| 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 | 35.9 | Very low | 49.9 | Very low | 246 Ų | 246 | 146.4 Ų | 146.4 | 100% | 1.212 | 79% | 0.793 | S | S | * | * | 0 | 106.7 | 0 | -78.2 | -126.6 | -84.2 | 0 | 0 | 110.1 | |||||
| 2 | G | 43.1 | Very low | 52.8 | Low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 72.1 | 44.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 3 | K | 44.7 | Very low | 55.7 | Low | 209 Ų | 209 | 134.6 Ų | 134.6 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -102.8 | 33.8 | 168.2 | -89 | -167 | 178.6 | -178.2 | 0 | 114 | ||||
| 4 | L | 51.7 | Low | 58.4 | Low | 155 Ų | 155 | 125 Ų | 125 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -144.3 | 37.6 | -177.5 | -142.6 | 87.5 | 0 | 0 | 0 | 115.8 | ||
| 5 | F | 48.5 | Very low | 60.8 | Low | 174 Ų | 174 | 119.9 Ų | 119.9 | 76% | 0.763 | 64% | 0.636 | S | S | * | * | trans | -126.2 | 9 | 174.6 | -84 | -74.9 | 0 | 0 | 0 | 116 | L8 | F5-L8 HydrophobicContact CD1-CD1 3.89Å; F5-L8 HydrophobicContact CE1-CD1 4.11Å | ||
| 6 | S | 47 | Very low | 63.1 | Low | 122 Ų | 122 | 112.5 Ų | 112.5 | 85% | 0.853 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.1 | 178.1 | 58.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 7 | K | 49.3 | Very low | 65.1 | Low | 210 Ų | 210 | 105.9 Ų | 105.9 | 91% | 0.913 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 7.5 | 174.4 | -88 | -168.6 | 176.2 | -177.2 | 0 | 114.6 | ||
| 8 | L | 48.7 | Very low | 67 | Low | 103 Ų | 103 | 100 Ų | 100 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -104.8 | 119.5 | -178.9 | -70.1 | 168 | 0 | 0 | 0 | 109.9 | F5 | F5-L8 HydrophobicContact CD1-CD1 3.89Å; F5-L8 HydrophobicContact CE1-CD1 4.11Å |
| 9 | F | 57.2 | Low | 68.7 | Low | 197 Ų | 197 | 94.7 Ų | 94.7 | 86% | 0.864 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 93.3 | 11.6 | 162 | -50.6 | -72 | 0 | 0 | 0 | 120.9 | S11 | F9-S11 PolarHBondContact O-N 2.82Š|
| 10 | G | 57.2 | Low | 70.2 | Confident | 74 Ų | 74 | 90 Ų | 90 | 76% | 0.763 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 116.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | K12 | G10-K12 PolarHBondContact O-N 3.17Š|
| 11 | S | 65.8 | Low | 71.5 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 30% | 0.301 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 124.7 | 166.9 | 56.5 | 0 | 0 | 0 | 0 | 108.1 | F9 E13 R58 | F9-S11 PolarHBondContact O-N 2.82Å; S11-E13 PolarHBondContact O-N 3.02Å; S11-R58 PolarHBondContact OG-NE 2.97Å; S11-R58 PolarHBondContact OG-NH1 2.89Å; S11-R58 PolarHBondContact OG-NH2 3.07Å; S11-R58 VanDerWaalsContact OG-NH2 3.15Å |
| 12 | K | 84.8 | Confident | 74.4 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 127.5 | 179.6 | 175.6 | -174 | 155.3 | -164.8 | 0 | 109 | G10 M14 N56 V57 R58 N170 Y173 | G10-K12 PolarHBondContact O-N 3.17Å; K12-M14 WeakPolarHBondContact CE-SD 3.39Å; K12-M14 PolarHBondContact NZ-SD 3.3Å; K12-N56 PolarHBondContact N-O 3.48Å; K12-V57 HydrophobicContact CB-CG1 4.44Å; K12-V57 HydrophobicContact CB-CG2 4.26Å; K12-V57 HydrophobicContact CD-CG1 4.32Å; K12-V57 HydrophobicContact CD-CG2 4.01Å; K12-V57 HydrophobicContact CG-CG1 4.27Å; K12-V57 CarbonylContact O-C 3.55Å; K12-V57 VanDerWaalsContact O-CA 3.31Å; K12-V57 WeakPolarHBondContact O-CA 3.44Å; K12-V57 WeakPolarHBondContact O-CG1 3.34Å; K12-R58 PolarHBondContact O-N 3.37Å; K12-N170 PolarHBondContact NZ-OD1 3.22Å; K12-Y173 HydrophobicContact CD-CE1 4.32Å; K12-Y173 HydrophobicContact CD-CE2 4.3Å; K12-Y173 VanDerWaalsContact CE-CE1 3.4Å; K12-Y173 WeakPolarHBondContact CE-OH 3.15Å |
| 13 | E | 90.5 | Very high | 77 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.1 | 175.5 | -57 | -157.6 | 159.6 | 0 | 0 | 110.9 | S11 R58 N60 | S11-E13 PolarHBondContact O-N 3.02Å; E13-R58 CarbonylContact C-O 3.52Å; E13-R58 VanDerWaalsContact CA-O 3.32Å; E13-R58 WeakPolarHBondContact CA-O 3.47Å; E13-R58 HydrophobicContact CG-CB 4.28Å; E13-R58 IonicContact OE1-CZ 2.83Å; E13-R58 IonicContact OE1-NE 3.16Å; E13-R58 PolarHBondContact OE1-NE 2.79Å; E13-R58 IonicContact OE1-NH2 3.1Å; E13-R58 PolarHBondContact OE1-NH2 2.93Å; E13-N60 PolarHBondContact OE2-ND2 2.91Å |
| 14 | M | 92.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.5 | 176.2 | -70.8 | -179.8 | 56.2 | 0 | 0 | 110.5 | K12 I16 V57 R58 F59 N60 Q82 L169 Y173 | K12-M14 WeakPolarHBondContact CE-SD 3.39Å; K12-M14 PolarHBondContact NZ-SD 3.3Å; M14-I16 HydrophobicContact CB-CD1 4.35Å; M14-I16 HydrophobicContact CB-CG1 4.47Å; M14-I16 HydrophobicContact CE-CD1 4.02Å; M14-V57 HydrophobicContact CG-CG1 4.02Å; M14-V57 HydrophobicContact SD-CG1 3.88Å; M14-R58 PolarHBondContact N-O 3.16Å; M14-F59 HydrophobicContact CB-CD1 3.97Å; M14-F59 HydrophobicContact CB-CE1 4.3Å; M14-F59 HydrophobicContact CE-CD1 4.45Å; M14-F59 HydrophobicContact CE-CE1 3.91Å; M14-F59 CarbonylContact O-C 3.58Å; M14-F59 WeakPolarHBondContact O-CA 3.31Å; M14-F59 HydrophobicContact SD-CD1 4.34Å; M14-F59 HydrophobicContact SD-CE1 3.7Å; M14-F59 HydrophobicContact SD-CZ 4.34Å; M14-N60 PolarHBondContact O-N 3.33Å; M14-Q82 VanDerWaalsContact CA-OE1 3.26Å; M14-L169 HydrophobicContact CE-CG 4.25Å; M14-Y173 HydrophobicContact CE-CD2 4.22Å; M14-Y173 HydrophobicContact CE-CG 3.85Å; M14-Y173 HydrophobicContact CG-CD2 4.38Å; M14-Y173 HydrophobicContact SD-CD1 4.44Å; M14-Y173 HydrophobicContact SD-CD2 4.03Å; M14-Y173 HydrophobicContact SD-CG 3.82Å |
| 15 | R | 95.4 | Very high | 81.7 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 19% | 0.185 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.4 | 171.8 | -175.9 | 171.3 | -175.8 | -83.7 | -1.5 | 109.5 | Y77 T79 G80 S81 Q82 | R15-Y77 VanDerWaalsContact CZ-O 3.28Å; R15-Y77 PolarHBondContact NH1-O 2.82Å; R15-Y77 PolarHBondContact NH2-O 2.86Å; R15-T79 VanDerWaalsContact CZ-O 3.3Å; R15-T79 PolarHBondContact NH1-O 3.1Å; R15-G80 WeakPolarHBondContact CB-O 3.23Å; R15-S81 VanDerWaalsContact NH1-N 3.1Å; R15-S81 PolarHBondContact NH1-OG 3.34Å; R15-Q82 PolarHBondContact O-N 3.05Å |
| 16 | I | 97.3 | Very high | 84 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.8 | -178.5 | -60.1 | -53.9 | 0 | 0 | 0 | 109.4 | M14 F59 N60 V61 W62 G83 I85 L169 | M14-I16 HydrophobicContact CB-CD1 4.35Å; M14-I16 HydrophobicContact CB-CG1 4.47Å; M14-I16 HydrophobicContact CE-CD1 4.02Å; I16-F59 HydrophobicContact CD1-CD1 4.36Å; I16-F59 HydrophobicContact CG1-CB 4.41Å; I16-F59 HydrophobicContact CG1-CD1 3.76Å; I16-N60 PolarHBondContact N-O 3.42Å; I16-V61 HydrophobicContact CB-CG2 4.34Å; I16-V61 CarbonylContact O-C 3.57Å; I16-V61 WeakPolarHBondContact O-CA 3.22Å; I16-W62 PolarHBondContact O-N 2.96Å; I16-G83 WeakPolarHBondContact CA-O 3.1Å; I16-I85 HydrophobicContact CG2-CB 4.28Å; I16-I85 HydrophobicContact CG2-CD1 3.65Å; I16-I85 HydrophobicContact CG2-CG1 3.63Å; I16-L169 HydrophobicContact CD1-CD1 4.48Å; I16-L169 HydrophobicContact CD1-CD2 3.71Å; I16-L169 HydrophobicContact CD1-CG 4.33Å; I16-L169 HydrophobicContact CG1-CD2 4.01Å |
| 17 | L | 97.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.9 | 170.7 | -170.6 | 60.1 | 0 | 0 | 0 | 108.9 | L19 W62 V64 Y77 F78 S81 G83 L84 I85 | L17-L19 HydrophobicContact CD1-CD2 4.1Å; L17-L19 HydrophobicContact CD1-CG 4.47Å; L17-L19 HydrophobicContact CD2-CD1 3.66Å; L17-L19 HydrophobicContact CD2-CD2 4.35Å; L17-L19 HydrophobicContact CD2-CG 4.08Å; L17-L19 HydrophobicContact CG-CD1 3.96Å; L17-L19 HydrophobicContact CG-CD2 3.97Å; L17-L19 HydrophobicContact CG-CG 3.79Å; L17-W62 HydrophobicContact CD1-CB 3.77Å; L17-V64 HydrophobicContact CD1-CG2 3.82Å; L17-Y77 HydrophobicContact CD1-CG 4.49Å; L17-F78 HydrophobicContact CD2-CD1 3.48Å; L17-F78 VanDerWaalsContact CD2-CD1 3.48Å; L17-F78 HydrophobicContact CD2-CE1 3.88Å; L17-S81 WeakPolarHBondContact CB-OG 3.44Å; L17-G83 PolarHBondContact N-O 3.13Å; L17-L84 CarbonylContact O-C 3.56Å; L17-L84 WeakPolarHBondContact O-CA 3.2Å; L17-I85 PolarHBondContact O-N 2.58Å |
| 18 | M | 98.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 108.2 | 178.7 | -172.5 | -179.9 | -69.1 | 0 | 0 | 109.9 | K26 I29 V61 W62 V64 I85 V87 | M18-K26 HydrophobicContact CG-CB 4.15Å; M18-K26 HydrophobicContact CG-CD 4.43Å; M18-K26 HydrophobicContact CG-CG 4.26Å; M18-K26 HydrophobicContact SD-CB 3.93Å; M18-K26 VanDerWaalsContact SD-O 3.42Å; M18-I29 HydrophobicContact CE-CG2 3.83Å; M18-I29 HydrophobicContact SD-CB 4.46Å; M18-I29 HydrophobicContact SD-CG2 4.37Å; M18-V61 HydrophobicContact CB-CG1 3.89Å; M18-V61 HydrophobicContact CE-CG1 3.66Å; M18-V61 HydrophobicContact SD-CG1 4.44Å; M18-W62 PolarHBondContact N-O 2.83Å; M18-V64 PolarHBondContact O-N 2.78Å; M18-I85 CarbonylContact C-O 3.52Å; M18-I85 VanDerWaalsContact CA-O 3.29Å; M18-I85 WeakPolarHBondContact CA-O 3.49Å; M18-I85 HydrophobicContact CB-CB 4.34Å; M18-I85 HydrophobicContact CE-CB 4.37Å; M18-I85 HydrophobicContact CE-CD1 3.9Å; M18-I85 HydrophobicContact CE-CG2 4.08Å; M18-I85 HydrophobicContact CG-CB 4.13Å; M18-I85 HydrophobicContact CG-CG2 3.99Å; M18-V87 HydrophobicContact CG-CG2 4.02Å; M18-V87 HydrophobicContact SD-CG2 4.36Å |
| 19 | L | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 176.7 | -176.5 | -54.8 | 178.6 | 0 | 0 | 0 | 111.1 | L17 K26 V64 W74 F78 L84 I85 F86 V87 I106 | L17-L19 HydrophobicContact CD1-CD2 4.1Å; L17-L19 HydrophobicContact CD1-CG 4.47Å; L17-L19 HydrophobicContact CD2-CD1 3.66Å; L17-L19 HydrophobicContact CD2-CD2 4.35Å; L17-L19 HydrophobicContact CD2-CG 4.08Å; L17-L19 HydrophobicContact CG-CD1 3.96Å; L17-L19 HydrophobicContact CG-CD2 3.97Å; L17-L19 HydrophobicContact CG-CG 3.79Å; L19-K26 VanDerWaalsContact C-CD 3.42Å; L19-K26 WeakPolarHBondContact O-CD 3.37Å; L19-V64 HydrophobicContact CD2-CB 3.69Å; L19-V64 HydrophobicContact CD2-CG2 3.88Å; L19-W74 HydrophobicContact CB-CD2 4.5Å; L19-W74 HydrophobicContact CB-CH2 4.43Å; L19-W74 HydrophobicContact CB-CZ2 4.41Å; L19-W74 HydrophobicContact CB-CZ3 4.48Å; L19-W74 HydrophobicContact CD1-CB 4.18Å; L19-W74 HydrophobicContact CD1-CD2 4.02Å; L19-W74 HydrophobicContact CD1-CE3 3.98Å; L19-W74 HydrophobicContact CD1-CG 4.16Å; L19-W74 HydrophobicContact CD2-CB 4.37Å; L19-W74 HydrophobicContact CD2-CD2 3.93Å; L19-W74 HydrophobicContact CD2-CG 3.82Å; L19-W74 HydrophobicContact CG-CD2 4.37Å; L19-F78 HydrophobicContact CD1-CE1 4Å; L19-L84 HydrophobicContact CB-CD1 4.07Å; L19-L84 HydrophobicContact CD1-CD1 3.95Å; L19-L84 HydrophobicContact CG-CD1 3.98Å; L19-I85 PolarHBondContact N-O 3.35Å; L19-F86 HydrophobicContact CB-CD2 4.25Å; L19-F86 CarbonylContact O-C 3.57Å; L19-F86 WeakPolarHBondContact O-CA 3.41Å; L19-V87 PolarHBondContact O-N 3.45Å; L19-I106 HydrophobicContact CB-CD1 4.18Å; L19-I106 HydrophobicContact CD1-CD1 3.53Å; L19-I106 HydrophobicContact CD1-CG1 3.98Å; L19-I106 HydrophobicContact CD1-CG2 4.28Å |
| 20 | G | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 137.4 | 165.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110 | K26 G66 W74 | G20-K26 PolarHBondContact O-NZ 2.71Å; G20-G66 WeakPolarHBondContact O-CA 3.48Å; G20-W74 WeakPolarHBondContact O-CZ2 3.29Å | ||
| 21 | L | 98.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -60.8 | 163.7 | -178.5 | -51.1 | -173.5 | 0 | 0 | 0 | 111.8 | A24 K26 R95 E98 A99 E102 | L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 2.99Å; L21-K26 PolarHBondContact O-NZ 3.49Å; L21-R95 HydrophobicContact CD1-CB 3.64Å; L21-R95 WeakPolarHBondContact CD1-O 3.4Å; L21-E98 HydrophobicContact CD1-CB 4.25Å; L21-E98 HydrophobicContact CD1-CG 4.19Å; L21-E98 HydrophobicContact CD2-CG 4.09Å; L21-A99 HydrophobicContact CD1-CB 3.89Å; L21-A99 HydrophobicContact CG-CB 4.03Å; L21-E102 HydrophobicContact CD2-CG 3.84Å |
| 22 | D | 96.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 23.7 Ų | 23.7 | 24% | 0.241 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 153.3 | 169 | 56.9 | -76.3 | 0 | 0 | 0 | 111.5 | A24 G66 Q67 R71 R95 | D22-A24 PolarHBondContact O-N 3.19Å; D22-G66 PolarHBondContact N-O 3.39Å; D22-G66 VanDerWaalsContact N-O 3.12Å; D22-Q67 HydrophobicContact CB-CG 4.16Å; D22-R71 IonicContact OD1-NH2 2.63Å; D22-R71 PolarHBondContact OD1-NH2 3.36Å; D22-R95 VanDerWaalsContact CG-NH1 3.34Å; D22-R95 PolarHBondContact O-NH2 3.4Å; D22-R95 IonicContact OD1-NH1 2.6Å; D22-R95 PolarHBondContact OD1-NH1 3.1Å; D22-R95 IonicContact OD2-CZ 3.76Å; D22-R95 IonicContact OD2-NH1 2.75Å; D22-R95 PolarHBondContact OD2-NH1 2.87Å |
| 23 | A | 96.5 | Very high | 96.9 | Very high | 68 Ų | 68 | 22.2 Ų | 22.2 | 56% | 0.562 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 2.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G25 K123 | A23-G25 PolarHBondContact O-N 2.95Å; A23-K123 VanDerWaalsContact O-CE 3.28Å; A23-K123 WeakPolarHBondContact O-CE 3.41Å; A23-K123 PolarHBondContact O-NZ 2.86Å |
| 24 | A | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -65.6 | -18.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L21 D22 V87 N122 | L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 2.99Å; D22-A24 PolarHBondContact O-N 3.19Å; A24-V87 HydrophobicContact CB-CB 4.29Å; A24-V87 HydrophobicContact CB-CG1 4.05Å; A24-V87 WeakPolarHBondContact CB-O 3.4Å; A24-V87 WeakPolarHBondContact O-CG1 3.42Å; A24-N122 PolarHBondContact O-ND2 2.97Å |
| 25 | G | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 100.2 | 21.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A23 T28 I29 | A23-G25 PolarHBondContact O-N 2.95Å; G25-T28 WeakPolarHBondContact O-CB 3.13Å; G25-T28 PolarHBondContact O-N 3.2Å; G25-I29 WeakPolarHBondContact O-CG1 3.42Å; G25-I29 PolarHBondContact O-N 2.94Å |
| 26 | K | 97.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.4 | -55.9 | 178.7 | -59.2 | -175.5 | -64.2 | -73.5 | 0 | 113 | M18 L19 G20 L21 T28 I29 L30 D63 V64 V87 | M18-K26 HydrophobicContact CG-CB 4.15Å; M18-K26 HydrophobicContact CG-CD 4.43Å; M18-K26 HydrophobicContact CG-CG 4.26Å; M18-K26 HydrophobicContact SD-CB 3.93Å; M18-K26 VanDerWaalsContact SD-O 3.42Å; L19-K26 VanDerWaalsContact C-CD 3.42Å; L19-K26 WeakPolarHBondContact O-CD 3.37Å; G20-K26 PolarHBondContact O-NZ 2.71Å; L21-K26 PolarHBondContact O-NZ 3.49Å; K26-T28 VanDerWaalsContact C-N 3.28Å; K26-T28 PolarHBondContact O-N 3.14Å; K26-I29 WeakPolarHBondContact O-CB 3.31Å; K26-I29 PolarHBondContact O-N 3.49Å; K26-I29 VanDerWaalsContact O-N 3.08Å; K26-L30 PolarHBondContact O-N 3.16Å; K26-D63 WeakPolarHBondContact CB-OD1 3.38Å; K26-V64 WeakPolarHBondContact CE-O 3.47Å; K26-V87 HydrophobicContact CB-CG2 4.47Å; K26-V87 HydrophobicContact CG-CB 3.79Å; K26-V87 HydrophobicContact CG-CG1 4.46Å; K26-V87 HydrophobicContact CG-CG2 3.75Å |
| 27 | T | 96.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 178.5 | -49 | 0 | 0 | 0 | 0 | 112.3 | L30 Y31 T41 T44 D63 | T27-L30 PolarHBondContact O-N 2.94Å; T27-Y31 HydrophobicContact CG2-CD2 3.66Å; T27-Y31 HydrophobicContact CG2-CE2 3.41Å; T27-Y31 VanDerWaalsContact CG2-CE2 3.41Å; T27-Y31 WeakPolarHBondContact O-CD2 3.38Å; T27-Y31 PolarHBondContact O-N 2.85Å; T27-T41 HydrophobicContact CG2-CG2 3.76Å; T27-T44 PolarHBondContact OG1-OG1 3.01Å; T27-D63 WeakPolarHBondContact CA-OD2 3.42Å; T27-D63 WeakPolarHBondContact CB-OD2 3.31Å; T27-D63 PolarHBondContact OG1-OD2 3.26Å |
| 28 | T | 97.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 31 Ų | 31 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 173.3 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | G25 K26 R32 A156 I157 | G25-T28 WeakPolarHBondContact O-CB 3.13Å; G25-T28 PolarHBondContact O-N 3.2Å; K26-T28 VanDerWaalsContact C-N 3.28Å; K26-T28 PolarHBondContact O-N 3.14Å; T28-R32 WeakPolarHBondContact O-CB 3.47Å; T28-R32 PolarHBondContact O-N 3Å; T28-A156 HydrophobicContact CG2-CB 3.89Å; T28-I157 HydrophobicContact CG2-CG2 3.88Å |
| 29 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 174.9 | -70.2 | 170.5 | 0 | 0 | 0 | 110.2 | M18 G25 K26 Y31 R32 L33 V87 F120 A156 L162 | M18-I29 HydrophobicContact CE-CG2 3.83Å; M18-I29 HydrophobicContact SD-CB 4.46Å; M18-I29 HydrophobicContact SD-CG2 4.37Å; G25-I29 WeakPolarHBondContact O-CG1 3.42Å; G25-I29 PolarHBondContact O-N 2.94Å; K26-I29 WeakPolarHBondContact O-CB 3.31Å; K26-I29 PolarHBondContact O-N 3.49Å; K26-I29 VanDerWaalsContact O-N 3.08Å; I29-Y31 PolarHBondContact O-N 3.04Å; I29-R32 PolarHBondContact O-N 3.01Å; I29-L33 HydrophobicContact CG2-CD1 3.85Å; I29-L33 HydrophobicContact CG2-CG 4.48Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 3.27Å; I29-V87 HydrophobicContact CD1-CB 4.43Å; I29-V87 HydrophobicContact CD1-CG1 3.65Å; I29-V87 HydrophobicContact CD1-CG2 3.83Å; I29-F120 HydrophobicContact CD1-CB 4.09Å; I29-F120 HydrophobicContact CD1-CD2 3.85Å; I29-F120 HydrophobicContact CD1-CG 4.12Å; I29-F120 HydrophobicContact CG2-CD2 4.4Å; I29-F120 HydrophobicContact CG2-CE2 4.16Å; I29-A156 HydrophobicContact CD1-CB 4.41Å; I29-A156 HydrophobicContact CG1-CB 3.44Å; I29-A156 VanDerWaalsContact CG1-CB 3.44Å; I29-L162 HydrophobicContact CD1-CD2 4.39Å; I29-L162 HydrophobicContact CG1-CD2 3.98Å; I29-L162 HydrophobicContact CG2-CD1 4.37Å; I29-L162 HydrophobicContact CG2-CD2 4.09Å |
| 30 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | -179 | -176.9 | 58 | 0 | 0 | 0 | 111.5 | K26 T27 L33 K34 N48 E50 V52 V61 D63 | K26-L30 PolarHBondContact O-N 3.16Å; T27-L30 PolarHBondContact O-N 2.94Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-K34 VanDerWaalsContact O-CB 3.29Å; L30-K34 WeakPolarHBondContact O-CB 3.17Å; L30-K34 PolarHBondContact O-N 3.46Å; L30-N48 WeakPolarHBondContact CD2-ND2 3.42Å; L30-E50 HydrophobicContact CD1-CB 3.9Å; L30-E50 HydrophobicContact CD2-CB 4.08Å; L30-E50 HydrophobicContact CD2-CG 4.02Å; L30-E50 HydrophobicContact CG-CB 4.17Å; L30-E50 HydrophobicContact CG-CG 4.33Å; L30-V52 HydrophobicContact CD1-CG2 3.99Å; L30-V61 HydrophobicContact CD1-CB 3.77Å; L30-V61 HydrophobicContact CD1-CG1 3.82Å; L30-V61 HydrophobicContact CD1-CG2 4.32Å; L30-D63 HydrophobicContact CD2-CB 3.61Å |
| 31 | Y | 96.1 | Very high | 93.6 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.9 | -32.8 | -179.5 | -69.5 | -38.3 | 0 | 0 | 0 | 113 | T27 I29 L33 K34 L35 V39 | T27-Y31 HydrophobicContact CG2-CD2 3.66Å; T27-Y31 HydrophobicContact CG2-CE2 3.41Å; T27-Y31 VanDerWaalsContact CG2-CE2 3.41Å; T27-Y31 WeakPolarHBondContact O-CD2 3.38Å; T27-Y31 PolarHBondContact O-N 2.85Å; I29-Y31 PolarHBondContact O-N 3.04Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3.36Å; Y31-K34 PolarHBondContact O-N 3.37Å; Y31-L35 HydrophobicContact CD1-CD1 4.31Å; Y31-L35 HydrophobicContact CG-CD1 4.48Å; Y31-L35 VanDerWaalsContact O-CB 3.31Å; Y31-L35 WeakPolarHBondContact O-CB 3.42Å; Y31-L35 PolarHBondContact O-N 2.91Å; Y31-V39 HydrophobicContact CD2-CG2 3.24Å; Y31-V39 HydrophobicContact CE2-CG2 3.96Å; Y31-V39 HydrophobicContact CG-CG2 3.74Å |
| 32 | R | 96.8 | Very high | 93 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 172.1 | -174.8 | 68.1 | 175.9 | -168.4 | 6.5 | 111.5 | T28 I29 G36 S37 S38 A156 I157 K158 L162 | T28-R32 WeakPolarHBondContact O-CB 3.47Å; T28-R32 PolarHBondContact O-N 3Å; I29-R32 PolarHBondContact O-N 3.01Å; R32-G36 WeakPolarHBondContact O-CA 3.49Å; R32-G36 PolarHBondContact O-N 3.01Å; R32-S37 WeakPolarHBondContact CA-O 3.46Å; R32-S38 PolarHBondContact NH1-OG 2.88Å; R32-A156 VanDerWaalsContact CG-O 3.27Å; R32-A156 WeakPolarHBondContact CG-O 3.46Å; R32-I157 PolarHBondContact NH1-O 3.34Å; R32-I157 VanDerWaalsContact NH1-O 3.12Å; R32-K158 VanDerWaalsContact CZ-C 3.48Å; R32-K158 PolarHBondContact NH2-O 3.26Å; R32-L162 HydrophobicContact CB-CD1 3.89Å; R32-L162 HydrophobicContact CG-CD1 3.67Å |
| 33 | L | 96 | Very high | 92.6 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 177.8 | -75.1 | 172.8 | 0 | 0 | 0 | 112.7 | I29 L30 Y31 V52 L162 Y163 L166 | I29-L33 HydrophobicContact CG2-CD1 3.85Å; I29-L33 HydrophobicContact CG2-CG 4.48Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 3.27Å; L30-L33 PolarHBondContact O-N 3.23Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3.36Å; L33-V52 HydrophobicContact CB-CG1 3.86Å; L33-V52 HydrophobicContact CB-CG2 4.08Å; L33-L162 HydrophobicContact CD2-CB 3.81Å; L33-L162 HydrophobicContact CD2-CD1 4.34Å; L33-L162 HydrophobicContact CG-CB 4.33Å; L33-L162 HydrophobicContact CG-CD1 4.14Å; L33-Y163 HydrophobicContact CD2-CD1 4.19Å; L33-Y163 HydrophobicContact CD2-CE1 3.97Å; L33-L166 HydrophobicContact CD1-CD1 4.05Å; L33-L166 HydrophobicContact CD1-CD2 4.39Å; L33-L166 HydrophobicContact CD1-CG 4.37Å; L33-L166 HydrophobicContact CD2-CD1 3.66Å; L33-L166 HydrophobicContact CD2-CG 4.37Å; L33-L166 HydrophobicContact CG-CD1 4.45Å |
| 34 | K | 94.5 | Very high | 92 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -78.5 | -43.2 | -177.6 | 179.3 | 59.8 | -179.2 | -122.4 | 0 | 113.3 | L30 Y31 E50 T51 V52 | L30-K34 VanDerWaalsContact O-CB 3.29Å; L30-K34 WeakPolarHBondContact O-CB 3.17Å; L30-K34 PolarHBondContact O-N 3.46Å; Y31-K34 PolarHBondContact O-N 3.37Å; K34-E50 WeakPolarHBondContact CE-OE2 3.22Å; K34-E50 IonicContact NZ-OE2 2.66Å; K34-E50 PolarHBondContact NZ-OE2 2.85Å; K34-T51 WeakPolarHBondContact CD-O 3.25Å; K34-T51 PolarHBondContact NZ-O 3.3Å; K34-V52 HydrophobicContact CB-CG2 4.42Å |
| 35 | L | 93.4 | Very high | 91.2 | Very high | 98 Ų | 98 | 56 Ų | 56 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -108.6 | -10.2 | -168.7 | -55.1 | 176.3 | 0 | 0 | 0 | 112.8 | Y31 S37 V39 | Y31-L35 HydrophobicContact CD1-CD1 4.31Å; Y31-L35 HydrophobicContact CG-CD1 4.48Å; Y31-L35 VanDerWaalsContact O-CB 3.31Å; Y31-L35 WeakPolarHBondContact O-CB 3.42Å; Y31-L35 PolarHBondContact O-N 2.91Å; L35-S37 PolarHBondContact O-N 3.47Å; L35-V39 HydrophobicContact CD1-CG1 4.07Å |
| 36 | G | 90.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 72.8 | -4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R32 | R32-G36 WeakPolarHBondContact O-CA 3.49Å; R32-G36 PolarHBondContact O-N 3.01Å |
| 37 | S | 85.8 | Confident | 90.6 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -134.1 | 158.2 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 111 | R32 L35 | R32-S37 WeakPolarHBondContact CA-O 3.46Å; L35-S37 PolarHBondContact O-N 3.47Å |
| 38 | S | 81.1 | Confident | 90.3 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | trans | -91.7 | 129.7 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 108.5 | R32 I157 | R32-S38 PolarHBondContact NH1-OG 2.88Å; S38-I157 VanDerWaalsContact OG-CA 3.29Å; S38-I157 WeakPolarHBondContact OG-CA 3.44Å; S38-I157 PolarHBondContact OG-O 2.66Å | ||
| 39 | V | 84.4 | Confident | 90.2 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | trans | -105.7 | 152.6 | 172.3 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | Y31 L35 T41 | Y31-V39 HydrophobicContact CD2-CG2 3.24Å; Y31-V39 HydrophobicContact CE2-CG2 3.96Å; Y31-V39 HydrophobicContact CG-CG2 3.74Å; L35-V39 HydrophobicContact CD1-CG1 4.07Å; V39-T41 PolarHBondContact O-N 3.46Å | ||
| 40 | S | 85.8 | Confident | 90 | Very high | 127 Ų | 127 | 65.7 Ų | 65.7 | 89% | 0.888 | 38% | 0.382 | S | S | * | . | trans | -61.2 | 134.3 | 171.3 | -173 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 41 | T | 85.7 | Confident | 90 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | trans | -116.3 | 137.5 | -177.3 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | T27 V39 | T27-T41 HydrophobicContact CG2-CG2 3.76Å; V39-T41 PolarHBondContact O-N 3.46Å | ||
| 42 | I | 84.9 | Confident | 90 | Very high | 147 Ų | 147 | 65.3 Ų | 65.3 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 161.7 | 164.9 | 60.2 | 172.9 | 0 | 0 | 0 | 109.7 | T44 | I42-T44 PolarHBondContact O-N 3.25Å; I42-T44 VanDerWaalsContact O-N 3.12Å |
| 43 | P | 88 | Confident | 89.8 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 66% | 0.656 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 120.2 | 174.3 | -26.2 | 35.1 | 0 | 0 | 0 | 111.5 | V45 | P43-V45 PolarHBondContact O-N 3.46Š|
| 44 | T | 84.4 | Confident | 89.6 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 17% | 0.172 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 121.6 | -179.1 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | T27 I42 Q67 | T27-T44 PolarHBondContact OG1-OG1 3.01Å; I42-T44 PolarHBondContact O-N 3.25Å; I42-T44 VanDerWaalsContact O-N 3.12Å; T44-Q67 PolarHBondContact O-NE2 2.78Å; T44-Q67 PolarHBondContact O-OE1 2.74Å |
| 45 | V | 82.6 | Confident | 89.3 | Confident | 132 Ų | 132 | 70.4 Ų | 70.4 | 80% | 0.8 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -99.8 | 116.9 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | P43 | P43-V45 PolarHBondContact O-N 3.46Š|
| 46 | G | 89.8 | Confident | 89 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 26% | 0.258 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 82.9 | -121.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G65 | G46-G65 PolarHBondContact O-N 2.96Š|
| 47 | F | 92.3 | Very high | 89 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.8 | -177 | 72.2 | -81.5 | 0 | 0 | 0 | 112.5 | V49 W62 D63 V64 Y77 | F47-V49 HydrophobicContact CD2-CG2 3.56Å; F47-V49 HydrophobicContact CE2-CG2 3.54Å; F47-W62 AromaticContact CD2-CE3 3.73Å; F47-W62 HydrophobicContact CD2-CE3 3.73Å; F47-W62 AromaticContact CD2-CZ3 3.85Å; F47-W62 HydrophobicContact CD2-CZ3 3.85Å; F47-W62 AromaticContact CE2-CE3 3.82Å; F47-W62 HydrophobicContact CE2-CE3 3.82Å; F47-W62 HydrophobicContact CE2-CH2 4.33Å; F47-W62 AromaticContact CE2-CZ3 3.43Å; F47-W62 HydrophobicContact CE2-CZ3 3.43Å; F47-W62 VanDerWaalsContact CE2-CZ3 3.43Å; F47-W62 HydrophobicContact CZ-CZ3 4.02Å; F47-D63 CarbonylContact C-O 3.58Å; F47-D63 WeakPolarHBondContact CA-O 3.47Å; F47-D63 WeakPolarHBondContact CB-O 3.4Å; F47-V64 HydrophobicContact CB-CB 4.44Å; F47-V64 HydrophobicContact CB-CG1 4.39Å; F47-V64 HydrophobicContact CB-CG2 4.09Å; F47-Y77 AromaticContact CD1-CE1 3.74Å; F47-Y77 HydrophobicContact CD1-CE1 3.74Å; F47-Y77 AromaticContact CD1-CZ 3.68Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.45Å; F47-Y77 AromaticContact CE1-CE1 3.97Å; F47-Y77 HydrophobicContact CE1-CE1 3.97Å; F47-Y77 HydrophobicContact CG-CE1 4.04Å; F47-Y77 HydrophobicContact CZ-CE1 4.47Å |
| 48 | N | 91 | Very high | 89.4 | Confident | 41 Ų | 41 | 71 Ų | 71 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.2 | 168.3 | -175.8 | 42.1 | 0 | 0 | 0 | 109.3 | L30 E50 D63 | L30-N48 WeakPolarHBondContact CD2-ND2 3.42Å; N48-E50 WeakPolarHBondContact ND2-CG 3.33Å; N48-D63 PolarHBondContact N-O 3.23Å; N48-D63 PolarHBondContact O-N 2.8Å |
| 49 | V | 94.4 | Very high | 90 | Very high | 52 Ų | 52 | 68.9 Ų | 68.9 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.1 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | F47 V61 W62 | F47-V49 HydrophobicContact CD2-CG2 3.56Å; F47-V49 HydrophobicContact CE2-CG2 3.54Å; V49-V61 WeakPolarHBondContact CA-O 3.4Å; V49-W62 HydrophobicContact CG1-CD2 4.38Å; V49-W62 HydrophobicContact CG1-CG 4.49Å; V49-W62 HydrophobicContact CG2-CD2 3.52Å; V49-W62 HydrophobicContact CG2-CE3 3.48Å; V49-W62 VanDerWaalsContact CG2-CE3 3.48Å; V49-W62 HydrophobicContact CG2-CG 4.07Å; V49-W62 HydrophobicContact CG2-CH2 4.1Å; V49-W62 HydrophobicContact CG2-CZ2 4.14Å; V49-W62 HydrophobicContact CG2-CZ3 3.78Å |
| 50 | E | 96 | Very high | 90.6 | Very high | 51 Ų | 51 | 67.7 Ų | 67.7 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.6 | 176.6 | -72.3 | -69.5 | 170.4 | 0 | 0 | 110.5 | L30 K34 N48 V61 | L30-E50 HydrophobicContact CD1-CB 3.9Å; L30-E50 HydrophobicContact CD2-CB 4.08Å; L30-E50 HydrophobicContact CD2-CG 4.02Å; L30-E50 HydrophobicContact CG-CB 4.17Å; L30-E50 HydrophobicContact CG-CG 4.33Å; K34-E50 WeakPolarHBondContact CE-OE2 3.22Å; K34-E50 IonicContact NZ-OE2 2.66Å; K34-E50 PolarHBondContact NZ-OE2 2.85Å; N48-E50 WeakPolarHBondContact ND2-CG 3.33Å; E50-V61 PolarHBondContact N-O 2.95Å; E50-V61 VanDerWaalsContact N-O 3.1Å; E50-V61 PolarHBondContact O-N 2.91Å |
| 51 | T | 96.2 | Very high | 91.2 | Very high | 53 Ų | 53 | 61.8 Ų | 61.8 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 118.2 | 166.9 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | K34 R58 F59 N60 | K34-T51 WeakPolarHBondContact CD-O 3.25Å; K34-T51 PolarHBondContact NZ-O 3.3Å; T51-R58 HydrophobicContact CG2-CB 3.83Å; T51-R58 HydrophobicContact CG2-CG 4.22Å; T51-F59 CarbonylContact C-O 3.49Å; T51-F59 WeakPolarHBondContact CA-O 3.47Å; T51-N60 PolarHBondContact OG1-OD1 3.16Å |
| 52 | V | 95.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.3 | 171.7 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | L30 L33 K34 F59 V61 L166 | L30-V52 HydrophobicContact CD1-CG2 3.99Å; L33-V52 HydrophobicContact CB-CG1 3.86Å; L33-V52 HydrophobicContact CB-CG2 4.08Å; K34-V52 HydrophobicContact CB-CG2 4.42Å; V52-F59 HydrophobicContact CB-CB 4.46Å; V52-F59 PolarHBondContact N-O 3.1Å; V52-F59 PolarHBondContact O-N 3.17Å; V52-V61 HydrophobicContact CG2-CG2 4.4Å; V52-L166 HydrophobicContact CG1-CD1 4.27Å |
| 53 | T | 93.2 | Very high | 92.2 | Very high | 96 Ų | 96 | 54.9 Ų | 54.9 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.4 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | V57 | T53-V57 WeakPolarHBondContact CA-O 3.29Å |
| 54 | Y | 91.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.3 | 172.2 | 176.5 | -105.8 | 0 | 0 | 0 | 109.6 | N56 V57 Y163 L166 T167 | Y54-N56 PolarHBondContact O-N 2.89Å; Y54-V57 PolarHBondContact N-O 2.63Å; Y54-V57 PolarHBondContact O-N 3.44Å; Y54-V57 VanDerWaalsContact O-N 3.1Å; Y54-Y163 AromaticContact CD2-CD1 3.57Å; Y54-Y163 HydrophobicContact CD2-CD1 3.57Å; Y54-Y163 HydrophobicContact CD2-CE1 4.11Å; Y54-Y163 AromaticContact CE2-CD1 3.52Å; Y54-Y163 HydrophobicContact CE2-CD1 3.52Å; Y54-Y163 HydrophobicContact CE2-CE1 4.36Å; Y54-Y163 HydrophobicContact CE2-CG 4.15Å; Y54-L166 HydrophobicContact CD1-CB 3.87Å; Y54-L166 HydrophobicContact CD1-CD1 4.49Å; Y54-L166 HydrophobicContact CE1-CB 4.22Å; Y54-L166 HydrophobicContact CG-CB 4.29Å; Y54-L166 HydrophobicContact CG-CD1 4.11Å; Y54-T167 WeakPolarHBondContact CE1-OG1 3.05Å; Y54-T167 PolarHBondContact OH-OG1 2.99Å |
| 55 | K | 88.7 | Confident | 93.1 | Very high | 128 Ų | 128 | 49 Ų | 49 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | -126.5 | -169.2 | -62.9 | 171.2 | 172.6 | 160.6 | 0 | 110 | T167 | K55-T167 PolarHBondContact NZ-OG1 3.06Š|
| 56 | N | 86.4 | Confident | 93.6 | Very high | 113 Ų | 113 | 42.7 Ų | 42.7 | 60% | 0.604 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 17.8 | -180 | 63.5 | -34.2 | 0 | 0 | 0 | 113.6 | K12 Y54 | K12-N56 PolarHBondContact N-O 3.48Å; Y54-N56 PolarHBondContact O-N 2.89Å |
| 57 | V | 90.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.1 | -173.6 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | K12 M14 T53 Y54 F59 N170 | K12-V57 HydrophobicContact CB-CG1 4.44Å; K12-V57 HydrophobicContact CB-CG2 4.26Å; K12-V57 HydrophobicContact CD-CG1 4.32Å; K12-V57 HydrophobicContact CD-CG2 4.01Å; K12-V57 HydrophobicContact CG-CG1 4.27Å; K12-V57 CarbonylContact O-C 3.55Å; K12-V57 VanDerWaalsContact O-CA 3.31Å; K12-V57 WeakPolarHBondContact O-CA 3.44Å; K12-V57 WeakPolarHBondContact O-CG1 3.34Å; M14-V57 HydrophobicContact CG-CG1 4.02Å; M14-V57 HydrophobicContact SD-CG1 3.88Å; T53-V57 WeakPolarHBondContact CA-O 3.29Å; Y54-V57 PolarHBondContact N-O 2.63Å; Y54-V57 PolarHBondContact O-N 3.44Å; Y54-V57 VanDerWaalsContact O-N 3.1Å; V57-F59 HydrophobicContact CB-CE2 3.89Å; V57-F59 HydrophobicContact CB-CZ 4.17Å; V57-F59 HydrophobicContact CG1-CD2 4.25Å; V57-F59 HydrophobicContact CG1-CE1 4.16Å; V57-F59 HydrophobicContact CG1-CE2 3.82Å; V57-F59 HydrophobicContact CG1-CZ 3.79Å; V57-N170 VanDerWaalsContact CG2-OD1 3.29Å; V57-N170 WeakPolarHBondContact CG2-OD1 3.27Å |
| 58 | R | 94.1 | Very high | 94 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 37% | 0.366 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.5 | 171 | -65.8 | -161.4 | -69 | -124.6 | 3.2 | 109.1 | S11 K12 E13 M14 T51 | S11-R58 PolarHBondContact OG-NE 2.97Å; S11-R58 PolarHBondContact OG-NH1 2.89Å; S11-R58 PolarHBondContact OG-NH2 3.07Å; S11-R58 VanDerWaalsContact OG-NH2 3.15Å; K12-R58 PolarHBondContact O-N 3.37Å; E13-R58 CarbonylContact C-O 3.52Å; E13-R58 VanDerWaalsContact CA-O 3.32Å; E13-R58 WeakPolarHBondContact CA-O 3.47Å; E13-R58 HydrophobicContact CG-CB 4.28Å; E13-R58 IonicContact OE1-CZ 2.83Å; E13-R58 IonicContact OE1-NE 3.16Å; E13-R58 PolarHBondContact OE1-NE 2.79Å; E13-R58 IonicContact OE1-NH2 3.1Å; E13-R58 PolarHBondContact OE1-NH2 2.93Å; M14-R58 PolarHBondContact N-O 3.16Å; T51-R58 HydrophobicContact CG2-CB 3.83Å; T51-R58 HydrophobicContact CG2-CG 4.22Å |
| 59 | F | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 112.7 | 173 | -61.8 | -87.6 | 0 | 0 | 0 | 108.7 | M14 I16 T51 V52 V57 V61 L169 N170 | M14-F59 HydrophobicContact CB-CD1 3.97Å; M14-F59 HydrophobicContact CB-CE1 4.3Å; M14-F59 HydrophobicContact CE-CD1 4.45Å; M14-F59 HydrophobicContact CE-CE1 3.91Å; M14-F59 CarbonylContact O-C 3.58Å; M14-F59 WeakPolarHBondContact O-CA 3.31Å; M14-F59 HydrophobicContact SD-CD1 4.34Å; M14-F59 HydrophobicContact SD-CE1 3.7Å; M14-F59 HydrophobicContact SD-CZ 4.34Å; I16-F59 HydrophobicContact CD1-CD1 4.36Å; I16-F59 HydrophobicContact CG1-CB 4.41Å; I16-F59 HydrophobicContact CG1-CD1 3.76Å; T51-F59 CarbonylContact C-O 3.49Å; T51-F59 WeakPolarHBondContact CA-O 3.47Å; V52-F59 HydrophobicContact CB-CB 4.46Å; V52-F59 PolarHBondContact N-O 3.1Å; V52-F59 PolarHBondContact O-N 3.17Å; V57-F59 HydrophobicContact CB-CE2 3.89Å; V57-F59 HydrophobicContact CB-CZ 4.17Å; V57-F59 HydrophobicContact CG1-CD2 4.25Å; V57-F59 HydrophobicContact CG1-CE1 4.16Å; V57-F59 HydrophobicContact CG1-CE2 3.82Å; V57-F59 HydrophobicContact CG1-CZ 3.79Å; F59-V61 HydrophobicContact CB-CG2 3.93Å; F59-V61 PolarHBondContact O-N 3.04Å; F59-L169 HydrophobicContact CD1-CD2 4.04Å; F59-L169 HydrophobicContact CE1-CD2 3.76Å; F59-L169 HydrophobicContact CE1-CG 4.23Å; F59-N170 HydrophobicContact CZ-CB 4.19Å |
| 60 | N | 96.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 94.5 | 170.7 | -66.7 | -36.3 | 0 | 0 | 0 | 107.4 | E13 M14 I16 T51 | E13-N60 PolarHBondContact OE2-ND2 2.91Å; M14-N60 PolarHBondContact O-N 3.33Å; I16-N60 PolarHBondContact N-O 3.42Å; T51-N60 PolarHBondContact OG1-OD1 3.16Å |
| 61 | V | 97.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.8 | -171.6 | -176 | 0 | 0 | 0 | 0 | 109.9 | I16 M18 L30 V49 E50 V52 F59 | I16-V61 HydrophobicContact CB-CG2 4.34Å; I16-V61 CarbonylContact O-C 3.57Å; I16-V61 WeakPolarHBondContact O-CA 3.22Å; M18-V61 HydrophobicContact CB-CG1 3.89Å; M18-V61 HydrophobicContact CE-CG1 3.66Å; M18-V61 HydrophobicContact SD-CG1 4.44Å; L30-V61 HydrophobicContact CD1-CB 3.77Å; L30-V61 HydrophobicContact CD1-CG1 3.82Å; L30-V61 HydrophobicContact CD1-CG2 4.32Å; V49-V61 WeakPolarHBondContact CA-O 3.4Å; E50-V61 PolarHBondContact N-O 2.95Å; E50-V61 VanDerWaalsContact N-O 3.1Å; E50-V61 PolarHBondContact O-N 2.91Å; V52-V61 HydrophobicContact CG2-CG2 4.4Å; F59-V61 HydrophobicContact CB-CG2 3.93Å; F59-V61 PolarHBondContact O-N 3.04Å |
| 62 | W | 97.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 96 | 173.8 | -67.1 | 69.1 | 0 | 0 | 0 | 108.7 | I16 L17 M18 F47 V49 Y77 | I16-W62 PolarHBondContact O-N 2.96Å; L17-W62 HydrophobicContact CD1-CB 3.77Å; M18-W62 PolarHBondContact N-O 2.83Å; F47-W62 AromaticContact CD2-CE3 3.73Å; F47-W62 HydrophobicContact CD2-CE3 3.73Å; F47-W62 AromaticContact CD2-CZ3 3.85Å; F47-W62 HydrophobicContact CD2-CZ3 3.85Å; F47-W62 AromaticContact CE2-CE3 3.82Å; F47-W62 HydrophobicContact CE2-CE3 3.82Å; F47-W62 HydrophobicContact CE2-CH2 4.33Å; F47-W62 AromaticContact CE2-CZ3 3.43Å; F47-W62 HydrophobicContact CE2-CZ3 3.43Å; F47-W62 VanDerWaalsContact CE2-CZ3 3.43Å; F47-W62 HydrophobicContact CZ-CZ3 4.02Å; V49-W62 HydrophobicContact CG1-CD2 4.38Å; V49-W62 HydrophobicContact CG1-CG 4.49Å; V49-W62 HydrophobicContact CG2-CD2 3.52Å; V49-W62 HydrophobicContact CG2-CE3 3.48Å; V49-W62 VanDerWaalsContact CG2-CE3 3.48Å; V49-W62 HydrophobicContact CG2-CG 4.07Å; V49-W62 HydrophobicContact CG2-CH2 4.1Å; V49-W62 HydrophobicContact CG2-CZ2 4.14Å; V49-W62 HydrophobicContact CG2-CZ3 3.78Å; W62-Y77 AromaticContact CE3-CD1 3.76Å; W62-Y77 HydrophobicContact CE3-CD1 3.76Å; W62-Y77 HydrophobicContact CE3-CE1 4.3Å; W62-Y77 AromaticContact CZ3-CD1 3.91Å; W62-Y77 HydrophobicContact CZ3-CD1 3.91Å; W62-Y77 HydrophobicContact CZ3-CE1 4.21Å |
| 63 | D | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.2 | 172.9 | 172.7 | 35.5 | 0 | 0 | 0 | 109 | K26 T27 L30 F47 N48 | K26-D63 WeakPolarHBondContact CB-OD1 3.38Å; T27-D63 WeakPolarHBondContact CA-OD2 3.42Å; T27-D63 WeakPolarHBondContact CB-OD2 3.31Å; T27-D63 PolarHBondContact OG1-OD2 3.26Å; L30-D63 HydrophobicContact CD2-CB 3.61Å; F47-D63 CarbonylContact C-O 3.58Å; F47-D63 WeakPolarHBondContact CA-O 3.47Å; F47-D63 WeakPolarHBondContact CB-O 3.4Å; N48-D63 PolarHBondContact N-O 3.23Å; N48-D63 PolarHBondContact O-N 2.8Å |
| 64 | V | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.2 | -176.5 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | L17 M18 L19 K26 F47 Y77 | L17-V64 HydrophobicContact CD1-CG2 3.82Å; M18-V64 PolarHBondContact O-N 2.78Å; L19-V64 HydrophobicContact CD2-CB 3.69Å; L19-V64 HydrophobicContact CD2-CG2 3.88Å; K26-V64 WeakPolarHBondContact CE-O 3.47Å; F47-V64 HydrophobicContact CB-CB 4.44Å; F47-V64 HydrophobicContact CB-CG1 4.39Å; F47-V64 HydrophobicContact CB-CG2 4.09Å; V64-Y77 HydrophobicContact CG1-CD2 4.04Å; V64-Y77 HydrophobicContact CG1-CE2 3.74Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.16Å; V64-Y77 HydrophobicContact CG2-CG 4.25Å |
| 65 | G | 94.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | trans | -57.9 | 146.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G46 W74 | G46-G65 PolarHBondContact O-N 2.96Å; G65-W74 PolarHBondContact O-NE1 3.14Å | ||
| 66 | G | 94.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | -109.6 | 7.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G20 D22 R71 | G20-G66 WeakPolarHBondContact O-CA 3.48Å; D22-G66 PolarHBondContact N-O 3.39Å; D22-G66 VanDerWaalsContact N-O 3.12Å; G66-R71 PolarHBondContact O-NE 2.83Å; G66-R71 PolarHBondContact O-NH2 3.2Å | ||
| 67 | Q | 94.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | trans | -67.5 | 139.2 | 179.5 | -51.4 | 82.7 | 2.3 | 0 | 0 | 109.3 | D22 T44 K69 I70 R71 | D22-Q67 HydrophobicContact CB-CG 4.16Å; T44-Q67 PolarHBondContact O-NE2 2.78Å; T44-Q67 PolarHBondContact O-OE1 2.74Å; Q67-K69 VanDerWaalsContact C-N 3.26Å; Q67-K69 PolarHBondContact O-N 2.72Å; Q67-K69 VanDerWaalsContact O-N 3.1Å; Q67-I70 HydrophobicContact CB-CG1 4.34Å; Q67-I70 VanDerWaalsContact O-CG1 3.24Å; Q67-I70 WeakPolarHBondContact O-CG1 3.47Å; Q67-I70 PolarHBondContact O-N 3.01Å; Q67-R71 WeakPolarHBondContact O-CG 3.32Å; Q67-R71 PolarHBondContact O-N 2.86Å | ||
| 68 | E | 94.1 | Very high | 95.1 | Very high | 144 Ų | 144 | 53.7 Ų | 53.7 | 67% | 0.673 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -45.3 | -48.1 | -174.4 | -170.7 | -174.1 | 170.5 | 0 | 0 | 113.3 | I70 R71 | E68-I70 PolarHBondContact O-N 2.81Å; E68-R71 PolarHBondContact O-N 3.31Å |
| 69 | K | 93.5 | Very high | 95.1 | Very high | 199 Ų | 199 | 53.5 Ų | 53.5 | 87% | 0.865 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -59.2 | -23 | -178.4 | -67 | -174.6 | 179 | 179.8 | 0 | 114.8 | Q67 | Q67-K69 VanDerWaalsContact C-N 3.26Å; Q67-K69 PolarHBondContact O-N 2.72Å; Q67-K69 VanDerWaalsContact O-N 3.1Å |
| 70 | I | 91.6 | Very high | 95 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -111 | -8.3 | -176.8 | 69.3 | 161.7 | 0 | 0 | 0 | 114 | Q67 E68 P72 L73 | Q67-I70 HydrophobicContact CB-CG1 4.34Å; Q67-I70 VanDerWaalsContact O-CG1 3.24Å; Q67-I70 WeakPolarHBondContact O-CG1 3.47Å; Q67-I70 PolarHBondContact O-N 3.01Å; E68-I70 PolarHBondContact O-N 2.81Å; I70-P72 VanDerWaalsContact C-N 3.27Å; I70-L73 HydrophobicContact CB-CD1 4.24Å; I70-L73 VanDerWaalsContact O-CB 3.22Å; I70-L73 WeakPolarHBondContact O-CB 3.4Å; I70-L73 WeakPolarHBondContact O-CG 3.25Å; I70-L73 PolarHBondContact O-N 3.36Å |
| 71 | R | 95.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 54 Ų | 54 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -55.8 | -32.8 | 176.3 | -57.1 | -172.2 | -163 | 140.8 | 1.9 | 114.1 | D22 G66 Q67 E68 L73 W74 E98 | D22-R71 IonicContact OD1-NH2 2.63Å; D22-R71 PolarHBondContact OD1-NH2 3.36Å; G66-R71 PolarHBondContact O-NE 2.83Å; G66-R71 PolarHBondContact O-NH2 3.2Å; Q67-R71 WeakPolarHBondContact O-CG 3.32Å; Q67-R71 PolarHBondContact O-N 2.86Å; E68-R71 PolarHBondContact O-N 3.31Å; R71-L73 PolarHBondContact O-N 3.03Å; R71-W74 HydrophobicContact CB-CD2 4.12Å; R71-W74 HydrophobicContact CB-CE3 4.31Å; R71-W74 HydrophobicContact CB-CH2 4.46Å; R71-W74 HydrophobicContact CB-CZ2 4.27Å; R71-W74 HydrophobicContact CB-CZ3 4.47Å; R71-W74 HydrophobicContact CG-CD2 4.45Å; R71-W74 HydrophobicContact CG-CH2 4.01Å; R71-W74 HydrophobicContact CG-CZ2 3.71Å; R71-W74 HydrophobicContact CG-CZ3 4.48Å; R71-W74 VanDerWaalsContact O-CB 3.25Å; R71-W74 WeakPolarHBondContact O-CB 3.45Å; R71-W74 PolarHBondContact O-N 2.96Å; R71-E98 IonicContact CZ-OE1 3.41Å; R71-E98 IonicContact NH1-OE1 2.97Å; R71-E98 PolarHBondContact NH1-OE1 3.32Å; R71-E98 IonicContact NH2-OE1 2.72Å; R71-E98 PolarHBondContact NH2-OE1 2.92Å |
| 72 | P | 94.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 55.8 Ų | 55.8 | 56% | 0.558 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57.2 | -20.9 | 172.4 | -28.1 | 37 | 0 | 0 | 0 | 114.5 | I70 W74 R75 | I70-P72 VanDerWaalsContact C-N 3.27Å; P72-W74 VanDerWaalsContact C-N 3.33Å; P72-R75 WeakPolarHBondContact O-CG 3.31Å |
| 73 | L | 92.5 | Very high | 94.6 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -78.1 | -16 | 176.8 | -55.7 | 178.6 | 0 | 0 | 0 | 113 | I70 R71 R75 H76 Y77 | I70-L73 HydrophobicContact CB-CD1 4.24Å; I70-L73 VanDerWaalsContact O-CB 3.22Å; I70-L73 WeakPolarHBondContact O-CB 3.4Å; I70-L73 WeakPolarHBondContact O-CG 3.25Å; I70-L73 PolarHBondContact O-N 3.36Å; R71-L73 PolarHBondContact O-N 3.03Å; L73-R75 PolarHBondContact O-N 3.39Å; L73-R75 VanDerWaalsContact O-N 3.16Å; L73-H76 WeakPolarHBondContact O-CB 3.34Å; L73-H76 PolarHBondContact O-CD2 2.93Å; L73-H76 PolarHBondContact O-N 3.12Å; L73-Y77 WeakPolarHBondContact O-CD2 3.32Å; L73-Y77 WeakPolarHBondContact O-CE2 3.36Å |
| 74 | W | 97 | Very high | 94.7 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -54.3 | -38.1 | -178.2 | -70.5 | -5.1 | 0 | 0 | 0 | 112.9 | L19 G20 G65 R71 P72 H76 Y77 F78 E102 I106 | L19-W74 HydrophobicContact CB-CD2 4.5Å; L19-W74 HydrophobicContact CB-CH2 4.43Å; L19-W74 HydrophobicContact CB-CZ2 4.41Å; L19-W74 HydrophobicContact CB-CZ3 4.48Å; L19-W74 HydrophobicContact CD1-CB 4.18Å; L19-W74 HydrophobicContact CD1-CD2 4.02Å; L19-W74 HydrophobicContact CD1-CE3 3.98Å; L19-W74 HydrophobicContact CD1-CG 4.16Å; L19-W74 HydrophobicContact CD2-CB 4.37Å; L19-W74 HydrophobicContact CD2-CD2 3.93Å; L19-W74 HydrophobicContact CD2-CG 3.82Å; L19-W74 HydrophobicContact CG-CD2 4.37Å; G20-W74 WeakPolarHBondContact O-CZ2 3.29Å; G65-W74 PolarHBondContact O-NE1 3.14Å; R71-W74 HydrophobicContact CB-CD2 4.12Å; R71-W74 HydrophobicContact CB-CE3 4.31Å; R71-W74 HydrophobicContact CB-CH2 4.46Å; R71-W74 HydrophobicContact CB-CZ2 4.27Å; R71-W74 HydrophobicContact CB-CZ3 4.47Å; R71-W74 HydrophobicContact CG-CD2 4.45Å; R71-W74 HydrophobicContact CG-CH2 4.01Å; R71-W74 HydrophobicContact CG-CZ2 3.71Å; R71-W74 HydrophobicContact CG-CZ3 4.48Å; R71-W74 VanDerWaalsContact O-CB 3.25Å; R71-W74 WeakPolarHBondContact O-CB 3.45Å; R71-W74 PolarHBondContact O-N 2.96Å; P72-W74 VanDerWaalsContact C-N 3.33Å; W74-H76 PolarHBondContact O-N 3.27Å; W74-H76 VanDerWaalsContact O-N 3.14Å; W74-Y77 PolarHBondContact O-N 3.33Å; W74-F78 HydrophobicContact CB-CE1 4Å; W74-F78 HydrophobicContact CB-CZ 4.35Å; W74-F78 WeakPolarHBondContact O-CD1 3.21Å; W74-F78 VanDerWaalsContact O-CE1 3.29Å; W74-F78 WeakPolarHBondContact O-CE1 3.16Å; W74-E102 HydrophobicContact CH2-CB 4.41Å; W74-E102 HydrophobicContact CH2-CG 4.42Å; W74-E102 HydrophobicContact CZ3-CB 3.98Å; W74-E102 HydrophobicContact CZ3-CG 4.23Å; W74-E102 WeakPolarHBondContact CZ3-OE2 3.39Å; W74-I106 HydrophobicContact CE3-CD1 3.73Å; W74-I106 HydrophobicContact CE3-CG1 4.07Å; W74-I106 HydrophobicContact CZ3-CD1 3.65Å; W74-I106 HydrophobicContact CZ3-CG1 4.36Å |
| 75 | R | 95.9 | Very high | 94.9 | Very high | 158 Ų | 158 | 52.9 Ų | 52.9 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -57.4 | -28.1 | 178.7 | 72 | -172.8 | 177.1 | 127.9 | 0.3 | 113.7 | P72 L73 Y77 F78 | P72-R75 WeakPolarHBondContact O-CG 3.31Å; L73-R75 PolarHBondContact O-N 3.39Å; L73-R75 VanDerWaalsContact O-N 3.16Å; R75-Y77 PolarHBondContact O-N 3.02Å; R75-Y77 VanDerWaalsContact O-N 3.16Å; R75-F78 HydrophobicContact CB-CD2 4.14Å; R75-F78 HydrophobicContact CB-CE2 3.96Å; R75-F78 HydrophobicContact CB-CZ 4.33Å; R75-F78 PolarHBondContact O-N 3.49Å |
| 76 | H | 94.6 | Very high | 95.1 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -66.7 | -14.7 | 177.8 | -61.3 | -48.4 | 0 | 0 | 0 | 112.8 | L73 W74 | L73-H76 WeakPolarHBondContact O-CB 3.34Å; L73-H76 PolarHBondContact O-CD2 2.93Å; L73-H76 PolarHBondContact O-N 3.12Å; W74-H76 PolarHBondContact O-N 3.27Å; W74-H76 VanDerWaalsContact O-N 3.14Å |
| 77 | Y | 95.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 14% | 0.137 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -108.6 | 2.5 | -179.3 | -48.3 | -71.6 | 0 | 0 | 0 | 113.2 | R15 L17 F47 W62 V64 L73 W74 R75 S81 | R15-Y77 VanDerWaalsContact CZ-O 3.28Å; R15-Y77 PolarHBondContact NH1-O 2.82Å; R15-Y77 PolarHBondContact NH2-O 2.86Å; L17-Y77 HydrophobicContact CD1-CG 4.49Å; F47-Y77 AromaticContact CD1-CE1 3.74Å; F47-Y77 HydrophobicContact CD1-CE1 3.74Å; F47-Y77 AromaticContact CD1-CZ 3.68Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.45Å; F47-Y77 AromaticContact CE1-CE1 3.97Å; F47-Y77 HydrophobicContact CE1-CE1 3.97Å; F47-Y77 HydrophobicContact CG-CE1 4.04Å; F47-Y77 HydrophobicContact CZ-CE1 4.47Å; W62-Y77 AromaticContact CE3-CD1 3.76Å; W62-Y77 HydrophobicContact CE3-CD1 3.76Å; W62-Y77 HydrophobicContact CE3-CE1 4.3Å; W62-Y77 AromaticContact CZ3-CD1 3.91Å; W62-Y77 HydrophobicContact CZ3-CD1 3.91Å; W62-Y77 HydrophobicContact CZ3-CE1 4.21Å; V64-Y77 HydrophobicContact CG1-CD2 4.04Å; V64-Y77 HydrophobicContact CG1-CE2 3.74Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.16Å; V64-Y77 HydrophobicContact CG2-CG 4.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.32Å; L73-Y77 WeakPolarHBondContact O-CE2 3.36Å; W74-Y77 PolarHBondContact O-N 3.33Å; R75-Y77 PolarHBondContact O-N 3.02Å; R75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-S81 PolarHBondContact O-OG 2.78Å |
| 78 | F | 96.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | trans | -70.3 | -45.1 | -176.1 | -68.2 | -5.3 | 0 | 0 | 0 | 112.9 | L17 L19 W74 R75 G80 S81 I106 D109 E111 M112 | L17-F78 HydrophobicContact CD2-CD1 3.48Å; L17-F78 VanDerWaalsContact CD2-CD1 3.48Å; L17-F78 HydrophobicContact CD2-CE1 3.88Å; L19-F78 HydrophobicContact CD1-CE1 4Å; W74-F78 HydrophobicContact CB-CE1 4Å; W74-F78 HydrophobicContact CB-CZ 4.35Å; W74-F78 WeakPolarHBondContact O-CD1 3.21Å; W74-F78 VanDerWaalsContact O-CE1 3.29Å; W74-F78 WeakPolarHBondContact O-CE1 3.16Å; R75-F78 HydrophobicContact CB-CD2 4.14Å; R75-F78 HydrophobicContact CB-CE2 3.96Å; R75-F78 HydrophobicContact CB-CZ 4.33Å; R75-F78 PolarHBondContact O-N 3.49Å; F78-G80 PolarHBondContact O-N 3.32Å; F78-S81 WeakPolarHBondContact O-CB 3.39Å; F78-S81 PolarHBondContact O-N 3.26Å; F78-S81 PolarHBondContact O-OG 2.83Å; F78-S81 VanDerWaalsContact O-OG 3.04Å; F78-I106 HydrophobicContact CE1-CG1 4.32Å; F78-I106 HydrophobicContact CE1-CG2 4Å; F78-I106 HydrophobicContact CZ-CB 4.2Å; F78-I106 HydrophobicContact CZ-CG1 3.93Å; F78-I106 HydrophobicContact CZ-CG2 3.93Å; F78-D109 HydrophobicContact CD2-CB 3.77Å; F78-D109 VanDerWaalsContact CD2-CG 3.41Å; F78-D109 HydrophobicContact CE2-CB 3.65Å; F78-E111 HydrophobicContact CB-CB 3.7Å; F78-E111 HydrophobicContact CB-CG 4.48Å; F78-M112 HydrophobicContact CB-CG 4.02Å; F78-M112 HydrophobicContact CB-SD 3.84Å; F78-M112 HydrophobicContact CD1-CG 4.14Å; F78-M112 HydrophobicContact CD1-SD 3.98Å; F78-M112 HydrophobicContact CD2-CG 3.83Å; F78-M112 HydrophobicContact CE2-CG 4.3Å; F78-M112 HydrophobicContact CG-CG 3.74Å; F78-M112 HydrophobicContact CG-SD 3.9Å | ||
| 79 | T | 94.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 44.7 Ų | 44.7 | 57% | 0.571 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.3 | -174.6 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | R15 S81 E111 | R15-T79 VanDerWaalsContact CZ-O 3.3Å; R15-T79 PolarHBondContact NH1-O 3.1Å; T79-S81 VanDerWaalsContact C-N 3.32Å; T79-E111 PolarHBondContact OG1-OE2 3.37Å |
| 80 | G | 92 | Very high | 96 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 46% | 0.464 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -1.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R15 F78 Q82 | R15-G80 WeakPolarHBondContact CB-O 3.23Å; F78-G80 PolarHBondContact O-N 3.32Å; G80-Q82 PolarHBondContact O-N 2.92Å |
| 81 | S | 94.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -65.7 | 124.2 | 172 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | R15 L17 Y77 F78 T79 | R15-S81 VanDerWaalsContact NH1-N 3.1Å; R15-S81 PolarHBondContact NH1-OG 3.34Å; L17-S81 WeakPolarHBondContact CB-OG 3.44Å; Y77-S81 PolarHBondContact O-OG 2.78Å; F78-S81 WeakPolarHBondContact O-CB 3.39Å; F78-S81 PolarHBondContact O-N 3.26Å; F78-S81 PolarHBondContact O-OG 2.83Å; F78-S81 VanDerWaalsContact O-OG 3.04Å; T79-S81 VanDerWaalsContact C-N 3.32Å | ||
| 82 | Q | 94 | Very high | 96.5 | Very high | 40 Ų | 40 | 36 Ų | 36 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -94 | -21.8 | 176 | -66.9 | 161.5 | -59.5 | 0 | 0 | 111.8 | M14 R15 G80 A115 V116 | M14-Q82 VanDerWaalsContact CA-OE1 3.26Å; R15-Q82 PolarHBondContact O-N 3.05Å; G80-Q82 PolarHBondContact O-N 2.92Å; Q82-A115 WeakPolarHBondContact O-CA 2.93Å; Q82-V116 PolarHBondContact O-N 3.42Å |
| 83 | G | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 150.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | I16 L17 V116 | I16-G83 WeakPolarHBondContact CA-O 3.1Å; L17-G83 PolarHBondContact N-O 3.13Å; G83-V116 CarbonylContact C-O 3.55Å; G83-V116 VanDerWaalsContact CA-O 3.25Å; G83-V116 WeakPolarHBondContact CA-O 3.34Å |
| 84 | L | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.7 | 169.8 | 175.8 | 63.9 | 0 | 0 | 0 | 108.1 | L17 L19 F86 L103 I106 M112 V116 I117 L118 | L17-L84 CarbonylContact O-C 3.56Å; L17-L84 WeakPolarHBondContact O-CA 3.2Å; L19-L84 HydrophobicContact CB-CD1 4.07Å; L19-L84 HydrophobicContact CD1-CD1 3.95Å; L19-L84 HydrophobicContact CG-CD1 3.98Å; L84-F86 HydrophobicContact CD2-CB 4.35Å; L84-F86 HydrophobicContact CD2-CD2 4.45Å; L84-F86 HydrophobicContact CG-CB 4.28Å; L84-L103 HydrophobicContact CD2-CD1 3.77Å; L84-I106 HydrophobicContact CD1-CG2 4.36Å; L84-I106 HydrophobicContact CD2-CB 4.49Å; L84-I106 HydrophobicContact CD2-CG2 3.79Å; L84-M112 HydrophobicContact CB-CE 3.84Å; L84-M112 HydrophobicContact CD1-CE 4.46Å; L84-V116 PolarHBondContact N-O 3.36Å; L84-I117 HydrophobicContact CB-CG1 4.32Å; L84-I117 HydrophobicContact CD2-CG1 4.34Å; L84-I117 HydrophobicContact CD2-CG2 4.19Å; L84-I117 WeakPolarHBondContact O-CA 3.43Å; L84-L118 PolarHBondContact O-N 3.49Å |
| 85 | I | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113.4 | 158.4 | -65.4 | 177.1 | 0 | 0 | 0 | 106.8 | I16 L17 M18 L19 V87 L118 F120 L169 | I16-I85 HydrophobicContact CG2-CB 4.28Å; I16-I85 HydrophobicContact CG2-CD1 3.65Å; I16-I85 HydrophobicContact CG2-CG1 3.63Å; L17-I85 PolarHBondContact O-N 2.58Å; M18-I85 CarbonylContact C-O 3.52Å; M18-I85 VanDerWaalsContact CA-O 3.29Å; M18-I85 WeakPolarHBondContact CA-O 3.49Å; M18-I85 HydrophobicContact CB-CB 4.34Å; M18-I85 HydrophobicContact CE-CB 4.37Å; M18-I85 HydrophobicContact CE-CD1 3.9Å; M18-I85 HydrophobicContact CE-CG2 4.08Å; M18-I85 HydrophobicContact CG-CB 4.13Å; M18-I85 HydrophobicContact CG-CG2 3.99Å; L19-I85 PolarHBondContact N-O 3.35Å; I85-V87 HydrophobicContact CG2-CG2 3.95Å; I85-L118 CarbonylContact C-O 3.45Å; I85-L118 VanDerWaalsContact CA-O 3.3Å; I85-L118 WeakPolarHBondContact CA-O 3.47Å; I85-L118 HydrophobicContact CD1-CD2 4.5Å; I85-L118 HydrophobicContact CG1-CB 4.36Å; I85-L118 HydrophobicContact CG1-CD2 4.25Å; I85-F120 HydrophobicContact CD1-CE2 4.36Å; I85-F120 HydrophobicContact CG2-CD2 3.5Å; I85-F120 VanDerWaalsContact CG2-CD2 3.5Å; I85-F120 HydrophobicContact CG2-CE2 3.88Å; I85-L169 HydrophobicContact CD1-CD2 4.2Å; I85-L169 HydrophobicContact CG1-CD2 4.32Å |
| 86 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117 | 175.2 | -162.3 | -99.4 | 0 | 0 | 0 | 109.6 | L19 L84 V88 A99 E102 L103 I106 L118 V119 F120 | L19-F86 HydrophobicContact CB-CD2 4.25Å; L19-F86 CarbonylContact O-C 3.57Å; L19-F86 WeakPolarHBondContact O-CA 3.41Å; L84-F86 HydrophobicContact CD2-CB 4.35Å; L84-F86 HydrophobicContact CD2-CD2 4.45Å; L84-F86 HydrophobicContact CG-CB 4.28Å; F86-V88 HydrophobicContact CD1-CG2 3.89Å; F86-V88 HydrophobicContact CE1-CG2 3.94Å; F86-A99 HydrophobicContact CE1-CB 4.19Å; F86-A99 HydrophobicContact CZ-CB 4.45Å; F86-A99 VanDerWaalsContact CZ-O 3.32Å; F86-A99 WeakPolarHBondContact CZ-O 3.22Å; F86-E102 HydrophobicContact CZ-CB 4.29Å; F86-L103 HydrophobicContact CB-CD1 4.1Å; F86-L103 HydrophobicContact CD1-CB 4.27Å; F86-L103 HydrophobicContact CD1-CD1 4.26Å; F86-L103 HydrophobicContact CD1-CD2 4.3Å; F86-L103 HydrophobicContact CD2-CB 4.4Å; F86-L103 HydrophobicContact CD2-CD1 3.95Å; F86-L103 HydrophobicContact CE1-CB 3.93Å; F86-L103 HydrophobicContact CE2-CB 4.08Å; F86-L103 HydrophobicContact CE2-CD1 4.44Å; F86-L103 HydrophobicContact CG-CB 4.49Å; F86-L103 HydrophobicContact CG-CD1 3.84Å; F86-L103 HydrophobicContact CZ-CB 3.83Å; F86-I106 HydrophobicContact CD2-CD1 4.08Å; F86-I106 HydrophobicContact CE2-CD1 3.77Å; F86-L118 PolarHBondContact N-O 3.44Å; F86-V119 HydrophobicContact CB-CG2 4.45Å; F86-V119 CarbonylContact O-C 3.59Å; F86-V119 VanDerWaalsContact O-CA 3.22Å; F86-V119 WeakPolarHBondContact O-CA 3.17Å; F86-F120 PolarHBondContact O-N 2.88Å |
| 87 | V | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.5 | -174.7 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | M18 L19 A24 K26 I29 I85 F120 N122 | M18-V87 HydrophobicContact CG-CG2 4.02Å; M18-V87 HydrophobicContact SD-CG2 4.36Å; L19-V87 PolarHBondContact O-N 3.45Å; A24-V87 HydrophobicContact CB-CB 4.29Å; A24-V87 HydrophobicContact CB-CG1 4.05Å; A24-V87 WeakPolarHBondContact CB-O 3.4Å; A24-V87 WeakPolarHBondContact O-CG1 3.42Å; K26-V87 HydrophobicContact CB-CG2 4.47Å; K26-V87 HydrophobicContact CG-CB 3.79Å; K26-V87 HydrophobicContact CG-CG1 4.46Å; K26-V87 HydrophobicContact CG-CG2 3.75Å; I29-V87 HydrophobicContact CD1-CB 4.43Å; I29-V87 HydrophobicContact CD1-CG1 3.65Å; I29-V87 HydrophobicContact CD1-CG2 3.83Å; I85-V87 HydrophobicContact CG2-CG2 3.95Å; V87-F120 HydrophobicContact CG1-CB 4.42Å; V87-F120 HydrophobicContact CG2-CB 4.49Å; V87-N122 HydrophobicContact CG1-CB 3.92Å |
| 88 | V | 98.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130 | 177.1 | 175 | 0 | 0 | 0 | 0 | 109.2 | F86 S90 I96 V119 F120 N122 I135 L139 | F86-V88 HydrophobicContact CD1-CG2 3.89Å; F86-V88 HydrophobicContact CE1-CG2 3.94Å; V88-S90 PolarHBondContact O-N 3.19Å; V88-I96 HydrophobicContact CG1-CD1 3.8Å; V88-V119 HydrophobicContact CG2-CG1 4.12Å; V88-F120 PolarHBondContact N-O 3.07Å; V88-N122 WeakPolarHBondContact O-CB 3.24Å; V88-N122 PolarHBondContact O-N 3.04Å; V88-I135 HydrophobicContact CG1-CD1 4.25Å; V88-I135 HydrophobicContact CG1-CG2 4.42Å; V88-L139 HydrophobicContact CG2-CD1 4.07Å |
| 89 | D | 98.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 111.9 | 163.8 | -173.6 | -21.5 | 0 | 0 | 0 | 108.6 | S91 D92 K123 | D89-S91 PolarHBondContact O-N 3.4Å; D89-S91 WeakPolarHBondContact OD1-CB 3.35Å; D89-S91 PolarHBondContact OD1-N 3.4Å; D89-S91 PolarHBondContact OD1-OG 2.85Å; D89-D92 HydrophobicContact CB-CB 3.73Å; D89-D92 PolarHBondContact O-N 2.92Å; D89-K123 WeakPolarHBondContact OD2-CD 3.46Å; D89-K123 VanDerWaalsContact OD2-CE 3.27Å; D89-K123 WeakPolarHBondContact OD2-CE 3.34Å; D89-K123 IonicContact OD2-NZ 3.04Å; D89-K123 PolarHBondContact OD2-NZ 3.26Å |
| 90 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -19.2 | -176.4 | -50.7 | 0 | 0 | 0 | 0 | 112.7 | V88 A121 N122 Q124 V129 M130 I135 | V88-S90 PolarHBondContact O-N 3.19Å; S90-A121 PolarHBondContact OG-O 3.5Å; S90-N122 WeakPolarHBondContact CB-O 3.32Å; S90-N122 PolarHBondContact N-O 2.8Å; S90-N122 PolarHBondContact OG-N 3.3Å; S90-N122 PolarHBondContact OG-O 3.15Å; S90-Q124 PolarHBondContact OG-NE2 3.2Å; S90-V129 CarbonylContact O-C 3.53Å; S90-V129 WeakPolarHBondContact O-CA 3.5Å; S90-M130 WeakPolarHBondContact O-CE 3.28Å; S90-M130 PolarHBondContact O-N 3.48Å; S90-I135 WeakPolarHBondContact OG-CD1 3.42Å |
| 91 | S | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -16.4 | 176 | 69.9 | 0 | 0 | 0 | 0 | 113 | D89 R93 L126 | D89-S91 PolarHBondContact O-N 3.4Å; D89-S91 WeakPolarHBondContact OD1-CB 3.35Å; D89-S91 PolarHBondContact OD1-N 3.4Å; D89-S91 PolarHBondContact OD1-OG 2.85Å; S91-R93 PolarHBondContact O-N 3.18Å; S91-R93 VanDerWaalsContact O-N 3.09Å; S91-L126 WeakPolarHBondContact OG-CD1 3.39Å |
| 92 | D | 98.3 | Very high | 98.3 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | trans | -88.6 | 76.8 | -175 | -165 | -20.9 | 0 | 0 | 0 | 111.8 | D89 D94 R95 M130 | D89-D92 HydrophobicContact CB-CB 3.73Å; D89-D92 PolarHBondContact O-N 2.92Å; D92-D94 VanDerWaalsContact C-N 3.26Å; D92-D94 PolarHBondContact O-N 3.07Å; D92-R95 WeakPolarHBondContact OD1-CB 3.41Å; D92-R95 PolarHBondContact OD1-N 2.92Å; D92-R95 VanDerWaalsContact OD1-N 3.11Å; D92-R95 IonicContact OD1-NE 3.48Å; D92-R95 IonicContact OD2-CZ 2.85Å; D92-R95 IonicContact OD2-NE 3.37Å; D92-R95 PolarHBondContact OD2-NE 3.28Å; D92-R95 IonicContact OD2-NH2 3.06Å; D92-R95 PolarHBondContact OD2-NH2 3.34Å; D92-M130 WeakPolarHBondContact O-CE 3.29Å | ||
| 93 | R | 98.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 33.4 Ų | 33.4 | 34% | 0.336 | 16% | 0.16 | S | C | . | . | trans | -69.5 | -25.1 | 179.7 | -69.5 | 176.7 | 169.9 | -79.9 | -5.8 | 112.6 | S91 I96 N128 V129 M130 E134 | S91-R93 PolarHBondContact O-N 3.18Å; S91-R93 VanDerWaalsContact O-N 3.09Å; R93-I96 VanDerWaalsContact O-CG2 3.29Å; R93-I96 WeakPolarHBondContact O-CG2 3.47Å; R93-N128 PolarHBondContact NE-O 3.12Å; R93-N128 PolarHBondContact NH2-O 3.39Å; R93-V129 PolarHBondContact NH2-O 2.81Å; R93-M130 HydrophobicContact CG-CE 4.2Å; R93-M130 HydrophobicContact CG-CG 3.87Å; R93-M130 HydrophobicContact CG-SD 4.05Å; R93-M130 VanDerWaalsContact CZ-CG 3.5Å; R93-E134 IonicContact CZ-OE1 3.88Å; R93-E134 IonicContact CZ-OE2 3.26Å; R93-E134 IonicContact NH1-OE1 2.68Å; R93-E134 PolarHBondContact NH1-OE1 3.24Å; R93-E134 IonicContact NH1-OE2 3.66Å; R93-E134 PolarHBondContact NH1-OE2 3.05Å; R93-E134 IonicContact NH2-OE1 2.66Å; R93-E134 IonicContact NH2-OE2 2.76Å; R93-E134 PolarHBondContact NH2-OE2 3.09Å | ||
| 94 | D | 98.2 | Very high | 98.6 | Very high | 156 Ų | 156 | 34.9 Ų | 34.9 | 83% | 0.834 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -74.8 | -32.8 | -175 | -63.1 | -25.4 | 0 | 0 | 0 | 111.8 | D92 | D92-D94 VanDerWaalsContact C-N 3.26Å; D92-D94 PolarHBondContact O-N 3.07Å |
| 95 | R | 98.5 | Very high | 98.6 | Very high | 64 Ų | 64 | 41 Ų | 41 | 24% | 0.242 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -104.5 | 8.7 | -177.1 | -59.6 | -171.5 | -67.8 | 167.8 | 3.2 | 114.8 | L21 D22 D92 E97 E98 A99 | L21-R95 HydrophobicContact CD1-CB 3.64Å; L21-R95 WeakPolarHBondContact CD1-O 3.4Å; D22-R95 VanDerWaalsContact CG-NH1 3.34Å; D22-R95 PolarHBondContact O-NH2 3.4Å; D22-R95 IonicContact OD1-NH1 2.6Å; D22-R95 PolarHBondContact OD1-NH1 3.1Å; D22-R95 IonicContact OD2-CZ 3.76Å; D22-R95 IonicContact OD2-NH1 2.75Å; D22-R95 PolarHBondContact OD2-NH1 2.87Å; D92-R95 WeakPolarHBondContact OD1-CB 3.41Å; D92-R95 PolarHBondContact OD1-N 2.92Å; D92-R95 VanDerWaalsContact OD1-N 3.11Å; D92-R95 IonicContact OD1-NE 3.48Å; D92-R95 IonicContact OD2-CZ 2.85Å; D92-R95 IonicContact OD2-NE 3.37Å; D92-R95 PolarHBondContact OD2-NE 3.28Å; D92-R95 IonicContact OD2-NH2 3.06Å; D92-R95 PolarHBondContact OD2-NH2 3.34Å; R95-E97 VanDerWaalsContact C-N 3.27Å; R95-E97 PolarHBondContact O-N 3.28Å; R95-E98 WeakPolarHBondContact CD-OE2 3.46Å; R95-E98 WeakPolarHBondContact O-CB 3.41Å; R95-E98 PolarHBondContact O-N 3.1Å; R95-A99 PolarHBondContact O-N 2.8Å |
| 96 | I | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -32.8 | -180 | -168.8 | 58.2 | 0 | 0 | 0 | 113.2 | V88 R93 A99 R100 M130 R138 L139 | V88-I96 HydrophobicContact CG1-CD1 3.8Å; R93-I96 VanDerWaalsContact O-CG2 3.29Å; R93-I96 WeakPolarHBondContact O-CG2 3.47Å; I96-A99 PolarHBondContact O-N 2.63Å; I96-R100 PolarHBondContact O-N 3.01Å; I96-M130 HydrophobicContact CB-CE 4.09Å; I96-M130 HydrophobicContact CB-SD 4.17Å; I96-M130 HydrophobicContact CD1-CE 4.09Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.14Å; I96-M130 HydrophobicContact CG1-SD 3.98Å; I96-M130 HydrophobicContact CG2-SD 4.41Å; I96-R138 HydrophobicContact CG1-CB 3.66Å; I96-R138 HydrophobicContact CG1-CG 4.41Å; I96-L139 HydrophobicContact CD1-CD2 3.83Å; I96-L139 HydrophobicContact CD1-CG 4.22Å |
| 97 | E | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71 | -38.3 | 176.6 | 176.6 | 51.7 | -149.8 | 0 | 0 | 111.6 | R95 R100 Q101 | R95-E97 VanDerWaalsContact C-N 3.27Å; R95-E97 PolarHBondContact O-N 3.28Å; E97-R100 VanDerWaalsContact CD-NE 3.31Å; E97-R100 WeakPolarHBondContact O-CB 3.47Å; E97-R100 PolarHBondContact O-N 2.88Å; E97-R100 IonicContact OE1-CZ 3.25Å; E97-R100 VanDerWaalsContact OE1-CZ 3.25Å; E97-R100 IonicContact OE1-NE 3.67Å; E97-R100 PolarHBondContact OE1-NE 2.85Å; E97-R100 VanDerWaalsContact OE1-NE 3.1Å; E97-R100 IonicContact OE1-NH2 2.63Å; E97-R100 PolarHBondContact OE1-NH2 2.75Å; E97-R100 IonicContact OE2-CZ 3.76Å; E97-R100 IonicContact OE2-NE 3.64Å; E97-R100 PolarHBondContact OE2-NE 2.84Å; E97-R100 IonicContact OE2-NH2 3.83Å; E97-Q101 WeakPolarHBondContact O-CG 3.29Å; E97-Q101 PolarHBondContact O-N 2.6Å; E97-Q101 PolarHBondContact OE1-NE2 3.48Å |
| 98 | E | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 170.7 | -177.4 | -174.3 | -175.3 | 0 | 0 | 110.4 | L21 R71 R95 R100 Q101 E102 | L21-E98 HydrophobicContact CD1-CB 4.25Å; L21-E98 HydrophobicContact CD1-CG 4.19Å; L21-E98 HydrophobicContact CD2-CG 4.09Å; R71-E98 IonicContact CZ-OE1 3.41Å; R71-E98 IonicContact NH1-OE1 2.97Å; R71-E98 PolarHBondContact NH1-OE1 3.32Å; R71-E98 IonicContact NH2-OE1 2.72Å; R71-E98 PolarHBondContact NH2-OE1 2.92Å; R95-E98 WeakPolarHBondContact CD-OE2 3.46Å; R95-E98 WeakPolarHBondContact O-CB 3.41Å; R95-E98 PolarHBondContact O-N 3.1Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 2.9Å; E98-Q101 PolarHBondContact O-N 3.48Å; E98-Q101 VanDerWaalsContact O-N 3.14Å; E98-E102 WeakPolarHBondContact O-CG 3.23Å; E98-E102 PolarHBondContact O-N 2.84Å |
| 99 | A | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 F86 R95 I96 L103 L139 | L21-A99 HydrophobicContact CD1-CB 3.89Å; L21-A99 HydrophobicContact CG-CB 4.03Å; F86-A99 HydrophobicContact CE1-CB 4.19Å; F86-A99 HydrophobicContact CZ-CB 4.45Å; F86-A99 VanDerWaalsContact CZ-O 3.32Å; F86-A99 WeakPolarHBondContact CZ-O 3.22Å; R95-A99 PolarHBondContact O-N 2.8Å; I96-A99 PolarHBondContact O-N 2.63Å; A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 PolarHBondContact O-N 3.15Å; A99-L139 HydrophobicContact CB-CD2 4.25Å |
| 100 | R | 98.8 | Very high | 98.1 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 18% | 0.177 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 173.2 | -176.9 | -166.8 | 74 | 73.2 | -1.2 | 111.1 | I96 E97 E98 E102 L103 H104 R138 L139 | I96-R100 PolarHBondContact O-N 3.01Å; E97-R100 VanDerWaalsContact CD-NE 3.31Å; E97-R100 WeakPolarHBondContact O-CB 3.47Å; E97-R100 PolarHBondContact O-N 2.88Å; E97-R100 IonicContact OE1-CZ 3.25Å; E97-R100 VanDerWaalsContact OE1-CZ 3.25Å; E97-R100 IonicContact OE1-NE 3.67Å; E97-R100 PolarHBondContact OE1-NE 2.85Å; E97-R100 VanDerWaalsContact OE1-NE 3.1Å; E97-R100 IonicContact OE1-NH2 2.63Å; E97-R100 PolarHBondContact OE1-NH2 2.75Å; E97-R100 IonicContact OE2-CZ 3.76Å; E97-R100 IonicContact OE2-NE 3.64Å; E97-R100 PolarHBondContact OE2-NE 2.84Å; E97-R100 IonicContact OE2-NH2 3.83Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 2.9Å; R100-E102 VanDerWaalsContact C-N 3.3Å; R100-E102 PolarHBondContact O-N 2.85Å; R100-L103 PolarHBondContact O-N 2.91Å; R100-H104 PolarHBondContact O-CD2 3.2Å; R100-H104 PolarHBondContact O-N 2.87Å; R100-R138 WeakPolarHBondContact CD-O 3.3Å; R100-L139 HydrophobicContact CB-CD2 4.11Å |
| 101 | Q | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 43% | 0.425 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | -179.2 | -68.9 | 171 | 19.1 | 0 | 0 | 111.5 | E97 E98 R105 | E97-Q101 WeakPolarHBondContact O-CG 3.29Å; E97-Q101 PolarHBondContact O-N 2.6Å; E97-Q101 PolarHBondContact OE1-NE2 3.48Å; E98-Q101 PolarHBondContact O-N 3.48Å; E98-Q101 VanDerWaalsContact O-N 3.14Å; Q101-R105 WeakPolarHBondContact O-CB 3.33Å; Q101-R105 PolarHBondContact O-N 2.81Å |
| 102 | E | 98.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 175.1 | -70.9 | -47.9 | 115.2 | 0 | 0 | 112.4 | L21 W74 F86 E98 R100 H104 R105 I106 | L21-E102 HydrophobicContact CD2-CG 3.84Å; W74-E102 HydrophobicContact CH2-CB 4.41Å; W74-E102 HydrophobicContact CH2-CG 4.42Å; W74-E102 HydrophobicContact CZ3-CB 3.98Å; W74-E102 HydrophobicContact CZ3-CG 4.23Å; W74-E102 WeakPolarHBondContact CZ3-OE2 3.39Å; F86-E102 HydrophobicContact CZ-CB 4.29Å; E98-E102 WeakPolarHBondContact O-CG 3.23Å; E98-E102 PolarHBondContact O-N 2.84Å; R100-E102 VanDerWaalsContact C-N 3.3Å; R100-E102 PolarHBondContact O-N 2.85Å; E102-H104 PolarHBondContact O-N 2.82Å; E102-R105 PolarHBondContact O-N 2.94Å; E102-R105 IonicContact OE1-CZ 3.2Å; E102-R105 IonicContact OE1-NH1 2.72Å; E102-R105 PolarHBondContact OE1-NH1 3.42Å; E102-R105 IonicContact OE1-NH2 2.78Å; E102-R105 PolarHBondContact OE1-NH2 2.84Å; E102-R105 IonicContact OE2-CZ 3.88Å; E102-R105 IonicContact OE2-NH1 2.74Å; E102-R105 PolarHBondContact OE2-NH1 3.31Å; E102-I106 WeakPolarHBondContact O-CD1 3.33Å; E102-I106 VanDerWaalsContact O-CG1 3.31Å; E102-I106 WeakPolarHBondContact O-CG1 3.44Å; E102-I106 PolarHBondContact O-N 2.92Å |
| 103 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 179.2 | 175.8 | 59.4 | 0 | 0 | 0 | 112 | L84 F86 A99 R100 R105 I106 A107 I117 L139 L141 L144 | L84-L103 HydrophobicContact CD2-CD1 3.77Å; F86-L103 HydrophobicContact CB-CD1 4.1Å; F86-L103 HydrophobicContact CD1-CB 4.27Å; F86-L103 HydrophobicContact CD1-CD1 4.26Å; F86-L103 HydrophobicContact CD1-CD2 4.3Å; F86-L103 HydrophobicContact CD2-CB 4.4Å; F86-L103 HydrophobicContact CD2-CD1 3.95Å; F86-L103 HydrophobicContact CE1-CB 3.93Å; F86-L103 HydrophobicContact CE2-CB 4.08Å; F86-L103 HydrophobicContact CE2-CD1 4.44Å; F86-L103 HydrophobicContact CG-CB 4.49Å; F86-L103 HydrophobicContact CG-CD1 3.84Å; F86-L103 HydrophobicContact CZ-CB 3.83Å; A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 PolarHBondContact O-N 3.15Å; R100-L103 PolarHBondContact O-N 2.91Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 3.21Å; L103-I106 PolarHBondContact O-N 2.82Å; L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.33Å; L103-I117 HydrophobicContact CD1-CG2 4.18Å; L103-L139 HydrophobicContact CD2-CB 4.26Å; L103-L139 HydrophobicContact CD2-CD1 4.04Å; L103-L139 HydrophobicContact CD2-CD2 4.48Å; L103-L141 HydrophobicContact CD2-CD2 3.44Å; L103-L141 VanDerWaalsContact CD2-CD2 3.44Å; L103-L144 HydrophobicContact CD1-CD1 4.47Å; L103-L144 HydrophobicContact CD2-CD1 4.01Å; L103-L144 HydrophobicContact CG-CD1 4.06Å |
| 104 | H | 98.5 | Very high | 97.2 | Very high | 32 Ų | 32 | 58.3 Ų | 58.3 | 15% | 0.148 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 179.4 | -79.8 | -106.5 | 0 | 0 | 0 | 111.5 | R100 E102 A107 T108 L139 L144 | R100-H104 PolarHBondContact O-CD2 3.2Å; R100-H104 PolarHBondContact O-N 2.87Å; E102-H104 PolarHBondContact O-N 2.82Å; H104-A107 PolarHBondContact O-N 3.49Å; H104-T108 WeakPolarHBondContact O-CB 3.38Å; H104-T108 VanDerWaalsContact O-CG2 3.31Å; H104-T108 WeakPolarHBondContact O-CG2 3.49Å; H104-T108 PolarHBondContact O-N 2.82Å; H104-T108 PolarHBondContact O-OG1 2.8Å; H104-L139 PolarHBondContact NE2-O 2.86Å; H104-L144 VanDerWaalsContact CE1-CD2 3.42Å; H104-L144 WeakPolarHBondContact CE1-CD2 3.29Å; H104-L144 WeakPolarHBondContact ND1-CD2 3.45Å |
| 105 | R | 97.7 | Very high | 97 | Very high | 129 Ų | 129 | 51 Ų | 51 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.6 | -161.7 | -179 | -45.6 | 98.6 | -2 | 112.1 | Q101 E102 L103 T108 | Q101-R105 WeakPolarHBondContact O-CB 3.33Å; Q101-R105 PolarHBondContact O-N 2.81Å; E102-R105 PolarHBondContact O-N 2.94Å; E102-R105 IonicContact OE1-CZ 3.2Å; E102-R105 IonicContact OE1-NH1 2.72Å; E102-R105 PolarHBondContact OE1-NH1 3.42Å; E102-R105 IonicContact OE1-NH2 2.78Å; E102-R105 PolarHBondContact OE1-NH2 2.84Å; E102-R105 IonicContact OE2-CZ 3.88Å; E102-R105 IonicContact OE2-NH1 2.74Å; E102-R105 PolarHBondContact OE2-NH1 3.31Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 3.21Å; R105-T108 PolarHBondContact O-OG1 2.91Å |
| 106 | I | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -50.1 | 175.7 | -63 | 154.5 | 0 | 0 | 0 | 110.5 | L19 W74 F78 L84 F86 E102 L103 T108 D109 M112 | L19-I106 HydrophobicContact CB-CD1 4.18Å; L19-I106 HydrophobicContact CD1-CD1 3.53Å; L19-I106 HydrophobicContact CD1-CG1 3.98Å; L19-I106 HydrophobicContact CD1-CG2 4.28Å; W74-I106 HydrophobicContact CE3-CD1 3.73Å; W74-I106 HydrophobicContact CE3-CG1 4.07Å; W74-I106 HydrophobicContact CZ3-CD1 3.65Å; W74-I106 HydrophobicContact CZ3-CG1 4.36Å; F78-I106 HydrophobicContact CE1-CG1 4.32Å; F78-I106 HydrophobicContact CE1-CG2 4Å; F78-I106 HydrophobicContact CZ-CB 4.2Å; F78-I106 HydrophobicContact CZ-CG1 3.93Å; F78-I106 HydrophobicContact CZ-CG2 3.93Å; L84-I106 HydrophobicContact CD1-CG2 4.36Å; L84-I106 HydrophobicContact CD2-CB 4.49Å; L84-I106 HydrophobicContact CD2-CG2 3.79Å; F86-I106 HydrophobicContact CD2-CD1 4.08Å; F86-I106 HydrophobicContact CE2-CD1 3.77Å; E102-I106 WeakPolarHBondContact O-CD1 3.33Å; E102-I106 VanDerWaalsContact O-CG1 3.31Å; E102-I106 WeakPolarHBondContact O-CG1 3.44Å; E102-I106 PolarHBondContact O-N 2.92Å; L103-I106 PolarHBondContact O-N 2.82Å; I106-T108 VanDerWaalsContact C-N 3.3Å; I106-T108 PolarHBondContact O-N 3.1Å; I106-D109 WeakPolarHBondContact O-CB 3.43Å; I106-D109 PolarHBondContact O-N 2.91Å; I106-D109 VanDerWaalsContact O-N 3.17Å; I106-M112 HydrophobicContact CG2-CE 4.03Å; I106-M112 HydrophobicContact CG2-CG 3.96Å; I106-M112 VanDerWaalsContact O-CB 3.31Å; I106-M112 WeakPolarHBondContact O-CB 3.15Å; I106-M112 WeakPolarHBondContact O-CG 3.48Å |
| 107 | A | 97.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -32 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L103 H104 D109 I117 L144 H147 | L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.33Å; H104-A107 PolarHBondContact O-N 3.49Å; A107-D109 VanDerWaalsContact C-N 3.29Å; A107-D109 PolarHBondContact O-N 3.49Å; A107-I117 HydrophobicContact CB-CD1 3.98Å; A107-L144 HydrophobicContact CB-CD1 4.35Å; A107-L144 HydrophobicContact CB-CD2 3.73Å; A107-H147 PolarHBondContact O-NE2 3.48Å |
| 108 | T | 95.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 43.9 Ų | 43.9 | 63% | 0.632 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.8 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | H104 R105 I106 | H104-T108 WeakPolarHBondContact O-CB 3.38Å; H104-T108 VanDerWaalsContact O-CG2 3.31Å; H104-T108 WeakPolarHBondContact O-CG2 3.49Å; H104-T108 PolarHBondContact O-N 2.82Å; H104-T108 PolarHBondContact O-OG1 2.8Å; R105-T108 PolarHBondContact O-OG1 2.91Å; I106-T108 VanDerWaalsContact C-N 3.3Å; I106-T108 PolarHBondContact O-N 3.1Å |
| 109 | D | 97.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -68.7 | 135.6 | 174.9 | -166.4 | -67.6 | 0 | 0 | 0 | 110.9 | F78 I106 A107 E111 M112 Q113 | F78-D109 HydrophobicContact CD2-CB 3.77Å; F78-D109 VanDerWaalsContact CD2-CG 3.41Å; F78-D109 HydrophobicContact CE2-CB 3.65Å; I106-D109 WeakPolarHBondContact O-CB 3.43Å; I106-D109 PolarHBondContact O-N 2.91Å; I106-D109 VanDerWaalsContact O-N 3.17Å; A107-D109 VanDerWaalsContact C-N 3.29Å; A107-D109 PolarHBondContact O-N 3.49Å; D109-E111 PolarHBondContact O-N 2.94Å; D109-E111 VanDerWaalsContact O-N 3.16Å; D109-E111 WeakPolarHBondContact OD1-CB 3.48Å; D109-E111 PolarHBondContact OD1-N 3.4Å; D109-M112 HydrophobicContact CB-CG 4.39Å; D109-M112 PolarHBondContact O-N 2.91Å; D109-Q113 PolarHBondContact O-N 3.46Å |
| 110 | R | 95.5 | Very high | 96.9 | Very high | 185 Ų | 185 | 41.3 Ų | 41.3 | 70% | 0.698 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -55.7 | -36.1 | -177.8 | 80.8 | 179.8 | -167.7 | -172.7 | 0.9 | 112.5 | M112 Q113 | R110-M112 PolarHBondContact O-N 2.87Å; R110-Q113 WeakPolarHBondContact O-CB 3.42Å; R110-Q113 PolarHBondContact O-N 3.24Å |
| 111 | E | 96.2 | Very high | 96.9 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -70.1 | -27.9 | -175.7 | -62 | -66.7 | 142.3 | 0 | 0 | 110.4 | F78 T79 D109 R176 | F78-E111 HydrophobicContact CB-CB 3.7Å; F78-E111 HydrophobicContact CB-CG 4.48Å; T79-E111 PolarHBondContact OG1-OE2 3.37Å; D109-E111 PolarHBondContact O-N 2.94Å; D109-E111 VanDerWaalsContact O-N 3.16Å; D109-E111 WeakPolarHBondContact OD1-CB 3.48Å; D109-E111 PolarHBondContact OD1-N 3.4Å; E111-R176 PolarHBondContact O-NH1 3.5Å; E111-R176 PolarHBondContact O-NH2 2.87Å |
| 112 | M | 95.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -89.2 | -8.4 | 180 | -64.6 | -59.8 | -64.3 | 0 | 0 | 113.7 | F78 L84 I106 D109 R110 G114 A115 H147 | F78-M112 HydrophobicContact CB-CG 4.02Å; F78-M112 HydrophobicContact CB-SD 3.84Å; F78-M112 HydrophobicContact CD1-CG 4.14Å; F78-M112 HydrophobicContact CD1-SD 3.98Å; F78-M112 HydrophobicContact CD2-CG 3.83Å; F78-M112 HydrophobicContact CE2-CG 4.3Å; F78-M112 HydrophobicContact CG-CG 3.74Å; F78-M112 HydrophobicContact CG-SD 3.9Å; L84-M112 HydrophobicContact CB-CE 3.84Å; L84-M112 HydrophobicContact CD1-CE 4.46Å; I106-M112 HydrophobicContact CG2-CE 4.03Å; I106-M112 HydrophobicContact CG2-CG 3.96Å; I106-M112 VanDerWaalsContact O-CB 3.31Å; I106-M112 WeakPolarHBondContact O-CB 3.15Å; I106-M112 WeakPolarHBondContact O-CG 3.48Å; D109-M112 HydrophobicContact CB-CG 4.39Å; D109-M112 PolarHBondContact O-N 2.91Å; R110-M112 PolarHBondContact O-N 2.87Å; M112-G114 PolarHBondContact O-N 2.85Å; M112-A115 HydrophobicContact CE-CB 4.04Å; M112-A115 WeakPolarHBondContact O-CB 3.35Å; M112-A115 PolarHBondContact O-N 2.88Å; M112-H147 PolarHBondContact O-CE1 2.95Å; M112-H147 VanDerWaalsContact O-CE1 3.23Å |
| 113 | Q | 92.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 36.5 Ų | 36.5 | 59% | 0.589 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 119.2 | -175.5 | -80.9 | -175.6 | -9.9 | 0 | 0 | 114.1 | D109 R110 A115 R176 | D109-Q113 PolarHBondContact O-N 3.46Å; R110-Q113 WeakPolarHBondContact O-CB 3.42Å; R110-Q113 PolarHBondContact O-N 3.24Å; Q113-A115 PolarHBondContact O-N 3.19Å; Q113-R176 VanDerWaalsContact O-CZ 3.3Å; Q113-R176 PolarHBondContact O-NH2 2.96Å |
| 114 | G | 89.6 | Confident | 96.9 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 32% | 0.32 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 5.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M112 | M112-G114 PolarHBondContact O-N 2.85Š|
| 115 | A | 95.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | trans | -63.4 | 136.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q82 M112 Q113 H147 | Q82-A115 WeakPolarHBondContact O-CA 2.93Å; M112-A115 HydrophobicContact CE-CB 4.04Å; M112-A115 WeakPolarHBondContact O-CB 3.35Å; M112-A115 PolarHBondContact O-N 2.88Å; Q113-A115 PolarHBondContact O-N 3.19Å; A115-H147 PolarHBondContact O-ND1 3.32Å | ||
| 116 | V | 96.7 | Very high | 97 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 142 | 173.3 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | Q82 G83 L84 I148 W168 L169 N172 | Q82-V116 PolarHBondContact O-N 3.42Å; G83-V116 CarbonylContact C-O 3.55Å; G83-V116 VanDerWaalsContact CA-O 3.25Å; G83-V116 WeakPolarHBondContact CA-O 3.34Å; L84-V116 PolarHBondContact N-O 3.36Å; V116-I148 WeakPolarHBondContact CA-O 3.27Å; V116-I148 HydrophobicContact CG1-CB 4.25Å; V116-W168 HydrophobicContact CB-CH2 4.42Å; V116-W168 HydrophobicContact CB-CZ3 4.47Å; V116-L169 HydrophobicContact CG2-CD1 3.58Å; V116-N172 HydrophobicContact CG1-CB 4.32Å; V116-N172 WeakPolarHBondContact CG1-O 3.2Å |
| 117 | I | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 105.9 | -175.2 | -56.2 | 177.9 | 0 | 0 | 0 | 109.8 | L84 L103 A107 V119 L144 H147 I148 W149 Y150 | L84-I117 HydrophobicContact CB-CG1 4.32Å; L84-I117 HydrophobicContact CD2-CG1 4.34Å; L84-I117 HydrophobicContact CD2-CG2 4.19Å; L84-I117 WeakPolarHBondContact O-CA 3.43Å; L103-I117 HydrophobicContact CD1-CG2 4.18Å; A107-I117 HydrophobicContact CB-CD1 3.98Å; I117-V119 HydrophobicContact CG2-CG2 4.14Å; I117-L144 HydrophobicContact CD1-CD1 3.95Å; I117-H147 HydrophobicContact CD1-CB 3.76Å; I117-H147 HydrophobicContact CG1-CB 4.19Å; I117-I148 PolarHBondContact N-O 3.36Å; I117-W149 HydrophobicContact CB-CB 4.03Å; I117-W149 CarbonylContact O-C 3.53Å; I117-W149 WeakPolarHBondContact O-CA 3.45Å; I117-W149 WeakPolarHBondContact O-CB 3.28Å; I117-Y150 PolarHBondContact O-N 2.88Å |
| 118 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.2 | 167.4 | 175.3 | 64 | 0 | 0 | 0 | 108.8 | L84 I85 F86 F120 Y150 Q152 G165 W168 L169 | L84-L118 PolarHBondContact O-N 3.49Å; I85-L118 CarbonylContact C-O 3.45Å; I85-L118 VanDerWaalsContact CA-O 3.3Å; I85-L118 WeakPolarHBondContact CA-O 3.47Å; I85-L118 HydrophobicContact CD1-CD2 4.5Å; I85-L118 HydrophobicContact CG1-CB 4.36Å; I85-L118 HydrophobicContact CG1-CD2 4.25Å; F86-L118 PolarHBondContact N-O 3.44Å; L118-F120 HydrophobicContact CD2-CD2 4.42Å; L118-F120 HydrophobicContact CD2-CE1 4.26Å; L118-F120 HydrophobicContact CD2-CE2 3.83Å; L118-F120 HydrophobicContact CD2-CZ 3.73Å; L118-Y150 HydrophobicContact CD1-CD1 3.99Å; L118-Q152 HydrophobicContact CD1-CB 3.92Å; L118-G165 WeakPolarHBondContact CD2-O 3.48Å; L118-W168 HydrophobicContact CB-CE3 4.11Å; L118-W168 HydrophobicContact CB-CZ3 3.95Å; L118-W168 HydrophobicContact CD1-CE3 3.99Å; L118-W168 HydrophobicContact CD1-CZ3 4.48Å; L118-L169 HydrophobicContact CB-CD1 4.19Å |
| 119 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.8 | 170.5 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | F86 V88 I117 A121 I135 L139 L141 Y150 V151 Q152 | F86-V119 HydrophobicContact CB-CG2 4.45Å; F86-V119 CarbonylContact O-C 3.59Å; F86-V119 VanDerWaalsContact O-CA 3.22Å; F86-V119 WeakPolarHBondContact O-CA 3.17Å; V88-V119 HydrophobicContact CG2-CG1 4.12Å; I117-V119 HydrophobicContact CG2-CG2 4.14Å; V119-A121 PolarHBondContact O-N 3.41Å; V119-I135 HydrophobicContact CG1-CG2 4.26Å; V119-L139 HydrophobicContact CG1-CD1 3.9Å; V119-L139 HydrophobicContact CG2-CD1 4.33Å; V119-L141 HydrophobicContact CG2-CD1 4.11Å; V119-L141 HydrophobicContact CG2-CD2 4.33Å; V119-Y150 PolarHBondContact N-O 3.32Å; V119-V151 HydrophobicContact CB-CG1 4.36Å; V119-V151 HydrophobicContact CB-CG2 4.17Å; V119-V151 HydrophobicContact CG1-CG1 4.3Å; V119-V151 CarbonylContact O-C 3.54Å; V119-V151 WeakPolarHBondContact O-CA 3.46Å; V119-Q152 PolarHBondContact O-N 3.3Å |
| 120 | F | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 111.2 | 165.4 | -81.8 | -56.5 | 0 | 0 | 0 | 109.2 | I29 I85 F86 V87 V88 L118 N122 Q152 L162 | I29-F120 HydrophobicContact CD1-CB 4.09Å; I29-F120 HydrophobicContact CD1-CD2 3.85Å; I29-F120 HydrophobicContact CD1-CG 4.12Å; I29-F120 HydrophobicContact CG2-CD2 4.4Å; I29-F120 HydrophobicContact CG2-CE2 4.16Å; I85-F120 HydrophobicContact CD1-CE2 4.36Å; I85-F120 HydrophobicContact CG2-CD2 3.5Å; I85-F120 VanDerWaalsContact CG2-CD2 3.5Å; I85-F120 HydrophobicContact CG2-CE2 3.88Å; F86-F120 PolarHBondContact O-N 2.88Å; V87-F120 HydrophobicContact CG1-CB 4.42Å; V87-F120 HydrophobicContact CG2-CB 4.49Å; V88-F120 PolarHBondContact N-O 3.07Å; L118-F120 HydrophobicContact CD2-CD2 4.42Å; L118-F120 HydrophobicContact CD2-CE1 4.26Å; L118-F120 HydrophobicContact CD2-CE2 3.83Å; L118-F120 HydrophobicContact CD2-CZ 3.73Å; F120-N122 VanDerWaalsContact C-N 3.27Å; F120-N122 PolarHBondContact O-N 2.89Å; F120-N122 VanDerWaalsContact O-N 3.08Å; F120-Q152 HydrophobicContact CD1-CB 3.95Å; F120-Q152 HydrophobicContact CD1-CG 3.99Å; F120-Q152 HydrophobicContact CE1-CB 4.02Å; F120-Q152 HydrophobicContact CE1-CG 3.73Å; F120-L162 HydrophobicContact CD1-CD2 4.29Å; F120-L162 HydrophobicContact CE1-CD2 3.94Å; F120-L162 HydrophobicContact CE2-CD2 4.4Å; F120-L162 HydrophobicContact CZ-CD2 4Å |
| 121 | A | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 83.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S90 V119 Q124 P132 I135 V151 Q152 S154 | S90-A121 PolarHBondContact OG-O 3.5Å; V119-A121 PolarHBondContact O-N 3.41Å; A121-Q124 VanDerWaalsContact O-CG 3.28Å; A121-Q124 WeakPolarHBondContact O-CG 3.33Å; A121-P132 HydrophobicContact CB-CG 4.48Å; A121-I135 HydrophobicContact CB-CD1 3.44Å; A121-I135 VanDerWaalsContact CB-CD1 3.44Å; A121-V151 HydrophobicContact CB-CG1 3.9Å; A121-Q152 PolarHBondContact N-O 2.98Å; A121-S154 PolarHBondContact O-N 2.94Å; A121-S154 PolarHBondContact O-OG 3.14Å |
| 122 | N | 98.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 161.9 | -170.4 | -171.7 | 34 | 0 | 0 | 0 | 112.2 | A24 V87 V88 S90 F120 S154 A156 | A24-N122 PolarHBondContact O-ND2 2.97Å; V87-N122 HydrophobicContact CG1-CB 3.92Å; V88-N122 WeakPolarHBondContact O-CB 3.24Å; V88-N122 PolarHBondContact O-N 3.04Å; S90-N122 WeakPolarHBondContact CB-O 3.32Å; S90-N122 PolarHBondContact N-O 2.8Å; S90-N122 PolarHBondContact OG-N 3.3Å; S90-N122 PolarHBondContact OG-O 3.15Å; F120-N122 VanDerWaalsContact C-N 3.27Å; F120-N122 PolarHBondContact O-N 2.89Å; F120-N122 VanDerWaalsContact O-N 3.08Å; N122-S154 CarbonylContact C-O 3.58Å; N122-S154 WeakPolarHBondContact CA-O 3.38Å; N122-S154 VanDerWaalsContact CA-OG 3.31Å; N122-S154 WeakPolarHBondContact CA-OG 3.3Å; N122-A156 VanDerWaalsContact OD1-CB 3.3Å; N122-A156 WeakPolarHBondContact OD1-CB 3.43Å; N122-A156 PolarHBondContact OD1-N 2.9Å |
| 123 | K | 98.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 21% | 0.213 | 23% | 0.23 | C | C | . | . | trans | 64.9 | 37.2 | -179 | -45.1 | -168.3 | -166.8 | 170.2 | 0 | 113.9 | A23 D89 D125 L126 V129 S154 | A23-K123 VanDerWaalsContact O-CE 3.28Å; A23-K123 WeakPolarHBondContact O-CE 3.41Å; A23-K123 PolarHBondContact O-NZ 2.86Å; D89-K123 WeakPolarHBondContact OD2-CD 3.46Å; D89-K123 VanDerWaalsContact OD2-CE 3.27Å; D89-K123 WeakPolarHBondContact OD2-CE 3.34Å; D89-K123 IonicContact OD2-NZ 3.04Å; D89-K123 PolarHBondContact OD2-NZ 3.26Å; K123-D125 VanDerWaalsContact C-OD1 3.28Å; K123-D125 WeakPolarHBondContact CA-OD1 3.16Å; K123-D125 PolarHBondContact O-N 2.61Å; K123-D125 VanDerWaalsContact O-N 3.12Å; K123-L126 HydrophobicContact CB-CD1 3.76Å; K123-L126 HydrophobicContact CB-CG 4.06Å; K123-L126 HydrophobicContact CD-CD1 3.78Å; K123-L126 HydrophobicContact CG-CD1 4.41Å; K123-L126 PolarHBondContact O-N 3.04Å; K123-L126 VanDerWaalsContact O-N 3.15Å; K123-V129 VanDerWaalsContact O-CG1 3.23Å; K123-V129 WeakPolarHBondContact O-CG1 3.49Å; K123-S154 PolarHBondContact N-O 2.89Å; K123-S154 VanDerWaalsContact N-O 3.09Å | ||
| 124 | Q | 98.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.7 | 177.8 | -71.4 | -71.6 | -48.5 | 0 | 0 | 114.1 | S90 A121 L126 M130 P153 S154 V155 | S90-Q124 PolarHBondContact OG-NE2 3.2Å; A121-Q124 VanDerWaalsContact O-CG 3.28Å; A121-Q124 WeakPolarHBondContact O-CG 3.33Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; Q124-M130 PolarHBondContact NE2-O 2.68Å; Q124-P153 HydrophobicContact CG-CB 4.03Å; Q124-S154 PolarHBondContact N-O 3.08Å; Q124-S154 VanDerWaalsContact N-O 3.17Å; Q124-V155 HydrophobicContact CB-CG2 4.09Å |
| 125 | D | 98.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.8 | 174.1 | 60.1 | -53.2 | 0 | 0 | 0 | 113.8 | K123 V155 | K123-D125 VanDerWaalsContact C-OD1 3.28Å; K123-D125 WeakPolarHBondContact CA-OD1 3.16Å; K123-D125 PolarHBondContact O-N 2.61Å; K123-D125 VanDerWaalsContact O-N 3.12Å; D125-V155 HydrophobicContact CB-CG1 3.93Å; D125-V155 HydrophobicContact CB-CG2 3.92Å; D125-V155 WeakPolarHBondContact OD1-CG1 3.38Å |
| 126 | L | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -79.6 | 155.6 | 178.6 | -64 | -177 | 0 | 0 | 0 | 112.2 | S91 K123 Q124 V129 | S91-L126 WeakPolarHBondContact OG-CD1 3.39Å; K123-L126 HydrophobicContact CB-CD1 3.76Å; K123-L126 HydrophobicContact CB-CG 4.06Å; K123-L126 HydrophobicContact CD-CD1 3.78Å; K123-L126 HydrophobicContact CG-CD1 4.41Å; K123-L126 PolarHBondContact O-N 3.04Å; K123-L126 VanDerWaalsContact O-N 3.15Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; L126-V129 HydrophobicContact CB-CG1 3.84Å; L126-V129 WeakPolarHBondContact O-CG1 3.46Å |
| 127 | P | 97 | Very high | 98.4 | Very high | 102 Ų | 102 | 47.5 Ų | 47.5 | 66% | 0.662 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 155.8 | 174.1 | 29.1 | -35.4 | 0 | 0 | 0 | 111.8 | V129 | P127-V129 PolarHBondContact O-N 2.96Š|
| 128 | N | 95.6 | Very high | 98.4 | Very high | 141 Ų | 141 | 52.2 Ų | 52.2 | 75% | 0.754 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 21.2 | 173.6 | -58.8 | -30.7 | 0 | 0 | 0 | 116 | R93 | R93-N128 PolarHBondContact NE-O 3.12Å; R93-N128 PolarHBondContact NH2-O 3.39Å |
| 129 | V | 98.4 | Very high | 98.4 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 144.3 | 178.8 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | S90 R93 K123 L126 P127 | S90-V129 CarbonylContact O-C 3.53Å; S90-V129 WeakPolarHBondContact O-CA 3.5Å; R93-V129 PolarHBondContact NH2-O 2.81Å; K123-V129 VanDerWaalsContact O-CG1 3.23Å; K123-V129 WeakPolarHBondContact O-CG1 3.49Å; L126-V129 HydrophobicContact CB-CG1 3.84Å; L126-V129 WeakPolarHBondContact O-CG1 3.46Å; P127-V129 PolarHBondContact O-N 2.96Å |
| 130 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -66 | 131.4 | 164.5 | -63.1 | 175.7 | -77.9 | 0 | 0 | 109.2 | S90 D92 R93 I96 Q124 E134 I135 R138 | S90-M130 WeakPolarHBondContact O-CE 3.28Å; S90-M130 PolarHBondContact O-N 3.48Å; D92-M130 WeakPolarHBondContact O-CE 3.29Å; R93-M130 HydrophobicContact CG-CE 4.2Å; R93-M130 HydrophobicContact CG-CG 3.87Å; R93-M130 HydrophobicContact CG-SD 4.05Å; R93-M130 VanDerWaalsContact CZ-CG 3.5Å; I96-M130 HydrophobicContact CB-CE 4.09Å; I96-M130 HydrophobicContact CB-SD 4.17Å; I96-M130 HydrophobicContact CD1-CE 4.09Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.14Å; I96-M130 HydrophobicContact CG1-SD 3.98Å; I96-M130 HydrophobicContact CG2-SD 4.41Å; Q124-M130 PolarHBondContact NE2-O 2.68Å; M130-E134 WeakPolarHBondContact CA-OE2 3.47Å; M130-E134 HydrophobicContact CB-CB 4.35Å; M130-E134 HydrophobicContact CB-CG 4.27Å; M130-E134 HydrophobicContact CG-CG 4.32Å; M130-I135 HydrophobicContact CB-CD1 4.04Å; M130-I135 HydrophobicContact CB-CG1 3.64Å; M130-I135 HydrophobicContact SD-CG1 4.48Å; M130-R138 VanDerWaalsContact SD-CD 3.55Å |
| 131 | K | 98.3 | Very high | 98.4 | Very high | 123 Ų | 123 | 55.2 Ų | 55.2 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 158.4 | 175 | -61.4 | -57 | -178.3 | -174 | 0 | 110.3 | N133 E134 I135 | K131-N133 PolarHBondContact O-N 2.91Å; K131-N133 VanDerWaalsContact O-N 3.14Å; K131-E134 WeakPolarHBondContact O-CA 3.1Å; K131-E134 WeakPolarHBondContact O-CB 3.34Å; K131-E134 PolarHBondContact O-N 3.11Å; K131-I135 PolarHBondContact O-N 3.19Å |
| 132 | P | 98.4 | Very high | 98.3 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -49.5 | -41.4 | -179.4 | -32.5 | 37.7 | 0 | 0 | 0 | 114.7 | A121 I135 Q136 V151 P153 | A121-P132 HydrophobicContact CB-CG 4.48Å; P132-I135 PolarHBondContact O-N 3.28Å; P132-Q136 WeakPolarHBondContact O-CB 3.43Å; P132-Q136 PolarHBondContact O-N 3.08Å; P132-V151 HydrophobicContact CB-CB 4.38Å; P132-V151 HydrophobicContact CB-CG1 3.89Å; P132-P153 HydrophobicContact CG-CB 3.67Å; P132-P153 HydrophobicContact CG-CG 3.91Å |
| 133 | N | 98.3 | Very high | 98.2 | Very high | 113 Ų | 113 | 66.4 Ų | 66.4 | 60% | 0.604 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 177.2 | -65.2 | -3.2 | 0 | 0 | 0 | 112.3 | K131 I135 Q136 E137 | K131-N133 PolarHBondContact O-N 2.91Å; K131-N133 VanDerWaalsContact O-N 3.14Å; N133-I135 VanDerWaalsContact C-N 3.35Å; N133-I135 PolarHBondContact O-N 3.31Å; N133-Q136 WeakPolarHBondContact O-CB 3.39Å; N133-Q136 PolarHBondContact O-N 3.33Å; N133-E137 WeakPolarHBondContact O-CG 3.5Å; N133-E137 PolarHBondContact O-N 3.36Å |
| 134 | E | 98.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.2 | -175.8 | -178.9 | 179.7 | 0 | 0 | 110.8 | R93 M130 K131 E137 R138 | R93-E134 IonicContact CZ-OE1 3.88Å; R93-E134 IonicContact CZ-OE2 3.26Å; R93-E134 IonicContact NH1-OE1 2.68Å; R93-E134 PolarHBondContact NH1-OE1 3.24Å; R93-E134 IonicContact NH1-OE2 3.66Å; R93-E134 PolarHBondContact NH1-OE2 3.05Å; R93-E134 IonicContact NH2-OE1 2.66Å; R93-E134 IonicContact NH2-OE2 2.76Å; R93-E134 PolarHBondContact NH2-OE2 3.09Å; M130-E134 WeakPolarHBondContact CA-OE2 3.47Å; M130-E134 HydrophobicContact CB-CB 4.35Å; M130-E134 HydrophobicContact CB-CG 4.27Å; M130-E134 HydrophobicContact CG-CG 4.32Å; K131-E134 WeakPolarHBondContact O-CA 3.1Å; K131-E134 WeakPolarHBondContact O-CB 3.34Å; K131-E134 PolarHBondContact O-N 3.11Å; E134-E137 PolarHBondContact O-N 3.46Å; E134-R138 HydrophobicContact CG-CG 4.3Å; E134-R138 WeakPolarHBondContact O-CB 3.42Å; E134-R138 WeakPolarHBondContact O-CG 3.49Å; E134-R138 PolarHBondContact O-N 2.87Å; E134-R138 IonicContact OE1-CZ 2.91Å; E134-R138 IonicContact OE1-NE 3.11Å; E134-R138 PolarHBondContact OE1-NE 2.95Å; E134-R138 IonicContact OE1-NH2 2.86Å; E134-R138 PolarHBondContact OE1-NH2 3.01Å |
| 135 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.2 | -70.1 | 169.6 | 0 | 0 | 0 | 110.7 | V88 S90 V119 A121 M130 K131 P132 N133 E137 R138 L139 V151 | V88-I135 HydrophobicContact CG1-CD1 4.25Å; V88-I135 HydrophobicContact CG1-CG2 4.42Å; S90-I135 WeakPolarHBondContact OG-CD1 3.42Å; V119-I135 HydrophobicContact CG1-CG2 4.26Å; A121-I135 HydrophobicContact CB-CD1 3.44Å; A121-I135 VanDerWaalsContact CB-CD1 3.44Å; M130-I135 HydrophobicContact CB-CD1 4.04Å; M130-I135 HydrophobicContact CB-CG1 3.64Å; M130-I135 HydrophobicContact SD-CG1 4.48Å; K131-I135 PolarHBondContact O-N 3.19Å; P132-I135 PolarHBondContact O-N 3.28Å; N133-I135 VanDerWaalsContact C-N 3.35Å; N133-I135 PolarHBondContact O-N 3.31Å; I135-E137 VanDerWaalsContact C-N 3.32Å; I135-E137 PolarHBondContact O-N 2.85Å; I135-R138 PolarHBondContact O-N 3.48Å; I135-L139 HydrophobicContact CG2-CD1 3.56Å; I135-L139 HydrophobicContact CG2-CG 4.02Å; I135-L139 VanDerWaalsContact O-CB 3.23Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.23Å; I135-L139 WeakPolarHBondContact O-CG 3.42Å; I135-L139 PolarHBondContact O-N 3.45Å; I135-V151 HydrophobicContact CG2-CG1 4.36Å |
| 136 | Q | 98.6 | Very high | 97.5 | Very high | 67 Ų | 67 | 70.5 Ų | 70.5 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 175.3 | 175 | -173.9 | -50.3 | 0 | 0 | 111.7 | P132 N133 M140 L141 W149 V151 | P132-Q136 WeakPolarHBondContact O-CB 3.43Å; P132-Q136 PolarHBondContact O-N 3.08Å; N133-Q136 WeakPolarHBondContact O-CB 3.39Å; N133-Q136 PolarHBondContact O-N 3.33Å; Q136-M140 PolarHBondContact O-N 2.98Å; Q136-L141 HydrophobicContact CB-CD1 4.27Å; Q136-L141 HydrophobicContact CG-CB 4.29Å; Q136-L141 HydrophobicContact CG-CD1 4.17Å; Q136-L141 HydrophobicContact CG-CG 4.43Å; Q136-L141 PolarHBondContact O-N 3.04Å; Q136-W149 HydrophobicContact CG-CH2 3.7Å; Q136-W149 HydrophobicContact CG-CZ3 3.8Å; Q136-V151 HydrophobicContact CB-CG2 4.03Å |
| 137 | E | 98.7 | Very high | 97.3 | Very high | 142 Ų | 142 | 68.4 Ų | 68.4 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.8 | -50.3 | 179 | -72.4 | 172.1 | -168.2 | 0 | 0 | 111.6 | N133 E134 I135 L139 M140 | N133-E137 WeakPolarHBondContact O-CG 3.5Å; N133-E137 PolarHBondContact O-N 3.36Å; E134-E137 PolarHBondContact O-N 3.46Å; I135-E137 VanDerWaalsContact C-N 3.32Å; I135-E137 PolarHBondContact O-N 2.85Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-L139 PolarHBondContact O-N 3.37Å; E137-M140 WeakPolarHBondContact O-CA 3.48Å; E137-M140 PolarHBondContact O-N 2.85Å |
| 138 | R | 98.7 | Very high | 97.3 | Very high | 102 Ų | 102 | 67.2 Ų | 67.2 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -35.6 | -179.2 | -72.6 | -176.5 | 176.2 | -102.9 | 0.4 | 112.7 | I96 R100 M130 E134 I135 M140 | I96-R138 HydrophobicContact CG1-CB 3.66Å; I96-R138 HydrophobicContact CG1-CG 4.41Å; R100-R138 WeakPolarHBondContact CD-O 3.3Å; M130-R138 VanDerWaalsContact SD-CD 3.55Å; E134-R138 HydrophobicContact CG-CG 4.3Å; E134-R138 WeakPolarHBondContact O-CB 3.42Å; E134-R138 WeakPolarHBondContact O-CG 3.49Å; E134-R138 PolarHBondContact O-N 2.87Å; E134-R138 IonicContact OE1-CZ 2.91Å; E134-R138 IonicContact OE1-NE 3.11Å; E134-R138 PolarHBondContact OE1-NE 2.95Å; E134-R138 IonicContact OE1-NH2 2.86Å; E134-R138 PolarHBondContact OE1-NH2 3.01Å; I135-R138 PolarHBondContact O-N 3.48Å; R138-M140 PolarHBondContact O-N 3.25Å |
| 139 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.3 | 173.1 | -66.5 | 179.7 | 0 | 0 | 0 | 113 | V88 I96 A99 R100 L103 H104 V119 I135 E137 L141 | V88-L139 HydrophobicContact CG2-CD1 4.07Å; I96-L139 HydrophobicContact CD1-CD2 3.83Å; I96-L139 HydrophobicContact CD1-CG 4.22Å; A99-L139 HydrophobicContact CB-CD2 4.25Å; R100-L139 HydrophobicContact CB-CD2 4.11Å; L103-L139 HydrophobicContact CD2-CB 4.26Å; L103-L139 HydrophobicContact CD2-CD1 4.04Å; L103-L139 HydrophobicContact CD2-CD2 4.48Å; H104-L139 PolarHBondContact NE2-O 2.86Å; V119-L139 HydrophobicContact CG1-CD1 3.9Å; V119-L139 HydrophobicContact CG2-CD1 4.33Å; I135-L139 HydrophobicContact CG2-CD1 3.56Å; I135-L139 HydrophobicContact CG2-CG 4.02Å; I135-L139 VanDerWaalsContact O-CB 3.23Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.23Å; I135-L139 WeakPolarHBondContact O-CG 3.42Å; I135-L139 PolarHBondContact O-N 3.45Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-L139 PolarHBondContact O-N 3.37Å; L139-L141 VanDerWaalsContact C-N 3.26Å; L139-L141 HydrophobicContact CB-CD2 3.63Å; L139-L141 HydrophobicContact CB-CG 3.93Å; L139-L141 HydrophobicContact CD1-CD2 4.1Å; L139-L141 PolarHBondContact O-N 3.05Å |
| 140 | M | 98.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 67.4 Ų | 67.4 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 44.5 | -177.3 | -56.8 | -173 | -177.4 | 0 | 0 | 112.7 | Q136 E137 R138 A142 R143 | Q136-M140 PolarHBondContact O-N 2.98Å; E137-M140 WeakPolarHBondContact O-CA 3.48Å; E137-M140 PolarHBondContact O-N 2.85Å; R138-M140 PolarHBondContact O-N 3.25Å; M140-A142 PolarHBondContact O-N 2.72Å; M140-R143 HydrophobicContact CB-CG 4.3Å; M140-R143 WeakPolarHBondContact O-CB 3.19Å; M140-R143 PolarHBondContact O-N 2.9Å |
| 141 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -60.7 | -30 | -173.9 | -60.3 | -174.8 | 0 | 0 | 0 | 112.9 | L103 V119 Q136 L139 R143 L144 W149 V151 | L103-L141 HydrophobicContact CD2-CD2 3.44Å; L103-L141 VanDerWaalsContact CD2-CD2 3.44Å; V119-L141 HydrophobicContact CG2-CD1 4.11Å; V119-L141 HydrophobicContact CG2-CD2 4.33Å; Q136-L141 HydrophobicContact CB-CD1 4.27Å; Q136-L141 HydrophobicContact CG-CB 4.29Å; Q136-L141 HydrophobicContact CG-CD1 4.17Å; Q136-L141 HydrophobicContact CG-CG 4.43Å; Q136-L141 PolarHBondContact O-N 3.04Å; L139-L141 VanDerWaalsContact C-N 3.26Å; L139-L141 HydrophobicContact CB-CD2 3.63Å; L139-L141 HydrophobicContact CB-CG 3.93Å; L139-L141 HydrophobicContact CD1-CD2 4.1Å; L139-L141 PolarHBondContact O-N 3.05Å; L141-R143 PolarHBondContact O-N 2.81Å; L141-R143 VanDerWaalsContact O-N 3.07Å; L141-L144 HydrophobicContact CD2-CD1 3.79Å; L141-L144 WeakPolarHBondContact O-CB 3.41Å; L141-L144 PolarHBondContact O-N 3.12Å; L141-W149 HydrophobicContact CB-CD2 3.71Å; L141-W149 HydrophobicContact CB-CE3 4.01Å; L141-W149 HydrophobicContact CB-CG 4.2Å; L141-W149 HydrophobicContact CB-CH2 4.3Å; L141-W149 HydrophobicContact CB-CZ2 3.97Å; L141-W149 HydrophobicContact CB-CZ3 4.3Å; L141-W149 HydrophobicContact CD1-CD2 4.02Å; L141-W149 HydrophobicContact CD1-CE3 3.59Å; L141-W149 HydrophobicContact CD1-CZ3 4.03Å; L141-W149 HydrophobicContact CG-CD2 4.48Å; L141-W149 HydrophobicContact CG-CE3 4.45Å; L141-W149 PolarHBondContact O-NE1 3.41Å; L141-W149 VanDerWaalsContact O-NE1 3.1Å; L141-V151 HydrophobicContact CD1-CG2 3.36Å |
| 142 | A | 97.5 | Very high | 97.4 | Very high | 76 Ų | 76 | 62.9 Ų | 62.9 | 63% | 0.628 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -59.3 | -19.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M140 | M140-A142 PolarHBondContact O-N 2.72Š|
| 143 | R | 97.7 | Very high | 97.4 | Very high | 163 Ų | 163 | 64 Ų | 64 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -89 | -6.6 | 176.3 | -61.2 | -175.7 | 179.8 | -171.5 | -0.9 | 113.6 | M140 L141 H145 | M140-R143 HydrophobicContact CB-CG 4.3Å; M140-R143 WeakPolarHBondContact O-CB 3.19Å; M140-R143 PolarHBondContact O-N 2.9Å; L141-R143 PolarHBondContact O-N 2.81Å; L141-R143 VanDerWaalsContact O-N 3.07Å; R143-H145 PolarHBondContact O-N 3.43Å; R143-H145 PolarHBondContact O-ND1 2.97Å |
| 144 | L | 96.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | trans | -80.6 | 61.5 | 176.3 | -59.6 | -177 | 0 | 0 | 0 | 110.7 | L103 H104 A107 I117 L141 G146 H147 | L103-L144 HydrophobicContact CD1-CD1 4.47Å; L103-L144 HydrophobicContact CD2-CD1 4.01Å; L103-L144 HydrophobicContact CG-CD1 4.06Å; H104-L144 VanDerWaalsContact CE1-CD2 3.42Å; H104-L144 WeakPolarHBondContact CE1-CD2 3.29Å; H104-L144 WeakPolarHBondContact ND1-CD2 3.45Å; A107-L144 HydrophobicContact CB-CD1 4.35Å; A107-L144 HydrophobicContact CB-CD2 3.73Å; I117-L144 HydrophobicContact CD1-CD1 3.95Å; L141-L144 HydrophobicContact CD2-CD1 3.79Å; L141-L144 WeakPolarHBondContact O-CB 3.41Å; L141-L144 PolarHBondContact O-N 3.12Å; L144-G146 PolarHBondContact O-N 3.27Å; L144-H147 PolarHBondContact O-N 2.92Å | ||
| 145 | H | 91.5 | Very high | 97.5 | Very high | 156 Ų | 156 | 56.6 Ų | 56.6 | 72% | 0.722 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 138.7 | -179.3 | -54.6 | 97.6 | 0 | 0 | 0 | 111 | R143 H147 | R143-H145 PolarHBondContact O-N 3.43Å; R143-H145 PolarHBondContact O-ND1 2.97Å; H145-H147 VanDerWaalsContact C-N 3.3Å; H145-H147 PolarHBondContact O-N 2.76Å |
| 146 | G | 91.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 73% | 0.732 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -3.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | L144 | L144-G146 PolarHBondContact O-N 3.27Š|
| 147 | H | 95.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | trans | -110.1 | 131.7 | 173.9 | -62.6 | -92.7 | 0 | 0 | 0 | 111.3 | A107 M112 A115 I117 L144 H145 | A107-H147 PolarHBondContact O-NE2 3.48Å; M112-H147 PolarHBondContact O-CE1 2.95Å; M112-H147 VanDerWaalsContact O-CE1 3.23Å; A115-H147 PolarHBondContact O-ND1 3.32Å; I117-H147 HydrophobicContact CD1-CB 3.76Å; I117-H147 HydrophobicContact CG1-CB 4.19Å; L144-H147 PolarHBondContact O-N 2.92Å; H145-H147 VanDerWaalsContact C-N 3.3Å; H145-H147 PolarHBondContact O-N 2.76Å | ||
| 148 | I | 96.4 | Very high | 97.3 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | trans | -79.2 | 127.3 | 162.3 | -60.8 | 170.4 | 0 | 0 | 0 | 106.7 | V116 I117 W168 N172 | V116-I148 WeakPolarHBondContact CA-O 3.27Å; V116-I148 HydrophobicContact CG1-CB 4.25Å; I117-I148 PolarHBondContact N-O 3.36Å; I148-W168 HydrophobicContact CG2-CH2 4.09Å; I148-W168 HydrophobicContact CG2-CZ2 3.68Å; I148-N172 HydrophobicContact CG2-CB 4.22Å | ||
| 149 | W | 97.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 158.9 | -178.3 | 58.3 | -100.7 | 0 | 0 | 0 | 112.6 | I117 Q136 L141 W168 | I117-W149 HydrophobicContact CB-CB 4.03Å; I117-W149 CarbonylContact O-C 3.53Å; I117-W149 WeakPolarHBondContact O-CA 3.45Å; I117-W149 WeakPolarHBondContact O-CB 3.28Å; Q136-W149 HydrophobicContact CG-CH2 3.7Å; Q136-W149 HydrophobicContact CG-CZ3 3.8Å; L141-W149 HydrophobicContact CB-CD2 3.71Å; L141-W149 HydrophobicContact CB-CE3 4.01Å; L141-W149 HydrophobicContact CB-CG 4.2Å; L141-W149 HydrophobicContact CB-CH2 4.3Å; L141-W149 HydrophobicContact CB-CZ2 3.97Å; L141-W149 HydrophobicContact CB-CZ3 4.3Å; L141-W149 HydrophobicContact CD1-CD2 4.02Å; L141-W149 HydrophobicContact CD1-CE3 3.59Å; L141-W149 HydrophobicContact CD1-CZ3 4.03Å; L141-W149 HydrophobicContact CG-CD2 4.48Å; L141-W149 HydrophobicContact CG-CE3 4.45Å; L141-W149 PolarHBondContact O-NE1 3.41Å; L141-W149 VanDerWaalsContact O-NE1 3.1Å; W149-W168 WeakPolarHBondContact O-CZ2 3.48Å |
| 150 | Y | 98.4 | Very high | 97.2 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 146.7 | 172.7 | 177.6 | -117.6 | 0 | 0 | 0 | 111.2 | I117 L118 V119 Q152 W168 | I117-Y150 PolarHBondContact O-N 2.88Å; L118-Y150 HydrophobicContact CD1-CD1 3.99Å; V119-Y150 PolarHBondContact N-O 3.32Å; Y150-Q152 HydrophobicContact CD1-CB 4.23Å; Y150-Q152 HydrophobicContact CE1-CB 3.9Å; Y150-Q152 VanDerWaalsContact CE1-OE1 3.32Å; Y150-Q152 PolarHBondContact OH-OE1 2.92Å; Y150-W168 HydrophobicContact CD1-CB 4.07Å; Y150-W168 AromaticContact CD1-CD1 3.76Å; Y150-W168 AromaticContact CD1-CD2 3.93Å; Y150-W168 HydrophobicContact CD1-CD2 3.93Å; Y150-W168 AromaticContact CD1-CG 3.64Å; Y150-W168 HydrophobicContact CD1-CG 3.64Å; Y150-W168 HydrophobicContact CE1-CB 4.46Å; Y150-W168 HydrophobicContact CE1-CG 4.36Å; Y150-W168 AromaticContact CG-CD1 3.79Å; Y150-W168 HydrophobicContact CG-CD2 4.03Å; Y150-W168 AromaticContact CG-CE2 3.89Å; Y150-W168 HydrophobicContact CG-CG 4.01Å; Y150-W168 HydrophobicContact CG-CZ2 4.48Å; Y150-W168 AromaticContact CG-NE1 3.71Å |
| 151 | V | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112.8 | 176.5 | -170.5 | 0 | 0 | 0 | 0 | 109 | V119 A121 P132 I135 Q136 L141 | V119-V151 HydrophobicContact CB-CG1 4.36Å; V119-V151 HydrophobicContact CB-CG2 4.17Å; V119-V151 HydrophobicContact CG1-CG1 4.3Å; V119-V151 CarbonylContact O-C 3.54Å; V119-V151 WeakPolarHBondContact O-CA 3.46Å; A121-V151 HydrophobicContact CB-CG1 3.9Å; P132-V151 HydrophobicContact CB-CB 4.38Å; P132-V151 HydrophobicContact CB-CG1 3.89Å; I135-V151 HydrophobicContact CG2-CG1 4.36Å; Q136-V151 HydrophobicContact CB-CG2 4.03Å; L141-V151 HydrophobicContact CD1-CG2 3.36Å |
| 152 | Q | 98.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.9 | 178.2 | 178.9 | 57.4 | 56.1 | 0 | 0 | 109.7 | L118 V119 F120 A121 Y150 G161 | L118-Q152 HydrophobicContact CD1-CB 3.92Å; V119-Q152 PolarHBondContact O-N 3.3Å; F120-Q152 HydrophobicContact CD1-CB 3.95Å; F120-Q152 HydrophobicContact CD1-CG 3.99Å; F120-Q152 HydrophobicContact CE1-CB 4.02Å; F120-Q152 HydrophobicContact CE1-CG 3.73Å; A121-Q152 PolarHBondContact N-O 2.98Å; Y150-Q152 HydrophobicContact CD1-CB 4.23Å; Y150-Q152 HydrophobicContact CE1-CB 3.9Å; Y150-Q152 VanDerWaalsContact CE1-OE1 3.32Å; Y150-Q152 PolarHBondContact OH-OE1 2.92Å; Q152-G161 WeakPolarHBondContact CG-O 3.33Å |
| 153 | P | 98.8 | Very high | 97.1 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 138.9 | 167.4 | 23.8 | -31.4 | 0 | 0 | 0 | 109.9 | Q124 P132 G161 | Q124-P153 HydrophobicContact CG-CB 4.03Å; P132-P153 HydrophobicContact CG-CB 3.67Å; P132-P153 HydrophobicContact CG-CG 3.91Å; P153-G161 WeakPolarHBondContact O-CA 3.45Å |
| 154 | S | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | trans | -149.7 | 154.9 | -179.2 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | A121 N122 K123 Q124 E160 | A121-S154 PolarHBondContact O-N 2.94Å; A121-S154 PolarHBondContact O-OG 3.14Å; N122-S154 CarbonylContact C-O 3.58Å; N122-S154 WeakPolarHBondContact CA-O 3.38Å; N122-S154 VanDerWaalsContact CA-OG 3.31Å; N122-S154 WeakPolarHBondContact CA-OG 3.3Å; K123-S154 PolarHBondContact N-O 2.89Å; K123-S154 VanDerWaalsContact N-O 3.09Å; Q124-S154 PolarHBondContact N-O 3.08Å; Q124-S154 VanDerWaalsContact N-O 3.17Å; S154-E160 VanDerWaalsContact CA-O 3.23Å; S154-E160 WeakPolarHBondContact CA-O 3.17Å; S154-E160 WeakPolarHBondContact CB-O 3.31Å | ||
| 155 | V | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 89.1 | 168.1 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | Q124 D125 I157 K158 G159 E160 | Q124-V155 HydrophobicContact CB-CG2 4.09Å; D125-V155 HydrophobicContact CB-CG1 3.93Å; D125-V155 HydrophobicContact CB-CG2 3.92Å; D125-V155 WeakPolarHBondContact OD1-CG1 3.38Å; V155-I157 HydrophobicContact CG1-CG1 3.71Å; V155-I157 PolarHBondContact O-N 3.33Å; V155-I157 VanDerWaalsContact O-N 3.15Å; V155-K158 HydrophobicContact CB-CB 4.3Å; V155-K158 HydrophobicContact CG1-CB 3.89Å; V155-K158 HydrophobicContact CG1-CD 3.8Å; V155-K158 HydrophobicContact CG1-CG 3.76Å; V155-K158 CarbonylContact O-C 3.53Å; V155-K158 PolarHBondContact O-N 2.66Å; V155-G159 PolarHBondContact O-N 2.78Å; V155-E160 HydrophobicContact CB-CB 4.14Å; V155-E160 PolarHBondContact N-O 2.93Å; V155-E160 PolarHBondContact O-N 3.2Å |
| 156 | A | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -38.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T28 I29 R32 N122 K158 G159 | T28-A156 HydrophobicContact CG2-CB 3.89Å; I29-A156 HydrophobicContact CD1-CB 4.41Å; I29-A156 HydrophobicContact CG1-CB 3.44Å; I29-A156 VanDerWaalsContact CG1-CB 3.44Å; R32-A156 VanDerWaalsContact CG-O 3.27Å; R32-A156 WeakPolarHBondContact CG-O 3.46Å; N122-A156 VanDerWaalsContact OD1-CB 3.3Å; N122-A156 WeakPolarHBondContact OD1-CB 3.43Å; N122-A156 PolarHBondContact OD1-N 2.9Å; A156-K158 PolarHBondContact O-N 2.89Å; A156-G159 PolarHBondContact O-N 3.3Å |
| 157 | I | 97.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 44 Ų | 44 | 48% | 0.477 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.7 | -179.3 | 58.1 | 163.8 | 0 | 0 | 0 | 113.3 | T28 R32 S38 V155 | T28-I157 HydrophobicContact CG2-CG2 3.88Å; R32-I157 PolarHBondContact NH1-O 3.34Å; R32-I157 VanDerWaalsContact NH1-O 3.12Å; S38-I157 VanDerWaalsContact OG-CA 3.29Å; S38-I157 WeakPolarHBondContact OG-CA 3.44Å; S38-I157 PolarHBondContact OG-O 2.66Å; V155-I157 HydrophobicContact CG1-CG1 3.71Å; V155-I157 PolarHBondContact O-N 3.33Å; V155-I157 VanDerWaalsContact O-N 3.15Å |
| 158 | K | 96.5 | Very high | 97.8 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 46% | 0.461 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -12.1 | 177.1 | -62.3 | 178.7 | -168.7 | 173.3 | 0 | 112.8 | R32 V155 A156 E160 | R32-K158 VanDerWaalsContact CZ-C 3.48Å; R32-K158 PolarHBondContact NH2-O 3.26Å; V155-K158 HydrophobicContact CB-CB 4.3Å; V155-K158 HydrophobicContact CG1-CB 3.89Å; V155-K158 HydrophobicContact CG1-CD 3.8Å; V155-K158 HydrophobicContact CG1-CG 3.76Å; V155-K158 CarbonylContact O-C 3.53Å; V155-K158 PolarHBondContact O-N 2.66Å; A156-K158 PolarHBondContact O-N 2.89Å; K158-E160 HydrophobicContact CB-CG 3.91Å; K158-E160 WeakPolarHBondContact CD-OE1 3.23Å; K158-E160 PolarHBondContact O-N 2.85Å |
| 159 | G | 97.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 7.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V155 A156 | V155-G159 PolarHBondContact O-N 2.78Å; A156-G159 PolarHBondContact O-N 3.3Å |
| 160 | E | 98.3 | Very high | 97.4 | Very high | 103 Ų | 103 | 39.4 Ų | 39.4 | 48% | 0.481 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -68.8 | 135.2 | -179.7 | -63 | 169.7 | -165.4 | 0 | 0 | 110.4 | S154 V155 K158 L162 | S154-E160 VanDerWaalsContact CA-O 3.23Å; S154-E160 WeakPolarHBondContact CA-O 3.17Å; S154-E160 WeakPolarHBondContact CB-O 3.31Å; V155-E160 HydrophobicContact CB-CB 4.14Å; V155-E160 PolarHBondContact N-O 2.93Å; V155-E160 PolarHBondContact O-N 3.2Å; K158-E160 HydrophobicContact CB-CG 3.91Å; K158-E160 WeakPolarHBondContact CD-OE1 3.23Å; K158-E160 PolarHBondContact O-N 2.85Å; E160-L162 PolarHBondContact O-N 2.96Å |
| 161 | G | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -13.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q152 P153 E164 G165 | Q152-G161 WeakPolarHBondContact CG-O 3.33Å; P153-G161 WeakPolarHBondContact O-CA 3.45Å; G161-E164 WeakPolarHBondContact CA-OE2 3.43Å; G161-E164 PolarHBondContact N-OE2 2.63Å; G161-G165 PolarHBondContact O-N 2.86Å |
| 162 | L | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | -173.2 | -57.2 | -171.6 | 0 | 0 | 0 | 112.1 | I29 R32 L33 F120 E160 G165 L166 | I29-L162 HydrophobicContact CD1-CD2 4.39Å; I29-L162 HydrophobicContact CG1-CD2 3.98Å; I29-L162 HydrophobicContact CG2-CD1 4.37Å; I29-L162 HydrophobicContact CG2-CD2 4.09Å; R32-L162 HydrophobicContact CB-CD1 3.89Å; R32-L162 HydrophobicContact CG-CD1 3.67Å; L33-L162 HydrophobicContact CD2-CB 3.81Å; L33-L162 HydrophobicContact CD2-CD1 4.34Å; L33-L162 HydrophobicContact CG-CB 4.33Å; L33-L162 HydrophobicContact CG-CD1 4.14Å; F120-L162 HydrophobicContact CD1-CD2 4.29Å; F120-L162 HydrophobicContact CE1-CD2 3.94Å; F120-L162 HydrophobicContact CE2-CD2 4.4Å; F120-L162 HydrophobicContact CZ-CD2 4Å; E160-L162 PolarHBondContact O-N 2.96Å; L162-G165 PolarHBondContact O-N 3.15Å; L162-L166 WeakPolarHBondContact O-CG 3.23Å; L162-L166 PolarHBondContact O-N 2.89Å |
| 163 | Y | 97.2 | Very high | 96.1 | Very high | 101 Ų | 101 | 43.2 Ų | 43.2 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.2 | -30 | -178.5 | -64.9 | -67.6 | 0 | 0 | 0 | 112.7 | L33 Y54 L166 T167 | L33-Y163 HydrophobicContact CD2-CD1 4.19Å; L33-Y163 HydrophobicContact CD2-CE1 3.97Å; Y54-Y163 AromaticContact CD2-CD1 3.57Å; Y54-Y163 HydrophobicContact CD2-CD1 3.57Å; Y54-Y163 HydrophobicContact CD2-CE1 4.11Å; Y54-Y163 AromaticContact CE2-CD1 3.52Å; Y54-Y163 HydrophobicContact CE2-CD1 3.52Å; Y54-Y163 HydrophobicContact CE2-CE1 4.36Å; Y54-Y163 HydrophobicContact CE2-CG 4.15Å; Y163-L166 PolarHBondContact O-N 2.68Å; Y163-T167 WeakPolarHBondContact O-CB 3.36Å; Y163-T167 PolarHBondContact O-N 3.09Å; Y163-T167 PolarHBondContact O-OG1 3.2Å |
| 164 | E | 98.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 170.1 | -64.6 | 80.5 | 177.3 | 0 | 0 | 109.9 | G161 T167 W168 | G161-E164 WeakPolarHBondContact CA-OE2 3.43Å; G161-E164 PolarHBondContact N-OE2 2.63Å; E164-T167 WeakPolarHBondContact O-CB 3.34Å; E164-T167 PolarHBondContact O-N 3.17Å; E164-W168 PolarHBondContact O-N 2.76Å |
| 165 | G | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -48 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L118 G161 L162 T167 W168 L169 | L118-G165 WeakPolarHBondContact CD2-O 3.48Å; G161-G165 PolarHBondContact O-N 2.86Å; L162-G165 PolarHBondContact O-N 3.15Å; G165-T167 VanDerWaalsContact C-N 3.3Å; G165-T167 PolarHBondContact O-N 3.12Å; G165-W168 PolarHBondContact O-N 3.07Å; G165-L169 WeakPolarHBondContact O-CB 3.31Å; G165-L169 PolarHBondContact O-N 3.44Å |
| 166 | L | 96.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 175.8 | -68 | -171.5 | 0 | 0 | 0 | 113 | L33 V52 Y54 L162 Y163 L169 N170 | L33-L166 HydrophobicContact CD1-CD1 4.05Å; L33-L166 HydrophobicContact CD1-CD2 4.39Å; L33-L166 HydrophobicContact CD1-CG 4.37Å; L33-L166 HydrophobicContact CD2-CD1 3.66Å; L33-L166 HydrophobicContact CD2-CG 4.37Å; L33-L166 HydrophobicContact CG-CD1 4.45Å; V52-L166 HydrophobicContact CG1-CD1 4.27Å; Y54-L166 HydrophobicContact CD1-CB 3.87Å; Y54-L166 HydrophobicContact CD1-CD1 4.49Å; Y54-L166 HydrophobicContact CE1-CB 4.22Å; Y54-L166 HydrophobicContact CG-CB 4.29Å; Y54-L166 HydrophobicContact CG-CD1 4.11Å; L162-L166 WeakPolarHBondContact O-CG 3.23Å; L162-L166 PolarHBondContact O-N 2.89Å; Y163-L166 PolarHBondContact O-N 2.68Å; L166-L169 HydrophobicContact CD2-CD2 4.38Å; L166-L169 PolarHBondContact O-N 3.17Å; L166-N170 WeakPolarHBondContact O-CB 3.29Å; L166-N170 PolarHBondContact O-N 3.12Å |
| 167 | T | 96.2 | Very high | 90.2 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 173.7 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | Y54 K55 Y163 E164 G165 L169 N170 A171 | Y54-T167 WeakPolarHBondContact CE1-OG1 3.05Å; Y54-T167 PolarHBondContact OH-OG1 2.99Å; K55-T167 PolarHBondContact NZ-OG1 3.06Å; Y163-T167 WeakPolarHBondContact O-CB 3.36Å; Y163-T167 PolarHBondContact O-N 3.09Å; Y163-T167 PolarHBondContact O-OG1 3.2Å; E164-T167 WeakPolarHBondContact O-CB 3.34Å; E164-T167 PolarHBondContact O-N 3.17Å; G165-T167 VanDerWaalsContact C-N 3.3Å; G165-T167 PolarHBondContact O-N 3.12Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-L169 PolarHBondContact O-N 2.97Å; T167-N170 PolarHBondContact O-N 3.15Å; T167-A171 WeakPolarHBondContact O-CB 3.14Å; T167-A171 PolarHBondContact O-N 3.24Å |
| 168 | W | 96.5 | Very high | 89.8 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.1 | -179.4 | 91.7 | 0 | 0 | 0 | 111.7 | V116 L118 I148 W149 Y150 E164 G165 N170 A171 N172 | V116-W168 HydrophobicContact CB-CH2 4.42Å; V116-W168 HydrophobicContact CB-CZ3 4.47Å; L118-W168 HydrophobicContact CB-CE3 4.11Å; L118-W168 HydrophobicContact CB-CZ3 3.95Å; L118-W168 HydrophobicContact CD1-CE3 3.99Å; L118-W168 HydrophobicContact CD1-CZ3 4.48Å; I148-W168 HydrophobicContact CG2-CH2 4.09Å; I148-W168 HydrophobicContact CG2-CZ2 3.68Å; W149-W168 WeakPolarHBondContact O-CZ2 3.48Å; Y150-W168 HydrophobicContact CD1-CB 4.07Å; Y150-W168 AromaticContact CD1-CD1 3.76Å; Y150-W168 AromaticContact CD1-CD2 3.93Å; Y150-W168 HydrophobicContact CD1-CD2 3.93Å; Y150-W168 AromaticContact CD1-CG 3.64Å; Y150-W168 HydrophobicContact CD1-CG 3.64Å; Y150-W168 HydrophobicContact CE1-CB 4.46Å; Y150-W168 HydrophobicContact CE1-CG 4.36Å; Y150-W168 AromaticContact CG-CD1 3.79Å; Y150-W168 HydrophobicContact CG-CD2 4.03Å; Y150-W168 AromaticContact CG-CE2 3.89Å; Y150-W168 HydrophobicContact CG-CG 4.01Å; Y150-W168 HydrophobicContact CG-CZ2 4.48Å; Y150-W168 AromaticContact CG-NE1 3.71Å; E164-W168 PolarHBondContact O-N 2.76Å; G165-W168 PolarHBondContact O-N 3.07Å; W168-N170 VanDerWaalsContact C-N 3.35Å; W168-N170 PolarHBondContact O-N 2.91Å; W168-A171 PolarHBondContact O-N 3.38Å; W168-N172 HydrophobicContact CH2-CB 4.48Å; W168-N172 HydrophobicContact CZ2-CB 4.25Å; W168-N172 PolarHBondContact NE1-ND2 3.29Å; W168-N172 PolarHBondContact O-N 3.34Å; W168-N172 PolarHBondContact O-ND2 3.46Å |
| 169 | L | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.7 | -168.4 | 70.2 | 0 | 0 | 0 | 111.5 | M14 I16 F59 I85 V116 L118 G165 L166 T167 A171 N172 Y173 | M14-L169 HydrophobicContact CE-CG 4.25Å; I16-L169 HydrophobicContact CD1-CD1 4.48Å; I16-L169 HydrophobicContact CD1-CD2 3.71Å; I16-L169 HydrophobicContact CD1-CG 4.33Å; I16-L169 HydrophobicContact CG1-CD2 4.01Å; F59-L169 HydrophobicContact CD1-CD2 4.04Å; F59-L169 HydrophobicContact CE1-CD2 3.76Å; F59-L169 HydrophobicContact CE1-CG 4.23Å; I85-L169 HydrophobicContact CD1-CD2 4.2Å; I85-L169 HydrophobicContact CG1-CD2 4.32Å; V116-L169 HydrophobicContact CG2-CD1 3.58Å; L118-L169 HydrophobicContact CB-CD1 4.19Å; G165-L169 WeakPolarHBondContact O-CB 3.31Å; G165-L169 PolarHBondContact O-N 3.44Å; L166-L169 HydrophobicContact CD2-CD2 4.38Å; L166-L169 PolarHBondContact O-N 3.17Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-L169 PolarHBondContact O-N 2.97Å; L169-A171 VanDerWaalsContact C-N 3.31Å; L169-A171 PolarHBondContact O-N 2.81Å; L169-N172 PolarHBondContact O-N 3.46Å; L169-Y173 PolarHBondContact O-N 2.81Å; L169-Y173 VanDerWaalsContact O-N 3.13Å |
| 170 | N | 92.2 | Very high | 88.9 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 176.8 | -174.1 | 30.6 | 0 | 0 | 0 | 112.9 | K12 V57 F59 L166 T167 W168 Y173 | K12-N170 PolarHBondContact NZ-OD1 3.22Å; V57-N170 VanDerWaalsContact CG2-OD1 3.29Å; V57-N170 WeakPolarHBondContact CG2-OD1 3.27Å; F59-N170 HydrophobicContact CZ-CB 4.19Å; L166-N170 WeakPolarHBondContact O-CB 3.29Å; L166-N170 PolarHBondContact O-N 3.12Å; T167-N170 PolarHBondContact O-N 3.15Å; W168-N170 VanDerWaalsContact C-N 3.35Å; W168-N170 PolarHBondContact O-N 2.91Å; N170-Y173 WeakPolarHBondContact O-CD1 3.34Å |
| 171 | A | 92.7 | Very high | 88.4 | Confident | 79 Ų | 79 | 56 Ų | 56 | 65% | 0.653 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -76.4 | -29.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T167 W168 L169 | T167-A171 WeakPolarHBondContact O-CB 3.14Å; T167-A171 PolarHBondContact O-N 3.24Å; W168-A171 PolarHBondContact O-N 3.38Å; L169-A171 VanDerWaalsContact C-N 3.31Å; L169-A171 PolarHBondContact O-N 2.81Å |
| 172 | N | 92.6 | Very high | 87.7 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -106.3 | -8.1 | -172.3 | -69.8 | -85.1 | 0 | 0 | 0 | 114.3 | V116 I148 W168 L169 N174 | V116-N172 HydrophobicContact CG1-CB 4.32Å; V116-N172 WeakPolarHBondContact CG1-O 3.2Å; I148-N172 HydrophobicContact CG2-CB 4.22Å; W168-N172 HydrophobicContact CH2-CB 4.48Å; W168-N172 HydrophobicContact CZ2-CB 4.25Å; W168-N172 PolarHBondContact NE1-ND2 3.29Å; W168-N172 PolarHBondContact O-N 3.34Å; W168-N172 PolarHBondContact O-ND2 3.46Å; L169-N172 PolarHBondContact O-N 3.46Å; N172-N174 PolarHBondContact O-N 2.77Å |
| 173 | Y | 82.1 | Confident | 86.9 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | trans | -55.6 | 141.3 | 178.6 | 92 | -62.6 | 0 | 0 | 0 | 111.7 | K12 M14 L169 N170 | K12-Y173 HydrophobicContact CD-CE1 4.32Å; K12-Y173 HydrophobicContact CD-CE2 4.3Å; K12-Y173 VanDerWaalsContact CE-CE1 3.4Å; K12-Y173 WeakPolarHBondContact CE-OH 3.15Å; M14-Y173 HydrophobicContact CE-CD2 4.22Å; M14-Y173 HydrophobicContact CE-CG 3.85Å; M14-Y173 HydrophobicContact CG-CD2 4.38Å; M14-Y173 HydrophobicContact SD-CD1 4.44Å; M14-Y173 HydrophobicContact SD-CD2 4.03Å; M14-Y173 HydrophobicContact SD-CG 3.82Å; L169-Y173 PolarHBondContact O-N 2.81Å; L169-Y173 VanDerWaalsContact O-N 3.13Å; N170-Y173 WeakPolarHBondContact O-CD1 3.34Å | ||
| 174 | N | 66.6 | Low | 86.1 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | trans | -99.4 | 121.1 | 166.9 | -71.6 | -40.5 | 0 | 0 | 0 | 108 | N172 R176 | N172-N174 PolarHBondContact O-N 2.77Å; N174-R176 VanDerWaalsContact C-N 3.31Å; N174-R176 PolarHBondContact O-N 3.33Å | ||
| 175 | S | 59.7 | Low | 85.1 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | trans | -66.6 | 95.5 | 162.2 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 176 | R | 54.1 | Low | 84 | Confident | 179 Ų | 179 | 61.8 Ų | 61.8 | 68% | 0.675 | 33% | 0.329 | S | S | * | . | trans | -63 | 0 | 155.8 | -64.1 | -167.7 | -167.8 | 163.3 | 13.2 | 108.6 | E111 Q113 N174 | E111-R176 PolarHBondContact O-NH1 3.5Å; E111-R176 PolarHBondContact O-NH2 2.87Å; Q113-R176 VanDerWaalsContact O-CZ 3.3Å; Q113-R176 PolarHBondContact O-NH2 2.96Å; N174-R176 VanDerWaalsContact C-N 3.31Å; N174-R176 PolarHBondContact O-N 3.33Å |
Retrieved 176 of 176 residues in 300.7 ms
(Link to these results)