| 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 | 36.5 | Very low | 56.3 | Low | 241 Ų | 241 | 111.8 Ų | 111.8 | 100% | 1.187 | 69% | 0.69 | S | S | * | * | 0 | 116.8 | 0 | -69.6 | -178.5 | 179.7 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.27Š| |||
| 2 | A | 35.8 | Very low | 59.4 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 87% | 0.868 | 66% | 0.664 | S | S | * | * | trans | -69.2 | 113.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S4 | A2-S4 PolarHBondContact O-N 3.08Å; A2-S4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | T | 46.2 | Very low | 62.2 | Low | 138 Ų | 138 | 104.1 Ų | 104.1 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | trans | -66.4 | 102.5 | 162.7 | 46.3 | 0 | 0 | 0 | 0 | 106.7 | M1 A5 | M1-T3 PolarHBondContact O-N 3.27Å; T3-A5 PolarHBondContact O-N 3.19Å | ||
| 4 | S | 49.4 | Very low | 64.7 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | trans | -58.4 | 109.5 | 172 | 52 | 0 | 0 | 0 | 0 | 107.9 | A2 V6 | A2-S4 PolarHBondContact O-N 3.08Å; A2-S4 VanDerWaalsContact O-N 3.1Å; S4-V6 PolarHBondContact O-N 3.02Å | ||
| 5 | A | 53.8 | Low | 66.8 | Low | 88 Ų | 88 | 97.3 Ų | 97.3 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | T3 P7 | T3-A5 PolarHBondContact O-N 3.19Å; A5-P7 VanDerWaalsContact O-CD 3.29Å; A5-P7 WeakPolarHBondContact O-CD 2.94Å; A5-P7 VanDerWaalsContact O-N 3.15Å |
| 6 | V | 56.7 | Low | 68.7 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 42% | 0.418 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -59 | 118.2 | 171.8 | -178 | 0 | 0 | 0 | 0 | 106.6 | S4 S8 L11 W60 | S4-V6 PolarHBondContact O-N 3.02Å; V6-S8 PolarHBondContact O-N 3.46Å; V6-L11 HydrophobicContact CG1-CD1 3.75Å; V6-W60 HydrophobicContact CG2-CE3 4.46Å; V6-W60 HydrophobicContact CG2-CH2 4.28Å; V6-W60 HydrophobicContact CG2-CZ3 4.03Å |
| 7 | P | 56.9 | Low | 70.3 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 136.6 | -177.6 | -19.8 | 30.8 | 0 | 0 | 0 | 109.9 | A5 D9 | A5-P7 VanDerWaalsContact O-CD 3.29Å; A5-P7 WeakPolarHBondContact O-CD 2.94Å; A5-P7 VanDerWaalsContact O-N 3.15Å; P7-D9 PolarHBondContact O-N 3.41Å |
| 8 | S | 54.8 | Low | 71.8 | Confident | 128 Ų | 128 | 81.4 Ų | 81.4 | 90% | 0.895 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -72.8 | 22.2 | 177.1 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | V6 | V6-S8 PolarHBondContact O-N 3.46Š|
| 9 | D | 61.4 | Low | 72.9 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 68% | 0.684 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -90.7 | 159.2 | 178.2 | -76.8 | -35.2 | 0 | 0 | 0 | 110.8 | P7 L11 | P7-D9 PolarHBondContact O-N 3.41Å; D9-L11 VanDerWaalsContact C-N 3.26Å; D9-L11 PolarHBondContact O-N 3.38Å |
| 10 | N | 79.8 | Confident | 74 | Confident | 175 Ų | 175 | 73.5 Ų | 73.5 | 94% | 0.936 | 44% | 0.444 | S | S | * | . | trans | -64.6 | 80.4 | -178.8 | -151.2 | 17.8 | 0 | 0 | 0 | 110.8 | ||||
| 11 | L | 88 | Confident | 74.8 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -62 | 138.6 | -176 | -70.3 | 177.5 | 0 | 0 | 0 | 110.8 | V6 D9 T13 W60 I62 | V6-L11 HydrophobicContact CG1-CD1 3.75Å; D9-L11 VanDerWaalsContact C-N 3.26Å; D9-L11 PolarHBondContact O-N 3.38Å; L11-T13 PolarHBondContact O-N 3.33Å; L11-W60 HydrophobicContact CD1-CB 4.44Å; L11-W60 HydrophobicContact CD2-CB 3.54Å; L11-I62 HydrophobicContact CB-CD1 4.26Å; L11-I62 HydrophobicContact CB-CG1 4.04Å; L11-I62 HydrophobicContact CD1-CG1 4.3Å |
| 12 | P | 93.9 | Very high | 77.4 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 38% | 0.377 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -64 | 129.8 | 173.9 | 27.3 | -32.9 | 0 | 0 | 0 | 110 | Y14 A61 I62 | P12-Y14 HydrophobicContact CB-CE1 4.48Å; P12-Y14 HydrophobicContact CB-CE2 4.39Å; P12-Y14 HydrophobicContact CG-CE2 4.35Å; P12-A61 HydrophobicContact CG-CB 4.19Å; P12-A61 WeakPolarHBondContact O-CA 3.35Å; P12-I62 PolarHBondContact O-N 2.72Å |
| 13 | T | 95.5 | Very high | 80 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.5 | 168.2 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | L11 I62 D64 | L11-T13 PolarHBondContact O-N 3.33Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.27Å; T13-I62 WeakPolarHBondContact CA-O 3.34Å; T13-I62 HydrophobicContact CG2-CB 4.27Å; T13-I62 HydrophobicContact CG2-CG2 4.21Å; T13-D64 HydrophobicContact CG2-CB 4.04Å |
| 14 | Y | 97.1 | Very high | 82.3 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116.7 | 172.2 | -58.3 | -63 | 0 | 0 | 0 | 109.6 | P12 L16 A61 I62 L63 D64 V172 I175 R176 | P12-Y14 HydrophobicContact CB-CE1 4.48Å; P12-Y14 HydrophobicContact CB-CE2 4.39Å; P12-Y14 HydrophobicContact CG-CE2 4.35Å; Y14-L16 PolarHBondContact O-N 3.22Å; Y14-A61 HydrophobicContact CD2-CB 3.71Å; Y14-A61 HydrophobicContact CE2-CB 3.48Å; Y14-A61 VanDerWaalsContact CE2-CB 3.48Å; Y14-I62 PolarHBondContact N-O 3.18Å; Y14-L63 HydrophobicContact CD2-CD2 3.91Å; Y14-D64 PolarHBondContact O-N 2.94Å; Y14-V172 HydrophobicContact CD2-CG1 3.7Å; Y14-V172 HydrophobicContact CD2-CG2 4.19Å; Y14-V172 HydrophobicContact CE2-CG1 3.53Å; Y14-V172 HydrophobicContact CG-CG1 4.43Å; Y14-I175 HydrophobicContact CD1-CG2 3.73Å; Y14-I175 HydrophobicContact CE1-CG2 3.85Å; Y14-R176 WeakPolarHBondContact OH-CG 3.36Å; Y14-R176 PolarHBondContact OH-NE 3.18Å; Y14-R176 VanDerWaalsContact OH-NE 3.17Å |
| 15 | K | 96.6 | Very high | 84.5 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 103.6 | 175.8 | -64.4 | -173.6 | 174.6 | -166 | 0 | 110.1 | D64 G85 D86 G87 | K15-D64 CarbonylContact C-O 3.57Å; K15-D64 VanDerWaalsContact CA-O 3.3Å; K15-D64 WeakPolarHBondContact CA-O 3.27Å; K15-D64 HydrophobicContact CG-CB 4.18Å; K15-G85 CarbonylContact O-C 3.46Å; K15-D86 PolarHBondContact N-OD2 3.29Å; K15-D86 PolarHBondContact O-N 2.85Å; K15-G87 PolarHBondContact O-N 3.22Å |
| 16 | L | 97.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.6 | -179.7 | -45.4 | -175.5 | 0 | 0 | 0 | 108.9 | Y14 L63 D64 V65 L66 G87 F168 L171 V172 I175 | Y14-L16 PolarHBondContact O-N 3.22Å; L16-L63 HydrophobicContact CD1-CD1 4.3Å; L16-L63 HydrophobicContact CD1-CD2 4.38Å; L16-D64 PolarHBondContact N-O 3Å; L16-V65 HydrophobicContact CB-CG2 4.19Å; L16-V65 HydrophobicContact CD1-CG2 4.2Å; L16-V65 HydrophobicContact CG-CG2 4.43Å; L16-V65 CarbonylContact O-C 3.57Å; L16-V65 WeakPolarHBondContact O-CA 3.31Å; L16-L66 PolarHBondContact O-N 3.17Å; L16-G87 WeakPolarHBondContact CA-O 3.24Å; L16-F168 HydrophobicContact CD1-CD1 4.1Å; L16-L171 HydrophobicContact CB-CD2 4.09Å; L16-L171 HydrophobicContact CD1-CD2 4.35Å; L16-L171 HydrophobicContact CD2-CD2 3.83Å; L16-L171 HydrophobicContact CD2-CG 4.1Å; L16-L171 HydrophobicContact CG-CD2 4.3Å; L16-V172 HydrophobicContact CD1-CG2 4.12Å; L16-V172 HydrophobicContact CD2-CG2 4.38Å; L16-I175 HydrophobicContact CD2-CD1 3.44Å; L16-I175 VanDerWaalsContact CD2-CD1 3.44Å |
| 17 | V | 96.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.1 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | V19 L66 T68 Y81 G87 F88 L89 | V17-V19 HydrophobicContact CG1-CG1 3.77Å; V17-L66 HydrophobicContact CG1-CD2 4.39Å; V17-T68 HydrophobicContact CG1-CG2 3.84Å; V17-Y81 HydrophobicContact CG1-CD2 3.72Å; V17-Y81 HydrophobicContact CG1-CE2 4.19Å; V17-Y81 HydrophobicContact CG1-CG 4.42Å; V17-G87 PolarHBondContact N-O 3.45Å; V17-F88 HydrophobicContact CB-CD1 3.61Å; V17-F88 HydrophobicContact CB-CE1 3.69Å; V17-F88 HydrophobicContact CB-CG 4.5Å; V17-F88 HydrophobicContact CG1-CD1 4.07Å; V17-F88 HydrophobicContact CG1-CE1 4.05Å; V17-F88 HydrophobicContact CG2-CD1 4.3Å; V17-F88 HydrophobicContact CG2-CE1 3.92Å; V17-F88 HydrophobicContact CG2-CZ 4.5Å; V17-F88 CarbonylContact O-C 3.58Å; V17-F88 VanDerWaalsContact O-CA 3.29Å; V17-F88 WeakPolarHBondContact O-CA 3.15Å; V17-L89 PolarHBondContact O-N 2.94Å |
| 18 | V | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.8 | 176.9 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | K26 V65 L66 T68 L89 V91 F168 | V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.2Å; V18-K26 HydrophobicContact CG1-CG 3.88Å; V18-V65 HydrophobicContact CG2-CG1 3.95Å; V18-L66 PolarHBondContact N-O 3.12Å; V18-T68 WeakPolarHBondContact O-CG2 3.5Å; V18-T68 PolarHBondContact O-OG1 2.76Å; V18-L89 HydrophobicContact CG1-CB 4.38Å; V18-L89 HydrophobicContact CG2-CD1 4.31Å; V18-V91 HydrophobicContact CG1-CG2 3.57Å; V18-F168 HydrophobicContact CG2-CE1 4.02Å; V18-F168 HydrophobicContact CG2-CZ 4.21Å |
| 19 | V | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 161.7 | -178.3 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | V17 T68 M82 F88 L89 I90 V91 F106 I110 | V17-V19 HydrophobicContact CG1-CG1 3.77Å; V19-T68 HydrophobicContact CG1-CG2 4.41Å; V19-M82 HydrophobicContact CG1-CE 3.88Å; V19-F88 HydrophobicContact CG1-CD1 4.25Å; V19-L89 WeakPolarHBondContact CG2-O 3.36Å; V19-L89 PolarHBondContact N-O 3.44Å; V19-I90 HydrophobicContact CG2-CB 4.4Å; V19-I90 HydrophobicContact CG2-CG1 4.02Å; V19-I90 HydrophobicContact CG2-CG2 4.5Å; V19-V91 PolarHBondContact O-N 3.46Å; V19-F106 HydrophobicContact CB-CD1 3.93Å; V19-F106 HydrophobicContact CB-CE1 4.24Å; V19-F106 HydrophobicContact CG2-CB 4.31Å; V19-F106 HydrophobicContact CG2-CD1 3.98Å; V19-F106 HydrophobicContact CG2-CG 4.3Å; V19-I110 HydrophobicContact CG2-CD1 4.28Å |
| 20 | G | 93.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | 142.6 | 166.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K26 V91 F106 | G20-K26 WeakPolarHBondContact O-CE 3.25Å; G20-K26 PolarHBondContact O-NZ 2.92Å; G20-V91 WeakPolarHBondContact CA-O 3.28Å; G20-F106 VanDerWaalsContact C-CZ 3.44Å | ||
| 21 | D | 91.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | trans | -59 | 165.1 | -177.6 | -79.3 | 7.7 | 0 | 0 | 0 | 113.6 | V24 K26 S99 H102 F106 | D21-V24 HydrophobicContact CB-CG1 3.84Å; D21-V24 VanDerWaalsContact O-CG2 3.31Å; D21-V24 WeakPolarHBondContact O-CG2 3.47Å; D21-K26 PolarHBondContact O-NZ 2.94Å; D21-S99 WeakPolarHBondContact OD2-CA 3.46Å; D21-H102 IonicContact OD1-CG 2.91Å; D21-H102 IonicContact OD1-ND1 3.28Å; D21-H102 PolarHBondContact OD1-ND1 3.05Å; D21-H102 IonicContact OD2-CE1 2.67Å; D21-H102 IonicContact OD2-CG 2.82Å; D21-H102 IonicContact OD2-ND1 3.74Å; D21-H102 PolarHBondContact OD2-ND1 2.84Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.41Å | ||
| 22 | G | 90.1 | Very high | 94.6 | Very high | 42 Ų | 42 | 20.7 Ų | 20.7 | 43% | 0.433 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 138.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112 | V24 G70 | G22-V24 VanDerWaalsContact C-N 3.26Å; G22-V24 PolarHBondContact O-N 3.21Å; G22-G70 PolarHBondContact N-O 3.26Å; G22-G70 VanDerWaalsContact N-O 3.16Å |
| 23 | G | 90.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 18 Ų | 18 | 62% | 0.619 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -1.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | G25 K127 | G23-G25 PolarHBondContact O-N 3.18Å; G23-K127 VanDerWaalsContact O-CE 3.31Å; G23-K127 WeakPolarHBondContact O-CE 2.92Å; G23-K127 PolarHBondContact O-NZ 3.49Å |
| 24 | V | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -70.1 | -14.6 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | D21 G22 K26 V91 N126 K127 | D21-V24 HydrophobicContact CB-CG1 3.84Å; D21-V24 VanDerWaalsContact O-CG2 3.31Å; D21-V24 WeakPolarHBondContact O-CG2 3.47Å; G22-V24 VanDerWaalsContact C-N 3.26Å; G22-V24 PolarHBondContact O-N 3.21Å; V24-K26 HydrophobicContact CG2-CD 4.39Å; V24-K26 HydrophobicContact CG2-CG 3.66Å; V24-V91 HydrophobicContact CB-CG1 4.36Å; V24-V91 HydrophobicContact CG2-CB 3.98Å; V24-V91 HydrophobicContact CG2-CG1 3.81Å; V24-N126 PolarHBondContact O-ND2 3.06Å; V24-K127 WeakPolarHBondContact O-CE 3.07Å |
| 25 | G | 94.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 20.7 Ų | 20.7 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 97.8 | 30.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G23 A28 L29 | G23-G25 PolarHBondContact O-N 3.18Å; G25-A28 PolarHBondContact O-N 2.87Å; G25-L29 WeakPolarHBondContact O-CG 3.43Å; G25-L29 PolarHBondContact O-N 3.39Å |
| 26 | K | 94.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.7 | -55.1 | 173.9 | -57.7 | -172.7 | -62.9 | -75.8 | 0 | 111.6 | V18 G20 D21 V24 A28 L29 T30 D67 T68 V91 | V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.2Å; V18-K26 HydrophobicContact CG1-CG 3.88Å; G20-K26 WeakPolarHBondContact O-CE 3.25Å; G20-K26 PolarHBondContact O-NZ 2.92Å; D21-K26 PolarHBondContact O-NZ 2.94Å; V24-K26 HydrophobicContact CG2-CD 4.39Å; V24-K26 HydrophobicContact CG2-CG 3.66Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.89Å; K26-L29 PolarHBondContact O-N 3.14Å; K26-L29 VanDerWaalsContact O-N 3.16Å; K26-T30 PolarHBondContact O-N 3.38Å; K26-T30 PolarHBondContact O-OG1 3.43Å; K26-T30 VanDerWaalsContact O-OG1 3.09Å; K26-D67 VanDerWaalsContact CB-OD1 3.27Å; K26-D67 WeakPolarHBondContact CB-OD1 3.38Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; K26-V91 HydrophobicContact CG-CB 4.26Å; K26-V91 HydrophobicContact CG-CG2 4.4Å |
| 27 | S | 92.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 25.3 Ų | 25.3 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 177.8 | -39.7 | 0 | 0 | 0 | 0 | 111.9 | L29 T30 I31 T45 D67 | S27-L29 PolarHBondContact O-N 3.24Å; S27-T30 PolarHBondContact O-N 2.93Å; S27-I31 WeakPolarHBondContact O-CB 3.31Å; S27-I31 WeakPolarHBondContact O-CD1 3.33Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.32Å; S27-I31 PolarHBondContact O-N 3.36Å; S27-T45 PolarHBondContact OG-OG1 3.44Å; S27-D67 VanDerWaalsContact CA-OD2 3.3Å; S27-D67 WeakPolarHBondContact CA-OD2 3.46Å; S27-D67 WeakPolarHBondContact CB-OD2 3.42Å; S27-D67 PolarHBondContact N-OD1 3.2Å; S27-D67 PolarHBondContact OG-OD2 2.89Å |
| 28 | A | 94.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 12% | 0.116 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G25 K26 Q32 F38 A157 | G25-A28 PolarHBondContact O-N 2.87Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.89Å; A28-Q32 WeakPolarHBondContact O-CB 3.09Å; A28-Q32 PolarHBondContact O-N 3.2Å; A28-F38 HydrophobicContact CB-CE2 4.24Å; A28-A157 HydrophobicContact CB-CB 3.74Å |
| 29 | L | 96.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.2 | -73.1 | 170.5 | 0 | 0 | 0 | 111.9 | G25 K26 S27 Q32 F33 V91 V124 N126 A157 V164 | G25-L29 WeakPolarHBondContact O-CG 3.43Å; G25-L29 PolarHBondContact O-N 3.39Å; K26-L29 PolarHBondContact O-N 3.14Å; K26-L29 VanDerWaalsContact O-N 3.16Å; S27-L29 PolarHBondContact O-N 3.24Å; L29-Q32 PolarHBondContact O-N 3.33Å; L29-F33 WeakPolarHBondContact O-CB 3.41Å; L29-F33 PolarHBondContact O-N 3.21Å; L29-V91 HydrophobicContact CD1-CG1 3.81Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L29-V124 HydrophobicContact CD1-CG1 4.02Å; L29-N126 HydrophobicContact CD1-CB 4.23Å; L29-A157 HydrophobicContact CD2-CB 4.01Å; L29-A157 HydrophobicContact CG-CB 4.31Å; L29-V164 HydrophobicContact CD2-CG1 4.42Å; L29-V164 HydrophobicContact CD2-CG2 3.84Å; L29-V164 WeakPolarHBondContact O-CG1 3.23Å |
| 30 | T | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -53 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | K26 S27 Q32 F33 F34 Y50 V65 D67 | K26-T30 PolarHBondContact O-N 3.38Å; K26-T30 PolarHBondContact O-OG1 3.43Å; K26-T30 VanDerWaalsContact O-OG1 3.09Å; S27-T30 PolarHBondContact O-N 2.93Å; T30-Q32 VanDerWaalsContact C-N 3.32Å; T30-Q32 PolarHBondContact O-N 3.1Å; T30-F33 WeakPolarHBondContact O-CB 3.44Å; T30-F33 PolarHBondContact O-N 2.99Å; T30-F34 HydrophobicContact CG2-CD2 3.91Å; T30-F34 HydrophobicContact CG2-CE2 3.98Å; T30-F34 VanDerWaalsContact O-CD2 3.27Å; T30-F34 WeakPolarHBondContact O-CD2 3.27Å; T30-F34 PolarHBondContact O-N 3.45Å; T30-Y50 HydrophobicContact CG2-CD2 3.43Å; T30-Y50 VanDerWaalsContact CG2-CD2 3.43Å; T30-Y50 HydrophobicContact CG2-CE2 3.57Å; T30-Y50 HydrophobicContact CG2-CG 4.18Å; T30-V65 HydrophobicContact CG2-CG1 4.04Å; T30-D67 HydrophobicContact CG2-CB 4.37Å |
| 31 | I | 94.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 178.2 | -65.9 | 162.3 | 0 | 0 | 0 | 110.7 | S27 F33 F34 Q35 I37 V39 Y42 | S27-I31 WeakPolarHBondContact O-CB 3.31Å; S27-I31 WeakPolarHBondContact O-CD1 3.33Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.32Å; S27-I31 PolarHBondContact O-N 3.36Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.41Å; I31-F34 PolarHBondContact O-N 3.19Å; I31-Q35 HydrophobicContact CG2-CB 4.27Å; I31-Q35 HydrophobicContact CG2-CG 4.44Å; I31-Q35 WeakPolarHBondContact O-CA 3.37Å; I31-Q35 WeakPolarHBondContact O-CB 3.29Å; I31-Q35 PolarHBondContact O-N 3.12Å; I31-I37 HydrophobicContact CG2-CD1 4.46Å; I31-I37 HydrophobicContact CG2-CG1 3.93Å; I31-V39 HydrophobicContact CG2-CG2 4.01Å; I31-Y42 HydrophobicContact CD1-CD2 3.44Å; I31-Y42 VanDerWaalsContact CD1-CD2 3.44Å; I31-Y42 HydrophobicContact CD1-CE2 3.28Å; I31-Y42 HydrophobicContact CD1-CG 4.18Å |
| 32 | Q | 95.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.8 | -176.1 | 62 | -76.3 | 0 | 0 | 111.7 | A28 L29 T30 K36 I37 A157 D159 P161 V164 | A28-Q32 WeakPolarHBondContact O-CB 3.09Å; A28-Q32 PolarHBondContact O-N 3.2Å; L29-Q32 PolarHBondContact O-N 3.33Å; T30-Q32 VanDerWaalsContact C-N 3.32Å; T30-Q32 PolarHBondContact O-N 3.1Å; Q32-K36 WeakPolarHBondContact O-CA 3.3Å; Q32-K36 WeakPolarHBondContact O-CD 3.34Å; Q32-K36 PolarHBondContact O-N 2.95Å; Q32-K36 VanDerWaalsContact O-N 3.17Å; Q32-I37 WeakPolarHBondContact CA-O 3.32Å; Q32-A157 PolarHBondContact NE2-O 2.96Å; Q32-D159 PolarHBondContact NE2-OD1 3.35Å; Q32-P161 HydrophobicContact CG-CB 3.77Å; Q32-P161 HydrophobicContact CG-CG 4.28Å; Q32-V164 HydrophobicContact CB-CG1 4.24Å; Q32-V164 HydrophobicContact CG-CB 4.38Å; Q32-V164 HydrophobicContact CG-CG1 4.16Å; Q32-V164 HydrophobicContact CG-CG2 3.96Å |
| 33 | F | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.3 | 179.3 | -115.6 | 0 | 0 | 0 | 113.2 | L29 T30 I31 K52 L63 V164 D165 F168 H169 | L29-F33 WeakPolarHBondContact O-CB 3.41Å; L29-F33 PolarHBondContact O-N 3.21Å; T30-F33 WeakPolarHBondContact O-CB 3.44Å; T30-F33 PolarHBondContact O-N 2.99Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.41Å; F33-K52 HydrophobicContact CD1-CD 4.43Å; F33-K52 HydrophobicContact CE1-CD 3.84Å; F33-K52 HydrophobicContact CZ-CD 4.11Å; F33-K52 PolarHBondContact O-NZ 2.85Å; F33-L63 HydrophobicContact CE1-CD1 3.83Å; F33-L63 HydrophobicContact CZ-CD1 3.73Å; F33-V164 HydrophobicContact CB-CG1 3.83Å; F33-D165 HydrophobicContact CD2-CB 4.44Å; F33-D165 VanDerWaalsContact CD2-OD1 3.28Å; F33-D165 WeakPolarHBondContact CD2-OD1 3.18Å; F33-D165 HydrophobicContact CE2-CB 4.38Å; F33-F168 HydrophobicContact CB-CD2 3.76Å; F33-F168 HydrophobicContact CB-CE2 3.61Å; F33-F168 HydrophobicContact CB-CZ 4.29Å; F33-F168 HydrophobicContact CD1-CB 4.38Å; F33-F168 HydrophobicContact CD1-CD1 4.15Å; F33-F168 AromaticContact CD1-CD2 3.95Å; F33-F168 HydrophobicContact CD1-CD2 3.95Å; F33-F168 HydrophobicContact CD1-CE1 4.45Å; F33-F168 HydrophobicContact CD1-CE2 4.27Å; F33-F168 AromaticContact CD1-CG 3.9Å; F33-F168 HydrophobicContact CD1-CG 3.9Å; F33-F168 HydrophobicContact CD2-CB 4.09Å; F33-F168 AromaticContact CD2-CD2 3.69Å; F33-F168 HydrophobicContact CD2-CD2 3.69Å; F33-F168 HydrophobicContact CD2-CE2 4.42Å; F33-F168 HydrophobicContact CD2-CG 4.05Å; F33-F168 HydrophobicContact CE1-CB 4.09Å; F33-F168 HydrophobicContact CE1-CD1 4.31Å; F33-F168 HydrophobicContact CE1-CG 4.06Å; F33-F168 HydrophobicContact CE2-CB 3.79Å; F33-F168 HydrophobicContact CE2-CD2 4.28Å; F33-F168 HydrophobicContact CE2-CG 4.21Å; F33-F168 HydrophobicContact CG-CB 4.39Å; F33-F168 AromaticContact CG-CD2 3.51Å; F33-F168 HydrophobicContact CG-CD2 3.51Å; F33-F168 AromaticContact CG-CE2 3.86Å; F33-F168 HydrophobicContact CG-CE2 3.86Å; F33-F168 AromaticContact CG-CG 3.9Å; F33-F168 HydrophobicContact CG-CG 3.9Å; F33-F168 HydrophobicContact CZ-CB 3.79Å; F33-F168 HydrophobicContact CZ-CG 4.22Å; F33-H169 AromaticContact CE2-NE2 3.81Å |
| 34 | F | 94.4 | Very high | 87.7 | Confident | 39 Ų | 39 | 51 Ų | 51 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -86.5 | -46.7 | -175.2 | -80.8 | -94.9 | 0 | 0 | 0 | 113.5 | T30 I31 Y50 K52 V65 | T30-F34 HydrophobicContact CG2-CD2 3.91Å; T30-F34 HydrophobicContact CG2-CE2 3.98Å; T30-F34 VanDerWaalsContact O-CD2 3.27Å; T30-F34 WeakPolarHBondContact O-CD2 3.27Å; T30-F34 PolarHBondContact O-N 3.45Å; I31-F34 PolarHBondContact O-N 3.19Å; F34-Y50 HydrophobicContact CD2-CG 4.26Å; F34-Y50 HydrophobicContact CE1-CG 4.48Å; F34-Y50 HydrophobicContact CE2-CG 4.28Å; F34-Y50 HydrophobicContact CG-CD1 4.48Å; F34-Y50 HydrophobicContact CG-CG 4.4Å; F34-Y50 HydrophobicContact CZ-CG 4.41Å; F34-Y50 WeakPolarHBondContact CZ-O 3.5Å; F34-K52 HydrophobicContact CD1-CB 3.73Å; F34-K52 HydrophobicContact CD1-CD 4.09Å; F34-K52 HydrophobicContact CD1-CG 4.48Å; F34-K52 HydrophobicContact CE1-CB 3.23Å; F34-K52 HydrophobicContact CE1-CD 4.2Å; F34-K52 HydrophobicContact CE1-CG 4.34Å; F34-K52 HydrophobicContact CZ-CB 4.02Å; F34-V65 HydrophobicContact CE2-CB 3.66Å; F34-V65 HydrophobicContact CE2-CG1 4.13Å; F34-V65 HydrophobicContact CE2-CG2 3.64Å; F34-V65 HydrophobicContact CZ-CB 3.71Å; F34-V65 HydrophobicContact CZ-CG2 3.54Å |
| 35 | Q | 92.8 | Very high | 86.1 | Confident | 107 Ų | 107 | 51.7 Ų | 51.7 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -105.2 | -10.7 | -169.2 | -59 | -177.2 | 17.6 | 0 | 0 | 113.6 | I31 I37 | I31-Q35 HydrophobicContact CG2-CB 4.27Å; I31-Q35 HydrophobicContact CG2-CG 4.44Å; I31-Q35 WeakPolarHBondContact O-CA 3.37Å; I31-Q35 WeakPolarHBondContact O-CB 3.29Å; I31-Q35 PolarHBondContact O-N 3.12Å; Q35-I37 HydrophobicContact CB-CD1 4.31Å; Q35-I37 HydrophobicContact CB-CG1 3.88Å; Q35-I37 PolarHBondContact O-N 3.18Å |
| 36 | K | 94.4 | Very high | 84.7 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 59.9 | 32.9 | -179.7 | -51.5 | -57.2 | -174.6 | -179.6 | 0 | 113.5 | Q32 D165 | Q32-K36 WeakPolarHBondContact O-CA 3.3Å; Q32-K36 WeakPolarHBondContact O-CD 3.34Å; Q32-K36 PolarHBondContact O-N 2.95Å; Q32-K36 VanDerWaalsContact O-N 3.17Å; K36-D165 IonicContact NZ-OD1 3.53Å; K36-D165 PolarHBondContact NZ-OD1 3.39Å; K36-D165 IonicContact NZ-OD2 3.98Å; K36-D165 PolarHBondContact NZ-OD2 3.09Å |
| 37 | I | 92.9 | Very high | 83.5 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | trans | -131 | 151.8 | 175.4 | 64 | 174.5 | 0 | 0 | 0 | 110.4 | I31 Q32 Q35 V39 | I31-I37 HydrophobicContact CG2-CD1 4.46Å; I31-I37 HydrophobicContact CG2-CG1 3.93Å; Q32-I37 WeakPolarHBondContact CA-O 3.32Å; Q35-I37 HydrophobicContact CB-CD1 4.31Å; Q35-I37 HydrophobicContact CB-CG1 3.88Å; Q35-I37 PolarHBondContact O-N 3.18Å; I37-V39 HydrophobicContact CD1-CG2 4.04Å; I37-V39 HydrophobicContact CG1-CG2 4.27Å | ||
| 38 | F | 90.6 | Very high | 82.9 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | trans | -98.2 | 124.1 | 167.9 | 178.4 | -114.5 | 0 | 0 | 0 | 111.3 | A28 P40 A157 K158 D159 | A28-F38 HydrophobicContact CB-CE2 4.24Å; F38-P40 HydrophobicContact CD1-CB 4.48Å; F38-P40 HydrophobicContact CE1-CB 3.74Å; F38-P40 HydrophobicContact CE1-CG 4.43Å; F38-P40 HydrophobicContact CZ-CB 4.17Å; F38-A157 HydrophobicContact CD2-CB 4.19Å; F38-A157 VanDerWaalsContact CD2-O 3.29Å; F38-A157 WeakPolarHBondContact CD2-O 3.37Å; F38-A157 HydrophobicContact CE2-CB 4.33Å; F38-K158 HydrophobicContact CD1-CG 4.35Å; F38-K158 HydrophobicContact CE1-CG 4.24Å; F38-K158 HydrophobicContact CE2-CB 4.44Å; F38-K158 HydrophobicContact CZ-CB 4.42Å; F38-D159 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 39 | V | 84.8 | Confident | 82.5 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | trans | -108.7 | 106 | 174 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | I31 I37 Y42 | I31-V39 HydrophobicContact CG2-CG2 4.01Å; I37-V39 HydrophobicContact CD1-CG2 4.04Å; I37-V39 HydrophobicContact CG1-CG2 4.27Å; V39-Y42 HydrophobicContact CG1-CD2 4.2Å | ||
| 40 | P | 74 | Confident | 82.3 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70 | -43.1 | -174.5 | 22.9 | -30.1 | 0 | 0 | 0 | 113 | F38 | F38-P40 HydrophobicContact CD1-CB 4.48Å; F38-P40 HydrophobicContact CE1-CB 3.74Å; F38-P40 HydrophobicContact CE1-CG 4.43Å; F38-P40 HydrophobicContact CZ-CB 4.17Å |
| 41 | D | 70.1 | Confident | 82.3 | Confident | 152 Ų | 152 | 73.5 Ų | 73.5 | 81% | 0.813 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -107 | 87.7 | -179.5 | -59.9 | -47.5 | 0 | 0 | 0 | 108.5 | ||
| 42 | Y | 67.7 | Low | 82.2 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 34% | 0.337 | 39% | 0.391 | S | S | . | . | trans | -93.7 | 128.6 | 170 | -158 | -102.8 | 0 | 0 | 0 | 108.9 | I31 V39 T45 D48 | I31-Y42 HydrophobicContact CD1-CD2 3.44Å; I31-Y42 VanDerWaalsContact CD1-CD2 3.44Å; I31-Y42 HydrophobicContact CD1-CE2 3.28Å; I31-Y42 HydrophobicContact CD1-CG 4.18Å; V39-Y42 HydrophobicContact CG1-CD2 4.2Å; Y42-T45 HydrophobicContact CE1-CG2 4.14Å; Y42-T45 VanDerWaalsContact CE1-OG1 3.24Å; Y42-T45 WeakPolarHBondContact CE1-OG1 3.47Å; Y42-D48 PolarHBondContact OH-OD2 3.38Å | ||
| 43 | D | 67.1 | Low | 82.1 | Confident | 137 Ų | 137 | 79.9 Ų | 79.9 | 73% | 0.733 | 41% | 0.413 | S | S | * | . | trans | -57.5 | 128.8 | 171.5 | -163.2 | -10.5 | 0 | 0 | 0 | 108.2 | T45 | D43-T45 PolarHBondContact O-N 2.79Š| ||
| 44 | P | 63.8 | Low | 82 | Confident | 97 Ų | 97 | 81 Ų | 81 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | trans | -41.4 | 111.3 | 177.2 | -33.8 | 36 | 0 | 0 | 0 | 112.5 | ||||
| 45 | T | 61 | Low | 82 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 9% | 0.092 | 43% | 0.432 | C | S | . | . | trans | -59.7 | 139.2 | -172.6 | -37.9 | 0 | 0 | 0 | 0 | 110.7 | S27 Y42 D43 D48 D67 A69 | S27-T45 PolarHBondContact OG-OG1 3.44Å; Y42-T45 HydrophobicContact CE1-CG2 4.14Å; Y42-T45 VanDerWaalsContact CE1-OG1 3.24Å; Y42-T45 WeakPolarHBondContact CE1-OG1 3.47Å; D43-T45 PolarHBondContact O-N 2.79Å; T45-D48 HydrophobicContact CG2-CB 4.24Å; T45-D48 WeakPolarHBondContact CG2-OD2 3.45Å; T45-D67 PolarHBondContact OG1-OD2 3.2Å; T45-A69 WeakPolarHBondContact O-CB 3.49Å | ||
| 46 | I | 64.6 | Low | 82.1 | Confident | 164 Ų | 164 | 78.5 Ų | 78.5 | 84% | 0.841 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -75.1 | -56.6 | 167.8 | -61.9 | -180 | 0 | 0 | 0 | 108.9 | A69 | I46-A69 WeakPolarHBondContact O-CB 3.37Š|
| 47 | E | 69.5 | Low | 82.1 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | 128.1 | 166.1 | -177.8 | 172.1 | 98.9 | 0 | 0 | 106.9 | L66 Y81 | E47-L66 HydrophobicContact CG-CD1 3.57Å; E47-L66 HydrophobicContact CG-CD2 4.46Å; E47-L66 HydrophobicContact CG-CG 4.12Å; E47-Y81 WeakPolarHBondContact OE2-CE1 3.45Å |
| 48 | D | 80.9 | Confident | 82.1 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 32% | 0.321 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.1 | 179.9 | -75.6 | -42.7 | 0 | 0 | 0 | 111.3 | Y42 T45 Y50 D67 | Y42-D48 PolarHBondContact OH-OD2 3.38Å; T45-D48 HydrophobicContact CG2-CB 4.24Å; T45-D48 WeakPolarHBondContact CG2-OD2 3.45Å; D48-Y50 HydrophobicContact CB-CD2 4.37Å; D48-Y50 HydrophobicContact CB-CE2 3.52Å; D48-D67 PolarHBondContact N-O 3.45Å; D48-D67 PolarHBondContact O-N 3.27Å |
| 49 | S | 86.1 | Confident | 82.2 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.1 | 172.4 | 166.7 | 0 | 0 | 0 | 0 | 110.4 | D64 V65 | S49-D64 PolarHBondContact OG-OD1 3.31Å; S49-V65 CarbonylContact C-O 3.58Å; S49-V65 WeakPolarHBondContact CA-O 3.46Å |
| 50 | Y | 92.5 | Very high | 82.7 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 15% | 0.149 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.9 | -178.8 | -57.8 | -93.4 | 0 | 0 | 0 | 110.5 | T30 F34 D48 V65 D67 | T30-Y50 HydrophobicContact CG2-CD2 3.43Å; T30-Y50 VanDerWaalsContact CG2-CD2 3.43Å; T30-Y50 HydrophobicContact CG2-CE2 3.57Å; T30-Y50 HydrophobicContact CG2-CG 4.18Å; F34-Y50 HydrophobicContact CD2-CG 4.26Å; F34-Y50 HydrophobicContact CE1-CG 4.48Å; F34-Y50 HydrophobicContact CE2-CG 4.28Å; F34-Y50 HydrophobicContact CG-CD1 4.48Å; F34-Y50 HydrophobicContact CG-CG 4.4Å; F34-Y50 HydrophobicContact CZ-CG 4.41Å; F34-Y50 WeakPolarHBondContact CZ-O 3.5Å; D48-Y50 HydrophobicContact CB-CD2 4.37Å; D48-Y50 HydrophobicContact CB-CE2 3.52Å; Y50-V65 PolarHBondContact N-O 2.94Å; Y50-V65 PolarHBondContact O-N 3.04Å; Y50-D67 HydrophobicContact CE2-CB 4.22Å |
| 51 | L | 94.8 | Very high | 83.7 | Confident | 117 Ų | 117 | 75.5 Ų | 75.5 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.7 | 176.8 | -73.4 | 168.8 | 0 | 0 | 0 | 111.2 | I62 L63 D64 | L51-I62 HydrophobicContact CD2-CG2 3.93Å; L51-L63 WeakPolarHBondContact CA-O 3.48Å; L51-D64 HydrophobicContact CD2-CB 3.6Å |
| 52 | K | 91.6 | Very high | 85 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 17% | 0.17 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 126.6 | 177.8 | 175.7 | 177.2 | -176.8 | -174.1 | 0 | 111.4 | F33 F34 L63 | F33-K52 HydrophobicContact CD1-CD 4.43Å; F33-K52 HydrophobicContact CE1-CD 3.84Å; F33-K52 HydrophobicContact CZ-CD 4.11Å; F33-K52 PolarHBondContact O-NZ 2.85Å; F34-K52 HydrophobicContact CD1-CB 3.73Å; F34-K52 HydrophobicContact CD1-CD 4.09Å; F34-K52 HydrophobicContact CD1-CG 4.48Å; F34-K52 HydrophobicContact CE1-CB 3.23Å; F34-K52 HydrophobicContact CE1-CD 4.2Å; F34-K52 HydrophobicContact CE1-CG 4.34Å; F34-K52 HydrophobicContact CZ-CB 4.02Å; K52-L63 PolarHBondContact N-O 2.96Å; K52-L63 PolarHBondContact O-N 3.37Å |
| 53 | H | 94.1 | Very high | 86.4 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123 | 167.3 | -62.7 | 175.3 | 0 | 0 | 0 | 108.2 | W60 | H53-W60 HydrophobicContact CB-CZ3 4.45Å |
| 54 | T | 93.8 | Very high | 87.7 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.6 | -178.9 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | I56 A61 L63 | T54-I56 HydrophobicContact CG2-CD1 3.96Å; T54-I56 HydrophobicContact CG2-CG1 3.94Å; T54-A61 PolarHBondContact N-O 3.25Å; T54-A61 PolarHBondContact O-N 3.29Å; T54-L63 HydrophobicContact CG2-CD1 3.7Å; T54-L63 HydrophobicContact CG2-CG 3.84Å |
| 55 | E | 94.7 | Very high | 89.3 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.9 | 171.5 | -172.2 | 173.7 | -157.2 | 0 | 0 | 109.2 | G58 W60 | E55-G58 VanDerWaalsContact OE1-CA 3.27Å; E55-G58 WeakPolarHBondContact OE1-CA 3.48Å; E55-W60 HydrophobicContact CB-CD2 4.17Å; E55-W60 HydrophobicContact CB-CZ2 4.21Å |
| 56 | I | 95.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.3 | 176.8 | -56.1 | 172.3 | 0 | 0 | 0 | 107 | T54 G58 Q59 L63 H169 V172 R176 | T54-I56 HydrophobicContact CG2-CD1 3.96Å; T54-I56 HydrophobicContact CG2-CG1 3.94Å; I56-G58 VanDerWaalsContact C-N 3.29Å; I56-G58 PolarHBondContact O-N 3.08Å; I56-Q59 PolarHBondContact N-O 3.17Å; I56-Q59 PolarHBondContact O-N 2.79Å; I56-Q59 VanDerWaalsContact O-N 3.08Å; I56-L63 HydrophobicContact CD1-CD1 4.22Å; I56-L63 HydrophobicContact CD1-CD2 4.2Å; I56-H169 HydrophobicContact CG2-CB 4.06Å; I56-V172 HydrophobicContact CD1-CB 3.82Å; I56-V172 HydrophobicContact CD1-CG1 3.8Å; I56-V172 HydrophobicContact CD1-CG2 3.71Å; I56-R176 PolarHBondContact O-NH1 3.04Å |
| 57 | D | 94.4 | Very high | 92 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 44 | -178.5 | -48 | -36.6 | 0 | 0 | 0 | 113 | Q59 R173 | D57-Q59 VanDerWaalsContact C-N 3.29Å; D57-Q59 PolarHBondContact O-N 3.3Å; D57-R173 IonicContact OD1-CZ 3.91Å; D57-R173 IonicContact OD1-NE 3.64Å; D57-R173 PolarHBondContact OD1-NE 2.98Å; D57-R173 IonicContact OD1-NH2 2.71Å; D57-R173 PolarHBondContact OD1-NH2 3.01Å; D57-R173 WeakPolarHBondContact OD2-CD 3.4Å; D57-R173 WeakPolarHBondContact OD2-CG 3.46Å; D57-R173 IonicContact OD2-CZ 2.67Å; D57-R173 IonicContact OD2-NE 3.83Å; D57-R173 PolarHBondContact OD2-NE 3.08Å; D57-R173 IonicContact OD2-NH2 3.4Å |
| 58 | G | 93.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 6.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E55 I56 | E55-G58 VanDerWaalsContact OE1-CA 3.27Å; E55-G58 WeakPolarHBondContact OE1-CA 3.48Å; I56-G58 VanDerWaalsContact C-N 3.29Å; I56-G58 PolarHBondContact O-N 3.08Å |
| 59 | Q | 93.4 | Very high | 92.4 | Very high | 114 Ų | 114 | 44.7 Ų | 44.7 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.6 | -178.9 | -64.9 | 177.9 | 26.5 | 0 | 0 | 110.8 | I56 D57 R176 | I56-Q59 PolarHBondContact N-O 3.17Å; I56-Q59 PolarHBondContact O-N 2.79Å; I56-Q59 VanDerWaalsContact O-N 3.08Å; D57-Q59 VanDerWaalsContact C-N 3.29Å; D57-Q59 PolarHBondContact O-N 3.3Å; Q59-R176 PolarHBondContact O-NH2 2.96Å; Q59-R176 VanDerWaalsContact O-NH2 3.08Å |
| 60 | W | 94.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 138.5 | 174.1 | -75.7 | 89.3 | 0 | 0 | 0 | 112 | V6 L11 H53 E55 | V6-W60 HydrophobicContact CG2-CE3 4.46Å; V6-W60 HydrophobicContact CG2-CH2 4.28Å; V6-W60 HydrophobicContact CG2-CZ3 4.03Å; L11-W60 HydrophobicContact CD1-CB 4.44Å; L11-W60 HydrophobicContact CD2-CB 3.54Å; H53-W60 HydrophobicContact CB-CZ3 4.45Å; E55-W60 HydrophobicContact CB-CD2 4.17Å; E55-W60 HydrophobicContact CB-CZ2 4.21Å |
| 61 | A | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 161.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P12 Y14 T54 | P12-A61 HydrophobicContact CG-CB 4.19Å; P12-A61 WeakPolarHBondContact O-CA 3.35Å; Y14-A61 HydrophobicContact CD2-CB 3.71Å; Y14-A61 HydrophobicContact CE2-CB 3.48Å; Y14-A61 VanDerWaalsContact CE2-CB 3.48Å; T54-A61 PolarHBondContact N-O 3.25Å; T54-A61 PolarHBondContact O-N 3.29Å |
| 62 | I | 96.3 | Very high | 88.1 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 18% | 0.179 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.8 | 169.3 | -53.2 | -179 | 0 | 0 | 0 | 107.1 | L11 P12 T13 Y14 L51 | L11-I62 HydrophobicContact CB-CD1 4.26Å; L11-I62 HydrophobicContact CB-CG1 4.04Å; L11-I62 HydrophobicContact CD1-CG1 4.3Å; P12-I62 PolarHBondContact O-N 2.72Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.27Å; T13-I62 WeakPolarHBondContact CA-O 3.34Å; T13-I62 HydrophobicContact CG2-CB 4.27Å; T13-I62 HydrophobicContact CG2-CG2 4.21Å; Y14-I62 PolarHBondContact N-O 3.18Å; L51-I62 HydrophobicContact CD2-CG2 3.93Å |
| 63 | L | 97.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.8 | 170.2 | -52 | -172.1 | 0 | 0 | 0 | 108.6 | Y14 L16 F33 L51 K52 T54 I56 V65 V172 | Y14-L63 HydrophobicContact CD2-CD2 3.91Å; L16-L63 HydrophobicContact CD1-CD1 4.3Å; L16-L63 HydrophobicContact CD1-CD2 4.38Å; F33-L63 HydrophobicContact CE1-CD1 3.83Å; F33-L63 HydrophobicContact CZ-CD1 3.73Å; L51-L63 WeakPolarHBondContact CA-O 3.48Å; K52-L63 PolarHBondContact N-O 2.96Å; K52-L63 PolarHBondContact O-N 3.37Å; T54-L63 HydrophobicContact CG2-CD1 3.7Å; T54-L63 HydrophobicContact CG2-CG 3.84Å; I56-L63 HydrophobicContact CD1-CD1 4.22Å; I56-L63 HydrophobicContact CD1-CD2 4.2Å; L63-V65 HydrophobicContact CB-CG2 4.14Å; L63-V172 HydrophobicContact CD2-CG2 3.59Å |
| 64 | D | 96.1 | Very high | 84.2 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 97.3 | 171.6 | 178.6 | 4.7 | 0 | 0 | 0 | 106.9 | T13 Y14 K15 L16 S49 L51 | T13-D64 HydrophobicContact CG2-CB 4.04Å; Y14-D64 PolarHBondContact O-N 2.94Å; K15-D64 CarbonylContact C-O 3.57Å; K15-D64 VanDerWaalsContact CA-O 3.3Å; K15-D64 WeakPolarHBondContact CA-O 3.27Å; K15-D64 HydrophobicContact CG-CB 4.18Å; L16-D64 PolarHBondContact N-O 3Å; S49-D64 PolarHBondContact OG-OD1 3.31Å; L51-D64 HydrophobicContact CD2-CB 3.6Å |
| 65 | V | 95.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122 | -171.9 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | L16 V18 T30 F34 S49 Y50 L63 F168 | L16-V65 HydrophobicContact CB-CG2 4.19Å; L16-V65 HydrophobicContact CD1-CG2 4.2Å; L16-V65 HydrophobicContact CG-CG2 4.43Å; L16-V65 CarbonylContact O-C 3.57Å; L16-V65 WeakPolarHBondContact O-CA 3.31Å; V18-V65 HydrophobicContact CG2-CG1 3.95Å; T30-V65 HydrophobicContact CG2-CG1 4.04Å; F34-V65 HydrophobicContact CE2-CB 3.66Å; F34-V65 HydrophobicContact CE2-CG1 4.13Å; F34-V65 HydrophobicContact CE2-CG2 3.64Å; F34-V65 HydrophobicContact CZ-CB 3.71Å; F34-V65 HydrophobicContact CZ-CG2 3.54Å; S49-V65 CarbonylContact C-O 3.58Å; S49-V65 WeakPolarHBondContact CA-O 3.46Å; Y50-V65 PolarHBondContact N-O 2.94Å; Y50-V65 PolarHBondContact O-N 3.04Å; L63-V65 HydrophobicContact CB-CG2 4.14Å; V65-F168 HydrophobicContact CG1-CE1 3.73Å; V65-F168 HydrophobicContact CG2-CD1 4.35Å; V65-F168 HydrophobicContact CG2-CE1 4.3Å |
| 66 | L | 93.1 | Very high | 81 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.1 | 173.6 | -169.3 | 70.6 | 0 | 0 | 0 | 110.6 | L16 V17 V18 E47 T68 Y81 | L16-L66 PolarHBondContact O-N 3.17Å; V17-L66 HydrophobicContact CG1-CD2 4.39Å; V18-L66 PolarHBondContact N-O 3.12Å; E47-L66 HydrophobicContact CG-CD1 3.57Å; E47-L66 HydrophobicContact CG-CD2 4.46Å; E47-L66 HydrophobicContact CG-CG 4.12Å; L66-T68 HydrophobicContact CD2-CG2 4.32Å; L66-T68 HydrophobicContact CG-CG2 4.46Å; L66-Y81 HydrophobicContact CD2-CD1 3.55Å; L66-Y81 HydrophobicContact CD2-CD2 4.28Å; L66-Y81 HydrophobicContact CD2-CE1 4.42Å; L66-Y81 HydrophobicContact CD2-CG 3.47Å; L66-Y81 VanDerWaalsContact CD2-CG 3.47Å |
| 67 | D | 89.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.5 | 166.8 | -176.2 | 43.5 | 0 | 0 | 0 | 109.7 | K26 S27 T30 T45 D48 Y50 | K26-D67 VanDerWaalsContact CB-OD1 3.27Å; K26-D67 WeakPolarHBondContact CB-OD1 3.38Å; S27-D67 VanDerWaalsContact CA-OD2 3.3Å; S27-D67 WeakPolarHBondContact CA-OD2 3.46Å; S27-D67 WeakPolarHBondContact CB-OD2 3.42Å; S27-D67 PolarHBondContact N-OD1 3.2Å; S27-D67 PolarHBondContact OG-OD2 2.89Å; T30-D67 HydrophobicContact CG2-CB 4.37Å; T45-D67 PolarHBondContact OG1-OD2 3.2Å; D48-D67 PolarHBondContact N-O 3.45Å; D48-D67 PolarHBondContact O-N 3.27Å; Y50-D67 HydrophobicContact CE2-CB 4.22Å |
| 68 | T | 84.3 | Confident | 78.3 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 143.1 | -178.7 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | V17 V18 V19 K26 L66 G70 Y81 | V17-T68 HydrophobicContact CG1-CG2 3.84Å; V18-T68 WeakPolarHBondContact O-CG2 3.5Å; V18-T68 PolarHBondContact O-OG1 2.76Å; V19-T68 HydrophobicContact CG1-CG2 4.41Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; L66-T68 HydrophobicContact CD2-CG2 4.32Å; L66-T68 HydrophobicContact CG-CG2 4.46Å; T68-G70 PolarHBondContact O-N 3.01Å; T68-Y81 HydrophobicContact CG2-CD2 4.44Å; T68-Y81 HydrophobicContact CG2-CE1 4.18Å; T68-Y81 HydrophobicContact CG2-CE2 3.99Å |
| 69 | A | 74.5 | Confident | 77.4 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 24% | 0.24 | 31% | 0.312 | C | S | . | . | trans | -54.4 | 133.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T45 I46 Q71 | T45-A69 WeakPolarHBondContact O-CB 3.49Å; I46-A69 WeakPolarHBondContact O-CB 3.37Å; A69-Q71 PolarHBondContact O-N 3.45Å | ||
| 70 | G | 62 | Low | 76.8 | Confident | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -75.4 | 8.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G22 T68 | G22-G70 PolarHBondContact N-O 3.26Å; G22-G70 VanDerWaalsContact N-O 3.16Å; T68-G70 PolarHBondContact O-N 3.01Å |
| 71 | Q | 59.2 | Low | 76.2 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | trans | -101.4 | 106.4 | 176 | -71.2 | 179.9 | -6.7 | 0 | 0 | 108.4 | A69 E73 | A69-Q71 PolarHBondContact O-N 3.45Å; Q71-E73 PolarHBondContact O-N 3.29Å | ||
| 72 | E | 62 | Low | 75.8 | Confident | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | trans | -80.1 | 46.9 | -172 | -61.7 | -161.1 | 152.6 | 0 | 0 | 114.6 | R78 R105 F106 | E72-R78 VanDerWaalsContact CD-NH1 3.29Å; E72-R78 IonicContact OE1-CZ 2.65Å; E72-R78 IonicContact OE1-NH1 2.94Å; E72-R78 IonicContact OE1-NH2 3.21Å; E72-R78 PolarHBondContact OE1-NH2 3.06Å; E72-R78 IonicContact OE2-CZ 3.45Å; E72-R78 IonicContact OE2-NH1 2.81Å; E72-R78 PolarHBondContact OE2-NH1 3.49Å; E72-R78 IonicContact OE2-NH2 3.98Å; E72-R78 PolarHBondContact OE2-NH2 3.25Å; E72-R105 IonicContact OE1-NH1 3.78Å; E72-R105 IonicContact OE2-CZ 3.45Å; E72-R105 IonicContact OE2-NE 3Å; E72-R105 IonicContact OE2-NH1 2.67Å; E72-R105 PolarHBondContact OE2-NH1 3.29Å; E72-R105 IonicContact OE2-NH2 2.7Å; E72-R105 PolarHBondContact OE2-NH2 3.28Å; E72-F106 WeakPolarHBondContact OE1-CE1 3.44Å; E72-F106 VanDerWaalsContact OE1-CZ 3.25Å; E72-F106 WeakPolarHBondContact OE1-CZ 3.3Å | ||
| 73 | E | 51.5 | Low | 75.5 | Confident | 147 Ų | 147 | 65.2 Ų | 65.2 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | trans | -107.5 | -1.3 | -165.4 | -74.8 | 160.8 | -165.1 | 0 | 0 | 115.8 | Q71 | Q71-E73 PolarHBondContact O-N 3.29Š| ||
| 74 | F | 52.5 | Low | 75.1 | Confident | 174 Ų | 174 | 68.5 Ų | 68.5 | 76% | 0.763 | 35% | 0.352 | S | S | * | . | trans | -125.1 | 111.5 | 173.2 | -67.4 | -76.5 | 0 | 0 | 0 | 113.7 | ||||
| 75 | S | 59.4 | Low | 75.1 | Confident | 102 Ų | 102 | 67 Ų | 67 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -75.2 | -29 | -168.2 | 57.6 | 0 | 0 | 0 | 0 | 115.6 | E79 | S75-E79 PolarHBondContact O-N 3.49Å |
| 76 | A | 61.3 | Low | 75.1 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 63% | 0.628 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.9 | -44.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R78 E79 Q80 | A76-R78 VanDerWaalsContact C-N 3.32Å; A76-E79 PolarHBondContact O-N 3.21Å; A76-Q80 PolarHBondContact O-N 2.93Å |
| 77 | M | 60.7 | Low | 75.3 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 176.5 | -66.7 | -179.3 | 69.7 | 0 | 0 | 111 | E79 Q80 Y81 | M77-E79 VanDerWaalsContact C-N 3.26Å; M77-E79 PolarHBondContact O-N 3.01Å; M77-Q80 PolarHBondContact O-N 3.45Å; M77-Q80 VanDerWaalsContact O-N 3.11Å; M77-Y81 WeakPolarHBondContact O-CD1 3.49Å; M77-Y81 WeakPolarHBondContact O-CE1 3.47Å; M77-Y81 PolarHBondContact O-N 2.91Å |
| 78 | R | 72.4 | Confident | 75.7 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -51.6 | -44.2 | 172 | -174.5 | 175.8 | -171 | 165 | 10.1 | 112.8 | E72 A76 Y81 M82 | E72-R78 VanDerWaalsContact CD-NH1 3.29Å; E72-R78 IonicContact OE1-CZ 2.65Å; E72-R78 IonicContact OE1-NH1 2.94Å; E72-R78 IonicContact OE1-NH2 3.21Å; E72-R78 PolarHBondContact OE1-NH2 3.06Å; E72-R78 IonicContact OE2-CZ 3.45Å; E72-R78 IonicContact OE2-NH1 2.81Å; E72-R78 PolarHBondContact OE2-NH1 3.49Å; E72-R78 IonicContact OE2-NH2 3.98Å; E72-R78 PolarHBondContact OE2-NH2 3.25Å; A76-R78 VanDerWaalsContact C-N 3.32Å; R78-Y81 VanDerWaalsContact CA-CE1 3.45Å; R78-Y81 VanDerWaalsContact CA-CZ 3.46Å; R78-Y81 HydrophobicContact CB-CE1 4.44Å; R78-Y81 HydrophobicContact CG-CE2 4.41Å; R78-M82 HydrophobicContact CG-CG 4.36Å; R78-M82 WeakPolarHBondContact O-CB 3.32Å; R78-M82 WeakPolarHBondContact O-CG 3.48Å; R78-M82 PolarHBondContact O-N 3.37Å |
| 79 | E | 74.8 | Confident | 76.4 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | -178.4 | -160.5 | 178.8 | -167.3 | 0 | 0 | 112.4 | S75 A76 M77 R83 | S75-E79 PolarHBondContact O-N 3.49Å; A76-E79 PolarHBondContact O-N 3.21Å; M77-E79 VanDerWaalsContact C-N 3.26Å; M77-E79 PolarHBondContact O-N 3.01Å; E79-R83 WeakPolarHBondContact O-CB 3.41Å; E79-R83 PolarHBondContact O-N 3.04Å; E79-R83 IonicContact OE1-CZ 2.89Å; E79-R83 IonicContact OE1-NH2 2.74Å; E79-R83 PolarHBondContact OE1-NH2 3.33Å; E79-R83 IonicContact OE2-NH2 3.95Å; E79-R83 PolarHBondContact OE2-NH2 2.86Å |
| 80 | Q | 79.9 | Confident | 77.5 | Confident | 142 Ų | 142 | 66.8 Ų | 66.8 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.4 | -52.9 | -176.6 | -177.8 | 175.9 | -63.6 | 0 | 0 | 112.7 | A76 M77 R83 T84 | A76-Q80 PolarHBondContact O-N 2.93Å; M77-Q80 PolarHBondContact O-N 3.45Å; M77-Q80 VanDerWaalsContact O-N 3.11Å; Q80-R83 PolarHBondContact O-N 2.91Å; Q80-T84 WeakPolarHBondContact O-CB 3.45Å; Q80-T84 WeakPolarHBondContact O-CG2 3.27Å; Q80-T84 PolarHBondContact O-N 3.05Å; Q80-T84 PolarHBondContact O-OG1 3.17Å |
| 81 | Y | 82.7 | Confident | 79.3 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71 | -35.1 | -179.6 | 60.9 | -113.5 | 0 | 0 | 0 | 111.7 | V17 E47 L66 T68 M77 R78 R83 T84 G85 | V17-Y81 HydrophobicContact CG1-CD2 3.72Å; V17-Y81 HydrophobicContact CG1-CE2 4.19Å; V17-Y81 HydrophobicContact CG1-CG 4.42Å; E47-Y81 WeakPolarHBondContact OE2-CE1 3.45Å; L66-Y81 HydrophobicContact CD2-CD1 3.55Å; L66-Y81 HydrophobicContact CD2-CD2 4.28Å; L66-Y81 HydrophobicContact CD2-CE1 4.42Å; L66-Y81 HydrophobicContact CD2-CG 3.47Å; L66-Y81 VanDerWaalsContact CD2-CG 3.47Å; T68-Y81 HydrophobicContact CG2-CD2 4.44Å; T68-Y81 HydrophobicContact CG2-CE1 4.18Å; T68-Y81 HydrophobicContact CG2-CE2 3.99Å; M77-Y81 WeakPolarHBondContact O-CD1 3.49Å; M77-Y81 WeakPolarHBondContact O-CE1 3.47Å; M77-Y81 PolarHBondContact O-N 2.91Å; R78-Y81 VanDerWaalsContact CA-CE1 3.45Å; R78-Y81 VanDerWaalsContact CA-CZ 3.46Å; R78-Y81 HydrophobicContact CB-CE1 4.44Å; R78-Y81 HydrophobicContact CG-CE2 4.41Å; Y81-R83 VanDerWaalsContact C-N 3.26Å; Y81-R83 PolarHBondContact O-N 3.33Å; Y81-T84 PolarHBondContact O-N 3.42Å; Y81-G85 PolarHBondContact O-N 2.93Å |
| 82 | M | 86.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 173.1 | -72.7 | -71.4 | -173.6 | 0 | 0 | 111.2 | V19 R78 F88 L109 I110 V113 K114 | V19-M82 HydrophobicContact CG1-CE 3.88Å; R78-M82 HydrophobicContact CG-CG 4.36Å; R78-M82 WeakPolarHBondContact O-CB 3.32Å; R78-M82 WeakPolarHBondContact O-CG 3.48Å; R78-M82 PolarHBondContact O-N 3.37Å; M82-F88 HydrophobicContact SD-CD1 4.19Å; M82-F88 HydrophobicContact SD-CE1 3.49Å; M82-F88 WeakPolarHBondContact SD-CE1 3.43Å; M82-F88 HydrophobicContact SD-CZ 4.07Å; M82-L109 HydrophobicContact CE-CD2 3.78Å; M82-L109 HydrophobicContact CE-CG 4.41Å; M82-I110 HydrophobicContact CE-CG1 4.32Å; M82-I110 HydrophobicContact SD-CG1 3.82Å; M82-V113 HydrophobicContact CB-CB 4.08Å; M82-V113 HydrophobicContact CB-CG1 3.64Å; M82-V113 HydrophobicContact CB-CG2 4.2Å; M82-K114 WeakPolarHBondContact O-CE 3.36Å; M82-K114 PolarHBondContact O-NZ 2.88Å |
| 83 | R | 89.9 | Confident | 82.9 | Confident | 145 Ų | 145 | 56.9 Ų | 56.9 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -76 | -37 | 177.7 | -167.5 | -179.5 | -64.1 | 148.1 | -4.2 | 112.9 | E79 Q80 Y81 V113 K114 | E79-R83 WeakPolarHBondContact O-CB 3.41Å; E79-R83 PolarHBondContact O-N 3.04Å; E79-R83 IonicContact OE1-CZ 2.89Å; E79-R83 IonicContact OE1-NH2 2.74Å; E79-R83 PolarHBondContact OE1-NH2 3.33Å; E79-R83 IonicContact OE2-NH2 3.95Å; E79-R83 PolarHBondContact OE2-NH2 2.86Å; Q80-R83 PolarHBondContact O-N 2.91Å; Y81-R83 VanDerWaalsContact C-N 3.26Å; Y81-R83 PolarHBondContact O-N 3.33Å; R83-V113 HydrophobicContact CB-CG1 4.27Å; R83-K114 PolarHBondContact O-NZ 2.9Å |
| 84 | T | 89.5 | Confident | 85.1 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -96.3 | -18.1 | -171.8 | 57.8 | 0 | 0 | 0 | 0 | 115.6 | Q80 Y81 | Q80-T84 WeakPolarHBondContact O-CB 3.45Å; Q80-T84 WeakPolarHBondContact O-CG2 3.27Å; Q80-T84 PolarHBondContact O-N 3.05Å; Q80-T84 PolarHBondContact O-OG1 3.17Å; Y81-T84 PolarHBondContact O-N 3.42Å |
| 85 | G | 95 | Very high | 87.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -62.3 | 135.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K15 Y81 K114 F119 | K15-G85 CarbonylContact O-C 3.46Å; Y81-G85 PolarHBondContact O-N 2.93Å; G85-K114 WeakPolarHBondContact O-CE 3.27Å; G85-K114 PolarHBondContact O-NZ 2.96Å; G85-F119 WeakPolarHBondContact O-CZ 3.19Å | ||
| 86 | D | 97.1 | Very high | 89.2 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -81.4 | -24 | 176.1 | -64.1 | -55.3 | 0 | 0 | 0 | 112.1 | K15 F119 I175 | K15-D86 PolarHBondContact N-OD2 3.29Å; K15-D86 PolarHBondContact O-N 2.85Å; D86-F119 VanDerWaalsContact O-CE1 3.29Å; D86-F119 WeakPolarHBondContact O-CE1 3.49Å; D86-F119 WeakPolarHBondContact O-CZ 3.38Å; D86-I175 HydrophobicContact CB-CD1 4.02Å; D86-I175 HydrophobicContact CB-CG2 4.42Å |
| 87 | G | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 163.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K15 L16 V17 P120 | K15-G87 PolarHBondContact O-N 3.22Å; L16-G87 WeakPolarHBondContact CA-O 3.24Å; V17-G87 PolarHBondContact N-O 3.45Å; G87-P120 CarbonylContact C-O 3.53Å; G87-P120 VanDerWaalsContact CA-O 3.23Å; G87-P120 WeakPolarHBondContact CA-O 3.28Å |
| 88 | F | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.1 | -174.5 | -59.3 | -99.1 | 0 | 0 | 0 | 112.8 | V17 V19 M82 I110 F119 P120 M121 V122 | V17-F88 HydrophobicContact CB-CD1 3.61Å; V17-F88 HydrophobicContact CB-CE1 3.69Å; V17-F88 HydrophobicContact CB-CG 4.5Å; V17-F88 HydrophobicContact CG1-CD1 4.07Å; V17-F88 HydrophobicContact CG1-CE1 4.05Å; V17-F88 HydrophobicContact CG2-CD1 4.3Å; V17-F88 HydrophobicContact CG2-CE1 3.92Å; V17-F88 HydrophobicContact CG2-CZ 4.5Å; V17-F88 CarbonylContact O-C 3.58Å; V17-F88 VanDerWaalsContact O-CA 3.29Å; V17-F88 WeakPolarHBondContact O-CA 3.15Å; V19-F88 HydrophobicContact CG1-CD1 4.25Å; M82-F88 HydrophobicContact SD-CD1 4.19Å; M82-F88 HydrophobicContact SD-CE1 3.49Å; M82-F88 WeakPolarHBondContact SD-CE1 3.43Å; M82-F88 HydrophobicContact SD-CZ 4.07Å; F88-I110 HydrophobicContact CB-CD1 3.7Å; F88-I110 HydrophobicContact CD1-CD1 3.88Å; F88-I110 HydrophobicContact CD1-CG1 3.97Å; F88-I110 HydrophobicContact CD2-CD1 4.15Å; F88-I110 HydrophobicContact CD2-CG1 4.21Å; F88-I110 HydrophobicContact CD2-CG2 3.63Å; F88-I110 HydrophobicContact CE1-CG1 4.23Å; F88-I110 HydrophobicContact CE2-CG1 4.45Å; F88-I110 HydrophobicContact CE2-CG2 3.69Å; F88-I110 HydrophobicContact CG-CD1 3.63Å; F88-I110 HydrophobicContact CG-CG1 3.99Å; F88-I110 HydrophobicContact CG-CG2 4.25Å; F88-I110 HydrophobicContact CZ-CG1 4.47Å; F88-I110 HydrophobicContact CZ-CG2 4.34Å; F88-F119 AromaticContact CD2-CD1 3.75Å; F88-F119 HydrophobicContact CD2-CD1 3.75Å; F88-F119 AromaticContact CD2-CE1 3.83Å; F88-F119 HydrophobicContact CD2-CE1 3.83Å; F88-F119 AromaticContact CE2-CD1 3.68Å; F88-F119 HydrophobicContact CE2-CD1 3.68Å; F88-F119 AromaticContact CE2-CE1 3.48Å; F88-F119 HydrophobicContact CE2-CE1 3.48Å; F88-F119 VanDerWaalsContact CE2-CE1 3.48Å; F88-P120 PolarHBondContact N-O 2.66Å; F88-M121 HydrophobicContact CB-CG 4.22Å; F88-M121 CarbonylContact O-C 3.59Å; F88-M121 VanDerWaalsContact O-CA 3.26Å; F88-M121 WeakPolarHBondContact O-CA 3.26Å; F88-V122 PolarHBondContact O-N 2.73Å |
| 89 | L | 98.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.1 | 160 | -63.3 | -178.1 | 0 | 0 | 0 | 107.6 | V17 V18 V19 V91 V122 V124 F168 L171 | V17-L89 PolarHBondContact O-N 2.94Å; V18-L89 HydrophobicContact CG1-CB 4.38Å; V18-L89 HydrophobicContact CG2-CD1 4.31Å; V19-L89 WeakPolarHBondContact CG2-O 3.36Å; V19-L89 PolarHBondContact N-O 3.44Å; L89-V91 HydrophobicContact CB-CG2 4.29Å; L89-V122 HydrophobicContact CD2-CB 3.81Å; L89-V122 HydrophobicContact CD2-CG1 4.32Å; L89-V122 HydrophobicContact CD2-CG2 4.46Å; L89-V124 HydrophobicContact CB-CG2 4.27Å; L89-V124 HydrophobicContact CD2-CG2 3.98Å; L89-F168 HydrophobicContact CD1-CD1 3.73Å; L89-F168 HydrophobicContact CD1-CD2 4.3Å; L89-F168 HydrophobicContact CD1-CE1 3.51Å; L89-F168 HydrophobicContact CD1-CE2 4.1Å; L89-F168 HydrophobicContact CD1-CG 4.12Å; L89-F168 HydrophobicContact CD1-CZ 3.72Å; L89-L171 HydrophobicContact CD2-CB 3.97Å; L89-L171 HydrophobicContact CD2-CD2 3.82Å; L89-L171 HydrophobicContact CD2-CG 4.42Å; L89-L171 HydrophobicContact CG-CD2 3.85Å |
| 90 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 105.5 | 172.4 | -51.6 | 176.4 | 0 | 0 | 0 | 107.1 | V19 V103 F106 H107 I110 M121 V122 L123 V124 | V19-I90 HydrophobicContact CG2-CB 4.4Å; V19-I90 HydrophobicContact CG2-CG1 4.02Å; V19-I90 HydrophobicContact CG2-CG2 4.5Å; I90-V103 HydrophobicContact CG2-CB 4.46Å; I90-V103 HydrophobicContact CG2-CG1 4.1Å; I90-V103 HydrophobicContact CG2-CG2 4.26Å; I90-F106 HydrophobicContact CG2-CB 3.9Å; I90-F106 HydrophobicContact CG2-CD2 4.48Å; I90-F106 HydrophobicContact CG2-CG 4.42Å; I90-H107 HydrophobicContact CD1-CB 4.16Å; I90-I110 HydrophobicContact CD1-CD1 3.9Å; I90-I110 HydrophobicContact CG1-CD1 4Å; I90-M121 HydrophobicContact CD1-SD 4.01Å; I90-V122 PolarHBondContact N-O 2.84Å; I90-L123 HydrophobicContact CB-CD1 4.42Å; I90-L123 HydrophobicContact CG2-CD1 4.46Å; I90-V124 PolarHBondContact O-N 2.89Å |
| 91 | V | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.2 | -173.2 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | V18 V19 G20 V24 K26 L29 L89 V124 N126 | V18-V91 HydrophobicContact CG1-CG2 3.57Å; V19-V91 PolarHBondContact O-N 3.46Å; G20-V91 WeakPolarHBondContact CA-O 3.28Å; V24-V91 HydrophobicContact CB-CG1 4.36Å; V24-V91 HydrophobicContact CG2-CB 3.98Å; V24-V91 HydrophobicContact CG2-CG1 3.81Å; K26-V91 HydrophobicContact CG-CB 4.26Å; K26-V91 HydrophobicContact CG-CG2 4.4Å; L29-V91 HydrophobicContact CD1-CG1 3.81Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L89-V91 HydrophobicContact CB-CG2 4.29Å; V91-V124 WeakPolarHBondContact CA-O 3.47Å; V91-V124 HydrophobicContact CG1-CG1 4.37Å; V91-V124 HydrophobicContact CG2-CB 4.15Å; V91-V124 HydrophobicContact CG2-CG1 4.48Å; V91-N126 HydrophobicContact CG1-CB 3.94Å |
| 92 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 164.1 | 165.9 | 76.8 | -87 | 0 | 0 | 0 | 110.2 | V94 S99 F100 V103 L123 V124 A125 N126 V136 Y152 | F92-V94 HydrophobicContact CE2-CG1 4.09Å; F92-S99 WeakPolarHBondContact CB-O 3.32Å; F92-F100 HydrophobicContact CD1-CD2 4.26Å; F92-F100 HydrophobicContact CD2-CB 3.71Å; F92-F100 HydrophobicContact CD2-CD2 4.02Å; F92-F100 HydrophobicContact CD2-CG 4.33Å; F92-F100 AromaticContact CE1-CD2 3.97Å; F92-F100 HydrophobicContact CE1-CD2 3.97Å; F92-F100 HydrophobicContact CE2-CB 4.06Å; F92-F100 AromaticContact CE2-CD2 3.74Å; F92-F100 HydrophobicContact CE2-CD2 3.74Å; F92-F100 HydrophobicContact CE2-CG 4.25Å; F92-F100 HydrophobicContact CG-CB 4.22Å; F92-F100 HydrophobicContact CG-CD2 4.27Å; F92-F100 AromaticContact CZ-CD2 3.69Å; F92-F100 HydrophobicContact CZ-CD2 3.69Å; F92-F100 HydrophobicContact CZ-CE2 4.25Å; F92-V103 HydrophobicContact CB-CG2 4.06Å; F92-V103 HydrophobicContact CD1-CG2 4.05Å; F92-V103 HydrophobicContact CG-CG2 4.3Å; F92-L123 HydrophobicContact CD1-CD1 3.8Å; F92-L123 HydrophobicContact CD1-CG 4.39Å; F92-L123 HydrophobicContact CE1-CD1 3.96Å; F92-L123 HydrophobicContact CE1-CD2 4.34Å; F92-L123 HydrophobicContact CE1-CG 4.06Å; F92-V124 WeakPolarHBondContact CD1-O 3.29Å; F92-V124 PolarHBondContact N-O 2.9Å; F92-A125 HydrophobicContact CD1-CB 4.46Å; F92-A125 HydrophobicContact CE1-CB 3.59Å; F92-A125 HydrophobicContact CE2-CB 4.1Å; F92-A125 HydrophobicContact CZ-CB 3.39Å; F92-N126 PolarHBondContact O-N 3.36Å; F92-V136 HydrophobicContact CE2-CB 4.07Å; F92-V136 HydrophobicContact CE2-CG1 3.84Å; F92-V136 HydrophobicContact CE2-CG2 4.36Å; F92-V136 HydrophobicContact CZ-CG1 4.22Å; F92-Y152 HydrophobicContact CE1-CE2 4.28Å; F92-Y152 HydrophobicContact CZ-CE2 4.35Å |
| 93 | S | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.1 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | T95 D96 S99 K127 | S93-T95 PolarHBondContact O-N 3.27Å; S93-T95 PolarHBondContact OG-N 2.74Å; S93-T95 PolarHBondContact OG-OG1 3.16Å; S93-D96 CarbonylContact O-C 2.97Å; S93-D96 PolarHBondContact O-N 3.43Å; S93-D96 VanDerWaalsContact O-O 3.09Å; S93-S99 PolarHBondContact N-OG 2.87Å; S93-S99 PolarHBondContact O-OG 2.96Å; S93-K127 WeakPolarHBondContact OG-CD 3.34Å |
| 94 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | F92 A125 N126 K127 V128 R134 K135 V136 | F92-V94 HydrophobicContact CE2-CG1 4.09Å; V94-A125 HydrophobicContact CG1-CB 3.79Å; V94-N126 PolarHBondContact N-O 3.47Å; V94-K127 WeakPolarHBondContact CG2-O 3.46Å; V94-V128 HydrophobicContact CG1-CG1 3.8Å; V94-V128 HydrophobicContact CG2-CG1 4.15Å; V94-R134 HydrophobicContact CB-CG 4.17Å; V94-R134 HydrophobicContact CG2-CG 4.18Å; V94-K135 PolarHBondContact O-N 2.85Å; V94-V136 PolarHBondContact O-N 3.01Å; V94-V136 VanDerWaalsContact O-N 3.12Å |
| 95 | T | 98.5 | Very high | 97.5 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -5.3 | 175.9 | 71.4 | 0 | 0 | 0 | 0 | 113.9 | S93 L130 L133 K135 | S93-T95 PolarHBondContact O-N 3.27Å; S93-T95 PolarHBondContact OG-N 2.74Å; S93-T95 PolarHBondContact OG-OG1 3.16Å; T95-L130 HydrophobicContact CG2-CB 3.62Å; T95-L130 HydrophobicContact CG2-CD1 3.79Å; T95-L130 HydrophobicContact CG2-CG 4.34Å; T95-L133 VanDerWaalsContact CA-O 3.3Å; T95-L133 WeakPolarHBondContact CA-O 3.33Å; T95-L133 WeakPolarHBondContact CB-O 3.3Å; T95-L133 HydrophobicContact CG2-CB 3.71Å; T95-K135 VanDerWaalsContact O-CD 3.28Å; T95-K135 WeakPolarHBondContact O-CD 3.48Å; T95-K135 VanDerWaalsContact O-CE 3.32Å; T95-K135 WeakPolarHBondContact O-CE 3.36Å; T95-K135 PolarHBondContact O-NZ 2.67Å |
| 96 | D | 97.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 31.6 Ų | 31.6 | 31% | 0.31 | 15% | 0.154 | S | C | . | . | trans | -129.6 | 101.4 | -177.4 | -177.4 | 6.1 | 0 | 0 | 0 | 110.7 | S93 A98 S99 F100 | S93-D96 CarbonylContact O-C 2.97Å; S93-D96 PolarHBondContact O-N 3.43Å; S93-D96 VanDerWaalsContact O-O 3.09Å; D96-A98 VanDerWaalsContact C-N 3.3Å; D96-A98 PolarHBondContact O-N 2.95Å; D96-A98 PolarHBondContact OD1-N 2.85Å; D96-A98 VanDerWaalsContact OD1-N 3.08Å; D96-S99 PolarHBondContact O-N 3.42Å; D96-S99 PolarHBondContact O-OG 3.34Å; D96-F100 PolarHBondContact O-N 3.19Å | ||
| 97 | K | 98.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 29.9 Ų | 29.9 | 43% | 0.43 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.3 | -32.6 | -178.6 | -170.2 | 178.5 | 178 | -169 | 0 | 112.6 | S99 F100 E101 K135 V136 | K97-S99 VanDerWaalsContact C-N 3.33Å; K97-S99 PolarHBondContact O-N 2.82Å; K97-F100 WeakPolarHBondContact O-CB 3.43Å; K97-F100 PolarHBondContact O-N 2.82Å; K97-E101 VanDerWaalsContact CE-OE1 3.25Å; K97-E101 WeakPolarHBondContact CE-OE1 3.28Å; K97-E101 IonicContact NZ-OE1 2.74Å; K97-E101 WeakPolarHBondContact O-CG 3.34Å; K97-E101 PolarHBondContact O-N 3.46Å; K97-K135 HydrophobicContact CB-CB 4.36Å; K97-V136 HydrophobicContact CB-CG2 4.44Å; K97-V136 HydrophobicContact CG-CG2 4.47Å |
| 98 | A | 97.5 | Very high | 97.3 | Very high | 39 Ų | 39 | 36 Ų | 36 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | D96 F100 E101 H102 | D96-A98 VanDerWaalsContact C-N 3.3Å; D96-A98 PolarHBondContact O-N 2.95Å; D96-A98 PolarHBondContact OD1-N 2.85Å; D96-A98 VanDerWaalsContact OD1-N 3.08Å; A98-F100 PolarHBondContact O-N 3.34Å; A98-E101 PolarHBondContact O-N 3.11Å; A98-E101 VanDerWaalsContact O-N 3.09Å; A98-H102 VanDerWaalsContact O-CG 3.31Å; A98-H102 PolarHBondContact O-N 2.84Å; A98-H102 PolarHBondContact O-ND1 3.3Å |
| 99 | S | 97.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -31.3 | 176 | 77.9 | 0 | 0 | 0 | 0 | 113.5 | D21 F92 S93 D96 K97 | D21-S99 WeakPolarHBondContact OD2-CA 3.46Å; F92-S99 WeakPolarHBondContact CB-O 3.32Å; S93-S99 PolarHBondContact N-OG 2.87Å; S93-S99 PolarHBondContact O-OG 2.96Å; D96-S99 PolarHBondContact O-N 3.42Å; D96-S99 PolarHBondContact O-OG 3.34Å; K97-S99 VanDerWaalsContact C-N 3.33Å; K97-S99 PolarHBondContact O-N 2.82Å |
| 100 | F | 98.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.3 | -44 | 174.1 | 172.8 | -108 | 0 | 0 | 0 | 112 | F92 D96 K97 A98 H102 V103 V136 Q140 M144 | F92-F100 HydrophobicContact CD1-CD2 4.26Å; F92-F100 HydrophobicContact CD2-CB 3.71Å; F92-F100 HydrophobicContact CD2-CD2 4.02Å; F92-F100 HydrophobicContact CD2-CG 4.33Å; F92-F100 AromaticContact CE1-CD2 3.97Å; F92-F100 HydrophobicContact CE1-CD2 3.97Å; F92-F100 HydrophobicContact CE2-CB 4.06Å; F92-F100 AromaticContact CE2-CD2 3.74Å; F92-F100 HydrophobicContact CE2-CD2 3.74Å; F92-F100 HydrophobicContact CE2-CG 4.25Å; F92-F100 HydrophobicContact CG-CB 4.22Å; F92-F100 HydrophobicContact CG-CD2 4.27Å; F92-F100 AromaticContact CZ-CD2 3.69Å; F92-F100 HydrophobicContact CZ-CD2 3.69Å; F92-F100 HydrophobicContact CZ-CE2 4.25Å; D96-F100 PolarHBondContact O-N 3.19Å; K97-F100 WeakPolarHBondContact O-CB 3.43Å; K97-F100 PolarHBondContact O-N 2.82Å; A98-F100 PolarHBondContact O-N 3.34Å; F100-H102 PolarHBondContact O-N 3.49Å; F100-V103 WeakPolarHBondContact O-CB 3.33Å; F100-V103 VanDerWaalsContact O-CG2 3.25Å; F100-V103 WeakPolarHBondContact O-CG2 3.42Å; F100-V103 PolarHBondContact O-N 2.87Å; F100-V103 VanDerWaalsContact O-N 3.09Å; F100-V136 HydrophobicContact CB-CG1 4.39Å; F100-V136 HydrophobicContact CB-CG2 3.77Å; F100-V136 HydrophobicContact CD1-CG1 4.02Å; F100-V136 HydrophobicContact CD1-CG2 4.22Å; F100-V136 HydrophobicContact CD2-CG1 3.85Å; F100-V136 HydrophobicContact CE1-CG1 4.23Å; F100-V136 HydrophobicContact CE2-CG1 4.07Å; F100-V136 HydrophobicContact CG-CG1 3.81Å; F100-V136 HydrophobicContact CG-CG2 4.01Å; F100-V136 HydrophobicContact CZ-CG1 4.25Å; F100-Q140 HydrophobicContact CE1-CB 4.45Å; F100-Q140 HydrophobicContact CZ-CB 4.13Å; F100-Q140 WeakPolarHBondContact CZ-O 3.36Å; F100-M144 HydrophobicContact CE2-CB 3.68Å; F100-M144 HydrophobicContact CE2-CG 3.86Å; F100-M144 HydrophobicContact CE2-SD 4.01Å; F100-M144 HydrophobicContact CZ-CB 3.8Å; F100-M144 HydrophobicContact CZ-CG 4.22Å; F100-M144 HydrophobicContact CZ-SD 4.03Å |
| 101 | E | 97.3 | Very high | 96.8 | Very high | 107 Ų | 107 | 39 Ų | 39 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -32.7 | 176.6 | -69.4 | 170.8 | -177.9 | 0 | 0 | 111.7 | K97 A98 V103 | K97-E101 VanDerWaalsContact CE-OE1 3.25Å; K97-E101 WeakPolarHBondContact CE-OE1 3.28Å; K97-E101 IonicContact NZ-OE1 2.74Å; K97-E101 WeakPolarHBondContact O-CG 3.34Å; K97-E101 PolarHBondContact O-N 3.46Å; A98-E101 PolarHBondContact O-N 3.11Å; A98-E101 VanDerWaalsContact O-N 3.09Å; E101-V103 VanDerWaalsContact C-N 3.28Å; E101-V103 PolarHBondContact O-N 3.27Å |
| 102 | H | 96.2 | Very high | 96.5 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.2 | 176.3 | -63 | 157.4 | 0 | 0 | 0 | 114.7 | D21 A98 F100 D104 R105 F106 | D21-H102 IonicContact OD1-CG 2.91Å; D21-H102 IonicContact OD1-ND1 3.28Å; D21-H102 PolarHBondContact OD1-ND1 3.05Å; D21-H102 IonicContact OD2-CE1 2.67Å; D21-H102 IonicContact OD2-CG 2.82Å; D21-H102 IonicContact OD2-ND1 3.74Å; D21-H102 PolarHBondContact OD2-ND1 2.84Å; A98-H102 VanDerWaalsContact O-CG 3.31Å; A98-H102 PolarHBondContact O-N 2.84Å; A98-H102 PolarHBondContact O-ND1 3.3Å; F100-H102 PolarHBondContact O-N 3.49Å; H102-D104 PolarHBondContact O-N 2.9Å; H102-R105 VanDerWaalsContact O-CB 3.3Å; H102-R105 WeakPolarHBondContact O-CB 3.41Å; H102-R105 PolarHBondContact O-N 2.72Å; H102-F106 HydrophobicContact CB-CE2 4.32Å; H102-F106 VanDerWaalsContact O-CD2 3.25Å; H102-F106 WeakPolarHBondContact O-CD2 3.23Å; H102-F106 PolarHBondContact O-N 2.87Å |
| 103 | V | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.1 | -41.7 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | I90 F92 F100 E101 R105 F106 H107 L123 M144 | I90-V103 HydrophobicContact CG2-CB 4.46Å; I90-V103 HydrophobicContact CG2-CG1 4.1Å; I90-V103 HydrophobicContact CG2-CG2 4.26Å; F92-V103 HydrophobicContact CB-CG2 4.06Å; F92-V103 HydrophobicContact CD1-CG2 4.05Å; F92-V103 HydrophobicContact CG-CG2 4.3Å; F100-V103 WeakPolarHBondContact O-CB 3.33Å; F100-V103 VanDerWaalsContact O-CG2 3.25Å; F100-V103 WeakPolarHBondContact O-CG2 3.42Å; F100-V103 PolarHBondContact O-N 2.87Å; F100-V103 VanDerWaalsContact O-N 3.09Å; E101-V103 VanDerWaalsContact C-N 3.28Å; E101-V103 PolarHBondContact O-N 3.27Å; V103-R105 PolarHBondContact O-N 3Å; V103-F106 PolarHBondContact O-N 3.44Å; V103-H107 WeakPolarHBondContact O-CB 3.48Å; V103-H107 PolarHBondContact O-N 2.98Å; V103-L123 HydrophobicContact CB-CD1 4.4Å; V103-L123 HydrophobicContact CG1-CD1 3.59Å; V103-L123 HydrophobicContact CG2-CD1 3.84Å; V103-M144 HydrophobicContact CB-SD 4.14Å; V103-M144 HydrophobicContact CG1-CG 4Å; V103-M144 HydrophobicContact CG1-SD 4.04Å |
| 104 | D | 96.4 | Very high | 96 | Very high | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.2 | -38.4 | 177.2 | -86.6 | -27.4 | 0 | 0 | 0 | 111.5 | H102 Q108 M144 K147 H148 | H102-D104 PolarHBondContact O-N 2.9Å; D104-Q108 WeakPolarHBondContact O-CB 3.45Å; D104-Q108 VanDerWaalsContact O-CG 3.23Å; D104-Q108 WeakPolarHBondContact O-CG 3.35Å; D104-Q108 PolarHBondContact O-N 3.21Å; D104-M144 WeakPolarHBondContact OD1-CE 3.47Å; D104-K147 VanDerWaalsContact CG-NZ 3.27Å; D104-K147 IonicContact OD1-NZ 3.72Å; D104-K147 PolarHBondContact OD1-NZ 3.41Å; D104-K147 IonicContact OD2-NZ 2.79Å; D104-K147 PolarHBondContact OD2-NZ 3.3Å; D104-H148 IonicContact OD1-CD2 2.96Å; D104-H148 IonicContact OD1-CE1 3.66Å; D104-H148 PolarHBondContact OD1-CE1 2.89Å; D104-H148 IonicContact OD1-NE2 2.85Å; D104-H148 PolarHBondContact OD1-NE2 3.3Å |
| 105 | R | 94.2 | Very high | 95.8 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 179.1 | -175.9 | -174.1 | -179.4 | -156.1 | -6.4 | 111.6 | E72 H102 V103 L109 | E72-R105 IonicContact OE1-NH1 3.78Å; E72-R105 IonicContact OE2-CZ 3.45Å; E72-R105 IonicContact OE2-NE 3Å; E72-R105 IonicContact OE2-NH1 2.67Å; E72-R105 PolarHBondContact OE2-NH1 3.29Å; E72-R105 IonicContact OE2-NH2 2.7Å; E72-R105 PolarHBondContact OE2-NH2 3.28Å; H102-R105 VanDerWaalsContact O-CB 3.3Å; H102-R105 WeakPolarHBondContact O-CB 3.41Å; H102-R105 PolarHBondContact O-N 2.72Å; V103-R105 PolarHBondContact O-N 3Å; R105-L109 WeakPolarHBondContact O-CB 3.45Å; R105-L109 PolarHBondContact O-N 2.81Å |
| 106 | F | 94.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.8 | -72.1 | -73.7 | 0 | 0 | 0 | 111.4 | V19 G20 D21 E72 I90 H102 V103 L109 I110 | V19-F106 HydrophobicContact CB-CD1 3.93Å; V19-F106 HydrophobicContact CB-CE1 4.24Å; V19-F106 HydrophobicContact CG2-CB 4.31Å; V19-F106 HydrophobicContact CG2-CD1 3.98Å; V19-F106 HydrophobicContact CG2-CG 4.3Å; G20-F106 VanDerWaalsContact C-CZ 3.44Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.41Å; E72-F106 WeakPolarHBondContact OE1-CE1 3.44Å; E72-F106 VanDerWaalsContact OE1-CZ 3.25Å; E72-F106 WeakPolarHBondContact OE1-CZ 3.3Å; I90-F106 HydrophobicContact CG2-CB 3.9Å; I90-F106 HydrophobicContact CG2-CD2 4.48Å; I90-F106 HydrophobicContact CG2-CG 4.42Å; H102-F106 HydrophobicContact CB-CE2 4.32Å; H102-F106 VanDerWaalsContact O-CD2 3.25Å; H102-F106 WeakPolarHBondContact O-CD2 3.23Å; H102-F106 PolarHBondContact O-N 2.87Å; V103-F106 PolarHBondContact O-N 3.44Å; F106-L109 PolarHBondContact O-N 3.31Å; F106-I110 WeakPolarHBondContact O-CD1 3.25Å; F106-I110 VanDerWaalsContact O-CG1 3.29Å; F106-I110 WeakPolarHBondContact O-CG1 3.34Å; F106-I110 PolarHBondContact O-N 3.06Å |
| 107 | H | 96.8 | Very high | 95.2 | Very high | 17 Ų | 17 | 71.3 Ų | 71.3 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 177.8 | 178.8 | -95.3 | 0 | 0 | 0 | 111.9 | I90 V103 L109 I110 L111 M121 H148 | I90-H107 HydrophobicContact CD1-CB 4.16Å; V103-H107 WeakPolarHBondContact O-CB 3.48Å; V103-H107 PolarHBondContact O-N 2.98Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.26Å; H107-I110 PolarHBondContact O-N 3.47Å; H107-L111 WeakPolarHBondContact CE1-CD1 3.49Å; H107-L111 PolarHBondContact O-N 3.28Å; H107-L111 VanDerWaalsContact O-N 3.11Å; H107-M121 VanDerWaalsContact CD2-CE 3.43Å; H107-M121 WeakPolarHBondContact CD2-CE 3.37Å; H107-M121 WeakPolarHBondContact NE2-CE 3.39Å; H107-H148 AromaticContact CD2-CG 3.86Å; H107-H148 AromaticContact CD2-ND1 3.99Å; H107-H148 AromaticContact CE1-CE1 3.99Å; H107-H148 AromaticContact CE1-CG 3.82Å; H107-H148 AromaticContact CE1-ND1 3.25Å; H107-H148 PolarHBondContact CE1-ND1 3.39Å; H107-H148 AromaticContact CG-CE1 3.93Å; H107-H148 AromaticContact CG-CG 3.91Å; H107-H148 AromaticContact CG-ND1 3.72Å; H107-H148 AromaticContact ND1-CE1 3.54Å; H107-H148 AromaticContact ND1-CG 3.91Å; H107-H148 AromaticContact ND1-ND1 3.26Å; H107-H148 PolarHBondContact ND1-ND1 2.96Å; H107-H148 AromaticContact NE2-CG 3.84Å; H107-H148 AromaticContact NE2-ND1 3.75Å |
| 108 | Q | 95.3 | Very high | 95 | Very high | 128 Ų | 128 | 69.6 Ų | 69.6 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 178.1 | -74 | 175 | 8 | 0 | 0 | 112.2 | D104 R112 | D104-Q108 WeakPolarHBondContact O-CB 3.45Å; D104-Q108 VanDerWaalsContact O-CG 3.23Å; D104-Q108 WeakPolarHBondContact O-CG 3.35Å; D104-Q108 PolarHBondContact O-N 3.21Å; Q108-R112 VanDerWaalsContact O-CB 3.26Å; Q108-R112 WeakPolarHBondContact O-CB 3.43Å; Q108-R112 PolarHBondContact O-N 2.91Å |
| 109 | L | 92.5 | Very high | 95 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.1 | 177.3 | 65.9 | 0 | 0 | 0 | 112 | M82 R105 F106 H107 L111 R112 V113 | M82-L109 HydrophobicContact CE-CD2 3.78Å; M82-L109 HydrophobicContact CE-CG 4.41Å; R105-L109 WeakPolarHBondContact O-CB 3.45Å; R105-L109 PolarHBondContact O-N 2.81Å; F106-L109 PolarHBondContact O-N 3.31Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.26Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 2.83Å; L109-R112 PolarHBondContact O-N 2.9Å; L109-V113 HydrophobicContact CD1-CG2 3.82Å; L109-V113 HydrophobicContact CG-CG2 4.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.47Å; L109-V113 PolarHBondContact O-N 2.93Å |
| 110 | I | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 178.8 | -70.3 | 160 | 0 | 0 | 0 | 109.3 | V19 M82 F88 I90 F106 H107 R112 V113 K114 F119 M121 | V19-I110 HydrophobicContact CG2-CD1 4.28Å; M82-I110 HydrophobicContact CE-CG1 4.32Å; M82-I110 HydrophobicContact SD-CG1 3.82Å; F88-I110 HydrophobicContact CB-CD1 3.7Å; F88-I110 HydrophobicContact CD1-CD1 3.88Å; F88-I110 HydrophobicContact CD1-CG1 3.97Å; F88-I110 HydrophobicContact CD2-CD1 4.15Å; F88-I110 HydrophobicContact CD2-CG1 4.21Å; F88-I110 HydrophobicContact CD2-CG2 3.63Å; F88-I110 HydrophobicContact CE1-CG1 4.23Å; F88-I110 HydrophobicContact CE2-CG1 4.45Å; F88-I110 HydrophobicContact CE2-CG2 3.69Å; F88-I110 HydrophobicContact CG-CD1 3.63Å; F88-I110 HydrophobicContact CG-CG1 3.99Å; F88-I110 HydrophobicContact CG-CG2 4.25Å; F88-I110 HydrophobicContact CZ-CG1 4.47Å; F88-I110 HydrophobicContact CZ-CG2 4.34Å; I90-I110 HydrophobicContact CD1-CD1 3.9Å; I90-I110 HydrophobicContact CG1-CD1 4Å; F106-I110 WeakPolarHBondContact O-CD1 3.25Å; F106-I110 VanDerWaalsContact O-CG1 3.29Å; F106-I110 WeakPolarHBondContact O-CG1 3.34Å; F106-I110 PolarHBondContact O-N 3.06Å; H107-I110 PolarHBondContact O-N 3.47Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 2.84Å; I110-V113 PolarHBondContact O-N 3Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.28Å; I110-K114 WeakPolarHBondContact O-CB 3.28Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 2.97Å; I110-F119 HydrophobicContact CG2-CB 4.34Å; I110-F119 HydrophobicContact CG2-CD1 4.13Å; I110-F119 HydrophobicContact CG2-CG 4.45Å; I110-M121 HydrophobicContact CB-SD 4.05Å; I110-M121 HydrophobicContact CD1-CG 4.42Å; I110-M121 HydrophobicContact CD1-SD 3.81Å; I110-M121 HydrophobicContact CG2-CG 4.37Å; I110-M121 HydrophobicContact CG2-SD 3.74Å |
| 111 | L | 95.6 | Very high | 95 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 179.3 | -66.9 | -172.9 | 0 | 0 | 0 | 112.5 | H107 L109 K114 D115 R116 F119 M121 | H107-L111 WeakPolarHBondContact CE1-CD1 3.49Å; H107-L111 PolarHBondContact O-N 3.28Å; H107-L111 VanDerWaalsContact O-N 3.11Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 2.83Å; L111-K114 PolarHBondContact O-N 3.47Å; L111-D115 PolarHBondContact O-N 2.91Å; L111-R116 WeakPolarHBondContact CB-O 3.26Å; L111-R116 PolarHBondContact O-N 3.3Å; L111-F119 HydrophobicContact CD2-CB 4.02Å; L111-M121 HydrophobicContact CD2-CE 3.79Å; L111-M121 HydrophobicContact CG-CE 4.31Å |
| 112 | R | 93.8 | Very high | 95.1 | Very high | 209 Ų | 209 | 63.4 Ų | 63.4 | 79% | 0.789 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 177.1 | -179.8 | -178.3 | 174.1 | -174.3 | -1.6 | 112.4 | Q108 L109 I110 K114 D115 | Q108-R112 VanDerWaalsContact O-CB 3.26Å; Q108-R112 WeakPolarHBondContact O-CB 3.43Å; Q108-R112 PolarHBondContact O-N 2.91Å; L109-R112 PolarHBondContact O-N 2.9Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 2.84Å; R112-K114 VanDerWaalsContact C-N 3.35Å; R112-D115 PolarHBondContact O-N 2.99Å |
| 113 | V | 92.2 | Very high | 95.2 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.9 | -33 | -179.7 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | M82 R83 L109 I110 D115 | M82-V113 HydrophobicContact CB-CB 4.08Å; M82-V113 HydrophobicContact CB-CG1 3.64Å; M82-V113 HydrophobicContact CB-CG2 4.2Å; R83-V113 HydrophobicContact CB-CG1 4.27Å; L109-V113 HydrophobicContact CD1-CG2 3.82Å; L109-V113 HydrophobicContact CG-CG2 4.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.47Å; L109-V113 PolarHBondContact O-N 2.93Å; I110-V113 PolarHBondContact O-N 3Å; V113-D115 VanDerWaalsContact C-N 3.34Å |
| 114 | K | 92.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -77.7 | -18.4 | 177.3 | -68.3 | -57.2 | -168.9 | -169.4 | 0 | 114 | M82 R83 G85 I110 L111 R112 R116 F119 | M82-K114 WeakPolarHBondContact O-CE 3.36Å; M82-K114 PolarHBondContact O-NZ 2.88Å; R83-K114 PolarHBondContact O-NZ 2.9Å; G85-K114 WeakPolarHBondContact O-CE 3.27Å; G85-K114 PolarHBondContact O-NZ 2.96Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.28Å; I110-K114 WeakPolarHBondContact O-CB 3.28Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 2.97Å; L111-K114 PolarHBondContact O-N 3.47Å; R112-K114 VanDerWaalsContact C-N 3.35Å; K114-R116 HydrophobicContact CB-CB 4.34Å; K114-R116 HydrophobicContact CB-CG 4.18Å; K114-F119 HydrophobicContact CB-CD2 3.9Å; K114-F119 HydrophobicContact CB-CE2 4.33Å; K114-F119 HydrophobicContact CB-CG 4.31Å; K114-F119 HydrophobicContact CD-CD2 4.01Å; K114-F119 HydrophobicContact CD-CE1 4.22Å; K114-F119 HydrophobicContact CD-CE2 3.64Å; K114-F119 HydrophobicContact CD-CG 4.45Å; K114-F119 HydrophobicContact CD-CZ 3.79Å; K114-F119 VanDerWaalsContact CE-CE1 3.42Å; K114-F119 HydrophobicContact CG-CD1 4.09Å; K114-F119 HydrophobicContact CG-CD2 3.64Å; K114-F119 HydrophobicContact CG-CE1 4.28Å; K114-F119 HydrophobicContact CG-CE2 3.84Å; K114-F119 HydrophobicContact CG-CG 3.8Å; K114-F119 HydrophobicContact CG-CZ 4.19Å |
| 115 | D | 94.2 | Very high | 95.4 | Very high | 133 Ų | 133 | 57.8 Ų | 57.8 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 54.2 | -173.9 | -169.6 | 38.7 | 0 | 0 | 0 | 111 | L111 R112 V113 | L111-D115 PolarHBondContact O-N 2.91Å; R112-D115 PolarHBondContact O-N 2.99Å; V113-D115 VanDerWaalsContact C-N 3.34Å |
| 116 | R | 92.6 | Very high | 95.6 | Very high | 163 Ų | 163 | 52 Ų | 52 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | trans | -143.2 | 151.1 | -176.5 | -66.7 | -69.1 | -178.2 | -119.7 | -5.2 | 111.1 | L111 K114 A118 F119 | L111-R116 WeakPolarHBondContact CB-O 3.26Å; L111-R116 PolarHBondContact O-N 3.3Å; K114-R116 HydrophobicContact CB-CB 4.34Å; K114-R116 HydrophobicContact CB-CG 4.18Å; R116-A118 WeakPolarHBondContact CB-O 3.23Å; R116-F119 HydrophobicContact CG-CD2 4.4Å | ||
| 117 | E | 92.1 | Very high | 95.8 | Very high | 194 Ų | 194 | 54.3 Ų | 54.3 | 91% | 0.907 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -78 | -27.2 | 170.5 | -63.8 | -178.9 | 167.5 | 0 | 0 | 112.5 | ||
| 118 | A | 94.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 52% | 0.521 | 26% | 0.257 | S | S | . | . | trans | -142.6 | 146.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R116 | R116-A118 WeakPolarHBondContact CB-O 3.23Š| ||
| 119 | F | 96.9 | Very high | 96 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | trans | -147.7 | 152.4 | 179.5 | -160 | -96.5 | 0 | 0 | 0 | 110.4 | G85 D86 F88 I110 L111 K114 R116 M121 | G85-F119 WeakPolarHBondContact O-CZ 3.19Å; D86-F119 VanDerWaalsContact O-CE1 3.29Å; D86-F119 WeakPolarHBondContact O-CE1 3.49Å; D86-F119 WeakPolarHBondContact O-CZ 3.38Å; F88-F119 AromaticContact CD2-CD1 3.75Å; F88-F119 HydrophobicContact CD2-CD1 3.75Å; F88-F119 AromaticContact CD2-CE1 3.83Å; F88-F119 HydrophobicContact CD2-CE1 3.83Å; F88-F119 AromaticContact CE2-CD1 3.68Å; F88-F119 HydrophobicContact CE2-CD1 3.68Å; F88-F119 AromaticContact CE2-CE1 3.48Å; F88-F119 HydrophobicContact CE2-CE1 3.48Å; F88-F119 VanDerWaalsContact CE2-CE1 3.48Å; I110-F119 HydrophobicContact CG2-CB 4.34Å; I110-F119 HydrophobicContact CG2-CD1 4.13Å; I110-F119 HydrophobicContact CG2-CG 4.45Å; L111-F119 HydrophobicContact CD2-CB 4.02Å; K114-F119 HydrophobicContact CB-CD2 3.9Å; K114-F119 HydrophobicContact CB-CE2 4.33Å; K114-F119 HydrophobicContact CB-CG 4.31Å; K114-F119 HydrophobicContact CD-CD2 4.01Å; K114-F119 HydrophobicContact CD-CE1 4.22Å; K114-F119 HydrophobicContact CD-CE2 3.64Å; K114-F119 HydrophobicContact CD-CG 4.45Å; K114-F119 HydrophobicContact CD-CZ 3.79Å; K114-F119 VanDerWaalsContact CE-CE1 3.42Å; K114-F119 HydrophobicContact CG-CD1 4.09Å; K114-F119 HydrophobicContact CG-CD2 3.64Å; K114-F119 HydrophobicContact CG-CE1 4.28Å; K114-F119 HydrophobicContact CG-CE2 3.84Å; K114-F119 HydrophobicContact CG-CG 3.8Å; K114-F119 HydrophobicContact CG-CZ 4.19Å; R116-F119 HydrophobicContact CG-CD2 4.4Å; F119-M121 HydrophobicContact CB-CE 4.21Å; F119-M121 WeakPolarHBondContact O-CE 3.29Å; F119-M121 PolarHBondContact O-N 2.81Å | ||
| 120 | P | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | trans | -59.8 | 113 | 179.9 | -26.7 | 37.7 | 0 | 0 | 0 | 111.9 | G87 F88 L171 V174 I175 Q178 | G87-P120 CarbonylContact C-O 3.53Å; G87-P120 VanDerWaalsContact CA-O 3.23Å; G87-P120 WeakPolarHBondContact CA-O 3.28Å; F88-P120 PolarHBondContact N-O 2.66Å; P120-L171 HydrophobicContact CB-CD1 4.33Å; P120-V174 HydrophobicContact CB-CG1 3.87Å; P120-I175 HydrophobicContact CB-CB 4.5Å; P120-I175 HydrophobicContact CB-CG1 3.59Å; P120-I175 HydrophobicContact CG-CG1 3.99Å; P120-Q178 HydrophobicContact CG-CG 4.19Å; P120-Q178 VanDerWaalsContact CG-OE1 3.25Å | ||
| 121 | M | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.4 | -177 | -67.4 | 179.5 | -76.8 | 0 | 0 | 109.8 | F88 I90 H107 I110 L111 F119 I150 | F88-M121 HydrophobicContact CB-CG 4.22Å; F88-M121 CarbonylContact O-C 3.59Å; F88-M121 VanDerWaalsContact O-CA 3.26Å; F88-M121 WeakPolarHBondContact O-CA 3.26Å; I90-M121 HydrophobicContact CD1-SD 4.01Å; H107-M121 VanDerWaalsContact CD2-CE 3.43Å; H107-M121 WeakPolarHBondContact CD2-CE 3.37Å; H107-M121 WeakPolarHBondContact NE2-CE 3.39Å; I110-M121 HydrophobicContact CB-SD 4.05Å; I110-M121 HydrophobicContact CD1-CG 4.42Å; I110-M121 HydrophobicContact CD1-SD 3.81Å; I110-M121 HydrophobicContact CG2-CG 4.37Å; I110-M121 HydrophobicContact CG2-SD 3.74Å; L111-M121 HydrophobicContact CD2-CE 3.79Å; L111-M121 HydrophobicContact CG-CE 4.31Å; F119-M121 HydrophobicContact CB-CE 4.21Å; F119-M121 WeakPolarHBondContact O-CE 3.29Å; F119-M121 PolarHBondContact O-N 2.81Å; M121-I150 HydrophobicContact CB-CG2 3.96Å; M121-I150 HydrophobicContact CE-CG2 4.37Å |
| 122 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.3 | 169.6 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | F88 L89 I90 V124 I153 E170 L171 V174 | F88-V122 PolarHBondContact O-N 2.73Å; L89-V122 HydrophobicContact CD2-CB 3.81Å; L89-V122 HydrophobicContact CD2-CG1 4.32Å; L89-V122 HydrophobicContact CD2-CG2 4.46Å; I90-V122 PolarHBondContact N-O 2.84Å; V122-V124 HydrophobicContact CG1-CG2 4.11Å; V122-I153 HydrophobicContact CG1-CD1 4.05Å; V122-I153 HydrophobicContact CG1-CG1 4.2Å; V122-E170 HydrophobicContact CG2-CG 4.32Å; V122-L171 HydrophobicContact CG2-CB 4.02Å; V122-L171 HydrophobicContact CG2-CD1 4.12Å; V122-V174 HydrophobicContact CG2-CG2 4.45Å |
| 123 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.6 | 172.5 | -177.3 | 59.1 | 0 | 0 | 0 | 109.5 | I90 F92 V103 M144 A145 I150 T151 Y152 I153 | I90-L123 HydrophobicContact CB-CD1 4.42Å; I90-L123 HydrophobicContact CG2-CD1 4.46Å; F92-L123 HydrophobicContact CD1-CD1 3.8Å; F92-L123 HydrophobicContact CD1-CG 4.39Å; F92-L123 HydrophobicContact CE1-CD1 3.96Å; F92-L123 HydrophobicContact CE1-CD2 4.34Å; F92-L123 HydrophobicContact CE1-CG 4.06Å; V103-L123 HydrophobicContact CB-CD1 4.4Å; V103-L123 HydrophobicContact CG1-CD1 3.59Å; V103-L123 HydrophobicContact CG2-CD1 3.84Å; L123-M144 HydrophobicContact CD2-CB 3.99Å; L123-M144 HydrophobicContact CD2-CG 3.73Å; L123-A145 HydrophobicContact CB-CB 4.47Å; L123-A145 HydrophobicContact CD2-CB 4.04Å; L123-I150 HydrophobicContact CB-CD1 3.86Å; L123-I150 HydrophobicContact CB-CG1 4.29Å; L123-T151 PolarHBondContact N-O 3.38Å; L123-Y152 HydrophobicContact CB-CD2 4.44Å; L123-Y152 HydrophobicContact CD2-CD2 4.02Å; L123-Y152 HydrophobicContact CG-CD2 4.1Å; L123-Y152 WeakPolarHBondContact O-CA 3.31Å; L123-I153 PolarHBondContact O-N 3.28Å |
| 124 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.6 | -175.6 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | L29 L89 I90 V91 F92 V122 I153 T155 A167 | L29-V124 HydrophobicContact CD1-CG1 4.02Å; L89-V124 HydrophobicContact CB-CG2 4.27Å; L89-V124 HydrophobicContact CD2-CG2 3.98Å; I90-V124 PolarHBondContact O-N 2.89Å; V91-V124 WeakPolarHBondContact CA-O 3.47Å; V91-V124 HydrophobicContact CG1-CG1 4.37Å; V91-V124 HydrophobicContact CG2-CB 4.15Å; V91-V124 HydrophobicContact CG2-CG1 4.48Å; F92-V124 WeakPolarHBondContact CD1-O 3.29Å; F92-V124 PolarHBondContact N-O 2.9Å; V122-V124 HydrophobicContact CG1-CG2 4.11Å; V124-I153 WeakPolarHBondContact CA-O 3.28Å; V124-T155 HydrophobicContact CG1-CG2 3.71Å; V124-T155 VanDerWaalsContact CG1-OG1 3.27Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.41Å; V124-A167 HydrophobicContact CG2-CB 4.28Å |
| 125 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 97.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F92 V94 V128 Y152 I153 E154 T155 | F92-A125 HydrophobicContact CD1-CB 4.46Å; F92-A125 HydrophobicContact CE1-CB 3.59Å; F92-A125 HydrophobicContact CE2-CB 4.1Å; F92-A125 HydrophobicContact CZ-CB 3.39Å; V94-A125 HydrophobicContact CG1-CB 3.79Å; A125-V128 WeakPolarHBondContact O-CG1 3.42Å; A125-Y152 HydrophobicContact CB-CE2 3.57Å; A125-Y152 VanDerWaalsContact CB-OH 3.25Å; A125-Y152 WeakPolarHBondContact CB-OH 3.4Å; A125-I153 PolarHBondContact N-O 3.48Å; A125-E154 HydrophobicContact CB-CG 4.08Å; A125-E154 CarbonylContact O-C 3.54Å; A125-E154 WeakPolarHBondContact O-CA 3.4Å; A125-T155 PolarHBondContact O-N 3.42Å |
| 126 | N | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 165 | -176.2 | -166.5 | 27 | 0 | 0 | 0 | 112.5 | V24 L29 V91 F92 V94 T155 | V24-N126 PolarHBondContact O-ND2 3.06Å; L29-N126 HydrophobicContact CD1-CB 4.23Å; V91-N126 HydrophobicContact CG1-CB 3.94Å; F92-N126 PolarHBondContact O-N 3.36Å; V94-N126 PolarHBondContact N-O 3.47Å; N126-T155 CarbonylContact C-O 3.58Å; N126-T155 WeakPolarHBondContact CA-O 3.29Å; N126-T155 WeakPolarHBondContact CA-OG1 3.33Å; N126-T155 PolarHBondContact OD1-O 2.97Å; N126-T155 PolarHBondContact OD1-OG1 2.97Å |
| 127 | K | 98.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 56 Ų | 56 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | trans | 66.8 | 31.9 | 176.7 | -43.3 | -164.8 | -166.6 | -176.9 | 0 | 114.6 | G23 V24 S93 V94 D129 L130 T155 | G23-K127 VanDerWaalsContact O-CE 3.31Å; G23-K127 WeakPolarHBondContact O-CE 2.92Å; G23-K127 PolarHBondContact O-NZ 3.49Å; V24-K127 WeakPolarHBondContact O-CE 3.07Å; S93-K127 WeakPolarHBondContact OG-CD 3.34Å; V94-K127 WeakPolarHBondContact CG2-O 3.46Å; K127-D129 WeakPolarHBondContact CA-OD1 3.42Å; K127-D129 PolarHBondContact O-N 2.79Å; K127-L130 HydrophobicContact CB-CD1 4.04Å; K127-L130 HydrophobicContact CB-CG 4.36Å; K127-L130 HydrophobicContact CD-CD1 4.13Å; K127-L130 WeakPolarHBondContact O-CB 3.43Å; K127-L130 PolarHBondContact O-N 2.86Å; K127-T155 PolarHBondContact N-O 2.88Å | ||
| 128 | V | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.1 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | V94 A125 L130 E154 T155 M162 | V94-V128 HydrophobicContact CG1-CG1 3.8Å; V94-V128 HydrophobicContact CG2-CG1 4.15Å; A125-V128 WeakPolarHBondContact O-CG1 3.42Å; V128-L130 PolarHBondContact O-N 2.88Å; V128-E154 HydrophobicContact CG1-CB 3.84Å; V128-E154 HydrophobicContact CG1-CG 3.93Å; V128-E154 HydrophobicContact CG2-CB 4.44Å; V128-T155 VanDerWaalsContact CG2-O 3.28Å; V128-T155 WeakPolarHBondContact CG2-O 3.41Å; V128-T155 PolarHBondContact N-O 3.01Å; V128-M162 HydrophobicContact CG2-CE 3.33Å; V128-M162 HydrophobicContact CG2-SD 4.21Å |
| 129 | D | 98.2 | Very high | 98.2 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.4 | 168.4 | 58.9 | -73.4 | 0 | 0 | 0 | 112.9 | K127 V131 S156 K158 | K127-D129 WeakPolarHBondContact CA-OD1 3.42Å; K127-D129 PolarHBondContact O-N 2.79Å; D129-V131 VanDerWaalsContact C-N 3.26Å; D129-V131 PolarHBondContact O-N 2.97Å; D129-S156 VanDerWaalsContact OD1-CB 3.31Å; D129-S156 WeakPolarHBondContact OD1-CB 3.36Å; D129-S156 PolarHBondContact OD1-OG 2.73Å; D129-K158 WeakPolarHBondContact OD2-CD 3.46Å |
| 130 | L | 96.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | trans | -87 | 57.8 | 179.7 | -58.3 | -179.1 | 0 | 0 | 0 | 112 | T95 K127 V128 H132 L133 R134 | T95-L130 HydrophobicContact CG2-CB 3.62Å; T95-L130 HydrophobicContact CG2-CD1 3.79Å; T95-L130 HydrophobicContact CG2-CG 4.34Å; K127-L130 HydrophobicContact CB-CD1 4.04Å; K127-L130 HydrophobicContact CB-CG 4.36Å; K127-L130 HydrophobicContact CD-CD1 4.13Å; K127-L130 WeakPolarHBondContact O-CB 3.43Å; K127-L130 PolarHBondContact O-N 2.86Å; V128-L130 PolarHBondContact O-N 2.88Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 3.32Å; L130-L133 HydrophobicContact CB-CB 4.28Å; L130-L133 HydrophobicContact CD1-CD1 4.43Å; L130-L133 PolarHBondContact O-N 3.34Å; L130-R134 PolarHBondContact O-N 2.75Å | ||
| 131 | V | 96.7 | Very high | 98.3 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 62% | 0.624 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -52.1 | -45.1 | -173.5 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | D129 L133 R134 | D129-V131 VanDerWaalsContact C-N 3.26Å; D129-V131 PolarHBondContact O-N 2.97Å; V131-L133 VanDerWaalsContact C-N 3.26Å; V131-L133 PolarHBondContact O-N 3.17Å; V131-R134 VanDerWaalsContact O-CB 3.27Å; V131-R134 WeakPolarHBondContact O-CB 3.42Å; V131-R134 PolarHBondContact O-N 3.25Å |
| 132 | H | 97.4 | Very high | 98.3 | Very high | 192 Ų | 192 | 56.6 Ų | 56.6 | 89% | 0.889 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -70.8 | -18.5 | -178.6 | -61.9 | -60.2 | 0 | 0 | 0 | 114.4 | L130 | L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 3.32Å |
| 133 | L | 97.8 | Very high | 98.3 | Very high | 108 Ų | 108 | 63 Ų | 63 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -102 | 1.4 | 178.9 | -61.1 | 177.4 | 0 | 0 | 0 | 111.9 | T95 L130 V131 K135 | T95-L133 VanDerWaalsContact CA-O 3.3Å; T95-L133 WeakPolarHBondContact CA-O 3.33Å; T95-L133 WeakPolarHBondContact CB-O 3.3Å; T95-L133 HydrophobicContact CG2-CB 3.71Å; L130-L133 HydrophobicContact CB-CB 4.28Å; L130-L133 HydrophobicContact CD1-CD1 4.43Å; L130-L133 PolarHBondContact O-N 3.34Å; V131-L133 VanDerWaalsContact C-N 3.26Å; V131-L133 PolarHBondContact O-N 3.17Å; L133-K135 PolarHBondContact O-N 2.87Å |
| 134 | R | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | trans | -63.8 | 124.2 | -177.4 | -172.9 | 168.2 | -171.3 | 155.1 | 10 | 110.5 | V94 L130 V131 V136 E154 | V94-R134 HydrophobicContact CB-CG 4.17Å; V94-R134 HydrophobicContact CG2-CG 4.18Å; L130-R134 PolarHBondContact O-N 2.75Å; V131-R134 VanDerWaalsContact O-CB 3.27Å; V131-R134 WeakPolarHBondContact O-CB 3.42Å; V131-R134 PolarHBondContact O-N 3.25Å; R134-V136 WeakPolarHBondContact CG-O 3.46Å; R134-V136 PolarHBondContact NE-O 3.42Å; R134-V136 PolarHBondContact NH2-O 3.27Å; R134-E154 IonicContact CZ-OE1 3.57Å; R134-E154 IonicContact NH1-OE1 3.95Å; R134-E154 PolarHBondContact NH1-OE1 3.23Å; R134-E154 IonicContact NH1-OE2 3.66Å; R134-E154 IonicContact NH2-OE1 3.37Å; R134-E154 PolarHBondContact NH2-OE1 3.01Å | ||
| 135 | K | 98.5 | Very high | 98.3 | Very high | 135 Ų | 135 | 64 Ų | 64 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | trans | -113.5 | -16 | 176.9 | -60.5 | -175.9 | -171.9 | 167.3 | 0 | 113.3 | V94 T95 K97 L133 | V94-K135 PolarHBondContact O-N 2.85Å; T95-K135 VanDerWaalsContact O-CD 3.28Å; T95-K135 WeakPolarHBondContact O-CD 3.48Å; T95-K135 VanDerWaalsContact O-CE 3.32Å; T95-K135 WeakPolarHBondContact O-CE 3.36Å; T95-K135 PolarHBondContact O-NZ 2.67Å; K97-K135 HydrophobicContact CB-CB 4.36Å; L133-K135 PolarHBondContact O-N 2.87Å | ||
| 136 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -121.6 | 119.6 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 109 | F92 V94 K97 F100 R134 Q140 | F92-V136 HydrophobicContact CE2-CB 4.07Å; F92-V136 HydrophobicContact CE2-CG1 3.84Å; F92-V136 HydrophobicContact CE2-CG2 4.36Å; F92-V136 HydrophobicContact CZ-CG1 4.22Å; V94-V136 PolarHBondContact O-N 3.01Å; V94-V136 VanDerWaalsContact O-N 3.12Å; K97-V136 HydrophobicContact CB-CG2 4.44Å; K97-V136 HydrophobicContact CG-CG2 4.47Å; F100-V136 HydrophobicContact CB-CG1 4.39Å; F100-V136 HydrophobicContact CB-CG2 3.77Å; F100-V136 HydrophobicContact CD1-CG1 4.02Å; F100-V136 HydrophobicContact CD1-CG2 4.22Å; F100-V136 HydrophobicContact CD2-CG1 3.85Å; F100-V136 HydrophobicContact CE1-CG1 4.23Å; F100-V136 HydrophobicContact CE2-CG1 4.07Å; F100-V136 HydrophobicContact CG-CG1 3.81Å; F100-V136 HydrophobicContact CG-CG2 4.01Å; F100-V136 HydrophobicContact CZ-CG1 4.25Å; R134-V136 WeakPolarHBondContact CG-O 3.46Å; R134-V136 PolarHBondContact NE-O 3.42Å; R134-V136 PolarHBondContact NH2-O 3.27Å; V136-Q140 HydrophobicContact CG1-CB 3.97Å |
| 137 | T | 98.6 | Very high | 98.2 | Very high | 67 Ų | 67 | 73.6 Ų | 73.6 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | trans | -75 | 167.7 | -178.6 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | D139 Q140 G141 | T137-D139 VanDerWaalsContact C-N 3.32Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.4Å; T137-Q140 PolarHBondContact OG1-N 3.4Å; T137-Q140 PolarHBondContact OG1-OE1 2.82Å; T137-G141 PolarHBondContact O-N 2.67Å | ||
| 138 | S | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 177.7 | -152.6 | 0 | 0 | 0 | 0 | 110 | Q140 G141 Q142 E154 | S138-Q140 PolarHBondContact O-N 3.01Å; S138-G141 WeakPolarHBondContact O-CA 3.38Å; S138-G141 PolarHBondContact O-N 2.91Å; S138-Q142 WeakPolarHBondContact O-CG 3.41Å; S138-Q142 PolarHBondContact O-N 3.25Å; S138-E154 VanDerWaalsContact CB-OE1 3.23Å; S138-E154 WeakPolarHBondContact CB-OE1 3.27Å; S138-E154 PolarHBondContact OG-OE1 3.3Å |
| 139 | D | 98.7 | Very high | 98.2 | Very high | 105 Ų | 105 | 78.5 Ų | 78.5 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.6 | -44.8 | 178.7 | -56.8 | -15.2 | 0 | 0 | 0 | 111.7 | T137 G141 Q142 E143 | T137-D139 VanDerWaalsContact C-N 3.32Å; D139-G141 VanDerWaalsContact C-N 3.29Å; D139-G141 PolarHBondContact O-N 2.75Å; D139-Q142 PolarHBondContact O-N 2.7Å; D139-E143 WeakPolarHBondContact O-CB 3.36Å; D139-E143 WeakPolarHBondContact O-CG 3.34Å; D139-E143 PolarHBondContact O-N 3.33Å |
| 140 | Q | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 76.9 Ų | 76.9 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 175 | -72.5 | 176.1 | -54.8 | 0 | 0 | 112.2 | F100 V136 T137 S138 M144 | F100-Q140 HydrophobicContact CE1-CB 4.45Å; F100-Q140 HydrophobicContact CZ-CB 4.13Å; F100-Q140 WeakPolarHBondContact CZ-O 3.36Å; V136-Q140 HydrophobicContact CG1-CB 3.97Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.4Å; T137-Q140 PolarHBondContact OG1-N 3.4Å; T137-Q140 PolarHBondContact OG1-OE1 2.82Å; S138-Q140 PolarHBondContact O-N 3.01Å; Q140-M144 WeakPolarHBondContact O-CB 3.42Å; Q140-M144 PolarHBondContact O-N 3.35Å |
| 141 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T137 S138 D139 M144 A145 Y152 | T137-G141 PolarHBondContact O-N 2.67Å; S138-G141 WeakPolarHBondContact O-CA 3.38Å; S138-G141 PolarHBondContact O-N 2.91Å; D139-G141 VanDerWaalsContact C-N 3.29Å; D139-G141 PolarHBondContact O-N 2.75Å; G141-M144 PolarHBondContact O-N 3Å; G141-A145 WeakPolarHBondContact O-CB 3.25Å; G141-A145 PolarHBondContact O-N 3.11Å; G141-Y152 VanDerWaalsContact CA-CE2 3.5Å |
| 142 | Q | 98.6 | Very high | 98.3 | Very high | 105 Ų | 105 | 73.5 Ų | 73.5 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.5 | -69.4 | 178.7 | 15.9 | 0 | 0 | 111.9 | S138 D139 A145 A146 Y152 | S138-Q142 WeakPolarHBondContact O-CG 3.41Å; S138-Q142 PolarHBondContact O-N 3.25Å; D139-Q142 PolarHBondContact O-N 2.7Å; Q142-A145 PolarHBondContact O-N 2.96Å; Q142-A146 WeakPolarHBondContact O-CB 3.45Å; Q142-A146 PolarHBondContact O-N 2.58Å; Q142-Y152 HydrophobicContact CG-CD1 3.64Å; Q142-Y152 HydrophobicContact CG-CE1 3.99Å; Q142-Y152 HydrophobicContact CG-CG 4.32Å |
| 143 | E | 98.8 | Very high | 98.4 | Very high | 135 Ų | 135 | 64.7 Ų | 64.7 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 174.9 | -75.4 | 176.5 | -176.8 | 0 | 0 | 111.7 | D139 A145 A146 K147 | D139-E143 WeakPolarHBondContact O-CB 3.36Å; D139-E143 WeakPolarHBondContact O-CG 3.34Å; D139-E143 PolarHBondContact O-N 3.33Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.26Å; E143-A146 PolarHBondContact O-N 3.35Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 PolarHBondContact O-N 2.97Å |
| 144 | M | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175 | 179.8 | 99.5 | -67.1 | 0 | 0 | 111.6 | F100 V103 D104 L123 Q140 G141 K147 H148 | F100-M144 HydrophobicContact CE2-CB 3.68Å; F100-M144 HydrophobicContact CE2-CG 3.86Å; F100-M144 HydrophobicContact CE2-SD 4.01Å; F100-M144 HydrophobicContact CZ-CB 3.8Å; F100-M144 HydrophobicContact CZ-CG 4.22Å; F100-M144 HydrophobicContact CZ-SD 4.03Å; V103-M144 HydrophobicContact CB-SD 4.14Å; V103-M144 HydrophobicContact CG1-CG 4Å; V103-M144 HydrophobicContact CG1-SD 4.04Å; D104-M144 WeakPolarHBondContact OD1-CE 3.47Å; L123-M144 HydrophobicContact CD2-CB 3.99Å; L123-M144 HydrophobicContact CD2-CG 3.73Å; Q140-M144 WeakPolarHBondContact O-CB 3.42Å; Q140-M144 PolarHBondContact O-N 3.35Å; G141-M144 PolarHBondContact O-N 3Å; M144-K147 HydrophobicContact CE-CD 3.68Å; M144-K147 PolarHBondContact O-N 3.06Å; M144-H148 PolarHBondContact O-CD2 3.26Å; M144-H148 VanDerWaalsContact O-CD2 3.26Å; M144-H148 PolarHBondContact O-N 2.85Å |
| 145 | A | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L123 G141 Q142 E143 H148 N149 I150 Y152 | L123-A145 HydrophobicContact CB-CB 4.47Å; L123-A145 HydrophobicContact CD2-CB 4.04Å; G141-A145 WeakPolarHBondContact O-CB 3.25Å; G141-A145 PolarHBondContact O-N 3.11Å; Q142-A145 PolarHBondContact O-N 2.96Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.26Å; A145-H148 CarbonylContact O-C 3.58Å; A145-H148 PolarHBondContact O-N 2.96Å; A145-N149 WeakPolarHBondContact O-CA 3.26Å; A145-N149 PolarHBondContact O-N 2.91Å; A145-I150 HydrophobicContact CB-CG1 4.3Å; A145-I150 WeakPolarHBondContact CB-O 3.4Å; A145-I150 PolarHBondContact O-N 2.95Å; A145-Y152 HydrophobicContact CB-CG 4.48Å |
| 146 | A | 98.4 | Very high | 98.5 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q142 E143 H148 N149 | Q142-A146 WeakPolarHBondContact O-CB 3.45Å; Q142-A146 PolarHBondContact O-N 2.58Å; E143-A146 PolarHBondContact O-N 3.35Å; A146-H148 PolarHBondContact O-N 3.21Å; A146-N149 PolarHBondContact O-N 3.32Å; A146-N149 VanDerWaalsContact O-N 3.11Å |
| 147 | K | 98.1 | Very high | 98.4 | Very high | 129 Ų | 129 | 51.5 Ų | 51.5 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -54.7 | -39.1 | 174.2 | 174.8 | -173.1 | 169.5 | -161.2 | 0 | 112 | D104 E143 M144 | D104-K147 VanDerWaalsContact CG-NZ 3.27Å; D104-K147 IonicContact OD1-NZ 3.72Å; D104-K147 PolarHBondContact OD1-NZ 3.41Å; D104-K147 IonicContact OD2-NZ 2.79Å; D104-K147 PolarHBondContact OD2-NZ 3.3Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 PolarHBondContact O-N 2.97Å; M144-K147 HydrophobicContact CE-CD 3.68Å; M144-K147 PolarHBondContact O-N 3.06Å |
| 148 | H | 97.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 13% | 0.134 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -94.7 | -2.5 | -179.6 | -66.6 | -49.4 | 0 | 0 | 0 | 114.2 | D104 H107 M144 A145 A146 I150 | D104-H148 IonicContact OD1-CD2 2.96Å; D104-H148 IonicContact OD1-CE1 3.66Å; D104-H148 PolarHBondContact OD1-CE1 2.89Å; D104-H148 IonicContact OD1-NE2 2.85Å; D104-H148 PolarHBondContact OD1-NE2 3.3Å; H107-H148 AromaticContact CD2-CG 3.86Å; H107-H148 AromaticContact CD2-ND1 3.99Å; H107-H148 AromaticContact CE1-CE1 3.99Å; H107-H148 AromaticContact CE1-CG 3.82Å; H107-H148 AromaticContact CE1-ND1 3.25Å; H107-H148 PolarHBondContact CE1-ND1 3.39Å; H107-H148 AromaticContact CG-CE1 3.93Å; H107-H148 AromaticContact CG-CG 3.91Å; H107-H148 AromaticContact CG-ND1 3.72Å; H107-H148 AromaticContact ND1-CE1 3.54Å; H107-H148 AromaticContact ND1-CG 3.91Å; H107-H148 AromaticContact ND1-ND1 3.26Å; H107-H148 PolarHBondContact ND1-ND1 2.96Å; H107-H148 AromaticContact NE2-CG 3.84Å; H107-H148 AromaticContact NE2-ND1 3.75Å; M144-H148 PolarHBondContact O-CD2 3.26Å; M144-H148 VanDerWaalsContact O-CD2 3.26Å; M144-H148 PolarHBondContact O-N 2.85Å; A145-H148 CarbonylContact O-C 3.58Å; A145-H148 PolarHBondContact O-N 2.96Å; A146-H148 PolarHBondContact O-N 3.21Å; H148-I150 VanDerWaalsContact C-N 3.35Å; H148-I150 HydrophobicContact CB-CD1 4.08Å; H148-I150 HydrophobicContact CB-CG1 4.02Å; H148-I150 HydrophobicContact CB-CG2 4.41Å; H148-I150 PolarHBondContact O-N 2.81Å |
| 149 | N | 97.2 | Very high | 98.1 | Very high | 149 Ų | 149 | 56 Ų | 56 | 80% | 0.797 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 46.8 | -174.6 | -168.5 | 45.2 | 0 | 0 | 0 | 113.3 | A145 A146 | A145-N149 WeakPolarHBondContact O-CA 3.26Å; A145-N149 PolarHBondContact O-N 2.91Å; A146-N149 PolarHBondContact O-N 3.32Å; A146-N149 VanDerWaalsContact O-N 3.11Å |
| 150 | I | 98.2 | Very high | 98 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | trans | -125.1 | 161.8 | 178.7 | 63.2 | 179.7 | 0 | 0 | 0 | 111.2 | M121 L123 A145 H148 | M121-I150 HydrophobicContact CB-CG2 3.96Å; M121-I150 HydrophobicContact CE-CG2 4.37Å; L123-I150 HydrophobicContact CB-CD1 3.86Å; L123-I150 HydrophobicContact CB-CG1 4.29Å; A145-I150 HydrophobicContact CB-CG1 4.3Å; A145-I150 WeakPolarHBondContact CB-O 3.4Å; A145-I150 PolarHBondContact O-N 2.95Å; H148-I150 VanDerWaalsContact C-N 3.35Å; H148-I150 HydrophobicContact CB-CD1 4.08Å; H148-I150 HydrophobicContact CB-CG1 4.02Å; H148-I150 HydrophobicContact CB-CG2 4.41Å; H148-I150 PolarHBondContact O-N 2.81Å | ||
| 151 | T | 98.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.9 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | L123 I153 E170 | L123-T151 PolarHBondContact N-O 3.38Å; T151-I153 HydrophobicContact CG2-CD1 4.47Å; T151-I153 HydrophobicContact CG2-CG1 4.22Å; T151-E170 HydrophobicContact CG2-CG 3.97Å |
| 152 | Y | 98.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 60 Ų | 60 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.3 | 172.7 | 179.3 | -112 | 0 | 0 | 0 | 111.4 | F92 L123 A125 G141 Q142 A145 E154 | F92-Y152 HydrophobicContact CE1-CE2 4.28Å; F92-Y152 HydrophobicContact CZ-CE2 4.35Å; L123-Y152 HydrophobicContact CB-CD2 4.44Å; L123-Y152 HydrophobicContact CD2-CD2 4.02Å; L123-Y152 HydrophobicContact CG-CD2 4.1Å; L123-Y152 WeakPolarHBondContact O-CA 3.31Å; A125-Y152 HydrophobicContact CB-CE2 3.57Å; A125-Y152 VanDerWaalsContact CB-OH 3.25Å; A125-Y152 WeakPolarHBondContact CB-OH 3.4Å; G141-Y152 VanDerWaalsContact CA-CE2 3.5Å; Q142-Y152 HydrophobicContact CG-CD1 3.64Å; Q142-Y152 HydrophobicContact CG-CE1 3.99Å; Q142-Y152 HydrophobicContact CG-CG 4.32Å; A145-Y152 HydrophobicContact CB-CG 4.48Å; Y152-E154 HydrophobicContact CE1-CG 3.7Å; Y152-E154 VanDerWaalsContact OH-CG 3.3Å; Y152-E154 WeakPolarHBondContact OH-CG 3.44Å; Y152-E154 PolarHBondContact OH-OE1 2.85Å |
| 153 | I | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.8 | 174.6 | -62.4 | 179.8 | 0 | 0 | 0 | 110.2 | V122 L123 V124 A125 T151 T155 N163 K166 A167 E170 | V122-I153 HydrophobicContact CG1-CD1 4.05Å; V122-I153 HydrophobicContact CG1-CG1 4.2Å; L123-I153 PolarHBondContact O-N 3.28Å; V124-I153 WeakPolarHBondContact CA-O 3.28Å; A125-I153 PolarHBondContact N-O 3.48Å; T151-I153 HydrophobicContact CG2-CD1 4.47Å; T151-I153 HydrophobicContact CG2-CG1 4.22Å; I153-T155 HydrophobicContact CG2-CG2 3.85Å; I153-N163 HydrophobicContact CG2-CB 3.82Å; I153-K166 HydrophobicContact CD1-CG 4.29Å; I153-A167 HydrophobicContact CD1-CB 4.45Å; I153-A167 HydrophobicContact CG2-CB 4.39Å; I153-E170 HydrophobicContact CD1-CB 3.75Å; I153-E170 HydrophobicContact CD1-CG 3.96Å |
| 154 | E | 98.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 134.3 | 166.6 | -74.3 | -167.6 | 174.5 | 0 | 0 | 110.9 | A125 V128 R134 S138 Y152 M162 N163 | A125-E154 HydrophobicContact CB-CG 4.08Å; A125-E154 CarbonylContact O-C 3.54Å; A125-E154 WeakPolarHBondContact O-CA 3.4Å; V128-E154 HydrophobicContact CG1-CB 3.84Å; V128-E154 HydrophobicContact CG1-CG 3.93Å; V128-E154 HydrophobicContact CG2-CB 4.44Å; R134-E154 IonicContact CZ-OE1 3.57Å; R134-E154 IonicContact NH1-OE1 3.95Å; R134-E154 PolarHBondContact NH1-OE1 3.23Å; R134-E154 IonicContact NH1-OE2 3.66Å; R134-E154 IonicContact NH2-OE1 3.37Å; R134-E154 PolarHBondContact NH2-OE1 3.01Å; S138-E154 VanDerWaalsContact CB-OE1 3.23Å; S138-E154 WeakPolarHBondContact CB-OE1 3.27Å; S138-E154 PolarHBondContact OG-OE1 3.3Å; Y152-E154 HydrophobicContact CE1-CG 3.7Å; Y152-E154 VanDerWaalsContact OH-CG 3.3Å; Y152-E154 WeakPolarHBondContact OH-CG 3.44Å; Y152-E154 PolarHBondContact OH-OE1 2.85Å; E154-M162 HydrophobicContact CB-CE 3.79Å; E154-M162 VanDerWaalsContact O-CE 3.25Å; E154-M162 WeakPolarHBondContact O-CE 3.34Å; E154-N163 VanDerWaalsContact O-CB 3.24Å; E154-N163 WeakPolarHBondContact O-CB 3.29Å; E154-N163 PolarHBondContact O-ND2 3.35Å |
| 155 | T | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -133.6 | 156.5 | -178.5 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | V124 A125 N126 K127 V128 I153 M162 N163 A167 | V124-T155 HydrophobicContact CG1-CG2 3.71Å; V124-T155 VanDerWaalsContact CG1-OG1 3.27Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.41Å; A125-T155 PolarHBondContact O-N 3.42Å; N126-T155 CarbonylContact C-O 3.58Å; N126-T155 WeakPolarHBondContact CA-O 3.29Å; N126-T155 WeakPolarHBondContact CA-OG1 3.33Å; N126-T155 PolarHBondContact OD1-O 2.97Å; N126-T155 PolarHBondContact OD1-OG1 2.97Å; K127-T155 PolarHBondContact N-O 2.88Å; V128-T155 VanDerWaalsContact CG2-O 3.28Å; V128-T155 WeakPolarHBondContact CG2-O 3.41Å; V128-T155 PolarHBondContact N-O 3.01Å; I153-T155 HydrophobicContact CG2-CG2 3.85Å; T155-M162 VanDerWaalsContact CA-O 3.28Å; T155-M162 WeakPolarHBondContact CA-O 3.42Å; T155-M162 WeakPolarHBondContact CB-O 3.47Å; T155-N163 HydrophobicContact CG2-CB 4.04Å; T155-A167 HydrophobicContact CG2-CB 4.18Å | ||
| 156 | S | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | 125.8 | 160.2 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | D129 K158 P161 M162 V164 | D129-S156 VanDerWaalsContact OD1-CB 3.31Å; D129-S156 WeakPolarHBondContact OD1-CB 3.36Å; D129-S156 PolarHBondContact OD1-OG 2.73Å; S156-K158 VanDerWaalsContact C-N 3.29Å; S156-K158 PolarHBondContact OG-N 2.9Å; S156-P161 WeakPolarHBondContact O-CA 3.49Å; S156-M162 PolarHBondContact N-O 3.29Å; S156-M162 PolarHBondContact O-N 2.95Å; S156-V164 WeakPolarHBondContact O-CG2 3.36Å |
| 157 | A | 97.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | trans | -77 | -18.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A28 L29 Q32 F38 | A28-A157 HydrophobicContact CB-CB 3.74Å; L29-A157 HydrophobicContact CD2-CB 4.01Å; L29-A157 HydrophobicContact CG-CB 4.31Å; Q32-A157 PolarHBondContact NE2-O 2.96Å; F38-A157 HydrophobicContact CD2-CB 4.19Å; F38-A157 VanDerWaalsContact CD2-O 3.29Å; F38-A157 WeakPolarHBondContact CD2-O 3.37Å; F38-A157 HydrophobicContact CE2-CB 4.33Å | ||
| 158 | K | 96.5 | Very high | 97.8 | Very high | 105 Ų | 105 | 49 Ų | 49 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -70.7 | 145 | -177.4 | -174.3 | -179.8 | 178.9 | -178.9 | 0 | 110.3 | F38 D129 S156 P160 P161 | F38-K158 HydrophobicContact CD1-CG 4.35Å; F38-K158 HydrophobicContact CE1-CG 4.24Å; F38-K158 HydrophobicContact CE2-CB 4.44Å; F38-K158 HydrophobicContact CZ-CB 4.42Å; D129-K158 WeakPolarHBondContact OD2-CD 3.46Å; S156-K158 VanDerWaalsContact C-N 3.29Å; S156-K158 PolarHBondContact OG-N 2.9Å; K158-P160 CarbonylContact O-C 3.47Å; K158-P161 VanDerWaalsContact O-CA 3.26Å; K158-P161 WeakPolarHBondContact O-CA 3.2Å |
| 159 | D | 93.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -72.7 | 133.6 | 177.6 | -64.6 | -46.3 | 0 | 0 | 0 | 112.3 | Q32 F38 | Q32-D159 PolarHBondContact NE2-OD1 3.35Å; F38-D159 WeakPolarHBondContact CB-OD2 3.42Å |
| 160 | P | 96.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 44 Ų | 44 | 79% | 0.792 | 23% | 0.23 | S | C | * | . | S | Bend | cis | -73.5 | 133.2 | -6.1 | 30.4 | -33.8 | 0 | 0 | 0 | 112.2 | K158 | K158-P160 CarbonylContact O-C 3.47Š|
| 161 | P | 97.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -69.7 | 146.5 | -172.9 | 28.3 | -34.5 | 0 | 0 | 0 | 112.1 | Q32 S156 K158 V164 | Q32-P161 HydrophobicContact CG-CB 3.77Å; Q32-P161 HydrophobicContact CG-CG 4.28Å; S156-P161 WeakPolarHBondContact O-CA 3.49Å; K158-P161 VanDerWaalsContact O-CA 3.26Å; K158-P161 WeakPolarHBondContact O-CA 3.2Å; P161-V164 HydrophobicContact CB-CG2 3.93Å |
| 162 | M | 98.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 35% | 0.345 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -116.7 | 125.8 | 177.4 | -167 | -176.7 | 90.2 | 0 | 0 | 110.8 | V128 E154 T155 S156 V164 | V128-M162 HydrophobicContact CG2-CE 3.33Å; V128-M162 HydrophobicContact CG2-SD 4.21Å; E154-M162 HydrophobicContact CB-CE 3.79Å; E154-M162 VanDerWaalsContact O-CE 3.25Å; E154-M162 WeakPolarHBondContact O-CE 3.34Å; T155-M162 VanDerWaalsContact CA-O 3.28Å; T155-M162 WeakPolarHBondContact CA-O 3.42Å; T155-M162 WeakPolarHBondContact CB-O 3.47Å; S156-M162 PolarHBondContact N-O 3.29Å; S156-M162 PolarHBondContact O-N 2.95Å; M162-V164 PolarHBondContact O-N 3.25Å |
| 163 | N | 98.5 | Very high | 97.9 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 55.5 | 13.2 | 171.9 | -67.3 | -36.7 | 0 | 0 | 0 | 116.9 | I153 E154 T155 K166 A167 | I153-N163 HydrophobicContact CG2-CB 3.82Å; E154-N163 VanDerWaalsContact O-CB 3.24Å; E154-N163 WeakPolarHBondContact O-CB 3.29Å; E154-N163 PolarHBondContact O-ND2 3.35Å; T155-N163 HydrophobicContact CG2-CB 4.04Å; N163-K166 HydrophobicContact CB-CB 4.19Å; N163-K166 HydrophobicContact CB-CD 4.45Å; N163-K166 WeakPolarHBondContact O-CB 3.27Å; N163-K166 PolarHBondContact O-N 2.86Å; N163-A167 PolarHBondContact O-N 3.43Å |
| 164 | V | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -57 | -180 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | L29 Q32 F33 S156 P161 M162 K166 A167 F168 | L29-V164 HydrophobicContact CD2-CG1 4.42Å; L29-V164 HydrophobicContact CD2-CG2 3.84Å; L29-V164 WeakPolarHBondContact O-CG1 3.23Å; Q32-V164 HydrophobicContact CB-CG1 4.24Å; Q32-V164 HydrophobicContact CG-CB 4.38Å; Q32-V164 HydrophobicContact CG-CG1 4.16Å; Q32-V164 HydrophobicContact CG-CG2 3.96Å; F33-V164 HydrophobicContact CB-CG1 3.83Å; S156-V164 WeakPolarHBondContact O-CG2 3.36Å; P161-V164 HydrophobicContact CB-CG2 3.93Å; M162-V164 PolarHBondContact O-N 3.25Å; V164-K166 VanDerWaalsContact C-N 3.25Å; V164-K166 PolarHBondContact O-N 2.81Å; V164-A167 PolarHBondContact O-N 3.12Å; V164-F168 HydrophobicContact CG1-CD2 4.49Å; V164-F168 HydrophobicContact CG1-CE2 4.3Å; V164-F168 WeakPolarHBondContact O-CD2 3.44Å; V164-F168 PolarHBondContact O-N 2.93Å |
| 165 | D | 97.5 | Very high | 97.7 | Very high | 59 Ų | 59 | 41 Ų | 41 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -37.5 | 177.3 | -70.3 | 11.1 | 0 | 0 | 0 | 112.1 | F33 K36 A167 F168 H169 | F33-D165 HydrophobicContact CD2-CB 4.44Å; F33-D165 VanDerWaalsContact CD2-OD1 3.28Å; F33-D165 WeakPolarHBondContact CD2-OD1 3.18Å; F33-D165 HydrophobicContact CE2-CB 4.38Å; K36-D165 IonicContact NZ-OD1 3.53Å; K36-D165 PolarHBondContact NZ-OD1 3.39Å; K36-D165 IonicContact NZ-OD2 3.98Å; K36-D165 PolarHBondContact NZ-OD2 3.09Å; D165-A167 VanDerWaalsContact C-N 3.33Å; D165-A167 PolarHBondContact O-N 2.75Å; D165-F168 PolarHBondContact O-N 3.42Å; D165-H169 WeakPolarHBondContact O-CB 3.39Å; D165-H169 PolarHBondContact O-CD2 2.8Å; D165-H169 PolarHBondContact O-N 3.16Å |
| 166 | K | 98.3 | Very high | 97.5 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 48% | 0.478 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 178.5 | -172.7 | -176.2 | 177.7 | -177.3 | 0 | 111.2 | I153 N163 V164 E170 | I153-K166 HydrophobicContact CD1-CG 4.29Å; N163-K166 HydrophobicContact CB-CB 4.19Å; N163-K166 HydrophobicContact CB-CD 4.45Å; N163-K166 WeakPolarHBondContact O-CB 3.27Å; N163-K166 PolarHBondContact O-N 2.86Å; V164-K166 VanDerWaalsContact C-N 3.25Å; V164-K166 PolarHBondContact O-N 2.81Å; K166-E170 WeakPolarHBondContact O-CB 3.22Å; K166-E170 PolarHBondContact O-N 3.24Å |
| 167 | A | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -48.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V124 I153 T155 N163 V164 D165 E170 L171 | V124-A167 HydrophobicContact CG2-CB 4.28Å; I153-A167 HydrophobicContact CD1-CB 4.45Å; I153-A167 HydrophobicContact CG2-CB 4.39Å; T155-A167 HydrophobicContact CG2-CB 4.18Å; N163-A167 PolarHBondContact O-N 3.43Å; V164-A167 PolarHBondContact O-N 3.12Å; D165-A167 VanDerWaalsContact C-N 3.33Å; D165-A167 PolarHBondContact O-N 2.75Å; A167-E170 PolarHBondContact O-N 3.27Å; A167-L171 PolarHBondContact O-N 3.05Å; A167-L171 VanDerWaalsContact O-N 3.16Å |
| 168 | F | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.2 | -72.8 | -84.7 | 0 | 0 | 0 | 112.3 | L16 V18 F33 V65 L89 V164 D165 L171 V172 | L16-F168 HydrophobicContact CD1-CD1 4.1Å; V18-F168 HydrophobicContact CG2-CE1 4.02Å; V18-F168 HydrophobicContact CG2-CZ 4.21Å; F33-F168 HydrophobicContact CB-CD2 3.76Å; F33-F168 HydrophobicContact CB-CE2 3.61Å; F33-F168 HydrophobicContact CB-CZ 4.29Å; F33-F168 HydrophobicContact CD1-CB 4.38Å; F33-F168 HydrophobicContact CD1-CD1 4.15Å; F33-F168 AromaticContact CD1-CD2 3.95Å; F33-F168 HydrophobicContact CD1-CD2 3.95Å; F33-F168 HydrophobicContact CD1-CE1 4.45Å; F33-F168 HydrophobicContact CD1-CE2 4.27Å; F33-F168 AromaticContact CD1-CG 3.9Å; F33-F168 HydrophobicContact CD1-CG 3.9Å; F33-F168 HydrophobicContact CD2-CB 4.09Å; F33-F168 AromaticContact CD2-CD2 3.69Å; F33-F168 HydrophobicContact CD2-CD2 3.69Å; F33-F168 HydrophobicContact CD2-CE2 4.42Å; F33-F168 HydrophobicContact CD2-CG 4.05Å; F33-F168 HydrophobicContact CE1-CB 4.09Å; F33-F168 HydrophobicContact CE1-CD1 4.31Å; F33-F168 HydrophobicContact CE1-CG 4.06Å; F33-F168 HydrophobicContact CE2-CB 3.79Å; F33-F168 HydrophobicContact CE2-CD2 4.28Å; F33-F168 HydrophobicContact CE2-CG 4.21Å; F33-F168 HydrophobicContact CG-CB 4.39Å; F33-F168 AromaticContact CG-CD2 3.51Å; F33-F168 HydrophobicContact CG-CD2 3.51Å; F33-F168 AromaticContact CG-CE2 3.86Å; F33-F168 HydrophobicContact CG-CE2 3.86Å; F33-F168 AromaticContact CG-CG 3.9Å; F33-F168 HydrophobicContact CG-CG 3.9Å; F33-F168 HydrophobicContact CZ-CB 3.79Å; F33-F168 HydrophobicContact CZ-CG 4.22Å; V65-F168 HydrophobicContact CG1-CE1 3.73Å; V65-F168 HydrophobicContact CG2-CD1 4.35Å; V65-F168 HydrophobicContact CG2-CE1 4.3Å; L89-F168 HydrophobicContact CD1-CD1 3.73Å; L89-F168 HydrophobicContact CD1-CD2 4.3Å; L89-F168 HydrophobicContact CD1-CE1 3.51Å; L89-F168 HydrophobicContact CD1-CE2 4.1Å; L89-F168 HydrophobicContact CD1-CG 4.12Å; L89-F168 HydrophobicContact CD1-CZ 3.72Å; V164-F168 HydrophobicContact CG1-CD2 4.49Å; V164-F168 HydrophobicContact CG1-CE2 4.3Å; V164-F168 WeakPolarHBondContact O-CD2 3.44Å; V164-F168 PolarHBondContact O-N 2.93Å; D165-F168 PolarHBondContact O-N 3.42Å; F168-L171 PolarHBondContact O-N 3.34Å; F168-V172 PolarHBondContact O-N 3.34Å |
| 169 | H | 98.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 178 | -66.5 | 177.2 | 0 | 0 | 0 | 112 | F33 I56 D165 V172 R173 | F33-H169 AromaticContact CE2-NE2 3.81Å; I56-H169 HydrophobicContact CG2-CB 4.06Å; D165-H169 WeakPolarHBondContact O-CB 3.39Å; D165-H169 PolarHBondContact O-CD2 2.8Å; D165-H169 PolarHBondContact O-N 3.16Å; H169-V172 WeakPolarHBondContact O-CB 3.25Å; H169-V172 PolarHBondContact O-N 3.37Å; H169-R173 WeakPolarHBondContact O-CG 3.23Å; H169-R173 PolarHBondContact O-N 3.21Å |
| 170 | E | 98.5 | Very high | 92.9 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.2 | -171.2 | 61.5 | -162.4 | 0 | 0 | 111.7 | V122 T151 I153 K166 A167 V172 R173 V174 | V122-E170 HydrophobicContact CG2-CG 4.32Å; T151-E170 HydrophobicContact CG2-CG 3.97Å; I153-E170 HydrophobicContact CD1-CB 3.75Å; I153-E170 HydrophobicContact CD1-CG 3.96Å; K166-E170 WeakPolarHBondContact O-CB 3.22Å; K166-E170 PolarHBondContact O-N 3.24Å; A167-E170 PolarHBondContact O-N 3.27Å; E170-V172 VanDerWaalsContact C-N 3.26Å; E170-V172 PolarHBondContact O-N 3.19Å; E170-R173 WeakPolarHBondContact O-CA 3.44Å; E170-R173 WeakPolarHBondContact O-CB 3.3Å; E170-R173 PolarHBondContact O-N 3.32Å; E170-R173 WeakPolarHBondContact OE2-CD 3.35Å; E170-R173 IonicContact OE2-CZ 3.68Å; E170-R173 IonicContact OE2-NH1 3.71Å; E170-R173 PolarHBondContact OE2-NH1 2.98Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 2.98Å |
| 171 | L | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 175 | -178.7 | 59.7 | 0 | 0 | 0 | 111.6 | L16 L89 P120 V122 A167 F168 R173 V174 I175 | L16-L171 HydrophobicContact CB-CD2 4.09Å; L16-L171 HydrophobicContact CD1-CD2 4.35Å; L16-L171 HydrophobicContact CD2-CD2 3.83Å; L16-L171 HydrophobicContact CD2-CG 4.1Å; L16-L171 HydrophobicContact CG-CD2 4.3Å; L89-L171 HydrophobicContact CD2-CB 3.97Å; L89-L171 HydrophobicContact CD2-CD2 3.82Å; L89-L171 HydrophobicContact CD2-CG 4.42Å; L89-L171 HydrophobicContact CG-CD2 3.85Å; P120-L171 HydrophobicContact CB-CD1 4.33Å; V122-L171 HydrophobicContact CG2-CB 4.02Å; V122-L171 HydrophobicContact CG2-CD1 4.12Å; A167-L171 PolarHBondContact O-N 3.05Å; A167-L171 VanDerWaalsContact O-N 3.16Å; F168-L171 PolarHBondContact O-N 3.34Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.96Å; L171-V174 PolarHBondContact O-N 3.09Å; L171-I175 HydrophobicContact CG-CD1 4.24Å; L171-I175 VanDerWaalsContact O-CG1 3.28Å; L171-I175 WeakPolarHBondContact O-CG1 3.25Å; L171-I175 PolarHBondContact O-N 3.32Å |
| 172 | V | 98.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | Y14 L16 I56 L63 F168 H169 E170 I175 R176 | Y14-V172 HydrophobicContact CD2-CG1 3.7Å; Y14-V172 HydrophobicContact CD2-CG2 4.19Å; Y14-V172 HydrophobicContact CE2-CG1 3.53Å; Y14-V172 HydrophobicContact CG-CG1 4.43Å; L16-V172 HydrophobicContact CD1-CG2 4.12Å; L16-V172 HydrophobicContact CD2-CG2 4.38Å; I56-V172 HydrophobicContact CD1-CB 3.82Å; I56-V172 HydrophobicContact CD1-CG1 3.8Å; I56-V172 HydrophobicContact CD1-CG2 3.71Å; L63-V172 HydrophobicContact CD2-CG2 3.59Å; F168-V172 PolarHBondContact O-N 3.34Å; H169-V172 WeakPolarHBondContact O-CB 3.25Å; H169-V172 PolarHBondContact O-N 3.37Å; E170-V172 VanDerWaalsContact C-N 3.26Å; E170-V172 PolarHBondContact O-N 3.19Å; V172-I175 PolarHBondContact O-N 3.09Å; V172-R176 HydrophobicContact CG1-CG 4.37Å; V172-R176 WeakPolarHBondContact O-CB 3.44Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.35Å; V172-R176 PolarHBondContact O-N 3.05Å |
| 173 | R | 97.8 | Very high | 86.5 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 25% | 0.249 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.5 | -67.6 | 175.8 | -171.7 | 125.6 | 2.9 | 111.6 | D57 H169 E170 L171 I175 R176 Q177 | D57-R173 IonicContact OD1-CZ 3.91Å; D57-R173 IonicContact OD1-NE 3.64Å; D57-R173 PolarHBondContact OD1-NE 2.98Å; D57-R173 IonicContact OD1-NH2 2.71Å; D57-R173 PolarHBondContact OD1-NH2 3.01Å; D57-R173 WeakPolarHBondContact OD2-CD 3.4Å; D57-R173 WeakPolarHBondContact OD2-CG 3.46Å; D57-R173 IonicContact OD2-CZ 2.67Å; D57-R173 IonicContact OD2-NE 3.83Å; D57-R173 PolarHBondContact OD2-NE 3.08Å; D57-R173 IonicContact OD2-NH2 3.4Å; H169-R173 WeakPolarHBondContact O-CG 3.23Å; H169-R173 PolarHBondContact O-N 3.21Å; E170-R173 WeakPolarHBondContact O-CA 3.44Å; E170-R173 WeakPolarHBondContact O-CB 3.3Å; E170-R173 PolarHBondContact O-N 3.32Å; E170-R173 WeakPolarHBondContact OE2-CD 3.35Å; E170-R173 IonicContact OE2-CZ 3.68Å; E170-R173 IonicContact OE2-NH1 3.71Å; E170-R173 PolarHBondContact OE2-NH1 2.98Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.96Å; R173-I175 VanDerWaalsContact C-N 3.33Å; R173-I175 PolarHBondContact O-N 3.45Å; R173-R176 PolarHBondContact O-N 2.7Å; R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.4Å; R173-Q177 PolarHBondContact O-N 3.01Å |
| 174 | V | 97.4 | Very high | 84.3 | Confident | 20 Ų | 20 | 59 Ų | 59 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | P120 V122 E170 L171 R176 Q177 Q178 | P120-V174 HydrophobicContact CB-CG1 3.87Å; V122-V174 HydrophobicContact CG2-CG2 4.45Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 2.98Å; L171-V174 PolarHBondContact O-N 3.09Å; V174-R176 PolarHBondContact O-N 3.05Å; V174-Q177 PolarHBondContact O-N 3.45Å; V174-Q178 PolarHBondContact O-N 3.23Å |
| 175 | I | 96.8 | Very high | 82.2 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 174.8 | -66.4 | 165.5 | 0 | 0 | 0 | 110.5 | Y14 L16 D86 P120 L171 V172 R173 Q177 Q178 V179 | Y14-I175 HydrophobicContact CD1-CG2 3.73Å; Y14-I175 HydrophobicContact CE1-CG2 3.85Å; L16-I175 HydrophobicContact CD2-CD1 3.44Å; L16-I175 VanDerWaalsContact CD2-CD1 3.44Å; D86-I175 HydrophobicContact CB-CD1 4.02Å; D86-I175 HydrophobicContact CB-CG2 4.42Å; P120-I175 HydrophobicContact CB-CB 4.5Å; P120-I175 HydrophobicContact CB-CG1 3.59Å; P120-I175 HydrophobicContact CG-CG1 3.99Å; L171-I175 HydrophobicContact CG-CD1 4.24Å; L171-I175 VanDerWaalsContact O-CG1 3.28Å; L171-I175 WeakPolarHBondContact O-CG1 3.25Å; L171-I175 PolarHBondContact O-N 3.32Å; V172-I175 PolarHBondContact O-N 3.09Å; R173-I175 VanDerWaalsContact C-N 3.33Å; R173-I175 PolarHBondContact O-N 3.45Å; I175-Q177 PolarHBondContact O-N 3.28Å; I175-Q178 PolarHBondContact O-N 3.28Å; I175-V179 WeakPolarHBondContact O-CG2 3.1Å; I175-V179 PolarHBondContact O-N 3.2Å |
| 176 | R | 95.1 | Very high | 80.2 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 15% | 0.151 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.3 | -32.8 | -179.8 | -75.5 | 172 | 175.5 | 178.5 | -1.8 | 112.9 | Y14 I56 Q59 V172 R173 V174 Q178 P180 | Y14-R176 WeakPolarHBondContact OH-CG 3.36Å; Y14-R176 PolarHBondContact OH-NE 3.18Å; Y14-R176 VanDerWaalsContact OH-NE 3.17Å; I56-R176 PolarHBondContact O-NH1 3.04Å; Q59-R176 PolarHBondContact O-NH2 2.96Å; Q59-R176 VanDerWaalsContact O-NH2 3.08Å; V172-R176 HydrophobicContact CG1-CG 4.37Å; V172-R176 WeakPolarHBondContact O-CB 3.44Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.35Å; V172-R176 PolarHBondContact O-N 3.05Å; R173-R176 PolarHBondContact O-N 2.7Å; V174-R176 PolarHBondContact O-N 3.05Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; R176-Q178 PolarHBondContact O-N 3.24Å; R176-P180 WeakPolarHBondContact O-CD 3.31Å |
| 177 | Q | 91 | Very high | 78.2 | Confident | 141 Ų | 141 | 70.6 Ų | 70.6 | 66% | 0.659 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.4 | -22.3 | 177.3 | -70.9 | 169.7 | 10.8 | 0 | 0 | 113.7 | R173 V174 I175 P180 | R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.4Å; R173-Q177 PolarHBondContact O-N 3.01Å; V174-Q177 PolarHBondContact O-N 3.45Å; I175-Q177 PolarHBondContact O-N 3.28Å; Q177-P180 VanDerWaalsContact C-CD 3.46Å; Q177-P180 WeakPolarHBondContact O-CD 3.25Å |
| 178 | Q | 80.6 | Confident | 76.3 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -90.3 | -22.9 | 177.9 | -65.6 | -164.1 | 3.5 | 0 | 0 | 114.2 | P120 V174 I175 R176 E181 | P120-Q178 HydrophobicContact CG-CG 4.19Å; P120-Q178 VanDerWaalsContact CG-OE1 3.25Å; V174-Q178 PolarHBondContact O-N 3.23Å; I175-Q178 PolarHBondContact O-N 3.28Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; R176-Q178 PolarHBondContact O-N 3.24Å; Q178-E181 PolarHBondContact O-N 3.3Å |
| 179 | V | 63.8 | Low | 74.7 | Confident | 63 Ų | 63 | 84.6 Ų | 84.6 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59 | -29.2 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 115.4 | I175 E181 R182 N183 | I175-V179 WeakPolarHBondContact O-CG2 3.1Å; I175-V179 PolarHBondContact O-N 3.2Å; V179-E181 PolarHBondContact O-N 3.03Å; V179-R182 PolarHBondContact O-N 3.24Å; V179-N183 PolarHBondContact O-N 3.01Å |
| 180 | P | 54.2 | Low | 73.1 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.5 | -38.4 | 178.9 | -24.9 | 34.4 | 0 | 0 | 0 | 112.9 | R176 Q177 Q184 | R176-P180 WeakPolarHBondContact O-CD 3.31Å; Q177-P180 VanDerWaalsContact C-CD 3.46Å; Q177-P180 WeakPolarHBondContact O-CD 3.25Å; P180-Q184 WeakPolarHBondContact O-CB 3.31Å; P180-Q184 VanDerWaalsContact O-CG 3.25Å; P180-Q184 WeakPolarHBondContact O-CG 3.04Å; P180-Q184 PolarHBondContact O-N 3.02Å; P180-Q184 VanDerWaalsContact O-N 3.12Å |
| 181 | E | 49.8 | Very low | 71.6 | Confident | 123 Ų | 123 | 94.3 Ų | 94.3 | 58% | 0.575 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.5 | -38.5 | -179.3 | -69.2 | -158.6 | 167.5 | 0 | 0 | 113.5 | Q178 V179 Q184 K185 | Q178-E181 PolarHBondContact O-N 3.3Å; V179-E181 PolarHBondContact O-N 3.03Å; E181-Q184 PolarHBondContact O-N 2.86Å; E181-K185 WeakPolarHBondContact O-CB 3.42Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 2.96Å; E181-K185 IonicContact OE2-NZ 3.49Å |
| 182 | R | 53.5 | Low | 70.3 | Confident | 173 Ų | 173 | 100.5 Ų | 100.5 | 65% | 0.653 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.4 | -38.3 | -177.1 | -161 | 176.6 | -177.5 | -167.7 | 1.3 | 111.1 | V179 K186 | V179-R182 PolarHBondContact O-N 3.24Å; R182-K186 WeakPolarHBondContact O-CB 2.87Å; R182-K186 WeakPolarHBondContact O-CG 3.27Å; R182-K186 PolarHBondContact O-N 2.82Å |
| 183 | N | 54.4 | Low | 68.9 | Low | 88 Ų | 88 | 108.9 Ų | 108.9 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.7 | -34.1 | 175.3 | -86.7 | -9.3 | 0 | 0 | 0 | 112.6 | V179 K187 | V179-N183 PolarHBondContact O-N 3.01Å; N183-K187 VanDerWaalsContact O-CB 3.32Å; N183-K187 WeakPolarHBondContact O-CB 3.43Å; N183-K187 VanDerWaalsContact O-CG 3.31Å; N183-K187 WeakPolarHBondContact O-CG 3.47Å; N183-K187 PolarHBondContact O-N 2.58Å |
| 184 | Q | 52.5 | Low | 67.4 | Low | 118 Ų | 118 | 108.1 Ų | 108.1 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.2 | -43.7 | 172.6 | -74.7 | -179.9 | 26 | 0 | 0 | 112.5 | P180 E181 K187 K188 | P180-Q184 WeakPolarHBondContact O-CB 3.31Å; P180-Q184 VanDerWaalsContact O-CG 3.25Å; P180-Q184 WeakPolarHBondContact O-CG 3.04Å; P180-Q184 PolarHBondContact O-N 3.02Å; P180-Q184 VanDerWaalsContact O-N 3.12Å; E181-Q184 PolarHBondContact O-N 2.86Å; Q184-K187 PolarHBondContact O-N 2.84Å; Q184-K188 WeakPolarHBondContact O-CB 3.13Å; Q184-K188 WeakPolarHBondContact O-CG 3.24Å; Q184-K188 PolarHBondContact O-N 2.67Å |
| 185 | K | 53.3 | Low | 66 | Low | 139 Ų | 139 | 112.2 Ų | 112.2 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 176 | -73.9 | 172.5 | -179.5 | 162.5 | 0 | 111.8 | E181 K189 | E181-K185 WeakPolarHBondContact O-CB 3.42Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 2.96Å; E181-K185 IonicContact OE2-NZ 3.49Å; K185-K189 WeakPolarHBondContact O-CB 3.13Å; K185-K189 PolarHBondContact O-N 3.25Å |
| 186 | K | 55.4 | Low | 64.5 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 173.5 | -80 | -175.8 | 177.4 | -177.8 | 0 | 112.4 | R182 K189 M190 | R182-K186 WeakPolarHBondContact O-CB 2.87Å; R182-K186 WeakPolarHBondContact O-CG 3.27Å; R182-K186 PolarHBondContact O-N 2.82Å; K186-K189 PolarHBondContact O-N 3.23Å; K186-M190 WeakPolarHBondContact O-CB 3.3Å; K186-M190 PolarHBondContact O-N 3.11Å |
| 187 | K | 55.6 | Low | 62.8 | Low | 159 Ų | 159 | 121.8 Ų | 121.8 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.5 | -44 | 176 | -78.6 | -178.1 | 175.8 | -176.7 | 0 | 112 | N183 Q184 M190 K191 | N183-K187 VanDerWaalsContact O-CB 3.32Å; N183-K187 WeakPolarHBondContact O-CB 3.43Å; N183-K187 VanDerWaalsContact O-CG 3.31Å; N183-K187 WeakPolarHBondContact O-CG 3.47Å; N183-K187 PolarHBondContact O-N 2.58Å; Q184-K187 PolarHBondContact O-N 2.84Å; K187-M190 PolarHBondContact O-N 3.2Å; K187-K191 VanDerWaalsContact O-CB 3.27Å; K187-K191 WeakPolarHBondContact O-CB 3.25Å; K187-K191 PolarHBondContact O-N 3.33Å |
| 188 | K | 59.1 | Low | 61.4 | Low | 154 Ų | 154 | 120.7 Ų | 120.7 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.2 | -43.4 | 174.5 | -79.3 | -176.3 | 175.9 | 179.6 | 0 | 112.1 | Q184 K191 W192 | Q184-K188 WeakPolarHBondContact O-CB 3.13Å; Q184-K188 WeakPolarHBondContact O-CG 3.24Å; Q184-K188 PolarHBondContact O-N 2.67Å; K188-K191 PolarHBondContact O-N 3.28Å; K188-W192 WeakPolarHBondContact O-CB 3.45Å; K188-W192 PolarHBondContact O-N 3.4Å |
| 189 | K | 64.7 | Low | 60 | Low | 144 Ų | 144 | 119.5 Ų | 119.5 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.8 | -37.1 | 179 | -163.7 | 174.8 | -176 | 176.9 | 0 | 112.8 | K185 K186 R193 | K185-K189 WeakPolarHBondContact O-CB 3.13Å; K185-K189 PolarHBondContact O-N 3.25Å; K186-K189 PolarHBondContact O-N 3.23Å; K189-R193 WeakPolarHBondContact O-CG 3.41Å; K189-R193 PolarHBondContact O-N 2.96Å; K189-R193 VanDerWaalsContact O-N 3.14Å |
| 190 | M | 64.8 | Low | 59.4 | Low | 139 Ų | 139 | 121.3 Ų | 121.3 | 69% | 0.685 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.4 | -44.6 | 172.6 | -79.8 | 177.9 | 64.7 | 0 | 0 | 111.8 | K186 K187 R193 A194 | K186-M190 WeakPolarHBondContact O-CB 3.3Å; K186-M190 PolarHBondContact O-N 3.11Å; K187-M190 PolarHBondContact O-N 3.2Å; M190-R193 PolarHBondContact O-N 3.48Å; M190-A194 WeakPolarHBondContact O-CB 3.32Å; M190-A194 PolarHBondContact O-N 3.46Å |
| 191 | K | 68.1 | Low | 59 | Low | 136 Ų | 136 | 126.3 Ų | 126.3 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.6 | -47 | 177.3 | -175.4 | 173.8 | 174.7 | 177.9 | 0 | 111.6 | K187 K188 R193 A194 E195 | K187-K191 VanDerWaalsContact O-CB 3.27Å; K187-K191 WeakPolarHBondContact O-CB 3.25Å; K187-K191 PolarHBondContact O-N 3.33Å; K188-K191 PolarHBondContact O-N 3.28Å; K191-R193 VanDerWaalsContact C-N 3.32Å; K191-R193 PolarHBondContact O-N 3.29Å; K191-A194 PolarHBondContact O-N 3.32Å; K191-E195 WeakPolarHBondContact CE-OE1 3.5Å; K191-E195 WeakPolarHBondContact CG-OE1 3.5Å; K191-E195 WeakPolarHBondContact O-CB 3.28Å; K191-E195 VanDerWaalsContact O-CG 3.31Å; K191-E195 WeakPolarHBondContact O-CG 3.44Å; K191-E195 PolarHBondContact O-N 3.42Å |
| 192 | W | 70.1 | Confident | 59 | Low | 130 Ų | 130 | 130.4 Ų | 130.4 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.5 | -35.5 | 175.4 | 179.7 | 93.4 | 0 | 0 | 0 | 113.6 | K188 R196 | K188-W192 WeakPolarHBondContact O-CB 3.45Å; K188-W192 PolarHBondContact O-N 3.4Å; W192-R196 VanDerWaalsContact CZ2-NH1 3.26Å; W192-R196 WeakPolarHBondContact O-CG 3.3Å; W192-R196 PolarHBondContact O-N 3.49Å |
| 193 | R | 69.1 | Low | 58.4 | Low | 176 Ų | 176 | 132 Ų | 132 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70 | -42.2 | 174.5 | -84.3 | -178.1 | 144.2 | -177.8 | -7.7 | 111.8 | K189 M190 K191 R196 S197 | K189-R193 WeakPolarHBondContact O-CG 3.41Å; K189-R193 PolarHBondContact O-N 2.96Å; K189-R193 VanDerWaalsContact O-N 3.14Å; M190-R193 PolarHBondContact O-N 3.48Å; K191-R193 VanDerWaalsContact C-N 3.32Å; K191-R193 PolarHBondContact O-N 3.29Å; R193-R196 PolarHBondContact O-N 2.96Å; R193-S197 PolarHBondContact O-N 3.08Å; R193-S197 PolarHBondContact O-OG 2.65Å |
| 194 | A | 67.3 | Low | 57.7 | Low | 51 Ų | 51 | 134.9 Ų | 134.9 | 42% | 0.421 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.3 | -42.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | M190 K191 R196 S197 T198 | M190-A194 WeakPolarHBondContact O-CB 3.32Å; M190-A194 PolarHBondContact O-N 3.46Å; K191-A194 PolarHBondContact O-N 3.32Å; A194-R196 VanDerWaalsContact C-N 3.28Å; A194-R196 PolarHBondContact O-N 2.74Å; A194-S197 WeakPolarHBondContact CA-OG 3.04Å; A194-S197 PolarHBondContact O-N 3.41Å; A194-S197 PolarHBondContact O-OG 2.94Å; A194-T198 PolarHBondContact O-N 3.32Å; A194-T198 PolarHBondContact O-OG1 2.81Å; A194-T198 VanDerWaalsContact O-OG1 3.12Å |
| 195 | E | 67.6 | Low | 57 | Low | 106 Ų | 106 | 134.9 Ų | 134.9 | 50% | 0.495 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.7 | -32 | 178.2 | -73.6 | 167 | 176.4 | 0 | 0 | 112.7 | K191 T198 G199 | K191-E195 WeakPolarHBondContact CE-OE1 3.5Å; K191-E195 WeakPolarHBondContact CG-OE1 3.5Å; K191-E195 WeakPolarHBondContact O-CB 3.28Å; K191-E195 VanDerWaalsContact O-CG 3.31Å; K191-E195 WeakPolarHBondContact O-CG 3.44Å; K191-E195 PolarHBondContact O-N 3.42Å; E195-T198 PolarHBondContact O-OG1 2.71Å; E195-G199 PolarHBondContact O-N 3.49Å |
| 196 | R | 65.4 | Low | 56.4 | Low | 160 Ų | 160 | 132.6 Ų | 132.6 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.9 | -31.6 | 175.3 | -72.6 | 178.5 | -177.8 | -145.6 | -10.5 | 113.9 | W192 R193 A194 T198 | W192-R196 VanDerWaalsContact CZ2-NH1 3.26Å; W192-R196 WeakPolarHBondContact O-CG 3.3Å; W192-R196 PolarHBondContact O-N 3.49Å; R193-R196 PolarHBondContact O-N 2.96Å; A194-R196 VanDerWaalsContact C-N 3.28Å; A194-R196 PolarHBondContact O-N 2.74Å; R196-T198 VanDerWaalsContact C-N 3.32Å |
| 197 | S | 59.5 | Low | 55.8 | Low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.2 | -25.5 | 175.7 | 46.3 | 0 | 0 | 0 | 0 | 113 | R193 A194 | R193-S197 PolarHBondContact O-N 3.08Å; R193-S197 PolarHBondContact O-OG 2.65Å; A194-S197 WeakPolarHBondContact CA-OG 3.04Å; A194-S197 PolarHBondContact O-N 3.41Å; A194-S197 PolarHBondContact O-OG 2.94Å |
| 198 | T | 60.8 | Low | 55.3 | Low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -90.2 | -17.4 | 176.1 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | A194 E195 R196 S200 | A194-T198 PolarHBondContact O-N 3.32Å; A194-T198 PolarHBondContact O-OG1 2.81Å; A194-T198 VanDerWaalsContact O-OG1 3.12Å; E195-T198 PolarHBondContact O-OG1 2.71Å; R196-T198 VanDerWaalsContact C-N 3.32Å; T198-S200 VanDerWaalsContact C-N 3.31Å; T198-S200 PolarHBondContact O-N 3.21Å |
| 199 | G | 51.7 | Low | 55.1 | Low | 57 Ų | 57 | 137.2 Ų | 137.2 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | -85.8 | 49.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E195 H201 | E195-G199 PolarHBondContact O-N 3.49Å; G199-H201 VanDerWaalsContact C-N 3.27Å; G199-H201 PolarHBondContact O-N 2.72Å | ||
| 200 | S | 49.8 | Very low | 54.6 | Low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | -86.5 | 75.4 | 160.3 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | T198 | T198-S200 VanDerWaalsContact C-N 3.31Å; T198-S200 PolarHBondContact O-N 3.21Å | ||
| 201 | H | 47.6 | Very low | 54 | Low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | trans | -96.3 | 108.8 | 154.9 | -85.4 | 2 | 0 | 0 | 0 | 107.3 | G199 F203 | G199-H201 VanDerWaalsContact C-N 3.27Å; G199-H201 PolarHBondContact O-N 2.72Å; H201-F203 PolarHBondContact O-N 3.18Å | ||
| 202 | R | 49.3 | Very low | 53.2 | Low | 208 Ų | 208 | 136.8 Ų | 136.8 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -39.2 | 106.6 | 166.5 | -74 | 173 | 157 | -167.5 | -7.3 | 109.5 | H204 | R202-H204 PolarHBondContact O-N 3.16Š| ||
| 203 | F | 40.9 | Very low | 52.2 | Low | 207 Ų | 207 | 137.2 Ų | 137.2 | 91% | 0.908 | 73% | 0.725 | S | S | * | * | trans | -70 | 93.9 | 151.1 | -79.1 | -84.8 | 0 | 0 | 0 | 106.1 | H201 C205 | H201-F203 PolarHBondContact O-N 3.18Å; F203-C205 PolarHBondContact O-N 2.91Å; F203-C205 VanDerWaalsContact O-N 3.17Å | ||
| 204 | H | 38.5 | Very low | 51 | Low | 149 Ų | 149 | 134.6 Ų | 134.6 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | -63.7 | 110.4 | 160.4 | -109.6 | 87 | 0 | 0 | 0 | 106.6 | R202 A206 | R202-H204 PolarHBondContact O-N 3.16Å; H204-A206 PolarHBondContact O-N 3.19Å; H204-A206 VanDerWaalsContact O-N 3.08Å | ||
| 205 | C | 39.6 | Very low | 49.9 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -63.8 | 100.5 | 158.6 | -172.1 | 0 | 0 | 0 | 0 | 106.5 | F203 | F203-C205 PolarHBondContact O-N 2.91Å; F203-C205 VanDerWaalsContact O-N 3.17Å | ||
| 206 | A | 39.3 | Very low | 48.5 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -88.4 | 115.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | H204 L208 | H204-A206 PolarHBondContact O-N 3.19Å; H204-A206 VanDerWaalsContact O-N 3.08Å; A206-L208 PolarHBondContact O-N 2.95Å | ||
| 207 | I | 43.2 | Very low | 47.1 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -56.6 | 125.6 | 165.7 | -64.8 | 162.4 | 0 | 0 | 0 | 108.1 | ||||
| 208 | L | 45 | Very low | 46 | Very low | 238 Ų | 238 | 146.4 Ų | 146.4 | 100% | 1.246 | 80% | 0.797 | S | S | * | * | trans | -149.8 | 0 | 135.3 | -86.9 | 179.6 | 0 | 0 | 0 | 108.3 | A206 | A206-L208 PolarHBondContact O-N 2.95Š|
Retrieved 208 of 208 residues in 45.7 ms
(Link to these results)