| 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 | 98.3 | Very high | 98.6 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | 0 | 150.9 | 0 | 72.5 | 125 | -54.4 | 0 | 0 | 109.9 | T3 Y26 T28 L59 F70 L80 I82 L83 I84 L121 | M1-T3 HydrophobicContact CE-CG2 3.46Å; M1-T3 VanDerWaalsContact CE-CG2 3.46Å; M1-T3 HydrophobicContact SD-CG2 4.49Å; M1-Y26 WeakPolarHBondContact CA-O 3.44Å; M1-T28 HydrophobicContact CE-CG2 3.9Å; M1-L59 HydrophobicContact CE-CD2 4.29Å; M1-F70 HydrophobicContact CB-CZ 4.18Å; M1-F70 HydrophobicContact CE-CE1 4.33Å; M1-F70 HydrophobicContact CE-CZ 4.37Å; M1-F70 HydrophobicContact CG-CE1 4.36Å; M1-F70 HydrophobicContact CG-CZ 4.31Å; M1-F70 HydrophobicContact SD-CD1 4.42Å; M1-F70 HydrophobicContact SD-CE1 3.32Å; M1-F70 WeakPolarHBondContact SD-CE1 3.38Å; M1-F70 HydrophobicContact SD-CZ 3.65Å; M1-L80 HydrophobicContact CB-CD2 4.15Å; M1-L80 HydrophobicContact CG-CD1 4.19Å; M1-L80 HydrophobicContact CG-CD2 3.96Å; M1-I82 PolarHBondContact N-O 3.36Å; M1-L83 HydrophobicContact CE-CD1 4.24Å; M1-L83 HydrophobicContact CG-CD1 3.67Å; M1-L83 HydrophobicContact SD-CD1 3.39Å; M1-L83 WeakPolarHBondContact SD-CD1 3.25Å; M1-I84 PolarHBondContact O-N 3.35Å; M1-L121 HydrophobicContact SD-CD1 3.97Å | |||
| 2 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -129.4 | 121.3 | 179.2 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | I13 V14 L17 Y26 T28 I84 N86 | V2-I13 HydrophobicContact CG1-CB 4.28Å; V2-I13 HydrophobicContact CG1-CG2 4.12Å; V2-I13 HydrophobicContact CG2-CB 4.46Å; V2-I13 HydrophobicContact CG2-CG2 3.67Å; V2-V14 HydrophobicContact CB-CG2 3.74Å; V2-V14 HydrophobicContact CG1-CG2 4.3Å; V2-V14 HydrophobicContact CG2-CG2 3.75Å; V2-L17 HydrophobicContact CG2-CD1 3.59Å; V2-Y26 PolarHBondContact N-O 2.96Å; V2-T28 PolarHBondContact O-N 2.94Å; V2-T28 VanDerWaalsContact O-N 3.16Å; V2-T28 PolarHBondContact O-OG1 3.36Å; V2-T28 VanDerWaalsContact O-OG1 3.12Å; V2-I84 WeakPolarHBondContact CA-O 3.45Å; V2-I84 HydrophobicContact CG1-CB 4.46Å; V2-I84 HydrophobicContact CG2-CB 4.32Å; V2-I84 HydrophobicContact CG2-CD1 4.36Å; V2-N86 HydrophobicContact CG1-CB 4.1Å |
| 3 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 138.3 | 175.2 | 66.8 | 0 | 0 | 0 | 0 | 110.9 | M1 G5 T28 L59 I61 I84 N85 N86 A87 V117 | M1-T3 HydrophobicContact CE-CG2 3.46Å; M1-T3 VanDerWaalsContact CE-CG2 3.46Å; M1-T3 HydrophobicContact SD-CG2 4.49Å; T3-G5 VanDerWaalsContact C-N 3.28Å; T3-G5 PolarHBondContact O-N 2.98Å; T3-T28 WeakPolarHBondContact CA-OG1 3.32Å; T3-L59 HydrophobicContact CG2-CD2 3.92Å; T3-I61 HydrophobicContact CG2-CG2 4Å; T3-I84 PolarHBondContact N-O 3.12Å; T3-N85 WeakPolarHBondContact OG1-CA 3.34Å; T3-N86 WeakPolarHBondContact O-CB 3.46Å; T3-N86 PolarHBondContact O-ND2 2.87Å; T3-N86 PolarHBondContact OG1-N 3.47Å; T3-A87 PolarHBondContact O-N 3.36Å; T3-A87 WeakPolarHBondContact OG1-CB 3.14Å; T3-A87 PolarHBondContact OG1-N 2.94Å; T3-V117 HydrophobicContact CG2-CG1 4.48Å |
| 4 | G | 98.5 | Very high | 98.7 | Very high | 19 Ų | 19 | 18.1 Ų | 18.1 | 20% | 0.196 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 36.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N6 T28 N86 | G4-N6 VanDerWaalsContact C-N 3.27Å; G4-N6 PolarHBondContact O-N 3.25Å; G4-T28 CarbonylContact C-O 3.56Å; G4-T28 WeakPolarHBondContact CA-O 3.23Å; G4-T28 PolarHBondContact N-O 3.37Å; G4-N86 PolarHBondContact O-ND2 3.03Å |
| 5 | G | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T3 Y11 L27 T28 | T3-G5 VanDerWaalsContact C-N 3.28Å; T3-G5 PolarHBondContact O-N 2.98Å; G5-Y11 WeakPolarHBondContact O-CA 3.34Å; G5-Y11 PolarHBondContact O-N 3.11Å; G5-L27 VanDerWaalsContact O-CD1 3.27Å; G5-L27 WeakPolarHBondContact O-CD1 3.28Å; G5-T28 PolarHBondContact N-O 3.12Å |
| 6 | N | 98.5 | Very high | 98.7 | Very high | 34 Ų | 34 | 17.8 Ų | 17.8 | 18% | 0.182 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.8 | -174.9 | 70.9 | -69.2 | 0 | 0 | 0 | 114.7 | G4 L27 A29 A38 | G4-N6 VanDerWaalsContact C-N 3.27Å; G4-N6 PolarHBondContact O-N 3.25Å; N6-L27 HydrophobicContact CB-CD2 4.17Å; N6-A29 HydrophobicContact CB-CB 3.72Å; N6-A29 VanDerWaalsContact OD1-CB 3.27Å; N6-A29 WeakPolarHBondContact OD1-CB 3.3Å; N6-A38 HydrophobicContact CB-CB 3.99Å |
| 7 | K | 98.3 | Very high | 98.7 | Very high | 113 Ų | 113 | 16.9 Ų | 16.9 | 49% | 0.491 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -156.3 | 170.3 | 178.8 | 66.4 | 177.3 | -173.7 | 172.7 | 0 | 112.9 | G10 Y11 D228 | K7-G10 PolarHBondContact O-N 3.15Å; K7-Y11 PolarHBondContact O-N 3.24Å; K7-D228 IonicContact NZ-OD2 3.49Å; K7-D228 PolarHBondContact NZ-OD2 3.4Å |
| 8 | G | 98.3 | Very high | 98.7 | Very high | 22 Ų | 22 | 16.1 Ų | 16.1 | 23% | 0.227 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | 57.9 | -139.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G10 Y11 A12 | G8-G10 VanDerWaalsContact C-N 3.31Å; G8-G10 PolarHBondContact O-N 2.76Å; G8-Y11 WeakPolarHBondContact O-CB 3.44Å; G8-Y11 PolarHBondContact O-N 3.36Å; G8-A12 PolarHBondContact O-N 2.97Å |
| 9 | I | 98.7 | Very high | 98.7 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 13% | 0.128 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.5 | -62.4 | 155.8 | 0 | 0 | 0 | 111 | Y11 A12 I13 P222 V225 T227 | I9-Y11 VanDerWaalsContact C-N 3.3Å; I9-Y11 PolarHBondContact O-N 3.24Å; I9-A12 PolarHBondContact O-N 3.04Å; I9-A12 VanDerWaalsContact O-N 3.12Å; I9-I13 HydrophobicContact CG2-CD1 3.7Å; I9-I13 HydrophobicContact CG2-CG1 4.09Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.41Å; I9-P222 HydrophobicContact CD1-CB 3.69Å; I9-P222 HydrophobicContact CD1-CG 3.6Å; I9-P222 HydrophobicContact CG1-CB 4.39Å; I9-P222 HydrophobicContact CG2-CB 4.22Å; I9-V225 HydrophobicContact CD1-CB 4.03Å; I9-V225 HydrophobicContact CD1-CG1 4.41Å; I9-V225 HydrophobicContact CD1-CG2 3.86Å; I9-V225 HydrophobicContact CG1-CB 4.1Å; I9-V225 HydrophobicContact CG1-CG1 3.92Å; I9-V225 HydrophobicContact CG1-CG2 4.03Å; I9-T227 HydrophobicContact CG1-CG2 4.36Å |
| 10 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.1 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K7 G8 I13 V14 N86 | K7-G10 PolarHBondContact O-N 3.15Å; G8-G10 VanDerWaalsContact C-N 3.31Å; G8-G10 PolarHBondContact O-N 2.76Å; G10-I13 PolarHBondContact O-N 2.75Å; G10-V14 WeakPolarHBondContact O-CG2 3.36Å; G10-V14 PolarHBondContact O-N 3.1Å; G10-N86 VanDerWaalsContact CA-ND2 3.28Å; G10-N86 WeakPolarHBondContact CA-ND2 3.45Å; G10-N86 PolarHBondContact N-OD1 3.17Å |
| 11 | Y | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 24 Ų | 24 | 10% | 0.098 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 174.8 | -177.8 | -92.9 | 0 | 0 | 0 | 112.1 | G5 K7 G8 I9 I13 V14 R15 A38 S41 V42 E45 I238 | G5-Y11 WeakPolarHBondContact O-CA 3.34Å; G5-Y11 PolarHBondContact O-N 3.11Å; K7-Y11 PolarHBondContact O-N 3.24Å; G8-Y11 WeakPolarHBondContact O-CB 3.44Å; G8-Y11 PolarHBondContact O-N 3.36Å; I9-Y11 VanDerWaalsContact C-N 3.3Å; I9-Y11 PolarHBondContact O-N 3.24Å; Y11-I13 VanDerWaalsContact C-N 3.3Å; Y11-I13 PolarHBondContact O-N 2.89Å; Y11-V14 PolarHBondContact O-N 3.3Å; Y11-R15 WeakPolarHBondContact O-CB 3.48Å; Y11-R15 PolarHBondContact O-N 3.48Å; Y11-A38 HydrophobicContact CD2-CB 4.02Å; Y11-A38 HydrophobicContact CE2-CB 4Å; Y11-S41 WeakPolarHBondContact OH-CB 3.4Å; Y11-V42 HydrophobicContact CD2-CG2 4.12Å; Y11-V42 HydrophobicContact CE1-CG2 4.32Å; Y11-V42 HydrophobicContact CE2-CG2 3.44Å; Y11-V42 VanDerWaalsContact CE2-CG2 3.44Å; Y11-V42 PolarHBondContact OH-N 3.4Å; Y11-E45 PolarHBondContact OH-OE1 3.36Å; Y11-E45 PolarHBondContact OH-OE2 2.95Å; Y11-I238 HydrophobicContact CD1-CD1 4.27Å |
| 12 | A | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 5% | 0.05 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.3 | -33.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G8 I9 G16 I238 A242 | G8-A12 PolarHBondContact O-N 2.97Å; I9-A12 PolarHBondContact O-N 3.04Å; I9-A12 VanDerWaalsContact O-N 3.12Å; A12-G16 PolarHBondContact O-N 3.01Å; A12-I238 HydrophobicContact CB-CB 3.89Å; A12-I238 HydrophobicContact CB-CD1 4.07Å; A12-I238 HydrophobicContact CB-CG1 3.9Å; A12-I238 WeakPolarHBondContact CB-O 3.47Å; A12-A242 HydrophobicContact CB-CB 3.68Å |
| 13 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 171.6 | -64.9 | 167.4 | 0 | 0 | 0 | 110.1 | V2 I9 G10 Y11 R15 G16 L17 I84 N86 V134 A242 P245 L246 | V2-I13 HydrophobicContact CG1-CB 4.28Å; V2-I13 HydrophobicContact CG1-CG2 4.12Å; V2-I13 HydrophobicContact CG2-CB 4.46Å; V2-I13 HydrophobicContact CG2-CG2 3.67Å; I9-I13 HydrophobicContact CG2-CD1 3.7Å; I9-I13 HydrophobicContact CG2-CG1 4.09Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.41Å; G10-I13 PolarHBondContact O-N 2.75Å; Y11-I13 VanDerWaalsContact C-N 3.3Å; Y11-I13 PolarHBondContact O-N 2.89Å; I13-R15 VanDerWaalsContact C-N 3.35Å; I13-R15 PolarHBondContact O-N 3.07Å; I13-G16 PolarHBondContact O-N 3.21Å; I13-L17 HydrophobicContact CG2-CD1 4.27Å; I13-L17 HydrophobicContact CG2-CG 4.42Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.33Å; I13-I84 HydrophobicContact CD1-CG2 4.09Å; I13-I84 HydrophobicContact CG2-CD1 3.43Å; I13-I84 VanDerWaalsContact CG2-CD1 3.43Å; I13-I84 HydrophobicContact CG2-CG2 4.34Å; I13-N86 HydrophobicContact CD1-CB 4.33Å; I13-V134 HydrophobicContact CD1-CG2 4.38Å; I13-A242 HydrophobicContact CG1-CB 3.68Å; I13-P245 HydrophobicContact CD1-CB 3.68Å; I13-P245 HydrophobicContact CD1-CG 3.89Å; I13-P245 HydrophobicContact CG1-CB 4.1Å; I13-P245 HydrophobicContact CG1-CG 4.43Å; I13-L246 HydrophobicContact CG2-CD2 4.05Å; I13-L246 HydrophobicContact CG2-CG 4.32Å |
| 14 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 177.2 | 170 | 0 | 0 | 0 | 0 | 110.8 | V2 G10 Y11 G16 L17 C18 V25 L27 V42 L54 | V2-V14 HydrophobicContact CB-CG2 3.74Å; V2-V14 HydrophobicContact CG1-CG2 4.3Å; V2-V14 HydrophobicContact CG2-CG2 3.75Å; G10-V14 WeakPolarHBondContact O-CG2 3.36Å; G10-V14 PolarHBondContact O-N 3.1Å; Y11-V14 PolarHBondContact O-N 3.3Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.1Å; V14-L17 WeakPolarHBondContact O-CB 3.45Å; V14-L17 PolarHBondContact O-N 3.39Å; V14-L17 VanDerWaalsContact O-N 3.15Å; V14-C18 PolarHBondContact O-N 2.88Å; V14-C18 PolarHBondContact O-SG 3.48Å; V14-C18 VanDerWaalsContact O-SG 3.37Å; V14-V25 HydrophobicContact CG1-CG1 4.04Å; V14-L27 HydrophobicContact CB-CD1 4.44Å; V14-L27 HydrophobicContact CG1-CB 4.17Å; V14-L27 HydrophobicContact CG1-CD1 4.07Å; V14-L27 HydrophobicContact CG2-CB 4.04Å; V14-L27 HydrophobicContact CG2-CD1 4.25Å; V14-L27 HydrophobicContact CG2-CG 4.06Å; V14-V42 HydrophobicContact CG1-CG2 4.38Å; V14-L54 HydrophobicContact CG1-CD1 3.53Å; V14-L54 HydrophobicContact CG1-CD2 4.26Å |
| 15 | R | 98.7 | Very high | 98.5 | Very high | 28 Ų | 28 | 33.2 Ų | 33.2 | 11% | 0.106 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.7 | -49 | 177.7 | -174.1 | -178.1 | 171.4 | -69.2 | -15.2 | 111.4 | Y11 I13 L17 C18 E19 V42 E45 V46 | Y11-R15 WeakPolarHBondContact O-CB 3.48Å; Y11-R15 PolarHBondContact O-N 3.48Å; I13-R15 VanDerWaalsContact C-N 3.35Å; I13-R15 PolarHBondContact O-N 3.07Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.49Å; R15-C18 WeakPolarHBondContact O-CB 3.45Å; R15-C18 PolarHBondContact O-N 3.32Å; R15-C18 VanDerWaalsContact O-N 3.13Å; R15-E19 IonicContact CZ-OE1 2.76Å; R15-E19 IonicContact NE-OE1 3.83Å; R15-E19 IonicContact NH1-OE1 3.64Å; R15-E19 PolarHBondContact NH1-OE1 3.43Å; R15-E19 IonicContact NH1-OE2 3.1Å; R15-E19 PolarHBondContact NH1-OE2 2.92Å; R15-E19 IonicContact NH2-OE1 2.69Å; R15-E19 PolarHBondContact NH2-OE1 3.06Å; R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 3.4Å; R15-V42 HydrophobicContact CB-CG1 4.42Å; R15-V42 HydrophobicContact CB-CG2 4.47Å; R15-E45 WeakPolarHBondContact CD-OE2 3.42Å; R15-E45 IonicContact NE-OE2 3.14Å; R15-E45 PolarHBondContact NE-OE2 3.35Å; R15-V46 HydrophobicContact CG-CG2 3.66Å |
| 16 | G | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.3 | -19.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A12 I13 V14 R20 | A12-G16 PolarHBondContact O-N 3.01Å; I13-G16 PolarHBondContact O-N 3.21Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.1Å; G16-R20 PolarHBondContact O-NE 3.27Å; G16-R20 PolarHBondContact O-NH2 3.38Å |
| 17 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.4 | -44.4 | 165 | -74.1 | 175.3 | 0 | 0 | 0 | 110.2 | V2 I13 V14 R15 E19 R20 F21 V25 I82 I84 L246 L250 | V2-L17 HydrophobicContact CG2-CD1 3.59Å; I13-L17 HydrophobicContact CG2-CD1 4.27Å; I13-L17 HydrophobicContact CG2-CG 4.42Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.33Å; V14-L17 WeakPolarHBondContact O-CB 3.45Å; V14-L17 PolarHBondContact O-N 3.39Å; V14-L17 VanDerWaalsContact O-N 3.15Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.49Å; L17-E19 PolarHBondContact O-N 3Å; L17-R20 PolarHBondContact O-N 3.38Å; L17-F21 HydrophobicContact CB-CB 4.49Å; L17-F21 HydrophobicContact CD2-CB 4.26Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.41Å; L17-F21 PolarHBondContact O-N 2.96Å; L17-V25 HydrophobicContact CB-CG1 4.1Å; L17-V25 HydrophobicContact CB-CG2 3.86Å; L17-V25 HydrophobicContact CD1-CG1 4.17Å; L17-I82 HydrophobicContact CD2-CD1 4.41Å; L17-I84 HydrophobicContact CD1-CD1 4.13Å; L17-L246 HydrophobicContact CD2-CD2 3.75Å; L17-L246 HydrophobicContact CG-CD2 3.69Å; L17-L250 HydrophobicContact CD2-CD1 4.25Å; L17-L250 HydrophobicContact CD2-CD2 3.98Å; L17-L250 HydrophobicContact CD2-CG 4.25Å |
| 18 | C | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -35.2 | 176.4 | -68.9 | 0 | 0 | 0 | 0 | 112.8 | V14 R15 V42 V46 P49 K50 C51 | V14-C18 PolarHBondContact O-N 2.88Å; V14-C18 PolarHBondContact O-SG 3.48Å; V14-C18 VanDerWaalsContact O-SG 3.37Å; R15-C18 WeakPolarHBondContact O-CB 3.45Å; R15-C18 PolarHBondContact O-N 3.32Å; R15-C18 VanDerWaalsContact O-N 3.13Å; C18-V42 HydrophobicContact CB-CG1 4.28Å; C18-V46 HydrophobicContact CB-CG1 4.39Å; C18-V46 HydrophobicContact CB-CG2 4.33Å; C18-P49 CarbonylContact O-C 3.32Å; C18-P49 WeakPolarHBondContact O-CA 3.46Å; C18-K50 PolarHBondContact O-N 3.38Å; C18-C51 VanDerWaalsContact CA-SG 3.56Å; C18-C51 PolarHBondContact O-N 3.15Å; C18-C51 VanDerWaalsContact O-N 3.12Å |
| 19 | E | 98.5 | Very high | 98.6 | Very high | 63 Ų | 63 | 25.8 Ų | 25.8 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.3 | 177.2 | -70.5 | 170.9 | 151.9 | 0 | 0 | 114.3 | R15 L17 V46 K50 | R15-E19 IonicContact CZ-OE1 2.76Å; R15-E19 IonicContact NE-OE1 3.83Å; R15-E19 IonicContact NH1-OE1 3.64Å; R15-E19 PolarHBondContact NH1-OE1 3.43Å; R15-E19 IonicContact NH1-OE2 3.1Å; R15-E19 PolarHBondContact NH1-OE2 2.92Å; R15-E19 IonicContact NH2-OE1 2.69Å; R15-E19 PolarHBondContact NH2-OE1 3.06Å; R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 3.4Å; L17-E19 PolarHBondContact O-N 3Å; E19-V46 HydrophobicContact CG-CG1 3.9Å; E19-V46 HydrophobicContact CG-CG2 4.21Å; E19-K50 WeakPolarHBondContact O-CD 3.1Å; E19-K50 VanDerWaalsContact O-CG 3.31Å; E19-K50 WeakPolarHBondContact O-CG 3.34Å |
| 20 | R | 98.3 | Very high | 98.6 | Very high | 112 Ų | 112 | 31.7 Ų | 31.7 | 42% | 0.423 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -32.1 | -165.3 | -71.8 | -178.7 | -70.3 | -178.2 | -12.6 | 116.3 | G16 L17 L246 L250 | G16-R20 PolarHBondContact O-NE 3.27Å; G16-R20 PolarHBondContact O-NH2 3.38Å; L17-R20 PolarHBondContact O-N 3.38Å; R20-L246 VanDerWaalsContact NH2-CG 3.3Å; R20-L250 HydrophobicContact CB-CD1 3.8Å |
| 21 | F | 98.2 | Very high | 98.5 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 18% | 0.18 | 17% | 0.165 | C | C | . | . | trans | -88.9 | 123.5 | -174.1 | -177.7 | -114.9 | 0 | 0 | 0 | 110.5 | L17 G23 V25 K50 C51 D81 I82 L250 | L17-F21 HydrophobicContact CB-CB 4.49Å; L17-F21 HydrophobicContact CD2-CB 4.26Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.41Å; L17-F21 PolarHBondContact O-N 2.96Å; F21-G23 PolarHBondContact O-N 3.49Å; F21-V25 HydrophobicContact CD1-CG2 4.18Å; F21-K50 CarbonylContact O-C 3.52Å; F21-C51 WeakPolarHBondContact O-CA 3.4Å; F21-C51 PolarHBondContact O-N 3Å; F21-C51 VanDerWaalsContact O-N 3.12Å; F21-D81 HydrophobicContact CZ-CB 4.2Å; F21-I82 HydrophobicContact CD2-CD1 3.64Å; F21-I82 HydrophobicContact CE2-CD1 3.57Å; F21-I82 HydrophobicContact CE2-CG1 4.35Å; F21-I82 HydrophobicContact CG-CD1 4.3Å; F21-I82 HydrophobicContact CZ-CD1 4.16Å; F21-L250 HydrophobicContact CB-CD2 4.03Å; F21-L250 HydrophobicContact CD2-CD2 3.84Å; F21-L250 HydrophobicContact CG-CD2 4.33Å | ||
| 22 | D | 97.1 | Very high | 98.5 | Very high | 140 Ų | 140 | 36.8 Ų | 36.8 | 75% | 0.749 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -85 | 81.9 | 173.6 | -175.3 | 12.6 | 0 | 0 | 0 | 110.3 | ||
| 23 | G | 97.5 | Very high | 98.5 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 177 | -169.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F21 C51 A52 | F21-G23 PolarHBondContact O-N 3.49Å; G23-C51 CarbonylContact O-C 3.6Å; G23-C51 VanDerWaalsContact O-CA 3.31Å; G23-C51 WeakPolarHBondContact O-CA 3.47Å; G23-C51 VanDerWaalsContact O-CB 3.24Å; G23-C51 WeakPolarHBondContact O-CB 3.42Å; G23-A52 PolarHBondContact O-N 2.9Å |
| 24 | I | 98.5 | Very high | 98.5 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 32% | 0.323 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.1 | 179 | -59 | 170.3 | 0 | 0 | 0 | 109.6 | Y26 R55 | I24-Y26 HydrophobicContact CB-CE2 4.4Å; I24-Y26 HydrophobicContact CG2-CD2 4.05Å; I24-Y26 HydrophobicContact CG2-CE2 3.59Å; I24-R55 HydrophobicContact CG2-CG 4.18Å |
| 25 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.3 | 173.9 | -178.1 | 0 | 0 | 0 | 0 | 109 | V14 L17 F21 C51 A53 L54 R55 | V14-V25 HydrophobicContact CG1-CG1 4.04Å; L17-V25 HydrophobicContact CB-CG1 4.1Å; L17-V25 HydrophobicContact CB-CG2 3.86Å; L17-V25 HydrophobicContact CD1-CG1 4.17Å; F21-V25 HydrophobicContact CD1-CG2 4.18Å; V25-C51 HydrophobicContact CG2-CB 3.72Å; V25-A53 PolarHBondContact N-O 3.39Å; V25-L54 HydrophobicContact CB-CD1 4.07Å; V25-L54 HydrophobicContact CG1-CD1 3.88Å; V25-L54 WeakPolarHBondContact O-CA 3.27Å; V25-R55 PolarHBondContact O-N 2.9Å |
| 26 | Y | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.5 | 170.9 | -72.7 | -84.2 | 0 | 0 | 0 | 110.3 | M1 V2 I24 R55 H57 F70 H73 I74 | M1-Y26 WeakPolarHBondContact CA-O 3.44Å; V2-Y26 PolarHBondContact N-O 2.96Å; I24-Y26 HydrophobicContact CB-CE2 4.4Å; I24-Y26 HydrophobicContact CG2-CD2 4.05Å; I24-Y26 HydrophobicContact CG2-CE2 3.59Å; Y26-R55 WeakPolarHBondContact CA-O 3.43Å; Y26-R55 HydrophobicContact CD1-CB 3.79Å; Y26-R55 HydrophobicContact CE1-CB 3.71Å; Y26-R55 HydrophobicContact CE1-CG 4.36Å; Y26-R55 PolarHBondContact OH-NH1 3.42Å; Y26-H57 HydrophobicContact CD1-CB 4.49Å; Y26-F70 HydrophobicContact CD1-CE2 4.5Å; Y26-H73 AromaticContact CE1-CD2 3.8Å; Y26-H73 AromaticContact CE1-NE2 3.25Å; Y26-H73 VanDerWaalsContact CE1-NE2 3.25Å; Y26-H73 WeakPolarHBondContact CE1-NE2 3.45Å; Y26-H73 AromaticContact CZ-NE2 3.62Å; Y26-H73 PolarHBondContact OH-NE2 2.85Å; Y26-I74 HydrophobicContact CD2-CD1 3.92Å; Y26-I74 HydrophobicContact CE2-CD1 3.77Å; Y26-I74 HydrophobicContact CG-CD1 4.4Å |
| 27 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.4 | 163.4 | -175.7 | 158.8 | 0 | 0 | 0 | 107.6 | G5 N6 V14 A38 V39 L54 R55 F56 H57 | G5-L27 VanDerWaalsContact O-CD1 3.27Å; G5-L27 WeakPolarHBondContact O-CD1 3.28Å; N6-L27 HydrophobicContact CB-CD2 4.17Å; V14-L27 HydrophobicContact CB-CD1 4.44Å; V14-L27 HydrophobicContact CG1-CB 4.17Å; V14-L27 HydrophobicContact CG1-CD1 4.07Å; V14-L27 HydrophobicContact CG2-CB 4.04Å; V14-L27 HydrophobicContact CG2-CD1 4.25Å; V14-L27 HydrophobicContact CG2-CG 4.06Å; L27-A38 HydrophobicContact CD1-CB 3.74Å; L27-V39 HydrophobicContact CB-CG2 4.03Å; L27-V39 HydrophobicContact CD1-CG2 4.08Å; L27-V39 HydrophobicContact CD2-CG2 4.5Å; L27-V39 HydrophobicContact CG-CG2 4.43Å; L27-L54 HydrophobicContact CB-CD1 4.12Å; L27-R55 PolarHBondContact N-O 3.15Å; L27-F56 HydrophobicContact CD2-CD2 3.82Å; L27-F56 HydrophobicContact CD2-CE2 4.25Å; L27-F56 WeakPolarHBondContact O-CA 3.47Å; L27-F56 WeakPolarHBondContact O-CD2 3.4Å; L27-H57 PolarHBondContact O-N 3.04Å |
| 28 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.9 | 175.7 | 77.9 | 0 | 0 | 0 | 0 | 112.4 | M1 V2 T3 G4 G5 H57 L59 F70 | M1-T28 HydrophobicContact CE-CG2 3.9Å; V2-T28 PolarHBondContact O-N 2.94Å; V2-T28 VanDerWaalsContact O-N 3.16Å; V2-T28 PolarHBondContact O-OG1 3.36Å; V2-T28 VanDerWaalsContact O-OG1 3.12Å; T3-T28 WeakPolarHBondContact CA-OG1 3.32Å; G4-T28 CarbonylContact C-O 3.56Å; G4-T28 WeakPolarHBondContact CA-O 3.23Å; G4-T28 PolarHBondContact N-O 3.37Å; G5-T28 PolarHBondContact N-O 3.12Å; T28-H57 VanDerWaalsContact CA-O 3.23Å; T28-H57 WeakPolarHBondContact CA-O 3.4Å; T28-H57 VanDerWaalsContact CB-O 3.28Å; T28-H57 WeakPolarHBondContact CB-O 3.38Å; T28-L59 HydrophobicContact CG2-CB 4.29Å; T28-L59 HydrophobicContact CG2-CD2 4.43Å; T28-F70 HydrophobicContact CG2-CD2 4.43Å; T28-F70 HydrophobicContact CG2-CE2 3.78Å; T28-F70 HydrophobicContact CG2-CZ 3.9Å |
| 29 | A | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N6 F56 Q58 L59 | N6-A29 HydrophobicContact CB-CB 3.72Å; N6-A29 VanDerWaalsContact OD1-CB 3.27Å; N6-A29 WeakPolarHBondContact OD1-CB 3.3Å; A29-F56 HydrophobicContact CB-CE2 4.16Å; A29-Q58 WeakPolarHBondContact O-CA 3.31Å; A29-L59 CarbonylContact C-O 3.54Å; A29-L59 VanDerWaalsContact C-O 3.25Å; A29-L59 PolarHBondContact O-N 2.81Å |
| 30 | R | 98.1 | Very high | 98.5 | Very high | 150 Ų | 150 | 57.1 Ų | 57.1 | 57% | 0.566 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -68.3 | -49.1 | 177 | -65.9 | -178.8 | -71 | 174.5 | -0.9 | 111.9 | L59 D60 | R30-L59 PolarHBondContact N-O 3.12Å; R30-D60 VanDerWaalsContact CD-CG 3.48Å; R30-D60 WeakPolarHBondContact CD-OD2 3.42Å; R30-D60 HydrophobicContact CG-CB 3.74Å; R30-D60 WeakPolarHBondContact CG-OD2 3.35Å |
| 31 | N | 98.4 | Very high | 98.5 | Very high | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -86.3 | 118.1 | -179.2 | -178 | -55.8 | 0 | 0 | 0 | 109.9 | E33 L34 G35 | N31-E33 WeakPolarHBondContact OD1-CB 3.31Å; N31-E33 PolarHBondContact OD1-N 2.86Å; N31-L34 HydrophobicContact CB-CB 4.18Å; N31-L34 HydrophobicContact CB-CD1 4.06Å; N31-L34 HydrophobicContact CB-CG 4.21Å; N31-L34 PolarHBondContact OD1-N 3.02Å; N31-G35 PolarHBondContact O-N 3.45Å |
| 32 | V | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | -177.2 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | G35 K36 F56 Q58 | V32-G35 PolarHBondContact O-N 3.18Å; V32-K36 HydrophobicContact CG1-CD 4.04Å; V32-K36 HydrophobicContact CG1-CG 4.47Å; V32-K36 WeakPolarHBondContact O-CB 3.4Å; V32-K36 WeakPolarHBondContact O-CG 3.24Å; V32-K36 PolarHBondContact O-N 2.89Å; V32-F56 HydrophobicContact CB-CE1 4.19Å; V32-F56 HydrophobicContact CB-CZ 4.45Å; V32-F56 HydrophobicContact CG1-CE1 3.92Å; V32-F56 HydrophobicContact CG2-CE1 4.19Å; V32-F56 HydrophobicContact CG2-CZ 4.4Å; V32-Q58 HydrophobicContact CG2-CB 3.98Å; V32-Q58 HydrophobicContact CG2-CG 3.82Å |
| 33 | E | 98.7 | Very high | 98.6 | Very high | 155 Ų | 155 | 49.8 Ų | 49.8 | 72% | 0.724 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.5 | -49.6 | -177.5 | -62.1 | 177.4 | 166.6 | 0 | 0 | 110.7 | N31 G35 K36 A37 | N31-E33 WeakPolarHBondContact OD1-CB 3.31Å; N31-E33 PolarHBondContact OD1-N 2.86Å; E33-G35 VanDerWaalsContact C-N 3.29Å; E33-G35 PolarHBondContact O-N 2.84Å; E33-K36 PolarHBondContact O-N 3.18Å; E33-A37 WeakPolarHBondContact O-CB 3.48Å; E33-A37 PolarHBondContact O-N 3.44Å |
| 34 | L | 98.5 | Very high | 98.6 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 176.8 | -64.7 | -179.7 | 0 | 0 | 0 | 112 | N31 A38 | N31-L34 HydrophobicContact CB-CB 4.18Å; N31-L34 HydrophobicContact CB-CD1 4.06Å; N31-L34 HydrophobicContact CB-CG 4.21Å; N31-L34 PolarHBondContact OD1-N 3.02Å; L34-A38 WeakPolarHBondContact O-CB 3.05Å; L34-A38 PolarHBondContact O-N 3.47Å |
| 35 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N31 V32 E33 A38 V39 F56 | N31-G35 PolarHBondContact O-N 3.45Å; V32-G35 PolarHBondContact O-N 3.18Å; E33-G35 VanDerWaalsContact C-N 3.29Å; E33-G35 PolarHBondContact O-N 2.84Å; G35-A38 PolarHBondContact O-N 3.48Å; G35-V39 PolarHBondContact O-N 3.38Å; G35-F56 VanDerWaalsContact CA-CE2 3.48Å |
| 36 | K | 98.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 175.2 | -73.3 | 178 | 177.3 | 179.9 | 0 | 111.9 | V32 E33 A38 V39 N40 F56 | V32-K36 HydrophobicContact CG1-CD 4.04Å; V32-K36 HydrophobicContact CG1-CG 4.47Å; V32-K36 WeakPolarHBondContact O-CB 3.4Å; V32-K36 WeakPolarHBondContact O-CG 3.24Å; V32-K36 PolarHBondContact O-N 2.89Å; E33-K36 PolarHBondContact O-N 3.18Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-A38 PolarHBondContact O-N 3.34Å; K36-V39 PolarHBondContact O-N 2.94Å; K36-N40 PolarHBondContact O-N 3.5Å; K36-F56 HydrophobicContact CG-CD1 3.82Å; K36-F56 HydrophobicContact CG-CE1 4.39Å; K36-F56 HydrophobicContact CG-CG 4.22Å |
| 37 | A | 98.8 | Very high | 98.2 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E33 V39 N40 S41 | E33-A37 WeakPolarHBondContact O-CB 3.48Å; E33-A37 PolarHBondContact O-N 3.44Å; A37-V39 PolarHBondContact O-N 2.8Å; A37-N40 WeakPolarHBondContact O-CB 3.39Å; A37-N40 PolarHBondContact O-N 3.22Å; A37-N40 VanDerWaalsContact O-N 3.15Å; A37-S41 PolarHBondContact O-N 3.16Å; A37-S41 PolarHBondContact O-OG 2.9Å |
| 38 | A | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N6 Y11 L27 L34 G35 K36 N40 S41 V42 | N6-A38 HydrophobicContact CB-CB 3.99Å; Y11-A38 HydrophobicContact CD2-CB 4.02Å; Y11-A38 HydrophobicContact CE2-CB 4Å; L27-A38 HydrophobicContact CD1-CB 3.74Å; L34-A38 WeakPolarHBondContact O-CB 3.05Å; L34-A38 PolarHBondContact O-N 3.47Å; G35-A38 PolarHBondContact O-N 3.48Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-A38 PolarHBondContact O-N 3.34Å; A38-N40 VanDerWaalsContact C-N 3.33Å; A38-N40 PolarHBondContact O-N 3.17Å; A38-S41 PolarHBondContact O-N 2.84Å; A38-V42 WeakPolarHBondContact O-CG2 3.31Å; A38-V42 PolarHBondContact O-N 3.04Å |
| 39 | V | 98.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 74.6 Ų | 74.6 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 173.1 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | L27 G35 K36 A37 S41 V42 N43 L54 F56 | L27-V39 HydrophobicContact CB-CG2 4.03Å; L27-V39 HydrophobicContact CD1-CG2 4.08Å; L27-V39 HydrophobicContact CD2-CG2 4.5Å; L27-V39 HydrophobicContact CG-CG2 4.43Å; G35-V39 PolarHBondContact O-N 3.38Å; K36-V39 PolarHBondContact O-N 2.94Å; A37-V39 PolarHBondContact O-N 2.8Å; V39-S41 VanDerWaalsContact C-N 3.35Å; V39-S41 PolarHBondContact O-N 3.29Å; V39-V42 PolarHBondContact O-N 2.95Å; V39-N43 WeakPolarHBondContact O-CB 3.47Å; V39-N43 PolarHBondContact O-N 3.5Å; V39-N43 PolarHBondContact O-ND2 3.24Å; V39-L54 HydrophobicContact CB-CD2 4.34Å; V39-L54 HydrophobicContact CG1-CD2 4.08Å; V39-L54 HydrophobicContact CG1-CG 4.04Å; V39-L54 HydrophobicContact CG2-CD2 4.24Å; V39-L54 HydrophobicContact CG2-CG 4.08Å; V39-F56 HydrophobicContact CG2-CB 3.83Å |
| 40 | N | 98.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 80.9 Ų | 80.9 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.1 | -67.6 | -20.7 | 0 | 0 | 0 | 111.7 | K36 A37 A38 N43 Q44 | K36-N40 PolarHBondContact O-N 3.5Å; A37-N40 WeakPolarHBondContact O-CB 3.39Å; A37-N40 PolarHBondContact O-N 3.22Å; A37-N40 VanDerWaalsContact O-N 3.15Å; A38-N40 VanDerWaalsContact C-N 3.33Å; A38-N40 PolarHBondContact O-N 3.17Å; N40-N43 PolarHBondContact O-N 2.98Å; N40-Q44 WeakPolarHBondContact O-CG 3.21Å; N40-Q44 PolarHBondContact O-N 3.23Å; N40-Q44 VanDerWaalsContact O-N 3.1Å |
| 41 | S | 98.7 | Very high | 97.9 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.7 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | Y11 A37 A38 V39 N43 Q44 E45 | Y11-S41 WeakPolarHBondContact OH-CB 3.4Å; A37-S41 PolarHBondContact O-N 3.16Å; A37-S41 PolarHBondContact O-OG 2.9Å; A38-S41 PolarHBondContact O-N 2.84Å; V39-S41 VanDerWaalsContact C-N 3.35Å; V39-S41 PolarHBondContact O-N 3.29Å; S41-N43 VanDerWaalsContact C-N 3.33Å; S41-N43 PolarHBondContact O-N 3.16Å; S41-Q44 PolarHBondContact O-N 3.49Å; S41-Q44 VanDerWaalsContact O-N 3.1Å; S41-E45 WeakPolarHBondContact O-CB 3.31Å; S41-E45 VanDerWaalsContact O-CG 3.3Å; S41-E45 WeakPolarHBondContact O-CG 3.28Å; S41-E45 PolarHBondContact O-N 2.91Å |
| 42 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.5 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | Y11 V14 R15 C18 A38 V39 Q44 E45 V46 L54 | Y11-V42 HydrophobicContact CD2-CG2 4.12Å; Y11-V42 HydrophobicContact CE1-CG2 4.32Å; Y11-V42 HydrophobicContact CE2-CG2 3.44Å; Y11-V42 VanDerWaalsContact CE2-CG2 3.44Å; Y11-V42 PolarHBondContact OH-N 3.4Å; V14-V42 HydrophobicContact CG1-CG2 4.38Å; R15-V42 HydrophobicContact CB-CG1 4.42Å; R15-V42 HydrophobicContact CB-CG2 4.47Å; C18-V42 HydrophobicContact CB-CG1 4.28Å; A38-V42 WeakPolarHBondContact O-CG2 3.31Å; A38-V42 PolarHBondContact O-N 3.04Å; V39-V42 PolarHBondContact O-N 2.95Å; V42-Q44 PolarHBondContact O-N 2.63Å; V42-E45 PolarHBondContact O-N 2.97Å; V42-V46 HydrophobicContact CG1-CG2 3.81Å; V42-V46 WeakPolarHBondContact O-CB 3.42Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 2.96Å; V42-L54 HydrophobicContact CB-CD2 3.53Å; V42-L54 HydrophobicContact CG1-CD2 3.51Å; V42-L54 HydrophobicContact CG2-CD2 4.3Å |
| 43 | N | 98 | Very high | 97.8 | Very high | 92 Ų | 92 | 73.3 Ų | 73.3 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.9 | -26.5 | 177.2 | -74.5 | -23.6 | 0 | 0 | 0 | 113.1 | V39 N40 S41 | V39-N43 WeakPolarHBondContact O-CB 3.47Å; V39-N43 PolarHBondContact O-N 3.5Å; V39-N43 PolarHBondContact O-ND2 3.24Å; N40-N43 PolarHBondContact O-N 2.98Å; S41-N43 VanDerWaalsContact C-N 3.33Å; S41-N43 PolarHBondContact O-N 3.16Å |
| 44 | Q | 97.8 | Very high | 97.8 | Very high | 160 Ų | 160 | 66.9 Ų | 66.9 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -83.9 | -33.3 | 174.2 | -70.1 | 172.2 | 4.8 | 0 | 0 | 112.3 | N40 S41 V42 | N40-Q44 WeakPolarHBondContact O-CG 3.21Å; N40-Q44 PolarHBondContact O-N 3.23Å; N40-Q44 VanDerWaalsContact O-N 3.1Å; S41-Q44 PolarHBondContact O-N 3.49Å; S41-Q44 VanDerWaalsContact O-N 3.1Å; V42-Q44 PolarHBondContact O-N 2.63Å |
| 45 | E | 97.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 66.6 Ų | 66.6 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -83.1 | -25.5 | -177 | -73.5 | 174.5 | -153.2 | 0 | 0 | 114.4 | Y11 R15 S41 V42 | Y11-E45 PolarHBondContact OH-OE1 3.36Å; Y11-E45 PolarHBondContact OH-OE2 2.95Å; R15-E45 WeakPolarHBondContact CD-OE2 3.42Å; R15-E45 IonicContact NE-OE2 3.14Å; R15-E45 PolarHBondContact NE-OE2 3.35Å; S41-E45 WeakPolarHBondContact O-CB 3.31Å; S41-E45 VanDerWaalsContact O-CG 3.3Å; S41-E45 WeakPolarHBondContact O-CG 3.28Å; S41-E45 PolarHBondContact O-N 2.91Å; V42-E45 PolarHBondContact O-N 2.97Å |
| 46 | V | 97.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | trans | -99.9 | 93.1 | -178.9 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | R15 C18 E19 V42 S48 P49 | R15-V46 HydrophobicContact CG-CG2 3.66Å; C18-V46 HydrophobicContact CB-CG1 4.39Å; C18-V46 HydrophobicContact CB-CG2 4.33Å; E19-V46 HydrophobicContact CG-CG1 3.9Å; E19-V46 HydrophobicContact CG-CG2 4.21Å; V42-V46 HydrophobicContact CG1-CG2 3.81Å; V42-V46 WeakPolarHBondContact O-CB 3.42Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 2.96Å; V46-S48 VanDerWaalsContact C-N 3.32Å; V46-S48 PolarHBondContact O-N 2.76Å; V46-P49 HydrophobicContact CG1-CB 3.94Å | ||
| 47 | E | 93.3 | Very high | 97.8 | Very high | 182 Ų | 182 | 65 Ų | 65 | 85% | 0.85 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -65.7 | -31 | -175.6 | -63.3 | 178.4 | -179.7 | 0 | 0 | 113.8 | ||
| 48 | S | 94.2 | Very high | 97.8 | Very high | 101 Ų | 101 | 64.8 Ų | 64.8 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -134.5 | 74.4 | -177.4 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | V46 K50 | V46-S48 VanDerWaalsContact C-N 3.32Å; V46-S48 PolarHBondContact O-N 2.76Å; S48-K50 PolarHBondContact O-N 2.75Å |
| 49 | P | 97.5 | Very high | 97.8 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | trans | -66.9 | 134 | -178.2 | 27.8 | -33.2 | 0 | 0 | 0 | 110.6 | C18 V46 | C18-P49 CarbonylContact O-C 3.32Å; C18-P49 WeakPolarHBondContact O-CA 3.46Å; V46-P49 HydrophobicContact CG1-CB 3.94Å | ||
| 50 | K | 98.1 | Very high | 97.8 | Very high | 134 Ų | 134 | 65.6 Ų | 65.6 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | trans | -85.7 | -22.3 | 166.7 | -68.1 | -164 | -171 | -176.2 | 0 | 112.3 | C18 E19 F21 S48 | C18-K50 PolarHBondContact O-N 3.38Å; E19-K50 WeakPolarHBondContact O-CD 3.1Å; E19-K50 VanDerWaalsContact O-CG 3.31Å; E19-K50 WeakPolarHBondContact O-CG 3.34Å; F21-K50 CarbonylContact O-C 3.52Å; S48-K50 PolarHBondContact O-N 2.75Å | ||
| 51 | C | 98.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -66.6 | 139.5 | 175.6 | 66 | 0 | 0 | 0 | 0 | 111.5 | C18 F21 G23 V25 A53 | C18-C51 VanDerWaalsContact CA-SG 3.56Å; C18-C51 PolarHBondContact O-N 3.15Å; C18-C51 VanDerWaalsContact O-N 3.12Å; F21-C51 WeakPolarHBondContact O-CA 3.4Å; F21-C51 PolarHBondContact O-N 3Å; F21-C51 VanDerWaalsContact O-N 3.12Å; G23-C51 CarbonylContact O-C 3.6Å; G23-C51 VanDerWaalsContact O-CA 3.31Å; G23-C51 WeakPolarHBondContact O-CA 3.47Å; G23-C51 VanDerWaalsContact O-CB 3.24Å; G23-C51 WeakPolarHBondContact O-CB 3.42Å; V25-C51 HydrophobicContact CG2-CB 3.72Å; C51-A53 PolarHBondContact O-N 3.43Å |
| 52 | A | 97.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -63.2 | -33.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G23 | G23-A52 PolarHBondContact O-N 2.9Š|
| 53 | A | 97.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 64.1 Ų | 64.1 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 147.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V25 C51 R55 | V25-A53 PolarHBondContact N-O 3.39Å; C51-A53 PolarHBondContact O-N 3.43Å; A53-R55 HydrophobicContact CB-CG 4.35Å |
| 54 | L | 98.7 | Very high | 97.9 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.7 | 162 | 177 | 59.5 | 0 | 0 | 0 | 109.6 | V14 V25 L27 V39 V42 | V14-L54 HydrophobicContact CG1-CD1 3.53Å; V14-L54 HydrophobicContact CG1-CD2 4.26Å; V25-L54 HydrophobicContact CB-CD1 4.07Å; V25-L54 HydrophobicContact CG1-CD1 3.88Å; V25-L54 WeakPolarHBondContact O-CA 3.27Å; L27-L54 HydrophobicContact CB-CD1 4.12Å; V39-L54 HydrophobicContact CB-CD2 4.34Å; V39-L54 HydrophobicContact CG1-CD2 4.08Å; V39-L54 HydrophobicContact CG1-CG 4.04Å; V39-L54 HydrophobicContact CG2-CD2 4.24Å; V39-L54 HydrophobicContact CG2-CG 4.08Å; V42-L54 HydrophobicContact CB-CD2 3.53Å; V42-L54 HydrophobicContact CG1-CD2 3.51Å; V42-L54 HydrophobicContact CG2-CD2 4.3Å |
| 55 | R | 98.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.2 | -179.3 | -63 | -178.8 | -177.7 | 177.8 | -1.7 | 110.8 | I24 V25 Y26 L27 A53 N77 | I24-R55 HydrophobicContact CG2-CG 4.18Å; V25-R55 PolarHBondContact O-N 2.9Å; Y26-R55 WeakPolarHBondContact CA-O 3.43Å; Y26-R55 HydrophobicContact CD1-CB 3.79Å; Y26-R55 HydrophobicContact CE1-CB 3.71Å; Y26-R55 HydrophobicContact CE1-CG 4.36Å; Y26-R55 PolarHBondContact OH-NH1 3.42Å; L27-R55 PolarHBondContact N-O 3.15Å; A53-R55 HydrophobicContact CB-CG 4.35Å; R55-N77 PolarHBondContact NH1-OD1 3.3Å |
| 56 | F | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 138.4 | 167.1 | 175.9 | -107 | 0 | 0 | 0 | 110.5 | L27 A29 V32 G35 K36 V39 Q58 | L27-F56 HydrophobicContact CD2-CD2 3.82Å; L27-F56 HydrophobicContact CD2-CE2 4.25Å; L27-F56 WeakPolarHBondContact O-CA 3.47Å; L27-F56 WeakPolarHBondContact O-CD2 3.4Å; A29-F56 HydrophobicContact CB-CE2 4.16Å; V32-F56 HydrophobicContact CB-CE1 4.19Å; V32-F56 HydrophobicContact CB-CZ 4.45Å; V32-F56 HydrophobicContact CG1-CE1 3.92Å; V32-F56 HydrophobicContact CG2-CE1 4.19Å; V32-F56 HydrophobicContact CG2-CZ 4.4Å; G35-F56 VanDerWaalsContact CA-CE2 3.48Å; K36-F56 HydrophobicContact CG-CD1 3.82Å; K36-F56 HydrophobicContact CG-CE1 4.39Å; K36-F56 HydrophobicContact CG-CG 4.22Å; V39-F56 HydrophobicContact CG2-CB 3.83Å; F56-Q58 HydrophobicContact CE1-CB 4.29Å; F56-Q58 HydrophobicContact CZ-CB 4.14Å |
| 57 | H | 98.8 | Very high | 98 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.2 | 160.7 | -163.7 | -70.8 | 0 | 0 | 0 | 109.8 | Y26 L27 T28 L59 F70 H73 | Y26-H57 HydrophobicContact CD1-CB 4.49Å; L27-H57 PolarHBondContact O-N 3.04Å; T28-H57 VanDerWaalsContact CA-O 3.23Å; T28-H57 WeakPolarHBondContact CA-O 3.4Å; T28-H57 VanDerWaalsContact CB-O 3.28Å; T28-H57 WeakPolarHBondContact CB-O 3.38Å; H57-L59 PolarHBondContact O-N 3.25Å; H57-F70 HydrophobicContact CB-CD2 3.84Å; H57-F70 HydrophobicContact CB-CE2 3.85Å; H57-F70 AromaticContact CG-CD2 3.57Å; H57-F70 AromaticContact ND1-CD2 3.48Å; H57-F70 WeakPolarHBondContact ND1-CD2 3.29Å; H57-H73 AromaticContact CD2-CD2 3.47Å; H57-H73 PolarHBondContact CD2-CD2 3.23Å; H57-H73 VanDerWaalsContact CD2-CD2 3.47Å; H57-H73 AromaticContact CD2-CG 3.52Å; H57-H73 AromaticContact CD2-NE2 3.93Å; H57-H73 AromaticContact NE2-CG 3.7Å |
| 58 | Q | 98.7 | Very high | 98.3 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134 | 176.3 | -171.2 | -82.3 | -30.9 | 0 | 0 | 110 | A29 V32 F56 S66 | A29-Q58 WeakPolarHBondContact O-CA 3.31Å; V32-Q58 HydrophobicContact CG2-CB 3.98Å; V32-Q58 HydrophobicContact CG2-CG 3.82Å; F56-Q58 HydrophobicContact CE1-CB 4.29Å; F56-Q58 HydrophobicContact CZ-CB 4.14Å; Q58-S66 PolarHBondContact NE2-OG 3.12Å; Q58-S66 PolarHBondContact OE1-OG 3.13Å |
| 59 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -149.6 | 116.5 | 172.8 | -177.3 | 59.7 | 0 | 0 | 0 | 109.6 | M1 T3 T28 A29 R30 H57 I61 S66 I67 F70 | M1-L59 HydrophobicContact CE-CD2 4.29Å; T3-L59 HydrophobicContact CG2-CD2 3.92Å; T28-L59 HydrophobicContact CG2-CB 4.29Å; T28-L59 HydrophobicContact CG2-CD2 4.43Å; A29-L59 CarbonylContact C-O 3.54Å; A29-L59 VanDerWaalsContact C-O 3.25Å; A29-L59 PolarHBondContact O-N 2.81Å; R30-L59 PolarHBondContact N-O 3.12Å; H57-L59 PolarHBondContact O-N 3.25Å; L59-I61 HydrophobicContact CD2-CG2 4.14Å; L59-I61 HydrophobicContact CG-CG2 4.07Å; L59-S66 WeakPolarHBondContact CA-OG 3.43Å; L59-I67 HydrophobicContact CD1-CB 4.49Å; L59-I67 HydrophobicContact CD1-CG1 4.04Å; L59-F70 HydrophobicContact CD1-CB 4.02Å; L59-F70 HydrophobicContact CD1-CG 4.41Å; L59-F70 HydrophobicContact CD2-CD1 4.1Å; L59-F70 HydrophobicContact CD2-CE1 4.44Å; L59-F70 HydrophobicContact CD2-CG 4.47Å | ||
| 60 | D | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | trans | -101.6 | 113.5 | 158.8 | -167.2 | -29.3 | 0 | 0 | 0 | 108.5 | R30 T62 D63 S66 | R30-D60 VanDerWaalsContact CD-CG 3.48Å; R30-D60 WeakPolarHBondContact CD-OD2 3.42Å; R30-D60 HydrophobicContact CG-CB 3.74Å; R30-D60 WeakPolarHBondContact CG-OD2 3.35Å; D60-T62 PolarHBondContact O-N 2.84Å; D60-T62 VanDerWaalsContact O-N 3.15Å; D60-T62 WeakPolarHBondContact OD1-CB 3.41Å; D60-T62 PolarHBondContact OD1-N 3.33Å; D60-T62 PolarHBondContact OD1-OG1 2.94Å; D60-D63 HydrophobicContact CB-CB 4.03Å; D60-D63 PolarHBondContact O-N 3.4Å; D60-S66 PolarHBondContact N-OG 2.8Å | ||
| 61 | I | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.5 | -178.3 | 68.3 | 164 | 0 | 0 | 0 | 112.5 | T3 L59 A87 T109 G113 V117 | T3-I61 HydrophobicContact CG2-CG2 4Å; L59-I61 HydrophobicContact CD2-CG2 4.14Å; L59-I61 HydrophobicContact CG-CG2 4.07Å; I61-A87 HydrophobicContact CD1-CB 3.77Å; I61-A87 HydrophobicContact CG1-CB 4.33Å; I61-A87 HydrophobicContact CG2-CB 4.43Å; I61-T109 HydrophobicContact CD1-CG2 3.98Å; I61-T109 VanDerWaalsContact CD1-O 3.3Å; I61-T109 WeakPolarHBondContact CD1-O 3.4Å; I61-T109 HydrophobicContact CG1-CG2 4.33Å; I61-G113 WeakPolarHBondContact O-CA 3.39Å; I61-V117 HydrophobicContact CB-CG2 3.74Å; I61-V117 HydrophobicContact CG2-CG2 3.57Å |
| 62 | T | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 1.3 | 177.3 | 69 | 0 | 0 | 0 | 0 | 113.4 | D60 K108 T109 | D60-T62 PolarHBondContact O-N 2.84Å; D60-T62 VanDerWaalsContact O-N 3.15Å; D60-T62 WeakPolarHBondContact OD1-CB 3.41Å; D60-T62 PolarHBondContact OD1-N 3.33Å; D60-T62 PolarHBondContact OD1-OG1 2.94Å; T62-K108 HydrophobicContact CG2-CG 4.23Å; T62-T109 HydrophobicContact CG2-CG2 4.31Å |
| 63 | D | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | trans | -115.1 | 111.1 | 176.6 | 172.4 | 9 | 0 | 0 | 0 | 109.4 | D60 E65 S66 I67 R69 | D60-D63 HydrophobicContact CB-CB 4.03Å; D60-D63 PolarHBondContact O-N 3.4Å; D63-E65 VanDerWaalsContact C-N 3.31Å; D63-E65 PolarHBondContact O-N 2.98Å; D63-E65 PolarHBondContact OD1-N 3.03Å; D63-S66 WeakPolarHBondContact O-CA 3.39Å; D63-S66 VanDerWaalsContact O-CB 3.3Å; D63-S66 WeakPolarHBondContact O-CB 3.32Å; D63-S66 PolarHBondContact O-N 3.16Å; D63-S66 VanDerWaalsContact O-N 3.07Å; D63-S66 PolarHBondContact OD1-N 3.06Å; D63-S66 WeakPolarHBondContact OD2-CB 3.3Å; D63-S66 PolarHBondContact OD2-N 3.36Å; D63-I67 WeakPolarHBondContact O-CG1 3.35Å; D63-I67 PolarHBondContact O-N 3.49Å; D63-R69 IonicContact OD2-NH2 3.79Å | ||
| 64 | E | 98.5 | Very high | 98.7 | Very high | 134 Ų | 134 | 47.2 Ų | 47.2 | 63% | 0.626 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -57.1 | -42.5 | -179.2 | -176.4 | 173.6 | -169.4 | 0 | 0 | 112.4 | S66 I67 L68 | E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.95Å; E64-I67 PolarHBondContact O-N 2.91Å; E64-I67 VanDerWaalsContact O-N 3.13Å; E64-L68 HydrophobicContact CG-CD1 4.19Å; E64-L68 HydrophobicContact CG-CG 4.44Å; E64-L68 WeakPolarHBondContact O-CG 3.32Å; E64-L68 PolarHBondContact O-N 3.48Å |
| 65 | E | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.5 | -34.9 | 178.2 | -74.2 | -62.8 | 153.6 | 0 | 0 | 111.2 | D63 I67 L68 R69 | D63-E65 VanDerWaalsContact C-N 3.31Å; D63-E65 PolarHBondContact O-N 2.98Å; D63-E65 PolarHBondContact OD1-N 3.03Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-L68 PolarHBondContact O-N 2.83Å; E65-R69 WeakPolarHBondContact O-CB 3.29Å; E65-R69 VanDerWaalsContact O-CG 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.3Å; E65-R69 PolarHBondContact O-N 2.7Å; E65-R69 PolarHBondContact O-NH1 3.03Å |
| 66 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 172 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | Q58 L59 D60 D63 E64 R69 F70 | Q58-S66 PolarHBondContact NE2-OG 3.12Å; Q58-S66 PolarHBondContact OE1-OG 3.13Å; L59-S66 WeakPolarHBondContact CA-OG 3.43Å; D60-S66 PolarHBondContact N-OG 2.8Å; D63-S66 WeakPolarHBondContact O-CA 3.39Å; D63-S66 VanDerWaalsContact O-CB 3.3Å; D63-S66 WeakPolarHBondContact O-CB 3.32Å; D63-S66 PolarHBondContact O-N 3.16Å; D63-S66 VanDerWaalsContact O-N 3.07Å; D63-S66 PolarHBondContact OD1-N 3.06Å; D63-S66 WeakPolarHBondContact OD2-CB 3.3Å; D63-S66 PolarHBondContact OD2-N 3.36Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.95Å; S66-R69 VanDerWaalsContact CA-NH2 3.33Å; S66-F70 PolarHBondContact O-N 3.35Å |
| 67 | I | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 177.3 | -61.1 | 167.6 | 0 | 0 | 0 | 110 | L59 D63 E64 E65 R69 F70 K71 A116 V117 Q120 | L59-I67 HydrophobicContact CD1-CB 4.49Å; L59-I67 HydrophobicContact CD1-CG1 4.04Å; D63-I67 WeakPolarHBondContact O-CG1 3.35Å; D63-I67 PolarHBondContact O-N 3.49Å; E64-I67 PolarHBondContact O-N 2.91Å; E64-I67 VanDerWaalsContact O-N 3.13Å; E65-I67 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 2.93Å; I67-F70 PolarHBondContact O-N 3.38Å; I67-K71 WeakPolarHBondContact O-CB 3.48Å; I67-K71 PolarHBondContact O-N 3.02Å; I67-A116 HydrophobicContact CD1-CB 3.68Å; I67-V117 HydrophobicContact CD1-CG2 4.08Å; I67-V117 HydrophobicContact CG1-CG2 4.11Å; I67-Q120 HydrophobicContact CG2-CB 3.59Å; I67-Q120 HydrophobicContact CG2-CG 3.66Å |
| 68 | L | 98.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 179.9 | -69.9 | 176.5 | 0 | 0 | 0 | 112.5 | E64 E65 F70 K71 R72 Q120 | E64-L68 HydrophobicContact CG-CD1 4.19Å; E64-L68 HydrophobicContact CG-CG 4.44Å; E64-L68 WeakPolarHBondContact O-CG 3.32Å; E64-L68 PolarHBondContact O-N 3.48Å; E65-L68 PolarHBondContact O-N 2.83Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 2.87Å; L68-K71 HydrophobicContact CD2-CD 4.34Å; L68-K71 PolarHBondContact O-N 3.4Å; L68-R72 WeakPolarHBondContact O-CG 3.41Å; L68-R72 PolarHBondContact O-N 3.07Å; L68-Q120 HydrophobicContact CD2-CG 4.49Å |
| 69 | R | 98.8 | Very high | 98.3 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 172.5 | -74.9 | -171.6 | -56.9 | -87.6 | 3.9 | 111.5 | D63 E65 S66 I67 R72 H73 | D63-R69 IonicContact OD2-NH2 3.79Å; E65-R69 WeakPolarHBondContact O-CB 3.29Å; E65-R69 VanDerWaalsContact O-CG 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.3Å; E65-R69 PolarHBondContact O-N 2.7Å; E65-R69 PolarHBondContact O-NH1 3.03Å; S66-R69 VanDerWaalsContact CA-NH2 3.33Å; I67-R69 PolarHBondContact O-N 2.93Å; R69-R72 PolarHBondContact O-N 2.84Å; R69-H73 PolarHBondContact O-N 3.24Å; R69-H73 VanDerWaalsContact O-N 3.15Å |
| 70 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 178.2 | -176.6 | -109.7 | 0 | 0 | 0 | 112.3 | M1 Y26 T28 H57 L59 S66 I67 L68 R72 H73 I74 L121 | M1-F70 HydrophobicContact CB-CZ 4.18Å; M1-F70 HydrophobicContact CE-CE1 4.33Å; M1-F70 HydrophobicContact CE-CZ 4.37Å; M1-F70 HydrophobicContact CG-CE1 4.36Å; M1-F70 HydrophobicContact CG-CZ 4.31Å; M1-F70 HydrophobicContact SD-CD1 4.42Å; M1-F70 HydrophobicContact SD-CE1 3.32Å; M1-F70 WeakPolarHBondContact SD-CE1 3.38Å; M1-F70 HydrophobicContact SD-CZ 3.65Å; Y26-F70 HydrophobicContact CD1-CE2 4.5Å; T28-F70 HydrophobicContact CG2-CD2 4.43Å; T28-F70 HydrophobicContact CG2-CE2 3.78Å; T28-F70 HydrophobicContact CG2-CZ 3.9Å; H57-F70 HydrophobicContact CB-CD2 3.84Å; H57-F70 HydrophobicContact CB-CE2 3.85Å; H57-F70 AromaticContact CG-CD2 3.57Å; H57-F70 AromaticContact ND1-CD2 3.48Å; H57-F70 WeakPolarHBondContact ND1-CD2 3.29Å; L59-F70 HydrophobicContact CD1-CB 4.02Å; L59-F70 HydrophobicContact CD1-CG 4.41Å; L59-F70 HydrophobicContact CD2-CD1 4.1Å; L59-F70 HydrophobicContact CD2-CE1 4.44Å; L59-F70 HydrophobicContact CD2-CG 4.47Å; S66-F70 PolarHBondContact O-N 3.35Å; I67-F70 PolarHBondContact O-N 3.38Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 2.87Å; F70-R72 PolarHBondContact O-N 2.84Å; F70-H73 WeakPolarHBondContact O-CB 3.48Å; F70-H73 PolarHBondContact O-N 2.95Å; F70-I74 HydrophobicContact CD1-CG1 4.11Å; F70-I74 HydrophobicContact CD2-CG1 4.31Å; F70-I74 HydrophobicContact CE1-CD1 4.19Å; F70-I74 HydrophobicContact CE1-CG1 3.61Å; F70-I74 HydrophobicContact CE2-CD1 3.86Å; F70-I74 HydrophobicContact CE2-CG1 3.88Å; F70-I74 HydrophobicContact CG-CG1 4.45Å; F70-I74 HydrophobicContact CZ-CD1 3.59Å; F70-I74 HydrophobicContact CZ-CG1 3.52Å; F70-I74 WeakPolarHBondContact O-CG1 3.36Å; F70-I74 PolarHBondContact O-N 3.13Å; F70-L121 HydrophobicContact CD1-CD1 4.06Å; F70-L121 HydrophobicContact CD1-CD2 4.24Å; F70-L121 HydrophobicContact CE1-CD1 3.86Å |
| 71 | K | 98.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 22% | 0.222 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.4 | -52.1 | 174 | -180 | -168.6 | -176.3 | 175.6 | 0 | 111.4 | I67 L68 H73 I74 E75 Q120 L121 L124 | I67-K71 WeakPolarHBondContact O-CB 3.48Å; I67-K71 PolarHBondContact O-N 3.02Å; L68-K71 HydrophobicContact CD2-CD 4.34Å; L68-K71 PolarHBondContact O-N 3.4Å; K71-H73 VanDerWaalsContact C-N 3.32Å; K71-H73 PolarHBondContact O-N 3.21Å; K71-I74 PolarHBondContact O-N 3.02Å; K71-I74 VanDerWaalsContact O-N 3.16Å; K71-E75 WeakPolarHBondContact O-CB 3.41Å; K71-E75 PolarHBondContact O-N 3.45Å; K71-Q120 HydrophobicContact CD-CB 4.22Å; K71-Q120 VanDerWaalsContact CE-O 3.28Å; K71-Q120 WeakPolarHBondContact CE-O 3.34Å; K71-L121 HydrophobicContact CB-CD2 4.01Å; K71-L121 HydrophobicContact CG-CD2 4.3Å; K71-L124 HydrophobicContact CG-CD1 3.74Å; K71-L124 WeakPolarHBondContact O-CD1 3.29Å |
| 72 | R | 98.8 | Very high | 98.3 | Very high | 132 Ų | 132 | 56 Ų | 56 | 50% | 0.498 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 177.8 | -69.7 | 175.1 | -167.5 | 144.5 | 7.5 | 111.4 | L68 R69 F70 I74 E75 E76 | L68-R72 WeakPolarHBondContact O-CG 3.41Å; L68-R72 PolarHBondContact O-N 3.07Å; R69-R72 PolarHBondContact O-N 2.84Å; F70-R72 PolarHBondContact O-N 2.84Å; R72-I74 VanDerWaalsContact C-N 3.33Å; R72-I74 PolarHBondContact O-N 2.8Å; R72-E75 PolarHBondContact O-N 3.37Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.45Å; R72-E76 PolarHBondContact O-N 2.92Å |
| 73 | H | 98.7 | Very high | 98.3 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 177.2 | -179.3 | 71.4 | 0 | 0 | 0 | 112.6 | Y26 H57 R69 F70 K71 N77 | Y26-H73 AromaticContact CE1-CD2 3.8Å; Y26-H73 AromaticContact CE1-NE2 3.25Å; Y26-H73 VanDerWaalsContact CE1-NE2 3.25Å; Y26-H73 WeakPolarHBondContact CE1-NE2 3.45Å; Y26-H73 AromaticContact CZ-NE2 3.62Å; Y26-H73 PolarHBondContact OH-NE2 2.85Å; H57-H73 AromaticContact CD2-CD2 3.47Å; H57-H73 PolarHBondContact CD2-CD2 3.23Å; H57-H73 VanDerWaalsContact CD2-CD2 3.47Å; H57-H73 AromaticContact CD2-CG 3.52Å; H57-H73 AromaticContact CD2-NE2 3.93Å; H57-H73 AromaticContact NE2-CG 3.7Å; R69-H73 PolarHBondContact O-N 3.24Å; R69-H73 VanDerWaalsContact O-N 3.15Å; F70-H73 WeakPolarHBondContact O-CB 3.48Å; F70-H73 PolarHBondContact O-N 2.95Å; K71-H73 VanDerWaalsContact C-N 3.32Å; K71-H73 PolarHBondContact O-N 3.21Å; H73-N77 PolarHBondContact O-N 2.75Å; H73-N77 VanDerWaalsContact O-N 3.17Å; H73-N77 PolarHBondContact O-ND2 3.28Å |
| 74 | I | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | 178.6 | -69.9 | -54 | 0 | 0 | 0 | 112 | Y26 F70 K71 R72 N77 G78 G79 L80 L124 | Y26-I74 HydrophobicContact CD2-CD1 3.92Å; Y26-I74 HydrophobicContact CE2-CD1 3.77Å; Y26-I74 HydrophobicContact CG-CD1 4.4Å; F70-I74 HydrophobicContact CD1-CG1 4.11Å; F70-I74 HydrophobicContact CD2-CG1 4.31Å; F70-I74 HydrophobicContact CE1-CD1 4.19Å; F70-I74 HydrophobicContact CE1-CG1 3.61Å; F70-I74 HydrophobicContact CE2-CD1 3.86Å; F70-I74 HydrophobicContact CE2-CG1 3.88Å; F70-I74 HydrophobicContact CG-CG1 4.45Å; F70-I74 HydrophobicContact CZ-CD1 3.59Å; F70-I74 HydrophobicContact CZ-CG1 3.52Å; F70-I74 WeakPolarHBondContact O-CG1 3.36Å; F70-I74 PolarHBondContact O-N 3.13Å; K71-I74 PolarHBondContact O-N 3.02Å; K71-I74 VanDerWaalsContact O-N 3.16Å; R72-I74 VanDerWaalsContact C-N 3.33Å; R72-I74 PolarHBondContact O-N 2.8Å; I74-N77 CarbonylContact O-C 3.55Å; I74-N77 PolarHBondContact O-N 3.31Å; I74-N77 VanDerWaalsContact O-N 3.11Å; I74-G78 PolarHBondContact O-N 3.37Å; I74-G79 PolarHBondContact O-N 3.43Å; I74-L80 HydrophobicContact CD1-CD2 3.97Å; I74-L80 HydrophobicContact CG1-CD2 4.35Å; I74-L80 HydrophobicContact CG2-CD1 4.01Å; I74-L80 HydrophobicContact CG2-CD2 3.95Å; I74-L80 HydrophobicContact CG2-CG 3.53Å; I74-L124 HydrophobicContact CB-CD1 4.13Å; I74-L124 HydrophobicContact CG2-CB 4.28Å; I74-L124 HydrophobicContact CG2-CD1 3.79Å |
| 75 | E | 97.9 | Very high | 98.3 | Very high | 115 Ų | 115 | 44.6 Ų | 44.6 | 54% | 0.537 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.2 | -173.5 | 168.5 | -129 | 0 | 0 | 111.1 | K71 R72 N77 G78 L124 | K71-E75 WeakPolarHBondContact O-CB 3.41Å; K71-E75 PolarHBondContact O-N 3.45Å; R72-E75 PolarHBondContact O-N 3.37Å; E75-N77 PolarHBondContact O-N 3.19Å; E75-G78 PolarHBondContact O-N 3.34Å; E75-L124 HydrophobicContact CB-CD1 4.05Å; E75-L124 HydrophobicContact CB-CD2 3.96Å; E75-L124 HydrophobicContact CG-CD2 3.98Å |
| 76 | E | 97.9 | Very high | 98.3 | Very high | 155 Ų | 155 | 41.1 Ų | 41.1 | 72% | 0.724 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62.5 | -25.5 | 174 | -69.8 | 167.5 | -177 | 0 | 0 | 113.2 | R72 | R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.45Å; R72-E76 PolarHBondContact O-N 2.92Å |
| 77 | N | 96.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 12.7 | 176.6 | -72 | -99.1 | 0 | 0 | 0 | 112.7 | R55 H73 I74 E75 R126 | R55-N77 PolarHBondContact NH1-OD1 3.3Å; H73-N77 PolarHBondContact O-N 2.75Å; H73-N77 VanDerWaalsContact O-N 3.17Å; H73-N77 PolarHBondContact O-ND2 3.28Å; I74-N77 CarbonylContact O-C 3.55Å; I74-N77 PolarHBondContact O-N 3.31Å; I74-N77 VanDerWaalsContact O-N 3.11Å; E75-N77 PolarHBondContact O-N 3.19Å; N77-R126 PolarHBondContact O-NH2 3.36Å |
| 78 | G | 94.4 | Very high | 98.2 | Very high | 43 Ų | 43 | 43 Ų | 43 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 5.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | I74 E75 R126 | I74-G78 PolarHBondContact O-N 3.37Å; E75-G78 PolarHBondContact O-N 3.34Å; G78-R126 VanDerWaalsContact C-CZ 3.43Å; G78-R126 VanDerWaalsContact CA-NH2 3.25Å; G78-R126 PolarHBondContact O-NE 3.27Å; G78-R126 PolarHBondContact O-NH2 3.43Å |
| 79 | G | 98 | Very high | 98.2 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | trans | 109.9 | -167.5 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | I74 L124 R126 | I74-G79 PolarHBondContact O-N 3.43Å; G79-L124 CarbonylContact C-O 3.54Å; G79-L124 WeakPolarHBondContact CA-O 3.37Å; G79-R126 PolarHBondContact O-NH1 3.21Å | ||
| 80 | L | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.4 | -172.1 | -68.8 | 170.6 | 0 | 0 | 0 | 112.9 | M1 I74 L121 L124 L125 R126 | M1-L80 HydrophobicContact CB-CD2 4.15Å; M1-L80 HydrophobicContact CG-CD1 4.19Å; M1-L80 HydrophobicContact CG-CD2 3.96Å; I74-L80 HydrophobicContact CD1-CD2 3.97Å; I74-L80 HydrophobicContact CG1-CD2 4.35Å; I74-L80 HydrophobicContact CG2-CD1 4.01Å; I74-L80 HydrophobicContact CG2-CD2 3.95Å; I74-L80 HydrophobicContact CG2-CG 3.53Å; L80-L121 HydrophobicContact CD1-CB 4.13Å; L80-L121 HydrophobicContact CD1-CD1 3.97Å; L80-L121 HydrophobicContact CD1-CG 4.46Å; L80-L124 PolarHBondContact N-O 2.96Å; L80-L125 HydrophobicContact CB-CD2 4.15Å; L80-L125 CarbonylContact O-C 3.49Å; L80-L125 WeakPolarHBondContact O-CA 3.2Å; L80-R126 PolarHBondContact O-N 3.27Å |
| 81 | D | 98.6 | Very high | 98 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -35.1 | 168.6 | -54 | -80.9 | 0 | 0 | 0 | 111.1 | F21 R126 G129 R130 | F21-D81 HydrophobicContact CZ-CB 4.2Å; D81-R126 VanDerWaalsContact OD1-CD 3.31Å; D81-R126 WeakPolarHBondContact OD1-CD 3.48Å; D81-R126 IonicContact OD2-NH1 3.16Å; D81-R126 PolarHBondContact OD2-NH1 3.36Å; D81-R126 VanDerWaalsContact OD2-NH1 3.16Å; D81-G129 CarbonylContact O-C 3.33Å; D81-G129 VanDerWaalsContact O-CA 3.29Å; D81-G129 WeakPolarHBondContact O-CA 3.5Å; D81-R130 PolarHBondContact O-N 3.41Å |
| 82 | I | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.9 | -176.7 | -60.6 | 173.1 | 0 | 0 | 0 | 110.4 | M1 L17 F21 I84 R130 A249 L250 | M1-I82 PolarHBondContact N-O 3.36Å; L17-I82 HydrophobicContact CD2-CD1 4.41Å; F21-I82 HydrophobicContact CD2-CD1 3.64Å; F21-I82 HydrophobicContact CE2-CD1 3.57Å; F21-I82 HydrophobicContact CE2-CG1 4.35Å; F21-I82 HydrophobicContact CG-CD1 4.3Å; F21-I82 HydrophobicContact CZ-CD1 4.16Å; I82-I84 HydrophobicContact CG2-CD1 4.04Å; I82-I84 HydrophobicContact CG2-CG1 3.77Å; I82-R130 CarbonylContact C-O 3.55Å; I82-R130 WeakPolarHBondContact CA-O 3.27Å; I82-R130 HydrophobicContact CG1-CB 4.3Å; I82-A249 HydrophobicContact CD1-CB 4.35Å; I82-A249 WeakPolarHBondContact CD1-O 3.48Å; I82-A249 HydrophobicContact CG2-CB 3.8Å; I82-L250 HydrophobicContact CD1-CD2 3.74Å |
| 83 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.5 | 169.6 | 170.5 | 59.7 | 0 | 0 | 0 | 109.6 | M1 V117 L121 F122 L125 R130 V131 V132 | M1-L83 HydrophobicContact CE-CD1 4.24Å; M1-L83 HydrophobicContact CG-CD1 3.67Å; M1-L83 HydrophobicContact SD-CD1 3.39Å; M1-L83 WeakPolarHBondContact SD-CD1 3.25Å; L83-V117 HydrophobicContact CD1-CG1 4.23Å; L83-L121 HydrophobicContact CD1-CD1 4.19Å; L83-L121 HydrophobicContact CD2-CB 4.44Å; L83-F122 HydrophobicContact CD2-CE1 4.33Å; L83-L125 HydrophobicContact CB-CD2 4.45Å; L83-R130 PolarHBondContact N-O 2.86Å; L83-V131 HydrophobicContact CB-CG1 4.47Å; L83-V131 HydrophobicContact CB-CG2 4.31Å; L83-V131 HydrophobicContact CD2-CG1 4.13Å; L83-V131 HydrophobicContact CD2-CG2 4.48Å; L83-V131 HydrophobicContact CG-CG1 4.27Å; L83-V131 CarbonylContact O-C 3.51Å; L83-V131 VanDerWaalsContact O-CA 3.28Å; L83-V131 WeakPolarHBondContact O-CA 3.19Å; L83-V132 PolarHBondContact O-N 2.9Å |
| 84 | I | 99 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 106.1 | 174.4 | -54.1 | 177.6 | 0 | 0 | 0 | 108.8 | M1 V2 T3 I13 L17 I82 N86 V132 V134 P245 A249 | M1-I84 PolarHBondContact O-N 3.35Å; V2-I84 WeakPolarHBondContact CA-O 3.45Å; V2-I84 HydrophobicContact CG1-CB 4.46Å; V2-I84 HydrophobicContact CG2-CB 4.32Å; V2-I84 HydrophobicContact CG2-CD1 4.36Å; T3-I84 PolarHBondContact N-O 3.12Å; I13-I84 HydrophobicContact CD1-CG2 4.09Å; I13-I84 HydrophobicContact CG2-CD1 3.43Å; I13-I84 VanDerWaalsContact CG2-CD1 3.43Å; I13-I84 HydrophobicContact CG2-CG2 4.34Å; L17-I84 HydrophobicContact CD1-CD1 4.13Å; I82-I84 HydrophobicContact CG2-CD1 4.04Å; I82-I84 HydrophobicContact CG2-CG1 3.77Å; I84-N86 HydrophobicContact CG2-CB 4.4Å; I84-N86 PolarHBondContact O-N 3.3Å; I84-V132 CarbonylContact C-O 3.54Å; I84-V132 WeakPolarHBondContact CA-O 3.28Å; I84-V132 HydrophobicContact CG1-CB 4.17Å; I84-V132 HydrophobicContact CG1-CG2 4.38Å; I84-V132 HydrophobicContact CG2-CB 4.22Å; I84-V132 HydrophobicContact CG2-CG1 4.47Å; I84-V134 HydrophobicContact CG2-CG2 3.86Å; I84-P245 HydrophobicContact CG2-CB 4.46Å; I84-A249 HydrophobicContact CD1-CB 3.78Å; I84-A249 HydrophobicContact CG1-CB 4.34Å |
| 85 | N | 99 | Very high | 96.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 92.7 | 174.6 | -67.2 | -48.7 | 0 | 0 | 0 | 109.1 | T3 T114 C118 V132 N133 V134 | T3-N85 WeakPolarHBondContact OG1-CA 3.34Å; N85-T114 HydrophobicContact CB-CG2 3.86Å; N85-C118 PolarHBondContact ND2-SG 3.38Å; N85-V132 PolarHBondContact N-O 3.4Å; N85-N133 WeakPolarHBondContact CB-OD1 3.4Å; N85-N133 PolarHBondContact ND2-OD1 3.39Å; N85-V134 WeakPolarHBondContact O-CB 3.4Å; N85-V134 PolarHBondContact O-N 3.19Å |
| 86 | N | 98.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | trans | -105.9 | -26.7 | -178.7 | 159 | 91.8 | 0 | 0 | 0 | 113.4 | V2 T3 G4 G10 I13 I84 G88 V134 | V2-N86 HydrophobicContact CG1-CB 4.1Å; T3-N86 WeakPolarHBondContact O-CB 3.46Å; T3-N86 PolarHBondContact O-ND2 2.87Å; T3-N86 PolarHBondContact OG1-N 3.47Å; G4-N86 PolarHBondContact O-ND2 3.03Å; G10-N86 VanDerWaalsContact CA-ND2 3.28Å; G10-N86 WeakPolarHBondContact CA-ND2 3.45Å; G10-N86 PolarHBondContact N-OD1 3.17Å; I13-N86 HydrophobicContact CD1-CB 4.33Å; I84-N86 HydrophobicContact CG2-CB 4.4Å; I84-N86 PolarHBondContact O-N 3.3Å; N86-G88 PolarHBondContact O-N 2.98Å; N86-V134 HydrophobicContact CB-CB 4.38Å; N86-V134 HydrophobicContact CB-CG2 3.94Å | ||
| 87 | A | 98.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | trans | -55.2 | 127.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T3 I61 | T3-A87 PolarHBondContact O-N 3.36Å; T3-A87 WeakPolarHBondContact OG1-CB 3.14Å; T3-A87 PolarHBondContact OG1-N 2.94Å; I61-A87 HydrophobicContact CD1-CB 3.77Å; I61-A87 HydrophobicContact CG1-CB 4.33Å; I61-A87 HydrophobicContact CG2-CB 4.43Å | ||
| 88 | G | 97.8 | Very high | 96.4 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | trans | -167.1 | 161.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | N86 N110 | N86-G88 PolarHBondContact O-N 2.98Å; G88-N110 WeakPolarHBondContact CA-OD1 3.1Å | ||
| 89 | I | 97.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | trans | -133.6 | 157.4 | 179.2 | 64.2 | 171.5 | 0 | 0 | 0 | 110.6 | V105 T109 N110 Y189 | I89-V105 HydrophobicContact CD1-CG1 3.6Å; I89-T109 HydrophobicContact CG1-CG2 4.33Å; I89-T109 HydrophobicContact CG2-CG2 4.28Å; I89-N110 PolarHBondContact N-OD1 3.3Å; I89-N110 PolarHBondContact O-ND2 2.7Å; I89-N110 PolarHBondContact O-OD1 2.87Å; I89-Y189 VanDerWaalsContact O-CD2 3.29Å; I89-Y189 WeakPolarHBondContact O-CD2 3.12Å | ||
| 90 | A | 96.7 | Very high | 96.4 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | trans | -141.7 | 138.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y189 L229 | A90-Y189 HydrophobicContact CB-CD2 3.58Å; A90-Y189 HydrophobicContact CB-CE2 4.07Å; A90-Y189 HydrophobicContact CB-CG 4.03Å; A90-L229 HydrophobicContact CB-CD1 4.27Å; A90-L229 HydrophobicContact CB-CD2 4.34Å; A90-L229 HydrophobicContact CB-CG 4.11Å | ||
| 91 | F | 96.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | trans | -68.7 | 151.7 | 167.6 | -79.1 | -94.4 | 0 | 0 | 0 | 110.4 | S95 V97 Q102 V105 | F91-S95 WeakPolarHBondContact CD1-OG 3.45Å; F91-V97 HydrophobicContact CD1-CB 4.37Å; F91-V97 HydrophobicContact CD1-CG2 4.44Å; F91-V97 HydrophobicContact CE1-CB 4Å; F91-V97 HydrophobicContact CE1-CG1 4.05Å; F91-V97 HydrophobicContact CE1-CG2 3.92Å; F91-V97 HydrophobicContact CZ-CG1 4.38Å; F91-Q102 HydrophobicContact CB-CG 4.23Å; F91-Q102 HydrophobicContact CD1-CG 3.84Å; F91-Q102 HydrophobicContact CD2-CB 3.76Å; F91-Q102 HydrophobicContact CD2-CG 3.85Å; F91-Q102 HydrophobicContact CE1-CG 4.1Å; F91-Q102 HydrophobicContact CE2-CB 3.99Å; F91-Q102 HydrophobicContact CE2-CG 4.14Å; F91-Q102 HydrophobicContact CG-CB 4.1Å; F91-Q102 HydrophobicContact CG-CG 3.68Å; F91-Q102 HydrophobicContact CZ-CB 4.49Å; F91-Q102 HydrophobicContact CZ-CG 4.24Å; F91-V105 HydrophobicContact CE2-CB 3.91Å; F91-V105 HydrophobicContact CE2-CG1 3.89Å; F91-V105 HydrophobicContact CZ-CB 4.07Å; F91-V105 HydrophobicContact CZ-CG1 3.97Å | ||
| 92 | K | 92.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | trans | -70 | 150.4 | 171.9 | -57.3 | -57.9 | -174.7 | -179.3 | 0 | 110.3 | D94 S95 D228 L229 S231 | K92-D94 WeakPolarHBondContact CB-OD1 3.33Å; K92-D94 PolarHBondContact O-N 3.23Å; K92-S95 WeakPolarHBondContact O-CB 3.41Å; K92-S95 PolarHBondContact O-N 3.15Å; K92-D228 PolarHBondContact NZ-O 3.2Å; K92-L229 PolarHBondContact NZ-O 2.81Å; K92-S231 WeakPolarHBondContact CE-OG 3.5Å; K92-S231 PolarHBondContact NZ-OG 3.01Å | ||
| 93 | H | 88 | Confident | 96.3 | Very high | 203 Ų | 203 | 52.3 Ų | 52.3 | 94% | 0.94 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.5 | -179.5 | -174.1 | -66.6 | 0 | 0 | 0 | 112.5 | ||
| 94 | D | 90.6 | Very high | 96.3 | Very high | 136 Ų | 136 | 56.8 Ų | 56.8 | 73% | 0.727 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.9 | 177.9 | 59.6 | -16.9 | 0 | 0 | 0 | 113.4 | K92 T96 | K92-D94 WeakPolarHBondContact CB-OD1 3.33Å; K92-D94 PolarHBondContact O-N 3.23Å; D94-T96 PolarHBondContact O-N 2.91Å |
| 95 | S | 93.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | trans | -60.6 | 128.2 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | F91 K92 V97 Q102 | F91-S95 WeakPolarHBondContact CD1-OG 3.45Å; K92-S95 WeakPolarHBondContact O-CB 3.41Å; K92-S95 PolarHBondContact O-N 3.15Å; S95-V97 VanDerWaalsContact C-N 3.3Å; S95-V97 WeakPolarHBondContact OG-CB 3.16Å; S95-V97 PolarHBondContact OG-N 2.87Å; S95-Q102 PolarHBondContact OG-NE2 2.84Å | ||
| 96 | T | 95.5 | Very high | 96.3 | Very high | 142 Ų | 142 | 59.4 Ų | 59.4 | 87% | 0.871 | 33% | 0.332 | S | S | * | . | trans | -84.7 | -2.6 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | D94 | D94-T96 PolarHBondContact O-N 2.91Š| ||
| 97 | V | 96.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -62.5 | 136.1 | 177 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | F91 S95 E101 Q102 | F91-V97 HydrophobicContact CD1-CB 4.37Å; F91-V97 HydrophobicContact CD1-CG2 4.44Å; F91-V97 HydrophobicContact CE1-CB 4Å; F91-V97 HydrophobicContact CE1-CG1 4.05Å; F91-V97 HydrophobicContact CE1-CG2 3.92Å; F91-V97 HydrophobicContact CZ-CG1 4.38Å; S95-V97 VanDerWaalsContact C-N 3.3Å; S95-V97 WeakPolarHBondContact OG-CB 3.16Å; S95-V97 PolarHBondContact OG-N 2.87Å; V97-E101 HydrophobicContact CG1-CB 3.81Å; V97-E101 HydrophobicContact CG1-CG 3.79Å; V97-Q102 HydrophobicContact CB-CG 3.9Å; V97-Q102 HydrophobicContact CG1-CG 3.81Å; V97-Q102 PolarHBondContact O-NE2 3.3Å |
| 98 | P | 96.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | trans | -56.1 | 143.1 | 179.2 | -26.9 | 35.7 | 0 | 0 | 0 | 113.4 | G100 E101 Q102 | P98-G100 PolarHBondContact O-N 3.44Å; P98-G100 VanDerWaalsContact O-N 3.14Å; P98-E101 PolarHBondContact O-N 2.99Å; P98-Q102 WeakPolarHBondContact O-CG 3.28Å; P98-Q102 PolarHBondContact O-N 3.4Å | ||
| 99 | A | 94.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.8 | -33 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | A103 N188 | A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 2.82Å; A99-N188 PolarHBondContact O-ND2 3.03Å |
| 100 | G | 97.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P98 A103 E104 A174 | P98-G100 PolarHBondContact O-N 3.44Å; P98-G100 VanDerWaalsContact O-N 3.14Å; G100-A103 PolarHBondContact O-N 2.83Å; G100-E104 WeakPolarHBondContact O-CB 3.39Å; G100-E104 PolarHBondContact O-N 3.29Å; G100-A174 PolarHBondContact N-O 2.81Å |
| 101 | E | 98.2 | Very high | 96.5 | Very high | 101 Ų | 101 | 59 Ų | 59 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 174.7 | -175.7 | -177.7 | 159.8 | 0 | 0 | 110.8 | V97 P98 A103 E104 V105 | V97-E101 HydrophobicContact CG1-CB 3.81Å; V97-E101 HydrophobicContact CG1-CG 3.79Å; P98-E101 PolarHBondContact O-N 2.99Å; E101-A103 VanDerWaalsContact C-N 3.31Å; E101-A103 PolarHBondContact O-N 2.87Å; E101-E104 PolarHBondContact O-N 3.39Å; E101-V105 HydrophobicContact CG-CG2 4.35Å; E101-V105 WeakPolarHBondContact O-CB 3.18Å; E101-V105 WeakPolarHBondContact O-CG2 3Å; E101-V105 PolarHBondContact O-N 3.05Å |
| 102 | Q | 98.1 | Very high | 96.6 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 173.2 | -66.8 | -168.7 | 28.3 | 0 | 0 | 112 | F91 S95 V97 P98 T106 N188 | F91-Q102 HydrophobicContact CB-CG 4.23Å; F91-Q102 HydrophobicContact CD1-CG 3.84Å; F91-Q102 HydrophobicContact CD2-CB 3.76Å; F91-Q102 HydrophobicContact CD2-CG 3.85Å; F91-Q102 HydrophobicContact CE1-CG 4.1Å; F91-Q102 HydrophobicContact CE2-CB 3.99Å; F91-Q102 HydrophobicContact CE2-CG 4.14Å; F91-Q102 HydrophobicContact CG-CB 4.1Å; F91-Q102 HydrophobicContact CG-CG 3.68Å; F91-Q102 HydrophobicContact CZ-CB 4.49Å; F91-Q102 HydrophobicContact CZ-CG 4.24Å; S95-Q102 PolarHBondContact OG-NE2 2.84Å; V97-Q102 HydrophobicContact CB-CG 3.9Å; V97-Q102 HydrophobicContact CG1-CG 3.81Å; V97-Q102 PolarHBondContact O-NE2 3.3Å; P98-Q102 WeakPolarHBondContact O-CG 3.28Å; P98-Q102 PolarHBondContact O-N 3.4Å; Q102-T106 WeakPolarHBondContact O-CB 3.48Å; Q102-T106 PolarHBondContact O-N 3.39Å; Q102-T106 PolarHBondContact O-OG1 2.82Å; Q102-N188 VanDerWaalsContact CB-ND2 3.34Å; Q102-N188 WeakPolarHBondContact CB-ND2 3.3Å |
| 103 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -50.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A99 G100 E101 V105 T106 L107 F170 A174 N188 | A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 2.82Å; G100-A103 PolarHBondContact O-N 2.83Å; E101-A103 VanDerWaalsContact C-N 3.31Å; E101-A103 PolarHBondContact O-N 2.87Å; A103-V105 PolarHBondContact O-N 3.13Å; A103-T106 PolarHBondContact O-N 3.11Å; A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CD1 3.33Å; A103-L107 PolarHBondContact O-N 3.26Å; A103-F170 HydrophobicContact CB-CE1 4.02Å; A103-A174 HydrophobicContact CB-CB 3.41Å; A103-A174 VanDerWaalsContact CB-CB 3.41Å; A103-N188 HydrophobicContact CB-CB 4.45Å; A103-N188 WeakPolarHBondContact CB-OD1 3.41Å; A103-N188 PolarHBondContact N-ND2 3.05Å |
| 104 | E | 98.6 | Very high | 97.4 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.9 | -51.9 | 179.9 | 177.3 | 165.6 | -158.6 | 0 | 0 | 112 | G100 E101 T106 K108 T171 K175 | G100-E104 WeakPolarHBondContact O-CB 3.39Å; G100-E104 PolarHBondContact O-N 3.29Å; E101-E104 PolarHBondContact O-N 3.39Å; E104-T106 PolarHBondContact O-N 3.45Å; E104-K108 WeakPolarHBondContact O-CB 2.97Å; E104-K108 PolarHBondContact O-N 2.86Å; E104-T171 HydrophobicContact CB-CG2 4.04Å; E104-K175 IonicContact OE1-NZ 2.8Å; E104-K175 WeakPolarHBondContact OE2-CE 3.36Å; E104-K175 IonicContact OE2-NZ 3.73Å; E104-K175 PolarHBondContact OE2-NZ 3.14Å |
| 105 | V | 98.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 33% | 0.327 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -178.8 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | I89 F91 E101 A103 T109 | I89-V105 HydrophobicContact CD1-CG1 3.6Å; F91-V105 HydrophobicContact CE2-CB 3.91Å; F91-V105 HydrophobicContact CE2-CG1 3.89Å; F91-V105 HydrophobicContact CZ-CB 4.07Å; F91-V105 HydrophobicContact CZ-CG1 3.97Å; E101-V105 HydrophobicContact CG-CG2 4.35Å; E101-V105 WeakPolarHBondContact O-CB 3.18Å; E101-V105 WeakPolarHBondContact O-CG2 3Å; E101-V105 PolarHBondContact O-N 3.05Å; A103-V105 PolarHBondContact O-N 3.13Å; V105-T109 PolarHBondContact O-N 3.13Å; V105-T109 PolarHBondContact O-OG1 3.23Å |
| 106 | T | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | Q102 A103 E104 T109 N110 | Q102-T106 WeakPolarHBondContact O-CB 3.48Å; Q102-T106 PolarHBondContact O-N 3.39Å; Q102-T106 PolarHBondContact O-OG1 2.82Å; A103-T106 PolarHBondContact O-N 3.11Å; E104-T106 PolarHBondContact O-N 3.45Å; T106-T109 PolarHBondContact O-N 3.22Å; T106-N110 WeakPolarHBondContact O-CB 3.12Å; T106-N110 PolarHBondContact O-N 3.46Å |
| 107 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 178.5 | -91.3 | 71 | 0 | 0 | 0 | 111.5 | A103 T109 Y111 W112 M167 F170 T171 | A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CD1 3.33Å; A103-L107 PolarHBondContact O-N 3.26Å; L107-T109 PolarHBondContact O-N 3.45Å; L107-Y111 WeakPolarHBondContact O-CB 3.17Å; L107-Y111 PolarHBondContact O-N 3.39Å; L107-W112 VanDerWaalsContact O-CD1 3.3Å; L107-W112 PolarHBondContact O-N 3.4Å; L107-M167 HydrophobicContact CD2-CB 3.92Å; L107-M167 HydrophobicContact CD2-CG 4.43Å; L107-M167 WeakPolarHBondContact CD2-O 3.47Å; L107-M167 HydrophobicContact CD2-SD 4.16Å; L107-F170 HydrophobicContact CD1-CD1 3.91Å; L107-F170 HydrophobicContact CD1-CE1 3.77Å; L107-F170 HydrophobicContact CD2-CD1 3.8Å; L107-F170 HydrophobicContact CD2-CE1 4.5Å; L107-T171 WeakPolarHBondContact CD2-OG1 3.3Å |
| 108 | K | 98.8 | Very high | 98.3 | Very high | 114 Ų | 114 | 31.8 Ų | 31.8 | 50% | 0.496 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -53.4 | -41.4 | 175.7 | -174.5 | 176.2 | -175.6 | -179.3 | 0 | 111.6 | T62 E104 G113 | T62-K108 HydrophobicContact CG2-CG 4.23Å; E104-K108 WeakPolarHBondContact O-CB 2.97Å; E104-K108 PolarHBondContact O-N 2.86Å; K108-G113 PolarHBondContact O-N 3.06Å |
| 109 | T | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -82 | -59.5 | 178.6 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | I61 T62 I89 V105 T106 L107 Y111 T114 | I61-T109 HydrophobicContact CD1-CG2 3.98Å; I61-T109 VanDerWaalsContact CD1-O 3.3Å; I61-T109 WeakPolarHBondContact CD1-O 3.4Å; I61-T109 HydrophobicContact CG1-CG2 4.33Å; T62-T109 HydrophobicContact CG2-CG2 4.31Å; I89-T109 HydrophobicContact CG1-CG2 4.33Å; I89-T109 HydrophobicContact CG2-CG2 4.28Å; V105-T109 PolarHBondContact O-N 3.13Å; V105-T109 PolarHBondContact O-OG1 3.23Å; T106-T109 PolarHBondContact O-N 3.22Å; L107-T109 PolarHBondContact O-N 3.45Å; T109-Y111 PolarHBondContact O-N 2.68Å; T109-T114 PolarHBondContact O-N 3.17Å |
| 110 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -75.5 | -28.2 | -164.5 | -63.3 | 1.7 | 0 | 0 | 0 | 113.3 | G88 I89 T106 T114 S192 | G88-N110 WeakPolarHBondContact CA-OD1 3.1Å; I89-N110 PolarHBondContact N-OD1 3.3Å; I89-N110 PolarHBondContact O-ND2 2.7Å; I89-N110 PolarHBondContact O-OD1 2.87Å; T106-N110 WeakPolarHBondContact O-CB 3.12Å; T106-N110 PolarHBondContact O-N 3.46Å; N110-T114 PolarHBondContact O-OG1 3.23Å; N110-S192 PolarHBondContact ND2-OG 3.19Å |
| 111 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -108.2 | -64.6 | -179.1 | 178.7 | -99.1 | 0 | 0 | 0 | 110.9 | L107 T109 G113 T114 K115 L163 D164 M167 G195 L199 | L107-Y111 WeakPolarHBondContact O-CB 3.17Å; L107-Y111 PolarHBondContact O-N 3.39Å; T109-Y111 PolarHBondContact O-N 2.68Å; Y111-G113 PolarHBondContact O-N 3.36Å; Y111-T114 PolarHBondContact O-N 3.14Å; Y111-K115 HydrophobicContact CE1-CD 4.41Å; Y111-K115 VanDerWaalsContact O-CB 3.28Å; Y111-K115 WeakPolarHBondContact O-CB 3.45Å; Y111-K115 PolarHBondContact O-N 3.35Å; Y111-L163 HydrophobicContact CE2-CD2 3.77Å; Y111-L163 HydrophobicContact CE2-CG 4.06Å; Y111-L163 WeakPolarHBondContact OH-CD2 3.39Å; Y111-L163 VanDerWaalsContact OH-CG 3.3Å; Y111-L163 WeakPolarHBondContact OH-CG 3.4Å; Y111-D164 PolarHBondContact OH-OD1 3.17Å; Y111-M167 HydrophobicContact CD1-CB 4.16Å; Y111-M167 HydrophobicContact CD1-CG 3.64Å; Y111-M167 HydrophobicContact CD2-CG 4.1Å; Y111-M167 HydrophobicContact CD2-SD 4.37Å; Y111-M167 HydrophobicContact CE1-CB 4.09Å; Y111-M167 HydrophobicContact CE1-CG 3.52Å; Y111-M167 HydrophobicContact CE2-CG 3.96Å; Y111-M167 HydrophobicContact CG-CG 3.93Å; Y111-M167 HydrophobicContact CG-SD 4.41Å; Y111-G195 VanDerWaalsContact CD2-C 3.47Å; Y111-G195 WeakPolarHBondContact CE2-O 3.49Å; Y111-L199 HydrophobicContact CE2-CB 4.03Å; Y111-L199 HydrophobicContact CE2-CD2 4.26Å |
| 112 | W | 98.9 | Very high | 98.7 | Very high | 71 Ų | 71 | 27.8 Ų | 27.8 | 27% | 0.269 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -65.4 | -43.2 | -173.2 | -62 | 110.9 | 0 | 0 | 0 | 112.2 | L107 K115 A116 D164 M167 E168 | L107-W112 VanDerWaalsContact O-CD1 3.3Å; L107-W112 PolarHBondContact O-N 3.4Å; W112-K115 HydrophobicContact CE3-CD 4.24Å; W112-K115 HydrophobicContact CZ3-CD 4.42Å; W112-K115 WeakPolarHBondContact O-CB 3.36Å; W112-K115 PolarHBondContact O-N 3.34Å; W112-A116 WeakPolarHBondContact O-CB 3.39Å; W112-A116 PolarHBondContact O-N 3.44Å; W112-D164 HydrophobicContact CH2-CB 3.67Å; W112-D164 WeakPolarHBondContact CH2-OD1 3.29Å; W112-D164 HydrophobicContact CZ3-CB 4.08Å; W112-D164 WeakPolarHBondContact CZ3-OD1 3.42Å; W112-M167 HydrophobicContact CZ2-CB 3.97Å; W112-E168 HydrophobicContact CH2-CG 4.14Å; W112-E168 HydrophobicContact CZ2-CG 3.85Å |
| 113 | G | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -65.7 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I61 K108 Y111 K115 A116 V117 | I61-G113 WeakPolarHBondContact O-CA 3.39Å; K108-G113 PolarHBondContact O-N 3.06Å; Y111-G113 PolarHBondContact O-N 3.36Å; G113-K115 VanDerWaalsContact C-N 3.32Å; G113-K115 PolarHBondContact O-N 3.46Å; G113-A116 PolarHBondContact O-N 3.2Å; G113-V117 WeakPolarHBondContact O-CG2 3.39Å; G113-V117 PolarHBondContact O-N 3.3Å |
| 114 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 173.1 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | N85 T109 N110 Y111 V117 C118 E196 | N85-T114 HydrophobicContact CB-CG2 3.86Å; T109-T114 PolarHBondContact O-N 3.17Å; N110-T114 PolarHBondContact O-OG1 3.23Å; Y111-T114 PolarHBondContact O-N 3.14Å; T114-V117 PolarHBondContact O-N 2.88Å; T114-C118 PolarHBondContact O-N 3.3Å; T114-C118 PolarHBondContact O-SG 3.42Å; T114-E196 HydrophobicContact CG2-CG 4.32Å; T114-E196 PolarHBondContact OG1-OE1 2.93Å |
| 115 | K | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 8% | 0.078 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.2 | -177.3 | -169.9 | 170.7 | -163.9 | 0 | 111.7 | Y111 W112 G113 V117 C118 E119 D164 L199 | Y111-K115 HydrophobicContact CE1-CD 4.41Å; Y111-K115 VanDerWaalsContact O-CB 3.28Å; Y111-K115 WeakPolarHBondContact O-CB 3.45Å; Y111-K115 PolarHBondContact O-N 3.35Å; W112-K115 HydrophobicContact CE3-CD 4.24Å; W112-K115 HydrophobicContact CZ3-CD 4.42Å; W112-K115 WeakPolarHBondContact O-CB 3.36Å; W112-K115 PolarHBondContact O-N 3.34Å; G113-K115 VanDerWaalsContact C-N 3.32Å; G113-K115 PolarHBondContact O-N 3.46Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 3.43Å; K115-C118 WeakPolarHBondContact O-CB 3.3Å; K115-C118 PolarHBondContact O-N 3.31Å; K115-C118 VanDerWaalsContact O-N 3.14Å; K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 HydrophobicContact CG-CG 4.39Å; K115-E119 WeakPolarHBondContact O-CG 3.12Å; K115-E119 PolarHBondContact O-N 3.24Å; K115-D164 WeakPolarHBondContact CE-OD1 3.48Å; K115-D164 IonicContact NZ-OD1 2.83Å; K115-D164 PolarHBondContact NZ-OD1 3.35Å; K115-D164 IonicContact NZ-OD2 3.99Å; K115-D164 PolarHBondContact NZ-OD2 3.03Å; K115-L199 HydrophobicContact CB-CD2 3.7Å; K115-L199 HydrophobicContact CG-CD1 4.23Å; K115-L199 HydrophobicContact CG-CD2 4.17Å |
| 116 | A | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I67 W112 G113 E119 Q120 | I67-A116 HydrophobicContact CD1-CB 3.68Å; W112-A116 WeakPolarHBondContact O-CB 3.39Å; W112-A116 PolarHBondContact O-N 3.44Å; G113-A116 PolarHBondContact O-N 3.2Å; A116-E119 PolarHBondContact O-N 3.06Å; A116-Q120 WeakPolarHBondContact O-CB 3.49Å; A116-Q120 WeakPolarHBondContact O-CG 3.3Å; A116-Q120 PolarHBondContact O-N 3.16Å |
| 117 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 173.4 | 171 | 0 | 0 | 0 | 0 | 110.9 | T3 I61 I67 L83 G113 T114 K115 Q120 L121 | T3-V117 HydrophobicContact CG2-CG1 4.48Å; I61-V117 HydrophobicContact CB-CG2 3.74Å; I61-V117 HydrophobicContact CG2-CG2 3.57Å; I67-V117 HydrophobicContact CD1-CG2 4.08Å; I67-V117 HydrophobicContact CG1-CG2 4.11Å; L83-V117 HydrophobicContact CD1-CG1 4.23Å; G113-V117 WeakPolarHBondContact O-CG2 3.39Å; G113-V117 PolarHBondContact O-N 3.3Å; T114-V117 PolarHBondContact O-N 2.88Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 3.43Å; V117-Q120 PolarHBondContact O-N 3.34Å; V117-L121 HydrophobicContact CG1-CD1 3.64Å; V117-L121 HydrophobicContact CG1-CG 4.29Å; V117-L121 VanDerWaalsContact O-CB 3.3Å; V117-L121 WeakPolarHBondContact O-CB 3.49Å; V117-L121 VanDerWaalsContact O-CG 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.07Å; V117-L121 PolarHBondContact O-N 3.48Å |
| 118 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 177.5 | -74 | 0 | 0 | 0 | 0 | 111.7 | N85 T114 K115 Q120 L121 F122 Q203 | N85-C118 PolarHBondContact ND2-SG 3.38Å; T114-C118 PolarHBondContact O-N 3.3Å; T114-C118 PolarHBondContact O-SG 3.42Å; K115-C118 WeakPolarHBondContact O-CB 3.3Å; K115-C118 PolarHBondContact O-N 3.31Å; K115-C118 VanDerWaalsContact O-N 3.14Å; C118-Q120 VanDerWaalsContact C-N 3.28Å; C118-Q120 PolarHBondContact O-N 3.46Å; C118-L121 PolarHBondContact O-N 2.85Å; C118-F122 HydrophobicContact CB-CD1 3.87Å; C118-F122 HydrophobicContact CB-CE1 3.43Å; C118-F122 VanDerWaalsContact CB-CE1 3.43Å; C118-F122 HydrophobicContact CB-CE2 4.42Å; C118-F122 HydrophobicContact CB-CZ 3.75Å; C118-F122 WeakPolarHBondContact O-CB 3.23Å; C118-F122 WeakPolarHBondContact O-CD1 3.38Å; C118-F122 WeakPolarHBondContact O-CG 3.13Å; C118-F122 PolarHBondContact O-N 3.28Å; C118-F122 VanDerWaalsContact SG-CE1 3.54Å; C118-Q203 PolarHBondContact SG-NE2 3.28Å; C118-Q203 VanDerWaalsContact SG-NE2 3.39Å |
| 119 | E | 98.5 | Very high | 98.6 | Very high | 76 Ų | 76 | 36.9 Ų | 36.9 | 36% | 0.355 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.9 | -39.5 | -179.1 | -72.2 | -179.2 | 153.3 | 0 | 0 | 112.4 | K115 A116 P123 K160 | K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 HydrophobicContact CG-CG 4.39Å; K115-E119 WeakPolarHBondContact O-CG 3.12Å; K115-E119 PolarHBondContact O-N 3.24Å; A116-E119 PolarHBondContact O-N 3.06Å; E119-P123 WeakPolarHBondContact O-CD 3.49Å; E119-K160 WeakPolarHBondContact OE1-CD 3.11Å; E119-K160 WeakPolarHBondContact OE1-CE 3.25Å; E119-K160 IonicContact OE1-NZ 2.76Å; E119-K160 PolarHBondContact OE1-NZ 2.77Å |
| 120 | Q | 98.7 | Very high | 98.6 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -77 | -32.3 | 179.3 | -67.8 | -56.3 | -31.5 | 0 | 0 | 113.8 | I67 L68 K71 A116 V117 C118 | I67-Q120 HydrophobicContact CG2-CB 3.59Å; I67-Q120 HydrophobicContact CG2-CG 3.66Å; L68-Q120 HydrophobicContact CD2-CG 4.49Å; K71-Q120 HydrophobicContact CD-CB 4.22Å; K71-Q120 VanDerWaalsContact CE-O 3.28Å; K71-Q120 WeakPolarHBondContact CE-O 3.34Å; A116-Q120 WeakPolarHBondContact O-CB 3.49Å; A116-Q120 WeakPolarHBondContact O-CG 3.3Å; A116-Q120 PolarHBondContact O-N 3.16Å; V117-Q120 PolarHBondContact O-N 3.34Å; C118-Q120 VanDerWaalsContact C-N 3.28Å; C118-Q120 PolarHBondContact O-N 3.46Å |
| 121 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -99.8 | -17.8 | -173.4 | -60.3 | -174.9 | 0 | 0 | 0 | 114.2 | M1 F70 K71 L80 L83 V117 C118 P123 L124 L125 | M1-L121 HydrophobicContact SD-CD1 3.97Å; F70-L121 HydrophobicContact CD1-CD1 4.06Å; F70-L121 HydrophobicContact CD1-CD2 4.24Å; F70-L121 HydrophobicContact CE1-CD1 3.86Å; K71-L121 HydrophobicContact CB-CD2 4.01Å; K71-L121 HydrophobicContact CG-CD2 4.3Å; L80-L121 HydrophobicContact CD1-CB 4.13Å; L80-L121 HydrophobicContact CD1-CD1 3.97Å; L80-L121 HydrophobicContact CD1-CG 4.46Å; L83-L121 HydrophobicContact CD1-CD1 4.19Å; L83-L121 HydrophobicContact CD2-CB 4.44Å; V117-L121 HydrophobicContact CG1-CD1 3.64Å; V117-L121 HydrophobicContact CG1-CG 4.29Å; V117-L121 VanDerWaalsContact O-CB 3.3Å; V117-L121 WeakPolarHBondContact O-CB 3.49Å; V117-L121 VanDerWaalsContact O-CG 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.07Å; V117-L121 PolarHBondContact O-N 3.48Å; C118-L121 PolarHBondContact O-N 2.85Å; L121-P123 VanDerWaalsContact C-CD 3.48Å; L121-P123 VanDerWaalsContact C-N 3.35Å; L121-L124 HydrophobicContact CD2-CD1 4.26Å; L121-L124 WeakPolarHBondContact O-CA 3.38Å; L121-L124 WeakPolarHBondContact O-CB 3.28Å; L121-L124 PolarHBondContact O-N 2.89Å; L121-L125 PolarHBondContact O-N 3.04Å |
| 122 | F | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -57.7 | -38.4 | 178.7 | -86.2 | 22.9 | 0 | 0 | 0 | 114.1 | L83 C118 L124 L125 V131 Q203 L207 R212 V217 | L83-F122 HydrophobicContact CD2-CE1 4.33Å; C118-F122 HydrophobicContact CB-CD1 3.87Å; C118-F122 HydrophobicContact CB-CE1 3.43Å; C118-F122 VanDerWaalsContact CB-CE1 3.43Å; C118-F122 HydrophobicContact CB-CE2 4.42Å; C118-F122 HydrophobicContact CB-CZ 3.75Å; C118-F122 WeakPolarHBondContact O-CB 3.23Å; C118-F122 WeakPolarHBondContact O-CD1 3.38Å; C118-F122 WeakPolarHBondContact O-CG 3.13Å; C118-F122 PolarHBondContact O-N 3.28Å; C118-F122 VanDerWaalsContact SG-CE1 3.54Å; F122-L124 PolarHBondContact O-N 2.86Å; F122-L125 HydrophobicContact CB-CD1 4.28Å; F122-L125 HydrophobicContact CD1-CD1 3.65Å; F122-L125 HydrophobicContact CE1-CD1 4.14Å; F122-L125 HydrophobicContact CG-CD1 3.98Å; F122-L125 WeakPolarHBondContact O-CB 3.47Å; F122-L125 PolarHBondContact O-N 3.47Å; F122-V131 HydrophobicContact CE1-CG1 4.05Å; F122-V131 HydrophobicContact CE1-CG2 3.86Å; F122-V131 HydrophobicContact CZ-CG1 4.37Å; F122-V131 HydrophobicContact CZ-CG2 4.34Å; F122-Q203 HydrophobicContact CE2-CB 3.8Å; F122-Q203 HydrophobicContact CE2-CG 3.74Å; F122-Q203 HydrophobicContact CZ-CB 4.02Å; F122-Q203 HydrophobicContact CZ-CG 3.93Å; F122-L207 HydrophobicContact CD2-CD1 4.47Å; F122-L207 HydrophobicContact CD2-CD2 4.36Å; F122-L207 HydrophobicContact CD2-CG 4.49Å; F122-L207 HydrophobicContact CE2-CD1 4.14Å; F122-L207 HydrophobicContact CE2-CG 4.46Å; F122-R212 PolarHBondContact O-NH1 3.45Å; F122-V217 HydrophobicContact CZ-CG2 4.3Å |
| 123 | P | 98.1 | Very high | 98.6 | Very high | 95 Ų | 95 | 34.1 Ų | 34.1 | 62% | 0.617 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | -62.1 | -21.5 | 172.9 | -25.5 | 36.3 | 0 | 0 | 0 | 113.9 | E119 L121 | E119-P123 WeakPolarHBondContact O-CD 3.49Å; L121-P123 VanDerWaalsContact C-CD 3.48Å; L121-P123 VanDerWaalsContact C-N 3.35Å |
| 124 | L | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -95.3 | -0.6 | -179.1 | -54.3 | -177.7 | 0 | 0 | 0 | 113 | K71 I74 E75 G79 L80 L121 F122 R126 | K71-L124 HydrophobicContact CG-CD1 3.74Å; K71-L124 WeakPolarHBondContact O-CD1 3.29Å; I74-L124 HydrophobicContact CB-CD1 4.13Å; I74-L124 HydrophobicContact CG2-CB 4.28Å; I74-L124 HydrophobicContact CG2-CD1 3.79Å; E75-L124 HydrophobicContact CB-CD1 4.05Å; E75-L124 HydrophobicContact CB-CD2 3.96Å; E75-L124 HydrophobicContact CG-CD2 3.98Å; G79-L124 CarbonylContact C-O 3.54Å; G79-L124 WeakPolarHBondContact CA-O 3.37Å; L80-L124 PolarHBondContact N-O 2.96Å; L121-L124 HydrophobicContact CD2-CD1 4.26Å; L121-L124 WeakPolarHBondContact O-CA 3.38Å; L121-L124 WeakPolarHBondContact O-CB 3.28Å; L121-L124 PolarHBondContact O-N 2.89Å; F122-L124 PolarHBondContact O-N 2.86Å; L124-R126 PolarHBondContact O-N 2.86Å |
| 125 | L | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.9 | 176.1 | -71.5 | 171.6 | 0 | 0 | 0 | 110 | L80 L83 L121 F122 V131 V215 | L80-L125 HydrophobicContact CB-CD2 4.15Å; L80-L125 CarbonylContact O-C 3.49Å; L80-L125 WeakPolarHBondContact O-CA 3.2Å; L83-L125 HydrophobicContact CB-CD2 4.45Å; L121-L125 PolarHBondContact O-N 3.04Å; F122-L125 HydrophobicContact CB-CD1 4.28Å; F122-L125 HydrophobicContact CD1-CD1 3.65Å; F122-L125 HydrophobicContact CE1-CD1 4.14Å; F122-L125 HydrophobicContact CG-CD1 3.98Å; F122-L125 WeakPolarHBondContact O-CB 3.47Å; F122-L125 PolarHBondContact O-N 3.47Å; L125-V131 HydrophobicContact CD1-CG2 3.66Å; L125-V131 HydrophobicContact CD2-CG2 4.04Å; L125-V215 HydrophobicContact CD1-CG1 4.03Å |
| 126 | R | 98 | Very high | 98.6 | Very high | 97 Ų | 97 | 34.1 Ų | 34.1 | 37% | 0.366 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 170.7 | 175.9 | -72 | -175.4 | 170.3 | 122.8 | -4.5 | 111.6 | N77 G78 G79 L80 D81 L124 N128 G129 | N77-R126 PolarHBondContact O-NH2 3.36Å; G78-R126 VanDerWaalsContact C-CZ 3.43Å; G78-R126 VanDerWaalsContact CA-NH2 3.25Å; G78-R126 PolarHBondContact O-NE 3.27Å; G78-R126 PolarHBondContact O-NH2 3.43Å; G79-R126 PolarHBondContact O-NH1 3.21Å; L80-R126 PolarHBondContact O-N 3.27Å; D81-R126 VanDerWaalsContact OD1-CD 3.31Å; D81-R126 WeakPolarHBondContact OD1-CD 3.48Å; D81-R126 IonicContact OD2-NH1 3.16Å; D81-R126 PolarHBondContact OD2-NH1 3.36Å; D81-R126 VanDerWaalsContact OD2-NH1 3.16Å; L124-R126 PolarHBondContact O-N 2.86Å; R126-N128 PolarHBondContact O-N 2.86Å; R126-G129 PolarHBondContact O-N 3.02Å |
| 127 | R | 97.5 | Very high | 98.5 | Very high | 194 Ų | 194 | 35.4 Ų | 35.4 | 73% | 0.732 | 17% | 0.165 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -54 | 136 | 173.3 | -168.4 | 178.2 | 73.6 | 97.9 | -3.8 | 110.3 | G129 D214 | R127-G129 PolarHBondContact O-N 3.43Å; R127-D214 WeakPolarHBondContact CA-OD2 3.22Å; R127-D214 WeakPolarHBondContact CG-OD2 3.43Å |
| 128 | N | 97.5 | Very high | 98.4 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62 | 25.8 | -174.8 | -52.7 | -41.9 | 0 | 0 | 0 | 114.3 | R126 R130 D214 | R126-N128 PolarHBondContact O-N 2.86Å; N128-R130 PolarHBondContact O-NH1 3.4Å; N128-D214 WeakPolarHBondContact CA-O 3.42Å; N128-D214 PolarHBondContact N-OD2 2.85Å |
| 129 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 152.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D81 R126 R127 V215 I216 | D81-G129 CarbonylContact O-C 3.33Å; D81-G129 VanDerWaalsContact O-CA 3.29Å; D81-G129 WeakPolarHBondContact O-CA 3.5Å; R126-G129 PolarHBondContact O-N 3.02Å; R127-G129 PolarHBondContact O-N 3.43Å; G129-V215 WeakPolarHBondContact O-CA 3.47Å; G129-I216 PolarHBondContact O-N 2.73Å |
| 130 | R | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.7 | 174.4 | -61.8 | -66.3 | 179.7 | -93.8 | -8.8 | 110.4 | D81 I82 L83 N128 A253 | D81-R130 PolarHBondContact O-N 3.41Å; I82-R130 CarbonylContact C-O 3.55Å; I82-R130 WeakPolarHBondContact CA-O 3.27Å; I82-R130 HydrophobicContact CG1-CB 4.3Å; L83-R130 PolarHBondContact N-O 2.86Å; N128-R130 PolarHBondContact O-NH1 3.4Å; R130-A253 VanDerWaalsContact NH2-CA 3.34Å |
| 131 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.5 | 172.1 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | L83 F122 L125 I216 V217 N218 | L83-V131 HydrophobicContact CB-CG1 4.47Å; L83-V131 HydrophobicContact CB-CG2 4.31Å; L83-V131 HydrophobicContact CD2-CG1 4.13Å; L83-V131 HydrophobicContact CD2-CG2 4.48Å; L83-V131 HydrophobicContact CG-CG1 4.27Å; L83-V131 CarbonylContact O-C 3.51Å; L83-V131 VanDerWaalsContact O-CA 3.28Å; L83-V131 WeakPolarHBondContact O-CA 3.19Å; F122-V131 HydrophobicContact CE1-CG1 4.05Å; F122-V131 HydrophobicContact CE1-CG2 3.86Å; F122-V131 HydrophobicContact CZ-CG1 4.37Å; F122-V131 HydrophobicContact CZ-CG2 4.34Å; L125-V131 HydrophobicContact CD1-CG2 3.66Å; L125-V131 HydrophobicContact CD2-CG2 4.04Å; V131-I216 PolarHBondContact N-O 3.31Å; V131-V217 HydrophobicContact CB-CB 4.26Å; V131-V217 HydrophobicContact CB-CG1 3.97Å; V131-V217 HydrophobicContact CB-CG2 4.01Å; V131-V217 HydrophobicContact CG1-CG1 3.98Å; V131-V217 HydrophobicContact CG2-CG2 4.22Å; V131-V217 WeakPolarHBondContact O-CA 3.22Å; V131-N218 PolarHBondContact O-N 2.81Å |
| 132 | V | 99 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.4 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | L83 I84 N85 N218 P245 L248 A249 | L83-V132 PolarHBondContact O-N 2.9Å; I84-V132 CarbonylContact C-O 3.54Å; I84-V132 WeakPolarHBondContact CA-O 3.28Å; I84-V132 HydrophobicContact CG1-CB 4.17Å; I84-V132 HydrophobicContact CG1-CG2 4.38Å; I84-V132 HydrophobicContact CG2-CB 4.22Å; I84-V132 HydrophobicContact CG2-CG1 4.47Å; N85-V132 PolarHBondContact N-O 3.4Å; V132-N218 WeakPolarHBondContact CA-O 3.29Å; V132-P245 HydrophobicContact CG1-CB 4.21Å; V132-L248 HydrophobicContact CG1-CB 4.28Å; V132-L248 HydrophobicContact CG1-CD1 3.96Å; V132-L248 HydrophobicContact CG2-CB 3.62Å; V132-A249 HydrophobicContact CG2-CB 4.23Å |
| 133 | N | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.3 | 171.9 | -64.5 | -24.7 | 0 | 0 | 0 | 108.7 | N85 S135 E196 T200 Q203 N218 A219 C220 | N85-N133 WeakPolarHBondContact CB-OD1 3.4Å; N85-N133 PolarHBondContact ND2-OD1 3.39Å; N133-S135 VanDerWaalsContact C-N 3.33Å; N133-S135 PolarHBondContact O-N 2.95Å; N133-E196 HydrophobicContact CB-CG 4.14Å; N133-T200 PolarHBondContact ND2-OG1 2.86Å; N133-Q203 PolarHBondContact ND2-OE1 3.19Å; N133-N218 PolarHBondContact N-O 3.28Å; N133-A219 CarbonylContact O-C 3.46Å; N133-A219 VanDerWaalsContact O-CA 3.25Å; N133-A219 WeakPolarHBondContact O-CA 3.38Å; N133-C220 PolarHBondContact O-N 3.18Å |
| 134 | V | 98.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 87.2 | -179.2 | -173.1 | 0 | 0 | 0 | 0 | 109 | I13 I84 N85 N86 K193 P222 P245 | I13-V134 HydrophobicContact CD1-CG2 4.38Å; I84-V134 HydrophobicContact CG2-CG2 3.86Å; N85-V134 WeakPolarHBondContact O-CB 3.4Å; N85-V134 PolarHBondContact O-N 3.19Å; N86-V134 HydrophobicContact CB-CB 4.38Å; N86-V134 HydrophobicContact CB-CG2 3.94Å; V134-K193 PolarHBondContact O-NZ 3Å; V134-P222 HydrophobicContact CG1-CB 4.32Å; V134-P222 HydrophobicContact CG1-CG 3.85Å; V134-P245 HydrophobicContact CG2-CB 4.25Å; V134-P245 HydrophobicContact CG2-CG 4.06Å |
| 135 | S | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | trans | -82.2 | -144.2 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | N133 K193 E196 T197 C220 P222 | N133-S135 VanDerWaalsContact C-N 3.33Å; N133-S135 PolarHBondContact O-N 2.95Å; S135-K193 PolarHBondContact OG-O 3.37Å; S135-E196 VanDerWaalsContact CA-OE2 3.25Å; S135-E196 WeakPolarHBondContact CA-OE2 3.39Å; S135-T197 WeakPolarHBondContact CB-OG1 3.3Å; S135-T197 PolarHBondContact OG-OG1 3.15Å; S135-C220 CarbonylContact C-O 3.55Å; S135-C220 VanDerWaalsContact CA-O 3.24Å; S135-C220 WeakPolarHBondContact CA-O 3.34Å; S135-C220 PolarHBondContact N-O 3.21Å; S135-P222 WeakPolarHBondContact O-CD 3.49Å | ||
| 136 | S | 98.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | trans | -159.2 | 158.5 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | S138 G139 F261 | S136-S138 PolarHBondContact O-N 3.44Å; S136-S138 PolarHBondContact OG-N 3.04Å; S136-S138 VanDerWaalsContact OG-N 3.09Å; S136-G139 WeakPolarHBondContact O-CA 3.15Å; S136-G139 PolarHBondContact O-N 3.24Å; S136-F261 WeakPolarHBondContact O-CZ 3.4Å | ||
| 137 | Q | 97.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -59 | -23.4 | 162.8 | -79.9 | -177.7 | -53.2 | 0 | 0 | 112.2 | G139 L140 C221 Y263 | Q137-G139 PolarHBondContact O-N 3.47Å; Q137-L140 HydrophobicContact CB-CD1 4.14Å; Q137-L140 HydrophobicContact CG-CD1 4.14Å; Q137-L140 WeakPolarHBondContact O-CB 3.42Å; Q137-L140 WeakPolarHBondContact O-CD1 3.44Å; Q137-L140 WeakPolarHBondContact O-CG 3.45Å; Q137-L140 PolarHBondContact O-N 2.62Å; Q137-C221 HydrophobicContact CG-CB 4.03Å; Q137-C221 PolarHBondContact N-SG 3.2Å; Q137-Y263 VanDerWaalsContact NE2-CE1 3.25Å |
| 138 | S | 96.5 | Very high | 97.7 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -67 | -15 | 169 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | S136 S190 | S136-S138 PolarHBondContact O-N 3.44Å; S136-S138 PolarHBondContact OG-N 3.04Å; S136-S138 VanDerWaalsContact OG-N 3.09Å; S138-S190 WeakPolarHBondContact O-CA 3.42Å; S138-S190 VanDerWaalsContact O-CB 3.31Å; S138-S190 WeakPolarHBondContact O-CB 3.36Å |
| 139 | G | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -89.2 | 1.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S136 Q137 V194 W270 | S136-G139 WeakPolarHBondContact O-CA 3.15Å; S136-G139 PolarHBondContact O-N 3.24Å; Q137-G139 PolarHBondContact O-N 3.47Å; G139-V194 WeakPolarHBondContact O-CG2 3.46Å; G139-W270 PolarHBondContact O-NE1 3.06Å |
| 140 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -74.2 | 146.3 | 175.2 | -65 | 168.5 | 0 | 0 | 0 | 110.9 | Q137 R142 C143 F261 T268 W270 | Q137-L140 HydrophobicContact CB-CD1 4.14Å; Q137-L140 HydrophobicContact CG-CD1 4.14Å; Q137-L140 WeakPolarHBondContact O-CB 3.42Å; Q137-L140 WeakPolarHBondContact O-CD1 3.44Å; Q137-L140 WeakPolarHBondContact O-CG 3.45Å; Q137-L140 PolarHBondContact O-N 2.62Å; L140-R142 HydrophobicContact CB-CG 3.95Å; L140-R142 PolarHBondContact O-N 2.72Å; L140-R142 VanDerWaalsContact O-N 3.16Å; L140-C143 WeakPolarHBondContact O-CB 3.47Å; L140-C143 PolarHBondContact O-N 2.59Å; L140-F261 HydrophobicContact CD2-CD1 3.78Å; L140-F261 HydrophobicContact CD2-CE1 3.58Å; L140-F261 HydrophobicContact CD2-CG 4.43Å; L140-F261 HydrophobicContact CD2-CZ 4.05Å; L140-F261 HydrophobicContact CG-CE1 4.29Å; L140-F261 HydrophobicContact CG-CZ 4.4Å; L140-T268 HydrophobicContact CD2-CG2 4.48Å; L140-W270 WeakPolarHBondContact CA-O 3.1Å; L140-W270 WeakPolarHBondContact CD2-O 3.18Å |
| 141 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -67.4 | -18.1 | -178.3 | -59.2 | 178.2 | 0 | 0 | 0 | 113.6 | C143 I144 K150 L153 E154 V194 W270 R271 | L141-C143 PolarHBondContact O-N 3.21Å; L141-C143 VanDerWaalsContact O-N 3.13Å; L141-I144 HydrophobicContact CD2-CD1 4.22Å; L141-I144 WeakPolarHBondContact O-CB 3.43Å; L141-I144 PolarHBondContact O-N 3.32Å; L141-K150 HydrophobicContact CB-CB 4.45Å; L141-K150 HydrophobicContact CB-CD 4.25Å; L141-K150 HydrophobicContact CB-CG 4.04Å; L141-K150 HydrophobicContact CD1-CB 4.33Å; L141-K150 VanDerWaalsContact O-CE 3.28Å; L141-K150 WeakPolarHBondContact O-CE 3.3Å; L141-L153 HydrophobicContact CD2-CB 3.94Å; L141-L153 HydrophobicContact CD2-CD1 3.85Å; L141-E154 HydrophobicContact CD1-CB 3.83Å; L141-E154 HydrophobicContact CD1-CG 4.43Å; L141-V194 HydrophobicContact CD2-CG1 3.97Å; L141-W270 HydrophobicContact CD1-CD2 4.03Å; L141-W270 HydrophobicContact CD1-CE3 3.72Å; L141-W270 HydrophobicContact CD1-CH2 4.21Å; L141-W270 HydrophobicContact CD1-CZ2 4.45Å; L141-W270 HydrophobicContact CD1-CZ3 3.85Å; L141-W270 HydrophobicContact CD2-CD2 4.37Å; L141-W270 HydrophobicContact CD2-CH2 3.77Å; L141-W270 HydrophobicContact CD2-CZ2 3.53Å; L141-W270 HydrophobicContact CD2-CZ3 4.27Å; L141-W270 HydrophobicContact CG-CD2 3.82Å; L141-W270 HydrophobicContact CG-CE3 4.02Å; L141-W270 HydrophobicContact CG-CG 4.43Å; L141-W270 HydrophobicContact CG-CH2 4.17Å; L141-W270 HydrophobicContact CG-CZ2 3.94Å; L141-W270 HydrophobicContact CG-CZ3 4.21Å; L141-W270 PolarHBondContact N-O 3.46Å; L141-R271 HydrophobicContact CD1-CB 4.5Å |
| 142 | R | 96.3 | Very high | 97.7 | Very high | 134 Ų | 134 | 45 Ų | 45 | 51% | 0.506 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -59.8 | -17.8 | 169 | 73.4 | -174.6 | -173.9 | -175.5 | 2.4 | 113.9 | L140 I144 R271 T272 | L140-R142 HydrophobicContact CB-CG 3.95Å; L140-R142 PolarHBondContact O-N 2.72Å; L140-R142 VanDerWaalsContact O-N 3.16Å; R142-I144 VanDerWaalsContact C-N 3.28Å; R142-R271 PolarHBondContact N-O 2.78Å; R142-T272 WeakPolarHBondContact CD-O 3.46Å; R142-T272 PolarHBondContact NH1-O 3.07Å |
| 143 | C | 94.9 | Very high | 97.7 | Very high | 48 Ų | 48 | 45 Ų | 45 | 32% | 0.324 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -79.8 | -11.1 | 173.1 | -66.8 | 0 | 0 | 0 | 0 | 113 | L140 L141 | L140-C143 WeakPolarHBondContact O-CB 3.47Å; L140-C143 PolarHBondContact O-N 2.59Å; L141-C143 PolarHBondContact O-N 3.21Å; L141-C143 VanDerWaalsContact O-N 3.13Å |
| 144 | I | 97.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -96 | 137.7 | 171.2 | -64.3 | -179 | 0 | 0 | 0 | 107.9 | L141 R142 D146 L149 K150 L153 P185 M191 V194 | L141-I144 HydrophobicContact CD2-CD1 4.22Å; L141-I144 WeakPolarHBondContact O-CB 3.43Å; L141-I144 PolarHBondContact O-N 3.32Å; R142-I144 VanDerWaalsContact C-N 3.28Å; I144-D146 HydrophobicContact CG2-CB 4.45Å; I144-D146 WeakPolarHBondContact CG2-O 3.44Å; I144-L149 HydrophobicContact CD1-CD2 4.08Å; I144-L149 HydrophobicContact CD1-CG 4.28Å; I144-L149 HydrophobicContact CG2-CB 4.25Å; I144-L149 HydrophobicContact CG2-CD2 3.84Å; I144-L149 HydrophobicContact CG2-CG 4.14Å; I144-K150 HydrophobicContact CB-CG 4.07Å; I144-K150 HydrophobicContact CG2-CG 3.96Å; I144-K150 WeakPolarHBondContact O-CE 3.47Å; I144-K150 PolarHBondContact O-NZ 2.87Å; I144-L153 HydrophobicContact CD1-CD1 3.35Å; I144-P185 HydrophobicContact CG1-CG 4.37Å; I144-M191 HydrophobicContact CD1-CE 4.47Å; I144-M191 HydrophobicContact CD1-SD 4.22Å; I144-V194 HydrophobicContact CD1-CB 4.46Å; I144-V194 HydrophobicContact CD1-CG1 3.82Å; I144-V194 HydrophobicContact CD1-CG2 4.06Å; I144-V194 HydrophobicContact CG1-CG2 4.38Å | ||
| 145 | K | 95.5 | Very high | 97.7 | Very high | 193 Ų | 193 | 49.6 Ų | 49.6 | 84% | 0.839 | 25% | 0.246 | S | C | * | . | trans | -90.4 | -39.9 | 176.6 | -69.4 | -178 | -179.4 | 175.5 | 0 | 111.8 | E147 | K145-E147 PolarHBondContact O-N 3.29Š| ||
| 146 | D | 97.7 | Very high | 97.6 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | trans | -68.2 | 121.2 | -176.7 | -175.9 | -98.9 | 0 | 0 | 0 | 112.2 | I144 A148 L149 K150 G183 | I144-D146 HydrophobicContact CG2-CB 4.45Å; I144-D146 WeakPolarHBondContact CG2-O 3.44Å; D146-A148 WeakPolarHBondContact OD1-CB 3.36Å; D146-A148 PolarHBondContact OD1-N 2.89Å; D146-L149 HydrophobicContact CB-CB 4.11Å; D146-L149 VanDerWaalsContact OD1-CB 3.29Å; D146-L149 WeakPolarHBondContact OD1-CB 3.2Å; D146-L149 PolarHBondContact OD1-N 2.96Å; D146-K150 WeakPolarHBondContact O-CG 3.49Å; D146-K150 PolarHBondContact O-N 3.07Å; D146-G183 WeakPolarHBondContact CB-O 3.27Å | ||
| 147 | E | 97.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.9 | -32.9 | -173.1 | -162.8 | 56.4 | -144.8 | 0 | 0 | 112.3 | K145 L149 K150 N151 R271 | K145-E147 PolarHBondContact O-N 3.29Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-K150 PolarHBondContact O-N 3.47Å; E147-K150 WeakPolarHBondContact OE2-CD 3.4Å; E147-K150 IonicContact OE2-NZ 3.89Å; E147-K150 PolarHBondContact OE2-NZ 2.71Å; E147-N151 WeakPolarHBondContact O-CB 3.38Å; E147-N151 PolarHBondContact O-N 2.78Å; E147-N151 PolarHBondContact O-ND2 2.93Å; E147-N151 PolarHBondContact O-OD1 3.4Å; E147-R271 IonicContact OE1-CZ 2.71Å; E147-R271 IonicContact OE1-NH1 3.48Å; E147-R271 PolarHBondContact OE1-NH1 2.83Å; E147-R271 IonicContact OE1-NH2 2.69Å; E147-R271 PolarHBondContact OE1-NH2 2.96Å; E147-R271 IonicContact OE2-NH1 2.73Å |
| 148 | A | 97.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 49% | 0.488 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | D146 N151 R152 | D146-A148 WeakPolarHBondContact OD1-CB 3.36Å; D146-A148 PolarHBondContact OD1-N 2.89Å; A148-N151 PolarHBondContact O-N 3.4Å; A148-R152 VanDerWaalsContact O-CG 3.31Å; A148-R152 WeakPolarHBondContact O-CG 3.29Å; A148-R152 PolarHBondContact O-N 2.97Å |
| 149 | L | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175 | 179.2 | 57.5 | 0 | 0 | 0 | 111.6 | I144 D146 E147 N151 R152 L153 I166 Y184 | I144-L149 HydrophobicContact CD1-CD2 4.08Å; I144-L149 HydrophobicContact CD1-CG 4.28Å; I144-L149 HydrophobicContact CG2-CB 4.25Å; I144-L149 HydrophobicContact CG2-CD2 3.84Å; I144-L149 HydrophobicContact CG2-CG 4.14Å; D146-L149 HydrophobicContact CB-CB 4.11Å; D146-L149 VanDerWaalsContact OD1-CB 3.29Å; D146-L149 WeakPolarHBondContact OD1-CB 3.2Å; D146-L149 PolarHBondContact OD1-N 2.96Å; E147-L149 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 2.57Å; L149-R152 PolarHBondContact O-N 3.16Å; L149-L153 HydrophobicContact CD1-CD1 3.81Å; L149-L153 HydrophobicContact CD1-CG 3.99Å; L149-L153 HydrophobicContact CG-CD1 3.77Å; L149-L153 HydrophobicContact CG-CG 4.41Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 WeakPolarHBondContact O-CD1 3.45Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 3.37Å; L149-I166 HydrophobicContact CD1-CG2 3.99Å; L149-Y184 HydrophobicContact CD1-CE1 4.12Å; L149-Y184 HydrophobicContact CD2-CD1 3.47Å; L149-Y184 VanDerWaalsContact CD2-CD1 3.47Å; L149-Y184 HydrophobicContact CD2-CE1 3.68Å; L149-Y184 HydrophobicContact CD2-CG 4.44Å |
| 150 | K | 98.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.5 | -64.6 | -178.9 | -159.7 | 150.5 | 0 | 111.7 | L141 I144 D146 E147 R152 L153 E154 R271 | L141-K150 HydrophobicContact CB-CB 4.45Å; L141-K150 HydrophobicContact CB-CD 4.25Å; L141-K150 HydrophobicContact CB-CG 4.04Å; L141-K150 HydrophobicContact CD1-CB 4.33Å; L141-K150 VanDerWaalsContact O-CE 3.28Å; L141-K150 WeakPolarHBondContact O-CE 3.3Å; I144-K150 HydrophobicContact CB-CG 4.07Å; I144-K150 HydrophobicContact CG2-CG 3.96Å; I144-K150 WeakPolarHBondContact O-CE 3.47Å; I144-K150 PolarHBondContact O-NZ 2.87Å; D146-K150 WeakPolarHBondContact O-CG 3.49Å; D146-K150 PolarHBondContact O-N 3.07Å; E147-K150 PolarHBondContact O-N 3.47Å; E147-K150 WeakPolarHBondContact OE2-CD 3.4Å; E147-K150 IonicContact OE2-NZ 3.89Å; E147-K150 PolarHBondContact OE2-NZ 2.71Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.49Å; K150-L153 PolarHBondContact O-N 3.1Å; K150-L153 VanDerWaalsContact O-N 3.16Å; K150-E154 WeakPolarHBondContact O-CG 3.18Å; K150-E154 PolarHBondContact O-N 3.14Å; K150-R271 VanDerWaalsContact CB-NH2 3.3Å |
| 151 | N | 98.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 179.8 | -67.4 | -16.1 | 0 | 0 | 0 | 111.7 | E147 A148 L149 S155 R271 | E147-N151 WeakPolarHBondContact O-CB 3.38Å; E147-N151 PolarHBondContact O-N 2.78Å; E147-N151 PolarHBondContact O-ND2 2.93Å; E147-N151 PolarHBondContact O-OD1 3.4Å; A148-N151 PolarHBondContact O-N 3.4Å; L149-N151 PolarHBondContact O-N 2.57Å; N151-S155 PolarHBondContact O-N 3.16Å; N151-R271 PolarHBondContact OD1-NH2 3.08Å |
| 152 | R | 98.4 | Very high | 97.8 | Very high | 126 Ų | 126 | 68.5 Ų | 68.5 | 48% | 0.475 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 173.8 | -73.3 | 174.4 | 67.4 | -166.1 | -0.2 | 111.5 | A148 L149 K150 E154 S155 | A148-R152 VanDerWaalsContact O-CG 3.31Å; A148-R152 WeakPolarHBondContact O-CG 3.29Å; A148-R152 PolarHBondContact O-N 2.97Å; L149-R152 PolarHBondContact O-N 3.16Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.49Å; R152-E154 PolarHBondContact O-N 3.39Å; R152-S155 WeakPolarHBondContact O-CB 3.49Å; R152-S155 PolarHBondContact O-N 3.37Å |
| 153 | L | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | -175.8 | -75.1 | 165.8 | 0 | 0 | 0 | 113.7 | L141 I144 L149 K150 L158 L163 I166 M191 V194 A198 W270 | L141-L153 HydrophobicContact CD2-CB 3.94Å; L141-L153 HydrophobicContact CD2-CD1 3.85Å; I144-L153 HydrophobicContact CD1-CD1 3.35Å; L149-L153 HydrophobicContact CD1-CD1 3.81Å; L149-L153 HydrophobicContact CD1-CG 3.99Å; L149-L153 HydrophobicContact CG-CD1 3.77Å; L149-L153 HydrophobicContact CG-CG 4.41Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 WeakPolarHBondContact O-CD1 3.45Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 3.37Å; K150-L153 PolarHBondContact O-N 3.1Å; K150-L153 VanDerWaalsContact O-N 3.16Å; L153-L158 WeakPolarHBondContact O-CD2 3.49Å; L153-L163 HydrophobicContact CD2-CD1 3.75Å; L153-I166 HydrophobicContact CD2-CD1 4.21Å; L153-I166 HydrophobicContact CD2-CG2 4.45Å; L153-M191 HydrophobicContact CD1-CE 4.38Å; L153-V194 HydrophobicContact CD1-CG1 3.62Å; L153-V194 HydrophobicContact CD2-CG1 4.24Å; L153-V194 HydrophobicContact CG-CG1 4.49Å; L153-A198 HydrophobicContact CD2-CB 4.46Å; L153-W270 HydrophobicContact CB-CH2 4.03Å; L153-W270 WeakPolarHBondContact O-CZ3 3.46Å |
| 154 | E | 97.8 | Very high | 98.1 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.1 | 176.9 | 75.5 | -176.1 | 172.5 | 0 | 0 | 114.8 | L141 K150 R152 W270 R271 | L141-E154 HydrophobicContact CD1-CB 3.83Å; L141-E154 HydrophobicContact CD1-CG 4.43Å; K150-E154 WeakPolarHBondContact O-CG 3.18Å; K150-E154 PolarHBondContact O-N 3.14Å; R152-E154 PolarHBondContact O-N 3.39Å; E154-W270 HydrophobicContact CB-CE3 4.13Å; E154-W270 HydrophobicContact CB-CZ3 3.92Å; E154-R271 VanDerWaalsContact CD-NH2 3.31Å; E154-R271 IonicContact OE1-CZ 3.92Å; E154-R271 IonicContact OE1-NE 2.72Å; E154-R271 PolarHBondContact OE1-NE 2.63Å; E154-R271 IonicContact OE1-NH2 2.77Å; E154-R271 PolarHBondContact OE1-NH2 3.4Å; E154-R271 IonicContact OE2-CZ 3.75Å; E154-R271 IonicContact OE2-NE 3.6Å; E154-R271 PolarHBondContact OE2-NE 2.8Å; E154-R271 IonicContact OE2-NH2 3.28Å |
| 155 | S | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 63 Ų | 63 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | trans | -56.6 | 132.7 | -177.7 | 178.4 | 0 | 0 | 0 | 0 | 111 | N151 R152 S157 L158 R205 | N151-S155 PolarHBondContact O-N 3.16Å; R152-S155 WeakPolarHBondContact O-CB 3.49Å; R152-S155 PolarHBondContact O-N 3.37Å; S155-S157 PolarHBondContact O-N 3.17Å; S155-S157 VanDerWaalsContact O-N 3.14Å; S155-S157 PolarHBondContact OG-N 3.46Å; S155-S157 VanDerWaalsContact OG-N 3.13Å; S155-S157 PolarHBondContact OG-OG 3.01Å; S155-L158 WeakPolarHBondContact O-CB 3.49Å; S155-L158 PolarHBondContact O-N 3.08Å; S155-R205 PolarHBondContact O-NH1 3.36Å; S155-R205 VanDerWaalsContact O-NH1 3.13Å; S155-R205 PolarHBondContact O-NH2 3.02Å | ||
| 156 | P | 97.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 53.8 Ų | 53.8 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.4 | 171.9 | 26.1 | -33.7 | 0 | 0 | 0 | 112.5 | R205 | P156-R205 VanDerWaalsContact CA-NH1 3.29Å; P156-R205 WeakPolarHBondContact O-CD 3.44Å; P156-R205 PolarHBondContact O-NE 2.72Å; P156-R205 PolarHBondContact O-NH1 3.18Å |
| 157 | S | 97.5 | Very high | 98.4 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8.3 | 179.2 | 72.7 | 0 | 0 | 0 | 0 | 114.5 | S155 T159 | S155-S157 PolarHBondContact O-N 3.17Å; S155-S157 VanDerWaalsContact O-N 3.14Å; S155-S157 PolarHBondContact OG-N 3.46Å; S155-S157 VanDerWaalsContact OG-N 3.13Å; S155-S157 PolarHBondContact OG-OG 3.01Å; S157-T159 PolarHBondContact O-N 2.8Å |
| 158 | L | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | trans | -54.1 | 124.3 | -176.8 | -179.8 | 69.4 | 0 | 0 | 0 | 110.4 | L153 S155 E162 L163 I166 A198 I202 R205 | L153-L158 WeakPolarHBondContact O-CD2 3.49Å; S155-L158 WeakPolarHBondContact O-CB 3.49Å; S155-L158 PolarHBondContact O-N 3.08Å; L158-E162 WeakPolarHBondContact CA-OE2 3.35Å; L158-E162 HydrophobicContact CD1-CB 3.65Å; L158-L163 HydrophobicContact CD2-CB 4.29Å; L158-L163 HydrophobicContact CD2-CD1 4.28Å; L158-L163 HydrophobicContact CG-CB 4.47Å; L158-I166 HydrophobicContact CD1-CD1 4.33Å; L158-A198 HydrophobicContact CD2-CB 4.46Å; L158-I202 HydrophobicContact CD2-CD1 3.99Å; L158-I202 HydrophobicContact CG-CD1 4.02Å; L158-R205 PolarHBondContact O-NH2 3.25Å | ||
| 159 | T | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | trans | -89.7 | 164.5 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | S157 E161 E162 L163 | S157-T159 PolarHBondContact O-N 2.8Å; T159-E161 VanDerWaalsContact C-N 3.29Å; T159-E162 PolarHBondContact N-OE2 3.45Å; T159-E162 PolarHBondContact O-N 2.8Å; T159-E162 WeakPolarHBondContact OG1-CB 3.5Å; T159-E162 VanDerWaalsContact OG1-CG 3.27Å; T159-E162 WeakPolarHBondContact OG1-CG 3.11Å; T159-E162 PolarHBondContact OG1-N 2.77Å; T159-L163 PolarHBondContact O-N 2.9Å | ||
| 160 | K | 98.4 | Very high | 98.5 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.4 | -174.4 | -176.8 | 70.4 | 177.4 | 0 | 110.4 | E119 L163 D164 I202 | E119-K160 WeakPolarHBondContact OE1-CD 3.11Å; E119-K160 WeakPolarHBondContact OE1-CE 3.25Å; E119-K160 IonicContact OE1-NZ 2.76Å; E119-K160 PolarHBondContact OE1-NZ 2.77Å; K160-L163 PolarHBondContact O-N 2.62Å; K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 PolarHBondContact O-N 2.97Å; K160-I202 HydrophobicContact CB-CG2 4.12Å |
| 161 | E | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 50.3 Ų | 50.3 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | -179.9 | -62.3 | 67.3 | -145 | 0 | 0 | 111.5 | T159 S165 | T159-E161 VanDerWaalsContact C-N 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.32Å; E161-S165 PolarHBondContact O-N 3.48Å |
| 162 | E | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 172.5 | -74 | 172.8 | 148.7 | 0 | 0 | 111.6 | L158 T159 S165 I166 | L158-E162 WeakPolarHBondContact CA-OE2 3.35Å; L158-E162 HydrophobicContact CD1-CB 3.65Å; T159-E162 PolarHBondContact N-OE2 3.45Å; T159-E162 PolarHBondContact O-N 2.8Å; T159-E162 WeakPolarHBondContact OG1-CB 3.5Å; T159-E162 VanDerWaalsContact OG1-CG 3.27Å; T159-E162 WeakPolarHBondContact OG1-CG 3.11Å; T159-E162 PolarHBondContact OG1-N 2.77Å; E162-S165 PolarHBondContact O-N 2.94Å; E162-I166 VanDerWaalsContact O-CG1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.24Å; E162-I166 PolarHBondContact O-N 2.87Å |
| 163 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.8 | -178.6 | 63.3 | 0 | 0 | 0 | 111.8 | Y111 L153 L158 T159 K160 S165 I166 M167 A198 L199 I202 | Y111-L163 HydrophobicContact CE2-CD2 3.77Å; Y111-L163 HydrophobicContact CE2-CG 4.06Å; Y111-L163 WeakPolarHBondContact OH-CD2 3.39Å; Y111-L163 VanDerWaalsContact OH-CG 3.3Å; Y111-L163 WeakPolarHBondContact OH-CG 3.4Å; L153-L163 HydrophobicContact CD2-CD1 3.75Å; L158-L163 HydrophobicContact CD2-CB 4.29Å; L158-L163 HydrophobicContact CD2-CD1 4.28Å; L158-L163 HydrophobicContact CG-CB 4.47Å; T159-L163 PolarHBondContact O-N 2.9Å; K160-L163 PolarHBondContact O-N 2.62Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 2.8Å; L163-I166 WeakPolarHBondContact O-CB 3.25Å; L163-I166 PolarHBondContact O-N 2.88Å; L163-M167 HydrophobicContact CD1-CE 3.85Å; L163-M167 WeakPolarHBondContact O-CG 3.27Å; L163-M167 PolarHBondContact O-N 3.48Å; L163-A198 HydrophobicContact CD1-CB 3.74Å; L163-A198 HydrophobicContact CD2-CB 3.7Å; L163-A198 HydrophobicContact CG-CB 4.4Å; L163-L199 HydrophobicContact CD2-CB 3.97Å; L163-I202 HydrophobicContact CB-CD1 3.89Å; L163-I202 HydrophobicContact CD2-CD1 3.58Å; L163-I202 HydrophobicContact CG-CD1 4.36Å |
| 164 | D | 98.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.1 | -49.8 | 173.5 | -73.6 | -28.5 | 0 | 0 | 0 | 110.6 | Y111 W112 K115 K160 I166 M167 E168 | Y111-D164 PolarHBondContact OH-OD1 3.17Å; W112-D164 HydrophobicContact CH2-CB 3.67Å; W112-D164 WeakPolarHBondContact CH2-OD1 3.29Å; W112-D164 HydrophobicContact CZ3-CB 4.08Å; W112-D164 WeakPolarHBondContact CZ3-OD1 3.42Å; K115-D164 WeakPolarHBondContact CE-OD1 3.48Å; K115-D164 IonicContact NZ-OD1 2.83Å; K115-D164 PolarHBondContact NZ-OD1 3.35Å; K115-D164 IonicContact NZ-OD2 3.99Å; K115-D164 PolarHBondContact NZ-OD2 3.03Å; K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 PolarHBondContact O-N 2.97Å; D164-I166 VanDerWaalsContact C-N 3.3Å; D164-I166 PolarHBondContact O-N 3.24Å; D164-M167 WeakPolarHBondContact O-CA 3.14Å; D164-M167 WeakPolarHBondContact O-CB 3.45Å; D164-M167 PolarHBondContact O-N 2.87Å; D164-E168 WeakPolarHBondContact O-CG 3.49Å; D164-E168 PolarHBondContact O-N 3.35Å |
| 165 | S | 98.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 177.1 | 173 | 0 | 0 | 0 | 0 | 112.2 | E161 E162 L163 M167 E168 D169 | E161-S165 WeakPolarHBondContact O-CB 3.32Å; E161-S165 PolarHBondContact O-N 3.48Å; E162-S165 PolarHBondContact O-N 2.94Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 2.8Å; S165-M167 VanDerWaalsContact C-N 3.34Å; S165-M167 PolarHBondContact O-N 2.91Å; S165-E168 PolarHBondContact O-N 3.02Å; S165-D169 VanDerWaalsContact O-CB 3.31Å; S165-D169 WeakPolarHBondContact O-CB 3.28Å; S165-D169 VanDerWaalsContact O-CG 3.25Å; S165-D169 PolarHBondContact O-N 3.48Å |
| 166 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 174 | -64.3 | 166.1 | 0 | 0 | 0 | 111.1 | L149 L153 L158 E162 L163 D164 F170 Y184 M191 | L149-I166 HydrophobicContact CD1-CG2 3.99Å; L153-I166 HydrophobicContact CD2-CD1 4.21Å; L153-I166 HydrophobicContact CD2-CG2 4.45Å; L158-I166 HydrophobicContact CD1-CD1 4.33Å; E162-I166 VanDerWaalsContact O-CG1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.24Å; E162-I166 PolarHBondContact O-N 2.87Å; L163-I166 WeakPolarHBondContact O-CB 3.25Å; L163-I166 PolarHBondContact O-N 2.88Å; D164-I166 VanDerWaalsContact C-N 3.3Å; D164-I166 PolarHBondContact O-N 3.24Å; I166-F170 WeakPolarHBondContact O-CB 3.14Å; I166-F170 PolarHBondContact O-N 2.77Å; I166-Y184 HydrophobicContact CG2-CE1 3.86Å; I166-M191 HydrophobicContact CG2-CE 4.12Å |
| 167 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 178.2 | -66.8 | -49.7 | 97.6 | 0 | 0 | 112.5 | L107 Y111 W112 L163 D164 S165 T171 M191 | L107-M167 HydrophobicContact CD2-CB 3.92Å; L107-M167 HydrophobicContact CD2-CG 4.43Å; L107-M167 WeakPolarHBondContact CD2-O 3.47Å; L107-M167 HydrophobicContact CD2-SD 4.16Å; Y111-M167 HydrophobicContact CD1-CB 4.16Å; Y111-M167 HydrophobicContact CD1-CG 3.64Å; Y111-M167 HydrophobicContact CD2-CG 4.1Å; Y111-M167 HydrophobicContact CD2-SD 4.37Å; Y111-M167 HydrophobicContact CE1-CB 4.09Å; Y111-M167 HydrophobicContact CE1-CG 3.52Å; Y111-M167 HydrophobicContact CE2-CG 3.96Å; Y111-M167 HydrophobicContact CG-CG 3.93Å; Y111-M167 HydrophobicContact CG-SD 4.41Å; W112-M167 HydrophobicContact CZ2-CB 3.97Å; L163-M167 HydrophobicContact CD1-CE 3.85Å; L163-M167 WeakPolarHBondContact O-CG 3.27Å; L163-M167 PolarHBondContact O-N 3.48Å; D164-M167 WeakPolarHBondContact O-CA 3.14Å; D164-M167 WeakPolarHBondContact O-CB 3.45Å; D164-M167 PolarHBondContact O-N 2.87Å; S165-M167 VanDerWaalsContact C-N 3.34Å; S165-M167 PolarHBondContact O-N 2.91Å; M167-T171 PolarHBondContact O-N 2.96Å; M167-T171 VanDerWaalsContact O-N 3.08Å; M167-T171 PolarHBondContact O-OG1 2.73Å; M167-M191 HydrophobicContact CE-CE 3.35Å; M167-M191 HydrophobicContact SD-CE 4.38Å |
| 168 | E | 98.7 | Very high | 98.4 | Very high | 110 Ų | 110 | 47.6 Ų | 47.6 | 51% | 0.514 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 173.9 | -69.9 | 174.4 | 171.5 | 0 | 0 | 111.2 | W112 D164 S165 F170 T171 R172 | W112-E168 HydrophobicContact CH2-CG 4.14Å; W112-E168 HydrophobicContact CZ2-CG 3.85Å; D164-E168 WeakPolarHBondContact O-CG 3.49Å; D164-E168 PolarHBondContact O-N 3.35Å; S165-E168 PolarHBondContact O-N 3.02Å; E168-F170 VanDerWaalsContact C-N 3.33Å; E168-F170 PolarHBondContact O-N 2.96Å; E168-T171 WeakPolarHBondContact O-CB 3.49Å; E168-T171 PolarHBondContact O-N 2.97Å; E168-T171 VanDerWaalsContact O-N 3.11Å; E168-R172 PolarHBondContact O-N 2.69Å |
| 169 | D | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.1 | -78.1 | -7 | 0 | 0 | 0 | 111.8 | S165 T171 R172 A173 Y184 | S165-D169 VanDerWaalsContact O-CB 3.31Å; S165-D169 WeakPolarHBondContact O-CB 3.28Å; S165-D169 VanDerWaalsContact O-CG 3.25Å; S165-D169 PolarHBondContact O-N 3.48Å; D169-T171 VanDerWaalsContact C-N 3.35Å; D169-T171 PolarHBondContact O-N 2.86Å; D169-R172 VanDerWaalsContact CG-NH2 3.28Å; D169-R172 PolarHBondContact O-N 2.96Å; D169-R172 IonicContact OD1-CZ 3.86Å; D169-R172 IonicContact OD1-NH1 3.49Å; D169-R172 PolarHBondContact OD1-NH1 3.06Å; D169-R172 IonicContact OD1-NH2 2.72Å; D169-R172 PolarHBondContact OD1-NH2 2.79Å; D169-R172 IonicContact OD2-NH2 2.59Å; D169-A173 WeakPolarHBondContact O-CB 3.48Å; D169-A173 PolarHBondContact O-N 3.46Å; D169-Y184 HydrophobicContact CB-CE2 4.45Å; D169-Y184 WeakPolarHBondContact CB-OH 3.26Å |
| 170 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 172.5 | 173.2 | -102.3 | 0 | 0 | 0 | 112 | A103 L107 I166 E168 R172 A173 A174 R179 Y184 P185 N188 M191 | A103-F170 HydrophobicContact CB-CE1 4.02Å; L107-F170 HydrophobicContact CD1-CD1 3.91Å; L107-F170 HydrophobicContact CD1-CE1 3.77Å; L107-F170 HydrophobicContact CD2-CD1 3.8Å; L107-F170 HydrophobicContact CD2-CE1 4.5Å; I166-F170 WeakPolarHBondContact O-CB 3.14Å; I166-F170 PolarHBondContact O-N 2.77Å; E168-F170 VanDerWaalsContact C-N 3.33Å; E168-F170 PolarHBondContact O-N 2.96Å; F170-R172 VanDerWaalsContact C-N 3.33Å; F170-R172 PolarHBondContact O-N 2.77Å; F170-A173 PolarHBondContact O-N 3.03Å; F170-A174 WeakPolarHBondContact O-CB 3.23Å; F170-A174 PolarHBondContact O-N 2.9Å; F170-R179 HydrophobicContact CD2-CG 4.38Å; F170-R179 VanDerWaalsContact CE2-CD 3.44Å; F170-R179 HydrophobicContact CE2-CG 4.03Å; F170-Y184 HydrophobicContact CB-CD1 4.27Å; F170-Y184 HydrophobicContact CB-CD2 4.47Å; F170-Y184 HydrophobicContact CB-CE1 4.21Å; F170-Y184 HydrophobicContact CB-CE2 4.4Å; F170-Y184 HydrophobicContact CB-CG 4.43Å; F170-Y184 AromaticContact CD2-CD1 3.88Å; F170-Y184 HydrophobicContact CD2-CD1 3.88Å; F170-Y184 HydrophobicContact CD2-CD2 4.13Å; F170-Y184 AromaticContact CD2-CG 3.62Å; F170-Y184 HydrophobicContact CD2-CG 3.62Å; F170-Y184 HydrophobicContact CE2-CG 4.42Å; F170-P185 WeakPolarHBondContact CE2-O 3.21Å; F170-N188 WeakPolarHBondContact CZ-OD1 3.12Å; F170-M191 HydrophobicContact CB-CG 4.24Å; F170-M191 HydrophobicContact CD1-CB 4.02Å; F170-M191 HydrophobicContact CD1-CG 3.8Å; F170-M191 HydrophobicContact CD2-CB 4.02Å; F170-M191 HydrophobicContact CD2-CG 3.58Å; F170-M191 HydrophobicContact CD2-SD 4.37Å; F170-M191 HydrophobicContact CE1-CB 3.7Å; F170-M191 HydrophobicContact CE1-CG 4.02Å; F170-M191 HydrophobicContact CE2-CB 3.67Å; F170-M191 HydrophobicContact CE2-CG 3.78Å; F170-M191 HydrophobicContact CG-CB 4.17Å; F170-M191 HydrophobicContact CG-CG 3.58Å; F170-M191 HydrophobicContact CZ-CB 3.51Å; F170-M191 HydrophobicContact CZ-CG 4.01Å |
| 171 | T | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | -179.9 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | E104 L107 M167 E168 D169 A174 K175 | E104-T171 HydrophobicContact CB-CG2 4.04Å; L107-T171 WeakPolarHBondContact CD2-OG1 3.3Å; M167-T171 PolarHBondContact O-N 2.96Å; M167-T171 VanDerWaalsContact O-N 3.08Å; M167-T171 PolarHBondContact O-OG1 2.73Å; E168-T171 WeakPolarHBondContact O-CB 3.49Å; E168-T171 PolarHBondContact O-N 2.97Å; E168-T171 VanDerWaalsContact O-N 3.11Å; D169-T171 VanDerWaalsContact C-N 3.35Å; D169-T171 PolarHBondContact O-N 2.86Å; T171-A174 WeakPolarHBondContact O-CB 3.45Å; T171-A174 PolarHBondContact O-N 3.32Å; T171-K175 WeakPolarHBondContact O-CG 3.41Å; T171-K175 PolarHBondContact O-N 3.17Å; T171-K175 VanDerWaalsContact O-N 3.16Å |
| 172 | R | 98.5 | Very high | 97.9 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -51.2 | 173.3 | -178 | 174.5 | 67.5 | -110.4 | -2 | 111.3 | E168 D169 F170 A174 K175 E176 | E168-R172 PolarHBondContact O-N 2.69Å; D169-R172 VanDerWaalsContact CG-NH2 3.28Å; D169-R172 PolarHBondContact O-N 2.96Å; D169-R172 IonicContact OD1-CZ 3.86Å; D169-R172 IonicContact OD1-NH1 3.49Å; D169-R172 PolarHBondContact OD1-NH1 3.06Å; D169-R172 IonicContact OD1-NH2 2.72Å; D169-R172 PolarHBondContact OD1-NH2 2.79Å; D169-R172 IonicContact OD2-NH2 2.59Å; F170-R172 VanDerWaalsContact C-N 3.33Å; F170-R172 PolarHBondContact O-N 2.77Å; R172-A174 PolarHBondContact O-N 2.99Å; R172-A174 VanDerWaalsContact O-N 3.16Å; R172-K175 WeakPolarHBondContact O-CB 3.41Å; R172-K175 PolarHBondContact O-N 3.23Å; R172-E176 HydrophobicContact CG-CG 4.47Å; R172-E176 WeakPolarHBondContact CG-OE1 3.47Å; R172-E176 WeakPolarHBondContact O-CG 3.4Å; R172-E176 PolarHBondContact O-N 2.78Å |
| 173 | A | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -31 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D169 F170 G177 T178 R179 N182 Y184 | D169-A173 WeakPolarHBondContact O-CB 3.48Å; D169-A173 PolarHBondContact O-N 3.46Å; F170-A173 PolarHBondContact O-N 3.03Å; A173-G177 CarbonylContact O-C 3.46Å; A173-G177 PolarHBondContact O-N 2.87Å; A173-T178 WeakPolarHBondContact CA-OG1 3.4Å; A173-T178 PolarHBondContact O-N 2.99Å; A173-R179 HydrophobicContact CB-CG 4.09Å; A173-N182 HydrophobicContact CB-CB 4.47Å; A173-Y184 HydrophobicContact CB-CD2 4.12Å; A173-Y184 HydrophobicContact CB-CE2 4.4Å |
| 174 | A | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G100 A103 F170 T171 R172 R179 | G100-A174 PolarHBondContact N-O 2.81Å; A103-A174 HydrophobicContact CB-CB 3.41Å; A103-A174 VanDerWaalsContact CB-CB 3.41Å; F170-A174 WeakPolarHBondContact O-CB 3.23Å; F170-A174 PolarHBondContact O-N 2.9Å; T171-A174 WeakPolarHBondContact O-CB 3.45Å; T171-A174 PolarHBondContact O-N 3.32Å; R172-A174 PolarHBondContact O-N 2.99Å; R172-A174 VanDerWaalsContact O-N 3.16Å; A174-R179 HydrophobicContact CB-CG 4.2Å; A174-R179 PolarHBondContact O-NH1 3.42Å |
| 175 | K | 98.1 | Very high | 97.6 | Very high | 115 Ų | 115 | 55.2 Ų | 55.2 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.2 | -36.4 | 175.5 | -70.1 | 173.9 | 177.7 | -173.5 | 0 | 111.7 | E104 T171 R172 | E104-K175 IonicContact OE1-NZ 2.8Å; E104-K175 WeakPolarHBondContact OE2-CE 3.36Å; E104-K175 IonicContact OE2-NZ 3.73Å; E104-K175 PolarHBondContact OE2-NZ 3.14Å; T171-K175 WeakPolarHBondContact O-CG 3.41Å; T171-K175 PolarHBondContact O-N 3.17Å; T171-K175 VanDerWaalsContact O-N 3.16Å; R172-K175 WeakPolarHBondContact O-CB 3.41Å; R172-K175 PolarHBondContact O-N 3.23Å |
| 176 | E | 97.9 | Very high | 97.3 | Very high | 116 Ų | 116 | 59.4 Ų | 59.4 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -84.6 | -13.2 | -179.3 | -66.9 | 169.3 | -177.9 | 0 | 0 | 113.6 | R172 T178 | R172-E176 HydrophobicContact CG-CG 4.47Å; R172-E176 WeakPolarHBondContact CG-OE1 3.47Å; R172-E176 WeakPolarHBondContact O-CG 3.4Å; R172-E176 PolarHBondContact O-N 2.78Å; E176-T178 VanDerWaalsContact C-N 3.34Å; E176-T178 HydrophobicContact CB-CG2 4.07Å |
| 177 | G | 96.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 21.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | A173 | A173-G177 CarbonylContact O-C 3.46Å; A173-G177 PolarHBondContact O-N 2.87Å |
| 178 | T | 97.5 | Very high | 97.1 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -109.1 | 18.3 | -173.2 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | A173 E176 R180 E181 N182 | A173-T178 WeakPolarHBondContact CA-OG1 3.4Å; A173-T178 PolarHBondContact O-N 2.99Å; E176-T178 VanDerWaalsContact C-N 3.34Å; E176-T178 HydrophobicContact CB-CG2 4.07Å; T178-R180 PolarHBondContact O-N 2.72Å; T178-E181 WeakPolarHBondContact CA-OE2 3.1Å; T178-E181 PolarHBondContact O-N 3.33Å; T178-N182 WeakPolarHBondContact O-CB 3.4Å; T178-N182 PolarHBondContact O-N 2.8Å; T178-N182 PolarHBondContact O-ND2 3.27Å; T178-N182 PolarHBondContact OG1-ND2 3.4Å | ||
| 179 | R | 97.4 | Very high | 97 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -47.1 | -175.6 | -75.7 | -176.8 | -63.8 | -92 | -10.9 | 112.3 | F170 A173 A174 N182 G183 Y184 | F170-R179 HydrophobicContact CD2-CG 4.38Å; F170-R179 VanDerWaalsContact CE2-CD 3.44Å; F170-R179 HydrophobicContact CE2-CG 4.03Å; A173-R179 HydrophobicContact CB-CG 4.09Å; A174-R179 HydrophobicContact CB-CG 4.2Å; A174-R179 PolarHBondContact O-NH1 3.42Å; R179-N182 CarbonylContact O-C 3.53Å; R179-N182 PolarHBondContact O-N 3.04Å; R179-G183 PolarHBondContact O-N 3.1Å; R179-Y184 WeakPolarHBondContact O-CB 3.19Å; R179-Y184 PolarHBondContact O-N 3.22Å |
| 180 | R | 95 | Very high | 97 | Very high | 181 Ų | 181 | 58.9 Ų | 58.9 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -41.4 | -174.5 | -178.5 | 178 | 176.8 | 176.5 | -3.3 | 111.1 | T178 N182 G183 | T178-R180 PolarHBondContact O-N 2.72Å; R180-N182 PolarHBondContact O-N 3.38Å; R180-G183 PolarHBondContact O-N 2.95Å; R180-G183 VanDerWaalsContact O-N 3.08Å |
| 181 | E | 95.8 | Very high | 97 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -36.5 | 176 | -64.1 | 72.7 | -163.5 | 0 | 0 | 110.7 | T178 G183 | T178-E181 WeakPolarHBondContact CA-OE2 3.1Å; T178-E181 PolarHBondContact O-N 3.33Å; E181-G183 VanDerWaalsContact C-N 3.3Å; E181-G183 PolarHBondContact O-N 2.84Å |
| 182 | N | 95.7 | Very high | 97 | Very high | 88 Ų | 88 | 58 Ų | 58 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 11.4 | 176.8 | -68.8 | -45.5 | 0 | 0 | 0 | 114 | A173 T178 R179 R180 Y184 | A173-N182 HydrophobicContact CB-CB 4.47Å; T178-N182 WeakPolarHBondContact O-CB 3.4Å; T178-N182 PolarHBondContact O-N 2.8Å; T178-N182 PolarHBondContact O-ND2 3.27Å; T178-N182 PolarHBondContact OG1-ND2 3.4Å; R179-N182 CarbonylContact O-C 3.53Å; R179-N182 PolarHBondContact O-N 3.04Å; R180-N182 PolarHBondContact O-N 3.38Å; N182-Y184 VanDerWaalsContact C-N 3.26Å; N182-Y184 HydrophobicContact CB-CD2 3.65Å; N182-Y184 HydrophobicContact CB-CE2 3.81Å; N182-Y184 PolarHBondContact O-N 3.12Å |
| 183 | G | 95.4 | Very high | 97 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 1.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D146 R179 R180 E181 | D146-G183 WeakPolarHBondContact CB-O 3.27Å; R179-G183 PolarHBondContact O-N 3.1Å; R180-G183 PolarHBondContact O-N 2.95Å; R180-G183 VanDerWaalsContact O-N 3.08Å; E181-G183 VanDerWaalsContact C-N 3.3Å; E181-G183 PolarHBondContact O-N 2.84Å |
| 184 | Y | 97.7 | Very high | 97 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 8% | 0.078 | 26% | 0.261 | C | S | . | . | trans | -80.4 | 152.2 | -178.8 | -64.9 | -61.3 | 0 | 0 | 0 | 113.1 | L149 I166 D169 F170 A173 R179 N182 M191 | L149-Y184 HydrophobicContact CD1-CE1 4.12Å; L149-Y184 HydrophobicContact CD2-CD1 3.47Å; L149-Y184 VanDerWaalsContact CD2-CD1 3.47Å; L149-Y184 HydrophobicContact CD2-CE1 3.68Å; L149-Y184 HydrophobicContact CD2-CG 4.44Å; I166-Y184 HydrophobicContact CG2-CE1 3.86Å; D169-Y184 HydrophobicContact CB-CE2 4.45Å; D169-Y184 WeakPolarHBondContact CB-OH 3.26Å; F170-Y184 HydrophobicContact CB-CD1 4.27Å; F170-Y184 HydrophobicContact CB-CD2 4.47Å; F170-Y184 HydrophobicContact CB-CE1 4.21Å; F170-Y184 HydrophobicContact CB-CE2 4.4Å; F170-Y184 HydrophobicContact CB-CG 4.43Å; F170-Y184 AromaticContact CD2-CD1 3.88Å; F170-Y184 HydrophobicContact CD2-CD1 3.88Å; F170-Y184 HydrophobicContact CD2-CD2 4.13Å; F170-Y184 AromaticContact CD2-CG 3.62Å; F170-Y184 HydrophobicContact CD2-CG 3.62Å; F170-Y184 HydrophobicContact CE2-CG 4.42Å; A173-Y184 HydrophobicContact CB-CD2 4.12Å; A173-Y184 HydrophobicContact CB-CE2 4.4Å; R179-Y184 WeakPolarHBondContact O-CB 3.19Å; R179-Y184 PolarHBondContact O-N 3.22Å; N182-Y184 VanDerWaalsContact C-N 3.26Å; N182-Y184 HydrophobicContact CB-CD2 3.65Å; N182-Y184 HydrophobicContact CB-CE2 3.81Å; N182-Y184 PolarHBondContact O-N 3.12Å; Y184-M191 HydrophobicContact CD1-CE 4.35Å; Y184-M191 HydrophobicContact CD1-SD 4.1Å; Y184-M191 HydrophobicContact CE1-CE 4.43Å | ||
| 185 | P | 95.3 | Very high | 97.1 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | trans | -69.2 | 149.5 | 172.1 | 30.9 | -34.6 | 0 | 0 | 0 | 110.9 | I144 F170 N187 M191 | I144-P185 HydrophobicContact CG1-CG 4.37Å; F170-P185 WeakPolarHBondContact CE2-O 3.21Å; P185-N187 VanDerWaalsContact C-N 3.25Å; P185-N187 PolarHBondContact O-N 3.13Å; P185-M191 HydrophobicContact CG-CB 4.04Å; P185-M191 HydrophobicContact CG-SD 3.86Å | ||
| 186 | E | 93.9 | Very high | 97.1 | Very high | 137 Ų | 137 | 46.7 Ų | 46.7 | 64% | 0.64 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -74.3 | -19 | 177.2 | -65.7 | 179.5 | 118.9 | 0 | 0 | 113.1 | N188 | E186-N188 PolarHBondContact O-N 3.2Š|
| 187 | N | 95.2 | Very high | 97.1 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | trans | -85.5 | 109 | 180 | -175.2 | -27.8 | 0 | 0 | 0 | 111.1 | P185 Y189 S190 M191 | P185-N187 VanDerWaalsContact C-N 3.25Å; P185-N187 PolarHBondContact O-N 3.13Å; N187-Y189 VanDerWaalsContact C-N 3.31Å; N187-Y189 PolarHBondContact O-N 3.37Å; N187-Y189 WeakPolarHBondContact OD1-CA 3.39Å; N187-Y189 VanDerWaalsContact OD1-CB 3.28Å; N187-Y189 WeakPolarHBondContact OD1-CB 3.49Å; N187-Y189 PolarHBondContact OD1-N 3.19Å; N187-S190 WeakPolarHBondContact O-CB 3.42Å; N187-S190 PolarHBondContact O-N 3.49Å; N187-S190 VanDerWaalsContact O-N 3.15Å; N187-S190 PolarHBondContact OD1-N 3.26Å; N187-S190 VanDerWaalsContact OD1-N 3.12Å; N187-M191 PolarHBondContact O-N 3.05Å; N187-M191 VanDerWaalsContact O-N 3.14Å | ||
| 188 | N | 97.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.1 | -39.9 | 177.7 | -64.6 | -30 | 0 | 0 | 0 | 113.4 | A99 Q102 A103 F170 E186 M191 S192 | A99-N188 PolarHBondContact O-ND2 3.03Å; Q102-N188 VanDerWaalsContact CB-ND2 3.34Å; Q102-N188 WeakPolarHBondContact CB-ND2 3.3Å; A103-N188 HydrophobicContact CB-CB 4.45Å; A103-N188 WeakPolarHBondContact CB-OD1 3.41Å; A103-N188 PolarHBondContact N-ND2 3.05Å; F170-N188 WeakPolarHBondContact CZ-OD1 3.12Å; E186-N188 PolarHBondContact O-N 3.2Å; N188-M191 PolarHBondContact O-N 3.31Å; N188-S192 WeakPolarHBondContact O-CB 3.5Å; N188-S192 PolarHBondContact O-N 3.43Å |
| 189 | Y | 97.8 | Very high | 97.3 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.9 | -179.2 | -101.5 | 0 | 0 | 0 | 110.9 | I89 A90 N187 M191 S192 K193 | I89-Y189 VanDerWaalsContact O-CD2 3.29Å; I89-Y189 WeakPolarHBondContact O-CD2 3.12Å; A90-Y189 HydrophobicContact CB-CD2 3.58Å; A90-Y189 HydrophobicContact CB-CE2 4.07Å; A90-Y189 HydrophobicContact CB-CG 4.03Å; N187-Y189 VanDerWaalsContact C-N 3.31Å; N187-Y189 PolarHBondContact O-N 3.37Å; N187-Y189 WeakPolarHBondContact OD1-CA 3.39Å; N187-Y189 VanDerWaalsContact OD1-CB 3.28Å; N187-Y189 WeakPolarHBondContact OD1-CB 3.49Å; N187-Y189 PolarHBondContact OD1-N 3.19Å; Y189-M191 PolarHBondContact O-N 3.14Å; Y189-S192 PolarHBondContact O-N 2.65Å; Y189-S192 PolarHBondContact O-OG 3.22Å; Y189-K193 HydrophobicContact CD1-CG 4.32Å; Y189-K193 HydrophobicContact CD2-CG 4.45Å; Y189-K193 HydrophobicContact CE1-CG 3.89Å; Y189-K193 HydrophobicContact CE2-CD 4.44Å; Y189-K193 HydrophobicContact CE2-CG 4.03Å; Y189-K193 WeakPolarHBondContact O-CG 3.34Å; Y189-K193 PolarHBondContact O-N 3.15Å; Y189-K193 WeakPolarHBondContact OH-CE 3.28Å |
| 190 | S | 97.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -49.7 | 176.4 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | S138 N187 S192 K193 V194 | S138-S190 WeakPolarHBondContact O-CA 3.42Å; S138-S190 VanDerWaalsContact O-CB 3.31Å; S138-S190 WeakPolarHBondContact O-CB 3.36Å; N187-S190 WeakPolarHBondContact O-CB 3.42Å; N187-S190 PolarHBondContact O-N 3.49Å; N187-S190 VanDerWaalsContact O-N 3.15Å; N187-S190 PolarHBondContact OD1-N 3.26Å; N187-S190 VanDerWaalsContact OD1-N 3.12Å; S190-S192 VanDerWaalsContact C-N 3.34Å; S190-S192 PolarHBondContact O-N 3.09Å; S190-K193 PolarHBondContact O-N 3.13Å; S190-V194 WeakPolarHBondContact O-CG2 3.46Å; S190-V194 PolarHBondContact O-N 3.14Å |
| 191 | M | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | -179.9 | -163 | 66.2 | -149.6 | 0 | 0 | 112.2 | I144 L153 I166 M167 F170 Y184 P185 N187 N188 Y189 K193 V194 G195 | I144-M191 HydrophobicContact CD1-CE 4.47Å; I144-M191 HydrophobicContact CD1-SD 4.22Å; L153-M191 HydrophobicContact CD1-CE 4.38Å; I166-M191 HydrophobicContact CG2-CE 4.12Å; M167-M191 HydrophobicContact CE-CE 3.35Å; M167-M191 HydrophobicContact SD-CE 4.38Å; F170-M191 HydrophobicContact CB-CG 4.24Å; F170-M191 HydrophobicContact CD1-CB 4.02Å; F170-M191 HydrophobicContact CD1-CG 3.8Å; F170-M191 HydrophobicContact CD2-CB 4.02Å; F170-M191 HydrophobicContact CD2-CG 3.58Å; F170-M191 HydrophobicContact CD2-SD 4.37Å; F170-M191 HydrophobicContact CE1-CB 3.7Å; F170-M191 HydrophobicContact CE1-CG 4.02Å; F170-M191 HydrophobicContact CE2-CB 3.67Å; F170-M191 HydrophobicContact CE2-CG 3.78Å; F170-M191 HydrophobicContact CG-CB 4.17Å; F170-M191 HydrophobicContact CG-CG 3.58Å; F170-M191 HydrophobicContact CZ-CB 3.51Å; F170-M191 HydrophobicContact CZ-CG 4.01Å; Y184-M191 HydrophobicContact CD1-CE 4.35Å; Y184-M191 HydrophobicContact CD1-SD 4.1Å; Y184-M191 HydrophobicContact CE1-CE 4.43Å; P185-M191 HydrophobicContact CG-CB 4.04Å; P185-M191 HydrophobicContact CG-SD 3.86Å; N187-M191 PolarHBondContact O-N 3.05Å; N187-M191 VanDerWaalsContact O-N 3.14Å; N188-M191 PolarHBondContact O-N 3.31Å; Y189-M191 PolarHBondContact O-N 3.14Å; M191-K193 VanDerWaalsContact C-N 3.25Å; M191-K193 PolarHBondContact O-N 3.34Å; M191-V194 HydrophobicContact CE-CB 4.45Å; M191-V194 HydrophobicContact CE-CG1 4.11Å; M191-V194 PolarHBondContact O-N 2.93Å; M191-G195 PolarHBondContact O-N 3.39Å |
| 192 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -36.7 | 176.9 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | N110 N188 Y189 S190 E196 | N110-S192 PolarHBondContact ND2-OG 3.19Å; N188-S192 WeakPolarHBondContact O-CB 3.5Å; N188-S192 PolarHBondContact O-N 3.43Å; Y189-S192 PolarHBondContact O-N 2.65Å; Y189-S192 PolarHBondContact O-OG 3.22Å; S190-S192 VanDerWaalsContact C-N 3.34Å; S190-S192 PolarHBondContact O-N 3.09Å; S192-E196 PolarHBondContact O-N 3.34Å |
| 193 | K | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -82.1 | -28.5 | 179.2 | -66.3 | -54.2 | -167.6 | 172 | 0 | 113.2 | V134 S135 Y189 S190 M191 E196 T197 | V134-K193 PolarHBondContact O-NZ 3Å; S135-K193 PolarHBondContact OG-O 3.37Å; Y189-K193 HydrophobicContact CD1-CG 4.32Å; Y189-K193 HydrophobicContact CD2-CG 4.45Å; Y189-K193 HydrophobicContact CE1-CG 3.89Å; Y189-K193 HydrophobicContact CE2-CD 4.44Å; Y189-K193 HydrophobicContact CE2-CG 4.03Å; Y189-K193 WeakPolarHBondContact O-CG 3.34Å; Y189-K193 PolarHBondContact O-N 3.15Å; Y189-K193 WeakPolarHBondContact OH-CE 3.28Å; S190-K193 PolarHBondContact O-N 3.13Å; M191-K193 VanDerWaalsContact C-N 3.25Å; M191-K193 PolarHBondContact O-N 3.34Å; K193-E196 WeakPolarHBondContact CD-OE2 3.4Å; K193-E196 WeakPolarHBondContact CE-OE2 3.34Å; K193-E196 IonicContact NZ-OE1 2.63Å; K193-E196 PolarHBondContact NZ-OE1 3.04Å; K193-E196 IonicContact NZ-OE2 3.29Å; K193-E196 PolarHBondContact NZ-OE2 3.06Å; K193-T197 WeakPolarHBondContact O-CB 3.45Å; K193-T197 PolarHBondContact O-N 3.18Å; K193-T197 PolarHBondContact O-OG1 2.71Å |
| 194 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 166.2 | 168.2 | 0 | 0 | 0 | 0 | 109.3 | G139 L141 I144 L153 S190 M191 E196 T197 A198 W270 | G139-V194 WeakPolarHBondContact O-CG2 3.46Å; L141-V194 HydrophobicContact CD2-CG1 3.97Å; I144-V194 HydrophobicContact CD1-CB 4.46Å; I144-V194 HydrophobicContact CD1-CG1 3.82Å; I144-V194 HydrophobicContact CD1-CG2 4.06Å; I144-V194 HydrophobicContact CG1-CG2 4.38Å; L153-V194 HydrophobicContact CD1-CG1 3.62Å; L153-V194 HydrophobicContact CD2-CG1 4.24Å; L153-V194 HydrophobicContact CG-CG1 4.49Å; S190-V194 WeakPolarHBondContact O-CG2 3.46Å; S190-V194 PolarHBondContact O-N 3.14Å; M191-V194 HydrophobicContact CE-CB 4.45Å; M191-V194 HydrophobicContact CE-CG1 4.11Å; M191-V194 PolarHBondContact O-N 2.93Å; V194-E196 PolarHBondContact O-N 2.97Å; V194-T197 PolarHBondContact O-N 3.29Å; V194-A198 WeakPolarHBondContact O-CB 3.16Å; V194-A198 PolarHBondContact O-N 3.21Å; V194-W270 HydrophobicContact CG1-CZ2 4.11Å |
| 195 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.1 | -48 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y111 M191 T197 A198 L199 | Y111-G195 VanDerWaalsContact CD2-C 3.47Å; Y111-G195 WeakPolarHBondContact CE2-O 3.49Å; M191-G195 PolarHBondContact O-N 3.39Å; G195-T197 VanDerWaalsContact C-N 3.3Å; G195-T197 PolarHBondContact O-N 2.72Å; G195-A198 PolarHBondContact O-N 2.84Å; G195-L199 VanDerWaalsContact O-CB 3.29Å; G195-L199 WeakPolarHBondContact O-CB 3.48Å; G195-L199 PolarHBondContact O-N 3.36Å |
| 196 | E | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -37.2 | 177.2 | -173.4 | 179.8 | -126 | 0 | 0 | 112.8 | T114 N133 S135 S192 K193 V194 T200 | T114-E196 HydrophobicContact CG2-CG 4.32Å; T114-E196 PolarHBondContact OG1-OE1 2.93Å; N133-E196 HydrophobicContact CB-CG 4.14Å; S135-E196 VanDerWaalsContact CA-OE2 3.25Å; S135-E196 WeakPolarHBondContact CA-OE2 3.39Å; S192-E196 PolarHBondContact O-N 3.34Å; K193-E196 WeakPolarHBondContact CD-OE2 3.4Å; K193-E196 WeakPolarHBondContact CE-OE2 3.34Å; K193-E196 IonicContact NZ-OE1 2.63Å; K193-E196 PolarHBondContact NZ-OE1 3.04Å; K193-E196 IonicContact NZ-OE2 3.29Å; K193-E196 PolarHBondContact NZ-OE2 3.06Å; V194-E196 PolarHBondContact O-N 2.97Å; E196-T200 PolarHBondContact O-N 3.36Å; E196-T200 PolarHBondContact O-OG1 3.44Å |
| 197 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71.7 | -42 | 177.5 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | S135 K193 V194 G195 L199 T200 M201 A219 F261 W270 | S135-T197 WeakPolarHBondContact CB-OG1 3.3Å; S135-T197 PolarHBondContact OG-OG1 3.15Å; K193-T197 WeakPolarHBondContact O-CB 3.45Å; K193-T197 PolarHBondContact O-N 3.18Å; K193-T197 PolarHBondContact O-OG1 2.71Å; V194-T197 PolarHBondContact O-N 3.29Å; G195-T197 VanDerWaalsContact C-N 3.3Å; G195-T197 PolarHBondContact O-N 2.72Å; T197-L199 VanDerWaalsContact C-N 3.33Å; T197-L199 PolarHBondContact O-N 3.24Å; T197-T200 VanDerWaalsContact O-CB 3.27Å; T197-T200 WeakPolarHBondContact O-CB 3.46Å; T197-T200 PolarHBondContact O-N 3.4Å; T197-M201 HydrophobicContact CG2-CE 4.1Å; T197-M201 PolarHBondContact O-N 3.43Å; T197-A219 HydrophobicContact CG2-CB 3.94Å; T197-F261 HydrophobicContact CG2-CB 4.28Å; T197-F261 HydrophobicContact CG2-CD2 3.71Å; T197-F261 HydrophobicContact CG2-CG 4.39Å; T197-W270 VanDerWaalsContact CG2-CD1 3.45Å; T197-W270 HydrophobicContact CG2-CD2 4.05Å; T197-W270 HydrophobicContact CG2-CG 3.97Å; T197-W270 HydrophobicContact CG2-CZ2 4.17Å |
| 198 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | L153 L158 L163 V194 G195 T200 M201 I202 W270 | L153-A198 HydrophobicContact CD2-CB 4.46Å; L158-A198 HydrophobicContact CD2-CB 4.46Å; L163-A198 HydrophobicContact CD1-CB 3.74Å; L163-A198 HydrophobicContact CD2-CB 3.7Å; L163-A198 HydrophobicContact CG-CB 4.4Å; V194-A198 WeakPolarHBondContact O-CB 3.16Å; V194-A198 PolarHBondContact O-N 3.21Å; G195-A198 PolarHBondContact O-N 2.84Å; A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 2.85Å; A198-M201 WeakPolarHBondContact O-CB 3.46Å; A198-M201 PolarHBondContact O-N 3.3Å; A198-M201 VanDerWaalsContact O-N 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.44Å; A198-I202 PolarHBondContact O-N 2.94Å; A198-W270 HydrophobicContact CB-CH2 3.62Å; A198-W270 HydrophobicContact CB-CZ2 4.1Å |
| 199 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.4 | -41.2 | 176.4 | 178.1 | 65.3 | 0 | 0 | 0 | 111.7 | Y111 K115 L163 G195 T197 M201 I202 Q203 | Y111-L199 HydrophobicContact CE2-CB 4.03Å; Y111-L199 HydrophobicContact CE2-CD2 4.26Å; K115-L199 HydrophobicContact CB-CD2 3.7Å; K115-L199 HydrophobicContact CG-CD1 4.23Å; K115-L199 HydrophobicContact CG-CD2 4.17Å; L163-L199 HydrophobicContact CD2-CB 3.97Å; G195-L199 VanDerWaalsContact O-CB 3.29Å; G195-L199 WeakPolarHBondContact O-CB 3.48Å; G195-L199 PolarHBondContact O-N 3.36Å; T197-L199 VanDerWaalsContact C-N 3.33Å; T197-L199 PolarHBondContact O-N 3.24Å; L199-M201 VanDerWaalsContact C-N 3.31Å; L199-M201 PolarHBondContact O-N 2.83Å; L199-I202 PolarHBondContact O-N 3.35Å; L199-Q203 HydrophobicContact CD1-CG 4.12Å; L199-Q203 HydrophobicContact CG-CG 4.21Å; L199-Q203 VanDerWaalsContact O-CB 3.29Å; L199-Q203 WeakPolarHBondContact O-CB 3.45Å; L199-Q203 VanDerWaalsContact O-CG 3.22Å; L199-Q203 WeakPolarHBondContact O-CG 3.29Å; L199-Q203 PolarHBondContact O-N 2.95Å |
| 200 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.3 | -46.1 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | N133 E196 T197 A198 Q203 Q204 V217 A219 | N133-T200 PolarHBondContact ND2-OG1 2.86Å; E196-T200 PolarHBondContact O-N 3.36Å; E196-T200 PolarHBondContact O-OG1 3.44Å; T197-T200 VanDerWaalsContact O-CB 3.27Å; T197-T200 WeakPolarHBondContact O-CB 3.46Å; T197-T200 PolarHBondContact O-N 3.4Å; A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 2.85Å; T200-Q203 PolarHBondContact O-N 3.5Å; T200-Q204 PolarHBondContact O-N 3.11Å; T200-V217 HydrophobicContact CG2-CG1 3.79Å; T200-A219 HydrophobicContact CG2-CB 3.89Å |
| 201 | M | 98.7 | Very high | 98.5 | Very high | 32 Ų | 32 | 29.3 Ų | 29.3 | 16% | 0.158 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 180 | -59.3 | 178 | 178.9 | 0 | 0 | 111.2 | T197 A198 L199 Q204 R205 G259 W270 | T197-M201 HydrophobicContact CG2-CE 4.1Å; T197-M201 PolarHBondContact O-N 3.43Å; A198-M201 WeakPolarHBondContact O-CB 3.46Å; A198-M201 PolarHBondContact O-N 3.3Å; A198-M201 VanDerWaalsContact O-N 3.1Å; L199-M201 VanDerWaalsContact C-N 3.31Å; L199-M201 PolarHBondContact O-N 2.83Å; M201-Q204 PolarHBondContact O-N 3.08Å; M201-R205 WeakPolarHBondContact O-CG 3.49Å; M201-R205 PolarHBondContact O-N 3.25Å; M201-R205 VanDerWaalsContact O-N 3.13Å; M201-G259 WeakPolarHBondContact CG-O 3.47Å; M201-W270 HydrophobicContact CE-CB 3.74Å; M201-W270 HydrophobicContact CE-CD2 3.51Å; M201-W270 HydrophobicContact CE-CE3 3.34Å; M201-W270 HydrophobicContact CE-CG 3.69Å; M201-W270 HydrophobicContact CE-CZ3 4.05Å; M201-W270 HydrophobicContact SD-CD2 4.21Å; M201-W270 HydrophobicContact SD-CE3 3.48Å; M201-W270 HydrophobicContact SD-CH2 4.46Å; M201-W270 HydrophobicContact SD-CZ3 3.61Å |
| 202 | I | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.4 | -65.1 | 168.3 | 0 | 0 | 0 | 110.6 | L158 K160 L163 A198 L199 Q204 R205 M206 | L158-I202 HydrophobicContact CD2-CD1 3.99Å; L158-I202 HydrophobicContact CG-CD1 4.02Å; K160-I202 HydrophobicContact CB-CG2 4.12Å; L163-I202 HydrophobicContact CB-CD1 3.89Å; L163-I202 HydrophobicContact CD2-CD1 3.58Å; L163-I202 HydrophobicContact CG-CD1 4.36Å; A198-I202 WeakPolarHBondContact O-CG1 3.44Å; A198-I202 PolarHBondContact O-N 2.94Å; L199-I202 PolarHBondContact O-N 3.35Å; I202-Q204 PolarHBondContact O-N 2.93Å; I202-R205 WeakPolarHBondContact O-CB 3.48Å; I202-R205 PolarHBondContact O-N 3.29Å; I202-R205 VanDerWaalsContact O-N 3.12Å; I202-M206 HydrophobicContact CG2-CG 4.3Å; I202-M206 HydrophobicContact CG2-SD 3.89Å; I202-M206 WeakPolarHBondContact O-CG 3.48Å; I202-M206 PolarHBondContact O-N 2.84Å |
| 203 | Q | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 179.4 | -80.2 | 172.8 | -12.9 | 0 | 0 | 112.1 | C118 F122 N133 L199 T200 M206 L207 V217 | C118-Q203 PolarHBondContact SG-NE2 3.28Å; C118-Q203 VanDerWaalsContact SG-NE2 3.39Å; F122-Q203 HydrophobicContact CE2-CB 3.8Å; F122-Q203 HydrophobicContact CE2-CG 3.74Å; F122-Q203 HydrophobicContact CZ-CB 4.02Å; F122-Q203 HydrophobicContact CZ-CG 3.93Å; N133-Q203 PolarHBondContact ND2-OE1 3.19Å; L199-Q203 HydrophobicContact CD1-CG 4.12Å; L199-Q203 HydrophobicContact CG-CG 4.21Å; L199-Q203 VanDerWaalsContact O-CB 3.29Å; L199-Q203 WeakPolarHBondContact O-CB 3.45Å; L199-Q203 VanDerWaalsContact O-CG 3.22Å; L199-Q203 WeakPolarHBondContact O-CG 3.29Å; L199-Q203 PolarHBondContact O-N 2.95Å; T200-Q203 PolarHBondContact O-N 3.5Å; Q203-M206 PolarHBondContact O-N 3.35Å; Q203-L207 WeakPolarHBondContact O-CG 3.39Å; Q203-L207 PolarHBondContact O-N 2.9Å; Q203-L207 VanDerWaalsContact O-N 3.07Å; Q203-V217 HydrophobicContact CB-CG1 4.1Å; Q203-V217 HydrophobicContact CB-CG2 4.5Å |
| 204 | Q | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 173 | -176.1 | 66.6 | 58.3 | 0 | 0 | 110.9 | T200 M201 I202 M206 L207 D208 V215 V217 R258 | T200-Q204 PolarHBondContact O-N 3.11Å; M201-Q204 PolarHBondContact O-N 3.08Å; I202-Q204 PolarHBondContact O-N 2.93Å; Q204-M206 VanDerWaalsContact C-N 3.26Å; Q204-M206 PolarHBondContact O-N 3.26Å; Q204-L207 PolarHBondContact O-N 2.9Å; Q204-D208 PolarHBondContact NE2-OD1 3.47Å; Q204-D208 PolarHBondContact O-N 3.41Å; Q204-V215 PolarHBondContact NE2-O 3.45Å; Q204-V217 HydrophobicContact CB-CB 4.37Å; Q204-R258 HydrophobicContact CG-CB 4.03Å |
| 205 | R | 98.3 | Very high | 98 | Very high | 61 Ų | 61 | 36.8 Ų | 36.8 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -36.3 | 178.7 | -69.2 | -169.9 | -62.7 | -126 | 16.7 | 112.8 | S155 P156 L158 M201 I202 K209 | S155-R205 PolarHBondContact O-NH1 3.36Å; S155-R205 VanDerWaalsContact O-NH1 3.13Å; S155-R205 PolarHBondContact O-NH2 3.02Å; P156-R205 VanDerWaalsContact CA-NH1 3.29Å; P156-R205 WeakPolarHBondContact O-CD 3.44Å; P156-R205 PolarHBondContact O-NE 2.72Å; P156-R205 PolarHBondContact O-NH1 3.18Å; L158-R205 PolarHBondContact O-NH2 3.25Å; M201-R205 WeakPolarHBondContact O-CG 3.49Å; M201-R205 PolarHBondContact O-N 3.25Å; M201-R205 VanDerWaalsContact O-N 3.13Å; I202-R205 WeakPolarHBondContact O-CB 3.48Å; I202-R205 PolarHBondContact O-N 3.29Å; I202-R205 VanDerWaalsContact O-N 3.12Å; R205-K209 VanDerWaalsContact O-CG 3.3Å; R205-K209 WeakPolarHBondContact O-CG 3.43Å; R205-K209 PolarHBondContact O-N 2.89Å |
| 206 | M | 98.2 | Very high | 98 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.9 | -49 | 176.6 | -71.6 | 172 | 63.5 | 0 | 0 | 111 | I202 Q203 Q204 D208 K209 E210 | I202-M206 HydrophobicContact CG2-CG 4.3Å; I202-M206 HydrophobicContact CG2-SD 3.89Å; I202-M206 WeakPolarHBondContact O-CG 3.48Å; I202-M206 PolarHBondContact O-N 2.84Å; Q203-M206 PolarHBondContact O-N 3.35Å; Q204-M206 VanDerWaalsContact C-N 3.26Å; Q204-M206 PolarHBondContact O-N 3.26Å; M206-D208 VanDerWaalsContact C-N 3.31Å; M206-D208 PolarHBondContact O-N 3.01Å; M206-K209 WeakPolarHBondContact O-CB 3.42Å; M206-K209 PolarHBondContact O-N 3.49Å; M206-K209 VanDerWaalsContact O-N 3.16Å; M206-E210 WeakPolarHBondContact O-CG 3.49Å; M206-E210 PolarHBondContact O-N 3.1Å |
| 207 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.8 | -71.2 | 165.7 | 0 | 0 | 0 | 111.9 | F122 Q203 Q204 K209 E210 G211 R212 V215 V217 | F122-L207 HydrophobicContact CD2-CD1 4.47Å; F122-L207 HydrophobicContact CD2-CD2 4.36Å; F122-L207 HydrophobicContact CD2-CG 4.49Å; F122-L207 HydrophobicContact CE2-CD1 4.14Å; F122-L207 HydrophobicContact CE2-CG 4.46Å; Q203-L207 WeakPolarHBondContact O-CG 3.39Å; Q203-L207 PolarHBondContact O-N 2.9Å; Q203-L207 VanDerWaalsContact O-N 3.07Å; Q204-L207 PolarHBondContact O-N 2.9Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 3.43Å; L207-E210 PolarHBondContact O-N 2.89Å; L207-G211 PolarHBondContact O-N 3.34Å; L207-R212 HydrophobicContact CB-CB 4.29Å; L207-R212 HydrophobicContact CD2-CB 4.05Å; L207-R212 VanDerWaalsContact CD2-CZ 3.48Å; L207-R212 CarbonylContact O-C 3.17Å; L207-R212 WeakPolarHBondContact O-CA 3.42Å; L207-R212 PolarHBondContact O-N 3.06Å; L207-V215 HydrophobicContact CD1-CB 4.23Å; L207-V215 HydrophobicContact CD1-CG1 3.73Å; L207-V217 HydrophobicContact CD1-CG2 3.35Å |
| 208 | D | 98 | Very high | 98 | Very high | 68 Ų | 68 | 37 Ų | 37 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 176.2 | -63.7 | -21.9 | 0 | 0 | 0 | 111.3 | Q204 M206 E210 G211 | Q204-D208 PolarHBondContact NE2-OD1 3.47Å; Q204-D208 PolarHBondContact O-N 3.41Å; M206-D208 VanDerWaalsContact C-N 3.31Å; M206-D208 PolarHBondContact O-N 3.01Å; D208-E210 VanDerWaalsContact C-N 3.32Å; D208-E210 PolarHBondContact O-N 3Å; D208-G211 PolarHBondContact O-N 3.18Å; D208-G211 VanDerWaalsContact O-N 3.13Å |
| 209 | K | 97.5 | Very high | 98 | Very high | 181 Ų | 181 | 37 Ų | 37 | 79% | 0.787 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -66.2 | -31.6 | 176.4 | -75.4 | 175.6 | -178.9 | -177.8 | 0 | 113.2 | R205 M206 L207 G211 | R205-K209 VanDerWaalsContact O-CG 3.3Å; R205-K209 WeakPolarHBondContact O-CG 3.43Å; R205-K209 PolarHBondContact O-N 2.89Å; M206-K209 WeakPolarHBondContact O-CB 3.42Å; M206-K209 PolarHBondContact O-N 3.49Å; M206-K209 VanDerWaalsContact O-N 3.16Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 3.43Å; K209-G211 PolarHBondContact O-N 3.49Å |
| 210 | E | 96.7 | Very high | 98 | Very high | 124 Ų | 124 | 36.9 Ų | 36.9 | 58% | 0.579 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.4 | 175 | -69.7 | 169.4 | -167.3 | 0 | 0 | 112.8 | M206 L207 D208 R212 | M206-E210 WeakPolarHBondContact O-CG 3.49Å; M206-E210 PolarHBondContact O-N 3.1Å; L207-E210 PolarHBondContact O-N 2.89Å; D208-E210 VanDerWaalsContact C-N 3.32Å; D208-E210 PolarHBondContact O-N 3Å; E210-R212 VanDerWaalsContact C-N 3.26Å; E210-R212 PolarHBondContact O-N 3.41Å |
| 211 | G | 97.4 | Very high | 98 | Very high | 60 Ų | 60 | 37 Ų | 37 | 62% | 0.619 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 11.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L207 D208 K209 S213 | L207-G211 PolarHBondContact O-N 3.34Å; D208-G211 PolarHBondContact O-N 3.18Å; D208-G211 VanDerWaalsContact O-N 3.13Å; K209-G211 PolarHBondContact O-N 3.49Å; G211-S213 VanDerWaalsContact C-N 3.3Å; G211-S213 PolarHBondContact O-N 3.04Å |
| 212 | R | 97.1 | Very high | 98 | Very high | 51 Ų | 51 | 36.2 Ų | 36.2 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | trans | -96 | 44.1 | 177.5 | -72.6 | -167.3 | 50.6 | -142.6 | -14.4 | 112.6 | F122 L207 E210 D214 V215 | F122-R212 PolarHBondContact O-NH1 3.45Å; L207-R212 HydrophobicContact CB-CB 4.29Å; L207-R212 HydrophobicContact CD2-CB 4.05Å; L207-R212 VanDerWaalsContact CD2-CZ 3.48Å; L207-R212 CarbonylContact O-C 3.17Å; L207-R212 WeakPolarHBondContact O-CA 3.42Å; L207-R212 PolarHBondContact O-N 3.06Å; E210-R212 VanDerWaalsContact C-N 3.26Å; E210-R212 PolarHBondContact O-N 3.41Å; R212-D214 VanDerWaalsContact C-OD1 3.3Å; R212-D214 WeakPolarHBondContact CA-OD1 3.49Å; R212-D214 PolarHBondContact O-N 3.03Å; R212-D214 VanDerWaalsContact O-N 3.11Å; R212-V215 PolarHBondContact O-N 3.04Å; R212-V215 VanDerWaalsContact O-N 3.13Å | ||
| 213 | S | 93.4 | Very high | 98 | Very high | 68 Ų | 68 | 36.6 Ų | 36.6 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -2.9 | 178 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | G211 V215 R258 | G211-S213 VanDerWaalsContact C-N 3.3Å; G211-S213 PolarHBondContact O-N 3.04Å; S213-V215 VanDerWaalsContact C-N 3.34Å; S213-R258 PolarHBondContact O-NH1 3.4Å |
| 214 | D | 96.6 | Very high | 97.9 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -23.8 | 170.5 | 64.5 | -58.4 | 0 | 0 | 0 | 112.6 | R127 N128 R212 | R127-D214 WeakPolarHBondContact CA-OD2 3.22Å; R127-D214 WeakPolarHBondContact CG-OD2 3.43Å; N128-D214 WeakPolarHBondContact CA-O 3.42Å; N128-D214 PolarHBondContact N-OD2 2.85Å; R212-D214 VanDerWaalsContact C-OD1 3.3Å; R212-D214 WeakPolarHBondContact CA-OD1 3.49Å; R212-D214 PolarHBondContact O-N 3.03Å; R212-D214 VanDerWaalsContact O-N 3.11Å |
| 215 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -87.4 | 138.6 | 178.4 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L125 G129 Q204 L207 R212 S213 | L125-V215 HydrophobicContact CD1-CG1 4.03Å; G129-V215 WeakPolarHBondContact O-CA 3.47Å; Q204-V215 PolarHBondContact NE2-O 3.45Å; L207-V215 HydrophobicContact CD1-CB 4.23Å; L207-V215 HydrophobicContact CD1-CG1 3.73Å; R212-V215 PolarHBondContact O-N 3.04Å; R212-V215 VanDerWaalsContact O-N 3.13Å; S213-V215 VanDerWaalsContact C-N 3.34Å | ||
| 216 | I | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.2 | -180 | -57.1 | -178.8 | 0 | 0 | 0 | 109.1 | G129 V131 N218 A253 L256 R258 | G129-I216 PolarHBondContact O-N 2.73Å; V131-I216 PolarHBondContact N-O 3.31Å; I216-N218 VanDerWaalsContact CG2-ND2 3.29Å; I216-N218 WeakPolarHBondContact CG2-ND2 3.3Å; I216-A253 HydrophobicContact CD1-CB 4.07Å; I216-L256 HydrophobicContact CD1-CB 4.21Å; I216-R258 HydrophobicContact CD1-CG 4.42Å; I216-R258 HydrophobicContact CG1-CG 4.18Å; I216-R258 VanDerWaalsContact CG1-NH1 3.29Å; I216-R258 HydrophobicContact CG2-CG 4.33Å |
| 217 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.8 | 173 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | F122 V131 T200 Q203 Q204 L207 G259 | F122-V217 HydrophobicContact CZ-CG2 4.3Å; V131-V217 HydrophobicContact CB-CB 4.26Å; V131-V217 HydrophobicContact CB-CG1 3.97Å; V131-V217 HydrophobicContact CB-CG2 4.01Å; V131-V217 HydrophobicContact CG1-CG1 3.98Å; V131-V217 HydrophobicContact CG2-CG2 4.22Å; V131-V217 WeakPolarHBondContact O-CA 3.22Å; T200-V217 HydrophobicContact CG2-CG1 3.79Å; Q203-V217 HydrophobicContact CB-CG1 4.1Å; Q203-V217 HydrophobicContact CB-CG2 4.5Å; Q204-V217 HydrophobicContact CB-CB 4.37Å; L207-V217 HydrophobicContact CD1-CG2 3.35Å; V217-G259 VanDerWaalsContact O-CA 3.23Å; V217-G259 WeakPolarHBondContact O-CA 3.46Å; V217-G259 PolarHBondContact O-N 2.87Å |
| 218 | N | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.6 | 177.7 | -80 | -39.8 | 0 | 0 | 0 | 111.4 | V131 V132 N133 I216 L248 A257 G259 K260 Y262 | V131-N218 PolarHBondContact O-N 2.81Å; V132-N218 WeakPolarHBondContact CA-O 3.29Å; N133-N218 PolarHBondContact N-O 3.28Å; I216-N218 VanDerWaalsContact CG2-ND2 3.29Å; I216-N218 WeakPolarHBondContact CG2-ND2 3.3Å; N218-L248 HydrophobicContact CB-CD1 3.89Å; N218-L248 HydrophobicContact CB-CD2 4.16Å; N218-A257 PolarHBondContact ND2-O 3.27Å; N218-A257 PolarHBondContact OD1-O 3.13Å; N218-G259 PolarHBondContact OD1-N 3.32Å; N218-K260 PolarHBondContact OD1-N 2.87Å; N218-K260 PolarHBondContact OD1-O 3.23Å; N218-Y262 HydrophobicContact CB-CD2 4.44Å |
| 219 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 152 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109 | N133 T197 T200 K260 F261 Y262 | N133-A219 CarbonylContact O-C 3.46Å; N133-A219 VanDerWaalsContact O-CA 3.25Å; N133-A219 WeakPolarHBondContact O-CA 3.38Å; T197-A219 HydrophobicContact CG2-CB 3.94Å; T200-A219 HydrophobicContact CG2-CB 3.89Å; A219-K260 PolarHBondContact N-O 3.25Å; A219-F261 HydrophobicContact CB-CD2 3.87Å; A219-F261 CarbonylContact O-C 3.25Å; A219-F261 WeakPolarHBondContact O-CA 3.45Å; A219-Y262 PolarHBondContact O-N 3.14Å |
| 220 | C | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 162.6 | 171.5 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | N133 S135 T244 L248 Y262 | N133-C220 PolarHBondContact O-N 3.18Å; S135-C220 CarbonylContact C-O 3.55Å; S135-C220 VanDerWaalsContact CA-O 3.24Å; S135-C220 WeakPolarHBondContact CA-O 3.34Å; S135-C220 PolarHBondContact N-O 3.21Å; C220-T244 HydrophobicContact CB-CG2 3.63Å; C220-L248 HydrophobicContact CB-CD1 3.64Å; C220-Y262 CarbonylContact C-O 3.52Å; C220-Y262 WeakPolarHBondContact CA-O 3.47Å; C220-Y262 WeakPolarHBondContact CB-O 3.41Å |
| 221 | C | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.1 | 165.1 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | Q137 G223 F261 Y262 Y263 | Q137-C221 HydrophobicContact CG-CB 4.03Å; Q137-C221 PolarHBondContact N-SG 3.2Å; C221-G223 PolarHBondContact O-N 3.13Å; C221-G223 PolarHBondContact SG-N 3.35Å; C221-F261 HydrophobicContact CB-CE1 4.33Å; C221-F261 HydrophobicContact CB-CZ 3.76Å; C221-Y262 PolarHBondContact N-O 2.86Å; C221-Y263 HydrophobicContact CB-CD2 3.73Å; C221-Y263 HydrophobicContact CB-CE2 4.43Å; C221-Y263 HydrophobicContact CB-CG 4.24Å; C221-Y263 WeakPolarHBondContact O-CD2 3.27Å |
| 222 | P | 98.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 10% | 0.097 | 19% | 0.189 | C | C | . | . | trans | -78.6 | -7.6 | 170.6 | 33.3 | -34.9 | 0 | 0 | 0 | 112.9 | I9 V134 S135 V225 G241 | I9-P222 HydrophobicContact CD1-CB 3.69Å; I9-P222 HydrophobicContact CD1-CG 3.6Å; I9-P222 HydrophobicContact CG1-CB 4.39Å; I9-P222 HydrophobicContact CG2-CB 4.22Å; V134-P222 HydrophobicContact CG1-CB 4.32Å; V134-P222 HydrophobicContact CG1-CG 3.85Å; S135-P222 WeakPolarHBondContact O-CD 3.49Å; P222-V225 HydrophobicContact CB-CG2 4.34Å; P222-V225 WeakPolarHBondContact O-CG2 3.4Å; P222-G241 WeakPolarHBondContact CA-O 3.35Å; P222-G241 WeakPolarHBondContact CB-O 3.39Å; P222-G241 VanDerWaalsContact O-CA 3.3Å; P222-G241 WeakPolarHBondContact O-CA 3.44Å | ||
| 223 | G | 97.8 | Very high | 97.1 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | trans | 87 | -171.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C221 V225 | C221-G223 PolarHBondContact O-N 3.13Å; C221-G223 PolarHBondContact SG-N 3.35Å; G223-V225 PolarHBondContact O-N 3.24Å | ||
| 224 | Y | 97.4 | Very high | 97.2 | Very high | 117 Ų | 117 | 37.2 Ų | 37.2 | 46% | 0.459 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -91.4 | 93.2 | 178.8 | -166.7 | -135.6 | 0 | 0 | 0 | 109.7 | T230 K233 G234 P235 L236 | Y224-T230 HydrophobicContact CD2-CG2 3.62Å; Y224-T230 HydrophobicContact CE2-CG2 3.4Å; Y224-K233 HydrophobicContact CE1-CB 4.25Å; Y224-K233 WeakPolarHBondContact CE1-O 3.44Å; Y224-K233 VanDerWaalsContact OH-CB 3.26Å; Y224-K233 WeakPolarHBondContact OH-CB 3.43Å; Y224-G234 CarbonylContact O-C 3.52Å; Y224-G234 VanDerWaalsContact O-CA 3.27Å; Y224-G234 WeakPolarHBondContact O-CA 3.33Å; Y224-P235 WeakPolarHBondContact O-CD 3.4Å; Y224-L236 PolarHBondContact O-N 2.99Å |
| 225 | V | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 139.4 | -167.9 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | I9 P222 G223 T227 T230 L236 T237 I238 | I9-V225 HydrophobicContact CD1-CB 4.03Å; I9-V225 HydrophobicContact CD1-CG1 4.41Å; I9-V225 HydrophobicContact CD1-CG2 3.86Å; I9-V225 HydrophobicContact CG1-CB 4.1Å; I9-V225 HydrophobicContact CG1-CG1 3.92Å; I9-V225 HydrophobicContact CG1-CG2 4.03Å; P222-V225 HydrophobicContact CB-CG2 4.34Å; P222-V225 WeakPolarHBondContact O-CG2 3.4Å; G223-V225 PolarHBondContact O-N 3.24Å; V225-T227 HydrophobicContact CB-CG2 4.3Å; V225-T227 HydrophobicContact CG1-CG2 3.87Å; V225-T227 PolarHBondContact O-N 2.91Å; V225-T227 PolarHBondContact O-OG1 3.19Å; V225-T230 WeakPolarHBondContact O-CB 3.44Å; V225-T230 WeakPolarHBondContact O-CG2 3.42Å; V225-T230 PolarHBondContact O-OG1 2.76Å; V225-L236 CarbonylContact C-O 3.47Å; V225-L236 WeakPolarHBondContact CA-O 3.47Å; V225-L236 WeakPolarHBondContact CG1-O 3.45Å; V225-L236 HydrophobicContact CG2-CB 4.24Å; V225-T237 WeakPolarHBondContact CG1-O 3.39Å; V225-I238 HydrophobicContact CG1-CB 4.45Å; V225-I238 HydrophobicContact CG1-CG2 4.01Å |
| 226 | D | 97.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -62.5 | 97.4 | 171.6 | -173.7 | -4.8 | 0 | 0 | 0 | 110.7 | H232 G234 L236 | D226-H232 WeakPolarHBondContact OD1-CA 3.33Å; D226-H232 WeakPolarHBondContact OD1-CB 3.33Å; D226-H232 IonicContact OD1-CE1 3.31Å; D226-H232 IonicContact OD1-CG 3.73Å; D226-H232 VanDerWaalsContact OD1-CG 3.28Å; D226-H232 IonicContact OD1-ND1 2.68Å; D226-H232 PolarHBondContact OD1-ND1 3.32Å; D226-G234 WeakPolarHBondContact CB-O 3.4Å; D226-L236 PolarHBondContact N-O 3.12Å |
| 227 | T | 97.2 | Very high | 97.3 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -151.3 | 168.2 | 180 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | I9 V225 L229 T230 S231 H232 I238 | I9-T227 HydrophobicContact CG1-CG2 4.36Å; V225-T227 HydrophobicContact CB-CG2 4.3Å; V225-T227 HydrophobicContact CG1-CG2 3.87Å; V225-T227 PolarHBondContact O-N 2.91Å; V225-T227 PolarHBondContact O-OG1 3.19Å; T227-L229 PolarHBondContact O-N 3.41Å; T227-L229 VanDerWaalsContact O-N 3.14Å; T227-L229 PolarHBondContact OG1-N 3.14Å; T227-T230 PolarHBondContact N-OG1 3.23Å; T227-T230 PolarHBondContact O-N 2.89Å; T227-T230 VanDerWaalsContact O-N 3.1Å; T227-T230 PolarHBondContact O-OG1 3.41Å; T227-T230 VanDerWaalsContact O-OG1 3.08Å; T227-S231 PolarHBondContact O-N 3.32Å; T227-H232 PolarHBondContact O-N 3.16Å; T227-I238 HydrophobicContact CG2-CG2 3.86Å |
| 228 | D | 94.5 | Very high | 97.2 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -49.7 | -38.8 | 168.9 | -59.5 | -3.5 | 0 | 0 | 0 | 112.2 | K7 K92 T230 S231 H232 | K7-D228 IonicContact NZ-OD2 3.49Å; K7-D228 PolarHBondContact NZ-OD2 3.4Å; K92-D228 PolarHBondContact NZ-O 3.2Å; D228-T230 VanDerWaalsContact C-N 3.3Å; D228-T230 PolarHBondContact O-N 3.15Å; D228-S231 PolarHBondContact O-N 3.45Å; D228-S231 VanDerWaalsContact O-N 3.16Å; D228-H232 IonicContact OD1-CE1 2.75Å; D228-H232 IonicContact OD1-NE2 2.97Å; D228-H232 PolarHBondContact OD1-NE2 2.77Å |
| 229 | L | 94.2 | Very high | 97.2 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -62.8 | -39.2 | -176.7 | -173.4 | 138.9 | 0 | 0 | 0 | 111.3 | A90 K92 T227 S231 | A90-L229 HydrophobicContact CB-CD1 4.27Å; A90-L229 HydrophobicContact CB-CD2 4.34Å; A90-L229 HydrophobicContact CB-CG 4.11Å; K92-L229 PolarHBondContact NZ-O 2.81Å; T227-L229 PolarHBondContact O-N 3.41Å; T227-L229 VanDerWaalsContact O-N 3.14Å; T227-L229 PolarHBondContact OG1-N 3.14Å; L229-S231 VanDerWaalsContact C-N 3.33Å |
| 230 | T | 94.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -89.9 | 4.9 | 179.4 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | Y224 V225 T227 D228 H232 K233 | Y224-T230 HydrophobicContact CD2-CG2 3.62Å; Y224-T230 HydrophobicContact CE2-CG2 3.4Å; V225-T230 WeakPolarHBondContact O-CB 3.44Å; V225-T230 WeakPolarHBondContact O-CG2 3.42Å; V225-T230 PolarHBondContact O-OG1 2.76Å; T227-T230 PolarHBondContact N-OG1 3.23Å; T227-T230 PolarHBondContact O-N 2.89Å; T227-T230 VanDerWaalsContact O-N 3.1Å; T227-T230 PolarHBondContact O-OG1 3.41Å; T227-T230 VanDerWaalsContact O-OG1 3.08Å; D228-T230 VanDerWaalsContact C-N 3.3Å; D228-T230 PolarHBondContact O-N 3.15Å; T230-H232 PolarHBondContact O-N 3.25Å; T230-K233 WeakPolarHBondContact O-CB 3.31Å; T230-K233 PolarHBondContact O-N 2.99Å |
| 231 | S | 95.2 | Very high | 97.2 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 37.3 | -170.7 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | K92 T227 D228 L229 K233 | K92-S231 WeakPolarHBondContact CE-OG 3.5Å; K92-S231 PolarHBondContact NZ-OG 3.01Å; T227-S231 PolarHBondContact O-N 3.32Å; D228-S231 PolarHBondContact O-N 3.45Å; D228-S231 VanDerWaalsContact O-N 3.16Å; L229-S231 VanDerWaalsContact C-N 3.33Å; S231-K233 PolarHBondContact O-N 2.98Å |
| 232 | H | 96 | Very high | 97.2 | Very high | 114 Ų | 114 | 59.2 Ų | 59.2 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.6 | -178.6 | -57.1 | -74.9 | 0 | 0 | 0 | 115.2 | D226 T227 D228 T230 | D226-H232 WeakPolarHBondContact OD1-CA 3.33Å; D226-H232 WeakPolarHBondContact OD1-CB 3.33Å; D226-H232 IonicContact OD1-CE1 3.31Å; D226-H232 IonicContact OD1-CG 3.73Å; D226-H232 VanDerWaalsContact OD1-CG 3.28Å; D226-H232 IonicContact OD1-ND1 2.68Å; D226-H232 PolarHBondContact OD1-ND1 3.32Å; T227-H232 PolarHBondContact O-N 3.16Å; D228-H232 IonicContact OD1-CE1 2.75Å; D228-H232 IonicContact OD1-NE2 2.97Å; D228-H232 PolarHBondContact OD1-NE2 2.77Å; T230-H232 PolarHBondContact O-N 3.25Å |
| 233 | K | 96.1 | Very high | 97.2 | Very high | 151 Ų | 151 | 62.6 Ų | 62.6 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | trans | -96.8 | -5.3 | 178.9 | -65.4 | -178.6 | -179.3 | -177.6 | 0 | 113.5 | Y224 T230 S231 | Y224-K233 HydrophobicContact CE1-CB 4.25Å; Y224-K233 WeakPolarHBondContact CE1-O 3.44Å; Y224-K233 VanDerWaalsContact OH-CB 3.26Å; Y224-K233 WeakPolarHBondContact OH-CB 3.43Å; T230-K233 WeakPolarHBondContact O-CB 3.31Å; T230-K233 PolarHBondContact O-N 2.99Å; S231-K233 PolarHBondContact O-N 2.98Å | ||
| 234 | G | 96.5 | Very high | 97.3 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | trans | -75.2 | 135.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y224 D226 L236 | Y224-G234 CarbonylContact O-C 3.52Å; Y224-G234 VanDerWaalsContact O-CA 3.27Å; Y224-G234 WeakPolarHBondContact O-CA 3.33Å; D226-G234 WeakPolarHBondContact CB-O 3.4Å; G234-L236 VanDerWaalsContact C-N 3.32Å | ||
| 235 | P | 97.7 | Very high | 97.4 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -76.8 | -17.3 | 177.5 | 31 | -37.6 | 0 | 0 | 0 | 113.7 | Y224 | Y224-P235 WeakPolarHBondContact O-CD 3.4Š|
| 236 | L | 98.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 142.1 | -177.5 | -57.7 | 179.3 | 0 | 0 | 0 | 111.2 | Y224 V225 D226 G234 E240 | Y224-L236 PolarHBondContact O-N 2.99Å; V225-L236 CarbonylContact C-O 3.47Å; V225-L236 WeakPolarHBondContact CA-O 3.47Å; V225-L236 WeakPolarHBondContact CG1-O 3.45Å; V225-L236 HydrophobicContact CG2-CB 4.24Å; D226-L236 PolarHBondContact N-O 3.12Å; G234-L236 VanDerWaalsContact C-N 3.32Å; L236-E240 HydrophobicContact CB-CB 4.26Å |
| 237 | T | 98.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | trans | -70.5 | 158.7 | 169.1 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | V225 R239 E240 G241 | V225-T237 WeakPolarHBondContact CG1-O 3.39Å; T237-R239 PolarHBondContact O-N 3.33Å; T237-R239 VanDerWaalsContact O-N 3.17Å; T237-E240 WeakPolarHBondContact CB-OE2 3.24Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.48Å; T237-E240 PolarHBondContact N-OE2 3.16Å; T237-E240 PolarHBondContact O-N 3.48Å; T237-E240 WeakPolarHBondContact OG1-CG 3.49Å; T237-E240 PolarHBondContact OG1-N 2.74Å; T237-E240 PolarHBondContact OG1-OE2 2.93Å; T237-G241 PolarHBondContact O-N 3.16Å | ||
| 238 | I | 98.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.9 | -29.8 | 174 | 61.1 | 170.6 | 0 | 0 | 0 | 112.8 | Y11 A12 V225 T227 G241 A242 | Y11-I238 HydrophobicContact CD1-CD1 4.27Å; A12-I238 HydrophobicContact CB-CB 3.89Å; A12-I238 HydrophobicContact CB-CD1 4.07Å; A12-I238 HydrophobicContact CB-CG1 3.9Å; A12-I238 WeakPolarHBondContact CB-O 3.47Å; V225-I238 HydrophobicContact CG1-CB 4.45Å; V225-I238 HydrophobicContact CG1-CG2 4.01Å; T227-I238 HydrophobicContact CG2-CG2 3.86Å; I238-G241 PolarHBondContact O-N 3.32Å; I238-A242 WeakPolarHBondContact O-CB 3.47Å; I238-A242 PolarHBondContact O-N 2.86Å |
| 239 | R | 98.5 | Very high | 97.7 | Very high | 145 Ų | 145 | 50.9 Ų | 50.9 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69 | -46.9 | 177.4 | -69.7 | -174 | 179.7 | 175.2 | 0.5 | 111.4 | T237 G241 A242 E243 | T237-R239 PolarHBondContact O-N 3.33Å; T237-R239 VanDerWaalsContact O-N 3.17Å; R239-G241 VanDerWaalsContact C-N 3.27Å; R239-G241 PolarHBondContact O-N 2.87Å; R239-A242 PolarHBondContact O-N 3.24Å; R239-A242 VanDerWaalsContact O-N 3.14Å; R239-E243 PolarHBondContact O-N 2.96Å |
| 240 | E | 98.7 | Very high | 97.9 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 173.7 | -70.9 | 165.6 | 117.3 | 0 | 0 | 111.1 | L236 T237 A242 E243 | L236-E240 HydrophobicContact CB-CB 4.26Å; T237-E240 WeakPolarHBondContact CB-OE2 3.24Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.48Å; T237-E240 PolarHBondContact N-OE2 3.16Å; T237-E240 PolarHBondContact O-N 3.48Å; T237-E240 WeakPolarHBondContact OG1-CG 3.49Å; T237-E240 PolarHBondContact OG1-N 2.74Å; T237-E240 PolarHBondContact OG1-OE2 2.93Å; E240-A242 PolarHBondContact O-N 2.95Å; E240-E243 WeakPolarHBondContact O-CB 3.47Å; E240-E243 PolarHBondContact O-N 3.38Å |
| 241 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -30.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P222 T237 I238 R239 P245 | P222-G241 WeakPolarHBondContact CA-O 3.35Å; P222-G241 WeakPolarHBondContact CB-O 3.39Å; P222-G241 VanDerWaalsContact O-CA 3.3Å; P222-G241 WeakPolarHBondContact O-CA 3.44Å; T237-G241 PolarHBondContact O-N 3.16Å; I238-G241 PolarHBondContact O-N 3.32Å; R239-G241 VanDerWaalsContact C-N 3.27Å; R239-G241 PolarHBondContact O-N 2.87Å; G241-P245 WeakPolarHBondContact O-CD 3.39Å |
| 242 | A | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.2 | -13.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A12 I13 I238 R239 E240 T244 P245 L246 | A12-A242 HydrophobicContact CB-CB 3.68Å; I13-A242 HydrophobicContact CG1-CB 3.68Å; I238-A242 WeakPolarHBondContact O-CB 3.47Å; I238-A242 PolarHBondContact O-N 2.86Å; R239-A242 PolarHBondContact O-N 3.24Å; R239-A242 VanDerWaalsContact O-N 3.14Å; E240-A242 PolarHBondContact O-N 2.95Å; A242-T244 PolarHBondContact O-N 3.5Å; A242-P245 WeakPolarHBondContact O-CD 3.5Å; A242-L246 HydrophobicContact CB-CD1 3.7Å; A242-L246 VanDerWaalsContact O-CB 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.16Å; A242-L246 WeakPolarHBondContact O-CD1 3.31Å; A242-L246 WeakPolarHBondContact O-CG 3.42Å; A242-L246 PolarHBondContact O-N 2.76Å |
| 243 | E | 98.8 | Very high | 98 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | -175.6 | -72.7 | -168.6 | -165.1 | 0 | 0 | 113.7 | R239 E240 L246 F247 K265 | R239-E243 PolarHBondContact O-N 2.96Å; E240-E243 WeakPolarHBondContact O-CB 3.47Å; E240-E243 PolarHBondContact O-N 3.38Å; E243-L246 PolarHBondContact O-N 3.3Å; E243-F247 VanDerWaalsContact O-CB 3.3Å; E243-F247 WeakPolarHBondContact O-CB 3.34Å; E243-F247 PolarHBondContact O-N 2.95Å; E243-K265 WeakPolarHBondContact OE2-CE 3.4Å; E243-K265 IonicContact OE2-NZ 2.86Å; E243-K265 PolarHBondContact OE2-NZ 2.74Å |
| 244 | T | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.3 | -45.9 | -176.9 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | C220 A242 L246 F247 L248 K264 K265 | C220-T244 HydrophobicContact CB-CG2 3.63Å; A242-T244 PolarHBondContact O-N 3.5Å; T244-L246 VanDerWaalsContact C-N 3.28Å; T244-L246 PolarHBondContact O-N 3.25Å; T244-F247 PolarHBondContact O-N 3.16Å; T244-L248 PolarHBondContact O-N 2.93Å; T244-K264 WeakPolarHBondContact OG1-CA 3.4Å; T244-K264 PolarHBondContact OG1-N 2.99Å; T244-K265 PolarHBondContact OG1-N 3.49Å |
| 245 | P | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.7 | -41 | 172.7 | -25.4 | 31.6 | 0 | 0 | 0 | 113.4 | I13 I84 V132 V134 G241 A242 L248 A249 | I13-P245 HydrophobicContact CD1-CB 3.68Å; I13-P245 HydrophobicContact CD1-CG 3.89Å; I13-P245 HydrophobicContact CG1-CB 4.1Å; I13-P245 HydrophobicContact CG1-CG 4.43Å; I84-P245 HydrophobicContact CG2-CB 4.46Å; V132-P245 HydrophobicContact CG1-CB 4.21Å; V134-P245 HydrophobicContact CG2-CB 4.25Å; V134-P245 HydrophobicContact CG2-CG 4.06Å; G241-P245 WeakPolarHBondContact O-CD 3.39Å; A242-P245 WeakPolarHBondContact O-CD 3.5Å; P245-L248 PolarHBondContact O-N 2.69Å; P245-A249 WeakPolarHBondContact O-CB 3.27Å; P245-A249 PolarHBondContact O-N 3.13Å |
| 246 | L | 98.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71 | -37.4 | 179.7 | -72.1 | 157.4 | 0 | 0 | 0 | 112.7 | I13 L17 R20 A242 E243 T244 A249 L250 | I13-L246 HydrophobicContact CG2-CD2 4.05Å; I13-L246 HydrophobicContact CG2-CG 4.32Å; L17-L246 HydrophobicContact CD2-CD2 3.75Å; L17-L246 HydrophobicContact CG-CD2 3.69Å; R20-L246 VanDerWaalsContact NH2-CG 3.3Å; A242-L246 HydrophobicContact CB-CD1 3.7Å; A242-L246 VanDerWaalsContact O-CB 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.16Å; A242-L246 WeakPolarHBondContact O-CD1 3.31Å; A242-L246 WeakPolarHBondContact O-CG 3.42Å; A242-L246 PolarHBondContact O-N 2.76Å; E243-L246 PolarHBondContact O-N 3.3Å; T244-L246 VanDerWaalsContact C-N 3.28Å; T244-L246 PolarHBondContact O-N 3.25Å; L246-A249 PolarHBondContact O-N 2.86Å; L246-L250 HydrophobicContact CD2-CD1 4.3Å; L246-L250 VanDerWaalsContact O-CB 3.3Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 WeakPolarHBondContact O-CG 3.39Å; L246-L250 PolarHBondContact O-N 3.27Å |
| 247 | F | 98.8 | Very high | 97.6 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 171.8 | 170 | -98.5 | 0 | 0 | 0 | 110.9 | E243 T244 A249 L250 E251 L256 Y262 K265 | E243-F247 VanDerWaalsContact O-CB 3.3Å; E243-F247 WeakPolarHBondContact O-CB 3.34Å; E243-F247 PolarHBondContact O-N 2.95Å; T244-F247 PolarHBondContact O-N 3.16Å; F247-A249 PolarHBondContact O-N 3.23Å; F247-L250 PolarHBondContact O-N 2.78Å; F247-E251 HydrophobicContact CD2-CB 3.96Å; F247-E251 HydrophobicContact CD2-CG 4.1Å; F247-E251 WeakPolarHBondContact CD2-OE2 3.49Å; F247-E251 HydrophobicContact CE2-CB 3.92Å; F247-E251 HydrophobicContact CE2-CG 3.56Å; F247-E251 WeakPolarHBondContact CE2-OE2 3.45Å; F247-E251 HydrophobicContact CG-CB 4.45Å; F247-E251 HydrophobicContact CZ-CB 4.35Å; F247-E251 HydrophobicContact CZ-CG 3.96Å; F247-E251 WeakPolarHBondContact O-CB 3.41Å; F247-E251 PolarHBondContact O-N 3.01Å; F247-L256 HydrophobicContact CD1-CD2 4.22Å; F247-L256 HydrophobicContact CE1-CD2 3.5Å; F247-L256 VanDerWaalsContact CE1-CD2 3.5Å; F247-L256 HydrophobicContact CZ-CD2 3.86Å; F247-Y262 HydrophobicContact CE1-CD1 4.23Å; F247-Y262 HydrophobicContact CE1-CE1 4.07Å; F247-K265 HydrophobicContact CB-CB 4.32Å; F247-K265 HydrophobicContact CB-CD 3.93Å; F247-K265 HydrophobicContact CB-CG 3.66Å; F247-K265 HydrophobicContact CD1-CB 3.85Å; F247-K265 HydrophobicContact CD1-CG 4.12Å; F247-K265 HydrophobicContact CD2-CB 4.1Å; F247-K265 HydrophobicContact CD2-CD 4.12Å; F247-K265 HydrophobicContact CD2-CG 4.16Å; F247-K265 HydrophobicContact CE1-CB 4.15Å; F247-K265 HydrophobicContact CE2-CB 4.35Å; F247-K265 HydrophobicContact CG-CB 3.83Å; F247-K265 HydrophobicContact CG-CD 4.1Å; F247-K265 HydrophobicContact CG-CG 3.72Å; F247-K265 HydrophobicContact CZ-CB 4.39Å |
| 248 | L | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -29.6 | 178.3 | -68.5 | 177.9 | 0 | 0 | 0 | 113.8 | V132 N218 C220 T244 P245 L256 Y262 | V132-L248 HydrophobicContact CG1-CB 4.28Å; V132-L248 HydrophobicContact CG1-CD1 3.96Å; V132-L248 HydrophobicContact CG2-CB 3.62Å; N218-L248 HydrophobicContact CB-CD1 3.89Å; N218-L248 HydrophobicContact CB-CD2 4.16Å; C220-L248 HydrophobicContact CB-CD1 3.64Å; T244-L248 PolarHBondContact O-N 2.93Å; P245-L248 PolarHBondContact O-N 2.69Å; L248-L256 HydrophobicContact CD2-CD1 4.46Å; L248-L256 HydrophobicContact CD2-CD2 3.93Å; L248-Y262 HydrophobicContact CD1-CD2 4.42Å; L248-Y262 HydrophobicContact CD1-CG 4.35Å; L248-Y262 HydrophobicContact CD2-CD1 3.92Å; L248-Y262 HydrophobicContact CD2-CD2 3.69Å; L248-Y262 HydrophobicContact CD2-CE1 4.16Å; L248-Y262 HydrophobicContact CD2-CE2 3.92Å; L248-Y262 HydrophobicContact CD2-CG 3.7Å; L248-Y262 HydrophobicContact CG-CG 4.42Å |
| 249 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.2 | -29.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I82 I84 V132 P245 L246 F247 | I82-A249 HydrophobicContact CD1-CB 4.35Å; I82-A249 WeakPolarHBondContact CD1-O 3.48Å; I82-A249 HydrophobicContact CG2-CB 3.8Å; I84-A249 HydrophobicContact CD1-CB 3.78Å; I84-A249 HydrophobicContact CG1-CB 4.34Å; V132-A249 HydrophobicContact CG2-CB 4.23Å; P245-A249 WeakPolarHBondContact O-CB 3.27Å; P245-A249 PolarHBondContact O-N 3.13Å; L246-A249 PolarHBondContact O-N 2.86Å; F247-A249 PolarHBondContact O-N 3.23Å |
| 250 | L | 98.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -122.1 | -16.1 | -166.7 | -60 | 174.7 | 0 | 0 | 0 | 114.8 | L17 R20 F21 I82 L246 F247 | L17-L250 HydrophobicContact CD2-CD1 4.25Å; L17-L250 HydrophobicContact CD2-CD2 3.98Å; L17-L250 HydrophobicContact CD2-CG 4.25Å; R20-L250 HydrophobicContact CB-CD1 3.8Å; F21-L250 HydrophobicContact CB-CD2 4.03Å; F21-L250 HydrophobicContact CD2-CD2 3.84Å; F21-L250 HydrophobicContact CG-CD2 4.33Å; I82-L250 HydrophobicContact CD1-CD2 3.74Å; L246-L250 HydrophobicContact CD2-CD1 4.3Å; L246-L250 VanDerWaalsContact O-CB 3.3Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 WeakPolarHBondContact O-CG 3.39Å; L246-L250 PolarHBondContact O-N 3.27Å; F247-L250 PolarHBondContact O-N 2.78Å |
| 251 | E | 97.5 | Very high | 97.5 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 23% | 0.229 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.2 | 153.4 | 179.1 | -171.1 | 66.6 | -109.5 | 0 | 0 | 111.5 | F247 R255 L256 | F247-E251 HydrophobicContact CD2-CB 3.96Å; F247-E251 HydrophobicContact CD2-CG 4.1Å; F247-E251 WeakPolarHBondContact CD2-OE2 3.49Å; F247-E251 HydrophobicContact CE2-CB 3.92Å; F247-E251 HydrophobicContact CE2-CG 3.56Å; F247-E251 WeakPolarHBondContact CE2-OE2 3.45Å; F247-E251 HydrophobicContact CG-CB 4.45Å; F247-E251 HydrophobicContact CZ-CB 4.35Å; F247-E251 HydrophobicContact CZ-CG 3.96Å; F247-E251 WeakPolarHBondContact O-CB 3.41Å; F247-E251 PolarHBondContact O-N 3.01Å; E251-R255 HydrophobicContact CG-CB 3.98Å; E251-R255 VanDerWaalsContact OE1-CD 3.23Å; E251-R255 WeakPolarHBondContact OE1-CD 3.45Å; E251-R255 IonicContact OE1-CZ 3.35Å; E251-R255 IonicContact OE1-NE 2.63Å; E251-R255 IonicContact OE1-NH1 3.73Å; E251-R255 PolarHBondContact OE1-NH1 2.98Å; E251-L256 HydrophobicContact CB-CD1 4.42Å; E251-L256 HydrophobicContact CB-CD2 4.27Å; E251-L256 HydrophobicContact CB-CG 4.43Å; E251-L256 HydrophobicContact CG-CD2 4.37Å |
| 252 | E | 95.2 | Very high | 97.5 | Very high | 122 Ų | 122 | 44.7 Ų | 44.7 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | trans | -57.3 | 140.3 | 176.5 | -62.5 | -58.7 | 150.1 | 0 | 0 | 112 | D254 R255 | E252-D254 VanDerWaalsContact C-N 3.27Å; E252-D254 WeakPolarHBondContact CB-OD1 3.39Å; E252-D254 PolarHBondContact O-N 3.18Å; E252-R255 PolarHBondContact O-N 3.46Å; E252-R255 VanDerWaalsContact O-N 3.15Å | ||
| 253 | A | 93.8 | Very high | 97.5 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -58.7 | -38.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R130 I216 R255 L256 | R130-A253 VanDerWaalsContact NH2-CA 3.34Å; I216-A253 HydrophobicContact CD1-CB 4.07Å; A253-R255 PolarHBondContact O-N 2.95Å; A253-L256 PolarHBondContact O-N 3.07Å |
| 254 | D | 93.2 | Very high | 97.4 | Very high | 138 Ų | 138 | 47.8 Ų | 47.8 | 74% | 0.738 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -68.8 | -20.9 | -176.4 | 63.8 | -29.9 | 0 | 0 | 0 | 112.8 | E252 | E252-D254 VanDerWaalsContact C-N 3.27Å; E252-D254 WeakPolarHBondContact CB-OD1 3.39Å; E252-D254 PolarHBondContact O-N 3.18Å |
| 255 | R | 94.4 | Very high | 97.3 | Very high | 163 Ų | 163 | 51.8 Ų | 51.8 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -88.1 | -5 | 176.2 | -64.8 | 175.7 | 176.2 | -174.2 | -3.3 | 113.4 | E251 E252 A253 | E251-R255 HydrophobicContact CG-CB 3.98Å; E251-R255 VanDerWaalsContact OE1-CD 3.23Å; E251-R255 WeakPolarHBondContact OE1-CD 3.45Å; E251-R255 IonicContact OE1-CZ 3.35Å; E251-R255 IonicContact OE1-NE 2.63Å; E251-R255 IonicContact OE1-NH1 3.73Å; E251-R255 PolarHBondContact OE1-NH1 2.98Å; E252-R255 PolarHBondContact O-N 3.46Å; E252-R255 VanDerWaalsContact O-N 3.15Å; A253-R255 PolarHBondContact O-N 2.95Å |
| 256 | L | 96.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | trans | -111 | 124.6 | -177.2 | -60 | -177.2 | 0 | 0 | 0 | 110.9 | I216 F247 L248 E251 A253 Y262 | I216-L256 HydrophobicContact CD1-CB 4.21Å; F247-L256 HydrophobicContact CD1-CD2 4.22Å; F247-L256 HydrophobicContact CE1-CD2 3.5Å; F247-L256 VanDerWaalsContact CE1-CD2 3.5Å; F247-L256 HydrophobicContact CZ-CD2 3.86Å; L248-L256 HydrophobicContact CD2-CD1 4.46Å; L248-L256 HydrophobicContact CD2-CD2 3.93Å; E251-L256 HydrophobicContact CB-CD1 4.42Å; E251-L256 HydrophobicContact CB-CD2 4.27Å; E251-L256 HydrophobicContact CB-CG 4.43Å; E251-L256 HydrophobicContact CG-CD2 4.37Å; A253-L256 PolarHBondContact O-N 3.07Å; L256-Y262 HydrophobicContact CD2-CE1 4.46Å | ||
| 257 | A | 96.6 | Very high | 97.2 | Very high | 29 Ų | 29 | 60 Ų | 60 | 24% | 0.24 | 28% | 0.276 | C | S | . | . | trans | -67.1 | 156.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | N218 K260 Y262 E267 | N218-A257 PolarHBondContact ND2-O 3.27Å; N218-A257 PolarHBondContact OD1-O 3.13Å; A257-K260 HydrophobicContact CB-CB 4.34Å; A257-K260 HydrophobicContact CB-CG 3.53Å; A257-Y262 WeakPolarHBondContact CB-OH 3.35Å; A257-Y262 PolarHBondContact N-OH 3.41Å; A257-E267 VanDerWaalsContact CB-OE2 3.28Å; A257-E267 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 258 | R | 97.2 | Very high | 97.2 | Very high | 99 Ų | 99 | 58.3 Ų | 58.3 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -114 | 139.4 | -170.1 | -55.5 | 172.1 | -178.2 | -100.5 | 6 | 110.5 | Q204 S213 I216 K260 | Q204-R258 HydrophobicContact CG-CB 4.03Å; S213-R258 PolarHBondContact O-NH1 3.4Å; I216-R258 HydrophobicContact CD1-CG 4.42Å; I216-R258 HydrophobicContact CG1-CG 4.18Å; I216-R258 VanDerWaalsContact CG1-NH1 3.29Å; I216-R258 HydrophobicContact CG2-CG 4.33Å; R258-K260 VanDerWaalsContact C-N 3.28Å; R258-K260 WeakPolarHBondContact O-CG 3.38Å; R258-K260 PolarHBondContact O-N 3.29Å |
| 259 | G | 98.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 61.6 | 38.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M201 V217 N218 | M201-G259 WeakPolarHBondContact CG-O 3.47Å; V217-G259 VanDerWaalsContact O-CA 3.23Å; V217-G259 WeakPolarHBondContact O-CA 3.46Å; V217-G259 PolarHBondContact O-N 2.87Å; N218-G259 PolarHBondContact OD1-N 3.32Å |
| 260 | K | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | trans | -118.6 | 170.1 | -176.4 | -60.8 | -54.4 | -174.1 | 169.2 | 0 | 112.2 | N218 A219 A257 R258 Y262 E267 | N218-K260 PolarHBondContact OD1-N 2.87Å; N218-K260 PolarHBondContact OD1-O 3.23Å; A219-K260 PolarHBondContact N-O 3.25Å; A257-K260 HydrophobicContact CB-CB 4.34Å; A257-K260 HydrophobicContact CB-CG 3.53Å; R258-K260 VanDerWaalsContact C-N 3.28Å; R258-K260 WeakPolarHBondContact O-CG 3.38Å; R258-K260 PolarHBondContact O-N 3.29Å; K260-Y262 HydrophobicContact CB-CD2 4.3Å; K260-Y262 HydrophobicContact CB-CE2 3.91Å; K260-E267 HydrophobicContact CB-CG 4.23Å; K260-E267 WeakPolarHBondContact CD-OE1 3.49Å; K260-E267 HydrophobicContact CG-CG 4.38Å; K260-E267 IonicContact NZ-OE1 2.81Å | ||
| 261 | F | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134 | 172.9 | -176.2 | -92 | 0 | 0 | 0 | 110.1 | S136 L140 T197 A219 C221 T268 W270 | S136-F261 WeakPolarHBondContact O-CZ 3.4Å; L140-F261 HydrophobicContact CD2-CD1 3.78Å; L140-F261 HydrophobicContact CD2-CE1 3.58Å; L140-F261 HydrophobicContact CD2-CG 4.43Å; L140-F261 HydrophobicContact CD2-CZ 4.05Å; L140-F261 HydrophobicContact CG-CE1 4.29Å; L140-F261 HydrophobicContact CG-CZ 4.4Å; T197-F261 HydrophobicContact CG2-CB 4.28Å; T197-F261 HydrophobicContact CG2-CD2 3.71Å; T197-F261 HydrophobicContact CG2-CG 4.39Å; A219-F261 HydrophobicContact CB-CD2 3.87Å; A219-F261 CarbonylContact O-C 3.25Å; A219-F261 WeakPolarHBondContact O-CA 3.45Å; C221-F261 HydrophobicContact CB-CE1 4.33Å; C221-F261 HydrophobicContact CB-CZ 3.76Å; F261-T268 HydrophobicContact CD1-CG2 4.08Å; F261-T268 HydrophobicContact CE1-CG2 4.25Å; F261-T268 PolarHBondContact O-N 3.25Å; F261-T268 VanDerWaalsContact O-O 3.12Å; F261-W270 HydrophobicContact CB-CB 4.36Å |
| 262 | Y | 98.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.6 | -179.4 | -80.8 | -107.6 | 0 | 0 | 0 | 112.5 | N218 A219 C220 C221 F247 L248 L256 A257 K260 R266 E267 | N218-Y262 HydrophobicContact CB-CD2 4.44Å; A219-Y262 PolarHBondContact O-N 3.14Å; C220-Y262 CarbonylContact C-O 3.52Å; C220-Y262 WeakPolarHBondContact CA-O 3.47Å; C220-Y262 WeakPolarHBondContact CB-O 3.41Å; C221-Y262 PolarHBondContact N-O 2.86Å; F247-Y262 HydrophobicContact CE1-CD1 4.23Å; F247-Y262 HydrophobicContact CE1-CE1 4.07Å; L248-Y262 HydrophobicContact CD1-CD2 4.42Å; L248-Y262 HydrophobicContact CD1-CG 4.35Å; L248-Y262 HydrophobicContact CD2-CD1 3.92Å; L248-Y262 HydrophobicContact CD2-CD2 3.69Å; L248-Y262 HydrophobicContact CD2-CE1 4.16Å; L248-Y262 HydrophobicContact CD2-CE2 3.92Å; L248-Y262 HydrophobicContact CD2-CG 3.7Å; L248-Y262 HydrophobicContact CG-CG 4.42Å; L256-Y262 HydrophobicContact CD2-CE1 4.46Å; A257-Y262 WeakPolarHBondContact CB-OH 3.35Å; A257-Y262 PolarHBondContact N-OH 3.41Å; K260-Y262 HydrophobicContact CB-CD2 4.3Å; K260-Y262 HydrophobicContact CB-CE2 3.91Å; Y262-R266 WeakPolarHBondContact CA-O 3.16Å; Y262-E267 HydrophobicContact CE1-CB 4.2Å; Y262-E267 HydrophobicContact CE2-CB 4.49Å |
| 263 | Y | 98.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.6 | 169.2 | 177.6 | -131.9 | 0 | 0 | 0 | 110.1 | Q137 C221 K265 R266 | Q137-Y263 VanDerWaalsContact NE2-CE1 3.25Å; C221-Y263 HydrophobicContact CB-CD2 3.73Å; C221-Y263 HydrophobicContact CB-CE2 4.43Å; C221-Y263 HydrophobicContact CB-CG 4.24Å; C221-Y263 WeakPolarHBondContact O-CD2 3.27Å; Y263-K265 VanDerWaalsContact C-N 3.26Å; Y263-K265 PolarHBondContact O-N 3.18Å; Y263-R266 PolarHBondContact N-O 2.91Å; Y263-R266 PolarHBondContact O-N 3.47Å; Y263-R266 VanDerWaalsContact O-N 3.13Å |
| 264 | K | 97.2 | Very high | 97.3 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 44.1 | -174.8 | -61.6 | -177.2 | 170.9 | -175.1 | 0 | 112.2 | T244 R266 | T244-K264 WeakPolarHBondContact OG1-CA 3.4Å; T244-K264 PolarHBondContact OG1-N 2.99Å; K264-R266 PolarHBondContact O-N 2.97Å; K264-R266 VanDerWaalsContact O-N 3.15Å |
| 265 | K | 97.2 | Very high | 97.3 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.3 | -179.3 | -53.8 | 175.7 | -72.4 | -152.9 | 0 | 114.4 | E243 T244 F247 Y263 | E243-K265 WeakPolarHBondContact OE2-CE 3.4Å; E243-K265 IonicContact OE2-NZ 2.86Å; E243-K265 PolarHBondContact OE2-NZ 2.74Å; T244-K265 PolarHBondContact OG1-N 3.49Å; F247-K265 HydrophobicContact CB-CB 4.32Å; F247-K265 HydrophobicContact CB-CD 3.93Å; F247-K265 HydrophobicContact CB-CG 3.66Å; F247-K265 HydrophobicContact CD1-CB 3.85Å; F247-K265 HydrophobicContact CD1-CG 4.12Å; F247-K265 HydrophobicContact CD2-CB 4.1Å; F247-K265 HydrophobicContact CD2-CD 4.12Å; F247-K265 HydrophobicContact CD2-CG 4.16Å; F247-K265 HydrophobicContact CE1-CB 4.15Å; F247-K265 HydrophobicContact CE2-CB 4.35Å; F247-K265 HydrophobicContact CG-CB 3.83Å; F247-K265 HydrophobicContact CG-CD 4.1Å; F247-K265 HydrophobicContact CG-CG 3.72Å; F247-K265 HydrophobicContact CZ-CB 4.39Å; Y263-K265 VanDerWaalsContact C-N 3.26Å; Y263-K265 PolarHBondContact O-N 3.18Å |
| 266 | R | 97.4 | Very high | 97.1 | Very high | 128 Ų | 128 | 54.1 Ų | 54.1 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.6 | 176.5 | -64.7 | -165.4 | -71.2 | -94.6 | 7.4 | 110.7 | Y262 Y263 K264 T268 Q275 | Y262-R266 WeakPolarHBondContact CA-O 3.16Å; Y263-R266 PolarHBondContact N-O 2.91Å; Y263-R266 PolarHBondContact O-N 3.47Å; Y263-R266 VanDerWaalsContact O-N 3.13Å; K264-R266 PolarHBondContact O-N 2.97Å; K264-R266 VanDerWaalsContact O-N 3.15Å; R266-T268 PolarHBondContact O-N 3.39Å; R266-T268 PolarHBondContact O-OG1 3.21Å; R266-Q275 VanDerWaalsContact NE-NE2 3.12Å; R266-Q275 VanDerWaalsContact NH2-NE2 3.11Å |
| 267 | E | 97.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 23% | 0.229 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 133.2 | 171.3 | -176.1 | 179.5 | 166.6 | 0 | 0 | 108.2 | A257 K260 Y262 Q275 V276 | A257-E267 VanDerWaalsContact CB-OE2 3.28Å; A257-E267 WeakPolarHBondContact CB-OE2 3.34Å; K260-E267 HydrophobicContact CB-CG 4.23Å; K260-E267 WeakPolarHBondContact CD-OE1 3.49Å; K260-E267 HydrophobicContact CG-CG 4.38Å; K260-E267 IonicContact NZ-OE1 2.81Å; Y262-E267 HydrophobicContact CE1-CB 4.2Å; Y262-E267 HydrophobicContact CE2-CB 4.49Å; E267-Q275 WeakPolarHBondContact O-CA 3.38Å; E267-V276 HydrophobicContact CB-CB 4.13Å; E267-V276 HydrophobicContact CB-CG2 4.22Å; E267-V276 HydrophobicContact CG-CB 4.12Å; E267-V276 HydrophobicContact CG-CG2 3.7Å; E267-V276 PolarHBondContact O-N 3.38Å |
| 268 | T | 98.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 123.9 | -177.8 | -64.9 | 0 | 0 | 0 | 0 | 107.5 | L140 F261 R266 W270 G273 E274 | L140-T268 HydrophobicContact CD2-CG2 4.48Å; F261-T268 HydrophobicContact CD1-CG2 4.08Å; F261-T268 HydrophobicContact CE1-CG2 4.25Å; F261-T268 PolarHBondContact O-N 3.25Å; F261-T268 VanDerWaalsContact O-O 3.12Å; R266-T268 PolarHBondContact O-N 3.39Å; R266-T268 PolarHBondContact O-OG1 3.21Å; T268-W270 PolarHBondContact O-N 3.33Å; T268-W270 VanDerWaalsContact O-N 3.1Å; T268-G273 WeakPolarHBondContact CG2-O 3.4Å; T268-E274 CarbonylContact C-O 3.59Å; T268-E274 WeakPolarHBondContact CA-O 2.75Å |
| 269 | N | 98.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -55.6 | 118.5 | 177.5 | -177.1 | -64.4 | 0 | 0 | 0 | 109 | R271 T272 G273 E274 V276 | N269-R271 PolarHBondContact O-N 2.63Å; N269-R271 WeakPolarHBondContact OD1-CA 3.47Å; N269-R271 WeakPolarHBondContact OD1-CB 3.45Å; N269-R271 PolarHBondContact OD1-N 3.29Å; N269-T272 WeakPolarHBondContact CB-OG1 3.28Å; N269-T272 PolarHBondContact OD1-N 3.32Å; N269-T272 PolarHBondContact OD1-OG1 3.31Å; N269-G273 VanDerWaalsContact O-CA 3.24Å; N269-G273 WeakPolarHBondContact O-CA 3.29Å; N269-G273 PolarHBondContact O-N 2.81Å; N269-E274 WeakPolarHBondContact CB-O 3.31Å; N269-E274 PolarHBondContact N-O 3.48Å; N269-V276 HydrophobicContact CB-CG2 4.47Å | ||
| 270 | W | 98.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 66.3 Ų | 66.3 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29 | -174.1 | -179.7 | 43.2 | 0 | 0 | 0 | 112.9 | G139 L140 L141 L153 E154 V194 T197 A198 M201 F261 T268 | G139-W270 PolarHBondContact O-NE1 3.06Å; L140-W270 WeakPolarHBondContact CA-O 3.1Å; L140-W270 WeakPolarHBondContact CD2-O 3.18Å; L141-W270 HydrophobicContact CD1-CD2 4.03Å; L141-W270 HydrophobicContact CD1-CE3 3.72Å; L141-W270 HydrophobicContact CD1-CH2 4.21Å; L141-W270 HydrophobicContact CD1-CZ2 4.45Å; L141-W270 HydrophobicContact CD1-CZ3 3.85Å; L141-W270 HydrophobicContact CD2-CD2 4.37Å; L141-W270 HydrophobicContact CD2-CH2 3.77Å; L141-W270 HydrophobicContact CD2-CZ2 3.53Å; L141-W270 HydrophobicContact CD2-CZ3 4.27Å; L141-W270 HydrophobicContact CG-CD2 3.82Å; L141-W270 HydrophobicContact CG-CE3 4.02Å; L141-W270 HydrophobicContact CG-CG 4.43Å; L141-W270 HydrophobicContact CG-CH2 4.17Å; L141-W270 HydrophobicContact CG-CZ2 3.94Å; L141-W270 HydrophobicContact CG-CZ3 4.21Å; L141-W270 PolarHBondContact N-O 3.46Å; L153-W270 HydrophobicContact CB-CH2 4.03Å; L153-W270 WeakPolarHBondContact O-CZ3 3.46Å; E154-W270 HydrophobicContact CB-CE3 4.13Å; E154-W270 HydrophobicContact CB-CZ3 3.92Å; V194-W270 HydrophobicContact CG1-CZ2 4.11Å; T197-W270 VanDerWaalsContact CG2-CD1 3.45Å; T197-W270 HydrophobicContact CG2-CD2 4.05Å; T197-W270 HydrophobicContact CG2-CG 3.97Å; T197-W270 HydrophobicContact CG2-CZ2 4.17Å; A198-W270 HydrophobicContact CB-CH2 3.62Å; A198-W270 HydrophobicContact CB-CZ2 4.1Å; M201-W270 HydrophobicContact CE-CB 3.74Å; M201-W270 HydrophobicContact CE-CD2 3.51Å; M201-W270 HydrophobicContact CE-CE3 3.34Å; M201-W270 HydrophobicContact CE-CG 3.69Å; M201-W270 HydrophobicContact CE-CZ3 4.05Å; M201-W270 HydrophobicContact SD-CD2 4.21Å; M201-W270 HydrophobicContact SD-CE3 3.48Å; M201-W270 HydrophobicContact SD-CH2 4.46Å; M201-W270 HydrophobicContact SD-CZ3 3.61Å; F261-W270 HydrophobicContact CB-CB 4.36Å; T268-W270 PolarHBondContact O-N 3.33Å; T268-W270 VanDerWaalsContact O-N 3.1Å |
| 271 | R | 98 | Very high | 95.5 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -54.1 | 179.1 | 172.1 | 173.5 | -84.7 | -85.2 | 9.8 | 112.4 | L141 R142 E147 K150 N151 E154 N269 | L141-R271 HydrophobicContact CD1-CB 4.5Å; R142-R271 PolarHBondContact N-O 2.78Å; E147-R271 IonicContact OE1-CZ 2.71Å; E147-R271 IonicContact OE1-NH1 3.48Å; E147-R271 PolarHBondContact OE1-NH1 2.83Å; E147-R271 IonicContact OE1-NH2 2.69Å; E147-R271 PolarHBondContact OE1-NH2 2.96Å; E147-R271 IonicContact OE2-NH1 2.73Å; K150-R271 VanDerWaalsContact CB-NH2 3.3Å; N151-R271 PolarHBondContact OD1-NH2 3.08Å; E154-R271 VanDerWaalsContact CD-NH2 3.31Å; E154-R271 IonicContact OE1-CZ 3.92Å; E154-R271 IonicContact OE1-NE 2.72Å; E154-R271 PolarHBondContact OE1-NE 2.63Å; E154-R271 IonicContact OE1-NH2 2.77Å; E154-R271 PolarHBondContact OE1-NH2 3.4Å; E154-R271 IonicContact OE2-CZ 3.75Å; E154-R271 IonicContact OE2-NE 3.6Å; E154-R271 PolarHBondContact OE2-NE 2.8Å; E154-R271 IonicContact OE2-NH2 3.28Å; N269-R271 PolarHBondContact O-N 2.63Å; N269-R271 WeakPolarHBondContact OD1-CA 3.47Å; N269-R271 WeakPolarHBondContact OD1-CB 3.45Å; N269-R271 PolarHBondContact OD1-N 3.29Å |
| 272 | T | 97 | Very high | 95.3 | Very high | 53 Ų | 53 | 69.3 Ų | 69.3 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -25.8 | -172.4 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | R142 N269 E274 | R142-T272 WeakPolarHBondContact CD-O 3.46Å; R142-T272 PolarHBondContact NH1-O 3.07Å; N269-T272 WeakPolarHBondContact CB-OG1 3.28Å; N269-T272 PolarHBondContact OD1-N 3.32Å; N269-T272 PolarHBondContact OD1-OG1 3.31Å; T272-E274 WeakPolarHBondContact OG1-CB 3.49Å; T272-E274 WeakPolarHBondContact OG1-CG 3.49Å; T272-E274 PolarHBondContact OG1-N 3.38Å; T272-E274 PolarHBondContact OG1-OE2 3.25Å |
| 273 | G | 96.5 | Very high | 95.1 | Very high | 14 Ų | 14 | 73.2 Ų | 73.2 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | trans | 76 | 9.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T268 N269 | T268-G273 WeakPolarHBondContact CG2-O 3.4Å; N269-G273 VanDerWaalsContact O-CA 3.24Å; N269-G273 WeakPolarHBondContact O-CA 3.29Å; N269-G273 PolarHBondContact O-N 2.81Å | ||
| 274 | E | 96.8 | Very high | 94.8 | Very high | 133 Ų | 133 | 75.7 Ų | 75.7 | 62% | 0.621 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 149 | 174.4 | -65.1 | 165.6 | 155.2 | 0 | 0 | 110.3 | T268 N269 T272 | T268-E274 CarbonylContact C-O 3.59Å; T268-E274 WeakPolarHBondContact CA-O 2.75Å; N269-E274 WeakPolarHBondContact CB-O 3.31Å; N269-E274 PolarHBondContact N-O 3.48Å; T272-E274 WeakPolarHBondContact OG1-CB 3.49Å; T272-E274 WeakPolarHBondContact OG1-CG 3.49Å; T272-E274 PolarHBondContact OG1-N 3.38Å; T272-E274 PolarHBondContact OG1-OE2 3.25Å |
| 275 | Q | 93.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 135.4 | 177.1 | -66.6 | -177.8 | -29.5 | 0 | 0 | 109.6 | R266 E267 | R266-Q275 VanDerWaalsContact NE-NE2 3.12Å; R266-Q275 VanDerWaalsContact NH2-NE2 3.11Å; E267-Q275 WeakPolarHBondContact O-CA 3.38Å |
| 276 | V | 89.2 | Confident | 94.4 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 39% | 0.394 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -73 | 130.7 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | E267 N269 | E267-V276 HydrophobicContact CB-CB 4.13Å; E267-V276 HydrophobicContact CB-CG2 4.22Å; E267-V276 HydrophobicContact CG-CB 4.12Å; E267-V276 HydrophobicContact CG-CG2 3.7Å; E267-V276 PolarHBondContact O-N 3.38Å; N269-V276 HydrophobicContact CB-CG2 4.47Å |
| 277 | V | 72.4 | Confident | 94.2 | Very high | 206 Ų | 206 | 66.2 Ų | 66.2 | 100% | 1.248 | 36% | 0.357 | S | S | * | . | trans | -79.1 | 0 | -179.2 | -178.4 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 277 of 277 residues in 121.9 ms
(Link to these results)