonylContact O-C 3.57Å; K67-G70 VanDerWaalsContact O-CA 3.31Å; K67-G70 WeakPolarHBondContact O-CA 3.48Å; K67-G70 PolarHBondContact O-N 2.82Å; K67-E95 VanDerWaalsContact CE-OE1 3.27Å; K67-E95 WeakPolarHBondContact CE-OE1 3.41Å; K67-E95 HydrophobicContact CG-CB 4.49Å; K67-E95 IonicContact NZ-OE1 3.92Å | ||
| 68 | I | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -116 | 114.7 | 171.5 | -63.6 | 176.8 | 0 | 0 | 0 | 107.9 | T73 I92 E94 T103 L113 K116 | I68-T73 HydrophobicContact CD1-CG2 4.09Å; I68-T73 HydrophobicContact CG1-CG2 3.87Å; I68-T73 HydrophobicContact CG2-CG2 4.05Å; I68-I92 HydrophobicContact CD1-CD1 4.22Å; I68-I92 HydrophobicContact CD1-CG1 4.5Å; I68-I92 HydrophobicContact CG1-CD1 4.32Å; I68-E94 HydrophobicContact CD1-CB 4.14Å; I68-E94 HydrophobicContact CD1-CG 3.93Å; I68-E94 HydrophobicContact CG1-CG 4.1Å; I68-T103 HydrophobicContact CD1-CG2 3.85Å; I68-L113 HydrophobicContact CG2-CD2 4.09Å; I68-K116 HydrophobicContact CB-CD 4.45Å; I68-K116 HydrophobicContact CD1-CD 4.05Å; I68-K116 HydrophobicContact CG2-CD 4.29Å |
| 69 | P | 98.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | S | Bend | cis | -73.2 | 151.8 | 4.8 | 31.2 | -36.1 | 0 | 0 | 0 | 114.3 | K67 T73 | K67-P69 CarbonylContact C-O 3.6Å; K67-P69 CarbonylContact O-C 3.57Å; P69-T73 WeakPolarHBondContact CA-OG1 3.35Å |
| 70 | G | 98.3 | Very high | 98.3 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -159.9 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K67 T72 T73 Q74 | K67-G70 VanDerWaalsContact O-CA 3.31Å; K67-G70 WeakPolarHBondContact O-CA 3.48Å; K67-G70 PolarHBondContact O-N 2.82Å; G70-T72 VanDerWaalsContact C-N 3.35Å; G70-T72 PolarHBondContact O-N 3.13Å; G70-T73 PolarHBondContact N-OG1 3.33Å; G70-T73 PolarHBondContact O-N 2.8Å; G70-T73 PolarHBondContact O-OG1 3.08Å; G70-Q74 WeakPolarHBondContact O-CB 3.23Å; G70-Q74 VanDerWaalsContact O-CG 3.25Å; G70-Q74 WeakPolarHBondContact O-CG 3.47Å; G70-Q74 PolarHBondContact O-N 2.95Å |
| 71 | E | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -49.3 | -52 | -175.3 | -178.7 | -171.8 | 177.9 | 0 | 0 | 112.5 | L28 E66 M75 | L28-E71 HydrophobicContact CD1-CG 4.04Å; E66-E71 PolarHBondContact OE2-N 3.36Å; E66-E71 VanDerWaalsContact OE2-N 3.12Å; E71-M75 PolarHBondContact O-N 2.81Å; E71-M75 VanDerWaalsContact O-N 3.12Å |
| 72 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | -177.5 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | L28 F52 N53 E66 G70 M75 L76 I92 | L28-T72 HydrophobicContact CD2-CG2 3.68Å; F52-T72 HydrophobicContact CE1-CG2 4.11Å; F52-T72 HydrophobicContact CE2-CG2 4.08Å; F52-T72 HydrophobicContact CZ-CG2 3.37Å; N53-T72 HydrophobicContact CB-CG2 4.13Å; N53-T72 PolarHBondContact ND2-OG1 3.01Å; N53-T72 VanDerWaalsContact ND2-OG1 3.11Å; E66-T72 PolarHBondContact OE1-OG1 3.31Å; E66-T72 WeakPolarHBondContact OE2-CB 3.39Å; E66-T72 PolarHBondContact OE2-N 2.67Å; E66-T72 PolarHBondContact OE2-OG1 2.97Å; G70-T72 VanDerWaalsContact C-N 3.35Å; G70-T72 PolarHBondContact O-N 3.13Å; T72-M75 PolarHBondContact O-N 2.82Å; T72-L76 HydrophobicContact CG2-CD1 4.2Å; T72-L76 HydrophobicContact CG2-CG 4.46Å; T72-L76 VanDerWaalsContact O-CG 3.29Å; T72-L76 WeakPolarHBondContact O-CG 3.37Å; T72-L76 PolarHBondContact O-N 3.2Å; T72-I92 HydrophobicContact CG2-CD1 4.41Å; T72-I92 HydrophobicContact CG2-CG2 3.75Å |
| 73 | T | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.4 | -28.5 | -177 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | I68 P69 G70 S77 I92 A105 F107 | I68-T73 HydrophobicContact CD1-CG2 4.09Å; I68-T73 HydrophobicContact CG1-CG2 3.87Å; I68-T73 HydrophobicContact CG2-CG2 4.05Å; P69-T73 WeakPolarHBondContact CA-OG1 3.35Å; G70-T73 PolarHBondContact N-OG1 3.33Å; G70-T73 PolarHBondContact O-N 2.8Å; G70-T73 PolarHBondContact O-OG1 3.08Å; T73-S77 WeakPolarHBondContact O-CB 3.22Å; T73-S77 PolarHBondContact O-N 2.89Å; T73-I92 HydrophobicContact CG2-CD1 4.1Å; T73-A105 HydrophobicContact CG2-CB 3.98Å; T73-F107 HydrophobicContact CG2-CZ 3.97Å; T73-F107 WeakPolarHBondContact O-CE1 3.19Å; T73-F107 WeakPolarHBondContact O-CZ 3.36Å |
| 74 | Q | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 170.2 | -72.9 | 171.3 | 10.2 | 0 | 0 | 111 | G70 L76 S77 E78 | G70-Q74 WeakPolarHBondContact O-CB 3.23Å; G70-Q74 VanDerWaalsContact O-CG 3.25Å; G70-Q74 WeakPolarHBondContact O-CG 3.47Å; G70-Q74 PolarHBondContact O-N 2.95Å; Q74-L76 VanDerWaalsContact C-N 3.33Å; Q74-L76 PolarHBondContact O-N 3.28Å; Q74-S77 WeakPolarHBondContact O-CB 3.41Å; Q74-S77 PolarHBondContact O-N 3.05Å; Q74-E78 WeakPolarHBondContact O-CG 3.33Å; Q74-E78 PolarHBondContact O-N 2.92Å |
| 75 | M | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 174.9 | -176.7 | -74.1 | -65.8 | 0 | 0 | 111.8 | L28 V31 R32 E71 T72 E78 V79 | L28-M75 HydrophobicContact CB-CE 4.02Å; L28-M75 HydrophobicContact CD2-CE 3.67Å; L28-M75 HydrophobicContact CG-CE 4.34Å; V31-M75 HydrophobicContact CB-CE 4.17Å; V31-M75 HydrophobicContact CG1-CE 3.8Å; V31-M75 HydrophobicContact CG1-SD 4.49Å; R32-M75 HydrophobicContact CB-SD 4.35Å; E71-M75 PolarHBondContact O-N 2.81Å; E71-M75 VanDerWaalsContact O-N 3.12Å; T72-M75 PolarHBondContact O-N 2.82Å; M75-E78 PolarHBondContact O-N 2.87Å; M75-V79 WeakPolarHBondContact O-CG1 3.26Å; M75-V79 PolarHBondContact O-N 2.98Å; M75-V79 HydrophobicContact SD-CB 4.5Å; M75-V79 HydrophobicContact SD-CG1 4.12Å |
| 76 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.1 | -69 | 174.9 | 0 | 0 | 0 | 112.3 | V31 L48 F52 T72 Q74 V79 A80 L87 F107 | V31-L76 HydrophobicContact CG1-CD2 4.12Å; L48-L76 HydrophobicContact CD1-CD2 3.56Å; F52-L76 HydrophobicContact CE1-CD1 4.12Å; F52-L76 HydrophobicContact CZ-CD1 3.88Å; F52-L76 HydrophobicContact CZ-CD2 3.92Å; F52-L76 HydrophobicContact CZ-CG 4.17Å; T72-L76 HydrophobicContact CG2-CD1 4.2Å; T72-L76 HydrophobicContact CG2-CG 4.46Å; T72-L76 VanDerWaalsContact O-CG 3.29Å; T72-L76 WeakPolarHBondContact O-CG 3.37Å; T72-L76 PolarHBondContact O-N 3.2Å; Q74-L76 VanDerWaalsContact C-N 3.33Å; Q74-L76 PolarHBondContact O-N 3.28Å; L76-V79 WeakPolarHBondContact O-CG1 3.29Å; L76-A80 VanDerWaalsContact O-CB 3.28Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 3.01Å; L76-L87 HydrophobicContact CB-CD2 4.1Å; L76-L87 HydrophobicContact CD2-CD2 3.64Å; L76-L87 HydrophobicContact CD2-CG 4.39Å; L76-L87 HydrophobicContact CG-CD2 4.46Å; L76-F107 HydrophobicContact CB-CD2 3.69Å; L76-F107 HydrophobicContact CB-CE2 3.42Å; L76-F107 VanDerWaalsContact CB-CE2 3.42Å; L76-F107 HydrophobicContact CB-CZ 4.04Å; L76-F107 HydrophobicContact CD1-CD2 4.47Å; L76-F107 HydrophobicContact CD1-CE2 3.77Å; L76-F107 HydrophobicContact CG-CE2 4.27Å |
| 77 | S | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | T73 Q74 A80 K81 G111 | T73-S77 WeakPolarHBondContact O-CB 3.22Å; T73-S77 PolarHBondContact O-N 2.89Å; Q74-S77 WeakPolarHBondContact O-CB 3.41Å; Q74-S77 PolarHBondContact O-N 3.05Å; S77-A80 PolarHBondContact O-N 3.5Å; S77-K81 PolarHBondContact O-N 3.12Å; S77-K81 VanDerWaalsContact O-N 3.12Å; S77-G111 VanDerWaalsContact CB-O 3.31Å; S77-G111 WeakPolarHBondContact CB-O 3.38Å; S77-G111 VanDerWaalsContact O-CA 3.24Å; S77-G111 WeakPolarHBondContact O-CA 3.47Å; S77-G111 PolarHBondContact OG-O 3.42Å |
| 78 | E | 98.9 | Very high | 98.7 | Very high | 94 Ų | 94 | 45.6 Ų | 45.6 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.3 | -50.8 | 178.7 | -71.2 | 170.3 | -178 | 0 | 0 | 112 | R32 Q74 M75 A80 K81 E82 | R32-E78 IonicContact CZ-OE2 3.86Å; R32-E78 IonicContact NH1-OE2 2.84Å; R32-E78 IonicContact NH2-OE2 3.54Å; R32-E78 PolarHBondContact NH2-OE2 3.11Å; Q74-E78 WeakPolarHBondContact O-CG 3.33Å; Q74-E78 PolarHBondContact O-N 2.92Å; M75-E78 PolarHBondContact O-N 2.87Å; E78-A80 VanDerWaalsContact C-N 3.33Å; E78-A80 PolarHBondContact O-N 3.42Å; E78-K81 WeakPolarHBondContact O-CB 3.29Å; E78-K81 PolarHBondContact O-N 3.44Å; E78-E82 WeakPolarHBondContact O-CB 3.3Å; E78-E82 VanDerWaalsContact O-CG 3.29Å; E78-E82 WeakPolarHBondContact O-CG 3.32Å; E78-E82 PolarHBondContact O-N 2.87Å |
| 79 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -32 | -175.9 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | R32 V35 M75 L76 N83 L87 | R32-V79 HydrophobicContact CG-CG2 4.06Å; V35-V79 HydrophobicContact CB-CG2 3.95Å; V35-V79 HydrophobicContact CG1-CG1 4.18Å; V35-V79 HydrophobicContact CG1-CG2 3.74Å; M75-V79 WeakPolarHBondContact O-CG1 3.26Å; M75-V79 PolarHBondContact O-N 2.98Å; M75-V79 HydrophobicContact SD-CB 4.5Å; M75-V79 HydrophobicContact SD-CG1 4.12Å; L76-V79 WeakPolarHBondContact O-CG1 3.29Å; V79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; V79-N83 WeakPolarHBondContact O-CB 3.4Å; V79-N83 PolarHBondContact O-N 2.94Å; V79-N83 PolarHBondContact O-ND2 3.45Å; V79-L87 HydrophobicContact CG1-CD2 3.65Å |
| 80 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | L76 S77 E78 N83 K84 L85 L87 F107 | L76-A80 VanDerWaalsContact O-CB 3.28Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 3.01Å; S77-A80 PolarHBondContact O-N 3.5Å; E78-A80 VanDerWaalsContact C-N 3.33Å; E78-A80 PolarHBondContact O-N 3.42Å; A80-N83 PolarHBondContact O-N 3.31Å; A80-K84 WeakPolarHBondContact O-CA 3.49Å; A80-K84 PolarHBondContact O-N 3.2Å; A80-L85 PolarHBondContact O-N 2.92Å; A80-L87 HydrophobicContact CB-CB 3.91Å; A80-L87 HydrophobicContact CB-CD2 4.27Å; A80-F107 HydrophobicContact CB-CB 3.79Å |
| 81 | K | 98.9 | Very high | 98.8 | Very high | 116 Ų | 116 | 38.9 Ų | 38.9 | 50% | 0.504 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 177.2 | -172.6 | 179 | -171.7 | 165.8 | 0 | 113.1 | S77 E78 N83 K84 P109 E110 | S77-K81 PolarHBondContact O-N 3.12Å; S77-K81 VanDerWaalsContact O-N 3.12Å; E78-K81 WeakPolarHBondContact O-CB 3.29Å; E78-K81 PolarHBondContact O-N 3.44Å; K81-N83 PolarHBondContact O-N 2.98Å; K81-K84 PolarHBondContact O-N 2.82Å; K81-P109 WeakPolarHBondContact CA-O 3.42Å; K81-E110 WeakPolarHBondContact CD-O 3.27Å |
| 82 | E | 98.7 | Very high | 98.8 | Very high | 119 Ų | 119 | 34 Ų | 34 | 56% | 0.556 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -54.9 | -36.5 | 179.1 | -76.9 | 170.6 | -167.7 | 0 | 0 | 111.8 | R32 E78 | R32-E82 IonicContact NH1-OE1 2.77Å; R32-E82 PolarHBondContact NH1-OE1 2.87Å; R32-E82 IonicContact NH1-OE2 3.91Å; R32-E82 PolarHBondContact NH1-OE2 3Å; E78-E82 WeakPolarHBondContact O-CB 3.3Å; E78-E82 VanDerWaalsContact O-CG 3.29Å; E78-E82 WeakPolarHBondContact O-CG 3.32Å; E78-E82 PolarHBondContact O-N 2.87Å |
| 83 | N | 98.7 | Very high | 98.8 | Very high | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -103.7 | -1.2 | -174.9 | -64.7 | -80.7 | 0 | 0 | 0 | 114.1 | A39 V79 A80 K81 L85 | A39-N83 HydrophobicContact CB-CB 3.66Å; V79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; V79-N83 WeakPolarHBondContact O-CB 3.4Å; V79-N83 PolarHBondContact O-N 2.94Å; V79-N83 PolarHBondContact O-ND2 3.45Å; A80-N83 PolarHBondContact O-N 3.31Å; K81-N83 PolarHBondContact O-N 2.98Å; N83-L85 HydrophobicContact CB-CD2 3.64Å; N83-L85 HydrophobicContact CB-CG 4.05Å; N83-L85 PolarHBondContact O-N 3.3Å |
| 84 | K | 98.5 | Very high | 98.8 | Very high | 158 Ų | 158 | 34 Ų | 34 | 69% | 0.687 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 51.1 | 178.1 | -54.8 | -174.4 | 179.3 | -173.5 | 0 | 113.5 | A80 K81 | A80-K84 WeakPolarHBondContact O-CA 3.49Å; A80-K84 PolarHBondContact O-N 3.2Å; K81-K84 PolarHBondContact O-N 2.82Å |
| 85 | L | 98.6 | Very high | 98.8 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -131.9 | 164.1 | -177.4 | 60.2 | 80 | 0 | 0 | 0 | 112 | V35 A39 V46 A80 N83 L87 G108 P109 | V35-L85 HydrophobicContact CG1-CD1 4.29Å; V35-L85 HydrophobicContact CG1-CD2 3.98Å; A39-L85 HydrophobicContact CB-CD2 3.75Å; V46-L85 HydrophobicContact CB-CD1 4.3Å; V46-L85 HydrophobicContact CG2-CD1 4.02Å; V46-L85 HydrophobicContact CG2-CD2 3.74Å; V46-L85 HydrophobicContact CG2-CG 4.46Å; A80-L85 PolarHBondContact O-N 2.92Å; N83-L85 HydrophobicContact CB-CD2 3.64Å; N83-L85 HydrophobicContact CB-CG 4.05Å; N83-L85 PolarHBondContact O-N 3.3Å; L85-L87 HydrophobicContact CD1-CB 3.75Å; L85-L87 HydrophobicContact CD1-CD1 4.45Å; L85-G108 CarbonylContact O-C 3.49Å; L85-P109 WeakPolarHBondContact O-CA 3.21Å |
| 86 | H | 98.9 | Very high | 98.8 | Very high | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.7 | 168.1 | -62.7 | 71 | 0 | 0 | 0 | 108.8 | K44 V45 V46 F107 T150 P151 | K44-H86 PolarHBondContact O-N 3.02Å; V45-H86 CarbonylContact C-O 3.55Å; V45-H86 WeakPolarHBondContact CA-O 3.3Å; V45-H86 HydrophobicContact CG2-CB 4.32Å; V46-H86 PolarHBondContact N-O 3.2Å; H86-F107 CarbonylContact C-O 3.51Å; H86-F107 WeakPolarHBondContact CA-O 3.28Å; H86-T150 HydrophobicContact CB-CG2 4.48Å; H86-P151 WeakPolarHBondContact CE1-CD 3.32Å |
| 87 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108.7 | -178.2 | -176.6 | 57.4 | 0 | 0 | 0 | 110 | V35 V46 L48 L76 V79 A80 L85 G89 V106 F107 | V35-L87 HydrophobicContact CG1-CD1 4.45Å; V35-L87 HydrophobicContact CG2-CD1 3.91Å; V35-L87 HydrophobicContact CG2-CD2 4.48Å; V46-L87 HydrophobicContact CB-CD1 3.82Å; V46-L87 HydrophobicContact CG1-CD1 3.93Å; L48-L87 HydrophobicContact CD1-CD1 4.16Å; L48-L87 HydrophobicContact CG-CD1 4.11Å; L76-L87 HydrophobicContact CB-CD2 4.1Å; L76-L87 HydrophobicContact CD2-CD2 3.64Å; L76-L87 HydrophobicContact CD2-CG 4.39Å; L76-L87 HydrophobicContact CG-CD2 4.46Å; V79-L87 HydrophobicContact CG1-CD2 3.65Å; A80-L87 HydrophobicContact CB-CB 3.91Å; A80-L87 HydrophobicContact CB-CD2 4.27Å; L85-L87 HydrophobicContact CD1-CB 3.75Å; L85-L87 HydrophobicContact CD1-CD1 4.45Å; L87-G89 PolarHBondContact O-N 3.02Å; L87-V106 CarbonylContact O-C 3.55Å; L87-V106 VanDerWaalsContact O-CA 3.32Å; L87-V106 WeakPolarHBondContact O-CA 3.41Å; L87-V106 WeakPolarHBondContact O-CG1 3.45Å; L87-F107 HydrophobicContact CB-CB 4.44Å; L87-F107 PolarHBondContact N-O 2.92Å; L87-F107 PolarHBondContact O-N 2.77Å |
| 88 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 100.5 | 166.8 | -175.1 | 0 | 0 | 0 | 0 | 107 | V45 V46 L47 L48 G90 V106 F148 V181 | V45-V88 HydrophobicContact CG1-CG2 4.38Å; V46-V88 PolarHBondContact O-N 3.12Å; L47-V88 HydrophobicContact CD1-CB 3.59Å; L47-V88 HydrophobicContact CD1-CG1 3.34Å; L47-V88 HydrophobicContact CD1-CG2 4.39Å; L48-V88 PolarHBondContact N-O 3.42Å; V88-G90 PolarHBondContact O-N 2.96Å; V88-V106 HydrophobicContact CG1-CG2 4.27Å; V88-V106 HydrophobicContact CG2-CG1 4.16Å; V88-F148 HydrophobicContact CG2-CE1 4.04Å; V88-F148 HydrophobicContact CG2-CZ 3.68Å; V88-V181 HydrophobicContact CG1-CG2 4.02Å; V88-V181 HydrophobicContact CG2-CG2 4.41Å |
| 89 | G | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -72.6 | 33.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F52 L87 S91 A105 | F52-G89 WeakPolarHBondContact CE1-O 3.43Å; L87-G89 PolarHBondContact O-N 3.02Å; G89-S91 PolarHBondContact O-N 3.01Å; G89-A105 WeakPolarHBondContact CA-O 3.34Å; G89-A105 PolarHBondContact N-O 3.33Å | ||
| 90 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 56.5 | -126.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L48 P49 V88 C104 | L48-G90 WeakPolarHBondContact O-CA 3.48Å; P49-G90 CarbonylContact O-C 3.55Å; P49-G90 WeakPolarHBondContact O-CA 3.35Å; V88-G90 PolarHBondContact O-N 2.96Å; G90-C104 WeakPolarHBondContact O-CA 3.27Å; G90-C104 WeakPolarHBondContact O-CB 3.24Å; G90-C104 PolarHBondContact O-SG 3.15Å | ||
| 91 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -146.3 | 161.7 | 159.9 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | P49 E50 C51 F52 G89 N102 T103 | P49-S91 PolarHBondContact O-N 3.23Å; P49-S91 VanDerWaalsContact O-N 3.13Å; E50-S91 WeakPolarHBondContact CA-OG 3.46Å; E50-S91 WeakPolarHBondContact CG-OG 3.46Å; C51-S91 CarbonylContact C-O 3.52Å; C51-S91 WeakPolarHBondContact CA-O 3.44Å; C51-S91 PolarHBondContact N-O 3.24Å; C51-S91 PolarHBondContact N-OG 3.05Å; F52-S91 WeakPolarHBondContact CD1-O 3.45Å; F52-S91 PolarHBondContact N-O 2.85Å; G89-S91 PolarHBondContact O-N 3.01Å; S91-N102 WeakPolarHBondContact CB-OD1 3.26Å; S91-N102 PolarHBondContact OG-OD1 3.22Å; S91-T103 CarbonylContact C-O 3.5Å; S91-T103 WeakPolarHBondContact CA-O 3.42Å; S91-T103 WeakPolarHBondContact CB-O 3.33Å | ||
| 92 | I | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156.5 | 173.5 | 67.8 | 173.4 | 0 | 0 | 0 | 110.1 | F52 N53 I68 T72 T73 E94 T103 | F52-I92 HydrophobicContact CD1-CG2 4.19Å; F52-I92 HydrophobicContact CE1-CG2 3.62Å; F52-I92 HydrophobicContact CZ-CG2 4.2Å; N53-I92 HydrophobicContact CB-CG2 4.06Å; N53-I92 VanDerWaalsContact CG-CG2 3.43Å; N53-I92 WeakPolarHBondContact ND2-CG2 3.28Å; I68-I92 HydrophobicContact CD1-CD1 4.22Å; I68-I92 HydrophobicContact CD1-CG1 4.5Å; I68-I92 HydrophobicContact CG1-CD1 4.32Å; T72-I92 HydrophobicContact CG2-CD1 4.41Å; T72-I92 HydrophobicContact CG2-CG2 3.75Å; T73-I92 HydrophobicContact CG2-CD1 4.1Å; I92-E94 PolarHBondContact O-N 2.83Å; I92-T103 PolarHBondContact N-O 2.88Å; I92-T103 PolarHBondContact O-N 2.99Å |
| 93 | P | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 119.6 | 162 | 26.9 | -31.4 | 0 | 0 | 0 | 109.4 | N53 F61 A65 E66 Y101 | N53-P93 WeakPolarHBondContact OD1-CD 3.3Å; F61-P93 HydrophobicContact CB-CB 4.26Å; F61-P93 HydrophobicContact CD1-CB 4.32Å; A65-P93 VanDerWaalsContact CA-O 3.28Å; A65-P93 WeakPolarHBondContact CA-O 3.38Å; A65-P93 HydrophobicContact CB-CB 4.14Å; E66-P93 PolarHBondContact N-O 2.84Å; E66-P93 VanDerWaalsContact N-O 3.07Å; P93-Y101 CarbonylContact C-O 3.49Å; P93-Y101 WeakPolarHBondContact CA-O 3.42Å |
| 94 | E | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.2 | 176 | 174.6 | -171.2 | -163.7 | 0 | 0 | 109.9 | E66 I68 I92 L100 Y101 T103 K116 R118 | E66-E94 CarbonylContact O-C 3.56Å; E66-E94 VanDerWaalsContact O-CA 3.23Å; E66-E94 WeakPolarHBondContact O-CA 3.27Å; I68-E94 HydrophobicContact CD1-CB 4.14Å; I68-E94 HydrophobicContact CD1-CG 3.93Å; I68-E94 HydrophobicContact CG1-CG 4.1Å; I92-E94 PolarHBondContact O-N 2.83Å; E94-L100 CarbonylContact O-C 3.45Å; E94-L100 WeakPolarHBondContact O-CA 3.5Å; E94-Y101 PolarHBondContact N-O 3.02Å; E94-Y101 PolarHBondContact O-N 2.96Å; E94-T103 VanDerWaalsContact CB-OG1 3.29Å; E94-T103 WeakPolarHBondContact CB-OG1 3.39Å; E94-T103 WeakPolarHBondContact OE2-CB 3.27Å; E94-T103 VanDerWaalsContact OE2-CG2 3.25Å; E94-T103 WeakPolarHBondContact OE2-CG2 3.34Å; E94-T103 PolarHBondContact OE2-OG1 3.26Å; E94-K116 WeakPolarHBondContact OE1-CD 3.35Å; E94-K116 WeakPolarHBondContact OE1-CE 3.28Å; E94-K116 IonicContact OE1-NZ 3.68Å; E94-K116 PolarHBondContact OE1-NZ 2.98Å; E94-R118 IonicContact OE1-CZ 3.74Å; E94-R118 IonicContact OE1-NE 2.66Å; E94-R118 IonicContact OE1-NH2 3.32Å; E94-R118 PolarHBondContact OE1-NH2 3.17Å; E94-R118 IonicContact OE2-CZ 3.41Å; E94-R118 IonicContact OE2-NE 3.34Å; E94-R118 PolarHBondContact OE2-NE 3.09Å; E94-R118 IonicContact OE2-NH2 3.47Å; E94-R118 PolarHBondContact OE2-NH2 3.17Å; E94-R118 VanDerWaalsContact OE2-NH2 3.16Å |
| 95 | E | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 23.5 Ų | 23.5 | 34% | 0.341 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.3 | 164.4 | -171.5 | -146.2 | 135.2 | 0 | 0 | 109.9 | A65 E66 K67 K99 L100 | A65-E95 HydrophobicContact CB-CB 4.22Å; E66-E95 PolarHBondContact O-N 2.91Å; K67-E95 VanDerWaalsContact CE-OE1 3.27Å; K67-E95 WeakPolarHBondContact CE-OE1 3.41Å; K67-E95 HydrophobicContact CG-CB 4.49Å; K67-E95 IonicContact NZ-OE1 3.92Å; E95-K99 WeakPolarHBondContact CA-O 3.44Å; E95-L100 HydrophobicContact CB-CD2 3.98Å; E95-L100 HydrophobicContact CG-CD2 4.15Å |
| 96 | D | 98.4 | Very high | 98.5 | Very high | 73 Ų | 73 | 23.4 Ų | 23.4 | 39% | 0.39 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 125.1 | 171.4 | -177.1 | 17.9 | 0 | 0 | 0 | 111 | G98 K99 Y101 R118 | D96-G98 VanDerWaalsContact C-N 3.25Å; D96-G98 PolarHBondContact O-N 3.43Å; D96-K99 PolarHBondContact N-O 3.21Å; D96-K99 PolarHBondContact O-N 2.96Å; D96-Y101 HydrophobicContact CB-CD2 4.35Å; D96-Y101 HydrophobicContact CB-CE2 4.07Å; D96-R118 IonicContact OD2-CZ 3.47Å; D96-R118 IonicContact OD2-NH1 3.36Å; D96-R118 PolarHBondContact OD2-NH1 3.36Å; D96-R118 IonicContact OD2-NH2 2.85Å; D96-R118 PolarHBondContact OD2-NH2 3.2Å |
| 97 | G | 96 | Very high | 98.5 | Very high | 74 Ų | 74 | 22.9 Ų | 22.9 | 76% | 0.763 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K99 | G97-K99 VanDerWaalsContact C-N 3.26Å; G97-K99 PolarHBondContact O-N 3.12Å |
| 98 | G | 95.9 | Very high | 98.5 | Very high | 72 Ų | 72 | 22.9 Ų | 22.9 | 74% | 0.742 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 8.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | D96 | D96-G98 VanDerWaalsContact C-N 3.25Å; D96-G98 PolarHBondContact O-N 3.43Å |
| 99 | K | 98.1 | Very high | 98.5 | Very high | 114 Ų | 114 | 24.6 Ų | 24.6 | 50% | 0.496 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 155 | 172.4 | -66 | 178.4 | 179.5 | -179.6 | 0 | 110.2 | E95 D96 G97 Y101 | E95-K99 WeakPolarHBondContact CA-O 3.44Å; D96-K99 PolarHBondContact N-O 3.21Å; D96-K99 PolarHBondContact O-N 2.96Å; G97-K99 VanDerWaalsContact C-N 3.26Å; G97-K99 PolarHBondContact O-N 3.12Å; K99-Y101 HydrophobicContact CB-CD2 4.49Å; K99-Y101 HydrophobicContact CB-CE2 3.64Å; K99-Y101 WeakPolarHBondContact CD-OH 3.24Å |
| 100 | L | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.7 | 174.5 | -59.2 | 178 | 0 | 0 | 0 | 110.3 | A65 E94 E95 T138 L139 S140 | A65-L100 HydrophobicContact CB-CD2 3.64Å; E94-L100 CarbonylContact O-C 3.45Å; E94-L100 WeakPolarHBondContact O-CA 3.5Å; E95-L100 HydrophobicContact CB-CD2 3.98Å; E95-L100 HydrophobicContact CG-CD2 4.15Å; L100-T138 HydrophobicContact CD1-CG2 3.73Å; L100-L139 HydrophobicContact CB-CD2 3.57Å; L100-L139 CarbonylContact O-C 3.54Å; L100-L139 WeakPolarHBondContact O-CA 3.42Å; L100-S140 PolarHBondContact O-N 3.48Å |
| 101 | Y | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.4 | -180 | -59.7 | -88.9 | 0 | 0 | 0 | 110.8 | P93 E94 D96 K99 T103 R118 S140 | P93-Y101 CarbonylContact C-O 3.49Å; P93-Y101 WeakPolarHBondContact CA-O 3.42Å; E94-Y101 PolarHBondContact N-O 3.02Å; E94-Y101 PolarHBondContact O-N 2.96Å; D96-Y101 HydrophobicContact CB-CD2 4.35Å; D96-Y101 HydrophobicContact CB-CE2 4.07Å; K99-Y101 HydrophobicContact CB-CD2 4.49Å; K99-Y101 HydrophobicContact CB-CE2 3.64Å; K99-Y101 WeakPolarHBondContact CD-OH 3.24Å; Y101-T103 WeakPolarHBondContact CB-OG1 3.41Å; Y101-R118 HydrophobicContact CD1-CB 4.33Å; Y101-R118 VanDerWaalsContact CD1-CD 3.46Å; Y101-R118 HydrophobicContact CD1-CG 4.08Å; Y101-R118 HydrophobicContact CG-CG 4.11Å; Y101-S140 WeakPolarHBondContact CD1-O 3.46Å |
| 102 | N | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 107.1 | 165.6 | -174.8 | -21.7 | 0 | 0 | 0 | 107.4 | E50 S91 K119 E135 L139 I159 | E50-N102 PolarHBondContact OE1-ND2 3.28Å; S91-N102 WeakPolarHBondContact CB-OD1 3.26Å; S91-N102 PolarHBondContact OG-OD1 3.22Å; N102-K119 HydrophobicContact CB-CB 3.93Å; N102-K119 HydrophobicContact CB-CD 4.07Å; N102-K119 PolarHBondContact O-N 3.46Å; N102-E135 PolarHBondContact ND2-OE1 3.22Å; N102-E135 VanDerWaalsContact ND2-OE1 3.09Å; N102-L139 HydrophobicContact CB-CD1 3.7Å; N102-I159 WeakPolarHBondContact O-CD1 3.25Å |
| 103 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.5 | -163.1 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | I68 S91 I92 E94 Y101 K116 H117 R118 | I68-T103 HydrophobicContact CD1-CG2 3.85Å; S91-T103 CarbonylContact C-O 3.5Å; S91-T103 WeakPolarHBondContact CA-O 3.42Å; S91-T103 WeakPolarHBondContact CB-O 3.33Å; I92-T103 PolarHBondContact N-O 2.88Å; I92-T103 PolarHBondContact O-N 2.99Å; E94-T103 VanDerWaalsContact CB-OG1 3.29Å; E94-T103 WeakPolarHBondContact CB-OG1 3.39Å; E94-T103 WeakPolarHBondContact OE2-CB 3.27Å; E94-T103 VanDerWaalsContact OE2-CG2 3.25Å; E94-T103 WeakPolarHBondContact OE2-CG2 3.34Å; E94-T103 PolarHBondContact OE2-OG1 3.26Å; Y101-T103 WeakPolarHBondContact CB-OG1 3.41Å; T103-K116 HydrophobicContact CG2-CD 3.81Å; T103-K116 HydrophobicContact CG2-CG 3.32Å; T103-H117 CarbonylContact C-O 3.12Å; T103-H117 WeakPolarHBondContact CA-O 3.26Å; T103-R118 HydrophobicContact CG2-CG 4.12Å; T103-R118 WeakPolarHBondContact OG1-CG 3.08Å |
| 104 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 114.9 | 167.6 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | G90 K116 H117 V157 I159 | G90-C104 WeakPolarHBondContact O-CA 3.27Å; G90-C104 WeakPolarHBondContact O-CB 3.24Å; G90-C104 PolarHBondContact O-SG 3.15Å; C104-K116 WeakPolarHBondContact O-CA 3.4Å; C104-H117 HydrophobicContact CB-CB 4.24Å; C104-H117 PolarHBondContact N-O 2.83Å; C104-H117 PolarHBondContact O-N 3.41Å; C104-V157 HydrophobicContact CB-CG1 4.14Å; C104-I159 HydrophobicContact CB-CD1 3.85Å; C104-I159 HydrophobicContact CB-CG1 4.22Å |
| 105 | A | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | T73 G89 F107 L113 L115 | T73-A105 HydrophobicContact CG2-CB 3.98Å; G89-A105 WeakPolarHBondContact CA-O 3.34Å; G89-A105 PolarHBondContact N-O 3.33Å; A105-F107 HydrophobicContact CB-CE2 3.67Å; A105-F107 HydrophobicContact CB-CZ 3.88Å; A105-L113 HydrophobicContact CB-CD1 3.7Å; A105-L115 WeakPolarHBondContact CA-O 3.43Å |
| 106 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.9 | 177.7 | -170 | 0 | 0 | 0 | 0 | 109.6 | L87 V88 I114 L115 F148 V157 | L87-V106 CarbonylContact O-C 3.55Å; L87-V106 VanDerWaalsContact O-CA 3.32Å; L87-V106 WeakPolarHBondContact O-CA 3.41Å; L87-V106 WeakPolarHBondContact O-CG1 3.45Å; V88-V106 HydrophobicContact CG1-CG2 4.27Å; V88-V106 HydrophobicContact CG2-CG1 4.16Å; V106-I114 HydrophobicContact CB-CG1 3.97Å; V106-I114 HydrophobicContact CG1-CD1 3.82Å; V106-I114 HydrophobicContact CG1-CG1 3.79Å; V106-I114 WeakPolarHBondContact O-CG1 3.36Å; V106-I114 PolarHBondContact O-N 2.94Å; V106-L115 HydrophobicContact CB-CB 3.94Å; V106-L115 HydrophobicContact CG2-CB 3.96Å; V106-L115 HydrophobicContact CG2-CD2 4.04Å; V106-L115 HydrophobicContact CG2-CG 4.37Å; V106-L115 PolarHBondContact N-O 3.37Å; V106-L115 PolarHBondContact O-N 3.47Å; V106-F148 HydrophobicContact CG1-CD1 4.15Å; V106-F148 HydrophobicContact CG1-CD2 4.14Å; V106-F148 HydrophobicContact CG1-CE1 3.92Å; V106-F148 HydrophobicContact CG1-CE2 3.91Å; V106-F148 HydrophobicContact CG1-CG 4.25Å; V106-F148 HydrophobicContact CG1-CZ 3.8Å; V106-F148 HydrophobicContact CG2-CD1 4.24Å; V106-F148 HydrophobicContact CG2-CE1 4.14Å; V106-V157 HydrophobicContact CG2-CG2 4.48Å |
| 107 | F | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.8 | -179.1 | -58.8 | -90 | 0 | 0 | 0 | 111.1 | T73 L76 A80 H86 L87 A105 E112 L113 | T73-F107 HydrophobicContact CG2-CZ 3.97Å; T73-F107 WeakPolarHBondContact O-CE1 3.19Å; T73-F107 WeakPolarHBondContact O-CZ 3.36Å; L76-F107 HydrophobicContact CB-CD2 3.69Å; L76-F107 HydrophobicContact CB-CE2 3.42Å; L76-F107 VanDerWaalsContact CB-CE2 3.42Å; L76-F107 HydrophobicContact CB-CZ 4.04Å; L76-F107 HydrophobicContact CD1-CD2 4.47Å; L76-F107 HydrophobicContact CD1-CE2 3.77Å; L76-F107 HydrophobicContact CG-CE2 4.27Å; A80-F107 HydrophobicContact CB-CB 3.79Å; H86-F107 CarbonylContact C-O 3.51Å; H86-F107 WeakPolarHBondContact CA-O 3.28Å; L87-F107 HydrophobicContact CB-CB 4.44Å; L87-F107 PolarHBondContact N-O 2.92Å; L87-F107 PolarHBondContact O-N 2.77Å; A105-F107 HydrophobicContact CB-CE2 3.67Å; A105-F107 HydrophobicContact CB-CZ 3.88Å; F107-E112 CarbonylContact C-O 3.55Å; F107-E112 VanDerWaalsContact CA-O 3.25Å; F107-E112 WeakPolarHBondContact CA-O 3.29Å; F107-L113 HydrophobicContact CD1-CB 4.33Å; F107-L113 HydrophobicContact CD1-CD1 4.35Å; F107-L113 HydrophobicContact CE1-CB 4.08Å; F107-L113 HydrophobicContact CE1-CD1 3.83Å; F107-L113 HydrophobicContact CE2-CD1 4.4Å; F107-L113 HydrophobicContact CZ-CD1 3.85Å |
| 108 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -82.5 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L85 E110 G111 E112 | L85-G108 CarbonylContact O-C 3.49Å; G108-E110 PolarHBondContact O-N 2.98Å; G108-G111 PolarHBondContact O-N 3.38Å; G108-E112 WeakPolarHBondContact CA-OE1 3.31Å; G108-E112 PolarHBondContact N-O 3.24Å | ||
| 109 | P | 98.4 | Very high | 98.7 | Very high | 35 Ų | 35 | 33.6 Ų | 33.6 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12 | -173 | 29.9 | -36.3 | 0 | 0 | 0 | 114.3 | K81 L85 | K81-P109 WeakPolarHBondContact CA-O 3.42Å; L85-P109 WeakPolarHBondContact O-CA 3.21Å |
| 110 | E | 98.6 | Very high | 98.7 | Very high | 126 Ų | 126 | 30 Ų | 30 | 59% | 0.589 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.1 | 173.3 | -58.1 | -59.3 | 142.5 | 0 | 0 | 112.2 | K81 G108 E112 | K81-E110 WeakPolarHBondContact CD-O 3.27Å; G108-E110 PolarHBondContact O-N 2.98Å; E110-E112 VanDerWaalsContact C-N 3.35Å; E110-E112 VanDerWaalsContact C-OE2 3.27Å; E110-E112 VanDerWaalsContact CA-OE2 3.26Å; E110-E112 WeakPolarHBondContact CA-OE2 3.3Å; E110-E112 VanDerWaalsContact CB-OE2 3.27Å; E110-E112 WeakPolarHBondContact CB-OE2 3.31Å; E110-E112 PolarHBondContact N-OE2 3.34Å |
| 111 | G | 98.6 | Very high | 98.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 84.7 | 5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S77 G108 | S77-G111 VanDerWaalsContact CB-O 3.31Å; S77-G111 WeakPolarHBondContact CB-O 3.38Å; S77-G111 VanDerWaalsContact O-CA 3.24Å; S77-G111 WeakPolarHBondContact O-CA 3.47Å; S77-G111 PolarHBondContact OG-O 3.42Å; G108-G111 PolarHBondContact O-N 3.38Å |
| 112 | E | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 31 Ų | 31 | 39% | 0.388 | 15% | 0.153 | S | C | . | . | trans | -72 | 137.5 | 179.6 | 76.7 | -70.3 | -173.9 | 0 | 0 | 111.5 | F107 G108 E110 I114 | F107-E112 CarbonylContact C-O 3.55Å; F107-E112 VanDerWaalsContact CA-O 3.25Å; F107-E112 WeakPolarHBondContact CA-O 3.29Å; G108-E112 WeakPolarHBondContact CA-OE1 3.31Å; G108-E112 PolarHBondContact N-O 3.24Å; E110-E112 VanDerWaalsContact C-N 3.35Å; E110-E112 VanDerWaalsContact C-OE2 3.27Å; E110-E112 VanDerWaalsContact CA-OE2 3.26Å; E110-E112 WeakPolarHBondContact CA-OE2 3.3Å; E110-E112 VanDerWaalsContact CB-OE2 3.27Å; E110-E112 WeakPolarHBondContact CB-OE2 3.31Å; E110-E112 PolarHBondContact N-OE2 3.34Å; E112-I114 HydrophobicContact CG-CG2 3.62Å; E112-I114 PolarHBondContact O-N 2.91Å | ||
| 113 | L | 98.8 | Very high | 98.4 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 106.4 | 172.9 | 179.4 | 69.5 | 0 | 0 | 0 | 108.8 | I68 A105 F107 L115 | I68-L113 HydrophobicContact CG2-CD2 4.09Å; A105-L113 HydrophobicContact CB-CD1 3.7Å; F107-L113 HydrophobicContact CD1-CB 4.33Å; F107-L113 HydrophobicContact CD1-CD1 4.35Å; F107-L113 HydrophobicContact CE1-CB 4.08Å; F107-L113 HydrophobicContact CE1-CD1 3.83Å; F107-L113 HydrophobicContact CE2-CD1 4.4Å; F107-L113 HydrophobicContact CZ-CD1 3.85Å; L113-L115 WeakPolarHBondContact CD1-O 3.48Å |
| 114 | I | 98.5 | Very high | 98.1 | Very high | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.297 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -19.4 | -176.7 | 60.6 | 175.5 | 0 | 0 | 0 | 113.4 | V106 E112 F148 | V106-I114 HydrophobicContact CB-CG1 3.97Å; V106-I114 HydrophobicContact CG1-CD1 3.82Å; V106-I114 HydrophobicContact CG1-CG1 3.79Å; V106-I114 WeakPolarHBondContact O-CG1 3.36Å; V106-I114 PolarHBondContact O-N 2.94Å; E112-I114 HydrophobicContact CG-CG2 3.62Å; E112-I114 PolarHBondContact O-N 2.91Å; I114-F148 HydrophobicContact CD1-CB 4.2Å; I114-F148 HydrophobicContact CD1-CD2 3.55Å; I114-F148 HydrophobicContact CD1-CE2 4.22Å; I114-F148 HydrophobicContact CD1-CG 4.1Å; I114-F148 HydrophobicContact CG1-CB 4.48Å |
| 115 | L | 98.6 | Very high | 97.6 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 144.3 | 177.7 | -178.6 | 67.5 | 0 | 0 | 0 | 111.2 | A105 V106 L113 F148 V157 | A105-L115 WeakPolarHBondContact CA-O 3.43Å; V106-L115 HydrophobicContact CB-CB 3.94Å; V106-L115 HydrophobicContact CG2-CB 3.96Å; V106-L115 HydrophobicContact CG2-CD2 4.04Å; V106-L115 HydrophobicContact CG2-CG 4.37Å; V106-L115 PolarHBondContact N-O 3.37Å; V106-L115 PolarHBondContact O-N 3.47Å; L113-L115 WeakPolarHBondContact CD1-O 3.48Å; L115-F148 HydrophobicContact CB-CB 4.23Å; L115-F148 HydrophobicContact CD2-CB 4.19Å; L115-F148 HydrophobicContact CD2-CD1 3.7Å; L115-F148 HydrophobicContact CD2-CG 4.39Å; L115-V157 HydrophobicContact CD2-CB 4.34Å; L115-V157 HydrophobicContact CD2-CG2 3.66Å |
| 116 | K | 98.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 113 | 166 | -172 | 171.2 | 69.1 | 171.5 | 0 | 109 | I68 E94 T103 C104 | I68-K116 HydrophobicContact CB-CD 4.45Å; I68-K116 HydrophobicContact CD1-CD 4.05Å; I68-K116 HydrophobicContact CG2-CD 4.29Å; E94-K116 WeakPolarHBondContact OE1-CD 3.35Å; E94-K116 WeakPolarHBondContact OE1-CE 3.28Å; E94-K116 IonicContact OE1-NZ 3.68Å; E94-K116 PolarHBondContact OE1-NZ 2.98Å; T103-K116 HydrophobicContact CG2-CD 3.81Å; T103-K116 HydrophobicContact CG2-CG 3.32Å; C104-K116 WeakPolarHBondContact O-CA 3.4Å |
| 117 | H | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.9 | 177.6 | 174.1 | 66.7 | 0 | 0 | 0 | 110 | T103 C104 S146 V157 D162 | T103-H117 CarbonylContact C-O 3.12Å; T103-H117 WeakPolarHBondContact CA-O 3.26Å; C104-H117 HydrophobicContact CB-CB 4.24Å; C104-H117 PolarHBondContact N-O 2.83Å; C104-H117 PolarHBondContact O-N 3.41Å; H117-S146 WeakPolarHBondContact CB-OG 3.17Å; H117-S146 VanDerWaalsContact ND1-CB 3.26Å; H117-S146 WeakPolarHBondContact ND1-CB 3.41Å; H117-S146 PolarHBondContact ND1-OG 3.32Å; H117-V157 HydrophobicContact CB-CB 4.26Å; H117-V157 HydrophobicContact CB-CG1 3.95Å; H117-D162 IonicContact NE2-OD2 2.67Å; H117-D162 PolarHBondContact NE2-OD2 2.76Å |
| 118 | R | 98.8 | Very high | 95.9 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.1 | 170.3 | -72.4 | 171.7 | 171.7 | 169.7 | 9.1 | 108.5 | E94 D96 Y101 T103 I120 G142 | E94-R118 IonicContact OE1-CZ 3.74Å; E94-R118 IonicContact OE1-NE 2.66Å; E94-R118 IonicContact OE1-NH2 3.32Å; E94-R118 PolarHBondContact OE1-NH2 3.17Å; E94-R118 IonicContact OE2-CZ 3.41Å; E94-R118 IonicContact OE2-NE 3.34Å; E94-R118 PolarHBondContact OE2-NE 3.09Å; E94-R118 IonicContact OE2-NH2 3.47Å; E94-R118 PolarHBondContact OE2-NH2 3.17Å; E94-R118 VanDerWaalsContact OE2-NH2 3.16Å; D96-R118 IonicContact OD2-CZ 3.47Å; D96-R118 IonicContact OD2-NH1 3.36Å; D96-R118 PolarHBondContact OD2-NH1 3.36Å; D96-R118 IonicContact OD2-NH2 2.85Å; D96-R118 PolarHBondContact OD2-NH2 3.2Å; Y101-R118 HydrophobicContact CD1-CB 4.33Å; Y101-R118 VanDerWaalsContact CD1-CD 3.46Å; Y101-R118 HydrophobicContact CD1-CG 4.08Å; Y101-R118 HydrophobicContact CG-CG 4.11Å; T103-R118 HydrophobicContact CG2-CG 4.12Å; T103-R118 WeakPolarHBondContact OG1-CG 3.08Å; R118-I120 PolarHBondContact O-N 3.4Å; R118-G142 VanDerWaalsContact CB-CA 3.48Å |
| 119 | K | 98.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | trans | -50 | 121.8 | 178.6 | -172.8 | 172.9 | -173 | 179.5 | 0 | 110.2 | E50 N102 H121 E135 G142 I159 | E50-K119 IonicContact OE1-NZ 3.94Å; E50-K119 PolarHBondContact OE1-NZ 3.03Å; N102-K119 HydrophobicContact CB-CB 3.93Å; N102-K119 HydrophobicContact CB-CD 4.07Å; N102-K119 PolarHBondContact O-N 3.46Å; K119-H121 WeakPolarHBondContact CE-O 3.45Å; K119-E135 WeakPolarHBondContact CD-OE2 3.37Å; K119-E135 VanDerWaalsContact CE-OE2 3.29Å; K119-E135 WeakPolarHBondContact CE-OE2 3.33Å; K119-E135 IonicContact NZ-OE1 2.76Å; K119-E135 PolarHBondContact NZ-OE1 3.46Å; K119-E135 VanDerWaalsContact NZ-OE1 3.08Å; K119-E135 IonicContact NZ-OE2 3.61Å; K119-E135 PolarHBondContact NZ-OE2 3.23Å; K119-G142 PolarHBondContact O-N 2.87Å; K119-I159 HydrophobicContact CB-CB 4.07Å; K119-I159 HydrophobicContact CB-CD1 4.04Å; K119-I159 HydrophobicContact CB-CG2 4.45Å; K119-I159 HydrophobicContact CD-CB 4.13Å; K119-I159 HydrophobicContact CD-CG2 3.83Å; K119-I159 WeakPolarHBondContact CE-O 3.33Å; K119-I159 HydrophobicContact CG-CB 3.95Å; K119-I159 HydrophobicContact CG-CG2 4.24Å | ||
| 120 | I | 98.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -81 | -44.3 | -173 | -60.6 | 168.3 | 0 | 0 | 0 | 109.4 | R118 P141 S144 L145 D162 L168 | R118-I120 PolarHBondContact O-N 3.4Å; I120-P141 WeakPolarHBondContact O-CB 3.27Å; I120-S144 WeakPolarHBondContact CD1-O 3.22Å; I120-L145 HydrophobicContact CD1-CD2 4.49Å; I120-D162 PolarHBondContact N-OD1 3.27Å; I120-D162 PolarHBondContact N-OD2 2.85Å; I120-L168 HydrophobicContact CD1-CD1 3.96Å |
| 121 | H | 98.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -105.5 | 106.1 | -177.9 | -50 | 87.7 | 0 | 0 | 0 | 109.9 | K119 Y161 D162 F165 | K119-H121 WeakPolarHBondContact CE-O 3.45Å; H121-Y161 HydrophobicContact CB-CD1 4.07Å; H121-D162 IonicContact CE1-OD1 3.16Å; H121-D162 IonicContact CG-OD1 2.8Å; H121-D162 PolarHBondContact N-OD1 2.86Å; H121-D162 IonicContact ND1-OD1 2.78Å; H121-D162 PolarHBondContact ND1-OD1 2.9Å; H121-F165 HydrophobicContact CB-CD2 3.72Å; H121-F165 HydrophobicContact CB-CE2 3.27Å; H121-F165 HydrophobicContact CB-CZ 3.81Å; H121-F165 AromaticContact CD2-CD1 3.48Å; H121-F165 VanDerWaalsContact CD2-CD1 3.48Å; H121-F165 WeakPolarHBondContact CD2-CD1 3.35Å; H121-F165 AromaticContact CD2-CD2 3.53Å; H121-F165 AromaticContact CD2-CE1 3.41Å; H121-F165 VanDerWaalsContact CD2-CE1 3.41Å; H121-F165 WeakPolarHBondContact CD2-CE1 3.17Å; H121-F165 AromaticContact CD2-CE2 3.5Å; H121-F165 VanDerWaalsContact CD2-CE2 3.5Å; H121-F165 WeakPolarHBondContact CD2-CE2 3.3Å; H121-F165 AromaticContact CD2-CG 3.54Å; H121-F165 AromaticContact CD2-CZ 3.42Å; H121-F165 VanDerWaalsContact CD2-CZ 3.42Å; H121-F165 WeakPolarHBondContact CD2-CZ 3.48Å; H121-F165 AromaticContact CE1-CD2 3.89Å; H121-F165 AromaticContact CE1-CG 3.68Å; H121-F165 AromaticContact CG-CD2 3.31Å; H121-F165 AromaticContact CG-CE2 3.3Å; H121-F165 AromaticContact CG-CG 3.77Å; H121-F165 AromaticContact CG-CZ 3.72Å; H121-F165 AromaticContact ND1-CD2 3.55Å; H121-F165 AromaticContact ND1-CG 3.85Å; H121-F165 AromaticContact NE2-CD1 3.51Å; H121-F165 AromaticContact NE2-CD2 3.9Å; H121-F165 AromaticContact NE2-CE1 3.93Å; H121-F165 AromaticContact NE2-CG 3.49Å; H121-F165 WeakPolarHBondContact NE2-CG 3.33Å |
| 122 | L | 97.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | trans | -68.5 | 145.1 | 177.2 | -60 | -174.8 | 0 | 0 | 0 | 111.3 | D124 E135 L139 P141 Y161 | L122-D124 PolarHBondContact O-N 2.82Å; L122-E135 WeakPolarHBondContact CA-OE2 3.2Å; L122-E135 HydrophobicContact CB-CB 4.25Å; L122-E135 HydrophobicContact CD2-CG 4.43Å; L122-L139 HydrophobicContact CD1-CB 4.46Å; L122-L139 VanDerWaalsContact CD1-O 3.25Å; L122-L139 WeakPolarHBondContact CD1-O 3.49Å; L122-L139 HydrophobicContact CD2-CB 4.24Å; L122-P141 HydrophobicContact CD1-CB 4.43Å; L122-P141 HydrophobicContact CG-CB 4.21Å; L122-Y161 WeakPolarHBondContact O-CD1 3.49Å; L122-Y161 WeakPolarHBondContact O-CE1 3.36Å | ||
| 123 | F | 93.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | trans | -79.9 | 81.2 | -177.3 | -176.6 | -132.8 | 0 | 0 | 0 | 111.9 | I125 F133 E135 Y161 Y223 | F123-I125 HydrophobicContact CD2-CG1 4.2Å; F123-I125 HydrophobicContact CD2-CG2 3.86Å; F123-I125 HydrophobicContact CE1-CD1 4.13Å; F123-I125 HydrophobicContact CE1-CG1 4.11Å; F123-I125 HydrophobicContact CE2-CB 4.16Å; F123-I125 HydrophobicContact CE2-CD1 3.42Å; F123-I125 VanDerWaalsContact CE2-CD1 3.42Å; F123-I125 HydrophobicContact CE2-CG1 3.51Å; F123-I125 HydrophobicContact CE2-CG2 3.55Å; F123-I125 HydrophobicContact CZ-CD1 3.17Å; F123-I125 HydrophobicContact CZ-CG1 3.47Å; F123-I125 VanDerWaalsContact CZ-CG1 3.47Å; F123-I125 HydrophobicContact CZ-CG2 4.4Å; F123-F133 HydrophobicContact CB-CD1 4.48Å; F123-F133 HydrophobicContact CD1-CB 3.89Å; F123-F133 AromaticContact CD1-CD1 3.48Å; F123-F133 HydrophobicContact CD1-CD1 3.48Å; F123-F133 VanDerWaalsContact CD1-CD1 3.48Å; F123-F133 HydrophobicContact CD1-CE1 4.18Å; F123-F133 AromaticContact CD1-CG 3.8Å; F123-F133 HydrophobicContact CD1-CG 3.8Å; F123-F133 HydrophobicContact CE1-CB 3.76Å; F123-F133 HydrophobicContact CE1-CD1 4.17Å; F123-F133 AromaticContact CE1-CG 4Å; F123-F133 HydrophobicContact CE1-CG 4Å; F123-F133 HydrophobicContact CG-CD1 4.33Å; F123-F133 CarbonylContact O-C 3.6Å; F123-F133 WeakPolarHBondContact O-CD1 3.24Å; F123-E135 HydrophobicContact CB-CB 4.23Å; F123-E135 PolarHBondContact N-OE2 2.88Å; F123-E135 PolarHBondContact O-N 3.44Å; F123-Y161 HydrophobicContact CB-CG 4.34Å; F123-Y161 AromaticContact CD2-CD2 3.32Å; F123-Y161 HydrophobicContact CD2-CD2 3.32Å; F123-Y161 AromaticContact CD2-CE2 3.53Å; F123-Y161 HydrophobicContact CD2-CE2 3.53Å; F123-Y161 AromaticContact CD2-CG 3.9Å; F123-Y161 HydrophobicContact CD2-CG 3.9Å; F123-Y161 AromaticContact CE2-CD2 3.86Å; F123-Y161 HydrophobicContact CE2-CD2 3.86Å; F123-Y161 AromaticContact CE2-CE2 3.84Å; F123-Y161 HydrophobicContact CE2-CE2 3.84Å; F123-Y161 HydrophobicContact CG-CD2 4.36Å; F123-Y223 HydrophobicContact CE1-CE2 4Å | ||
| 124 | D | 92.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 102.5 | 174.3 | -66.3 | -9.5 | 0 | 0 | 0 | 109.3 | L122 F133 Q134 E135 S136 | L122-D124 PolarHBondContact O-N 2.82Å; D124-F133 CarbonylContact C-O 3.57Å; D124-F133 WeakPolarHBondContact CA-O 3.32Å; D124-Q134 VanDerWaalsContact OD1-C 3.31Å; D124-Q134 WeakPolarHBondContact OD1-CA 3.44Å; D124-E135 PolarHBondContact OD1-N 2.86Å; D124-S136 PolarHBondContact OD1-N 2.85Å; D124-S136 PolarHBondContact OD1-OG 2.9Å; D124-S136 WeakPolarHBondContact OD2-CB 3.43Å; D124-S136 PolarHBondContact OD2-OG 2.83Å |
| 125 | I | 89 | Confident | 92.1 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.6 | 177.3 | 65.9 | 159.3 | 0 | 0 | 0 | 111.9 | F123 V127 I131 R132 F133 Y161 T190 | F123-I125 HydrophobicContact CD2-CG1 4.2Å; F123-I125 HydrophobicContact CD2-CG2 3.86Å; F123-I125 HydrophobicContact CE1-CD1 4.13Å; F123-I125 HydrophobicContact CE1-CG1 4.11Å; F123-I125 HydrophobicContact CE2-CB 4.16Å; F123-I125 HydrophobicContact CE2-CD1 3.42Å; F123-I125 VanDerWaalsContact CE2-CD1 3.42Å; F123-I125 HydrophobicContact CE2-CG1 3.51Å; F123-I125 HydrophobicContact CE2-CG2 3.55Å; F123-I125 HydrophobicContact CZ-CD1 3.17Å; F123-I125 HydrophobicContact CZ-CG1 3.47Å; F123-I125 VanDerWaalsContact CZ-CG1 3.47Å; F123-I125 HydrophobicContact CZ-CG2 4.4Å; I125-V127 HydrophobicContact CD1-CG2 4.28Å; I125-I131 HydrophobicContact CD1-CG1 4.35Å; I125-I131 HydrophobicContact CD1-CG2 3.69Å; I125-R132 WeakPolarHBondContact O-CA 3.3Å; I125-F133 PolarHBondContact N-O 2.8Å; I125-F133 PolarHBondContact O-N 2.84Å; I125-F133 VanDerWaalsContact O-O 3.13Å; I125-Y161 HydrophobicContact CG2-CE2 3.8Å; I125-Y161 WeakPolarHBondContact CG2-OH 3.33Å; I125-T190 HydrophobicContact CD1-CG2 4.48Å |
| 126 | D | 90.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 55 Ų | 55 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 105.4 | 167.6 | -167.3 | -10.1 | 0 | 0 | 0 | 108.3 | P128 R132 | D126-P128 WeakPolarHBondContact O-CD 3.41Å; D126-R132 HydrophobicContact CB-CG 4.4Å |
| 127 | V | 85.1 | Confident | 91.5 | Very high | 50 Ų | 50 | 57 Ų | 57 | 30% | 0.303 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 101.7 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | I125 G129 K130 I131 | I125-V127 HydrophobicContact CD1-CG2 4.28Å; V127-G129 PolarHBondContact O-N 3.3Å; V127-K130 HydrophobicContact CB-CB 4.25Å; V127-K130 HydrophobicContact CG1-CB 3.89Å; V127-K130 HydrophobicContact CG1-CD 3.94Å; V127-K130 HydrophobicContact CG1-CG 4.18Å; V127-K130 PolarHBondContact O-N 3.4Å; V127-I131 HydrophobicContact CB-CG2 3.97Å; V127-I131 HydrophobicContact CG2-CG2 4.03Å; V127-I131 PolarHBondContact N-O 2.8Å; V127-I131 PolarHBondContact O-N 2.73Å; V127-I131 VanDerWaalsContact O-N 3.11Å |
| 128 | P | 84.7 | Confident | 91.3 | Very high | 112 Ų | 112 | 59.1 Ų | 59.1 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 128.4 | -173.2 | -30.9 | 35.9 | 0 | 0 | 0 | 112.8 | D126 K130 | D126-P128 WeakPolarHBondContact O-CD 3.41Å; P128-K130 PolarHBondContact O-N 3.48Å |
| 129 | G | 84.4 | Confident | 91.3 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 95% | 0.948 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 5.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V127 | V127-G129 PolarHBondContact O-N 3.3Š|
| 130 | K | 83.7 | Confident | 91.2 | Very high | 147 Ų | 147 | 59.2 Ų | 59.2 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -59.7 | -179.9 | -61.9 | -170.2 | -179.4 | -179.2 | 0 | 113.5 | V127 P128 T189 | V127-K130 HydrophobicContact CB-CB 4.25Å; V127-K130 HydrophobicContact CG1-CB 3.89Å; V127-K130 HydrophobicContact CG1-CD 3.94Å; V127-K130 HydrophobicContact CG1-CG 4.18Å; V127-K130 PolarHBondContact O-N 3.4Å; P128-K130 PolarHBondContact O-N 3.48Å; K130-T189 HydrophobicContact CB-CG2 4.27Å; K130-T189 HydrophobicContact CD-CG2 3.61Å |
| 131 | I | 82.3 | Confident | 91.2 | Very high | 38 Ų | 38 | 60.9 Ų | 60.9 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 131.2 | -176.8 | -177.9 | 63 | 0 | 0 | 0 | 110.5 | I125 V127 | I125-I131 HydrophobicContact CD1-CG1 4.35Å; I125-I131 HydrophobicContact CD1-CG2 3.69Å; V127-I131 HydrophobicContact CB-CG2 3.97Å; V127-I131 HydrophobicContact CG2-CG2 4.03Å; V127-I131 PolarHBondContact N-O 2.8Å; V127-I131 PolarHBondContact O-N 2.73Å; V127-I131 VanDerWaalsContact O-N 3.11Å |
| 132 | R | 87.9 | Confident | 91.2 | Very high | 162 Ų | 162 | 59 Ų | 59 | 61% | 0.611 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.6 | 163.7 | 179.5 | 175 | 169.3 | -176.1 | -3.7 | 107.9 | I125 D126 | I125-R132 WeakPolarHBondContact O-CA 3.3Å; D126-R132 HydrophobicContact CB-CG 4.4Å |
| 133 | F | 89.5 | Confident | 91.1 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 133.5 | 175.8 | -161.2 | -83.8 | 0 | 0 | 0 | 108.2 | Y56 F61 F123 D124 I125 E135 Y223 | Y56-F133 HydrophobicContact CD1-CE2 4.11Å; Y56-F133 AromaticContact CD1-CZ 3.86Å; Y56-F133 HydrophobicContact CD1-CZ 3.86Å; Y56-F133 AromaticContact CE1-CE1 3.71Å; Y56-F133 HydrophobicContact CE1-CE1 3.71Å; Y56-F133 AromaticContact CE1-CE2 3.84Å; Y56-F133 HydrophobicContact CE1-CE2 3.84Å; Y56-F133 AromaticContact CE1-CZ 3.32Å; Y56-F133 HydrophobicContact CE1-CZ 3.32Å; Y56-F133 AromaticContact CZ-CE1 3.83Å; Y56-F133 AromaticContact CZ-CZ 3.75Å; F61-F133 HydrophobicContact CZ-CZ 4.31Å; F123-F133 HydrophobicContact CB-CD1 4.48Å; F123-F133 HydrophobicContact CD1-CB 3.89Å; F123-F133 AromaticContact CD1-CD1 3.48Å; F123-F133 HydrophobicContact CD1-CD1 3.48Å; F123-F133 VanDerWaalsContact CD1-CD1 3.48Å; F123-F133 HydrophobicContact CD1-CE1 4.18Å; F123-F133 AromaticContact CD1-CG 3.8Å; F123-F133 HydrophobicContact CD1-CG 3.8Å; F123-F133 HydrophobicContact CE1-CB 3.76Å; F123-F133 HydrophobicContact CE1-CD1 4.17Å; F123-F133 AromaticContact CE1-CG 4Å; F123-F133 HydrophobicContact CE1-CG 4Å; F123-F133 HydrophobicContact CG-CD1 4.33Å; F123-F133 CarbonylContact O-C 3.6Å; F123-F133 WeakPolarHBondContact O-CD1 3.24Å; D124-F133 CarbonylContact C-O 3.57Å; D124-F133 WeakPolarHBondContact CA-O 3.32Å; I125-F133 PolarHBondContact N-O 2.8Å; I125-F133 PolarHBondContact O-N 2.84Å; I125-F133 VanDerWaalsContact O-O 3.13Å; F133-E135 HydrophobicContact CD1-CB 4.18Å; F133-E135 HydrophobicContact CE1-CB 3.85Å; F133-E135 HydrophobicContact CE1-CG 4.27Å; F133-Y223 HydrophobicContact CD2-CD2 4.16Å; F133-Y223 HydrophobicContact CD2-CE2 4.45Å; F133-Y223 HydrophobicContact CE2-CD2 4.22Å |
| 134 | Q | 92.9 | Very high | 91.2 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 81.4 | -176.9 | -164.6 | 176.2 | -23.7 | 0 | 0 | 109 | T58 D124 S136 E137 | T58-Q134 WeakPolarHBondContact CG2-O 3.09Å; D124-Q134 VanDerWaalsContact OD1-C 3.31Å; D124-Q134 WeakPolarHBondContact OD1-CA 3.44Å; Q134-S136 PolarHBondContact O-N 3.17Å; Q134-E137 HydrophobicContact CB-CG 3.94Å; Q134-E137 HydrophobicContact CG-CG 3.79Å; Q134-E137 WeakPolarHBondContact O-CB 3.18Å; Q134-E137 PolarHBondContact O-N 3.31Å; Q134-E137 VanDerWaalsContact O-N 3.16Å; Q134-E137 PolarHBondContact OE1-OE1 2.83Å |
| 135 | E | 89.3 | Confident | 91.4 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.8 | -177.5 | -164.9 | 174.1 | -136.5 | 0 | 0 | 111.5 | Y56 F61 N102 K119 L122 F123 D124 F133 E137 T138 L139 | Y56-E135 VanDerWaalsContact OH-CD 3.25Å; Y56-E135 PolarHBondContact OH-OE1 2.71Å; F61-E135 HydrophobicContact CE2-CG 4.21Å; N102-E135 PolarHBondContact ND2-OE1 3.22Å; N102-E135 VanDerWaalsContact ND2-OE1 3.09Å; K119-E135 WeakPolarHBondContact CD-OE2 3.37Å; K119-E135 VanDerWaalsContact CE-OE2 3.29Å; K119-E135 WeakPolarHBondContact CE-OE2 3.33Å; K119-E135 IonicContact NZ-OE1 2.76Å; K119-E135 PolarHBondContact NZ-OE1 3.46Å; K119-E135 VanDerWaalsContact NZ-OE1 3.08Å; K119-E135 IonicContact NZ-OE2 3.61Å; K119-E135 PolarHBondContact NZ-OE2 3.23Å; L122-E135 WeakPolarHBondContact CA-OE2 3.2Å; L122-E135 HydrophobicContact CB-CB 4.25Å; L122-E135 HydrophobicContact CD2-CG 4.43Å; F123-E135 HydrophobicContact CB-CB 4.23Å; F123-E135 PolarHBondContact N-OE2 2.88Å; F123-E135 PolarHBondContact O-N 3.44Å; D124-E135 PolarHBondContact OD1-N 2.86Å; F133-E135 HydrophobicContact CD1-CB 4.18Å; F133-E135 HydrophobicContact CE1-CB 3.85Å; F133-E135 HydrophobicContact CE1-CG 4.27Å; E135-E137 PolarHBondContact O-N 2.94Å; E135-T138 PolarHBondContact O-N 3.45Å; E135-L139 HydrophobicContact CG-CB 4.18Å; E135-L139 HydrophobicContact CG-CD1 3.53Å; E135-L139 HydrophobicContact CG-CG 3.95Å; E135-L139 PolarHBondContact O-N 3.24Å |
| 136 | S | 93.4 | Very high | 91.8 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -68.1 | -11.6 | 177.7 | 65.6 | 0 | 0 | 0 | 0 | 115.8 | D124 Q134 T138 | D124-S136 PolarHBondContact OD1-N 2.85Å; D124-S136 PolarHBondContact OD1-OG 2.9Å; D124-S136 WeakPolarHBondContact OD2-CB 3.43Å; D124-S136 PolarHBondContact OD2-OG 2.83Å; Q134-S136 PolarHBondContact O-N 3.17Å; S136-T138 PolarHBondContact O-N 3Å |
| 137 | E | 92.4 | Very high | 92.1 | Very high | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -64.9 | -23.1 | 171.3 | -71.9 | -178.6 | 167.8 | 0 | 0 | 112.1 | Q134 E135 | Q134-E137 HydrophobicContact CB-CG 3.94Å; Q134-E137 HydrophobicContact CG-CG 3.79Å; Q134-E137 WeakPolarHBondContact O-CB 3.18Å; Q134-E137 PolarHBondContact O-N 3.31Å; Q134-E137 VanDerWaalsContact O-N 3.16Å; Q134-E137 PolarHBondContact OE1-OE1 2.83Å; E135-E137 PolarHBondContact O-N 2.94Å |
| 138 | T | 94.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -36.9 | -173.8 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | T58 F61 L100 E135 S136 | T58-T138 WeakPolarHBondContact CB-OG1 3.29Å; F61-T138 HydrophobicContact CB-CG2 3.99Å; F61-T138 HydrophobicContact CD2-CG2 4.13Å; L100-T138 HydrophobicContact CD1-CG2 3.73Å; E135-T138 PolarHBondContact O-N 3.45Å; S136-T138 PolarHBondContact O-N 3Å |
| 139 | L | 97.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 153.1 | -177.3 | -54.9 | -168.9 | 0 | 0 | 0 | 112.1 | F61 L100 N102 L122 E135 | F61-L139 HydrophobicContact CB-CD2 3.82Å; F61-L139 HydrophobicContact CD2-CD1 3.94Å; F61-L139 HydrophobicContact CD2-CD2 3.68Å; F61-L139 HydrophobicContact CD2-CG 3.67Å; F61-L139 HydrophobicContact CE1-CD1 4.49Å; F61-L139 HydrophobicContact CE2-CD1 3.85Å; F61-L139 HydrophobicContact CE2-CD2 4.41Å; F61-L139 HydrophobicContact CE2-CG 3.94Å; F61-L139 HydrophobicContact CG-CD1 4.32Å; F61-L139 HydrophobicContact CG-CD2 3.81Å; F61-L139 HydrophobicContact CG-CG 4.24Å; F61-L139 HydrophobicContact CZ-CD1 4.15Å; L100-L139 HydrophobicContact CB-CD2 3.57Å; L100-L139 CarbonylContact O-C 3.54Å; L100-L139 WeakPolarHBondContact O-CA 3.42Å; N102-L139 HydrophobicContact CB-CD1 3.7Å; L122-L139 HydrophobicContact CD1-CB 4.46Å; L122-L139 VanDerWaalsContact CD1-O 3.25Å; L122-L139 WeakPolarHBondContact CD1-O 3.49Å; L122-L139 HydrophobicContact CD2-CB 4.24Å; E135-L139 HydrophobicContact CG-CB 4.18Å; E135-L139 HydrophobicContact CG-CD1 3.53Å; E135-L139 HydrophobicContact CG-CG 3.95Å; E135-L139 PolarHBondContact O-N 3.24Å |
| 140 | S | 98.4 | Very high | 94 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 145.8 | 170.3 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | L100 Y101 | L100-S140 PolarHBondContact O-N 3.48Å; Y101-S140 WeakPolarHBondContact CD1-O 3.46Å |
| 141 | P | 98.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 151.8 | 177.6 | 30.3 | -34.6 | 0 | 0 | 0 | 111.8 | I120 L122 | I120-P141 WeakPolarHBondContact O-CB 3.27Å; L122-P141 HydrophobicContact CD1-CB 4.43Å; L122-P141 HydrophobicContact CG-CB 4.21Å |
| 142 | G | 97.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 164.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R118 K119 | R118-G142 VanDerWaalsContact CB-CA 3.48Å; K119-G142 PolarHBondContact O-N 2.87Å |
| 143 | N | 95.6 | Very high | 95.8 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | trans | -134.2 | 15.1 | -173.4 | 66.7 | -11.4 | 0 | 0 | 0 | 113.8 | ||||
| 144 | S | 95.1 | Very high | 96.3 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -139 | 146.2 | -176.6 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | I120 | I120-S144 WeakPolarHBondContact CD1-O 3.22Š|
| 145 | L | 96.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | trans | -74.4 | 139.6 | 165.4 | -61.9 | 177.2 | 0 | 0 | 0 | 108.8 | I120 L168 L171 Y172 A280 | I120-L145 HydrophobicContact CD1-CD2 4.49Å; L145-L168 HydrophobicContact CD2-CD1 3.42Å; L145-L168 VanDerWaalsContact CD2-CD1 3.42Å; L145-L171 HydrophobicContact CD1-CB 4.38Å; L145-L171 HydrophobicContact CD1-CD1 4.22Å; L145-L171 HydrophobicContact CD2-CD1 4.34Å; L145-Y172 HydrophobicContact CB-CE1 4.06Å; L145-Y172 HydrophobicContact CD2-CE1 4.39Å; L145-A280 HydrophobicContact CD1-CB 3.9Å | ||
| 146 | S | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | trans | -127.9 | 113.3 | -170.5 | -57.6 | 0 | 0 | 0 | 0 | 112 | H117 V157 Y172 | H117-S146 WeakPolarHBondContact CB-OG 3.17Å; H117-S146 VanDerWaalsContact ND1-CB 3.26Å; H117-S146 WeakPolarHBondContact ND1-CB 3.41Å; H117-S146 PolarHBondContact ND1-OG 3.32Å; S146-V157 PolarHBondContact O-N 3.11Å; S146-Y172 PolarHBondContact N-OH 3.01Å; S146-Y172 WeakPolarHBondContact O-CE1 3.33Å; S146-Y172 PolarHBondContact O-OH 3.17Å | ||
| 147 | T | 98.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147.4 | 175.8 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | V155 Y172 K175 C177 | T147-V155 CarbonylContact C-O 3.59Å; T147-V155 WeakPolarHBondContact CA-O 3.29Å; T147-Y172 HydrophobicContact CG2-CD1 3.54Å; T147-Y172 HydrophobicContact CG2-CE1 3.78Å; T147-K175 HydrophobicContact CG2-CD 4.25Å; T147-C177 VanDerWaalsContact CG2-SG 3.54Å |
| 148 | F | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.2 | 171.2 | 69 | -81.7 | 0 | 0 | 0 | 110.6 | V88 V106 I114 L115 T150 V155 V157 | V88-F148 HydrophobicContact CG2-CE1 4.04Å; V88-F148 HydrophobicContact CG2-CZ 3.68Å; V106-F148 HydrophobicContact CG1-CD1 4.15Å; V106-F148 HydrophobicContact CG1-CD2 4.14Å; V106-F148 HydrophobicContact CG1-CE1 3.92Å; V106-F148 HydrophobicContact CG1-CE2 3.91Å; V106-F148 HydrophobicContact CG1-CG 4.25Å; V106-F148 HydrophobicContact CG1-CZ 3.8Å; V106-F148 HydrophobicContact CG2-CD1 4.24Å; V106-F148 HydrophobicContact CG2-CE1 4.14Å; I114-F148 HydrophobicContact CD1-CB 4.2Å; I114-F148 HydrophobicContact CD1-CD2 3.55Å; I114-F148 HydrophobicContact CD1-CE2 4.22Å; I114-F148 HydrophobicContact CD1-CG 4.1Å; I114-F148 HydrophobicContact CG1-CB 4.48Å; L115-F148 HydrophobicContact CB-CB 4.23Å; L115-F148 HydrophobicContact CD2-CB 4.19Å; L115-F148 HydrophobicContact CD2-CD1 3.7Å; L115-F148 HydrophobicContact CD2-CG 4.39Å; F148-T150 HydrophobicContact CD2-CG2 4.02Å; F148-T150 HydrophobicContact CE2-CG2 3.55Å; F148-V155 HydrophobicContact CD1-CB 3.98Å; F148-V155 HydrophobicContact CD1-CG1 4.39Å; F148-V155 HydrophobicContact CE1-CB 3.49Å; F148-V155 VanDerWaalsContact CE1-CB 3.49Å; F148-V155 HydrophobicContact CE1-CG1 3.53Å; F148-V155 HydrophobicContact CE1-CG2 4.28Å; F148-V155 HydrophobicContact CE2-CB 4.13Å; F148-V155 HydrophobicContact CE2-CG2 4.1Å; F148-V155 HydrophobicContact CZ-CB 3.57Å; F148-V155 HydrophobicContact CZ-CG1 3.73Å; F148-V155 HydrophobicContact CZ-CG2 3.84Å; F148-V155 PolarHBondContact N-O 3.07Å; F148-V155 PolarHBondContact O-N 3.43Å; F148-V157 HydrophobicContact CD1-CG2 4.02Å; F148-V157 HydrophobicContact CE1-CG2 3.83Å |
| 149 | D | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 34.2 Ų | 34.2 | 48% | 0.476 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.6 | 177.6 | -70.4 | -45.5 | 0 | 0 | 0 | 110.2 | R154 | D149-R154 VanDerWaalsContact OD1-CB 3.29Å; D149-R154 WeakPolarHBondContact OD1-CB 3.5Å; D149-R154 WeakPolarHBondContact OD1-CG 3.47Å; D149-R154 IonicContact OD1-CZ 3.81Å; D149-R154 IonicContact OD1-NE 3.24Å; D149-R154 PolarHBondContact OD1-NE 2.87Å; D149-R154 IonicContact OD1-NH2 2.72Å; D149-R154 PolarHBondContact OD1-NH2 2.97Å; D149-R154 IonicContact OD2-CZ 3.08Å; D149-R154 IonicContact OD2-NE 3.89Å; D149-R154 IonicContact OD2-NH2 3.34Å; D149-R154 PolarHBondContact OD2-NH2 3Å |
| 150 | T | 97.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | trans | -115.9 | 169.1 | 167.2 | 67.6 | 0 | 0 | 0 | 0 | 108.4 | V45 H86 F148 F152 C153 V155 | V45-T150 HydrophobicContact CG2-CG2 4.46Å; H86-T150 HydrophobicContact CB-CG2 4.48Å; F148-T150 HydrophobicContact CD2-CG2 4.02Å; F148-T150 HydrophobicContact CE2-CG2 3.55Å; T150-F152 PolarHBondContact O-N 3.23Å; T150-F152 PolarHBondContact OG1-N 3.39Å; T150-C153 PolarHBondContact N-O 2.88Å; T150-C153 PolarHBondContact OG1-N 3.33Å; T150-C153 PolarHBondContact OG1-O 2.89Å; T150-V155 HydrophobicContact CG2-CG2 4.18Å | ||
| 151 | P | 96.8 | Very high | 97.9 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 60% | 0.604 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -59.3 | -11.6 | 169.8 | -25.7 | 35.5 | 0 | 0 | 0 | 114.7 | H86 | H86-P151 WeakPolarHBondContact CE1-CD 3.32Š|
| 152 | F | 96.5 | Very high | 97.9 | Very high | 25 Ų | 25 | 31 Ų | 31 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -102 | -55.6 | -176.3 | -41.4 | -70.2 | 0 | 0 | 0 | 111.6 | M8 F11 K44 T150 L255 | M8-F152 HydrophobicContact CB-CD1 3.99Å; M8-F152 HydrophobicContact CB-CE1 4.19Å; M8-F152 HydrophobicContact SD-CE1 4.14Å; F11-F152 HydrophobicContact CB-CB 4.5Å; F11-F152 HydrophobicContact CB-CD1 3.71Å; F11-F152 HydrophobicContact CB-CD2 3.93Å; F11-F152 HydrophobicContact CB-CE1 3.83Å; F11-F152 HydrophobicContact CB-CE2 4.05Å; F11-F152 HydrophobicContact CB-CG 3.77Å; F11-F152 HydrophobicContact CB-CZ 4.01Å; F11-F152 HydrophobicContact CD1-CB 3.46Å; F11-F152 VanDerWaalsContact CD1-CB 3.46Å; F11-F152 HydrophobicContact CD1-CD1 4.24Å; F11-F152 HydrophobicContact CD1-CD2 4.04Å; F11-F152 AromaticContact CD1-CG 3.65Å; F11-F152 HydrophobicContact CD1-CG 3.65Å; F11-F152 HydrophobicContact CD2-CD2 4.15Å; F11-F152 HydrophobicContact CE1-CB 3.83Å; F11-F152 HydrophobicContact CE1-CG 4.36Å; F11-F152 HydrophobicContact CG-CB 4.09Å; F11-F152 HydrophobicContact CG-CD1 4.2Å; F11-F152 AromaticContact CG-CD2 3.78Å; F11-F152 HydrophobicContact CG-CD2 3.78Å; F11-F152 HydrophobicContact CG-CE2 4.28Å; F11-F152 AromaticContact CG-CG 3.74Å; F11-F152 HydrophobicContact CG-CG 3.74Å; K44-F152 HydrophobicContact CB-CE2 3.67Å; K44-F152 HydrophobicContact CB-CZ 3.71Å; K44-F152 HydrophobicContact CG-CE2 4.37Å; K44-F152 HydrophobicContact CG-CZ 3.9Å; T150-F152 PolarHBondContact O-N 3.23Å; T150-F152 PolarHBondContact OG1-N 3.39Å; F152-L255 HydrophobicContact CB-CD1 4.33Å; F152-L255 WeakPolarHBondContact O-CD1 3.21Å |
| 153 | C | 98.1 | Very high | 97.9 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | trans | -157.5 | 168.2 | -174.7 | 67.8 | 0 | 0 | 0 | 0 | 112.6 | T150 Q178 L255 | T150-C153 PolarHBondContact N-O 2.88Å; T150-C153 PolarHBondContact OG1-N 3.33Å; T150-C153 PolarHBondContact OG1-O 2.89Å; C153-Q178 HydrophobicContact CB-CB 3.92Å; C153-Q178 HydrophobicContact CB-CG 4.46Å; C153-L255 HydrophobicContact CB-CD1 3.88Å; C153-L255 HydrophobicContact CB-CD2 4.08Å | ||
| 154 | R | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 27.2 Ų | 27.2 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.6 | 167.5 | -176.3 | 166.9 | -72.6 | 172.2 | -5 | 111 | D149 K175 C177 Q178 | D149-R154 VanDerWaalsContact OD1-CB 3.29Å; D149-R154 WeakPolarHBondContact OD1-CB 3.5Å; D149-R154 WeakPolarHBondContact OD1-CG 3.47Å; D149-R154 IonicContact OD1-CZ 3.81Å; D149-R154 IonicContact OD1-NE 3.24Å; D149-R154 PolarHBondContact OD1-NE 2.87Å; D149-R154 IonicContact OD1-NH2 2.72Å; D149-R154 PolarHBondContact OD1-NH2 2.97Å; D149-R154 IonicContact OD2-CZ 3.08Å; D149-R154 IonicContact OD2-NE 3.89Å; D149-R154 IonicContact OD2-NH2 3.34Å; D149-R154 PolarHBondContact OD2-NH2 3Å; R154-K175 WeakPolarHBondContact CD-O 3.34Å; R154-K175 PolarHBondContact NH1-O 2.79Å; R154-C177 WeakPolarHBondContact O-CA 3.41Å; R154-Q178 PolarHBondContact O-N 3.46Å |
| 155 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.3 | -178 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | T147 F148 T150 L179 V181 | T147-V155 CarbonylContact C-O 3.59Å; T147-V155 WeakPolarHBondContact CA-O 3.29Å; F148-V155 HydrophobicContact CD1-CB 3.98Å; F148-V155 HydrophobicContact CD1-CG1 4.39Å; F148-V155 HydrophobicContact CE1-CB 3.49Å; F148-V155 VanDerWaalsContact CE1-CB 3.49Å; F148-V155 HydrophobicContact CE1-CG1 3.53Å; F148-V155 HydrophobicContact CE1-CG2 4.28Å; F148-V155 HydrophobicContact CE2-CB 4.13Å; F148-V155 HydrophobicContact CE2-CG2 4.1Å; F148-V155 HydrophobicContact CZ-CB 3.57Å; F148-V155 HydrophobicContact CZ-CG1 3.73Å; F148-V155 HydrophobicContact CZ-CG2 3.84Å; F148-V155 PolarHBondContact N-O 3.07Å; F148-V155 PolarHBondContact O-N 3.43Å; T150-V155 HydrophobicContact CG2-CG2 4.18Å; V155-L179 CarbonylContact C-O 3.57Å; V155-L179 VanDerWaalsContact CA-O 3.3Å; V155-L179 WeakPolarHBondContact CA-O 3.31Å; V155-L179 HydrophobicContact CG1-CB 4.46Å; V155-L179 HydrophobicContact CG1-CD2 4.23Å; V155-L179 HydrophobicContact CG1-CG 4.19Å; V155-L179 HydrophobicContact CG2-CB 4.31Å; V155-L179 HydrophobicContact CG2-CD2 4.17Å; V155-V181 HydrophobicContact CG1-CG1 3.9Å; V155-V181 HydrophobicContact CG1-CG2 3.97Å |
| 156 | G | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L179 L180 V181 | G156-L179 PolarHBondContact N-O 3.02Å; G156-L180 WeakPolarHBondContact O-CA 3.26Å; G156-V181 PolarHBondContact O-N 2.84Å |
| 157 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.9 | -177.1 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | C104 V106 L115 H117 S146 F148 Y172 V181 | C104-V157 HydrophobicContact CB-CG1 4.14Å; V106-V157 HydrophobicContact CG2-CG2 4.48Å; L115-V157 HydrophobicContact CD2-CB 4.34Å; L115-V157 HydrophobicContact CD2-CG2 3.66Å; H117-V157 HydrophobicContact CB-CB 4.26Å; H117-V157 HydrophobicContact CB-CG1 3.95Å; S146-V157 PolarHBondContact O-N 3.11Å; F148-V157 HydrophobicContact CD1-CG2 4.02Å; F148-V157 HydrophobicContact CE1-CG2 3.83Å; V157-Y172 VanDerWaalsContact O-CE2 3.26Å; V157-Y172 WeakPolarHBondContact O-CE2 3.17Å; V157-Y172 VanDerWaalsContact O-CZ 3.26Å; V157-Y172 PolarHBondContact O-OH 3.39Å; V157-V181 HydrophobicContact CB-CG2 4.33Å; V157-V181 HydrophobicContact CG1-CG2 4.33Å; V157-V181 HydrophobicContact CG2-CG2 3.86Å |
| 158 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -132.2 | 165.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V181 Y182 P183 | G158-V181 PolarHBondContact N-O 2.83Å; G158-Y182 VanDerWaalsContact O-CA 3.31Å; G158-Y182 WeakPolarHBondContact O-CA 3.36Å; G158-P183 VanDerWaalsContact O-CD 3.26Å; G158-P183 WeakPolarHBondContact O-CD 3.44Å | ||
| 159 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -120.5 | 121.1 | 175.4 | -63.5 | 161.4 | 0 | 0 | 0 | 109.8 | E50 N102 C104 K119 Y161 D162 P183 | E50-I159 HydrophobicContact CB-CG2 4.45Å; E50-I159 HydrophobicContact CG-CG2 3.91Å; E50-I159 VanDerWaalsContact OE1-CG2 3.25Å; E50-I159 WeakPolarHBondContact OE1-CG2 3.32Å; N102-I159 WeakPolarHBondContact O-CD1 3.25Å; C104-I159 HydrophobicContact CB-CD1 3.85Å; C104-I159 HydrophobicContact CB-CG1 4.22Å; K119-I159 HydrophobicContact CB-CB 4.07Å; K119-I159 HydrophobicContact CB-CD1 4.04Å; K119-I159 HydrophobicContact CB-CG2 4.45Å; K119-I159 HydrophobicContact CD-CB 4.13Å; K119-I159 HydrophobicContact CD-CG2 3.83Å; K119-I159 WeakPolarHBondContact CE-O 3.33Å; K119-I159 HydrophobicContact CG-CB 3.95Å; K119-I159 HydrophobicContact CG-CG2 4.24Å; I159-Y161 PolarHBondContact O-N 3.35Å; I159-D162 PolarHBondContact N-OD2 3.32Å; I159-D162 WeakPolarHBondContact O-CB 3.35Å; I159-D162 PolarHBondContact O-N 2.82Å; I159-P183 CarbonylContact C-O 3.53Å; I159-P183 WeakPolarHBondContact CA-O 3.49Å | ||
| 160 | C | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | 47.7 | -95.1 | 167.8 | -167.8 | 0 | 0 | 0 | 0 | 114.7 | E50 D162 M163 P183 | E50-C160 WeakPolarHBondContact OE1-CB 3.39Å; E50-C160 WeakPolarHBondContact OE2-CB 3.37Å; E50-C160 PolarHBondContact OE2-SG 3.49Å; C160-D162 PolarHBondContact O-N 3.5Å; C160-M163 WeakPolarHBondContact O-CB 3.31Å; C160-M163 PolarHBondContact O-N 3.01Å; C160-P183 PolarHBondContact N-O 3.4Å |
| 161 | Y | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 17% | 0.165 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -64.5 | -25.1 | -177.1 | -156.6 | -120.4 | 0 | 0 | 0 | 113.3 | H121 L122 F123 I125 I159 M163 R164 F165 | H121-Y161 HydrophobicContact CB-CD1 4.07Å; L122-Y161 WeakPolarHBondContact O-CD1 3.49Å; L122-Y161 WeakPolarHBondContact O-CE1 3.36Å; F123-Y161 HydrophobicContact CB-CG 4.34Å; F123-Y161 AromaticContact CD2-CD2 3.32Å; F123-Y161 HydrophobicContact CD2-CD2 3.32Å; F123-Y161 AromaticContact CD2-CE2 3.53Å; F123-Y161 HydrophobicContact CD2-CE2 3.53Å; F123-Y161 AromaticContact CD2-CG 3.9Å; F123-Y161 HydrophobicContact CD2-CG 3.9Å; F123-Y161 AromaticContact CE2-CD2 3.86Å; F123-Y161 HydrophobicContact CE2-CD2 3.86Å; F123-Y161 AromaticContact CE2-CE2 3.84Å; F123-Y161 HydrophobicContact CE2-CE2 3.84Å; F123-Y161 HydrophobicContact CG-CD2 4.36Å; I125-Y161 HydrophobicContact CG2-CE2 3.8Å; I125-Y161 WeakPolarHBondContact CG2-OH 3.33Å; I159-Y161 PolarHBondContact O-N 3.35Å; Y161-M163 PolarHBondContact O-N 2.93Å; Y161-M163 VanDerWaalsContact O-N 3.09Å; Y161-R164 HydrophobicContact CD2-CG 4.23Å; Y161-R164 HydrophobicContact CE2-CG 4.36Å; Y161-R164 VanDerWaalsContact CE2-NE 3.31Å; Y161-R164 WeakPolarHBondContact O-CB 3.42Å; Y161-R164 PolarHBondContact O-N 3.42Å; Y161-F165 AromaticContact CD1-CE2 3.85Å; Y161-F165 HydrophobicContact CD1-CE2 3.85Å; Y161-F165 HydrophobicContact CD1-CZ 4.42Å; Y161-F165 AromaticContact CE1-CE2 3.99Å; Y161-F165 HydrophobicContact CE1-CE2 3.99Å; Y161-F165 HydrophobicContact CE1-CZ 4.16Å; Y161-F165 WeakPolarHBondContact O-CD2 3.38Å; Y161-F165 WeakPolarHBondContact O-CE2 3.38Å |
| 162 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -52.9 | -30.1 | 169.5 | -75.8 | -31.5 | 0 | 0 | 0 | 112.4 | H117 I120 H121 I159 C160 R164 F165 L168 | H117-D162 IonicContact NE2-OD2 2.67Å; H117-D162 PolarHBondContact NE2-OD2 2.76Å; I120-D162 PolarHBondContact N-OD1 3.27Å; I120-D162 PolarHBondContact N-OD2 2.85Å; H121-D162 IonicContact CE1-OD1 3.16Å; H121-D162 IonicContact CG-OD1 2.8Å; H121-D162 PolarHBondContact N-OD1 2.86Å; H121-D162 IonicContact ND1-OD1 2.78Å; H121-D162 PolarHBondContact ND1-OD1 2.9Å; I159-D162 PolarHBondContact N-OD2 3.32Å; I159-D162 WeakPolarHBondContact O-CB 3.35Å; I159-D162 PolarHBondContact O-N 2.82Å; C160-D162 PolarHBondContact O-N 3.5Å; D162-R164 PolarHBondContact O-N 2.91Å; D162-R164 VanDerWaalsContact O-N 3.16Å; D162-F165 PolarHBondContact O-N 3.38Å; D162-F165 VanDerWaalsContact O-N 3.16Å; D162-L168 HydrophobicContact CB-CD2 3.72Å |
| 163 | M | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -63.7 | -20.4 | 178.1 | -165.4 | 171 | 54.3 | 0 | 0 | 112.5 | C160 Y161 F165 Y182 F186 W195 L198 Q199 R202 T212 | C160-M163 WeakPolarHBondContact O-CB 3.31Å; C160-M163 PolarHBondContact O-N 3.01Å; Y161-M163 PolarHBondContact O-N 2.93Å; Y161-M163 VanDerWaalsContact O-N 3.09Å; M163-F165 VanDerWaalsContact C-N 3.3Å; M163-F165 PolarHBondContact O-N 3.13Å; M163-Y182 HydrophobicContact CB-CD1 3.89Å; M163-Y182 HydrophobicContact CB-CE1 4.05Å; M163-Y182 HydrophobicContact CB-CG 4.31Å; M163-Y182 HydrophobicContact CG-CD1 4.34Å; M163-Y182 HydrophobicContact CG-CD2 4.45Å; M163-Y182 HydrophobicContact CG-CE1 4.36Å; M163-Y182 HydrophobicContact CG-CE2 4.47Å; M163-Y182 HydrophobicContact CG-CG 4.39Å; M163-Y182 HydrophobicContact SD-CD2 4.32Å; M163-Y182 HydrophobicContact SD-CG 4.37Å; M163-F186 HydrophobicContact CE-CE1 4.01Å; M163-F186 HydrophobicContact CE-CE2 4.36Å; M163-F186 HydrophobicContact CE-CZ 3.72Å; M163-W195 HydrophobicContact CE-CE3 3.81Å; M163-W195 HydrophobicContact CE-CZ3 4.02Å; M163-L198 HydrophobicContact CE-CB 3.93Å; M163-L198 HydrophobicContact CE-CD1 4.26Å; M163-L198 HydrophobicContact CG-CB 4.08Å; M163-L198 HydrophobicContact SD-CB 4.21Å; M163-Q199 HydrophobicContact SD-CB 4.06Å; M163-R202 HydrophobicContact CG-CG 4.13Å; M163-R202 PolarHBondContact O-NE 2.81Å; M163-R202 PolarHBondContact O-NH2 2.95Å; M163-T212 HydrophobicContact SD-CG2 4Å |
| 164 | R | 98.7 | Very high | 98.4 | Very high | 65 Ų | 65 | 28 Ų | 28 | 25% | 0.245 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -74.4 | -19.1 | 177.6 | -64 | -168.8 | -177.6 | -83.9 | -9.8 | 113.6 | Y161 D162 H194 L198 R202 | Y161-R164 HydrophobicContact CD2-CG 4.23Å; Y161-R164 HydrophobicContact CE2-CG 4.36Å; Y161-R164 VanDerWaalsContact CE2-NE 3.31Å; Y161-R164 WeakPolarHBondContact O-CB 3.42Å; Y161-R164 PolarHBondContact O-N 3.42Å; D162-R164 PolarHBondContact O-N 2.91Å; D162-R164 VanDerWaalsContact O-N 3.16Å; R164-H194 PolarHBondContact NH1-ND1 3.23Å; R164-L198 HydrophobicContact CG-CD1 3.85Å; R164-R202 PolarHBondContact O-NH2 3.11Å; R164-R202 VanDerWaalsContact O-NH2 3.1Å |
| 165 | F | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 27.4 Ų | 27.4 | 29% | 0.294 | 12% | 0.124 | S | C | . | . | trans | -98.4 | 102.9 | -175.7 | -59.3 | -95.8 | 0 | 0 | 0 | 109.5 | H121 Y161 D162 M163 E167 L168 | H121-F165 HydrophobicContact CB-CD2 3.72Å; H121-F165 HydrophobicContact CB-CE2 3.27Å; H121-F165 HydrophobicContact CB-CZ 3.81Å; H121-F165 AromaticContact CD2-CD1 3.48Å; H121-F165 VanDerWaalsContact CD2-CD1 3.48Å; H121-F165 WeakPolarHBondContact CD2-CD1 3.35Å; H121-F165 AromaticContact CD2-CD2 3.53Å; H121-F165 AromaticContact CD2-CE1 3.41Å; H121-F165 VanDerWaalsContact CD2-CE1 3.41Å; H121-F165 WeakPolarHBondContact CD2-CE1 3.17Å; H121-F165 AromaticContact CD2-CE2 3.5Å; H121-F165 VanDerWaalsContact CD2-CE2 3.5Å; H121-F165 WeakPolarHBondContact CD2-CE2 3.3Å; H121-F165 AromaticContact CD2-CG 3.54Å; H121-F165 AromaticContact CD2-CZ 3.42Å; H121-F165 VanDerWaalsContact CD2-CZ 3.42Å; H121-F165 WeakPolarHBondContact CD2-CZ 3.48Å; H121-F165 AromaticContact CE1-CD2 3.89Å; H121-F165 AromaticContact CE1-CG 3.68Å; H121-F165 AromaticContact CG-CD2 3.31Å; H121-F165 AromaticContact CG-CE2 3.3Å; H121-F165 AromaticContact CG-CG 3.77Å; H121-F165 AromaticContact CG-CZ 3.72Å; H121-F165 AromaticContact ND1-CD2 3.55Å; H121-F165 AromaticContact ND1-CG 3.85Å; H121-F165 AromaticContact NE2-CD1 3.51Å; H121-F165 AromaticContact NE2-CD2 3.9Å; H121-F165 AromaticContact NE2-CE1 3.93Å; H121-F165 AromaticContact NE2-CG 3.49Å; H121-F165 WeakPolarHBondContact NE2-CG 3.33Å; Y161-F165 AromaticContact CD1-CE2 3.85Å; Y161-F165 HydrophobicContact CD1-CE2 3.85Å; Y161-F165 HydrophobicContact CD1-CZ 4.42Å; Y161-F165 AromaticContact CE1-CE2 3.99Å; Y161-F165 HydrophobicContact CE1-CE2 3.99Å; Y161-F165 HydrophobicContact CE1-CZ 4.16Å; Y161-F165 WeakPolarHBondContact O-CD2 3.38Å; Y161-F165 WeakPolarHBondContact O-CE2 3.38Å; D162-F165 PolarHBondContact O-N 3.38Å; D162-F165 VanDerWaalsContact O-N 3.16Å; M163-F165 VanDerWaalsContact C-N 3.3Å; M163-F165 PolarHBondContact O-N 3.13Å; F165-E167 PolarHBondContact O-N 3Å; F165-L168 PolarHBondContact O-N 2.85Å | ||
| 166 | A | 98.6 | Very high | 98.3 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66 | -30.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L168 A169 Q170 | A166-L168 PolarHBondContact O-N 3.17Å; A166-A169 PolarHBondContact O-N 3.39Å; A166-A169 VanDerWaalsContact O-N 3.16Å; A166-Q170 WeakPolarHBondContact O-CG 3.24Å; A166-Q170 PolarHBondContact O-N 3.12Å |
| 167 | E | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 29.1 Ų | 29.1 | 50% | 0.5 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.2 | -37.3 | 178.3 | -61.2 | 84.2 | 169.6 | 0 | 0 | 111.3 | F165 A169 Q170 L171 V278 | F165-E167 PolarHBondContact O-N 3Å; E167-A169 PolarHBondContact O-N 3.39Å; E167-Q170 PolarHBondContact O-N 3.22Å; E167-L171 WeakPolarHBondContact O-CB 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.32Å; E167-L171 PolarHBondContact O-N 3.37Å; E167-V278 HydrophobicContact CB-CG1 4.17Å; E167-V278 HydrophobicContact CG-CG1 4.46Å |
| 168 | L | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 178 | -176.4 | 62.1 | 0 | 0 | 0 | 111.4 | I120 L145 D162 F165 A166 L171 Y172 | I120-L168 HydrophobicContact CD1-CD1 3.96Å; L145-L168 HydrophobicContact CD2-CD1 3.42Å; L145-L168 VanDerWaalsContact CD2-CD1 3.42Å; D162-L168 HydrophobicContact CB-CD2 3.72Å; F165-L168 PolarHBondContact O-N 2.85Å; A166-L168 PolarHBondContact O-N 3.17Å; L168-L171 PolarHBondContact O-N 2.88Å; L168-Y172 HydrophobicContact CD1-CD2 4.33Å; L168-Y172 HydrophobicContact CD1-CE1 4.33Å; L168-Y172 HydrophobicContact CD1-CE2 3.66Å; L168-Y172 HydrophobicContact CD2-CE2 4.09Å; L168-Y172 HydrophobicContact CG-CD2 4.08Å; L168-Y172 HydrophobicContact CG-CE2 3.58Å; L168-Y172 WeakPolarHBondContact O-CD2 3.43Å; L168-Y172 PolarHBondContact O-N 2.87Å |
| 169 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A166 E167 Y172 N173 L180 R202 | A166-A169 PolarHBondContact O-N 3.39Å; A166-A169 VanDerWaalsContact O-N 3.16Å; E167-A169 PolarHBondContact O-N 3.39Å; A169-Y172 PolarHBondContact O-N 3.19Å; A169-N173 PolarHBondContact O-N 2.92Å; A169-L180 HydrophobicContact CB-CD1 3.64Å; A169-R202 HydrophobicContact CB-CB 4.46Å; A169-R202 HydrophobicContact CB-CG 4.43Å |
| 170 | Q | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.2 | -68.4 | 166.6 | -6.3 | 0 | 0 | 111.6 | A166 E167 N173 R174 N206 V278 | A166-Q170 WeakPolarHBondContact O-CG 3.24Å; A166-Q170 PolarHBondContact O-N 3.12Å; E167-Q170 PolarHBondContact O-N 3.22Å; Q170-N173 PolarHBondContact O-N 2.89Å; Q170-R174 WeakPolarHBondContact O-CG 3.42Å; Q170-R174 PolarHBondContact O-N 2.97Å; Q170-N206 VanDerWaalsContact CA-OD1 3.31Å; Q170-N206 WeakPolarHBondContact CA-OD1 3.38Å; Q170-N206 WeakPolarHBondContact CG-OD1 3.45Å; Q170-N206 PolarHBondContact N-OD1 3.12Å; Q170-V278 HydrophobicContact CB-CG1 4.24Å; Q170-V278 VanDerWaalsContact OE1-CG2 3.23Å |
| 171 | L | 98.1 | Very high | 98.3 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 13% | 0.131 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 175.1 | -71.3 | 171.2 | 0 | 0 | 0 | 111.7 | L145 E167 L168 R174 K175 V278 A280 | L145-L171 HydrophobicContact CD1-CB 4.38Å; L145-L171 HydrophobicContact CD1-CD1 4.22Å; L145-L171 HydrophobicContact CD2-CD1 4.34Å; E167-L171 WeakPolarHBondContact O-CB 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.32Å; E167-L171 PolarHBondContact O-N 3.37Å; L168-L171 PolarHBondContact O-N 2.88Å; L171-R174 PolarHBondContact O-N 2.58Å; L171-K175 WeakPolarHBondContact O-CG 3.31Å; L171-K175 PolarHBondContact O-N 3.41Å; L171-V278 HydrophobicContact CD2-CG1 4.01Å; L171-V278 HydrophobicContact CG-CG1 3.96Å; L171-A280 HydrophobicContact CD1-CB 4.4Å; L171-A280 HydrophobicContact CD2-CB 4.17Å |
| 172 | Y | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 174.3 | -70.8 | -33.5 | 0 | 0 | 0 | 112.9 | L145 S146 T147 V157 L168 A169 K175 G176 C177 L180 | L145-Y172 HydrophobicContact CB-CE1 4.06Å; L145-Y172 HydrophobicContact CD2-CE1 4.39Å; S146-Y172 PolarHBondContact N-OH 3.01Å; S146-Y172 WeakPolarHBondContact O-CE1 3.33Å; S146-Y172 PolarHBondContact O-OH 3.17Å; T147-Y172 HydrophobicContact CG2-CD1 3.54Å; T147-Y172 HydrophobicContact CG2-CE1 3.78Å; V157-Y172 VanDerWaalsContact O-CE2 3.26Å; V157-Y172 WeakPolarHBondContact O-CE2 3.17Å; V157-Y172 VanDerWaalsContact O-CZ 3.26Å; V157-Y172 PolarHBondContact O-OH 3.39Å; L168-Y172 HydrophobicContact CD1-CD2 4.33Å; L168-Y172 HydrophobicContact CD1-CE1 4.33Å; L168-Y172 HydrophobicContact CD1-CE2 3.66Å; L168-Y172 HydrophobicContact CD2-CE2 4.09Å; L168-Y172 HydrophobicContact CG-CD2 4.08Å; L168-Y172 HydrophobicContact CG-CE2 3.58Å; L168-Y172 WeakPolarHBondContact O-CD2 3.43Å; L168-Y172 PolarHBondContact O-N 2.87Å; A169-Y172 PolarHBondContact O-N 3.19Å; Y172-K175 CarbonylContact O-C 3.57Å; Y172-K175 WeakPolarHBondContact O-CB 3.46Å; Y172-K175 PolarHBondContact O-N 3.41Å; Y172-K175 VanDerWaalsContact O-N 3.14Å; Y172-G176 PolarHBondContact O-N 3.07Å; Y172-C177 VanDerWaalsContact O-CB 3.24Å; Y172-C177 WeakPolarHBondContact O-CB 3.4Å; Y172-C177 PolarHBondContact O-N 3.25Å; Y172-C177 PolarHBondContact O-SG 2.74Å; Y172-L180 HydrophobicContact CD2-CD2 3.98Å; Y172-L180 HydrophobicContact CG-CD2 4.14Å |
| 173 | N | 97.3 | Very high | 98.3 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 172.1 | 176.8 | -95.9 | 0 | 0 | 0 | 112 | A169 Q170 K175 G176 N206 R262 | A169-N173 PolarHBondContact O-N 2.92Å; Q170-N173 PolarHBondContact O-N 2.89Å; N173-K175 PolarHBondContact O-N 3.2Å; N173-G176 WeakPolarHBondContact O-CA 3.31Å; N173-G176 PolarHBondContact O-N 2.9Å; N173-N206 HydrophobicContact CB-CB 4.04Å; N173-N206 PolarHBondContact ND2-O 3.29Å; N173-R262 PolarHBondContact ND2-NH2 3.43Å |
| 174 | R | 95.3 | Very high | 98.3 | Very high | 102 Ų | 102 | 29.5 Ų | 29.5 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.8 | -28.1 | 175.2 | -74.5 | -178.5 | 173.7 | -154.1 | -15 | 112.9 | Q170 L171 G176 D273 V278 | Q170-R174 WeakPolarHBondContact O-CG 3.42Å; Q170-R174 PolarHBondContact O-N 2.97Å; L171-R174 PolarHBondContact O-N 2.58Å; R174-G176 PolarHBondContact O-N 3.24Å; R174-D273 IonicContact CZ-OD1 3.5Å; R174-D273 IonicContact NH2-OD1 2.83Å; R174-D273 PolarHBondContact NH2-OD1 2.71Å; R174-D273 IonicContact NH2-OD2 3.85Å; R174-V278 PolarHBondContact NH1-O 3.36Å |
| 175 | K | 96.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 26.5 Ų | 26.5 | 33% | 0.326 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 2.5 | 172.3 | -74.5 | 176.5 | 173.7 | -75.4 | 0 | 114 | T147 R154 L171 Y172 N173 | T147-K175 HydrophobicContact CG2-CD 4.25Å; R154-K175 WeakPolarHBondContact CD-O 3.34Å; R154-K175 PolarHBondContact NH1-O 2.79Å; L171-K175 WeakPolarHBondContact O-CG 3.31Å; L171-K175 PolarHBondContact O-N 3.41Å; Y172-K175 CarbonylContact O-C 3.57Å; Y172-K175 WeakPolarHBondContact O-CB 3.46Å; Y172-K175 PolarHBondContact O-N 3.41Å; Y172-K175 VanDerWaalsContact O-N 3.14Å; N173-K175 PolarHBondContact O-N 3.2Å |
| 176 | G | 97.5 | Very high | 98.2 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 39% | 0.392 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 13.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y172 N173 R174 Q178 | Y172-G176 PolarHBondContact O-N 3.07Å; N173-G176 WeakPolarHBondContact O-CA 3.31Å; N173-G176 PolarHBondContact O-N 2.9Å; R174-G176 PolarHBondContact O-N 3.24Å; G176-Q178 PolarHBondContact O-N 3.32Å |
| 177 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -63 | 137.1 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | T147 R154 Y172 L180 T208 R262 | T147-C177 VanDerWaalsContact CG2-SG 3.54Å; R154-C177 WeakPolarHBondContact O-CA 3.41Å; Y172-C177 VanDerWaalsContact O-CB 3.24Å; Y172-C177 WeakPolarHBondContact O-CB 3.4Å; Y172-C177 PolarHBondContact O-N 3.25Å; Y172-C177 PolarHBondContact O-SG 2.74Å; C177-L180 HydrophobicContact CB-CD2 3.85Å; C177-T208 VanDerWaalsContact O-CG2 3.32Å; C177-T208 WeakPolarHBondContact O-CG2 3.33Å; C177-R262 PolarHBondContact O-NH2 3.19Å | ||
| 178 | Q | 98.8 | Very high | 98 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 23% | 0.234 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -111.7 | -19.2 | 175.3 | -69.1 | 176.1 | -29.3 | 0 | 0 | 111.7 | C153 R154 G176 Y209 L255 L258 | C153-Q178 HydrophobicContact CB-CB 3.92Å; C153-Q178 HydrophobicContact CB-CG 4.46Å; R154-Q178 PolarHBondContact O-N 3.46Å; G176-Q178 PolarHBondContact O-N 3.32Å; Q178-Y209 PolarHBondContact O-N 2.66Å; Q178-L255 HydrophobicContact CB-CD2 4.12Å; Q178-L258 HydrophobicContact CB-CD1 3.76Å; Q178-L258 HydrophobicContact CG-CD1 4.15Å; Q178-L258 HydrophobicContact CG-CD2 4.16Å; Q178-L258 WeakPolarHBondContact O-CD1 3.38Å |
| 179 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.4 | 171.4 | 173.3 | 64.3 | 0 | 0 | 0 | 109.1 | F11 L13 V155 G156 V181 Y209 A211 | F11-L179 HydrophobicContact CZ-CD2 4.2Å; L13-L179 HydrophobicContact CD2-CD1 4.44Å; L13-L179 HydrophobicContact CD2-CD2 4.4Å; V155-L179 CarbonylContact C-O 3.57Å; V155-L179 VanDerWaalsContact CA-O 3.3Å; V155-L179 WeakPolarHBondContact CA-O 3.31Å; V155-L179 HydrophobicContact CG1-CB 4.46Å; V155-L179 HydrophobicContact CG1-CD2 4.23Å; V155-L179 HydrophobicContact CG1-CG 4.19Å; V155-L179 HydrophobicContact CG2-CB 4.31Å; V155-L179 HydrophobicContact CG2-CD2 4.17Å; G156-L179 PolarHBondContact N-O 3.02Å; L179-V181 HydrophobicContact CD1-CG1 4.32Å; L179-V181 HydrophobicContact CD2-CG1 3.95Å; L179-V181 HydrophobicContact CG-CG1 3.92Å; L179-Y209 CarbonylContact C-O 3.54Å; L179-Y209 WeakPolarHBondContact CA-O 3.42Å; L179-A211 HydrophobicContact CD1-CB 4.24Å |
| 180 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.5 | 166.9 | -52.8 | 179.6 | 0 | 0 | 0 | 108.6 | G156 A169 Y172 C177 Y182 Y209 V210 A211 | G156-L180 WeakPolarHBondContact O-CA 3.26Å; A169-L180 HydrophobicContact CB-CD1 3.64Å; Y172-L180 HydrophobicContact CD2-CD2 3.98Å; Y172-L180 HydrophobicContact CG-CD2 4.14Å; C177-L180 HydrophobicContact CB-CD2 3.85Å; L180-Y182 HydrophobicContact CB-CE2 3.73Å; L180-Y209 PolarHBondContact N-O 3.21Å; L180-V210 HydrophobicContact CB-CG2 4.27Å; L180-V210 HydrophobicContact CD1-CG2 4.45Å; L180-V210 CarbonylContact O-C 3.57Å; L180-V210 VanDerWaalsContact O-CA 3.31Å; L180-V210 WeakPolarHBondContact O-CA 3.38Å; L180-A211 PolarHBondContact O-N 2.86Å |
| 181 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.7 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | L47 V88 V155 G156 V157 G158 L179 A211 | L47-V181 HydrophobicContact CD1-CB 3.92Å; L47-V181 HydrophobicContact CD1-CG1 4.46Å; L47-V181 HydrophobicContact CD1-CG2 4.25Å; L47-V181 HydrophobicContact CD2-CB 3.98Å; L47-V181 HydrophobicContact CD2-CG1 4.21Å; V88-V181 HydrophobicContact CG1-CG2 4.02Å; V88-V181 HydrophobicContact CG2-CG2 4.41Å; V155-V181 HydrophobicContact CG1-CG1 3.9Å; V155-V181 HydrophobicContact CG1-CG2 3.97Å; G156-V181 PolarHBondContact O-N 2.84Å; V157-V181 HydrophobicContact CB-CG2 4.33Å; V157-V181 HydrophobicContact CG1-CG2 4.33Å; V157-V181 HydrophobicContact CG2-CG2 3.86Å; G158-V181 PolarHBondContact N-O 2.83Å; L179-V181 HydrophobicContact CD1-CG1 4.32Å; L179-V181 HydrophobicContact CD2-CG1 3.95Å; L179-V181 HydrophobicContact CG-CG1 3.92Å; V181-A211 CarbonylContact C-O 3.55Å; V181-A211 WeakPolarHBondContact CA-O 3.49Å; V181-A211 HydrophobicContact CG1-CB 4.36Å |
| 182 | Y | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 93.2 | 176.5 | -56.4 | -93.1 | 0 | 0 | 0 | 110.8 | G158 M163 L180 G184 V210 A211 T212 A213 | G158-Y182 VanDerWaalsContact O-CA 3.31Å; G158-Y182 WeakPolarHBondContact O-CA 3.36Å; M163-Y182 HydrophobicContact CB-CD1 3.89Å; M163-Y182 HydrophobicContact CB-CE1 4.05Å; M163-Y182 HydrophobicContact CB-CG 4.31Å; M163-Y182 HydrophobicContact CG-CD1 4.34Å; M163-Y182 HydrophobicContact CG-CD2 4.45Å; M163-Y182 HydrophobicContact CG-CE1 4.36Å; M163-Y182 HydrophobicContact CG-CE2 4.47Å; M163-Y182 HydrophobicContact CG-CG 4.39Å; M163-Y182 HydrophobicContact SD-CD2 4.32Å; M163-Y182 HydrophobicContact SD-CG 4.37Å; L180-Y182 HydrophobicContact CB-CE2 3.73Å; Y182-G184 PolarHBondContact O-N 3.05Å; Y182-V210 HydrophobicContact CD2-CG1 3.95Å; Y182-V210 HydrophobicContact CE2-CG1 4.02Å; Y182-A211 PolarHBondContact N-O 2.89Å; Y182-T212 VanDerWaalsContact O-CA 3.27Å; Y182-T212 WeakPolarHBondContact O-CA 3.39Å; Y182-A213 PolarHBondContact O-N 3.4Å |
| 183 | P | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 127.5 | 156.7 | -18.8 | 31.9 | 0 | 0 | 0 | 108.4 | L47 E50 G158 I159 C160 A213 | L47-P183 HydrophobicContact CD1-CG 3.91Å; E50-P183 HydrophobicContact CB-CB 4.29Å; G158-P183 VanDerWaalsContact O-CD 3.26Å; G158-P183 WeakPolarHBondContact O-CD 3.44Å; I159-P183 CarbonylContact C-O 3.53Å; I159-P183 WeakPolarHBondContact CA-O 3.49Å; C160-P183 PolarHBondContact N-O 3.4Å; P183-A213 CarbonylContact C-O 3.57Å; P183-A213 WeakPolarHBondContact CA-O 3.41Å |
| 184 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -168.7 | 142.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E50 Y182 W195 A213 S214 | E50-G184 WeakPolarHBondContact OE2-CA 3.44Å; Y182-G184 PolarHBondContact O-N 3.05Å; G184-W195 WeakPolarHBondContact O-CH2 3.43Å; G184-A213 PolarHBondContact N-O 3.25Å; G184-S214 WeakPolarHBondContact O-CA 3.07Å; G184-S214 VanDerWaalsContact O-CB 3.28Å; G184-S214 WeakPolarHBondContact O-CB 3.25Å; G184-S214 PolarHBondContact O-OG 3.31Å | ||
| 185 | A | 97.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | trans | -112.5 | 92.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E50 P215 Y223 A225 | E50-A185 PolarHBondContact OE2-N 2.87Å; A185-P215 HydrophobicContact CB-CG 4.06Å; A185-Y223 HydrophobicContact CB-CD1 4.44Å; A185-Y223 HydrophobicContact CB-CE1 3.82Å; A185-Y223 WeakPolarHBondContact O-CE1 3.29Å; A185-Y223 VanDerWaalsContact O-CZ 3.29Å; A185-Y223 PolarHBondContact O-OH 3.28Å; A185-A225 HydrophobicContact CB-CB 4.39Å | ||
| 186 | F | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | trans | -75.9 | 155.5 | 166 | -85.3 | 37.9 | 0 | 0 | 0 | 109.5 | M163 H194 W195 L198 A225 W226 | M163-F186 HydrophobicContact CE-CE1 4.01Å; M163-F186 HydrophobicContact CE-CE2 4.36Å; M163-F186 HydrophobicContact CE-CZ 3.72Å; F186-H194 HydrophobicContact CE2-CB 4.02Å; F186-W195 HydrophobicContact CB-CD2 4.49Å; F186-W195 HydrophobicContact CB-CE3 3.77Å; F186-W195 HydrophobicContact CB-CZ3 4.26Å; F186-W195 AromaticContact CD1-CE3 3.43Å; F186-W195 HydrophobicContact CD1-CE3 3.43Å; F186-W195 VanDerWaalsContact CD1-CE3 3.43Å; F186-W195 AromaticContact CD1-CZ3 3.48Å; F186-W195 HydrophobicContact CD1-CZ3 3.48Å; F186-W195 VanDerWaalsContact CD1-CZ3 3.48Å; F186-W195 HydrophobicContact CD2-CB 4.11Å; F186-W195 AromaticContact CD2-CE3 3.79Å; F186-W195 HydrophobicContact CD2-CE3 3.79Å; F186-W195 AromaticContact CE1-CE3 3.87Å; F186-W195 HydrophobicContact CE1-CE3 3.87Å; F186-W195 AromaticContact CE1-CZ3 3.9Å; F186-W195 HydrophobicContact CE1-CZ3 3.9Å; F186-W195 HydrophobicContact CE2-CE3 4.19Å; F186-W195 HydrophobicContact CG-CD2 4.39Å; F186-W195 AromaticContact CG-CE3 3.39Å; F186-W195 HydrophobicContact CG-CE3 3.39Å; F186-W195 AromaticContact CG-CZ3 3.91Å; F186-W195 HydrophobicContact CG-CZ3 3.91Å; F186-W195 HydrophobicContact CZ-CE3 4.23Å; F186-L198 HydrophobicContact CE2-CD1 3.77Å; F186-L198 HydrophobicContact CZ-CD1 3.74Å; F186-A225 CarbonylContact O-C 3.54Å; F186-A225 WeakPolarHBondContact O-CA 3.33Å; F186-W226 HydrophobicContact CB-CB 4.36Å; F186-W226 VanDerWaalsContact O-CB 3.31Å; F186-W226 WeakPolarHBondContact O-CB 3.48Å; F186-W226 PolarHBondContact O-N 3.16Å | ||
| 187 | N | 96.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -98.3 | 176.1 | -179.1 | 57.2 | 53.9 | 0 | 0 | 0 | 112.7 | T189 T190 G191 Y223 V224 | N187-T189 PolarHBondContact O-N 3.14Å; N187-T189 VanDerWaalsContact O-N 3.07Å; N187-T189 WeakPolarHBondContact OD1-CB 3.12Å; N187-T189 PolarHBondContact OD1-N 3.02Å; N187-T190 VanDerWaalsContact CG-OG1 3.23Å; N187-T190 PolarHBondContact N-OG1 3.36Å; N187-T190 PolarHBondContact ND2-OG1 3Å; N187-T190 PolarHBondContact O-N 3.02Å; N187-T190 PolarHBondContact OD1-N 3.14Å; N187-T190 PolarHBondContact OD1-OG1 3.29Å; N187-G191 WeakPolarHBondContact O-CA 3.45Å; N187-G191 PolarHBondContact O-N 3.36Å; N187-Y223 HydrophobicContact CB-CE1 4.37Å; N187-Y223 HydrophobicContact CB-CE2 3.94Å; N187-Y223 PolarHBondContact N-OH 3.02Å; N187-Y223 PolarHBondContact ND2-OH 3.47Å; N187-V224 WeakPolarHBondContact CA-O 3.39Å |
| 188 | M | 96.7 | Very high | 97.9 | Very high | 81 Ų | 81 | 29.6 Ų | 29.6 | 40% | 0.399 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.6 | -180 | -64.3 | -57.3 | -68 | 0 | 0 | 115.6 | P192 R217 V224 W226 | M188-P192 WeakPolarHBondContact O-CD 3.17Å; M188-P192 WeakPolarHBondContact O-CG 3.38Å; M188-R217 VanDerWaalsContact SD-CZ 3.52Å; M188-R217 PolarHBondContact SD-NE 3Å; M188-R217 VanDerWaalsContact SD-NE 3.41Å; M188-V224 HydrophobicContact CG-CB 4.14Å; M188-V224 HydrophobicContact CG-CG1 3.72Å; M188-V224 HydrophobicContact SD-CG1 4.26Å; M188-W226 HydrophobicContact CE-CE3 4.21Å; M188-W226 HydrophobicContact CE-CZ3 4.05Å; M188-W226 HydrophobicContact SD-CE3 3.77Å; M188-W226 HydrophobicContact SD-CZ3 4.24Å |
| 189 | T | 94.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 27.2 Ų | 27.2 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -49.1 | 173.1 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | K130 N187 | K130-T189 HydrophobicContact CB-CG2 4.27Å; K130-T189 HydrophobicContact CD-CG2 3.61Å; N187-T189 PolarHBondContact O-N 3.14Å; N187-T189 VanDerWaalsContact O-N 3.07Å; N187-T189 WeakPolarHBondContact OD1-CB 3.12Å; N187-T189 PolarHBondContact OD1-N 3.02Å |
| 190 | T | 95.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -84.9 | -26.1 | -172.8 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | I125 N187 H194 | I125-T190 HydrophobicContact CD1-CG2 4.48Å; N187-T190 VanDerWaalsContact CG-OG1 3.23Å; N187-T190 PolarHBondContact N-OG1 3.36Å; N187-T190 PolarHBondContact ND2-OG1 3Å; N187-T190 PolarHBondContact O-N 3.02Å; N187-T190 PolarHBondContact OD1-N 3.14Å; N187-T190 PolarHBondContact OD1-OG1 3.29Å; T190-H194 WeakPolarHBondContact O-CA 3.03Å; T190-H194 VanDerWaalsContact O-CB 3.3Å; T190-H194 WeakPolarHBondContact O-CB 3.41Å; T190-H194 PolarHBondContact O-N 3.29Å |
| 191 | G | 97.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -59.2 | -63 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N187 A193 H194 W195 | N187-G191 WeakPolarHBondContact O-CA 3.45Å; N187-G191 PolarHBondContact O-N 3.36Å; G191-A193 PolarHBondContact O-N 2.84Å; G191-H194 PolarHBondContact O-N 3.18Å; G191-W195 WeakPolarHBondContact O-CB 3.44Å; G191-W195 PolarHBondContact O-N 3.41Å |
| 192 | P | 97.2 | Very high | 97.9 | Very high | 80 Ų | 80 | 34.9 Ų | 34.9 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -56.9 | -35.2 | 179.4 | -23.4 | 31.3 | 0 | 0 | 0 | 113.7 | M188 W226 | M188-P192 WeakPolarHBondContact O-CD 3.17Å; M188-P192 WeakPolarHBondContact O-CG 3.38Å; P192-W226 HydrophobicContact CB-CH2 4.34Å; P192-W226 HydrophobicContact CG-CD2 4.44Å; P192-W226 HydrophobicContact CG-CE3 3.94Å; P192-W226 HydrophobicContact CG-CH2 3.77Å; P192-W226 HydrophobicContact CG-CZ2 4.24Å; P192-W226 HydrophobicContact CG-CZ3 3.6Å |
| 193 | A | 97.2 | Very high | 97.9 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -82.7 | -38.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G191 | G191-A193 PolarHBondContact O-N 2.84Å |
| 194 | H | 98.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -127.9 | -23.2 | -162.9 | -55.3 | 142 | 0 | 0 | 0 | 114.7 | R164 F186 T190 G191 E196 L197 L198 | R164-H194 PolarHBondContact NH1-ND1 3.23Å; F186-H194 HydrophobicContact CE2-CB 4.02Å; T190-H194 WeakPolarHBondContact O-CA 3.03Å; T190-H194 VanDerWaalsContact O-CB 3.3Å; T190-H194 WeakPolarHBondContact O-CB 3.41Å; T190-H194 PolarHBondContact O-N 3.29Å; G191-H194 PolarHBondContact O-N 3.18Å; H194-E196 PolarHBondContact O-N 2.95Å; H194-L197 PolarHBondContact O-N 3.13Å; H194-L198 HydrophobicContact CB-CD1 3.94Å; H194-L198 HydrophobicContact CB-CG 4.31Å; H194-L198 VanDerWaalsContact O-CB 3.32Å; H194-L198 WeakPolarHBondContact O-CB 3.26Å; H194-L198 VanDerWaalsContact O-CG 3.24Å; H194-L198 WeakPolarHBondContact O-CG 2.95Å; H194-L198 PolarHBondContact O-N 3.19Å |
| 195 | W | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -59.9 | -52.4 | -170.3 | 179.2 | -107.2 | 0 | 0 | 0 | 112.5 | M163 G184 F186 G191 Q199 T212 W226 H228 | M163-W195 HydrophobicContact CE-CE3 3.81Å; M163-W195 HydrophobicContact CE-CZ3 4.02Å; G184-W195 WeakPolarHBondContact O-CH2 3.43Å; F186-W195 HydrophobicContact CB-CD2 4.49Å; F186-W195 HydrophobicContact CB-CE3 3.77Å; F186-W195 HydrophobicContact CB-CZ3 4.26Å; F186-W195 AromaticContact CD1-CE3 3.43Å; F186-W195 HydrophobicContact CD1-CE3 3.43Å; F186-W195 VanDerWaalsContact CD1-CE3 3.43Å; F186-W195 AromaticContact CD1-CZ3 3.48Å; F186-W195 HydrophobicContact CD1-CZ3 3.48Å; F186-W195 VanDerWaalsContact CD1-CZ3 3.48Å; F186-W195 HydrophobicContact CD2-CB 4.11Å; F186-W195 AromaticContact CD2-CE3 3.79Å; F186-W195 HydrophobicContact CD2-CE3 3.79Å; F186-W195 AromaticContact CE1-CE3 3.87Å; F186-W195 HydrophobicContact CE1-CE3 3.87Å; F186-W195 AromaticContact CE1-CZ3 3.9Å; F186-W195 HydrophobicContact CE1-CZ3 3.9Å; F186-W195 HydrophobicContact CE2-CE3 4.19Å; F186-W195 HydrophobicContact CG-CD2 4.39Å; F186-W195 AromaticContact CG-CE3 3.39Å; F186-W195 HydrophobicContact CG-CE3 3.39Å; F186-W195 AromaticContact CG-CZ3 3.91Å; F186-W195 HydrophobicContact CG-CZ3 3.91Å; F186-W195 HydrophobicContact CZ-CE3 4.23Å; G191-W195 WeakPolarHBondContact O-CB 3.44Å; G191-W195 PolarHBondContact O-N 3.41Å; W195-Q199 VanDerWaalsContact CD1-NE2 3.29Å; W195-Q199 VanDerWaalsContact O-CG 3.27Å; W195-Q199 WeakPolarHBondContact O-CG 3.49Å; W195-Q199 PolarHBondContact O-NE2 3.09Å; W195-T212 HydrophobicContact CH2-CG2 4.3Å; W195-T212 HydrophobicContact CZ2-CG2 4.17Å; W195-T212 VanDerWaalsContact CZ2-OG1 3.3Å; W195-T212 WeakPolarHBondContact CZ2-OG1 3.42Å; W195-W226 AromaticContact CD1-CD1 3.84Å; W195-W226 AromaticContact CD1-NE1 3.98Å; W195-W226 AromaticContact CG-CD1 3.85Å; W195-H228 PolarHBondContact NE1-O 2.93Å |
| 196 | E | 98.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.9 | -36.8 | 179.6 | -165.5 | 178.4 | 112.4 | 0 | 0 | 112.3 | H194 Q199 R200 V238 K241 | H194-E196 PolarHBondContact O-N 2.95Å; E196-Q199 WeakPolarHBondContact O-CG 3.43Å; E196-R200 HydrophobicContact CG-CG 4.34Å; E196-R200 WeakPolarHBondContact O-CB 3.48Å; E196-R200 VanDerWaalsContact O-CG 3.24Å; E196-R200 WeakPolarHBondContact O-CG 3.47Å; E196-R200 PolarHBondContact O-N 2.99Å; E196-R200 VanDerWaalsContact O-N 3.15Å; E196-V238 HydrophobicContact CG-CG2 4.09Å; E196-K241 IonicContact OE2-NZ 3.86Å; E196-K241 PolarHBondContact OE2-NZ 2.64Å |
| 197 | L | 98.8 | Very high | 98 | Very high | 115 Ų | 115 | 42.7 Ų | 42.7 | 60% | 0.602 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -60.5 | -49.8 | 178.5 | 174.9 | 61.2 | 0 | 0 | 0 | 111.7 | H194 R200 A201 | H194-L197 PolarHBondContact O-N 3.13Å; L197-R200 PolarHBondContact O-N 3.44Å; L197-A201 WeakPolarHBondContact O-CB 3.18Å; L197-A201 PolarHBondContact O-N 2.83Å |
| 198 | L | 98.9 | Very high | 98.1 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | -175.5 | -73.1 | 170.7 | 0 | 0 | 0 | 111.5 | M163 R164 F186 H194 R200 A201 R202 | M163-L198 HydrophobicContact CE-CB 3.93Å; M163-L198 HydrophobicContact CE-CD1 4.26Å; M163-L198 HydrophobicContact CG-CB 4.08Å; M163-L198 HydrophobicContact SD-CB 4.21Å; R164-L198 HydrophobicContact CG-CD1 3.85Å; F186-L198 HydrophobicContact CE2-CD1 3.77Å; F186-L198 HydrophobicContact CZ-CD1 3.74Å; H194-L198 HydrophobicContact CB-CD1 3.94Å; H194-L198 HydrophobicContact CB-CG 4.31Å; H194-L198 VanDerWaalsContact O-CB 3.32Å; H194-L198 WeakPolarHBondContact O-CB 3.26Å; H194-L198 VanDerWaalsContact O-CG 3.24Å; H194-L198 WeakPolarHBondContact O-CG 2.95Å; H194-L198 PolarHBondContact O-N 3.19Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.73Å; L198-A201 PolarHBondContact O-N 3.45Å; L198-R202 VanDerWaalsContact O-CG 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.15Å; L198-R202 PolarHBondContact O-N 2.67Å |
| 199 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 178.9 | 60 | -176.3 | -83.8 | 0 | 0 | 112.4 | M163 W195 E196 R202 A203 V210 T212 V232 | M163-Q199 HydrophobicContact SD-CB 4.06Å; W195-Q199 VanDerWaalsContact CD1-NE2 3.29Å; W195-Q199 VanDerWaalsContact O-CG 3.27Å; W195-Q199 WeakPolarHBondContact O-CG 3.49Å; W195-Q199 PolarHBondContact O-NE2 3.09Å; E196-Q199 WeakPolarHBondContact O-CG 3.43Å; Q199-R202 PolarHBondContact O-N 3.02Å; Q199-A203 WeakPolarHBondContact O-CB 3.12Å; Q199-A203 PolarHBondContact O-N 3.39Å; Q199-V210 HydrophobicContact CB-CG1 3.96Å; Q199-T212 HydrophobicContact CB-CG2 4.18Å; Q199-V232 HydrophobicContact CB-CG2 4.16Å; Q199-V232 HydrophobicContact CG-CG2 3.82Å |
| 200 | R | 98.9 | Very high | 98.4 | Very high | 117 Ų | 117 | 36.4 Ų | 36.4 | 44% | 0.442 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.7 | -70.8 | 178 | 67.3 | -159.1 | -5.2 | 111.5 | E196 L197 L198 A203 L204 V232 G236 V238 | E196-R200 HydrophobicContact CG-CG 4.34Å; E196-R200 WeakPolarHBondContact O-CB 3.48Å; E196-R200 VanDerWaalsContact O-CG 3.24Å; E196-R200 WeakPolarHBondContact O-CG 3.47Å; E196-R200 PolarHBondContact O-N 2.99Å; E196-R200 VanDerWaalsContact O-N 3.15Å; L197-R200 PolarHBondContact O-N 3.44Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.73Å; R200-A203 PolarHBondContact O-N 3.14Å; R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.43Å; R200-L204 PolarHBondContact O-N 3.31Å; R200-V232 HydrophobicContact CG-CG1 4.01Å; R200-V232 HydrophobicContact CG-CG2 4.23Å; R200-G236 PolarHBondContact NE-O 3.28Å; R200-V238 HydrophobicContact CG-CG2 4.36Å |
| 201 | A | 98.9 | Very high | 98.6 | Very high | 27 Ų | 27 | 36 Ų | 36 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L197 L198 A203 D205 | L197-A201 WeakPolarHBondContact O-CB 3.18Å; L197-A201 PolarHBondContact O-N 2.83Å; L198-A201 PolarHBondContact O-N 3.45Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 3.34Å; A201-D205 VanDerWaalsContact O-CB 3.28Å; A201-D205 WeakPolarHBondContact O-CB 3.33Å; A201-D205 PolarHBondContact O-N 3.26Å |
| 202 | R | 98.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.5 | -61.8 | -58.8 | 161.3 | -89.6 | 1.4 | 111.9 | M163 R164 A169 L198 Q199 N206 V210 | M163-R202 HydrophobicContact CG-CG 4.13Å; M163-R202 PolarHBondContact O-NE 2.81Å; M163-R202 PolarHBondContact O-NH2 2.95Å; R164-R202 PolarHBondContact O-NH2 3.11Å; R164-R202 VanDerWaalsContact O-NH2 3.1Å; A169-R202 HydrophobicContact CB-CB 4.46Å; A169-R202 HydrophobicContact CB-CG 4.43Å; L198-R202 VanDerWaalsContact O-CG 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.15Å; L198-R202 PolarHBondContact O-N 2.67Å; Q199-R202 PolarHBondContact O-N 3.02Å; R202-N206 WeakPolarHBondContact O-CB 3.5Å; R202-N206 PolarHBondContact O-ND2 3.17Å; R202-V210 HydrophobicContact CB-CG2 3.95Å |
| 203 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.4 | -50.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q199 R200 A201 Q207 T208 V210 V232 N233 | Q199-A203 WeakPolarHBondContact O-CB 3.12Å; Q199-A203 PolarHBondContact O-N 3.39Å; R200-A203 PolarHBondContact O-N 3.14Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 3.34Å; A203-Q207 VanDerWaalsContact O-CA 3.26Å; A203-Q207 WeakPolarHBondContact O-CA 3.48Å; A203-Q207 PolarHBondContact O-N 2.68Å; A203-T208 VanDerWaalsContact CA-O 3.29Å; A203-T208 WeakPolarHBondContact CA-O 3.45Å; A203-T208 WeakPolarHBondContact CB-O 3.31Å; A203-T208 PolarHBondContact O-N 2.87Å; A203-T208 VanDerWaalsContact O-N 3.08Å; A203-V210 HydrophobicContact CB-CB 4.13Å; A203-V210 HydrophobicContact CB-CG2 3.63Å; A203-V232 HydrophobicContact CB-CB 3.98Å; A203-V232 HydrophobicContact CB-CG1 3.65Å; A203-N233 WeakPolarHBondContact CB-O 3.33Å |
| 204 | L | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 29.5 Ų | 29.5 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.7 | -53.5 | -176.2 | 179.5 | 65 | 0 | 0 | 0 | 112.2 | R200 N206 Q207 | R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.43Å; R200-L204 PolarHBondContact O-N 3.31Å; L204-N206 PolarHBondContact O-N 2.76Å; L204-N206 VanDerWaalsContact O-N 3.09Å; L204-Q207 PolarHBondContact O-N 2.82Å; L204-Q207 VanDerWaalsContact O-N 3.17Å |
| 205 | D | 98.6 | Very high | 98.8 | Very high | 79 Ų | 79 | 26.8 Ų | 26.8 | 42% | 0.422 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.5 | -18.4 | -173.4 | -67.5 | -14.3 | 0 | 0 | 0 | 113 | A201 I267 | A201-D205 VanDerWaalsContact O-CB 3.28Å; A201-D205 WeakPolarHBondContact O-CB 3.33Å; A201-D205 PolarHBondContact O-N 3.26Å; D205-I267 WeakPolarHBondContact O-CD1 3.48Å |
| 206 | N | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -114.9 | -2.6 | -179.5 | -57.4 | -74 | 0 | 0 | 0 | 112.9 | Q170 N173 R202 L204 T208 | Q170-N206 VanDerWaalsContact CA-OD1 3.31Å; Q170-N206 WeakPolarHBondContact CA-OD1 3.38Å; Q170-N206 WeakPolarHBondContact CG-OD1 3.45Å; Q170-N206 PolarHBondContact N-OD1 3.12Å; N173-N206 HydrophobicContact CB-CB 4.04Å; N173-N206 PolarHBondContact ND2-O 3.29Å; R202-N206 WeakPolarHBondContact O-CB 3.5Å; R202-N206 PolarHBondContact O-ND2 3.17Å; L204-N206 PolarHBondContact O-N 2.76Å; L204-N206 VanDerWaalsContact O-N 3.09Å; N206-T208 VanDerWaalsContact C-N 3.31Å; N206-T208 HydrophobicContact CB-CG2 4.22Å; N206-T208 WeakPolarHBondContact O-CG2 3.25Å; N206-T208 PolarHBondContact O-N 3.19Å |
| 207 | Q | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 57.6 | -174.3 | -61.9 | -179.2 | -52.9 | 0 | 0 | 111.9 | A203 L204 V261 R262 I265 I267 | A203-Q207 VanDerWaalsContact O-CA 3.26Å; A203-Q207 WeakPolarHBondContact O-CA 3.48Å; A203-Q207 PolarHBondContact O-N 2.68Å; L204-Q207 PolarHBondContact O-N 2.82Å; L204-Q207 VanDerWaalsContact O-N 3.17Å; Q207-V261 HydrophobicContact CB-CG1 4.42Å; Q207-V261 HydrophobicContact CG-CG1 4.14Å; Q207-V261 PolarHBondContact NE2-O 3.38Å; Q207-R262 HydrophobicContact CB-CG 3.77Å; Q207-R262 HydrophobicContact CG-CG 4.49Å; Q207-R262 PolarHBondContact O-NE 2.85Å; Q207-R262 PolarHBondContact O-NH2 3.22Å; Q207-I265 PolarHBondContact NE2-O 2.91Å; Q207-I265 PolarHBondContact OE1-O 3.28Å; Q207-I267 HydrophobicContact CG-CD1 3.88Å; Q207-I267 HydrophobicContact CG-CG1 4.28Å |
| 208 | T | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -131.7 | 151.9 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | C177 A203 N206 | C177-T208 VanDerWaalsContact O-CG2 3.32Å; C177-T208 WeakPolarHBondContact O-CG2 3.33Å; A203-T208 VanDerWaalsContact CA-O 3.29Å; A203-T208 WeakPolarHBondContact CA-O 3.45Å; A203-T208 WeakPolarHBondContact CB-O 3.31Å; A203-T208 PolarHBondContact O-N 2.87Å; A203-T208 VanDerWaalsContact O-N 3.08Å; N206-T208 VanDerWaalsContact C-N 3.31Å; N206-T208 HydrophobicContact CB-CG2 4.22Å; N206-T208 WeakPolarHBondContact O-CG2 3.25Å; N206-T208 PolarHBondContact O-N 3.19Å | ||
| 209 | Y | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 146.6 | 161.4 | -72.3 | -90.5 | 0 | 0 | 0 | 109.7 | Q178 L179 L180 V232 N233 P234 I239 I253 D254 L258 | Q178-Y209 PolarHBondContact O-N 2.66Å; L179-Y209 CarbonylContact C-O 3.54Å; L179-Y209 WeakPolarHBondContact CA-O 3.42Å; L180-Y209 PolarHBondContact N-O 3.21Å; Y209-V232 WeakPolarHBondContact CA-O 3.37Å; Y209-N233 HydrophobicContact CD1-CB 4.2Å; Y209-N233 HydrophobicContact CE1-CB 3.78Å; Y209-P234 HydrophobicContact CD2-CG 3.82Å; Y209-P234 HydrophobicContact CE2-CG 3.77Å; Y209-P234 HydrophobicContact CG-CG 4.28Å; Y209-I239 HydrophobicContact CD1-CD1 4.27Å; Y209-I239 HydrophobicContact CE1-CD1 3.97Å; Y209-I253 HydrophobicContact CD1-CD1 3.77Å; Y209-I253 HydrophobicContact CD1-CG2 4.3Å; Y209-I253 HydrophobicContact CD2-CG2 3.58Å; Y209-I253 HydrophobicContact CE1-CD1 4.21Å; Y209-I253 HydrophobicContact CE1-CG2 4.4Å; Y209-I253 HydrophobicContact CE2-CG2 3.69Å; Y209-I253 HydrophobicContact CG-CD1 4.13Å; Y209-I253 HydrophobicContact CG-CG2 3.91Å; Y209-D254 VanDerWaalsContact CE2-O 3.3Å; Y209-D254 WeakPolarHBondContact CE2-O 3.21Å; Y209-D254 PolarHBondContact OH-N 2.77Å; Y209-D254 VanDerWaalsContact OH-N 3.11Å; Y209-D254 PolarHBondContact OH-O 3.05Å; Y209-L258 HydrophobicContact CD2-CD1 3.89Å; Y209-L258 HydrophobicContact CE2-CB 4.02Å; Y209-L258 HydrophobicContact CE2-CD1 4.17Å |
| 210 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.6 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | L180 Y182 Q199 R202 A203 T212 V231 V232 | L180-V210 HydrophobicContact CB-CG2 4.27Å; L180-V210 HydrophobicContact CD1-CG2 4.45Å; L180-V210 CarbonylContact O-C 3.57Å; L180-V210 VanDerWaalsContact O-CA 3.31Å; L180-V210 WeakPolarHBondContact O-CA 3.38Å; Y182-V210 HydrophobicContact CD2-CG1 3.95Å; Y182-V210 HydrophobicContact CE2-CG1 4.02Å; Q199-V210 HydrophobicContact CB-CG1 3.96Å; R202-V210 HydrophobicContact CB-CG2 3.95Å; A203-V210 HydrophobicContact CB-CB 4.13Å; A203-V210 HydrophobicContact CB-CG2 3.63Å; V210-T212 HydrophobicContact CG1-CG2 4.33Å; V210-V231 CarbonylContact O-C 3.57Å; V210-V231 WeakPolarHBondContact O-CA 3.25Å; V210-V232 HydrophobicContact CB-CB 4.48Å; V210-V232 PolarHBondContact N-O 3.08Å; V210-V232 PolarHBondContact O-N 2.85Å |
| 211 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | L13 V15 L47 L179 L180 V181 Y182 T230 V231 | L13-A211 HydrophobicContact CD2-CB 3.49Å; L13-A211 VanDerWaalsContact CD2-CB 3.49Å; V15-A211 HydrophobicContact CG2-CB 4.26Å; L47-A211 HydrophobicContact CD2-CB 4.01Å; L179-A211 HydrophobicContact CD1-CB 4.24Å; L180-A211 PolarHBondContact O-N 2.86Å; V181-A211 CarbonylContact C-O 3.55Å; V181-A211 WeakPolarHBondContact CA-O 3.49Å; V181-A211 HydrophobicContact CG1-CB 4.36Å; Y182-A211 PolarHBondContact N-O 2.89Å; A211-T230 CarbonylContact C-O 3.59Å; A211-T230 WeakPolarHBondContact CA-O 3.48Å; A211-V231 HydrophobicContact CB-CG2 4.14Å |
| 212 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.1 | -178.5 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | V15 M163 Y182 W195 Q199 V210 S229 T230 | V15-T212 WeakPolarHBondContact CG1-O 3.42Å; M163-T212 HydrophobicContact SD-CG2 4Å; Y182-T212 VanDerWaalsContact O-CA 3.27Å; Y182-T212 WeakPolarHBondContact O-CA 3.39Å; W195-T212 HydrophobicContact CH2-CG2 4.3Å; W195-T212 HydrophobicContact CZ2-CG2 4.17Å; W195-T212 VanDerWaalsContact CZ2-OG1 3.3Å; W195-T212 WeakPolarHBondContact CZ2-OG1 3.42Å; Q199-T212 HydrophobicContact CB-CG2 4.18Å; V210-T212 HydrophobicContact CG1-CG2 4.33Å; T212-S229 CarbonylContact O-C 3.52Å; T212-S229 WeakPolarHBondContact O-CA 3.33Å; T212-S229 VanDerWaalsContact O-CB 3.3Å; T212-S229 WeakPolarHBondContact O-CB 3.37Å; T212-T230 PolarHBondContact N-O 3.24Å; T212-T230 PolarHBondContact O-N 2.87Å; T212-T230 PolarHBondContact OG1-N 2.77Å; T212-T230 PolarHBondContact OG1-O 3.24Å; T212-T230 VanDerWaalsContact OG1-O 3.13Å |
| 213 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.3 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | V15 L47 L48 P49 Y182 P183 G184 | V15-A213 HydrophobicContact CG1-CB 3.66Å; L47-A213 HydrophobicContact CD2-CB 3.84Å; L47-A213 HydrophobicContact CG-CB 3.62Å; L48-A213 WeakPolarHBondContact O-CB 3.33Å; P49-A213 WeakPolarHBondContact CA-O 3.22Å; P49-A213 HydrophobicContact CB-CB 4.19Å; Y182-A213 PolarHBondContact O-N 3.4Å; P183-A213 CarbonylContact C-O 3.57Å; P183-A213 WeakPolarHBondContact CA-O 3.41Å; G184-A213 PolarHBondContact N-O 3.25Å |
| 214 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -112.1 | 149.6 | 178 | -153 | 0 | 0 | 0 | 0 | 111.1 | Q17 G184 G227 S229 | Q17-S214 VanDerWaalsContact CA-O 3.27Å; Q17-S214 WeakPolarHBondContact CA-O 3.34Å; Q17-S214 WeakPolarHBondContact CG-O 3.45Å; G184-S214 WeakPolarHBondContact O-CA 3.07Å; G184-S214 VanDerWaalsContact O-CB 3.28Å; G184-S214 WeakPolarHBondContact O-CB 3.25Å; G184-S214 PolarHBondContact O-OG 3.31Å; S214-G227 WeakPolarHBondContact CB-O 3.43Å; S214-S229 PolarHBondContact N-OG 3.3Å; S214-S229 PolarHBondContact O-OG 3.35Å | ||
| 215 | P | 98.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 150.3 | 161.7 | -21.8 | 35.1 | 0 | 0 | 0 | 110.3 | L18 V20 P49 A185 A225 G227 | L18-P215 CarbonylContact O-C 3.56Å; L18-P215 WeakPolarHBondContact O-CA 3.45Å; V20-P215 HydrophobicContact CG2-CB 4.02Å; V20-P215 HydrophobicContact CG2-CG 4.42Å; P49-P215 HydrophobicContact CB-CG 4.09Å; A185-P215 HydrophobicContact CB-CG 4.06Å; P215-A225 HydrophobicContact CB-CB 4.25Å; P215-G227 WeakPolarHBondContact O-CA 3.26Å |
| 216 | A | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 154.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q17 L18 Q19 D218 H244 E246 | Q17-A216 HydrophobicContact CG-CB 3.99Å; L18-A216 PolarHBondContact O-N 3.1Å; Q19-A216 HydrophobicContact CB-CB 4.18Å; A216-D218 PolarHBondContact O-N 2.87Å; A216-H244 WeakPolarHBondContact CA-O 3.5Å; A216-E246 HydrophobicContact CB-CB 4.36Å |
| 217 | R | 98.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 125.4 | -177.7 | -176.7 | 176.8 | -56.4 | 164.1 | 7.4 | 110.2 | Q19 M188 E219 V224 A225 W226 H244 | Q19-R217 PolarHBondContact OE1-O 2.82Å; M188-R217 VanDerWaalsContact SD-CZ 3.52Å; M188-R217 PolarHBondContact SD-NE 3Å; M188-R217 VanDerWaalsContact SD-NE 3.41Å; R217-E219 HydrophobicContact CG-CG 4.4Å; R217-V224 HydrophobicContact CG-CG1 3.78Å; R217-A225 WeakPolarHBondContact CB-O 3.44Å; R217-A225 VanDerWaalsContact CG-O 3.31Å; R217-A225 WeakPolarHBondContact CG-O 3.41Å; R217-A225 PolarHBondContact NE-O 3.49Å; R217-W226 VanDerWaalsContact NH2-CZ3 3.25Å; R217-W226 PolarHBondContact NH2-O 3.05Å; R217-H244 HydrophobicContact CB-CB 3.91Å; R217-H244 PolarHBondContact N-O 3.01Å |
| 218 | D | 97.8 | Very high | 97.7 | Very high | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | trans | -116.6 | 112 | 166.4 | -168.1 | -15.5 | 0 | 0 | 0 | 109 | Q19 A216 A220 A221 | Q19-D218 VanDerWaalsContact NE2-CB 3.34Å; A216-D218 PolarHBondContact O-N 2.87Å; D218-A220 PolarHBondContact O-N 3.46Å; D218-A220 WeakPolarHBondContact OD1-CB 3.37Å; D218-A220 PolarHBondContact OD1-N 3.29Å; D218-A221 HydrophobicContact CB-CB 3.81Å; D218-A221 PolarHBondContact O-N 3.13Å | ||
| 219 | E | 96.4 | Very high | 97.7 | Very high | 161 Ų | 161 | 31 Ų | 31 | 75% | 0.752 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.1 | 178.1 | -63 | -167.4 | 165.8 | 0 | 0 | 112.8 | R217 | R217-E219 HydrophobicContact CG-CG 4.4Š|
| 220 | A | 95.7 | Very high | 97.7 | Very high | 92 Ų | 92 | 30.8 Ų | 30.8 | 76% | 0.76 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -11.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D218 | D218-A220 PolarHBondContact O-N 3.46Å; D218-A220 WeakPolarHBondContact OD1-CB 3.37Å; D218-A220 PolarHBondContact OD1-N 3.29Å |
| 221 | A | 94.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -73.4 | 148.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D218 Y223 | D218-A221 HydrophobicContact CB-CB 3.81Å; D218-A221 PolarHBondContact O-N 3.13Å; A221-Y223 PolarHBondContact O-N 2.62Å |
| 222 | S | 92.2 | Very high | 97.7 | Very high | 98 Ų | 98 | 30.8 Ų | 30.8 | 69% | 0.685 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -61.6 | -28.1 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||
| 223 | Y | 95.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 31 Ų | 31 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -119.5 | 102.5 | 172.1 | -172.9 | -91.4 | 0 | 0 | 0 | 109.5 | Y56 F123 F133 A185 N187 A221 A225 | Y56-Y223 AromaticContact CD1-CD1 3.75Å; Y56-Y223 HydrophobicContact CD1-CD1 3.75Å; Y56-Y223 HydrophobicContact CD1-CD2 4.05Å; Y56-Y223 HydrophobicContact CD1-CE1 4.1Å; Y56-Y223 HydrophobicContact CD1-CE2 4.39Å; Y56-Y223 AromaticContact CD1-CG 3.71Å; Y56-Y223 HydrophobicContact CD1-CG 3.71Å; Y56-Y223 HydrophobicContact CE1-CD1 4.48Å; Y56-Y223 HydrophobicContact CE1-CD2 4.34Å; Y56-Y223 HydrophobicContact CE1-CE1 4.44Å; Y56-Y223 HydrophobicContact CE1-CE2 4.32Å; Y56-Y223 HydrophobicContact CE1-CG 4.42Å; F123-Y223 HydrophobicContact CE1-CE2 4Å; F133-Y223 HydrophobicContact CD2-CD2 4.16Å; F133-Y223 HydrophobicContact CD2-CE2 4.45Å; F133-Y223 HydrophobicContact CE2-CD2 4.22Å; A185-Y223 HydrophobicContact CB-CD1 4.44Å; A185-Y223 HydrophobicContact CB-CE1 3.82Å; A185-Y223 WeakPolarHBondContact O-CE1 3.29Å; A185-Y223 VanDerWaalsContact O-CZ 3.29Å; A185-Y223 PolarHBondContact O-OH 3.28Å; N187-Y223 HydrophobicContact CB-CE1 4.37Å; N187-Y223 HydrophobicContact CB-CE2 3.94Å; N187-Y223 PolarHBondContact N-OH 3.02Å; N187-Y223 PolarHBondContact ND2-OH 3.47Å; A221-Y223 PolarHBondContact O-N 2.62Å; Y223-A225 PolarHBondContact O-N 3.16Å |
| 224 | V | 97.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 31 Ų | 31 | 24% | 0.236 | 18% | 0.181 | C | C | . | . | trans | -80 | 104.6 | -178.8 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | N187 M188 R217 | N187-V224 WeakPolarHBondContact CA-O 3.39Å; M188-V224 HydrophobicContact CG-CB 4.14Å; M188-V224 HydrophobicContact CG-CG1 3.72Å; M188-V224 HydrophobicContact SD-CG1 4.26Å; R217-V224 HydrophobicContact CG-CG1 3.78Å | ||
| 225 | A | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 144 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A185 F186 P215 R217 Y223 G227 | A185-A225 HydrophobicContact CB-CB 4.39Å; F186-A225 CarbonylContact O-C 3.54Å; F186-A225 WeakPolarHBondContact O-CA 3.33Å; P215-A225 HydrophobicContact CB-CB 4.25Å; R217-A225 WeakPolarHBondContact CB-O 3.44Å; R217-A225 VanDerWaalsContact CG-O 3.31Å; R217-A225 WeakPolarHBondContact CG-O 3.41Å; R217-A225 PolarHBondContact NE-O 3.49Å; Y223-A225 PolarHBondContact O-N 3.16Å; A225-G227 VanDerWaalsContact C-N 3.34Å |
| 226 | W | 98.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 35 Ų | 35 | 18% | 0.178 | 20% | 0.195 | C | C | . | . | trans | -66.7 | -38 | 176.3 | 176.6 | -122.8 | 0 | 0 | 0 | 111.3 | F186 M188 P192 W195 R217 H228 | F186-W226 HydrophobicContact CB-CB 4.36Å; F186-W226 VanDerWaalsContact O-CB 3.31Å; F186-W226 WeakPolarHBondContact O-CB 3.48Å; F186-W226 PolarHBondContact O-N 3.16Å; M188-W226 HydrophobicContact CE-CE3 4.21Å; M188-W226 HydrophobicContact CE-CZ3 4.05Å; M188-W226 HydrophobicContact SD-CE3 3.77Å; M188-W226 HydrophobicContact SD-CZ3 4.24Å; P192-W226 HydrophobicContact CB-CH2 4.34Å; P192-W226 HydrophobicContact CG-CD2 4.44Å; P192-W226 HydrophobicContact CG-CE3 3.94Å; P192-W226 HydrophobicContact CG-CH2 3.77Å; P192-W226 HydrophobicContact CG-CZ2 4.24Å; P192-W226 HydrophobicContact CG-CZ3 3.6Å; W195-W226 AromaticContact CD1-CD1 3.84Å; W195-W226 AromaticContact CD1-NE1 3.98Å; W195-W226 AromaticContact CG-CD1 3.85Å; R217-W226 VanDerWaalsContact NH2-CZ3 3.25Å; R217-W226 PolarHBondContact NH2-O 3.05Å; W226-H228 AromaticContact CD1-CD2 3.72Å; W226-H228 AromaticContact CD2-CD2 3.58Å; W226-H228 AromaticContact CE2-CD2 3.13Å; W226-H228 AromaticContact CE2-CG 3.95Å; W226-H228 AromaticContact CE2-NE2 3.75Å; W226-H228 AromaticContact CG-CD2 3.94Å; W226-H228 AromaticContact CH2-NE2 3.79Å; W226-H228 AromaticContact CZ2-CD2 3.41Å; W226-H228 VanDerWaalsContact CZ2-CD2 3.41Å; W226-H228 WeakPolarHBondContact CZ2-CD2 3.37Å; W226-H228 AromaticContact CZ2-NE2 3.53Å; W226-H228 AromaticContact NE1-CD2 3.26Å; W226-H228 PolarHBondContact NE1-CD2 3.16Å; W226-H228 VanDerWaalsContact NE1-CD2 3.26Å; W226-H228 AromaticContact NE1-CG 3.68Å; W226-H228 PolarHBondContact O-CD2 3.09Å | ||
| 227 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 79.3 | -137.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S214 P215 A225 S229 | S214-G227 WeakPolarHBondContact CB-O 3.43Å; P215-G227 WeakPolarHBondContact O-CA 3.26Å; A225-G227 VanDerWaalsContact C-N 3.34Å; G227-S229 VanDerWaalsContact C-N 3.33Å; G227-S229 PolarHBondContact O-N 3.29Å | ||
| 228 | H | 98.8 | Very high | 97.7 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | trans | 54.6 | 44.8 | 176.7 | -58.7 | -77.3 | 0 | 0 | 0 | 113.6 | W195 W226 T230 A242 G243 | W195-H228 PolarHBondContact NE1-O 2.93Å; W226-H228 AromaticContact CD1-CD2 3.72Å; W226-H228 AromaticContact CD2-CD2 3.58Å; W226-H228 AromaticContact CE2-CD2 3.13Å; W226-H228 AromaticContact CE2-CG 3.95Å; W226-H228 AromaticContact CE2-NE2 3.75Å; W226-H228 AromaticContact CG-CD2 3.94Å; W226-H228 AromaticContact CH2-NE2 3.79Å; W226-H228 AromaticContact CZ2-CD2 3.41Å; W226-H228 VanDerWaalsContact CZ2-CD2 3.41Å; W226-H228 WeakPolarHBondContact CZ2-CD2 3.37Å; W226-H228 AromaticContact CZ2-NE2 3.53Å; W226-H228 AromaticContact NE1-CD2 3.26Å; W226-H228 PolarHBondContact NE1-CD2 3.16Å; W226-H228 VanDerWaalsContact NE1-CD2 3.26Å; W226-H228 AromaticContact NE1-CG 3.68Å; W226-H228 PolarHBondContact O-CD2 3.09Å; H228-T230 PolarHBondContact O-N 2.83Å; H228-T230 PolarHBondContact O-OG1 2.9Å; H228-A242 PolarHBondContact ND1-O 3.49Å; H228-G243 WeakPolarHBondContact CA-O 3.42Å; H228-G243 PolarHBondContact N-O 2.87Å | ||
| 229 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -46.4 | 133.1 | 165.9 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | Q17 T212 S214 G227 K241 A242 I249 | Q17-S229 WeakPolarHBondContact CB-OG 3.48Å; Q17-S229 PolarHBondContact OE1-OG 3.29Å; T212-S229 CarbonylContact O-C 3.52Å; T212-S229 WeakPolarHBondContact O-CA 3.33Å; T212-S229 VanDerWaalsContact O-CB 3.3Å; T212-S229 WeakPolarHBondContact O-CB 3.37Å; S214-S229 PolarHBondContact N-OG 3.3Å; S214-S229 PolarHBondContact O-OG 3.35Å; G227-S229 VanDerWaalsContact C-N 3.33Å; G227-S229 PolarHBondContact O-N 3.29Å; S229-K241 CarbonylContact O-C 3.6Å; S229-K241 WeakPolarHBondContact O-CA 3.44Å; S229-A242 PolarHBondContact O-N 3.09Å; S229-I249 WeakPolarHBondContact O-CD1 3.29Å | ||
| 230 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 145.5 | -166.9 | -58 | 0 | 0 | 0 | 0 | 111.8 | A211 T212 H228 V232 V238 A240 K241 | A211-T230 CarbonylContact C-O 3.59Å; A211-T230 WeakPolarHBondContact CA-O 3.48Å; T212-T230 PolarHBondContact N-O 3.24Å; T212-T230 PolarHBondContact O-N 2.87Å; T212-T230 PolarHBondContact OG1-N 2.77Å; T212-T230 PolarHBondContact OG1-O 3.24Å; T212-T230 VanDerWaalsContact OG1-O 3.13Å; H228-T230 PolarHBondContact O-N 2.83Å; H228-T230 PolarHBondContact O-OG1 2.9Å; T230-V232 HydrophobicContact CG2-CG2 4.23Å; T230-V238 HydrophobicContact CG2-CB 4.35Å; T230-V238 HydrophobicContact CG2-CG1 3.52Å; T230-V238 HydrophobicContact CG2-CG2 4.05Å; T230-A240 CarbonylContact C-O 3.59Å; T230-A240 WeakPolarHBondContact CA-O 3.31Å; T230-A240 WeakPolarHBondContact CG2-O 3.41Å; T230-K241 HydrophobicContact CG2-CB 4.2Å; T230-K241 HydrophobicContact CG2-CG 4.48Å; T230-K241 WeakPolarHBondContact OG1-CG 3.2Å |
| 231 | V | 99 | Very high | 98 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.5 | 169.1 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | L13 V15 V210 A211 I239 A240 I249 A251 I253 | L13-V231 HydrophobicContact CD2-CG2 4.21Å; V15-V231 HydrophobicContact CG2-CG2 3.73Å; V210-V231 CarbonylContact O-C 3.57Å; V210-V231 WeakPolarHBondContact O-CA 3.25Å; A211-V231 HydrophobicContact CB-CG2 4.14Å; V231-I239 HydrophobicContact CB-CG1 4.05Å; V231-I239 HydrophobicContact CG1-CD1 3.87Å; V231-I239 HydrophobicContact CG1-CG1 3.88Å; V231-I239 WeakPolarHBondContact O-CG1 3.47Å; V231-I239 PolarHBondContact O-N 2.88Å; V231-A240 HydrophobicContact CB-CB 4.29Å; V231-A240 HydrophobicContact CG2-CB 4.41Å; V231-A240 PolarHBondContact N-O 3.38Å; V231-A240 PolarHBondContact O-N 3.38Å; V231-I249 HydrophobicContact CG2-CD1 4.24Å; V231-A251 HydrophobicContact CB-CB 4Å; V231-A251 HydrophobicContact CG1-CB 3.87Å; V231-A251 HydrophobicContact CG2-CB 3.96Å; V231-I253 HydrophobicContact CG1-CD1 4.02Å |
| 232 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.5 | 179.2 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | Q199 R200 A203 Y209 V210 T230 G236 E237 V238 | Q199-V232 HydrophobicContact CB-CG2 4.16Å; Q199-V232 HydrophobicContact CG-CG2 3.82Å; R200-V232 HydrophobicContact CG-CG1 4.01Å; R200-V232 HydrophobicContact CG-CG2 4.23Å; A203-V232 HydrophobicContact CB-CB 3.98Å; A203-V232 HydrophobicContact CB-CG1 3.65Å; Y209-V232 WeakPolarHBondContact CA-O 3.37Å; V210-V232 HydrophobicContact CB-CB 4.48Å; V210-V232 PolarHBondContact N-O 3.08Å; V210-V232 PolarHBondContact O-N 2.85Å; T230-V232 HydrophobicContact CG2-CG2 4.23Å; V232-G236 VanDerWaalsContact CG1-C 3.49Å; V232-E237 CarbonylContact C-O 3.55Å; V232-E237 VanDerWaalsContact CA-O 3.27Å; V232-E237 WeakPolarHBondContact CA-O 3.23Å; V232-E237 VanDerWaalsContact CG1-O 3.29Å; V232-E237 WeakPolarHBondContact CG1-O 3.45Å; V232-V238 HydrophobicContact CG2-CG2 4.29Å |
| 233 | N | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | trans | -82.9 | 169.6 | 176.7 | 76.8 | 10.2 | 0 | 0 | 0 | 112.6 | A203 Y209 W235 G236 E237 I239 Y257 | A203-N233 WeakPolarHBondContact CB-O 3.33Å; Y209-N233 HydrophobicContact CD1-CB 4.2Å; Y209-N233 HydrophobicContact CE1-CB 3.78Å; N233-W235 PolarHBondContact O-N 2.84Å; N233-W235 WeakPolarHBondContact OD1-CA 3.41Å; N233-W235 WeakPolarHBondContact OD1-CB 3.41Å; N233-W235 PolarHBondContact OD1-N 2.85Å; N233-G236 PolarHBondContact O-N 3.46Å; N233-G236 PolarHBondContact OD1-N 2.99Å; N233-E237 PolarHBondContact N-O 3.34Å; N233-E237 PolarHBondContact ND2-OE2 2.72Å; N233-E237 WeakPolarHBondContact OD1-CB 3.28Å; N233-E237 PolarHBondContact OD1-N 2.83Å; N233-I239 HydrophobicContact CB-CD1 4.42Å; N233-I239 HydrophobicContact CB-CG2 3.87Å; N233-Y257 HydrophobicContact CB-CE1 4.14Å | ||
| 234 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -11.9 | 178.8 | -27 | 37.4 | 0 | 0 | 0 | 115.8 | Y209 G236 L258 V261 | Y209-P234 HydrophobicContact CD2-CG 3.82Å; Y209-P234 HydrophobicContact CE2-CG 3.77Å; Y209-P234 HydrophobicContact CG-CG 4.28Å; P234-G236 VanDerWaalsContact C-N 3.35Å; P234-L258 HydrophobicContact CB-CG 4.45Å; P234-L258 HydrophobicContact CG-CB 3.8Å; P234-L258 HydrophobicContact CG-CD1 3.84Å; P234-L258 HydrophobicContact CG-CG 3.82Å; P234-V261 HydrophobicContact CB-CB 4.31Å; P234-V261 HydrophobicContact CB-CG1 4Å; P234-V261 HydrophobicContact CB-CG2 4.47Å |
| 235 | W | 98.7 | Very high | 98.7 | Very high | 94 Ų | 94 | 38.4 Ų | 38.4 | 36% | 0.356 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.8 | 174.6 | -155.5 | -105.7 | 0 | 0 | 0 | 112.7 | N233 E237 Y257 V261 I265 | N233-W235 PolarHBondContact O-N 2.84Å; N233-W235 WeakPolarHBondContact OD1-CA 3.41Å; N233-W235 WeakPolarHBondContact OD1-CB 3.41Å; N233-W235 PolarHBondContact OD1-N 2.85Å; W235-E237 HydrophobicContact CB-CG 4.39Å; W235-Y257 WeakPolarHBondContact CB-OH 3.38Å; W235-V261 HydrophobicContact CE3-CB 4.19Å; W235-V261 HydrophobicContact CE3-CG1 3.64Å; W235-V261 HydrophobicContact CE3-CG2 3.7Å; W235-V261 HydrophobicContact CZ3-CB 4.49Å; W235-V261 HydrophobicContact CZ3-CG1 4.03Å; W235-V261 HydrophobicContact CZ3-CG2 4.26Å; W235-I265 HydrophobicContact CH2-CD1 3.26Å; W235-I265 HydrophobicContact CH2-CG1 3.81Å; W235-I265 HydrophobicContact CZ2-CD1 4Å; W235-I265 HydrophobicContact CZ3-CD1 3.64Å; W235-I265 HydrophobicContact CZ3-CG1 3.97Å |
| 236 | G | 98.6 | Very high | 98.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 78.7 | 16.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | R200 V232 N233 P234 | R200-G236 PolarHBondContact NE-O 3.28Å; V232-G236 VanDerWaalsContact CG1-C 3.49Å; N233-G236 PolarHBondContact O-N 3.46Å; N233-G236 PolarHBondContact OD1-N 2.99Å; P234-G236 VanDerWaalsContact C-N 3.35Å |
| 237 | E | 98.8 | Very high | 98.8 | Very high | 96 Ų | 96 | 40.7 Ų | 40.7 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | trans | -92.2 | 136.5 | 176.5 | -54.6 | 174.5 | 145.6 | 0 | 0 | 110.9 | V232 N233 W235 I239 | V232-E237 CarbonylContact C-O 3.55Å; V232-E237 VanDerWaalsContact CA-O 3.27Å; V232-E237 WeakPolarHBondContact CA-O 3.23Å; V232-E237 VanDerWaalsContact CG1-O 3.29Å; V232-E237 WeakPolarHBondContact CG1-O 3.45Å; N233-E237 PolarHBondContact N-O 3.34Å; N233-E237 PolarHBondContact ND2-OE2 2.72Å; N233-E237 WeakPolarHBondContact OD1-CB 3.28Å; N233-E237 PolarHBondContact OD1-N 2.83Å; W235-E237 HydrophobicContact CB-CG 4.39Å; E237-I239 PolarHBondContact O-N 3.28Å | ||
| 238 | V | 98.9 | Very high | 98.8 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 30% | 0.297 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 115.3 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 108.8 | E196 R200 T230 V232 K241 | E196-V238 HydrophobicContact CG-CG2 4.09Å; R200-V238 HydrophobicContact CG-CG2 4.36Å; T230-V238 HydrophobicContact CG2-CB 4.35Å; T230-V238 HydrophobicContact CG2-CG1 3.52Å; T230-V238 HydrophobicContact CG2-CG2 4.05Å; V232-V238 HydrophobicContact CG2-CG2 4.29Å; V238-K241 HydrophobicContact CG1-CB 3.84Å; V238-K241 HydrophobicContact CG1-CD 4.47Å |
| 239 | I | 98.8 | Very high | 98.8 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -17.7 | -176.4 | 60.6 | 168.9 | 0 | 0 | 0 | 113.5 | Y209 V231 N233 E237 A251 | Y209-I239 HydrophobicContact CD1-CD1 4.27Å; Y209-I239 HydrophobicContact CE1-CD1 3.97Å; V231-I239 HydrophobicContact CB-CG1 4.05Å; V231-I239 HydrophobicContact CG1-CD1 3.87Å; V231-I239 HydrophobicContact CG1-CG1 3.88Å; V231-I239 WeakPolarHBondContact O-CG1 3.47Å; V231-I239 PolarHBondContact O-N 2.88Å; N233-I239 HydrophobicContact CB-CD1 4.42Å; N233-I239 HydrophobicContact CB-CG2 3.87Å; E237-I239 PolarHBondContact O-N 3.28Å; I239-A251 HydrophobicContact CD1-CB 4.08Å; I239-A251 HydrophobicContact CG1-CB 4.44Å |
| 240 | A | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 136.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T230 V231 I249 A251 | T230-A240 CarbonylContact C-O 3.59Å; T230-A240 WeakPolarHBondContact CA-O 3.31Å; T230-A240 WeakPolarHBondContact CG2-O 3.41Å; V231-A240 HydrophobicContact CB-CB 4.29Å; V231-A240 HydrophobicContact CG2-CB 4.41Å; V231-A240 PolarHBondContact N-O 3.38Å; V231-A240 PolarHBondContact O-N 3.38Å; A240-I249 HydrophobicContact CB-CB 4.39Å; A240-I249 HydrophobicContact CB-CD1 4.02Å; A240-A251 HydrophobicContact CB-CB 4.22Å |
| 241 | K | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 44.8 Ų | 44.8 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 132.6 | -180 | 178.6 | 162.1 | 63.7 | 175.2 | 0 | 111.2 | E196 S229 T230 V238 | E196-K241 IonicContact OE2-NZ 3.86Å; E196-K241 PolarHBondContact OE2-NZ 2.64Å; S229-K241 CarbonylContact O-C 3.6Å; S229-K241 WeakPolarHBondContact O-CA 3.44Å; T230-K241 HydrophobicContact CG2-CB 4.2Å; T230-K241 HydrophobicContact CG2-CG 4.48Å; T230-K241 WeakPolarHBondContact OG1-CG 3.2Å; V238-K241 HydrophobicContact CG1-CB 3.84Å; V238-K241 HydrophobicContact CG1-CD 4.47Å |
| 242 | A | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | trans | -80.6 | 163.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H228 S229 I249 | H228-A242 PolarHBondContact ND1-O 3.49Å; S229-A242 PolarHBondContact O-N 3.09Å; A242-I249 HydrophobicContact CB-CG2 3.82Å | ||
| 243 | G | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 42% | 0.423 | 25% | 0.25 | S | S | . | . | trans | -76.8 | -146.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q17 H228 | Q17-G243 PolarHBondContact NE2-O 2.87Å; H228-G243 WeakPolarHBondContact CA-O 3.42Å; H228-G243 PolarHBondContact N-O 2.87Å | ||
| 244 | H | 98.4 | Very high | 98.7 | Very high | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.398 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -99.5 | -9.1 | 173.8 | 57.9 | -101.4 | 0 | 0 | 0 | 113.6 | Q17 A216 R217 | Q17-H244 VanDerWaalsContact NE2-C 3.34Å; A216-H244 WeakPolarHBondContact CA-O 3.5Å; R217-H244 HydrophobicContact CB-CB 3.91Å; R217-H244 PolarHBondContact N-O 3.01Å |
| 245 | E | 98.7 | Very high | 98.7 | Very high | 142 Ų | 142 | 50.7 Ų | 50.7 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -85.5 | 164.1 | -177.2 | -59.1 | 179.7 | 150.7 | 0 | 0 | 113.1 | Q17 S247 | Q17-E245 PolarHBondContact NE2-O 2.8Å; E245-S247 PolarHBondContact O-N 2.61Å; E245-S247 PolarHBondContact O-OG 3.07Å |
| 246 | E | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 51 Ų | 51 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -57.9 | 124.3 | 172.7 | -172.1 | 172.8 | 95.3 | 0 | 0 | 110.1 | Q17 Q19 K30 R33 A216 | Q17-E246 VanDerWaalsContact O-CA 3.29Å; Q17-E246 WeakPolarHBondContact O-CA 3.41Å; Q17-E246 WeakPolarHBondContact O-CG 3.48Å; Q19-E246 HydrophobicContact CB-CB 4.09Å; Q19-E246 HydrophobicContact CB-CG 4.38Å; Q19-E246 WeakPolarHBondContact CB-OE2 3.49Å; Q19-E246 PolarHBondContact N-OE2 2.92Å; K30-E246 IonicContact NZ-OE2 2.9Å; K30-E246 PolarHBondContact NZ-OE2 2.95Å; R33-E246 IonicContact NH2-OE1 2.85Å; R33-E246 PolarHBondContact NH2-OE1 3.29Å; A216-E246 HydrophobicContact CB-CB 4.36Å |
| 247 | S | 98.7 | Very high | 98.7 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 164.7 | -176.1 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | Q17 E245 | Q17-S247 PolarHBondContact N-O 2.71Å; Q17-S247 PolarHBondContact O-N 2.77Å; E245-S247 PolarHBondContact O-N 2.61Å; E245-S247 PolarHBondContact O-OG 3.07Å |
| 248 | I | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.7 | 164.6 | -49.9 | 176.5 | 0 | 0 | 0 | 107 | A14 V15 V16 L34 E37 A38 Y250 | A14-I248 HydrophobicContact CB-CG2 4Å; V15-I248 WeakPolarHBondContact O-CA 3.46Å; V16-I248 HydrophobicContact CG2-CG1 4.38Å; V16-I248 HydrophobicContact CG2-CG2 4.46Å; L34-I248 HydrophobicContact CB-CD1 4.09Å; L34-I248 HydrophobicContact CD2-CD1 3.82Å; L34-I248 HydrophobicContact CD2-CG1 4.01Å; L34-I248 WeakPolarHBondContact O-CD1 3.46Å; E37-I248 HydrophobicContact CB-CD1 4.18Å; E37-I248 HydrophobicContact CG-CD1 4.12Å; A38-I248 HydrophobicContact CB-CD1 4.48Å; I248-Y250 HydrophobicContact CB-CE2 3.98Å; I248-Y250 HydrophobicContact CG2-CD1 4.36Å; I248-Y250 HydrophobicContact CG2-CD2 4.38Å; I248-Y250 HydrophobicContact CG2-CE1 3.76Å; I248-Y250 HydrophobicContact CG2-CE2 3.78Å; I248-Y250 VanDerWaalsContact CG2-CZ 3.44Å |
| 249 | I | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.4 | 167.1 | 64.6 | 168.8 | 0 | 0 | 0 | 109.7 | A14 V15 S229 V231 A240 A242 | A14-I249 WeakPolarHBondContact CA-O 3.42Å; V15-I249 HydrophobicContact CB-CD1 4.23Å; V15-I249 HydrophobicContact CB-CG1 3.69Å; V15-I249 HydrophobicContact CG1-CG1 4.44Å; V15-I249 HydrophobicContact CG2-CG1 4.35Å; V15-I249 PolarHBondContact N-O 2.86Å; V15-I249 PolarHBondContact O-N 2.98Å; S229-I249 WeakPolarHBondContact O-CD1 3.29Å; V231-I249 HydrophobicContact CG2-CD1 4.24Å; A240-I249 HydrophobicContact CB-CB 4.39Å; A240-I249 HydrophobicContact CB-CD1 4.02Å; A242-I249 HydrophobicContact CB-CG2 3.82Å |
| 250 | Y | 98.9 | Very high | 98.6 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 27% | 0.271 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.1 | -179 | -59.7 | -85.1 | 0 | 0 | 0 | 109.6 | R12 L13 A14 A38 Q41 I248 | R12-Y250 HydrophobicContact CG-CD1 4.38Å; L13-Y250 WeakPolarHBondContact O-CA 3.44Å; A14-Y250 HydrophobicContact CB-CD1 3.75Å; A14-Y250 HydrophobicContact CB-CE1 3.66Å; A38-Y250 HydrophobicContact CB-CE1 4.28Å; Q41-Y250 HydrophobicContact CB-CD1 4.36Å; Q41-Y250 HydrophobicContact CB-CE1 3.67Å; Q41-Y250 HydrophobicContact CG-CE1 4.28Å; Q41-Y250 HydrophobicContact CG-CE2 4.44Å; I248-Y250 HydrophobicContact CB-CE2 3.98Å; I248-Y250 HydrophobicContact CG2-CD1 4.36Å; I248-Y250 HydrophobicContact CG2-CD2 4.38Å; I248-Y250 HydrophobicContact CG2-CE1 3.76Å; I248-Y250 HydrophobicContact CG2-CE2 3.78Å; I248-Y250 VanDerWaalsContact CG2-CZ 3.44Å |
| 251 | A | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 48 Ų | 48 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L13 V231 I239 A240 I253 | L13-A251 PolarHBondContact N-O 3.17Å; L13-A251 PolarHBondContact O-N 2.74Å; V231-A251 HydrophobicContact CB-CB 4Å; V231-A251 HydrophobicContact CG1-CB 3.87Å; V231-A251 HydrophobicContact CG2-CB 3.96Å; I239-A251 HydrophobicContact CD1-CB 4.08Å; I239-A251 HydrophobicContact CG1-CB 4.44Å; A240-A251 HydrophobicContact CB-CB 4.22Å; A251-I253 HydrophobicContact CB-CD1 4.35Å |
| 252 | D | 98.5 | Very high | 98.5 | Very high | 87 Ų | 87 | 46 Ų | 46 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 108.7 | 171.6 | -68.1 | -39.2 | 0 | 0 | 0 | 108.5 | R12 D254 | R12-D252 WeakPolarHBondContact CB-OD1 3.43Å; R12-D252 IonicContact CZ-OD1 3.76Å; R12-D252 IonicContact CZ-OD2 3.21Å; R12-D252 IonicContact NE-OD1 2.77Å; R12-D252 PolarHBondContact NE-OD1 2.95Å; R12-D252 IonicContact NE-OD2 3.68Å; R12-D252 IonicContact NH2-OD1 3.36Å; R12-D252 PolarHBondContact NH2-OD1 3.17Å; R12-D252 IonicContact NH2-OD2 2.95Å; R12-D252 PolarHBondContact NH2-OD2 2.92Å; D252-D254 PolarHBondContact O-N 3.27Å |
| 253 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.4 | -178.5 | -55 | -57.6 | 0 | 0 | 0 | 108.5 | K10 F11 L13 Y209 V231 A251 L255 | K10-I253 VanDerWaalsContact CA-O 3.23Å; K10-I253 WeakPolarHBondContact CA-O 3.37Å; F11-I253 HydrophobicContact CD1-CB 3.97Å; F11-I253 HydrophobicContact CD1-CG2 4.28Å; F11-I253 HydrophobicContact CD2-CB 4.45Å; F11-I253 HydrophobicContact CD2-CG1 4.43Å; F11-I253 HydrophobicContact CE1-CB 3.56Å; F11-I253 HydrophobicContact CE1-CG1 4.2Å; F11-I253 HydrophobicContact CE1-CG2 3.48Å; F11-I253 VanDerWaalsContact CE1-CG2 3.48Å; F11-I253 HydrophobicContact CE2-CB 4.07Å; F11-I253 HydrophobicContact CE2-CG1 3.83Å; F11-I253 HydrophobicContact CG-CB 4.41Å; F11-I253 HydrophobicContact CZ-CB 3.61Å; F11-I253 HydrophobicContact CZ-CG1 3.71Å; F11-I253 HydrophobicContact CZ-CG2 3.67Å; F11-I253 PolarHBondContact N-O 2.85Å; F11-I253 PolarHBondContact O-N 2.79Å; L13-I253 HydrophobicContact CB-CD1 4.22Å; L13-I253 HydrophobicContact CB-CG1 3.82Å; L13-I253 HydrophobicContact CD2-CD1 4.16Å; L13-I253 HydrophobicContact CD2-CG1 4.44Å; Y209-I253 HydrophobicContact CD1-CD1 3.77Å; Y209-I253 HydrophobicContact CD1-CG2 4.3Å; Y209-I253 HydrophobicContact CD2-CG2 3.58Å; Y209-I253 HydrophobicContact CE1-CD1 4.21Å; Y209-I253 HydrophobicContact CE1-CG2 4.4Å; Y209-I253 HydrophobicContact CE2-CG2 3.69Å; Y209-I253 HydrophobicContact CG-CD1 4.13Å; Y209-I253 HydrophobicContact CG-CG2 3.91Å; V231-I253 HydrophobicContact CG1-CD1 4.02Å; A251-I253 HydrophobicContact CB-CD1 4.35Å; I253-L255 HydrophobicContact CG2-CD2 4.16Å |
| 254 | D | 98.4 | Very high | 98.5 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.2 | -179.1 | -172.2 | -14.6 | 0 | 0 | 0 | 111.2 | K10 Y209 D252 Q256 Y257 L258 | K10-D254 HydrophobicContact CD-CB 4.34Å; K10-D254 VanDerWaalsContact CE-CG 3.43Å; K10-D254 WeakPolarHBondContact CE-OD2 3.47Å; K10-D254 HydrophobicContact CG-CB 4.2Å; K10-D254 IonicContact NZ-OD2 2.66Å; K10-D254 PolarHBondContact NZ-OD2 3Å; Y209-D254 VanDerWaalsContact CE2-O 3.3Å; Y209-D254 WeakPolarHBondContact CE2-O 3.21Å; Y209-D254 PolarHBondContact OH-N 2.77Å; Y209-D254 VanDerWaalsContact OH-N 3.11Å; Y209-D254 PolarHBondContact OH-O 3.05Å; D252-D254 PolarHBondContact O-N 3.27Å; D254-Q256 VanDerWaalsContact C-N 3.33Å; D254-Q256 WeakPolarHBondContact OD1-CA 3.48Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.45Å; D254-Q256 PolarHBondContact OD1-N 3.22Å; D254-Y257 PolarHBondContact O-N 3.21Å; D254-Y257 PolarHBondContact OD1-N 3.23Å; D254-Y257 VanDerWaalsContact OD1-N 3.12Å; D254-L258 PolarHBondContact O-N 3.3Å |
| 255 | L | 98.3 | Very high | 98.5 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76 | -21.1 | -179.7 | -58.6 | -179.2 | 0 | 0 | 0 | 112.7 | S9 F152 C153 Q178 I253 A259 | S9-L255 WeakPolarHBondContact O-CB 2.94Å; S9-L255 PolarHBondContact O-N 2.85Å; F152-L255 HydrophobicContact CB-CD1 4.33Å; F152-L255 WeakPolarHBondContact O-CD1 3.21Å; C153-L255 HydrophobicContact CB-CD1 3.88Å; C153-L255 HydrophobicContact CB-CD2 4.08Å; Q178-L255 HydrophobicContact CB-CD2 4.12Å; I253-L255 HydrophobicContact CG2-CD2 4.16Å; L255-A259 PolarHBondContact O-N 3.04Å; L255-A259 VanDerWaalsContact O-N 3.1Å |
| 256 | Q | 98.1 | Very high | 98.4 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.8 | -45.4 | 170.7 | -175.1 | 60.6 | 53.3 | 0 | 0 | 109.7 | D254 L258 A259 D260 | D254-Q256 VanDerWaalsContact C-N 3.33Å; D254-Q256 WeakPolarHBondContact OD1-CA 3.48Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.45Å; D254-Q256 PolarHBondContact OD1-N 3.22Å; Q256-L258 VanDerWaalsContact C-N 3.26Å; Q256-L258 PolarHBondContact O-N 2.67Å; Q256-A259 WeakPolarHBondContact O-CA 3.27Å; Q256-A259 WeakPolarHBondContact O-CB 3.48Å; Q256-A259 PolarHBondContact O-N 3.33Å; Q256-D260 PolarHBondContact NE2-OD1 3.24Å; Q256-D260 PolarHBondContact O-N 2.91Å |
| 257 | Y | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 52 Ų | 52 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.3 | -41 | 174.4 | 178.6 | -106.9 | 0 | 0 | 0 | 112.1 | N233 W235 D254 A259 D260 V261 | N233-Y257 HydrophobicContact CB-CE1 4.14Å; W235-Y257 WeakPolarHBondContact CB-OH 3.38Å; D254-Y257 PolarHBondContact O-N 3.21Å; D254-Y257 PolarHBondContact OD1-N 3.23Å; D254-Y257 VanDerWaalsContact OD1-N 3.12Å; Y257-A259 VanDerWaalsContact C-N 3.34Å; Y257-A259 PolarHBondContact O-N 2.8Å; Y257-D260 PolarHBondContact O-N 3.2Å; Y257-V261 HydrophobicContact CD1-CG2 4.33Å; Y257-V261 HydrophobicContact CE1-CG2 3.89Å; Y257-V261 HydrophobicContact CE2-CG2 4.14Å; Y257-V261 WeakPolarHBondContact O-CG2 3.48Å; Y257-V261 PolarHBondContact O-N 2.88Å |
| 258 | L | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 173.3 | 179.7 | 152.3 | 0 | 0 | 0 | 112.4 | Q178 Y209 P234 D254 Q256 V261 R262 | Q178-L258 HydrophobicContact CB-CD1 3.76Å; Q178-L258 HydrophobicContact CG-CD1 4.15Å; Q178-L258 HydrophobicContact CG-CD2 4.16Å; Q178-L258 WeakPolarHBondContact O-CD1 3.38Å; Y209-L258 HydrophobicContact CD2-CD1 3.89Å; Y209-L258 HydrophobicContact CE2-CB 4.02Å; Y209-L258 HydrophobicContact CE2-CD1 4.17Å; P234-L258 HydrophobicContact CB-CG 4.45Å; P234-L258 HydrophobicContact CG-CB 3.8Å; P234-L258 HydrophobicContact CG-CD1 3.84Å; P234-L258 HydrophobicContact CG-CG 3.82Å; D254-L258 PolarHBondContact O-N 3.3Å; Q256-L258 VanDerWaalsContact C-N 3.26Å; Q256-L258 PolarHBondContact O-N 2.67Å; L258-V261 PolarHBondContact O-N 3.37Å; L258-R262 HydrophobicContact CD2-CG 4.49Å; L258-R262 WeakPolarHBondContact O-CG 3.38Å; L258-R262 PolarHBondContact O-N 2.82Å; L258-R262 VanDerWaalsContact O-N 3.11Å |
| 259 | A | 97.9 | Very high | 97.7 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | L255 Q256 Y257 R262 Q263 | L255-A259 PolarHBondContact O-N 3.04Å; L255-A259 VanDerWaalsContact O-N 3.1Å; Q256-A259 WeakPolarHBondContact O-CA 3.27Å; Q256-A259 WeakPolarHBondContact O-CB 3.48Å; Q256-A259 PolarHBondContact O-N 3.33Å; Y257-A259 VanDerWaalsContact C-N 3.34Å; Y257-A259 PolarHBondContact O-N 2.8Å; A259-R262 PolarHBondContact O-N 2.84Å; A259-Q263 PolarHBondContact O-N 3.22Å |
| 260 | D | 98.2 | Very high | 97.7 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 178.1 | -60 | -16.4 | 0 | 0 | 0 | 111.1 | Q256 Y257 R262 Q263 Q264 | Q256-D260 PolarHBondContact NE2-OD1 3.24Å; Q256-D260 PolarHBondContact O-N 2.91Å; Y257-D260 PolarHBondContact O-N 3.2Å; D260-R262 PolarHBondContact O-N 3.03Å; D260-Q263 PolarHBondContact O-N 2.67Å; D260-Q263 VanDerWaalsContact O-N 3.17Å; D260-Q264 WeakPolarHBondContact O-CB 3.36Å; D260-Q264 VanDerWaalsContact O-CG 3.27Å; D260-Q264 WeakPolarHBondContact O-CG 3.46Å; D260-Q264 PolarHBondContact O-N 2.78Å |
| 261 | V | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 174.9 | 164.4 | 0 | 0 | 0 | 0 | 111.4 | Q207 P234 W235 Y257 L258 Q263 Q264 I265 | Q207-V261 HydrophobicContact CB-CG1 4.42Å; Q207-V261 HydrophobicContact CG-CG1 4.14Å; Q207-V261 PolarHBondContact NE2-O 3.38Å; P234-V261 HydrophobicContact CB-CB 4.31Å; P234-V261 HydrophobicContact CB-CG1 4Å; P234-V261 HydrophobicContact CB-CG2 4.47Å; W235-V261 HydrophobicContact CE3-CB 4.19Å; W235-V261 HydrophobicContact CE3-CG1 3.64Å; W235-V261 HydrophobicContact CE3-CG2 3.7Å; W235-V261 HydrophobicContact CZ3-CB 4.49Å; W235-V261 HydrophobicContact CZ3-CG1 4.03Å; W235-V261 HydrophobicContact CZ3-CG2 4.26Å; Y257-V261 HydrophobicContact CD1-CG2 4.33Å; Y257-V261 HydrophobicContact CE1-CG2 3.89Å; Y257-V261 HydrophobicContact CE2-CG2 4.14Å; Y257-V261 WeakPolarHBondContact O-CG2 3.48Å; Y257-V261 PolarHBondContact O-N 2.88Å; L258-V261 PolarHBondContact O-N 3.37Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 3.16Å; V261-Q264 PolarHBondContact O-N 2.8Å; V261-I265 PolarHBondContact O-N 3.36Å |
| 262 | R | 98.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.5 | -31.9 | 178 | -72.6 | -178.9 | 178.4 | -174.7 | -0.2 | 112.5 | N173 C177 Q207 L258 A259 D260 P266 | N173-R262 PolarHBondContact ND2-NH2 3.43Å; C177-R262 PolarHBondContact O-NH2 3.19Å; Q207-R262 HydrophobicContact CB-CG 3.77Å; Q207-R262 HydrophobicContact CG-CG 4.49Å; Q207-R262 PolarHBondContact O-NE 2.85Å; Q207-R262 PolarHBondContact O-NH2 3.22Å; L258-R262 HydrophobicContact CD2-CG 4.49Å; L258-R262 WeakPolarHBondContact O-CG 3.38Å; L258-R262 PolarHBondContact O-N 2.82Å; L258-R262 VanDerWaalsContact O-N 3.11Å; A259-R262 PolarHBondContact O-N 2.84Å; D260-R262 PolarHBondContact O-N 3.03Å; R262-P266 VanDerWaalsContact O-CA 3.23Å; R262-P266 WeakPolarHBondContact O-CA 3.4Å; R262-P266 WeakPolarHBondContact O-CB 3.16Å |
| 263 | Q | 98.1 | Very high | 97.2 | Very high | 155 Ų | 155 | 66.1 Ų | 66.1 | 72% | 0.724 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.1 | -41.3 | 175.6 | -175.1 | 179.3 | 1.3 | 0 | 0 | 112 | A259 D260 V261 | A259-Q263 PolarHBondContact O-N 3.22Å; D260-Q263 PolarHBondContact O-N 2.67Å; D260-Q263 VanDerWaalsContact O-N 3.17Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 3.16Å |
| 264 | Q | 98.3 | Very high | 97.1 | Very high | 136 Ų | 136 | 71.4 Ų | 71.4 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.8 | -41.3 | -177.4 | -71.5 | 172.9 | 27.9 | 0 | 0 | 112.6 | D260 V261 | D260-Q264 WeakPolarHBondContact O-CB 3.36Å; D260-Q264 VanDerWaalsContact O-CG 3.27Å; D260-Q264 WeakPolarHBondContact O-CG 3.46Å; D260-Q264 PolarHBondContact O-N 2.78Å; V261-Q264 PolarHBondContact O-N 2.8Å |
| 265 | I | 98.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 75.8 Ų | 75.8 | 40% | 0.395 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -126.2 | 86.1 | 175.8 | -50.8 | -175.7 | 0 | 0 | 0 | 108.8 | Q207 W235 V261 I267 | Q207-I265 PolarHBondContact NE2-O 2.91Å; Q207-I265 PolarHBondContact OE1-O 3.28Å; W235-I265 HydrophobicContact CH2-CD1 3.26Å; W235-I265 HydrophobicContact CH2-CG1 3.81Å; W235-I265 HydrophobicContact CZ2-CD1 4Å; W235-I265 HydrophobicContact CZ3-CD1 3.64Å; W235-I265 HydrophobicContact CZ3-CG1 3.97Å; V261-I265 PolarHBondContact O-N 3.36Å; I265-I267 HydrophobicContact CG2-CG2 3.66Å; I265-I267 PolarHBondContact O-N 3.11Å |
| 266 | P | 97.5 | Very high | 97 | Very high | 46 Ų | 46 | 80.3 Ų | 80.3 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | trans | -82 | 59.9 | -169.6 | 34.4 | -37.7 | 0 | 0 | 0 | 113.2 | R262 S268 S269 Q270 | R262-P266 VanDerWaalsContact O-CA 3.23Å; R262-P266 WeakPolarHBondContact O-CA 3.4Å; R262-P266 WeakPolarHBondContact O-CB 3.16Å; P266-S268 PolarHBondContact O-N 2.88Å; P266-S269 PolarHBondContact O-N 3Å; P266-S269 PolarHBondContact O-OG 3.22Å; P266-Q270 WeakPolarHBondContact O-CG 3.25Å; P266-Q270 PolarHBondContact O-N 3.06Å | ||
| 267 | I | 97.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 78.4 Ų | 78.4 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -59.6 | -31.4 | -175.6 | 65.1 | 179.4 | 0 | 0 | 0 | 112.8 | D205 Q207 I265 S269 Q270 R271 | D205-I267 WeakPolarHBondContact O-CD1 3.48Å; Q207-I267 HydrophobicContact CG-CD1 3.88Å; Q207-I267 HydrophobicContact CG-CG1 4.28Å; I265-I267 HydrophobicContact CG2-CG2 3.66Å; I265-I267 PolarHBondContact O-N 3.11Å; I267-S269 PolarHBondContact O-N 3.16Å; I267-Q270 PolarHBondContact O-N 2.94Å; I267-R271 PolarHBondContact O-N 2.97Å |
| 268 | S | 91.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 76.1 Ų | 76.1 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -66.6 | -35.3 | -178.4 | -64.3 | 0 | 0 | 0 | 0 | 113 | P266 Q270 | P266-S268 PolarHBondContact O-N 2.88Å; S268-Q270 VanDerWaalsContact C-N 3.32Å |
| 269 | S | 93.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 81 Ų | 81 | 70% | 0.699 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -83.1 | -10.4 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | P266 I267 | P266-S269 PolarHBondContact O-N 3Å; P266-S269 PolarHBondContact O-OG 3.22Å; I267-S269 PolarHBondContact O-N 3.16Å |
| 270 | Q | 96.9 | Very high | 96.1 | Very high | 123 Ų | 123 | 81 Ų | 81 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -97.5 | 0.3 | -178.9 | -66.9 | 171 | -16.2 | 0 | 0 | 112.7 | P266 I267 S268 | P266-Q270 WeakPolarHBondContact O-CG 3.25Å; P266-Q270 PolarHBondContact O-N 3.06Å; I267-Q270 PolarHBondContact O-N 2.94Å; S268-Q270 VanDerWaalsContact C-N 3.32Å |
| 271 | R | 95.2 | Very high | 95.5 | Very high | 53 Ų | 53 | 85 Ų | 85 | 20% | 0.2 | 45% | 0.452 | C | S | . | . | trans | -62.8 | 137.5 | 176.5 | -70.9 | -173.9 | 174.1 | -97.3 | -4.7 | 110.7 | I267 D273 | I267-R271 PolarHBondContact O-N 2.97Å; R271-D273 VanDerWaalsContact C-N 3.34Å; R271-D273 PolarHBondContact O-N 3.16Å | ||
| 272 | R | 97.4 | Very high | 94 | Very high | 122 Ų | 122 | 92.4 Ų | 92.4 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | trans | -90 | 70.1 | 176.8 | -69.6 | -67 | -59.4 | -82.4 | -1.1 | 110.5 | D274 L275 Y276 | R272-D274 VanDerWaalsContact C-OD1 3.3Å; R272-D274 WeakPolarHBondContact CA-OD1 3.44Å; R272-D274 WeakPolarHBondContact CB-OD1 3.16Å; R272-D274 WeakPolarHBondContact CD-OD1 3.21Å; R272-D274 IonicContact CZ-OD1 3.05Å; R272-D274 IonicContact CZ-OD2 3.47Å; R272-D274 IonicContact NE-OD1 2.98Å; R272-D274 PolarHBondContact NE-OD1 3.29Å; R272-D274 IonicContact NE-OD2 2.74Å; R272-D274 PolarHBondContact NE-OD2 3.27Å; R272-D274 IonicContact NH2-OD1 2.71Å; R272-D274 IonicContact NH2-OD2 2.71Å; R272-D274 PolarHBondContact NH2-OD2 2.73Å; R272-D274 PolarHBondContact O-N 2.56Å; R272-D274 VanDerWaalsContact O-N 3.13Å; R272-L275 HydrophobicContact CB-CB 4.18Å; R272-L275 HydrophobicContact CB-CD1 4.04Å; R272-L275 HydrophobicContact CB-CG 4.11Å; R272-L275 HydrophobicContact CG-CD1 4.39Å; R272-L275 PolarHBondContact O-N 2.89Å; R272-Y276 HydrophobicContact CB-CD1 4.41Å; R272-Y276 HydrophobicContact CB-CE1 3.87Å; R272-Y276 PolarHBondContact N-OH 3.42Å; R272-Y276 PolarHBondContact O-N 3.23Å | ||
| 273 | D | 93.9 | Very high | 91.9 | Very high | 93 Ų | 93 | 97.5 Ų | 97.5 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.2 | 178.7 | -74.1 | -37.5 | 0 | 0 | 0 | 113 | R174 R271 L275 Y276 | R174-D273 IonicContact CZ-OD1 3.5Å; R174-D273 IonicContact NH2-OD1 2.83Å; R174-D273 PolarHBondContact NH2-OD1 2.71Å; R174-D273 IonicContact NH2-OD2 3.85Å; R271-D273 VanDerWaalsContact C-N 3.34Å; R271-D273 PolarHBondContact O-N 3.16Å; D273-L275 VanDerWaalsContact C-N 3.33Å; D273-Y276 VanDerWaalsContact CA-O 3.31Å; D273-Y276 WeakPolarHBondContact CA-O 3.36Å |
| 274 | D | 96.9 | Very high | 89.5 | Confident | 111 Ų | 111 | 92.5 Ų | 92.5 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -19 | 168 | 64.3 | -57.8 | 0 | 0 | 0 | 113.7 | R272 | R272-D274 VanDerWaalsContact C-OD1 3.3Å; R272-D274 WeakPolarHBondContact CA-OD1 3.44Å; R272-D274 WeakPolarHBondContact CB-OD1 3.16Å; R272-D274 WeakPolarHBondContact CD-OD1 3.21Å; R272-D274 IonicContact CZ-OD1 3.05Å; R272-D274 IonicContact CZ-OD2 3.47Å; R272-D274 IonicContact NE-OD1 2.98Å; R272-D274 PolarHBondContact NE-OD1 3.29Å; R272-D274 IonicContact NE-OD2 2.74Å; R272-D274 PolarHBondContact NE-OD2 3.27Å; R272-D274 IonicContact NH2-OD1 2.71Å; R272-D274 IonicContact NH2-OD2 2.71Å; R272-D274 PolarHBondContact NH2-OD2 2.73Å; R272-D274 PolarHBondContact O-N 2.56Å; R272-D274 VanDerWaalsContact O-N 3.13Å |
| 275 | L | 98 | Very high | 86.5 | Confident | 120 Ų | 120 | 91.8 Ų | 91.8 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -36.1 | 179.9 | -61 | -176.7 | 0 | 0 | 0 | 113.1 | R272 D273 | R272-L275 HydrophobicContact CB-CB 4.18Å; R272-L275 HydrophobicContact CB-CD1 4.04Å; R272-L275 HydrophobicContact CB-CG 4.11Å; R272-L275 HydrophobicContact CG-CD1 4.39Å; R272-L275 PolarHBondContact O-N 2.89Å; D273-L275 VanDerWaalsContact C-N 3.33Å |
| 276 | Y | 96.9 | Very high | 83.5 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 43% | 0.431 | 57% | 0.569 | S | S | . | * | trans | -147.6 | 152.2 | -177.8 | 63.7 | -96.6 | 0 | 0 | 0 | 111.5 | R272 D273 | R272-Y276 HydrophobicContact CB-CD1 4.41Å; R272-Y276 HydrophobicContact CB-CE1 3.87Å; R272-Y276 PolarHBondContact N-OH 3.42Å; R272-Y276 PolarHBondContact O-N 3.23Å; D273-Y276 VanDerWaalsContact CA-O 3.31Å; D273-Y276 WeakPolarHBondContact CA-O 3.36Å | ||
| 277 | A | 94.1 | Very high | 82.8 | Confident | 60 Ų | 60 | 97.8 Ų | 97.8 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | trans | -140.5 | 144.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T279 | A277-T279 HydrophobicContact CB-CG2 4Š| ||
| 278 | V | 94.9 | Very high | 82 | Confident | 25 Ų | 25 | 100.4 Ų | 100.4 | 15% | 0.152 | 60% | 0.599 | C | S | . | * | trans | -103.3 | 107 | 170 | -176.7 | 0 | 0 | 0 | 0 | 107 | E167 Q170 L171 R174 | E167-V278 HydrophobicContact CB-CG1 4.17Å; E167-V278 HydrophobicContact CG-CG1 4.46Å; Q170-V278 HydrophobicContact CB-CG1 4.24Å; Q170-V278 VanDerWaalsContact OE1-CG2 3.23Å; L171-V278 HydrophobicContact CD2-CG1 4.01Å; L171-V278 HydrophobicContact CG-CG1 3.96Å; R174-V278 PolarHBondContact NH1-O 3.36Å | ||
| 279 | T | 93.2 | Very high | 81.5 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 64% | 0.638 | 61% | 0.613 | S | S | * | * | trans | -118.4 | 138.6 | -171.2 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | A277 | A277-T279 HydrophobicContact CB-CG2 4Š| ||
| 280 | A | 90.8 | Very high | 80.8 | Confident | 43 Ų | 43 | 103.2 Ų | 103.2 | 36% | 0.355 | 61% | 0.607 | S | S | . | * | trans | -81.6 | 127.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L145 L171 | L145-A280 HydrophobicContact CD1-CB 3.9Å; L171-A280 HydrophobicContact CD1-CB 4.4Å; L171-A280 HydrophobicContact CD2-CB 4.17Å | ||
| 281 | V | 85.3 | Confident | 79.8 | Confident | 139 Ų | 139 | 102 Ų | 102 | 84% | 0.842 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -77.7 | -29.7 | -176 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 282 | Q | 68.2 | Low | 78.8 | Confident | 158 Ų | 158 | 105.3 Ų | 105.3 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | trans | -135.5 | 121.9 | 175.3 | -69.3 | -178.4 | -10 | 0 | 0 | 109.7 | G284 | Q282-G284 PolarHBondContact O-N 2.96Š| ||
| 283 | Q | 53.8 | Low | 77.4 | Confident | 172 Ų | 172 | 104.1 Ų | 104.1 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -80.5 | 96.8 | 158.5 | -64.5 | -163.6 | 16.9 | 0 | 0 | 105.6 | S285 | Q283-S285 PolarHBondContact O-N 3.2Š| ||
| 284 | G | 46.8 | Very low | 76.2 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 51% | 0.505 | 66% | 0.661 | S | S | . | * | trans | -51 | 129.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q282 G286 | Q282-G284 PolarHBondContact O-N 2.96Å; G284-G286 PolarHBondContact O-N 3.35Å | ||
| 285 | S | 35.3 | Very low | 74.4 | Confident | 122 Ų | 122 | 104.4 Ų | 104.4 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -55.1 | 118.6 | 165.8 | 38.3 | 0 | 0 | 0 | 0 | 107.7 | Q283 | Q283-S285 PolarHBondContact O-N 3.2Š| ||
| 286 | G | 36 | Very low | 72.3 | Confident | 151 Ų | 151 | 103 Ų | 103 | 100% | 1.557 | 67% | 0.67 | S | S | * | * | trans | -60 | 0 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G284 | G284-G286 PolarHBondContact O-N 3.35Š|
Retrieved 286 of 286 residues in 134.6 ms
(Link to these results)