| 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 | 95.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 15.6 Ų | 15.6 | 41% | 0.414 | 9% | 0.086 | S | C | . | . | 0 | 150.1 | 0 | -71.3 | -175.3 | 174.6 | 0 | 0 | 109.6 | I3 S24 W25 T26 H149 | M1-I3 HydrophobicContact CB-CD1 4.03Å; M1-S24 PolarHBondContact N-O 3.45Å; M1-W25 HydrophobicContact CB-CD2 4.36Å; M1-W25 HydrophobicContact CB-CG 4.09Å; M1-W25 CarbonylContact O-C 3.28Å; M1-W25 WeakPolarHBondContact O-CA 3.49Å; M1-W25 HydrophobicContact SD-CZ2 4.14Å; M1-T26 PolarHBondContact O-N 2.69Å; M1-H149 HydrophobicContact CB-CB 4.01Å; M1-H149 HydrophobicContact CG-CB 4.16Å | |||
| 2 | R | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 14.3 Ų | 14.3 | 17% | 0.17 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.1 | 175.2 | -170.4 | 168.5 | -178.3 | -87.1 | -10.9 | 108.9 | T26 E146 L147 F148 H149 | R2-T26 CarbonylContact C-O 3.54Å; R2-T26 WeakPolarHBondContact CA-O 3.34Å; R2-T26 WeakPolarHBondContact CG-OG1 3.37Å; R2-E146 IonicContact CZ-OE2 3.33Å; R2-E146 VanDerWaalsContact CZ-OE2 3.31Å; R2-E146 IonicContact NH1-OE2 2.65Å; R2-E146 IonicContact NH2-OE1 2.68Å; R2-E146 IonicContact NH2-OE2 2.99Å; R2-E146 PolarHBondContact NH2-OE2 2.87Å; R2-L147 PolarHBondContact NH1-O 3.33Å; R2-F148 HydrophobicContact CB-CD1 4.41Å; R2-F148 HydrophobicContact CG-CD1 3.67Å; R2-F148 HydrophobicContact CG-CE1 4.02Å; R2-F148 VanDerWaalsContact CZ-CE1 3.41Å; R2-H149 PolarHBondContact N-ND1 2.65Å; R2-H149 PolarHBondContact O-N 3.42Å |
| 3 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.3 | -169.8 | -47.1 | -63.8 | 0 | 0 | 0 | 109.8 | M1 L19 W25 T26 V27 V28 F148 F152 L327 | M1-I3 HydrophobicContact CB-CD1 4.03Å; I3-L19 HydrophobicContact CB-CD1 4.5Å; I3-L19 HydrophobicContact CG1-CD2 4.38Å; I3-L19 HydrophobicContact CG2-CD1 3.78Å; I3-L19 HydrophobicContact CG2-CD2 4.24Å; I3-W25 HydrophobicContact CD1-CE3 4.3Å; I3-W25 HydrophobicContact CG1-CE3 4.08Å; I3-T26 PolarHBondContact N-O 2.85Å; I3-V27 WeakPolarHBondContact O-CA 3.25Å; I3-V28 PolarHBondContact O-N 3.23Å; I3-F148 VanDerWaalsContact C-CD1 3.4Å; I3-F152 HydrophobicContact CG2-CD2 3.6Å; I3-F152 HydrophobicContact CG2-CE2 3.73Å; I3-L327 HydrophobicContact CD1-CD1 4.15Å |
| 4 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | V28 V133 F148 S150 V151 F152 | C4-V28 CarbonylContact C-O 3.57Å; C4-V28 WeakPolarHBondContact CA-O 3.42Å; C4-V133 HydrophobicContact CB-CG2 4.17Å; C4-F148 HydrophobicContact CB-CB 4.25Å; C4-F148 HydrophobicContact CB-CD1 3.51Å; C4-F148 HydrophobicContact CB-CD2 3.89Å; C4-F148 HydrophobicContact CB-CE1 3.65Å; C4-F148 HydrophobicContact CB-CE2 4.01Å; C4-F148 HydrophobicContact CB-CG 3.63Å; C4-F148 HydrophobicContact CB-CZ 3.88Å; C4-F148 VanDerWaalsContact N-CD1 3.26Å; C4-S150 PolarHBondContact N-O 2.81Å; C4-V151 HydrophobicContact CB-CG1 4.41Å; C4-V151 HydrophobicContact CB-CG2 4.14Å; C4-V151 CarbonylContact O-C 3.57Å; C4-V151 WeakPolarHBondContact O-CA 3.48Å; C4-F152 PolarHBondContact O-N 3.04Å |
| 5 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.7 | 167.2 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | A15 L19 V27 V28 I29 Y30 F152 C154 | V5-A15 HydrophobicContact CG1-CB 4.2Å; V5-A15 HydrophobicContact CG2-CB 4.3Å; V5-L19 HydrophobicContact CG2-CD1 3.82Å; V5-V27 HydrophobicContact CG2-CG1 4.05Å; V5-V28 PolarHBondContact N-O 3.18Å; V5-I29 HydrophobicContact CB-CB 4.26Å; V5-I29 HydrophobicContact CB-CG1 3.97Å; V5-I29 HydrophobicContact CB-CG2 4.02Å; V5-I29 HydrophobicContact CG1-CG2 4.12Å; V5-I29 HydrophobicContact CG2-CG1 4.38Å; V5-I29 CarbonylContact O-C 3.44Å; V5-I29 VanDerWaalsContact O-CA 3.28Å; V5-I29 WeakPolarHBondContact O-CA 3.48Å; V5-Y30 PolarHBondContact O-N 3Å; V5-F152 CarbonylContact C-O 3.58Å; V5-F152 WeakPolarHBondContact CA-O 3.42Å; V5-F152 HydrophobicContact CB-CB 4.49Å; V5-F152 HydrophobicContact CG1-CB 4.32Å; V5-F152 HydrophobicContact CG2-CB 4.2Å; V5-C154 HydrophobicContact CG1-CB 4.22Å |
| 6 | I | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 4% | 0.041 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 113 | -179.9 | -54.1 | 177.1 | 0 | 0 | 0 | 108.2 | V114 L117 V151 F152 V153 C154 N155 F272 | I6-V114 HydrophobicContact CD1-CB 4.3Å; I6-V114 HydrophobicContact CD1-CG1 3.93Å; I6-V114 HydrophobicContact CD1-CG2 4.31Å; I6-V114 HydrophobicContact CG1-CB 4.48Å; I6-V114 HydrophobicContact CG1-CG2 4.01Å; I6-V114 HydrophobicContact CG2-CB 4.13Å; I6-V114 HydrophobicContact CG2-CG2 4.04Å; I6-L117 HydrophobicContact CD1-CD1 4.2Å; I6-L117 HydrophobicContact CD1-CD2 4.22Å; I6-V151 HydrophobicContact CD1-CG1 3.78Å; I6-V151 HydrophobicContact CG1-CG1 4.14Å; I6-F152 PolarHBondContact N-O 3.41Å; I6-V153 HydrophobicContact CD1-CG2 4.36Å; I6-C154 CarbonylContact O-C 3.43Å; I6-C154 WeakPolarHBondContact O-CA 3.4Å; I6-C154 VanDerWaalsContact O-CB 3.3Å; I6-C154 WeakPolarHBondContact O-CB 3.46Å; I6-C154 PolarHBondContact O-N 3.33Å; I6-N155 HydrophobicContact CG2-CB 4.1Å; I6-N155 PolarHBondContact O-N 3.31Å; I6-F272 HydrophobicContact CD1-CD2 4.14Å; I6-F272 HydrophobicContact CD1-CE2 3.83Å; I6-F272 HydrophobicContact CD1-CZ 4.19Å; I6-F272 HydrophobicContact CG2-CE1 4.22Å; I6-F272 HydrophobicContact CG2-CZ 4.25Å |
| 7 | G | 98.3 | Very high | 98.4 | Very high | 7 Ų | 7 | 12.4 Ų | 12.4 | 7% | 0.072 | 7% | 0.065 | C | C | . | . | trans | 94.3 | 138 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G12 I29 Y30 | G7-G12 VanDerWaalsContact O-CA 3.29Å; G7-G12 WeakPolarHBondContact O-CA 3.33Å; G7-I29 WeakPolarHBondContact O-CG2 3.38Å; G7-Y30 WeakPolarHBondContact CA-O 3.24Å; G7-Y30 PolarHBondContact N-O 2.92Å | ||
| 8 | A | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -114.6 | 33.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I13 I29 E31 V36 G37 I108 | A8-I13 HydrophobicContact CB-CG2 4.3Å; A8-I29 HydrophobicContact CB-CG2 4.12Å; A8-E31 WeakPolarHBondContact CA-OE2 3.41Å; A8-E31 HydrophobicContact CB-CB 3.7Å; A8-E31 HydrophobicContact CB-CG 3.93Å; A8-E31 PolarHBondContact N-OE2 3.21Å; A8-V36 HydrophobicContact CB-CG1 4.21Å; A8-V36 WeakPolarHBondContact O-CA 3.37Å; A8-G37 PolarHBondContact O-N 3.2Å; A8-I108 HydrophobicContact CB-CD1 4.09Å; A8-I108 HydrophobicContact CB-CG2 3.99Å | ||
| 9 | G | 97.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 12.6 Ų | 12.6 | 11% | 0.113 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -71.8 | -171.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A11 G12 I13 | G9-A11 VanDerWaalsContact C-N 3.35Å; G9-A11 PolarHBondContact O-N 3.32Å; G9-G12 PolarHBondContact O-N 3.47Å; G9-I13 PolarHBondContact O-N 3.36Å |
| 10 | A | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 7% | 0.074 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -51.3 | -47.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | G12 I13 C14 F72 L95 F313 F316 | A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 3.39Å; A10-I13 WeakPolarHBondContact O-CG1 3.44Å; A10-C14 WeakPolarHBondContact O-CB 3.1Å; A10-C14 PolarHBondContact O-N 3.09Å; A10-F72 HydrophobicContact CB-CZ 4.25Å; A10-F72 WeakPolarHBondContact O-CZ 3.1Å; A10-L95 HydrophobicContact CB-CD1 4.18Å; A10-L95 HydrophobicContact CB-CD2 3.83Å; A10-F313 HydrophobicContact CB-CD1 3.88Å; A10-F313 HydrophobicContact CB-CE1 3.45Å; A10-F313 VanDerWaalsContact CB-CE1 3.45Å; A10-F313 HydrophobicContact CB-CZ 4.07Å; A10-F316 HydrophobicContact CB-CD2 4.22Å; A10-F316 HydrophobicContact CB-CE2 4.02Å |
| 11 | A | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 18 Ų | 18 | 7% | 0.066 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G9 A15 C154 I304 F316 | G9-A11 VanDerWaalsContact C-N 3.35Å; G9-A11 PolarHBondContact O-N 3.32Å; A11-A15 WeakPolarHBondContact O-CB 3.35Å; A11-A15 PolarHBondContact O-N 3.05Å; A11-C154 HydrophobicContact CB-CB 3.98Å; A11-I304 HydrophobicContact CB-CB 4.25Å; A11-I304 HydrophobicContact CB-CG2 3.88Å; A11-F316 HydrophobicContact CB-CB 4.5Å; A11-F316 HydrophobicContact CB-CD2 3.89Å; A11-F316 HydrophobicContact CB-CE2 4.26Å; A11-F316 HydrophobicContact CB-CG 4.07Å |
| 12 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.1 | -44.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G7 G9 A10 C14 A15 C16 | G7-G12 VanDerWaalsContact O-CA 3.29Å; G7-G12 WeakPolarHBondContact O-CA 3.33Å; G9-G12 PolarHBondContact O-N 3.47Å; A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 3.39Å; G12-C14 VanDerWaalsContact C-N 3.33Å; G12-A15 WeakPolarHBondContact O-CB 3.31Å; G12-A15 PolarHBondContact O-N 3.03Å; G12-C16 PolarHBondContact O-N 3.5Å |
| 13 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70 | -33 | 176.7 | 67.9 | 178.6 | 0 | 0 | 0 | 111.4 | A8 G9 A10 C16 R17 V36 F72 L95 Y98 L104 I108 | A8-I13 HydrophobicContact CB-CG2 4.3Å; G9-I13 PolarHBondContact O-N 3.36Å; A10-I13 WeakPolarHBondContact O-CG1 3.44Å; I13-C16 WeakPolarHBondContact O-CB 3.35Å; I13-C16 PolarHBondContact O-N 3.16Å; I13-R17 WeakPolarHBondContact O-CB 3.35Å; I13-R17 PolarHBondContact O-N 3.07Å; I13-V36 HydrophobicContact CG2-CB 4.25Å; I13-V36 HydrophobicContact CG2-CG1 4.11Å; I13-F72 HydrophobicContact CD1-CE2 4.48Å; I13-F72 HydrophobicContact CG1-CE2 4.47Å; I13-L95 HydrophobicContact CD1-CB 3.99Å; I13-L95 HydrophobicContact CD1-CD2 3.77Å; I13-L95 HydrophobicContact CD1-CG 4.46Å; I13-L95 WeakPolarHBondContact CD1-O 3.41Å; I13-Y98 HydrophobicContact CD1-CD1 3.82Å; I13-Y98 HydrophobicContact CG1-CD1 4.04Å; I13-Y98 HydrophobicContact CG1-CE1 4.3Å; I13-L104 HydrophobicContact CB-CD1 3.93Å; I13-L104 WeakPolarHBondContact O-CD1 3.48Å; I13-I108 HydrophobicContact CG2-CD1 4.5Å |
| 14 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | A10 G12 C16 R17 H18 F72 D317 | A10-C14 WeakPolarHBondContact O-CB 3.1Å; A10-C14 PolarHBondContact O-N 3.09Å; G12-C14 VanDerWaalsContact C-N 3.33Å; C14-C16 VanDerWaalsContact C-N 3.33Å; C14-C16 PolarHBondContact O-N 3.21Å; C14-R17 WeakPolarHBondContact O-CB 3.44Å; C14-R17 PolarHBondContact O-N 3.05Å; C14-H18 PolarHBondContact O-CD2 2.83Å; C14-H18 PolarHBondContact O-N 2.8Å; C14-F72 HydrophobicContact CB-CD1 4.25Å; C14-F72 HydrophobicContact CB-CE1 3.47Å; C14-F72 VanDerWaalsContact CB-CE1 3.47Å; C14-F72 HydrophobicContact CB-CZ 3.8Å; C14-D317 VanDerWaalsContact SG-CA 3.58Å |
| 15 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V5 A11 G12 R17 H18 L19 F152 V320 | V5-A15 HydrophobicContact CG1-CB 4.2Å; V5-A15 HydrophobicContact CG2-CB 4.3Å; A11-A15 WeakPolarHBondContact O-CB 3.35Å; A11-A15 PolarHBondContact O-N 3.05Å; G12-A15 WeakPolarHBondContact O-CB 3.31Å; G12-A15 PolarHBondContact O-N 3.03Å; A15-R17 VanDerWaalsContact C-N 3.34Å; A15-R17 PolarHBondContact O-N 3.29Å; A15-H18 PolarHBondContact O-N 3Å; A15-L19 HydrophobicContact CB-CD1 4.24Å; A15-L19 VanDerWaalsContact O-CB 3.32Å; A15-L19 WeakPolarHBondContact O-CB 3.48Å; A15-L19 WeakPolarHBondContact O-CD1 3.21Å; A15-L19 WeakPolarHBondContact O-CG 3.39Å; A15-L19 PolarHBondContact O-N 3.48Å; A15-F152 HydrophobicContact CB-CD1 4.23Å; A15-V320 HydrophobicContact CB-CG1 4.46Å; A15-V320 HydrophobicContact CB-CG2 3.9Å |
| 16 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 113 | G12 I13 C14 H18 L19 K20 I29 L104 | G12-C16 PolarHBondContact O-N 3.5Å; I13-C16 WeakPolarHBondContact O-CB 3.35Å; I13-C16 PolarHBondContact O-N 3.16Å; C14-C16 VanDerWaalsContact C-N 3.33Å; C14-C16 PolarHBondContact O-N 3.21Å; C16-H18 VanDerWaalsContact C-N 3.27Å; C16-H18 PolarHBondContact O-N 2.93Å; C16-L19 PolarHBondContact O-N 3.07Å; C16-K20 WeakPolarHBondContact O-CB 3.33Å; C16-K20 VanDerWaalsContact O-CG 3.25Å; C16-K20 WeakPolarHBondContact O-CG 3.37Å; C16-K20 PolarHBondContact O-N 3.05Å; C16-I29 HydrophobicContact CB-CD1 3.39Å; C16-I29 HydrophobicContact CB-CG1 4.37Å; C16-L104 HydrophobicContact CB-CD1 4.44Å; C16-L104 HydrophobicContact CB-CD2 4.4Å |
| 17 | R | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 31.5 Ų | 31.5 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.5 | -46.5 | -179.3 | 167.9 | 69.2 | 177.5 | 83.4 | 5.9 | 112 | I13 C14 A15 K20 L21 D74 Y98 H102 L104 | I13-R17 WeakPolarHBondContact O-CB 3.35Å; I13-R17 PolarHBondContact O-N 3.07Å; C14-R17 WeakPolarHBondContact O-CB 3.44Å; C14-R17 PolarHBondContact O-N 3.05Å; A15-R17 VanDerWaalsContact C-N 3.34Å; A15-R17 PolarHBondContact O-N 3.29Å; R17-K20 VanDerWaalsContact O-CG 3.3Å; R17-K20 WeakPolarHBondContact O-CG 3.13Å; R17-L21 VanDerWaalsContact NH1-CD1 3.27Å; R17-D74 IonicContact CZ-OD2 3.95Å; R17-D74 IonicContact NE-OD2 2.63Å; R17-D74 PolarHBondContact NE-OD2 3.32Å; R17-D74 IonicContact NH2-OD2 2.97Å; R17-D74 PolarHBondContact NH2-OD2 3.44Å; R17-Y98 HydrophobicContact CB-CE1 4.04Å; R17-Y98 WeakPolarHBondContact CB-OH 3.26Å; R17-Y98 HydrophobicContact CG-CE1 4.46Å; R17-Y98 WeakPolarHBondContact CG-OH 3.45Å; R17-H102 VanDerWaalsContact CD-CD2 3.49Å; R17-H102 WeakPolarHBondContact CD-CD2 3.45Å; R17-H102 PolarHBondContact NE-CE1 2.93Å; R17-H102 PolarHBondContact NE-ND1 2.72Å; R17-H102 PolarHBondContact NE-NE2 2.56Å; R17-L104 HydrophobicContact CB-CD1 4.42Å |
| 18 | H | 98.7 | Very high | 98.2 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.5 | -44.4 | -177.8 | -72.7 | -68.8 | 0 | 0 | 0 | 111.4 | C14 A15 C16 K20 L21 D317 V320 I324 | C14-H18 PolarHBondContact O-CD2 2.83Å; C14-H18 PolarHBondContact O-N 2.8Å; A15-H18 PolarHBondContact O-N 3Å; C16-H18 VanDerWaalsContact C-N 3.27Å; C16-H18 PolarHBondContact O-N 2.93Å; H18-K20 VanDerWaalsContact C-N 3.34Å; H18-K20 PolarHBondContact O-N 2.99Å; H18-L21 WeakPolarHBondContact O-CB 3.44Å; H18-L21 PolarHBondContact O-N 3.24Å; H18-D317 IonicContact CD2-OD1 3.48Å; H18-D317 IonicContact CE1-OD1 2.73Å; H18-D317 PolarHBondContact CE1-OD1 2.84Å; H18-D317 IonicContact NE2-OD1 3.67Å; H18-D317 PolarHBondContact NE2-OD1 2.83Å; H18-V320 HydrophobicContact CB-CG1 3.71Å; H18-I324 HydrophobicContact CB-CD1 3.35Å |
| 19 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | -178.8 | -68.6 | 167.2 | 0 | 0 | 0 | 112.3 | I3 V5 A15 C16 L21 I22 W25 V27 F152 I324 | I3-L19 HydrophobicContact CB-CD1 4.5Å; I3-L19 HydrophobicContact CG1-CD2 4.38Å; I3-L19 HydrophobicContact CG2-CD1 3.78Å; I3-L19 HydrophobicContact CG2-CD2 4.24Å; V5-L19 HydrophobicContact CG2-CD1 3.82Å; A15-L19 HydrophobicContact CB-CD1 4.24Å; A15-L19 VanDerWaalsContact O-CB 3.32Å; A15-L19 WeakPolarHBondContact O-CB 3.48Å; A15-L19 WeakPolarHBondContact O-CD1 3.21Å; A15-L19 WeakPolarHBondContact O-CG 3.39Å; A15-L19 PolarHBondContact O-N 3.48Å; C16-L19 PolarHBondContact O-N 3.07Å; L19-L21 PolarHBondContact O-N 2.7Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L19-I22 PolarHBondContact O-N 2.88Å; L19-I22 VanDerWaalsContact O-N 3.12Å; L19-W25 HydrophobicContact CD2-CE3 3.79Å; L19-W25 HydrophobicContact CD2-CZ3 3.66Å; L19-V27 HydrophobicContact CB-CG1 4.43Å; L19-V27 HydrophobicContact CB-CG2 3.56Å; L19-V27 HydrophobicContact CD1-CG1 4.22Å; L19-F152 HydrophobicContact CD1-CD2 4.39Å; L19-F152 HydrophobicContact CD1-CE2 4.36Å; L19-F152 HydrophobicContact CD2-CE2 4.25Å; L19-F152 HydrophobicContact CD2-CZ 4.16Å; L19-I324 HydrophobicContact CD2-CD1 3.99Å; L19-I324 HydrophobicContact CD2-CG1 3.77Å; L19-I324 HydrophobicContact CG-CD1 4.22Å; L19-I324 HydrophobicContact CG-CG1 4.48Å |
| 20 | K | 97.5 | Very high | 98.3 | Very high | 42 Ų | 42 | 32 Ų | 32 | 18% | 0.183 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.5 | -179.1 | 70.8 | 167.8 | -78.8 | -164.3 | 0 | 114.6 | C16 R17 H18 H102 L104 Y107 | C16-K20 WeakPolarHBondContact O-CB 3.33Å; C16-K20 VanDerWaalsContact O-CG 3.25Å; C16-K20 WeakPolarHBondContact O-CG 3.37Å; C16-K20 PolarHBondContact O-N 3.05Å; R17-K20 VanDerWaalsContact O-CG 3.3Å; R17-K20 WeakPolarHBondContact O-CG 3.13Å; H18-K20 VanDerWaalsContact C-N 3.34Å; H18-K20 PolarHBondContact O-N 2.99Å; K20-H102 PolarHBondContact NZ-O 3.04Å; K20-L104 HydrophobicContact CD-CD2 3.49Å; K20-L104 VanDerWaalsContact CD-CD2 3.49Å; K20-L104 HydrophobicContact CG-CD2 4.47Å; K20-Y107 HydrophobicContact CB-CE1 4.16Å; K20-Y107 HydrophobicContact CB-CE2 4.4Å; K20-Y107 HydrophobicContact CD-CE2 4.34Å |
| 21 | L | 97.7 | Very high | 98.3 | Very high | 96 Ų | 96 | 32 Ų | 32 | 50% | 0.503 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.5 | 176.5 | -67.5 | -178.7 | 0 | 0 | 0 | 111.6 | R17 H18 L19 K23 | R17-L21 VanDerWaalsContact NH1-CD1 3.27Å; H18-L21 WeakPolarHBondContact O-CB 3.44Å; H18-L21 PolarHBondContact O-N 3.24Å; L19-L21 PolarHBondContact O-N 2.7Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L21-K23 PolarHBondContact O-N 2.86Å |
| 22 | I | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | trans | -87 | 96.9 | -176.4 | -54.2 | 164 | 0 | 0 | 0 | 108.7 | L19 S24 W25 I324 | L19-I22 PolarHBondContact O-N 2.88Å; L19-I22 VanDerWaalsContact O-N 3.12Å; I22-S24 PolarHBondContact O-N 2.9Å; I22-S24 VanDerWaalsContact O-N 3.14Å; I22-W25 HydrophobicContact CB-CB 4.29Å; I22-W25 HydrophobicContact CB-CD2 4.04Å; I22-W25 HydrophobicContact CB-CE3 4.21Å; I22-W25 HydrophobicContact CB-CG 4.1Å; I22-W25 HydrophobicContact CD1-CD2 3.97Å; I22-W25 HydrophobicContact CD1-CE3 3.45Å; I22-W25 VanDerWaalsContact CD1-CE3 3.45Å; I22-W25 HydrophobicContact CD1-CH2 3.71Å; I22-W25 HydrophobicContact CD1-CZ2 4.2Å; I22-W25 HydrophobicContact CD1-CZ3 3.32Å; I22-W25 HydrophobicContact CG1-CE3 4.44Å; I22-W25 HydrophobicContact CG2-CB 4.19Å; I22-W25 HydrophobicContact CG2-CD2 3.62Å; I22-W25 HydrophobicContact CG2-CE3 4.24Å; I22-W25 HydrophobicContact CG2-CG 3.59Å; I22-W25 HydrophobicContact CG2-CZ2 4.42Å; I22-W25 PolarHBondContact O-N 3Å; I22-I324 HydrophobicContact CD1-CG2 3.56Å | ||
| 23 | K | 96.1 | Very high | 98.1 | Very high | 182 Ų | 182 | 34.1 Ų | 34.1 | 79% | 0.791 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.6 | -171 | -59.2 | -58 | -178.7 | -173.7 | 0 | 115.1 | L21 W25 | L21-K23 PolarHBondContact O-N 2.86Å; K23-W25 PolarHBondContact O-N 3Å |
| 24 | S | 97.3 | Very high | 98 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 65% | 0.65 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2.9 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | M1 I22 | M1-S24 PolarHBondContact N-O 3.45Å; I22-S24 PolarHBondContact O-N 2.9Å; I22-S24 VanDerWaalsContact O-N 3.14Å |
| 25 | W | 98.1 | Very high | 97.9 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | trans | -111.7 | 146.8 | -179.2 | -62.3 | 7.2 | 0 | 0 | 0 | 111 | M1 I3 L19 I22 K23 I324 L327 K328 | M1-W25 HydrophobicContact CB-CD2 4.36Å; M1-W25 HydrophobicContact CB-CG 4.09Å; M1-W25 CarbonylContact O-C 3.28Å; M1-W25 WeakPolarHBondContact O-CA 3.49Å; M1-W25 HydrophobicContact SD-CZ2 4.14Å; I3-W25 HydrophobicContact CD1-CE3 4.3Å; I3-W25 HydrophobicContact CG1-CE3 4.08Å; L19-W25 HydrophobicContact CD2-CE3 3.79Å; L19-W25 HydrophobicContact CD2-CZ3 3.66Å; I22-W25 HydrophobicContact CB-CB 4.29Å; I22-W25 HydrophobicContact CB-CD2 4.04Å; I22-W25 HydrophobicContact CB-CE3 4.21Å; I22-W25 HydrophobicContact CB-CG 4.1Å; I22-W25 HydrophobicContact CD1-CD2 3.97Å; I22-W25 HydrophobicContact CD1-CE3 3.45Å; I22-W25 VanDerWaalsContact CD1-CE3 3.45Å; I22-W25 HydrophobicContact CD1-CH2 3.71Å; I22-W25 HydrophobicContact CD1-CZ2 4.2Å; I22-W25 HydrophobicContact CD1-CZ3 3.32Å; I22-W25 HydrophobicContact CG1-CE3 4.44Å; I22-W25 HydrophobicContact CG2-CB 4.19Å; I22-W25 HydrophobicContact CG2-CD2 3.62Å; I22-W25 HydrophobicContact CG2-CE3 4.24Å; I22-W25 HydrophobicContact CG2-CG 3.59Å; I22-W25 HydrophobicContact CG2-CZ2 4.42Å; I22-W25 PolarHBondContact O-N 3Å; K23-W25 PolarHBondContact O-N 3Å; W25-I324 HydrophobicContact CH2-CG2 4.27Å; W25-I324 HydrophobicContact CZ3-CG1 4.28Å; W25-I324 HydrophobicContact CZ3-CG2 4.37Å; W25-L327 HydrophobicContact CH2-CB 3.59Å; W25-L327 HydrophobicContact CH2-CD1 4.2Å; W25-L327 HydrophobicContact CZ2-CB 4.15Å; W25-L327 HydrophobicContact CZ3-CB 4.36Å; W25-L327 HydrophobicContact CZ3-CD1 4.17Å; W25-K328 HydrophobicContact CH2-CG 4.01Å; W25-K328 HydrophobicContact CZ2-CG 3.82Å | ||
| 26 | T | 98.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 44 Ų | 44 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.6 | 171.7 | 53.8 | 0 | 0 | 0 | 0 | 109 | M1 R2 I3 | M1-T26 PolarHBondContact O-N 2.69Å; R2-T26 CarbonylContact C-O 3.54Å; R2-T26 WeakPolarHBondContact CA-O 3.34Å; R2-T26 WeakPolarHBondContact CG-OG1 3.37Å; I3-T26 PolarHBondContact N-O 2.85Å |
| 27 | V | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.5 | -173.4 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | I3 V5 L19 Y107 | I3-V27 WeakPolarHBondContact O-CA 3.25Å; V5-V27 HydrophobicContact CG2-CG1 4.05Å; L19-V27 HydrophobicContact CB-CG1 4.43Å; L19-V27 HydrophobicContact CB-CG2 3.56Å; L19-V27 HydrophobicContact CD1-CG1 4.22Å; V27-Y107 HydrophobicContact CB-CD1 4.08Å |
| 28 | V | 98.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.7 | 170.2 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | I3 C4 V5 Y30 K109 F148 | I3-V28 PolarHBondContact O-N 3.23Å; C4-V28 CarbonylContact C-O 3.57Å; C4-V28 WeakPolarHBondContact CA-O 3.42Å; V5-V28 PolarHBondContact N-O 3.18Å; V28-Y30 HydrophobicContact CG1-CE1 4.04Å; V28-Y30 HydrophobicContact CG1-CE2 4.06Å; V28-K109 HydrophobicContact CG1-CD 3.91Å; V28-K109 HydrophobicContact CG1-CG 4.34Å; V28-F148 HydrophobicContact CB-CE1 3.99Å; V28-F148 HydrophobicContact CB-CZ 4.22Å; V28-F148 HydrophobicContact CG2-CE1 4.18Å |
| 29 | I | 98.8 | Very high | 97.5 | 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 | -103.1 | 134.1 | 171.4 | -40.7 | -170.6 | 0 | 0 | 0 | 109.3 | V5 G7 A8 C16 Y107 I108 K109 | V5-I29 HydrophobicContact CB-CB 4.26Å; V5-I29 HydrophobicContact CB-CG1 3.97Å; V5-I29 HydrophobicContact CB-CG2 4.02Å; V5-I29 HydrophobicContact CG1-CG2 4.12Å; V5-I29 HydrophobicContact CG2-CG1 4.38Å; V5-I29 CarbonylContact O-C 3.44Å; V5-I29 VanDerWaalsContact O-CA 3.28Å; V5-I29 WeakPolarHBondContact O-CA 3.48Å; G7-I29 WeakPolarHBondContact O-CG2 3.38Å; A8-I29 HydrophobicContact CB-CG2 4.12Å; C16-I29 HydrophobicContact CB-CD1 3.39Å; C16-I29 HydrophobicContact CB-CG1 4.37Å; I29-Y107 PolarHBondContact N-O 3.47Å; I29-I108 HydrophobicContact CB-CB 4.46Å; I29-I108 HydrophobicContact CB-CG1 4.15Å; I29-I108 HydrophobicContact CB-CG2 4.39Å; I29-I108 HydrophobicContact CD1-CD1 4.36Å; I29-I108 HydrophobicContact CD1-CG1 3.83Å; I29-I108 HydrophobicContact CG1-CG1 4.23Å; I29-K109 PolarHBondContact O-N 3.44Å |
| 30 | Y | 98.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.2 | 167.8 | -62.5 | -69.7 | 0 | 0 | 0 | 110 | V5 G7 V28 K109 H112 V114 V133 V135 E146 F148 | V5-Y30 PolarHBondContact O-N 3Å; G7-Y30 WeakPolarHBondContact CA-O 3.24Å; G7-Y30 PolarHBondContact N-O 2.92Å; V28-Y30 HydrophobicContact CG1-CE1 4.04Å; V28-Y30 HydrophobicContact CG1-CE2 4.06Å; Y30-K109 HydrophobicContact CD1-CB 3.96Å; Y30-K109 HydrophobicContact CD1-CD 4.03Å; Y30-K109 HydrophobicContact CE1-CB 4.27Å; Y30-K109 HydrophobicContact CE1-CD 3.46Å; Y30-K109 VanDerWaalsContact CE1-CD 3.46Å; Y30-K109 HydrophobicContact CE1-CG 4.44Å; Y30-H112 HydrophobicContact CD1-CB 3.68Å; Y30-H112 HydrophobicContact CG-CB 4.43Å; Y30-V114 HydrophobicContact CD2-CG2 3.82Å; Y30-V114 HydrophobicContact CG-CG2 3.97Å; Y30-V133 HydrophobicContact CD2-CG1 4.5Å; Y30-V133 HydrophobicContact CE2-CG1 4.27Å; Y30-V135 HydrophobicContact CD1-CB 4.46Å; Y30-V135 HydrophobicContact CD1-CG1 3.68Å; Y30-V135 HydrophobicContact CD1-CG2 4.11Å; Y30-V135 HydrophobicContact CD2-CG2 3.93Å; Y30-V135 HydrophobicContact CE1-CB 4.26Å; Y30-V135 HydrophobicContact CE1-CG1 3.88Å; Y30-V135 HydrophobicContact CE1-CG2 3.88Å; Y30-V135 HydrophobicContact CE2-CG2 3.73Å; Y30-V135 HydrophobicContact CG-CG1 4.14Å; Y30-V135 HydrophobicContact CG-CG2 4.11Å; Y30-E146 PolarHBondContact OH-OE1 3.02Å; Y30-F148 HydrophobicContact CE2-CE2 4.27Å; Y30-F148 AromaticContact CE2-CZ 3.88Å; Y30-F148 HydrophobicContact CE2-CZ 3.88Å |
| 31 | E | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | trans | -113.1 | 128.6 | 173.8 | 174.9 | 50.6 | -103.7 | 0 | 0 | 109 | A8 L33 I108 K109 F110 M111 H112 | A8-E31 WeakPolarHBondContact CA-OE2 3.41Å; A8-E31 HydrophobicContact CB-CB 3.7Å; A8-E31 HydrophobicContact CB-CG 3.93Å; A8-E31 PolarHBondContact N-OE2 3.21Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 HydrophobicContact CG-CB 4.27Å; E31-L33 WeakPolarHBondContact OE1-CB 3.4Å; E31-L33 PolarHBondContact OE1-N 3.28Å; E31-I108 HydrophobicContact CB-CG2 3.96Å; E31-K109 PolarHBondContact N-O 3.48Å; E31-F110 HydrophobicContact CB-CD1 3.85Å; E31-F110 HydrophobicContact CB-CE1 4.21Å; E31-F110 HydrophobicContact CG-CD1 3.73Å; E31-F110 HydrophobicContact CG-CE1 4.02Å; E31-F110 CarbonylContact O-C 3.6Å; E31-F110 VanDerWaalsContact O-C 3.31Å; E31-F110 WeakPolarHBondContact O-CA 3.32Å; E31-M111 PolarHBondContact O-N 2.98Å; E31-H112 CarbonylContact C-O 3.47Å; E31-H112 VanDerWaalsContact C-O 3.29Å; E31-H112 PolarHBondContact O-N 3.24Å | ||
| 32 | C | 97.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -78.9 | -18.8 | -178.4 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | V52 H112 L113 L138 | C32-V52 HydrophobicContact CB-CB 4.44Å; C32-V52 HydrophobicContact CB-CG1 3.98Å; C32-H112 PolarHBondContact N-O 3.31Å; C32-L113 HydrophobicContact CB-CB 4.42Å; C32-L113 HydrophobicContact CB-CD1 4.12Å; C32-L138 HydrophobicContact CB-CD1 4.41Å; C32-L138 VanDerWaalsContact O-CD1 3.22Å; C32-L138 WeakPolarHBondContact O-CD1 3.4Å |
| 33 | L | 96.2 | Very high | 97 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -93.1 | -179.3 | 173 | -57.4 | 178.9 | 0 | 0 | 0 | 111.5 | E31 V52 P55 F110 M111 | E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 HydrophobicContact CG-CB 4.27Å; E31-L33 WeakPolarHBondContact OE1-CB 3.4Å; E31-L33 PolarHBondContact OE1-N 3.28Å; L33-V52 HydrophobicContact CD2-CG2 4.24Å; L33-P55 HydrophobicContact CD1-CG 3.72Å; L33-F110 WeakPolarHBondContact O-CB 3.25Å; L33-F110 WeakPolarHBondContact O-CD1 3.42Å; L33-M111 PolarHBondContact O-N 3.46Å |
| 34 | D | 96.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 39 Ų | 39 | 62% | 0.62 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -95.4 | -3.4 | -174.8 | 59.8 | -7.4 | 0 | 0 | 0 | 114.4 | M111 | D34-M111 HydrophobicContact CB-CG 4.41Å; D34-M111 HydrophobicContact CB-SD 3.96Å |
| 35 | K | 97.2 | Very high | 96.6 | Very high | 88 Ų | 88 | 42 Ų | 42 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -153.5 | 163.5 | 179 | 61.6 | 178.1 | 175.5 | 159.4 | 0 | 112.9 | N41 F110 | K35-N41 WeakPolarHBondContact CE-OD1 3.42Å; K35-N41 PolarHBondContact NZ-OD1 3.28Å; K35-N41 VanDerWaalsContact NZ-OD1 3.09Å; K35-F110 VanDerWaalsContact CA-CE1 3.43Å |
| 36 | V | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -70.6 | 166.7 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | A8 I13 N41 Q96 A99 L105 I108 F110 | A8-V36 HydrophobicContact CB-CG1 4.21Å; A8-V36 WeakPolarHBondContact O-CA 3.37Å; I13-V36 HydrophobicContact CG2-CB 4.25Å; I13-V36 HydrophobicContact CG2-CG1 4.11Å; V36-N41 PolarHBondContact O-ND2 2.9Å; V36-Q96 HydrophobicContact CG2-CB 4.43Å; V36-A99 HydrophobicContact CG1-CB 4.26Å; V36-A99 HydrophobicContact CG2-CB 4.06Å; V36-L105 HydrophobicContact CG1-CD2 3.97Å; V36-I108 HydrophobicContact CG1-CD1 3.5Å; V36-I108 VanDerWaalsContact CG1-CD1 3.5Å; V36-F110 HydrophobicContact CG1-CE1 4.05Å; V36-F110 HydrophobicContact CG1-CZ 3.79Å |
| 37 | G | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | 108.2 | -18.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A8 T39 W40 | A8-G37 PolarHBondContact O-N 3.2Å; G37-T39 PolarHBondContact O-N 2.78Å; G37-W40 PolarHBondContact O-N 3.48Å | ||
| 38 | G | 95.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 53.8 | -122.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W40 N41 | G38-W40 PolarHBondContact O-N 2.72Å; G38-W40 VanDerWaalsContact O-N 3.09Å; G38-N41 PolarHBondContact N-ND2 3.13Å; G38-N41 WeakPolarHBondContact O-CB 3.43Å; G38-N41 PolarHBondContact O-N 2.64Å; G38-N41 VanDerWaalsContact O-N 3.14Å; G38-N41 PolarHBondContact O-ND2 3.35Å |
| 39 | T | 94.5 | Very high | 93.7 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -59.9 | -21.7 | -176.3 | -162.3 | 0 | 0 | 0 | 0 | 114.5 | G37 N41 M57 | G37-T39 PolarHBondContact O-N 2.78Å; T39-N41 PolarHBondContact O-N 2.83Å; T39-M57 HydrophobicContact CG2-CE 4.48Å; T39-M57 WeakPolarHBondContact O-CB 3.44Å; T39-M57 VanDerWaalsContact O-CE 3.28Å; T39-M57 WeakPolarHBondContact O-CE 3.46Å |
| 40 | W | 96.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -75.1 | -16.2 | -179.2 | -66.9 | 101.8 | 0 | 0 | 0 | 113.4 | G37 G38 Y42 M57 L61 T63 M70 H88 V91 A92 L95 | G37-W40 PolarHBondContact O-N 3.48Å; G38-W40 PolarHBondContact O-N 2.72Å; G38-W40 VanDerWaalsContact O-N 3.09Å; W40-Y42 PolarHBondContact O-N 2.76Å; W40-Y42 VanDerWaalsContact O-N 3.16Å; W40-M57 HydrophobicContact CD2-CE 4.06Å; W40-M57 HydrophobicContact CE3-CE 3.63Å; W40-M57 HydrophobicContact CZ3-CE 4.03Å; W40-L61 HydrophobicContact CZ3-CD2 3.86Å; W40-T63 HydrophobicContact CH2-CG2 3.97Å; W40-T63 HydrophobicContact CZ3-CG2 4.14Å; W40-M70 HydrophobicContact CH2-CE 3.94Å; W40-M70 HydrophobicContact CZ2-CE 3.94Å; W40-H88 HydrophobicContact CE3-CB 4.05Å; W40-H88 HydrophobicContact CZ3-CB 4.36Å; W40-V91 HydrophobicContact CD2-CB 3.78Å; W40-V91 HydrophobicContact CD2-CG1 3.4Å; W40-V91 VanDerWaalsContact CD2-CG1 3.4Å; W40-V91 HydrophobicContact CE3-CB 3.53Å; W40-V91 HydrophobicContact CE3-CG1 3.69Å; W40-V91 HydrophobicContact CE3-CG2 3.97Å; W40-V91 HydrophobicContact CG-CB 4.33Å; W40-V91 HydrophobicContact CG-CG1 3.82Å; W40-V91 HydrophobicContact CH2-CB 4.4Å; W40-V91 HydrophobicContact CH2-CG1 4.17Å; W40-V91 HydrophobicContact CH2-CG2 4.13Å; W40-V91 HydrophobicContact CZ2-CG1 3.91Å; W40-V91 HydrophobicContact CZ3-CB 3.87Å; W40-V91 HydrophobicContact CZ3-CG1 4.06Å; W40-V91 HydrophobicContact CZ3-CG2 3.75Å; W40-A92 HydrophobicContact CB-CB 4.15Å; W40-L95 HydrophobicContact CB-CD1 4.22Å; W40-L95 VanDerWaalsContact CD1-CD1 3.43Å; W40-L95 HydrophobicContact CG-CD1 4Å |
| 41 | N | 96 | Very high | 92.5 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | trans | -73.8 | 105.7 | 175 | -70.1 | -50.7 | 0 | 0 | 0 | 110.5 | K35 V36 G38 T39 P55 | K35-N41 WeakPolarHBondContact CE-OD1 3.42Å; K35-N41 PolarHBondContact NZ-OD1 3.28Å; K35-N41 VanDerWaalsContact NZ-OD1 3.09Å; V36-N41 PolarHBondContact O-ND2 2.9Å; G38-N41 PolarHBondContact N-ND2 3.13Å; G38-N41 WeakPolarHBondContact O-CB 3.43Å; G38-N41 PolarHBondContact O-N 2.64Å; G38-N41 VanDerWaalsContact O-N 3.14Å; G38-N41 PolarHBondContact O-ND2 3.35Å; T39-N41 PolarHBondContact O-N 2.83Å; N41-P55 HydrophobicContact CB-CG 4.15Å; N41-P55 WeakPolarHBondContact O-CB 3.45Å; N41-P55 WeakPolarHBondContact O-CG 3.39Å | ||
| 42 | Y | 95.6 | Very high | 92.1 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | trans | -68.3 | 144.9 | 170 | 176.2 | -98.5 | 0 | 0 | 0 | 112 | W40 E44 M57 K59 H88 R183 | W40-Y42 PolarHBondContact O-N 2.76Å; W40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-E44 HydrophobicContact CE1-CG 4.22Å; Y42-E44 VanDerWaalsContact CE1-OE1 3.22Å; Y42-E44 WeakPolarHBondContact CE1-OE1 3.35Å; Y42-E44 PolarHBondContact OH-OE1 2.83Å; Y42-E44 PolarHBondContact OH-OE2 2.88Å; Y42-M57 WeakPolarHBondContact CD2-O 3.2Å; Y42-K59 HydrophobicContact CD2-CB 4.44Å; Y42-K59 HydrophobicContact CE1-CG 4.5Å; Y42-K59 HydrophobicContact CE2-CB 3.68Å; Y42-K59 HydrophobicContact CE2-CG 4.43Å; Y42-H88 WeakPolarHBondContact CB-CE1 3.29Å; Y42-H88 AromaticContact CG-CE1 3.84Å; Y42-R183 HydrophobicContact CE2-CB 4.41Å | ||
| 43 | T | 93.9 | Very high | 91.8 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | trans | -147.7 | 139.1 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | R45 R183 | T43-R45 HydrophobicContact CG2-CB 4.38Å; T43-R45 PolarHBondContact O-N 3.36Å; T43-R45 PolarHBondContact OG1-N 2.84Å; T43-R183 VanDerWaalsContact O-CD 3.27Å; T43-R183 WeakPolarHBondContact O-CD 3.4Å; T43-R183 PolarHBondContact O-NE 3.39Å | ||
| 44 | E | 93.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -64.8 | -18.7 | 172 | -65.2 | -63 | 159.4 | 0 | 0 | 112.5 | Y42 | Y42-E44 HydrophobicContact CE1-CG 4.22Å; Y42-E44 VanDerWaalsContact CE1-OE1 3.22Å; Y42-E44 WeakPolarHBondContact CE1-OE1 3.35Å; Y42-E44 PolarHBondContact OH-OE1 2.83Å; Y42-E44 PolarHBondContact OH-OE2 2.88Å |
| 45 | R | 91.5 | Very high | 91.4 | Very high | 155 Ų | 155 | 54.3 Ų | 54.3 | 59% | 0.585 | 29% | 0.287 | S | S | * | . | trans | -72.6 | 135.3 | -179.3 | -64.6 | 172.2 | 60.5 | -166.9 | -2.9 | 110.7 | T43 L54 R183 | T43-R45 HydrophobicContact CG2-CB 4.38Å; T43-R45 PolarHBondContact O-N 3.36Å; T43-R45 PolarHBondContact OG1-N 2.84Å; R45-L54 HydrophobicContact CB-CD1 3.79Å; R45-R183 PolarHBondContact O-NH2 3.35Å | ||
| 46 | V | 89.2 | Confident | 91.1 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | trans | -96.7 | 166.9 | 165.6 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | G48 L54 D181 | V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 2.95Å; V46-G48 VanDerWaalsContact O-N 3.13Å; V46-L54 WeakPolarHBondContact O-CD1 3.29Å; V46-D181 HydrophobicContact CB-CB 4.24Å; V46-D181 HydrophobicContact CG1-CB 3.98Å; V46-D181 WeakPolarHBondContact CG1-O 3.45Å | ||
| 47 | Q | 83.2 | Confident | 90.9 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -47.8 | -47.5 | -169.3 | -176.3 | 61.6 | 34.3 | 0 | 0 | 113.8 | D49 S50 V52 L54 | Q47-D49 PolarHBondContact O-N 2.79Å; Q47-S50 PolarHBondContact NE2-O 2.93Å; Q47-S50 WeakPolarHBondContact O-CB 3.28Å; Q47-S50 PolarHBondContact O-N 2.77Å; Q47-V52 PolarHBondContact NE2-O 2.89Å; Q47-L54 VanDerWaalsContact OE1-N 3.09Å |
| 48 | G | 80.8 | Confident | 90.9 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 65% | 0.649 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | -138.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V46 S50 | V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 2.95Å; V46-G48 VanDerWaalsContact O-N 3.13Å; G48-S50 PolarHBondContact O-N 2.91Å |
| 49 | D | 80.3 | Confident | 90.9 | Very high | 177 Ų | 177 | 55.4 Ų | 55.4 | 95% | 0.947 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 14.6 | 175.6 | -59.5 | -36.2 | 0 | 0 | 0 | 113.5 | Q47 E51 | Q47-D49 PolarHBondContact O-N 2.79Å; D49-E51 PolarHBondContact O-N 2.96Å |
| 50 | S | 85.4 | Confident | 90.9 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -62.4 | 126.8 | -179.2 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | Q47 G48 V52 | Q47-S50 PolarHBondContact NE2-O 2.93Å; Q47-S50 WeakPolarHBondContact O-CB 3.28Å; Q47-S50 PolarHBondContact O-N 2.77Å; G48-S50 PolarHBondContact O-N 2.91Å; S50-V52 WeakPolarHBondContact CB-O 3.47Å; S50-V52 PolarHBondContact O-N 3.21Å; S50-V52 PolarHBondContact OG-N 3.02Å; S50-V52 PolarHBondContact OG-O 3.02Å | ||
| 51 | E | 87.2 | Confident | 90.9 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -64.6 | -26.9 | 175.1 | -175.5 | 176.1 | -168.1 | 0 | 0 | 112 | D49 K136 | D49-E51 PolarHBondContact O-N 2.96Å; E51-K136 IonicContact OE1-NZ 3.31Å; E51-K136 PolarHBondContact OE1-NZ 3.03Å; E51-K136 IonicContact OE2-NZ 3.07Å; E51-K136 PolarHBondContact OE2-NZ 3.32Å |
| 52 | V | 90.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -107.3 | 150.6 | 177 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | C32 L33 Q47 S50 L54 L113 L138 | C32-V52 HydrophobicContact CB-CB 4.44Å; C32-V52 HydrophobicContact CB-CG1 3.98Å; L33-V52 HydrophobicContact CD2-CG2 4.24Å; Q47-V52 PolarHBondContact NE2-O 2.89Å; S50-V52 WeakPolarHBondContact CB-O 3.47Å; S50-V52 PolarHBondContact O-N 3.21Å; S50-V52 PolarHBondContact OG-N 3.02Å; S50-V52 PolarHBondContact OG-O 3.02Å; V52-L54 PolarHBondContact O-N 2.84Å; V52-L113 HydrophobicContact CG1-CD1 4.32Å; V52-L113 HydrophobicContact CG1-CD2 4.27Å; V52-L138 HydrophobicContact CG1-CD1 3.52Å; V52-L138 HydrophobicContact CG1-CD2 4.25Å |
| 53 | N | 89.9 | Confident | 90.9 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 125.9 | 172.6 | -74.1 | -46.1 | 0 | 0 | 0 | 110.6 | S159 | N53-S159 VanDerWaalsContact CB-CB 3.47Å; N53-S159 PolarHBondContact ND2-OG 2.65Å |
| 54 | L | 91.4 | Very high | 90.9 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 155.6 | 174 | -61.2 | -177.3 | 0 | 0 | 0 | 111.3 | R45 V46 Q47 V52 | R45-L54 HydrophobicContact CB-CD1 3.79Å; V46-L54 WeakPolarHBondContact O-CD1 3.29Å; Q47-L54 VanDerWaalsContact OE1-N 3.09Å; V52-L54 PolarHBondContact O-N 2.84Å |
| 55 | P | 91.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 143.5 | 168 | -25.5 | 35.6 | 0 | 0 | 0 | 112 | L33 N41 R183 | L33-P55 HydrophobicContact CD1-CG 3.72Å; N41-P55 HydrophobicContact CB-CG 4.15Å; N41-P55 WeakPolarHBondContact O-CB 3.45Å; N41-P55 WeakPolarHBondContact O-CG 3.39Å; P55-R183 PolarHBondContact O-NH2 3.38Å |
| 56 | V | 92.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -104 | 12.3 | -173.6 | -56 | 0 | 0 | 0 | 0 | 113.2 | L158 R180 Y266 | V56-L158 VanDerWaalsContact CG1-O 3.24Å; V56-L158 WeakPolarHBondContact CG1-O 3.37Å; V56-L158 VanDerWaalsContact CG2-O 3.24Å; V56-L158 WeakPolarHBondContact CG2-O 3.45Å; V56-R180 HydrophobicContact CB-CG 4.42Å; V56-R180 HydrophobicContact CG1-CB 4.33Å; V56-R180 HydrophobicContact CG1-CG 3.55Å; V56-Y266 HydrophobicContact CG1-CE1 4.13Å | ||
| 57 | M | 94.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 6% | 0.064 | 24% | 0.235 | C | C | . | . | trans | -67.2 | 140.2 | -175.2 | -160.9 | 54.6 | 73.7 | 0 | 0 | 111.2 | T39 W40 Y42 L61 H88 | T39-M57 HydrophobicContact CG2-CE 4.48Å; T39-M57 WeakPolarHBondContact O-CB 3.44Å; T39-M57 VanDerWaalsContact O-CE 3.28Å; T39-M57 WeakPolarHBondContact O-CE 3.46Å; W40-M57 HydrophobicContact CD2-CE 4.06Å; W40-M57 HydrophobicContact CE3-CE 3.63Å; W40-M57 HydrophobicContact CZ3-CE 4.03Å; Y42-M57 WeakPolarHBondContact CD2-O 3.2Å; M57-L61 HydrophobicContact CE-CD1 4.23Å; M57-L61 HydrophobicContact CE-CD2 4.34Å; M57-L61 HydrophobicContact CG-CB 4.48Å; M57-L61 HydrophobicContact SD-CB 3.66Å; M57-L61 HydrophobicContact SD-CD1 3.23Å; M57-L61 WeakPolarHBondContact SD-CD1 3.42Å; M57-L61 HydrophobicContact SD-CD2 3.7Å; M57-L61 HydrophobicContact SD-CG 3.67Å; M57-H88 HydrophobicContact CE-CB 4.35Å; M57-H88 HydrophobicContact CG-CB 3.66Å; M57-H88 HydrophobicContact SD-CB 3.88Å | ||
| 58 | Y | 94.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | trans | -102 | 152.8 | 170.6 | 56.6 | -89 | 0 | 0 | 0 | 110.8 | N60 L61 Y182 R183 D204 I205 | Y58-N60 VanDerWaalsContact C-N 3.34Å; Y58-N60 PolarHBondContact O-N 3.5Å; Y58-L61 HydrophobicContact CD1-CB 4.42Å; Y58-L61 HydrophobicContact CD1-CD1 4.13Å; Y58-L61 HydrophobicContact CD2-CB 3.79Å; Y58-L61 HydrophobicContact CE1-CB 4.18Å; Y58-L61 HydrophobicContact CE1-CD1 3.42Å; Y58-L61 VanDerWaalsContact CE1-CD1 3.42Å; Y58-L61 HydrophobicContact CE1-CG 4.21Å; Y58-L61 VanDerWaalsContact CE2-CA 3.45Å; Y58-L61 HydrophobicContact CE2-CB 3.51Å; Y58-L61 HydrophobicContact CE2-CD1 4.2Å; Y58-L61 HydrophobicContact CE2-CG 4.08Å; Y58-L61 HydrophobicContact CG-CB 4.23Å; Y58-L61 VanDerWaalsContact CZ-CD1 3.45Å; Y58-L61 WeakPolarHBondContact O-CB 3.5Å; Y58-L61 PolarHBondContact O-N 3.28Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; Y58-L61 WeakPolarHBondContact OH-CD1 3.13Å; Y58-Y182 HydrophobicContact CD1-CD1 4.47Å; Y58-Y182 HydrophobicContact CD2-CE1 4.27Å; Y58-Y182 HydrophobicContact CG-CD1 4.05Å; Y58-Y182 HydrophobicContact CG-CE1 4.1Å; Y58-R183 WeakPolarHBondContact CB-O 3.43Å; Y58-D204 WeakPolarHBondContact OH-CB 3.3Å; Y58-D204 PolarHBondContact OH-OD2 2.97Å; Y58-I205 HydrophobicContact CE1-CD1 4.46Å; Y58-I205 HydrophobicContact CE1-CG1 4.46Å | ||
| 59 | K | 96.2 | Very high | 93.2 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39.1 | -162.7 | -172.7 | 173.7 | 179.3 | 171.9 | 0 | 113.6 | Y42 L61 H88 R183 E184 | Y42-K59 HydrophobicContact CD2-CB 4.44Å; Y42-K59 HydrophobicContact CE1-CG 4.5Å; Y42-K59 HydrophobicContact CE2-CB 3.68Å; Y42-K59 HydrophobicContact CE2-CG 4.43Å; K59-L61 VanDerWaalsContact C-N 3.34Å; K59-H88 PolarHBondContact O-CD2 3.45Å; K59-H88 VanDerWaalsContact O-CD2 3.3Å; K59-H88 PolarHBondContact O-NE2 3.34Å; K59-H88 VanDerWaalsContact O-NE2 3.15Å; K59-R183 VanDerWaalsContact CB-O 3.28Å; K59-R183 WeakPolarHBondContact CB-O 2.9Å; K59-R183 PolarHBondContact N-O 2.95Å; K59-E184 HydrophobicContact CB-CB 4.48Å; K59-E184 HydrophobicContact CD-CB 4.35Å; K59-E184 VanDerWaalsContact CD-OE2 3.27Å; K59-E184 WeakPolarHBondContact CD-OE2 3.28Å; K59-E184 IonicContact NZ-OE2 3.63Å; K59-E184 PolarHBondContact NZ-OE2 3.15Å |
| 60 | N | 95.2 | Very high | 94 | Very high | 90 Ų | 90 | 31.3 Ų | 31.3 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 17.4 | -176.3 | -58.7 | -39.1 | 0 | 0 | 0 | 112.2 | Y58 V62 E208 | Y58-N60 VanDerWaalsContact C-N 3.34Å; Y58-N60 PolarHBondContact O-N 3.5Å; N60-V62 PolarHBondContact O-N 3.46Å; N60-E208 WeakPolarHBondContact CB-OE1 3.44Å; N60-E208 PolarHBondContact ND2-OE1 3.44Å |
| 61 | L | 95.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | trans | -63.5 | 122.2 | 178.1 | -174.4 | 142.9 | 0 | 0 | 0 | 110.4 | W40 M57 Y58 K59 G87 H88 | W40-L61 HydrophobicContact CZ3-CD2 3.86Å; M57-L61 HydrophobicContact CE-CD1 4.23Å; M57-L61 HydrophobicContact CE-CD2 4.34Å; M57-L61 HydrophobicContact CG-CB 4.48Å; M57-L61 HydrophobicContact SD-CB 3.66Å; M57-L61 HydrophobicContact SD-CD1 3.23Å; M57-L61 WeakPolarHBondContact SD-CD1 3.42Å; M57-L61 HydrophobicContact SD-CD2 3.7Å; M57-L61 HydrophobicContact SD-CG 3.67Å; Y58-L61 HydrophobicContact CD1-CB 4.42Å; Y58-L61 HydrophobicContact CD1-CD1 4.13Å; Y58-L61 HydrophobicContact CD2-CB 3.79Å; Y58-L61 HydrophobicContact CE1-CB 4.18Å; Y58-L61 HydrophobicContact CE1-CD1 3.42Å; Y58-L61 VanDerWaalsContact CE1-CD1 3.42Å; Y58-L61 HydrophobicContact CE1-CG 4.21Å; Y58-L61 VanDerWaalsContact CE2-CA 3.45Å; Y58-L61 HydrophobicContact CE2-CB 3.51Å; Y58-L61 HydrophobicContact CE2-CD1 4.2Å; Y58-L61 HydrophobicContact CE2-CG 4.08Å; Y58-L61 HydrophobicContact CG-CB 4.23Å; Y58-L61 VanDerWaalsContact CZ-CD1 3.45Å; Y58-L61 WeakPolarHBondContact O-CB 3.5Å; Y58-L61 PolarHBondContact O-N 3.28Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; Y58-L61 WeakPolarHBondContact OH-CD1 3.13Å; K59-L61 VanDerWaalsContact C-N 3.34Å; L61-G87 WeakPolarHBondContact O-CA 3.29Å; L61-H88 HydrophobicContact CB-CB 4.37Å; L61-H88 HydrophobicContact CD2-CB 4.06Å; L61-H88 PolarHBondContact O-N 2.84Å | ||
| 62 | V | 95.7 | Very high | 95.1 | Very high | 49 Ų | 49 | 25.1 Ų | 25.1 | 30% | 0.297 | 13% | 0.132 | S | C | . | . | B | Isolated β-bridge | trans | -111 | 139.9 | 167.1 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | N60 F85 V86 K407 | N60-V62 PolarHBondContact O-N 3.46Å; V62-F85 HydrophobicContact CG1-CB 3.76Å; V62-V86 CarbonylContact C-O 3.53Å; V62-V86 WeakPolarHBondContact CA-O 3.18Å; V62-K407 HydrophobicContact CB-CD 4.24Å; V62-K407 HydrophobicContact CG1-CD 4.05Å; V62-K407 PolarHBondContact O-NZ 3.5Å |
| 63 | T | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | trans | -53.2 | 147.5 | -179.7 | 59.2 | 0 | 0 | 0 | 0 | 112 | W40 L65 M70 F85 V86 V91 K407 | W40-T63 HydrophobicContact CH2-CG2 3.97Å; W40-T63 HydrophobicContact CZ3-CG2 4.14Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 VanDerWaalsContact CB-O 3.28Å; T63-L65 WeakPolarHBondContact CB-O 3.41Å; T63-L65 PolarHBondContact OG1-O 2.99Å; T63-M70 HydrophobicContact CG2-CE 3.83Å; T63-M70 HydrophobicContact CG2-SD 3.65Å; T63-F85 WeakPolarHBondContact O-CD1 3.18Å; T63-V86 HydrophobicContact CG2-CG2 3.92Å; T63-V86 WeakPolarHBondContact CG2-O 3.36Å; T63-V86 PolarHBondContact N-O 2.81Å; T63-V86 PolarHBondContact OG1-N 3.03Å; T63-V86 VanDerWaalsContact OG1-N 3.12Å; T63-V91 HydrophobicContact CG2-CG2 3.7Å; T63-K407 WeakPolarHBondContact O-CE 3.36Å | ||
| 64 | N | 94.2 | Very high | 95.5 | Very high | 38 Ų | 38 | 27.9 Ų | 27.9 | 20% | 0.203 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -89.2 | -4.5 | 173.2 | -69.5 | -48.6 | 0 | 0 | 0 | 112.6 | D204 Y406 K407 | N64-D204 PolarHBondContact OD1-OD2 3.45Å; N64-Y406 WeakPolarHBondContact CA-OH 3.35Å; N64-Y406 PolarHBondContact OD1-OH 2.8Å; N64-K407 WeakPolarHBondContact OD1-CE 3.41Å; N64-K407 PolarHBondContact OD1-NZ 3.4Å |
| 65 | L | 96.8 | Very high | 95.8 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.12 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -128.2 | 149 | 178.7 | -63 | 168 | 0 | 0 | 0 | 108.5 | T63 I69 M70 L311 Y392 | T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 VanDerWaalsContact CB-O 3.28Å; T63-L65 WeakPolarHBondContact CB-O 3.41Å; T63-L65 PolarHBondContact OG1-O 2.99Å; L65-I69 HydrophobicContact CB-CD1 4.46Å; L65-I69 HydrophobicContact CD2-CD1 4.26Å; L65-M70 HydrophobicContact CB-CG 3.64Å; L65-M70 HydrophobicContact CB-SD 3.64Å; L65-M70 HydrophobicContact CD1-CG 4.45Å; L65-L311 HydrophobicContact CD1-CD1 3.79Å; L65-Y392 HydrophobicContact CD1-CD2 4.48Å; L65-Y392 HydrophobicContact CD1-CE2 4.32Å; L65-Y392 HydrophobicContact CD2-CD2 3.74Å; L65-Y392 HydrophobicContact CD2-CE2 3.86Å |
| 66 | P | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -71.9 | 144.5 | 177.7 | 26.1 | -29.2 | 0 | 0 | 0 | 111.2 | E68 I69 M70 S84 F85 I391 I395 V411 | P66-E68 VanDerWaalsContact CB-OE2 3.31Å; P66-E68 WeakPolarHBondContact CB-OE2 3.48Å; P66-E68 PolarHBondContact O-N 3.23Å; P66-E68 VanDerWaalsContact O-N 3.14Å; P66-I69 HydrophobicContact CG-CD1 4.14Å; P66-I69 HydrophobicContact CG-CG1 3.95Å; P66-I69 VanDerWaalsContact O-CG1 3.31Å; P66-I69 WeakPolarHBondContact O-CG1 3.49Å; P66-I69 PolarHBondContact O-N 2.84Å; P66-I69 VanDerWaalsContact O-N 3.11Å; P66-M70 WeakPolarHBondContact O-CG 3.37Å; P66-M70 PolarHBondContact O-N 3.33Å; P66-S84 CarbonylContact C-O 3.57Å; P66-S84 WeakPolarHBondContact CA-O 3.31Å; P66-F85 HydrophobicContact CB-CE2 4.44Å; P66-F85 HydrophobicContact CB-CZ 4.31Å; P66-F85 HydrophobicContact CG-CZ 4.42Å; P66-I391 HydrophobicContact CG-CG2 3.74Å; P66-I395 HydrophobicContact CG-CG1 4.12Å; P66-V411 HydrophobicContact CB-CB 4.28Å; P66-V411 HydrophobicContact CB-CG2 3.78Å; P66-V411 HydrophobicContact CG-CG2 3.9Å | ||
| 67 | K | 97.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.1 | -175.9 | 73 | 178.1 | -171.4 | -67.9 | 0 | 112.4 | I69 M70 A71 F77 I81 K83 S84 V86 | K67-I69 PolarHBondContact O-N 2.87Å; K67-M70 PolarHBondContact O-N 3.42Å; K67-A71 PolarHBondContact O-N 2.95Å; K67-F77 HydrophobicContact CB-CB 4.4Å; K67-F77 HydrophobicContact CB-CD1 4.33Å; K67-F77 HydrophobicContact CB-CD2 3.78Å; K67-F77 HydrophobicContact CB-CE2 4.08Å; K67-F77 HydrophobicContact CB-CG 3.92Å; K67-F77 HydrophobicContact CB-CZ 4.48Å; K67-F77 HydrophobicContact CD-CB 3.93Å; K67-F77 HydrophobicContact CD-CG 4.26Å; K67-F77 HydrophobicContact CG-CB 4.3Å; K67-F77 HydrophobicContact CG-CD2 4.46Å; K67-F77 HydrophobicContact CG-CG 4.36Å; K67-F77 WeakPolarHBondContact O-CD2 3.47Å; K67-F77 WeakPolarHBondContact O-CE2 3.22Å; K67-I81 HydrophobicContact CD-CB 4.24Å; K67-I81 HydrophobicContact CD-CG2 4.03Å; K67-I81 WeakPolarHBondContact CE-O 3.39Å; K67-I81 PolarHBondContact NZ-O 3.36Å; K67-K83 PolarHBondContact NZ-O 2.79Å; K67-S84 PolarHBondContact N-O 3.34Å; K67-V86 HydrophobicContact CB-CG1 4.22Å; K67-V86 HydrophobicContact CB-CG2 4.41Å; K67-V86 HydrophobicContact CD-CG1 4Å |
| 68 | E | 97 | Very high | 96.3 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.8 | -179.1 | -64.4 | 76.1 | -169.1 | 0 | 0 | 112.5 | P66 S84 V411 L413 | P66-E68 VanDerWaalsContact CB-OE2 3.31Å; P66-E68 WeakPolarHBondContact CB-OE2 3.48Å; P66-E68 PolarHBondContact O-N 3.23Å; P66-E68 VanDerWaalsContact O-N 3.14Å; E68-S84 VanDerWaalsContact CD-OG 3.27Å; E68-S84 PolarHBondContact OE1-OG 2.63Å; E68-S84 WeakPolarHBondContact OE2-CB 3.38Å; E68-S84 PolarHBondContact OE2-OG 3.31Å; E68-V411 HydrophobicContact CB-CG1 4.11Å; E68-V411 HydrophobicContact CG-CB 4.19Å; E68-V411 HydrophobicContact CG-CG1 4.09Å; E68-V411 VanDerWaalsContact OE1-O 3.08Å; E68-L413 HydrophobicContact CB-CD1 4.44Å; E68-L413 HydrophobicContact CB-CD2 4.28Å; E68-L413 HydrophobicContact CB-CG 4.27Å |
| 69 | I | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -8.9 | 174.1 | 66.3 | 169.2 | 0 | 0 | 0 | 113.1 | L65 P66 K67 A71 L311 Y387 L388 I391 | L65-I69 HydrophobicContact CB-CD1 4.46Å; L65-I69 HydrophobicContact CD2-CD1 4.26Å; P66-I69 HydrophobicContact CG-CD1 4.14Å; P66-I69 HydrophobicContact CG-CG1 3.95Å; P66-I69 VanDerWaalsContact O-CG1 3.31Å; P66-I69 WeakPolarHBondContact O-CG1 3.49Å; P66-I69 PolarHBondContact O-N 2.84Å; P66-I69 VanDerWaalsContact O-N 3.11Å; K67-I69 PolarHBondContact O-N 2.87Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-L311 HydrophobicContact CB-CD1 4Å; I69-L311 HydrophobicContact CB-CD2 4.11Å; I69-L311 HydrophobicContact CD1-CD1 3.68Å; I69-L311 HydrophobicContact CD1-CD2 4.46Å; I69-L311 HydrophobicContact CG1-CD1 3.67Å; I69-L311 WeakPolarHBondContact O-CD1 3.47Å; I69-L311 WeakPolarHBondContact O-CG 3.47Å; I69-Y387 HydrophobicContact CG2-CD2 4.16Å; I69-Y387 HydrophobicContact CG2-CE2 4.3Å; I69-L388 HydrophobicContact CB-CD2 3.77Å; I69-L388 HydrophobicContact CG2-CD2 3.86Å; I69-I391 HydrophobicContact CD1-CB 4.46Å; I69-I391 HydrophobicContact CD1-CG2 3.98Å; I69-I391 HydrophobicContact CG2-CB 3.83Å; I69-I391 HydrophobicContact CG2-CD1 3.66Å; I69-I391 HydrophobicContact CG2-CG1 4.35Å; I69-I391 HydrophobicContact CG2-CG2 3.89Å |
| 70 | M | 97 | Very high | 96.1 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -90.4 | 10.2 | 179 | -71.2 | -170.4 | 65.4 | 0 | 0 | 113.5 | W40 T63 L65 P66 K67 F77 F313 | W40-M70 HydrophobicContact CH2-CE 3.94Å; W40-M70 HydrophobicContact CZ2-CE 3.94Å; T63-M70 HydrophobicContact CG2-CE 3.83Å; T63-M70 HydrophobicContact CG2-SD 3.65Å; L65-M70 HydrophobicContact CB-CG 3.64Å; L65-M70 HydrophobicContact CB-SD 3.64Å; L65-M70 HydrophobicContact CD1-CG 4.45Å; P66-M70 WeakPolarHBondContact O-CG 3.37Å; P66-M70 PolarHBondContact O-N 3.33Å; K67-M70 PolarHBondContact O-N 3.42Å; M70-F77 HydrophobicContact CB-CE2 4.22Å; M70-F313 WeakPolarHBondContact O-CD2 3.49Å; M70-F313 WeakPolarHBondContact O-CE2 3.4Å; M70-F313 WeakPolarHBondContact O-CG 3.44Å |
| 71 | A | 97.7 | Very high | 96.1 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -86.7 | 156.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | K67 I69 F77 P314 | K67-A71 PolarHBondContact O-N 2.95Å; I69-A71 VanDerWaalsContact C-N 3.35Å; A71-F77 HydrophobicContact CB-CD2 3.99Å; A71-F77 HydrophobicContact CB-CE2 4.21Å; A71-P314 WeakPolarHBondContact O-CD 3.44Å |
| 72 | F | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 143 | 156.5 | -67.3 | -61.9 | 0 | 0 | 0 | 109.6 | A10 I13 C14 D74 F75 Y94 L95 Y98 F313 | A10-F72 HydrophobicContact CB-CZ 4.25Å; A10-F72 WeakPolarHBondContact O-CZ 3.1Å; I13-F72 HydrophobicContact CD1-CE2 4.48Å; I13-F72 HydrophobicContact CG1-CE2 4.47Å; C14-F72 HydrophobicContact CB-CD1 4.25Å; C14-F72 HydrophobicContact CB-CE1 3.47Å; C14-F72 VanDerWaalsContact CB-CE1 3.47Å; C14-F72 HydrophobicContact CB-CZ 3.8Å; F72-D74 PolarHBondContact O-N 3.3Å; F72-D74 VanDerWaalsContact O-N 3.09Å; F72-F75 CarbonylContact O-C 3.58Å; F72-F75 PolarHBondContact O-N 2.95Å; F72-F75 VanDerWaalsContact O-N 3.07Å; F72-Y94 AromaticContact CD2-CE1 3.86Å; F72-Y94 HydrophobicContact CD2-CE1 3.86Å; F72-Y94 HydrophobicContact CE2-CE1 4.19Å; F72-Y94 PolarHBondContact N-OH 2.89Å; F72-L95 HydrophobicContact CE2-CD2 3.83Å; F72-L95 HydrophobicContact CZ-CD2 4.32Å; F72-Y98 HydrophobicContact CB-CD2 4.48Å; F72-Y98 HydrophobicContact CB-CE2 3.79Å; F72-Y98 HydrophobicContact CD2-CD1 4.05Å; F72-Y98 AromaticContact CD2-CD2 3.66Å; F72-Y98 HydrophobicContact CD2-CD2 3.66Å; F72-Y98 AromaticContact CD2-CE1 3.9Å; F72-Y98 HydrophobicContact CD2-CE1 3.9Å; F72-Y98 AromaticContact CD2-CE2 3.49Å; F72-Y98 HydrophobicContact CD2-CE2 3.49Å; F72-Y98 VanDerWaalsContact CD2-CE2 3.49Å; F72-Y98 AromaticContact CD2-CG 3.9Å; F72-Y98 HydrophobicContact CD2-CG 3.9Å; F72-Y98 AromaticContact CD2-CZ 3.58Å; F72-Y98 AromaticContact CE2-CD1 4Å; F72-Y98 HydrophobicContact CE2-CD1 4Å; F72-Y98 HydrophobicContact CE2-CD2 4.39Å; F72-Y98 AromaticContact CE2-CE1 3.96Å; F72-Y98 HydrophobicContact CE2-CE1 3.96Å; F72-Y98 HydrophobicContact CE2-CE2 4.36Å; F72-Y98 HydrophobicContact CE2-CG 4.18Å; F72-Y98 HydrophobicContact CG-CD2 4.43Å; F72-Y98 AromaticContact CG-CE2 3.87Å; F72-Y98 HydrophobicContact CG-CE2 3.87Å; F72-Y98 AromaticContact CG-CZ 3.9Å; F72-F313 HydrophobicContact CD1-CB 3.68Å; F72-F313 HydrophobicContact CD1-CG 4.29Å; F72-F313 HydrophobicContact CD2-CD2 4.25Å; F72-F313 HydrophobicContact CE1-CB 3.64Å; F72-F313 HydrophobicContact CE1-CD1 4.47Å; F72-F313 HydrophobicContact CE1-CD2 4.37Å; F72-F313 AromaticContact CE1-CG 3.91Å; F72-F313 HydrophobicContact CE1-CG 3.91Å; F72-F313 HydrophobicContact CE2-CD2 4.08Å; F72-F313 HydrophobicContact CE2-CG 4.39Å; F72-F313 HydrophobicContact CG-CB 4.24Å; F72-F313 HydrophobicContact CG-CD2 4.48Å; F72-F313 HydrophobicContact CZ-CB 4.21Å; F72-F313 HydrophobicContact CZ-CD1 4.37Å; F72-F313 HydrophobicContact CZ-CD2 4.13Å; F72-F313 AromaticContact CZ-CG 3.97Å; F72-F313 HydrophobicContact CZ-CG 3.97Å |
| 73 | P | 93.4 | Very high | 95.9 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30 | -173.8 | -28 | 35.9 | 0 | 0 | 0 | 115 | D317 | P73-D317 HydrophobicContact CG-CB 4.3Š|
| 74 | D | 94.3 | Very high | 96 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.3 | -177.4 | 69.4 | -29.8 | 0 | 0 | 0 | 114.4 | R17 F72 Y98 H102 | R17-D74 IonicContact CZ-OD2 3.95Å; R17-D74 IonicContact NE-OD2 2.63Å; R17-D74 PolarHBondContact NE-OD2 3.32Å; R17-D74 IonicContact NH2-OD2 2.97Å; R17-D74 PolarHBondContact NH2-OD2 3.44Å; F72-D74 PolarHBondContact O-N 3.3Å; F72-D74 VanDerWaalsContact O-N 3.09Å; D74-Y98 PolarHBondContact OD1-OH 3.32Å; D74-H102 IonicContact OD2-CE1 3.2Å; D74-H102 PolarHBondContact OD2-CE1 2.95Å; D74-H102 IonicContact OD2-NE2 2.79Å; D74-H102 PolarHBondContact OD2-NE2 2.88Å |
| 75 | F | 97.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -150.6 | 89.4 | -175.8 | -164 | -107.1 | 0 | 0 | 0 | 111.4 | F72 Y94 D97 Y98 Y101 | F72-F75 CarbonylContact O-C 3.58Å; F72-F75 PolarHBondContact O-N 2.95Å; F72-F75 VanDerWaalsContact O-N 3.07Å; F75-Y94 HydrophobicContact CD1-CD2 4.1Å; F75-Y94 AromaticContact CD1-CE2 3.44Å; F75-Y94 HydrophobicContact CD1-CE2 3.44Å; F75-Y94 VanDerWaalsContact CD1-CE2 3.44Å; F75-Y94 AromaticContact CD1-CZ 3.76Å; F75-Y94 HydrophobicContact CE1-CD2 4.17Å; F75-Y94 AromaticContact CE1-CE2 3.97Å; F75-Y94 HydrophobicContact CE1-CE2 3.97Å; F75-Y94 HydrophobicContact CG-CE2 4.49Å; F75-Y94 WeakPolarHBondContact O-CE2 3.21Å; F75-Y94 VanDerWaalsContact O-CZ 3.3Å; F75-Y94 PolarHBondContact O-OH 3.21Å; F75-D97 HydrophobicContact CE1-CB 4.13Å; F75-D97 HydrophobicContact CZ-CB 4.07Å; F75-Y98 HydrophobicContact CB-CD2 3.51Å; F75-Y98 HydrophobicContact CB-CE2 3.7Å; F75-Y98 AromaticContact CD1-CD2 3.6Å; F75-Y98 HydrophobicContact CD1-CD2 3.6Å; F75-Y98 HydrophobicContact CD1-CG 4.3Å; F75-Y98 HydrophobicContact CD2-CD2 4.42Å; F75-Y98 HydrophobicContact CE1-CD2 4.4Å; F75-Y98 AromaticContact CG-CD2 3.61Å; F75-Y98 HydrophobicContact CG-CD2 3.61Å; F75-Y98 HydrophobicContact CG-CE2 4.28Å; F75-Y101 AromaticContact CD2-CD1 3.67Å; F75-Y101 HydrophobicContact CD2-CD1 3.67Å; F75-Y101 HydrophobicContact CD2-CE1 4.08Å; F75-Y101 HydrophobicContact CD2-CG 4.07Å; F75-Y101 AromaticContact CE2-CD1 3.6Å; F75-Y101 HydrophobicContact CE2-CD1 3.6Å; F75-Y101 HydrophobicContact CE2-CD2 4.01Å; F75-Y101 HydrophobicContact CE2-CE1 4.25Å; F75-Y101 AromaticContact CE2-CG 3.48Å; F75-Y101 HydrophobicContact CE2-CG 3.48Å; F75-Y101 VanDerWaalsContact CE2-CG 3.48Å; F75-Y101 HydrophobicContact CZ-CG 4.35Å |
| 76 | P | 96.5 | Very high | 96.2 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 160.9 | 178.5 | 29.6 | -35 | 0 | 0 | 0 | 112.3 | ||
| 77 | F | 97.4 | Very high | 96.2 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -67 | 155.6 | 167.5 | -77.3 | -94.6 | 0 | 0 | 0 | 111.2 | K67 M70 A71 E79 V90 Y94 | K67-F77 HydrophobicContact CB-CB 4.4Å; K67-F77 HydrophobicContact CB-CD1 4.33Å; K67-F77 HydrophobicContact CB-CD2 3.78Å; K67-F77 HydrophobicContact CB-CE2 4.08Å; K67-F77 HydrophobicContact CB-CG 3.92Å; K67-F77 HydrophobicContact CB-CZ 4.48Å; K67-F77 HydrophobicContact CD-CB 3.93Å; K67-F77 HydrophobicContact CD-CG 4.26Å; K67-F77 HydrophobicContact CG-CB 4.3Å; K67-F77 HydrophobicContact CG-CD2 4.46Å; K67-F77 HydrophobicContact CG-CG 4.36Å; K67-F77 WeakPolarHBondContact O-CD2 3.47Å; K67-F77 WeakPolarHBondContact O-CE2 3.22Å; M70-F77 HydrophobicContact CB-CE2 4.22Å; A71-F77 HydrophobicContact CB-CD2 3.99Å; A71-F77 HydrophobicContact CB-CE2 4.21Å; F77-E79 PolarHBondContact O-N 3.1Å; F77-V90 HydrophobicContact CD1-CG1 4.27Å; F77-V90 HydrophobicContact CE1-CG1 4.27Å; F77-Y94 AromaticContact CD1-CD2 3.61Å; F77-Y94 HydrophobicContact CD1-CD2 3.61Å; F77-Y94 HydrophobicContact CD1-CE2 4.38Å; F77-Y94 AromaticContact CD1-CG 3.94Å; F77-Y94 HydrophobicContact CD1-CG 3.94Å; F77-Y94 HydrophobicContact CD2-CD2 4.07Å; F77-Y94 HydrophobicContact CD2-CE2 4.04Å; F77-Y94 VanDerWaalsContact CE1-CB 3.44Å; F77-Y94 HydrophobicContact CE1-CD1 4.2Å; F77-Y94 AromaticContact CE1-CD2 3.64Å; F77-Y94 HydrophobicContact CE1-CD2 3.64Å; F77-Y94 HydrophobicContact CE1-CE2 4.47Å; F77-Y94 AromaticContact CE1-CG 3.48Å; F77-Y94 HydrophobicContact CE1-CG 3.48Å; F77-Y94 VanDerWaalsContact CE1-CG 3.48Å; F77-Y94 HydrophobicContact CE2-CD1 4.47Å; F77-Y94 HydrophobicContact CE2-CD2 4.09Å; F77-Y94 HydrophobicContact CE2-CE2 4.12Å; F77-Y94 HydrophobicContact CE2-CG 4.27Å; F77-Y94 AromaticContact CG-CD2 3.84Å; F77-Y94 HydrophobicContact CG-CD2 3.84Å; F77-Y94 HydrophobicContact CG-CE2 4.17Å; F77-Y94 AromaticContact CZ-CD1 3.93Å; F77-Y94 HydrophobicContact CZ-CD1 3.93Å; F77-Y94 AromaticContact CZ-CD2 3.88Å; F77-Y94 HydrophobicContact CZ-CD2 3.88Å; F77-Y94 HydrophobicContact CZ-CE1 4.41Å; F77-Y94 HydrophobicContact CZ-CE2 4.34Å; F77-Y94 AromaticContact CZ-CG 3.66Å; F77-Y94 HydrophobicContact CZ-CG 3.66Å |
| 78 | D | 94.7 | Very high | 96.2 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 125.4 | 175.4 | -172.4 | -15.1 | 0 | 0 | 0 | 111.2 | K80 I81 | D78-K80 PolarHBondContact O-N 3.46Å; D78-K80 WeakPolarHBondContact OD1-CB 3.47Å; D78-K80 WeakPolarHBondContact OD1-CG 3.4Å; D78-K80 PolarHBondContact OD1-N 2.96Å; D78-I81 HydrophobicContact CB-CD1 4.02Å; D78-I81 HydrophobicContact CB-CG1 4.27Å; D78-I81 WeakPolarHBondContact O-CB 3.28Å; D78-I81 PolarHBondContact O-N 3.05Å; D78-I81 VanDerWaalsContact O-N 3.08Å |
| 79 | E | 92.1 | Very high | 96.2 | Very high | 188 Ų | 188 | 57.5 Ų | 57.5 | 88% | 0.879 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22 | 178.6 | -63.8 | -175.4 | 169.6 | 0 | 0 | 113.1 | F77 I81 | F77-E79 PolarHBondContact O-N 3.1Å; E79-I81 PolarHBondContact O-N 2.92Å |
| 80 | K | 95.2 | Very high | 96.2 | Very high | 182 Ų | 182 | 59.1 Ų | 59.1 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.4 | 175.9 | -64.3 | 171 | -172.5 | 164.7 | 0 | 112.8 | D78 S82 | D78-K80 PolarHBondContact O-N 3.46Å; D78-K80 WeakPolarHBondContact OD1-CB 3.47Å; D78-K80 WeakPolarHBondContact OD1-CG 3.4Å; D78-K80 PolarHBondContact OD1-N 2.96Å; K80-S82 PolarHBondContact O-N 2.8Å; K80-S82 VanDerWaalsContact O-N 3.11Å |
| 81 | I | 95.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | trans | -76 | 100.2 | 175.3 | -58.5 | 163.1 | 0 | 0 | 0 | 108.2 | K67 D78 E79 K83 V86 V90 | K67-I81 HydrophobicContact CD-CB 4.24Å; K67-I81 HydrophobicContact CD-CG2 4.03Å; K67-I81 WeakPolarHBondContact CE-O 3.39Å; K67-I81 PolarHBondContact NZ-O 3.36Å; D78-I81 HydrophobicContact CB-CD1 4.02Å; D78-I81 HydrophobicContact CB-CG1 4.27Å; D78-I81 WeakPolarHBondContact O-CB 3.28Å; D78-I81 PolarHBondContact O-N 3.05Å; D78-I81 VanDerWaalsContact O-N 3.08Å; E79-I81 PolarHBondContact O-N 2.92Å; I81-K83 PolarHBondContact O-N 2.91Å; I81-V86 HydrophobicContact CG2-CG1 3.82Å; I81-V90 HydrophobicContact CD1-CG1 3.68Å | ||
| 82 | S | 92.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | trans | -69.1 | -28.6 | -174.6 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | K80 | K80-S82 PolarHBondContact O-N 2.8Å; K80-S82 VanDerWaalsContact O-N 3.11Å | ||
| 83 | K | 95.8 | Very high | 96.3 | Very high | 148 Ų | 148 | 63.6 Ų | 63.6 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | trans | -80.9 | 141 | 177.4 | -64.5 | -176.2 | 179.4 | -178.5 | 0 | 110.7 | K67 I81 | K67-K83 PolarHBondContact NZ-O 2.79Å; I81-K83 PolarHBondContact O-N 2.91Å | ||
| 84 | S | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -87.7 | -38 | 173.8 | -64.8 | 0 | 0 | 0 | 0 | 112 | P66 K67 E68 T410 V411 | P66-S84 CarbonylContact C-O 3.57Å; P66-S84 WeakPolarHBondContact CA-O 3.31Å; K67-S84 PolarHBondContact N-O 3.34Å; E68-S84 VanDerWaalsContact CD-OG 3.27Å; E68-S84 PolarHBondContact OE1-OG 2.63Å; E68-S84 WeakPolarHBondContact OE2-CB 3.38Å; E68-S84 PolarHBondContact OE2-OG 3.31Å; S84-T410 WeakPolarHBondContact OG-CA 3.39Å; S84-V411 PolarHBondContact OG-N 2.85Å |
| 85 | F | 97.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -90.4 | 115.9 | 170.5 | -59 | -94.3 | 0 | 0 | 0 | 109 | V62 T63 P66 I395 Y406 K407 F409 | V62-F85 HydrophobicContact CG1-CB 3.76Å; T63-F85 WeakPolarHBondContact O-CD1 3.18Å; P66-F85 HydrophobicContact CB-CE2 4.44Å; P66-F85 HydrophobicContact CB-CZ 4.31Å; P66-F85 HydrophobicContact CG-CZ 4.42Å; F85-I395 HydrophobicContact CE1-CG2 4.37Å; F85-I395 HydrophobicContact CZ-CD1 4.08Å; F85-I395 HydrophobicContact CZ-CG2 4.26Å; F85-Y406 HydrophobicContact CD1-CE2 4.32Å; F85-Y406 AromaticContact CE1-CD2 3.96Å; F85-Y406 HydrophobicContact CE1-CD2 3.96Å; F85-Y406 AromaticContact CE1-CE2 3.67Å; F85-Y406 HydrophobicContact CE1-CE2 3.67Å; F85-Y406 VanDerWaalsContact CE2-O 3.25Å; F85-Y406 WeakPolarHBondContact CE2-O 3.24Å; F85-Y406 AromaticContact CZ-CD2 3.94Å; F85-Y406 HydrophobicContact CZ-CD2 3.94Å; F85-Y406 HydrophobicContact CZ-CE2 4.14Å; F85-K407 HydrophobicContact CB-CB 4Å; F85-K407 HydrophobicContact CB-CG 4.34Å; F85-K407 HydrophobicContact CD1-CB 4.43Å; F85-K407 HydrophobicContact CD1-CG 4.09Å; F85-K407 HydrophobicContact CD2-CB 4.36Å; F85-K407 VanDerWaalsContact CD2-O 3.31Å; F85-K407 WeakPolarHBondContact CD2-O 3.04Å; F85-K407 HydrophobicContact CG-CB 4.02Å; F85-K407 HydrophobicContact CG-CG 4.18Å; F85-F409 WeakPolarHBondContact CD2-O 3.42Å; F85-F409 HydrophobicContact CE2-CB 4.42Å |
| 86 | V | 97.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | trans | -113.3 | 155.4 | -166.8 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | V62 T63 K67 I81 V90 V91 | V62-V86 CarbonylContact C-O 3.53Å; V62-V86 WeakPolarHBondContact CA-O 3.18Å; T63-V86 HydrophobicContact CG2-CG2 3.92Å; T63-V86 WeakPolarHBondContact CG2-O 3.36Å; T63-V86 PolarHBondContact N-O 2.81Å; T63-V86 PolarHBondContact OG1-N 3.03Å; T63-V86 VanDerWaalsContact OG1-N 3.12Å; K67-V86 HydrophobicContact CB-CG1 4.22Å; K67-V86 HydrophobicContact CB-CG2 4.41Å; K67-V86 HydrophobicContact CD-CG1 4Å; I81-V86 HydrophobicContact CG2-CG1 3.82Å; V86-V90 HydrophobicContact CB-CB 3.89Å; V86-V90 HydrophobicContact CB-CG1 3.93Å; V86-V90 HydrophobicContact CB-CG2 4.2Å; V86-V90 HydrophobicContact CG1-CG1 4.16Å; V86-V90 HydrophobicContact CG2-CB 4.09Å; V86-V90 HydrophobicContact CG2-CG1 4.03Å; V86-V91 HydrophobicContact CG2-CG2 3.82Å | ||
| 87 | G | 97.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 158.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L61 E89 V90 V91 | L61-G87 WeakPolarHBondContact O-CA 3.29Å; G87-E89 VanDerWaalsContact CA-OE2 3.25Å; G87-E89 WeakPolarHBondContact CA-OE2 3.45Å; G87-E89 PolarHBondContact O-N 3.4Å; G87-V90 WeakPolarHBondContact O-CB 3.48Å; G87-V90 PolarHBondContact O-N 2.8Å; G87-V90 VanDerWaalsContact O-N 3.13Å; G87-V91 PolarHBondContact O-N 2.94Å |
| 88 | H | 97.1 | Very high | 97 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.069 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -29.6 | 178.8 | 73.6 | 76.6 | 0 | 0 | 0 | 112.8 | W40 Y42 M57 K59 L61 V91 A92 | W40-H88 HydrophobicContact CE3-CB 4.05Å; W40-H88 HydrophobicContact CZ3-CB 4.36Å; Y42-H88 WeakPolarHBondContact CB-CE1 3.29Å; Y42-H88 AromaticContact CG-CE1 3.84Å; M57-H88 HydrophobicContact CE-CB 4.35Å; M57-H88 HydrophobicContact CG-CB 3.66Å; M57-H88 HydrophobicContact SD-CB 3.88Å; K59-H88 PolarHBondContact O-CD2 3.45Å; K59-H88 VanDerWaalsContact O-CD2 3.3Å; K59-H88 PolarHBondContact O-NE2 3.34Å; K59-H88 VanDerWaalsContact O-NE2 3.15Å; L61-H88 HydrophobicContact CB-CB 4.37Å; L61-H88 HydrophobicContact CD2-CB 4.06Å; L61-H88 PolarHBondContact O-N 2.84Å; H88-V91 PolarHBondContact O-N 3.46Å; H88-A92 WeakPolarHBondContact O-CB 3.28Å; H88-A92 PolarHBondContact O-N 3.28Å |
| 89 | E | 97.6 | Very high | 97.2 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 178.8 | 71 | -72.8 | 176.7 | 0 | 0 | 112.1 | G87 A92 Q93 | G87-E89 VanDerWaalsContact CA-OE2 3.25Å; G87-E89 WeakPolarHBondContact CA-OE2 3.45Å; G87-E89 PolarHBondContact O-N 3.4Å; E89-A92 PolarHBondContact O-N 3.16Å; E89-Q93 WeakPolarHBondContact O-CB 3.44Å; E89-Q93 PolarHBondContact O-N 3.14Å |
| 90 | V | 98.2 | Very high | 97.5 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | F77 I81 V86 G87 Q93 Y94 | F77-V90 HydrophobicContact CD1-CG1 4.27Å; F77-V90 HydrophobicContact CE1-CG1 4.27Å; I81-V90 HydrophobicContact CD1-CG1 3.68Å; V86-V90 HydrophobicContact CB-CB 3.89Å; V86-V90 HydrophobicContact CB-CG1 3.93Å; V86-V90 HydrophobicContact CB-CG2 4.2Å; V86-V90 HydrophobicContact CG1-CG1 4.16Å; V86-V90 HydrophobicContact CG2-CB 4.09Å; V86-V90 HydrophobicContact CG2-CG1 4.03Å; G87-V90 WeakPolarHBondContact O-CB 3.48Å; G87-V90 PolarHBondContact O-N 2.8Å; G87-V90 VanDerWaalsContact O-N 3.13Å; V90-Q93 PolarHBondContact O-N 3.25Å; V90-Y94 WeakPolarHBondContact O-CB 3.31Å; V90-Y94 PolarHBondContact O-N 2.79Å |
| 91 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.6 | -39.7 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | W40 T63 V86 G87 H88 Y94 L95 F313 | W40-V91 HydrophobicContact CD2-CB 3.78Å; W40-V91 HydrophobicContact CD2-CG1 3.4Å; W40-V91 VanDerWaalsContact CD2-CG1 3.4Å; W40-V91 HydrophobicContact CE3-CB 3.53Å; W40-V91 HydrophobicContact CE3-CG1 3.69Å; W40-V91 HydrophobicContact CE3-CG2 3.97Å; W40-V91 HydrophobicContact CG-CB 4.33Å; W40-V91 HydrophobicContact CG-CG1 3.82Å; W40-V91 HydrophobicContact CH2-CB 4.4Å; W40-V91 HydrophobicContact CH2-CG1 4.17Å; W40-V91 HydrophobicContact CH2-CG2 4.13Å; W40-V91 HydrophobicContact CZ2-CG1 3.91Å; W40-V91 HydrophobicContact CZ3-CB 3.87Å; W40-V91 HydrophobicContact CZ3-CG1 4.06Å; W40-V91 HydrophobicContact CZ3-CG2 3.75Å; T63-V91 HydrophobicContact CG2-CG2 3.7Å; V86-V91 HydrophobicContact CG2-CG2 3.82Å; G87-V91 PolarHBondContact O-N 2.94Å; H88-V91 PolarHBondContact O-N 3.46Å; V91-Y94 WeakPolarHBondContact O-CB 3.25Å; V91-Y94 PolarHBondContact O-N 2.72Å; V91-L95 HydrophobicContact CG1-CD1 4.43Å; V91-L95 WeakPolarHBondContact O-CG 3.4Å; V91-L95 PolarHBondContact O-N 2.86Å; V91-F313 HydrophobicContact CG1-CE2 4.35Å; V91-F313 HydrophobicContact CG1-CZ 3.89Å |
| 92 | A | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 13% | 0.132 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W40 H88 E89 L95 Q96 | W40-A92 HydrophobicContact CB-CB 4.15Å; H88-A92 WeakPolarHBondContact O-CB 3.28Å; H88-A92 PolarHBondContact O-N 3.28Å; E89-A92 PolarHBondContact O-N 3.16Å; A92-L95 PolarHBondContact O-N 3.12Å; A92-Q96 PolarHBondContact O-N 2.97Å; A92-Q96 VanDerWaalsContact O-N 3.1Å |
| 93 | Q | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 44 Ų | 44 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.1 | -171.3 | 59.9 | 52 | 0 | 0 | 111.4 | E89 V90 L95 Q96 D97 | E89-Q93 WeakPolarHBondContact O-CB 3.44Å; E89-Q93 PolarHBondContact O-N 3.14Å; V90-Q93 PolarHBondContact O-N 3.25Å; Q93-L95 VanDerWaalsContact C-N 3.28Å; Q93-L95 PolarHBondContact O-N 2.82Å; Q93-Q96 CarbonylContact O-C 3.49Å; Q93-Q96 WeakPolarHBondContact O-CA 3.43Å; Q93-Q96 WeakPolarHBondContact O-CB 3.43Å; Q93-Q96 PolarHBondContact O-N 3.04Å; Q93-D97 PolarHBondContact NE2-OD1 3.43Å; Q93-D97 PolarHBondContact O-N 3.22Å |
| 94 | Y | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.2 | -43.2 | 174.5 | 169.4 | -89.3 | 0 | 0 | 0 | 112.6 | F72 F75 F77 V90 V91 Q96 D97 Y98 F313 | F72-Y94 AromaticContact CD2-CE1 3.86Å; F72-Y94 HydrophobicContact CD2-CE1 3.86Å; F72-Y94 HydrophobicContact CE2-CE1 4.19Å; F72-Y94 PolarHBondContact N-OH 2.89Å; F75-Y94 HydrophobicContact CD1-CD2 4.1Å; F75-Y94 AromaticContact CD1-CE2 3.44Å; F75-Y94 HydrophobicContact CD1-CE2 3.44Å; F75-Y94 VanDerWaalsContact CD1-CE2 3.44Å; F75-Y94 AromaticContact CD1-CZ 3.76Å; F75-Y94 HydrophobicContact CE1-CD2 4.17Å; F75-Y94 AromaticContact CE1-CE2 3.97Å; F75-Y94 HydrophobicContact CE1-CE2 3.97Å; F75-Y94 HydrophobicContact CG-CE2 4.49Å; F75-Y94 WeakPolarHBondContact O-CE2 3.21Å; F75-Y94 VanDerWaalsContact O-CZ 3.3Å; F75-Y94 PolarHBondContact O-OH 3.21Å; F77-Y94 AromaticContact CD1-CD2 3.61Å; F77-Y94 HydrophobicContact CD1-CD2 3.61Å; F77-Y94 HydrophobicContact CD1-CE2 4.38Å; F77-Y94 AromaticContact CD1-CG 3.94Å; F77-Y94 HydrophobicContact CD1-CG 3.94Å; F77-Y94 HydrophobicContact CD2-CD2 4.07Å; F77-Y94 HydrophobicContact CD2-CE2 4.04Å; F77-Y94 VanDerWaalsContact CE1-CB 3.44Å; F77-Y94 HydrophobicContact CE1-CD1 4.2Å; F77-Y94 AromaticContact CE1-CD2 3.64Å; F77-Y94 HydrophobicContact CE1-CD2 3.64Å; F77-Y94 HydrophobicContact CE1-CE2 4.47Å; F77-Y94 AromaticContact CE1-CG 3.48Å; F77-Y94 HydrophobicContact CE1-CG 3.48Å; F77-Y94 VanDerWaalsContact CE1-CG 3.48Å; F77-Y94 HydrophobicContact CE2-CD1 4.47Å; F77-Y94 HydrophobicContact CE2-CD2 4.09Å; F77-Y94 HydrophobicContact CE2-CE2 4.12Å; F77-Y94 HydrophobicContact CE2-CG 4.27Å; F77-Y94 AromaticContact CG-CD2 3.84Å; F77-Y94 HydrophobicContact CG-CD2 3.84Å; F77-Y94 HydrophobicContact CG-CE2 4.17Å; F77-Y94 AromaticContact CZ-CD1 3.93Å; F77-Y94 HydrophobicContact CZ-CD1 3.93Å; F77-Y94 AromaticContact CZ-CD2 3.88Å; F77-Y94 HydrophobicContact CZ-CD2 3.88Å; F77-Y94 HydrophobicContact CZ-CE1 4.41Å; F77-Y94 HydrophobicContact CZ-CE2 4.34Å; F77-Y94 AromaticContact CZ-CG 3.66Å; F77-Y94 HydrophobicContact CZ-CG 3.66Å; V90-Y94 WeakPolarHBondContact O-CB 3.31Å; V90-Y94 PolarHBondContact O-N 2.79Å; V91-Y94 WeakPolarHBondContact O-CB 3.25Å; V91-Y94 PolarHBondContact O-N 2.72Å; Y94-Q96 VanDerWaalsContact C-N 3.35Å; Y94-D97 PolarHBondContact O-N 3.44Å; Y94-Y98 VanDerWaalsContact O-CB 3.31Å; Y94-Y98 WeakPolarHBondContact O-CB 3.28Å; Y94-Y98 PolarHBondContact O-N 2.95Å; Y94-F313 AromaticContact CD1-CE2 3.89Å; Y94-F313 HydrophobicContact CD1-CE2 3.89Å; Y94-F313 AromaticContact CE1-CD2 3.82Å; Y94-F313 HydrophobicContact CE1-CD2 3.82Å; Y94-F313 AromaticContact CE1-CE2 3.64Å; Y94-F313 HydrophobicContact CE1-CE2 3.64Å |
| 95 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.5 | -33.2 | 178.4 | -66.2 | 172.6 | 0 | 0 | 0 | 112.4 | A10 I13 W40 F72 V91 A92 Q93 A99 F313 | A10-L95 HydrophobicContact CB-CD1 4.18Å; A10-L95 HydrophobicContact CB-CD2 3.83Å; I13-L95 HydrophobicContact CD1-CB 3.99Å; I13-L95 HydrophobicContact CD1-CD2 3.77Å; I13-L95 HydrophobicContact CD1-CG 4.46Å; I13-L95 WeakPolarHBondContact CD1-O 3.41Å; W40-L95 HydrophobicContact CB-CD1 4.22Å; W40-L95 VanDerWaalsContact CD1-CD1 3.43Å; W40-L95 HydrophobicContact CG-CD1 4Å; F72-L95 HydrophobicContact CE2-CD2 3.83Å; F72-L95 HydrophobicContact CZ-CD2 4.32Å; V91-L95 HydrophobicContact CG1-CD1 4.43Å; V91-L95 WeakPolarHBondContact O-CG 3.4Å; V91-L95 PolarHBondContact O-N 2.86Å; A92-L95 PolarHBondContact O-N 3.12Å; Q93-L95 VanDerWaalsContact C-N 3.28Å; Q93-L95 PolarHBondContact O-N 2.82Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 3.39Å; L95-A99 VanDerWaalsContact O-N 3.15Å; L95-F313 HydrophobicContact CD1-CZ 4.38Å; L95-F313 HydrophobicContact CD2-CE2 3.89Å; L95-F313 HydrophobicContact CD2-CZ 3.85Å; L95-F313 HydrophobicContact CG-CZ 4.39Å |
| 96 | Q | 98.5 | Very high | 98.2 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -50.2 | 171.8 | -177.6 | 61.1 | 57.3 | 0 | 0 | 110.6 | V36 A92 Q93 Y94 Y98 A99 D100 | V36-Q96 HydrophobicContact CG2-CB 4.43Å; A92-Q96 PolarHBondContact O-N 2.97Å; A92-Q96 VanDerWaalsContact O-N 3.1Å; Q93-Q96 CarbonylContact O-C 3.49Å; Q93-Q96 WeakPolarHBondContact O-CA 3.43Å; Q93-Q96 WeakPolarHBondContact O-CB 3.43Å; Q93-Q96 PolarHBondContact O-N 3.04Å; Y94-Q96 VanDerWaalsContact C-N 3.35Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.28Å; Q96-A99 WeakPolarHBondContact O-CB 3.45Å; Q96-A99 PolarHBondContact O-N 3.34Å; Q96-D100 VanDerWaalsContact NE2-CG 3.35Å; Q96-D100 PolarHBondContact NE2-OD1 2.98Å; Q96-D100 PolarHBondContact NE2-OD2 3.07Å; Q96-D100 PolarHBondContact O-N 2.92Å |
| 97 | D | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.9 | -64.3 | -18.6 | 0 | 0 | 0 | 111.5 | F75 Q93 Y94 D100 Y101 | F75-D97 HydrophobicContact CE1-CB 4.13Å; F75-D97 HydrophobicContact CZ-CB 4.07Å; Q93-D97 PolarHBondContact NE2-OD1 3.43Å; Q93-D97 PolarHBondContact O-N 3.22Å; Y94-D97 PolarHBondContact O-N 3.44Å; D97-D100 PolarHBondContact O-N 2.73Å; D97-Y101 WeakPolarHBondContact O-CB 3.48Å; D97-Y101 PolarHBondContact O-N 2.87Å |
| 98 | Y | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 173.9 | -176.6 | -98 | 0 | 0 | 0 | 112.1 | I13 R17 F72 D74 F75 Y94 Q96 D100 H102 L104 | I13-Y98 HydrophobicContact CD1-CD1 3.82Å; I13-Y98 HydrophobicContact CG1-CD1 4.04Å; I13-Y98 HydrophobicContact CG1-CE1 4.3Å; R17-Y98 HydrophobicContact CB-CE1 4.04Å; R17-Y98 WeakPolarHBondContact CB-OH 3.26Å; R17-Y98 HydrophobicContact CG-CE1 4.46Å; R17-Y98 WeakPolarHBondContact CG-OH 3.45Å; F72-Y98 HydrophobicContact CB-CD2 4.48Å; F72-Y98 HydrophobicContact CB-CE2 3.79Å; F72-Y98 HydrophobicContact CD2-CD1 4.05Å; F72-Y98 AromaticContact CD2-CD2 3.66Å; F72-Y98 HydrophobicContact CD2-CD2 3.66Å; F72-Y98 AromaticContact CD2-CE1 3.9Å; F72-Y98 HydrophobicContact CD2-CE1 3.9Å; F72-Y98 AromaticContact CD2-CE2 3.49Å; F72-Y98 HydrophobicContact CD2-CE2 3.49Å; F72-Y98 VanDerWaalsContact CD2-CE2 3.49Å; F72-Y98 AromaticContact CD2-CG 3.9Å; F72-Y98 HydrophobicContact CD2-CG 3.9Å; F72-Y98 AromaticContact CD2-CZ 3.58Å; F72-Y98 AromaticContact CE2-CD1 4Å; F72-Y98 HydrophobicContact CE2-CD1 4Å; F72-Y98 HydrophobicContact CE2-CD2 4.39Å; F72-Y98 AromaticContact CE2-CE1 3.96Å; F72-Y98 HydrophobicContact CE2-CE1 3.96Å; F72-Y98 HydrophobicContact CE2-CE2 4.36Å; F72-Y98 HydrophobicContact CE2-CG 4.18Å; F72-Y98 HydrophobicContact CG-CD2 4.43Å; F72-Y98 AromaticContact CG-CE2 3.87Å; F72-Y98 HydrophobicContact CG-CE2 3.87Å; F72-Y98 AromaticContact CG-CZ 3.9Å; D74-Y98 PolarHBondContact OD1-OH 3.32Å; F75-Y98 HydrophobicContact CB-CD2 3.51Å; F75-Y98 HydrophobicContact CB-CE2 3.7Å; F75-Y98 AromaticContact CD1-CD2 3.6Å; F75-Y98 HydrophobicContact CD1-CD2 3.6Å; F75-Y98 HydrophobicContact CD1-CG 4.3Å; F75-Y98 HydrophobicContact CD2-CD2 4.42Å; F75-Y98 HydrophobicContact CE1-CD2 4.4Å; F75-Y98 AromaticContact CG-CD2 3.61Å; F75-Y98 HydrophobicContact CG-CD2 3.61Å; F75-Y98 HydrophobicContact CG-CE2 4.28Å; Y94-Y98 VanDerWaalsContact O-CB 3.31Å; Y94-Y98 WeakPolarHBondContact O-CB 3.28Å; Y94-Y98 PolarHBondContact O-N 2.95Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.28Å; Y98-D100 VanDerWaalsContact C-N 3.32Å; Y98-D100 PolarHBondContact O-N 3.3Å; Y98-H102 AromaticContact CD2-CD2 3.55Å; Y98-H102 AromaticContact CD2-NE2 3.76Å; Y98-H102 AromaticContact CE1-CD2 3.99Å; Y98-H102 AromaticContact CE2-CD2 3.36Å; Y98-H102 WeakPolarHBondContact CE2-CD2 3.43Å; Y98-H102 AromaticContact CE2-NE2 3.34Å; Y98-H102 VanDerWaalsContact CE2-NE2 3.34Å; Y98-H102 WeakPolarHBondContact CE2-NE2 3.32Å; Y98-H102 AromaticContact CG-CD2 3.98Å; Y98-H102 AromaticContact CZ-CD2 3.63Å; Y98-H102 AromaticContact CZ-NE2 3.9Å; Y98-H102 WeakPolarHBondContact O-CB 3.43Å; Y98-H102 PolarHBondContact O-CD2 2.99Å; Y98-H102 PolarHBondContact O-N 3.42Å; Y98-H102 VanDerWaalsContact O-N 3.09Å; Y98-L104 HydrophobicContact CD1-CD1 4.11Å; Y98-L104 HydrophobicContact CE1-CD1 4.06Å |
| 99 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V36 L95 Q96 N103 L104 L105 | V36-A99 HydrophobicContact CG1-CB 4.26Å; V36-A99 HydrophobicContact CG2-CB 4.06Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 3.39Å; L95-A99 VanDerWaalsContact O-N 3.15Å; Q96-A99 WeakPolarHBondContact O-CB 3.45Å; Q96-A99 PolarHBondContact O-N 3.34Å; A99-N103 PolarHBondContact O-N 2.83Å; A99-N103 VanDerWaalsContact O-N 3.11Å; A99-L104 HydrophobicContact CB-CB 4.32Å; A99-L104 HydrophobicContact CB-CD1 4.49Å; A99-L104 PolarHBondContact O-N 3.03Å; A99-L105 HydrophobicContact CB-CD2 4.18Å |
| 100 | D | 98.4 | Very high | 98.5 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.7 | -48.6 | 178.4 | -67.7 | -28.9 | 0 | 0 | 0 | 111.7 | Q96 D97 Y98 H102 N103 L105 | Q96-D100 VanDerWaalsContact NE2-CG 3.35Å; Q96-D100 PolarHBondContact NE2-OD1 2.98Å; Q96-D100 PolarHBondContact NE2-OD2 3.07Å; Q96-D100 PolarHBondContact O-N 2.92Å; D97-D100 PolarHBondContact O-N 2.73Å; Y98-D100 VanDerWaalsContact C-N 3.32Å; Y98-D100 PolarHBondContact O-N 3.3Å; D100-H102 VanDerWaalsContact C-N 3.27Å; D100-H102 PolarHBondContact O-N 2.76Å; D100-N103 PolarHBondContact O-N 2.92Å; D100-L105 VanDerWaalsContact OD1-CD1 3.22Å; D100-L105 WeakPolarHBondContact OD1-CD1 3.29Å |
| 101 | Y | 98.3 | Very high | 98.4 | Very high | 165 Ų | 165 | 48.4 Ų | 48.4 | 65% | 0.647 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -56 | -42.6 | 178.5 | 179.1 | -101.8 | 0 | 0 | 0 | 111.8 | F75 D97 N103 | F75-Y101 AromaticContact CD2-CD1 3.67Å; F75-Y101 HydrophobicContact CD2-CD1 3.67Å; F75-Y101 HydrophobicContact CD2-CE1 4.08Å; F75-Y101 HydrophobicContact CD2-CG 4.07Å; F75-Y101 AromaticContact CE2-CD1 3.6Å; F75-Y101 HydrophobicContact CE2-CD1 3.6Å; F75-Y101 HydrophobicContact CE2-CD2 4.01Å; F75-Y101 HydrophobicContact CE2-CE1 4.25Å; F75-Y101 AromaticContact CE2-CG 3.48Å; F75-Y101 HydrophobicContact CE2-CG 3.48Å; F75-Y101 VanDerWaalsContact CE2-CG 3.48Å; F75-Y101 HydrophobicContact CZ-CG 4.35Å; D97-Y101 WeakPolarHBondContact O-CB 3.48Å; D97-Y101 PolarHBondContact O-N 2.87Å; Y101-N103 VanDerWaalsContact C-N 3.35Å |
| 102 | H | 98.3 | Very high | 98.4 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7 | 176.9 | -64.4 | -59.1 | 0 | 0 | 0 | 113.9 | R17 K20 D74 Y98 D100 L104 | R17-H102 VanDerWaalsContact CD-CD2 3.49Å; R17-H102 WeakPolarHBondContact CD-CD2 3.45Å; R17-H102 PolarHBondContact NE-CE1 2.93Å; R17-H102 PolarHBondContact NE-ND1 2.72Å; R17-H102 PolarHBondContact NE-NE2 2.56Å; K20-H102 PolarHBondContact NZ-O 3.04Å; D74-H102 IonicContact OD2-CE1 3.2Å; D74-H102 PolarHBondContact OD2-CE1 2.95Å; D74-H102 IonicContact OD2-NE2 2.79Å; D74-H102 PolarHBondContact OD2-NE2 2.88Å; Y98-H102 AromaticContact CD2-CD2 3.55Å; Y98-H102 AromaticContact CD2-NE2 3.76Å; Y98-H102 AromaticContact CE1-CD2 3.99Å; Y98-H102 AromaticContact CE2-CD2 3.36Å; Y98-H102 WeakPolarHBondContact CE2-CD2 3.43Å; Y98-H102 AromaticContact CE2-NE2 3.34Å; Y98-H102 VanDerWaalsContact CE2-NE2 3.34Å; Y98-H102 WeakPolarHBondContact CE2-NE2 3.32Å; Y98-H102 AromaticContact CG-CD2 3.98Å; Y98-H102 AromaticContact CZ-CD2 3.63Å; Y98-H102 AromaticContact CZ-NE2 3.9Å; Y98-H102 WeakPolarHBondContact O-CB 3.43Å; Y98-H102 PolarHBondContact O-CD2 2.99Å; Y98-H102 PolarHBondContact O-N 3.42Å; Y98-H102 VanDerWaalsContact O-N 3.09Å; D100-H102 VanDerWaalsContact C-N 3.27Å; D100-H102 PolarHBondContact O-N 2.76Å; H102-L104 HydrophobicContact CB-CD1 4.31Å; H102-L104 HydrophobicContact CB-CD2 3.77Å; H102-L104 HydrophobicContact CB-CG 3.84Å; H102-L104 WeakPolarHBondContact O-CD2 3.4Å; H102-L104 PolarHBondContact O-N 3Å |
| 103 | N | 98.2 | Very high | 98.4 | Very high | 96 Ų | 96 | 51 Ų | 51 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 57.6 | 179.9 | -172.8 | 26 | 0 | 0 | 0 | 112.2 | A99 D100 Y101 P106 | A99-N103 PolarHBondContact O-N 2.83Å; A99-N103 VanDerWaalsContact O-N 3.11Å; D100-N103 PolarHBondContact O-N 2.92Å; Y101-N103 VanDerWaalsContact C-N 3.35Å; N103-P106 VanDerWaalsContact OD1-CD 3.28Å; N103-P106 WeakPolarHBondContact OD1-CD 3.47Å; N103-P106 WeakPolarHBondContact OD1-CG 3.42Å |
| 104 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -91.6 | -24.6 | -177.6 | -54.3 | -174.2 | 0 | 0 | 0 | 112.2 | I13 C16 R17 K20 Y98 A99 H102 P106 Y107 | I13-L104 HydrophobicContact CB-CD1 3.93Å; I13-L104 WeakPolarHBondContact O-CD1 3.48Å; C16-L104 HydrophobicContact CB-CD1 4.44Å; C16-L104 HydrophobicContact CB-CD2 4.4Å; R17-L104 HydrophobicContact CB-CD1 4.42Å; K20-L104 HydrophobicContact CD-CD2 3.49Å; K20-L104 VanDerWaalsContact CD-CD2 3.49Å; K20-L104 HydrophobicContact CG-CD2 4.47Å; Y98-L104 HydrophobicContact CD1-CD1 4.11Å; Y98-L104 HydrophobicContact CE1-CD1 4.06Å; A99-L104 HydrophobicContact CB-CB 4.32Å; A99-L104 HydrophobicContact CB-CD1 4.49Å; A99-L104 PolarHBondContact O-N 3.03Å; H102-L104 HydrophobicContact CB-CD1 4.31Å; H102-L104 HydrophobicContact CB-CD2 3.77Å; H102-L104 HydrophobicContact CB-CG 3.84Å; H102-L104 WeakPolarHBondContact O-CD2 3.4Å; H102-L104 PolarHBondContact O-N 3Å; L104-P106 VanDerWaalsContact C-N 3.32Å; L104-Y107 WeakPolarHBondContact O-CB 3.05Å; L104-Y107 WeakPolarHBondContact O-CD2 3.38Å; L104-Y107 PolarHBondContact O-N 3.49Å | ||
| 105 | L | 98.5 | Very high | 98.4 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -52.8 | -38.3 | -177.2 | -58.1 | -172.4 | 0 | 0 | 0 | 114.6 | V36 A99 D100 Y107 I108 F110 | V36-L105 HydrophobicContact CG1-CD2 3.97Å; A99-L105 HydrophobicContact CB-CD2 4.18Å; D100-L105 VanDerWaalsContact OD1-CD1 3.22Å; D100-L105 WeakPolarHBondContact OD1-CD1 3.29Å; L105-Y107 PolarHBondContact O-N 2.73Å; L105-Y107 VanDerWaalsContact O-N 3.09Å; L105-I108 HydrophobicContact CD2-CD1 4.28Å; L105-I108 PolarHBondContact O-N 2.98Å; L105-F110 HydrophobicContact CD2-CE2 4.48Å; L105-F110 HydrophobicContact CD2-CZ 4.25Å |
| 106 | P | 98.3 | Very high | 98.4 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 62% | 0.623 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -62 | -17.7 | 177.6 | -25.6 | 36.5 | 0 | 0 | 0 | 115 | N103 L104 | N103-P106 VanDerWaalsContact OD1-CD 3.28Å; N103-P106 WeakPolarHBondContact OD1-CD 3.47Å; N103-P106 WeakPolarHBondContact OD1-CG 3.42Å; L104-P106 VanDerWaalsContact C-N 3.32Å |
| 107 | Y | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -89.2 | -7.7 | 178.5 | -59.7 | -95.1 | 0 | 0 | 0 | 112.5 | K20 V27 I29 L104 L105 | K20-Y107 HydrophobicContact CB-CE1 4.16Å; K20-Y107 HydrophobicContact CB-CE2 4.4Å; K20-Y107 HydrophobicContact CD-CE2 4.34Å; V27-Y107 HydrophobicContact CB-CD1 4.08Å; I29-Y107 PolarHBondContact N-O 3.47Å; L104-Y107 WeakPolarHBondContact O-CB 3.05Å; L104-Y107 WeakPolarHBondContact O-CD2 3.38Å; L104-Y107 PolarHBondContact O-N 3.49Å; L105-Y107 PolarHBondContact O-N 2.73Å; L105-Y107 VanDerWaalsContact O-N 3.09Å |
| 108 | I | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.7 | -169.3 | -50.1 | 176.2 | 0 | 0 | 0 | 110.5 | A8 I13 I29 E31 V36 L105 F110 | A8-I108 HydrophobicContact CB-CD1 4.09Å; A8-I108 HydrophobicContact CB-CG2 3.99Å; I13-I108 HydrophobicContact CG2-CD1 4.5Å; I29-I108 HydrophobicContact CB-CB 4.46Å; I29-I108 HydrophobicContact CB-CG1 4.15Å; I29-I108 HydrophobicContact CB-CG2 4.39Å; I29-I108 HydrophobicContact CD1-CD1 4.36Å; I29-I108 HydrophobicContact CD1-CG1 3.83Å; I29-I108 HydrophobicContact CG1-CG1 4.23Å; E31-I108 HydrophobicContact CB-CG2 3.96Å; V36-I108 HydrophobicContact CG1-CD1 3.5Å; V36-I108 VanDerWaalsContact CG1-CD1 3.5Å; L105-I108 HydrophobicContact CD2-CD1 4.28Å; L105-I108 PolarHBondContact O-N 2.98Å; I108-F110 HydrophobicContact CB-CE2 4.12Å; I108-F110 HydrophobicContact CB-CZ 4.06Å; I108-F110 HydrophobicContact CD1-CZ 4.2Å; I108-F110 HydrophobicContact CG2-CD1 3.89Å; I108-F110 HydrophobicContact CG2-CD2 4.22Å; I108-F110 HydrophobicContact CG2-CE1 3.58Å; I108-F110 HydrophobicContact CG2-CE2 3.96Å; I108-F110 HydrophobicContact CG2-CG 4.19Å; I108-F110 HydrophobicContact CG2-CZ 3.63Å |
| 109 | K | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 97.1 | 166.7 | -68.2 | 179.7 | 174.3 | -172.6 | 0 | 108.4 | V28 I29 Y30 E31 H112 E146 | V28-K109 HydrophobicContact CG1-CD 3.91Å; V28-K109 HydrophobicContact CG1-CG 4.34Å; I29-K109 PolarHBondContact O-N 3.44Å; Y30-K109 HydrophobicContact CD1-CB 3.96Å; Y30-K109 HydrophobicContact CD1-CD 4.03Å; Y30-K109 HydrophobicContact CE1-CB 4.27Å; Y30-K109 HydrophobicContact CE1-CD 3.46Å; Y30-K109 VanDerWaalsContact CE1-CD 3.46Å; Y30-K109 HydrophobicContact CE1-CG 4.44Å; E31-K109 PolarHBondContact N-O 3.48Å; K109-H112 HydrophobicContact CB-CB 4.37Å; K109-E146 IonicContact NZ-OE1 2.56Å; K109-E146 PolarHBondContact NZ-OE1 3.21Å |
| 110 | F | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 23% | 0.232 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 159.1 | 174.2 | -67.4 | -68.6 | 0 | 0 | 0 | 112.5 | E31 L33 K35 V36 L105 I108 H112 | E31-F110 HydrophobicContact CB-CD1 3.85Å; E31-F110 HydrophobicContact CB-CE1 4.21Å; E31-F110 HydrophobicContact CG-CD1 3.73Å; E31-F110 HydrophobicContact CG-CE1 4.02Å; E31-F110 CarbonylContact O-C 3.6Å; E31-F110 VanDerWaalsContact O-C 3.31Å; E31-F110 WeakPolarHBondContact O-CA 3.32Å; L33-F110 WeakPolarHBondContact O-CB 3.25Å; L33-F110 WeakPolarHBondContact O-CD1 3.42Å; K35-F110 VanDerWaalsContact CA-CE1 3.43Å; V36-F110 HydrophobicContact CG1-CE1 4.05Å; V36-F110 HydrophobicContact CG1-CZ 3.79Å; L105-F110 HydrophobicContact CD2-CE2 4.48Å; L105-F110 HydrophobicContact CD2-CZ 4.25Å; I108-F110 HydrophobicContact CB-CE2 4.12Å; I108-F110 HydrophobicContact CB-CZ 4.06Å; I108-F110 HydrophobicContact CD1-CZ 4.2Å; I108-F110 HydrophobicContact CG2-CD1 3.89Å; I108-F110 HydrophobicContact CG2-CD2 4.22Å; I108-F110 HydrophobicContact CG2-CE1 3.58Å; I108-F110 HydrophobicContact CG2-CE2 3.96Å; I108-F110 HydrophobicContact CG2-CG 4.19Å; I108-F110 HydrophobicContact CG2-CZ 3.63Å; F110-H112 PolarHBondContact O-N 2.97Å; F110-H112 PolarHBondContact O-ND1 3.26Å |
| 111 | M | 97.9 | Very high | 98.1 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.8 | -176.3 | -56.9 | -63.9 | -70 | 0 | 0 | 112.6 | E31 L33 D34 L138 K139 | E31-M111 PolarHBondContact O-N 2.98Å; L33-M111 PolarHBondContact O-N 3.46Å; D34-M111 HydrophobicContact CB-CG 4.41Å; D34-M111 HydrophobicContact CB-SD 3.96Å; M111-L138 HydrophobicContact CB-CB 4.31Å; M111-L138 HydrophobicContact CE-CB 4.2Å; M111-L138 WeakPolarHBondContact O-CB 3.38Å; M111-L138 PolarHBondContact O-N 2.89Å; M111-K139 HydrophobicContact CB-CD 4.32Å; M111-K139 HydrophobicContact CB-CG 3.87Å; M111-K139 HydrophobicContact CG-CD 4.43Å; M111-K139 VanDerWaalsContact CG-CE 3.45Å; M111-K139 HydrophobicContact CG-CG 4.21Å |
| 112 | H | 98.4 | Very high | 98 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.4 | 176 | -77.4 | 68.1 | 0 | 0 | 0 | 109.9 | Y30 E31 C32 K109 F110 V135 K136 | Y30-H112 HydrophobicContact CD1-CB 3.68Å; Y30-H112 HydrophobicContact CG-CB 4.43Å; E31-H112 CarbonylContact C-O 3.47Å; E31-H112 VanDerWaalsContact C-O 3.29Å; E31-H112 PolarHBondContact O-N 3.24Å; C32-H112 PolarHBondContact N-O 3.31Å; K109-H112 HydrophobicContact CB-CB 4.37Å; F110-H112 PolarHBondContact O-N 2.97Å; F110-H112 PolarHBondContact O-ND1 3.26Å; H112-V135 HydrophobicContact CB-CG1 3.64Å; H112-K136 WeakPolarHBondContact CA-O 3.24Å |
| 113 | L | 98 | Very high | 97.9 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.9 | 177.8 | 175.6 | 67.1 | 0 | 0 | 0 | 109.6 | C32 V52 V115 V135 K136 L138 | C32-L113 HydrophobicContact CB-CB 4.42Å; C32-L113 HydrophobicContact CB-CD1 4.12Å; V52-L113 HydrophobicContact CG1-CD1 4.32Å; V52-L113 HydrophobicContact CG1-CD2 4.27Å; L113-V115 HydrophobicContact CD2-CG1 3.98Å; L113-V115 HydrophobicContact CG-CG1 3.98Å; L113-V115 PolarHBondContact O-N 3.41Å; L113-V135 CarbonylContact O-C 3.49Å; L113-V135 WeakPolarHBondContact O-CA 3.41Å; L113-K136 PolarHBondContact N-O 2.96Å; L113-K136 PolarHBondContact O-N 2.86Å; L113-L138 HydrophobicContact CB-CD1 4.2Å; L113-L138 HydrophobicContact CB-CD2 3.92Å; L113-L138 HydrophobicContact CB-CG 4.17Å; L113-L138 HydrophobicContact CD2-CD2 4.41Å |
| 114 | V | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.3 | 167.7 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | I6 Y30 L117 V133 V135 F272 | I6-V114 HydrophobicContact CD1-CB 4.3Å; I6-V114 HydrophobicContact CD1-CG1 3.93Å; I6-V114 HydrophobicContact CD1-CG2 4.31Å; I6-V114 HydrophobicContact CG1-CB 4.48Å; I6-V114 HydrophobicContact CG1-CG2 4.01Å; I6-V114 HydrophobicContact CG2-CB 4.13Å; I6-V114 HydrophobicContact CG2-CG2 4.04Å; Y30-V114 HydrophobicContact CD2-CG2 3.82Å; Y30-V114 HydrophobicContact CG-CG2 3.97Å; V114-L117 HydrophobicContact CG1-CD2 4.33Å; V114-V133 HydrophobicContact CG1-CG1 3.77Å; V114-V133 HydrophobicContact CG2-CG1 4.07Å; V114-V135 HydrophobicContact CG2-CG2 4Å; V114-F272 HydrophobicContact CG1-CB 3.96Å; V114-F272 HydrophobicContact CG1-CG 4.12Å |
| 115 | V | 97.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 57.2 Ų | 57.2 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -20.9 | -174.6 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | L113 T134 K136 F272 | L113-V115 HydrophobicContact CD2-CG1 3.98Å; L113-V115 HydrophobicContact CG-CG1 3.98Å; L113-V115 PolarHBondContact O-N 3.41Å; V115-T134 HydrophobicContact CG2-CG2 3.67Å; V115-T134 WeakPolarHBondContact CG2-O 3.49Å; V115-T134 PolarHBondContact N-O 2.98Å; V115-K136 HydrophobicContact CG1-CB 4.05Å; V115-F272 WeakPolarHBondContact O-CA 3.38Å |
| 116 | R | 98.4 | Very high | 97.2 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 138.7 | 177.4 | -170.4 | 169.3 | -172.4 | 148.2 | 4.9 | 113.2 | R118 T134 F272 K274 D276 | R116-R118 HydrophobicContact CG-CG 4.24Å; R116-R118 VanDerWaalsContact CZ-NE 3.3Å; R116-R118 VanDerWaalsContact CZ-NH2 3.35Å; R116-R118 VanDerWaalsContact NH1-NH2 3.19Å; R116-T134 PolarHBondContact N-O 3.27Å; R116-T134 PolarHBondContact O-N 3.32Å; R116-F272 CarbonylContact C-O 3.6Å; R116-F272 WeakPolarHBondContact CA-O 3.3Å; R116-K274 HydrophobicContact CG-CG 4.36Å; R116-D276 IonicContact NH2-OD1 2.74Å; R116-D276 PolarHBondContact NH2-OD1 2.86Å; R116-D276 VanDerWaalsContact NH2-OD1 3.07Å; R116-D276 IonicContact NH2-OD2 3.71Å |
| 117 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.4 | 161.1 | -62.6 | -179.9 | 0 | 0 | 0 | 109.8 | I6 V114 V133 V151 F272 I273 L277 L301 | I6-L117 HydrophobicContact CD1-CD1 4.2Å; I6-L117 HydrophobicContact CD1-CD2 4.22Å; V114-L117 HydrophobicContact CG1-CD2 4.33Å; L117-V133 HydrophobicContact CD2-CB 4.19Å; L117-V133 HydrophobicContact CD2-CG1 4Å; L117-V133 HydrophobicContact CD2-CG2 3.69Å; L117-V151 HydrophobicContact CD1-CG1 4.18Å; L117-V151 HydrophobicContact CD2-CG1 4.28Å; L117-V151 HydrophobicContact CD2-CG2 4.38Å; L117-F272 HydrophobicContact CD1-CD2 3.75Å; L117-F272 HydrophobicContact CD1-CE2 4.07Å; L117-F272 HydrophobicContact CG-CD2 3.9Å; L117-F272 PolarHBondContact N-O 2.9Å; L117-I273 HydrophobicContact CD1-CG1 4.41Å; L117-L277 HydrophobicContact CB-CD1 3.95Å; L117-L301 HydrophobicContact CD1-CD1 4.13Å |
| 118 | R | 98.2 | Very high | 96.6 | Very high | 128 Ų | 128 | 57.3 Ų | 57.3 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.8 | 165.7 | -67.1 | -175.3 | 179.2 | -168.1 | -3.1 | 109 | R116 W131 A132 | R116-R118 HydrophobicContact CG-CG 4.24Å; R116-R118 VanDerWaalsContact CZ-NE 3.3Å; R116-R118 VanDerWaalsContact CZ-NH2 3.35Å; R116-R118 VanDerWaalsContact NH1-NH2 3.19Å; R118-W131 WeakPolarHBondContact O-CA 3.45Å; R118-A132 HydrophobicContact CB-CB 4.31Å; R118-A132 PolarHBondContact N-O 3.36Å; R118-A132 PolarHBondContact O-N 2.85Å |
| 119 | H | 98.2 | Very high | 96.6 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.6 | 176.9 | -174 | -82.9 | 0 | 0 | 0 | 110.7 | P130 W131 L277 F298 | H119-P130 CarbonylContact C-O 3.58Å; H119-P130 WeakPolarHBondContact CA-O 3.49Å; H119-W131 HydrophobicContact CB-CE3 4.1Å; H119-W131 HydrophobicContact CB-CH2 4.11Å; H119-W131 HydrophobicContact CB-CZ3 3.82Å; H119-W131 AromaticContact CD2-CD2 3.86Å; H119-W131 AromaticContact CD2-CE2 3.52Å; H119-W131 AromaticContact CD2-CH2 3.79Å; H119-W131 AromaticContact CD2-CZ2 3.49Å; H119-W131 VanDerWaalsContact CD2-CZ2 3.49Å; H119-W131 WeakPolarHBondContact CD2-CZ2 3.16Å; H119-W131 AromaticContact CD2-NE1 3.97Å; H119-L277 HydrophobicContact CB-CD2 3.94Å; H119-F298 HydrophobicContact CB-CD1 3.97Å; H119-F298 HydrophobicContact CB-CE1 3.76Å; H119-F298 HydrophobicContact CB-CZ 4.46Å; H119-F298 AromaticContact CD2-CD1 3.57Å; H119-F298 AromaticContact CE1-CD1 3.77Å; H119-F298 AromaticContact CG-CD1 3.43Å; H119-F298 VanDerWaalsContact CG-CD1 3.43Å; H119-F298 AromaticContact CG-CE1 3.5Å; H119-F298 AromaticContact ND1-CD1 3.58Å; H119-F298 AromaticContact ND1-CE1 3.44Å; H119-F298 WeakPolarHBondContact ND1-CE1 3.3Å; H119-F298 AromaticContact NE2-CD1 3.77Å |
| 120 | D | 97.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 56.8 Ų | 56.8 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | trans | -105.1 | 107.7 | 172.8 | -176.9 | -8.9 | 0 | 0 | 0 | 110.3 | T122 A123 A124 P130 | D120-T122 VanDerWaalsContact C-N 3.26Å; D120-T122 PolarHBondContact O-N 3.4Å; D120-T122 WeakPolarHBondContact OD1-CA 3.13Å; D120-T122 VanDerWaalsContact OD1-CB 3.25Å; D120-T122 WeakPolarHBondContact OD1-CB 3.44Å; D120-T122 PolarHBondContact OD1-N 3.09Å; D120-T122 PolarHBondContact OD1-OG1 3.38Å; D120-A123 HydrophobicContact CB-CB 3.87Å; D120-A123 PolarHBondContact O-N 2.87Å; D120-A123 PolarHBondContact OD1-N 2.95Å; D120-A124 PolarHBondContact O-N 3.03Å; D120-P130 PolarHBondContact N-O 3.36Å; D120-P130 VanDerWaalsContact O-CB 3.31Å; D120-P130 WeakPolarHBondContact O-CB 3.15Å | ||
| 121 | A | 94.2 | Very high | 96.6 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A124 A125 | A121-A124 PolarHBondContact O-N 2.85Å; A121-A125 WeakPolarHBondContact O-CB 3.36Å; A121-A125 PolarHBondContact O-N 2.98Å |
| 122 | T | 96.2 | Very high | 96.6 | Very high | 110 Ų | 110 | 52.9 Ų | 52.9 | 68% | 0.675 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.6 | -44.8 | 178 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | D120 A124 A125 A126 | D120-T122 VanDerWaalsContact C-N 3.26Å; D120-T122 PolarHBondContact O-N 3.4Å; D120-T122 WeakPolarHBondContact OD1-CA 3.13Å; D120-T122 VanDerWaalsContact OD1-CB 3.25Å; D120-T122 WeakPolarHBondContact OD1-CB 3.44Å; D120-T122 PolarHBondContact OD1-N 3.09Å; D120-T122 PolarHBondContact OD1-OG1 3.38Å; T122-A124 VanDerWaalsContact C-N 3.31Å; T122-A124 PolarHBondContact O-N 3.03Å; T122-A125 PolarHBondContact O-N 3.5Å; T122-A126 PolarHBondContact O-N 2.74Å |
| 123 | A | 95.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D120 A125 A126 G127 H128 P130 | D120-A123 HydrophobicContact CB-CB 3.87Å; D120-A123 PolarHBondContact O-N 2.87Å; D120-A123 PolarHBondContact OD1-N 2.95Å; A123-A125 PolarHBondContact O-N 2.94Å; A123-A126 CarbonylContact O-C 3.48Å; A123-A126 PolarHBondContact O-N 2.82Å; A123-G127 PolarHBondContact O-N 2.71Å; A123-G127 VanDerWaalsContact O-N 3.16Å; A123-H128 HydrophobicContact CB-CB 4.21Å; A123-H128 PolarHBondContact O-N 3.29Å; A123-P130 HydrophobicContact CB-CB 4.42Å |
| 124 | A | 93.8 | Very high | 96.7 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D120 A121 T122 A126 G127 P130 | D120-A124 PolarHBondContact O-N 3.03Å; A121-A124 PolarHBondContact O-N 2.85Å; T122-A124 VanDerWaalsContact C-N 3.31Å; T122-A124 PolarHBondContact O-N 3.03Å; A124-A126 VanDerWaalsContact C-N 3.26Å; A124-A126 PolarHBondContact O-N 2.93Å; A124-G127 PolarHBondContact O-N 3.38Å; A124-G127 VanDerWaalsContact O-N 3.07Å; A124-P130 HydrophobicContact CB-CB 3.73Å; A124-P130 HydrophobicContact CB-CG 4.18Å |
| 125 | A | 93 | Very high | 96.7 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 78% | 0.777 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65 | -29.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A121 T122 A123 G127 | A121-A125 WeakPolarHBondContact O-CB 3.36Å; A121-A125 PolarHBondContact O-N 2.98Å; T122-A125 PolarHBondContact O-N 3.5Å; A123-A125 PolarHBondContact O-N 2.94Å; A125-G127 VanDerWaalsContact C-N 3.31Å |
| 126 | A | 94.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T122 A123 A124 H128 | T122-A126 PolarHBondContact O-N 2.74Å; A123-A126 CarbonylContact O-C 3.48Å; A123-A126 PolarHBondContact O-N 2.82Å; A124-A126 VanDerWaalsContact C-N 3.26Å; A124-A126 PolarHBondContact O-N 2.93Å; A126-H128 VanDerWaalsContact C-N 3.28Å; A126-H128 PolarHBondContact O-N 3.32Å |
| 127 | G | 90.5 | Very high | 96.7 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 58% | 0.577 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 17.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A123 A124 A125 | A123-G127 PolarHBondContact O-N 2.71Å; A123-G127 VanDerWaalsContact O-N 3.16Å; A124-G127 PolarHBondContact O-N 3.38Å; A124-G127 VanDerWaalsContact O-N 3.07Å; A125-G127 VanDerWaalsContact C-N 3.31Å |
| 128 | H | 95.3 | Very high | 96.6 | Very high | 117 Ų | 117 | 50.3 Ų | 50.3 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -88.5 | 176.3 | 174.1 | -60.4 | 164.1 | 0 | 0 | 0 | 111.2 | A123 A126 P130 | A123-H128 HydrophobicContact CB-CB 4.21Å; A123-H128 PolarHBondContact O-N 3.29Å; A126-H128 VanDerWaalsContact C-N 3.28Å; A126-H128 PolarHBondContact O-N 3.32Å; H128-P130 WeakPolarHBondContact O-CD 3.29Å |
| 129 | E | 97.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | trans | -62.9 | 104.7 | 171.6 | -69.1 | 85.7 | 174.9 | 0 | 0 | 112.8 | L147 F148 H149 | E129-L147 HydrophobicContact CB-CB 3.6Å; E129-L147 HydrophobicContact CG-CB 4.12Å; E129-F148 CarbonylContact C-O 3.6Å; E129-F148 WeakPolarHBondContact CA-O 3.44Å; E129-F148 WeakPolarHBondContact CB-O 3.1Å; E129-H149 VanDerWaalsContact CD-CE1 3.47Å; E129-H149 WeakPolarHBondContact CG-ND1 3.33Å; E129-H149 IonicContact OE1-CE1 3.11Å; E129-H149 PolarHBondContact OE1-CE1 2.93Å; E129-H149 VanDerWaalsContact OE1-CE1 3.24Å; E129-H149 IonicContact OE1-ND1 3.72Å | ||
| 130 | P | 97.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | trans | -85.4 | -13.5 | -176.7 | 36.1 | -33.4 | 0 | 0 | 0 | 113.4 | H119 D120 A123 A124 H128 F148 | H119-P130 CarbonylContact C-O 3.58Å; H119-P130 WeakPolarHBondContact CA-O 3.49Å; D120-P130 PolarHBondContact N-O 3.36Å; D120-P130 VanDerWaalsContact O-CB 3.31Å; D120-P130 WeakPolarHBondContact O-CB 3.15Å; A123-P130 HydrophobicContact CB-CB 4.42Å; A124-P130 HydrophobicContact CB-CB 3.73Å; A124-P130 HydrophobicContact CB-CG 4.18Å; H128-P130 WeakPolarHBondContact O-CD 3.29Å; P130-F148 WeakPolarHBondContact CD-O 3.21Å | ||
| 131 | W | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 112.2 | -175.4 | -67.5 | 100.7 | 0 | 0 | 0 | 111.8 | R118 H119 L147 F148 V151 L277 F298 T300 L301 | R118-W131 WeakPolarHBondContact O-CA 3.45Å; H119-W131 HydrophobicContact CB-CE3 4.1Å; H119-W131 HydrophobicContact CB-CH2 4.11Å; H119-W131 HydrophobicContact CB-CZ3 3.82Å; H119-W131 AromaticContact CD2-CD2 3.86Å; H119-W131 AromaticContact CD2-CE2 3.52Å; H119-W131 AromaticContact CD2-CH2 3.79Å; H119-W131 AromaticContact CD2-CZ2 3.49Å; H119-W131 VanDerWaalsContact CD2-CZ2 3.49Å; H119-W131 WeakPolarHBondContact CD2-CZ2 3.16Å; H119-W131 AromaticContact CD2-NE1 3.97Å; W131-L147 CarbonylContact O-C 3.53Å; W131-L147 VanDerWaalsContact O-CA 3.26Å; W131-L147 WeakPolarHBondContact O-CA 3.45Å; W131-F148 HydrophobicContact CB-CB 4.24Å; W131-F148 WeakPolarHBondContact CB-O 3.38Å; W131-F148 PolarHBondContact N-O 3.41Å; W131-F148 PolarHBondContact O-N 3.03Å; W131-V151 HydrophobicContact CB-CG2 3.74Å; W131-V151 HydrophobicContact CD2-CG2 3.89Å; W131-V151 HydrophobicContact CE3-CG2 4.33Å; W131-V151 HydrophobicContact CG-CG2 3.63Å; W131-L277 HydrophobicContact CH2-CD2 4.37Å; W131-L277 HydrophobicContact CZ3-CD1 4.27Å; W131-L277 HydrophobicContact CZ3-CD2 3.93Å; W131-F298 HydrophobicContact CH2-CB 3.65Å; W131-F298 HydrophobicContact CH2-CD1 4.28Å; W131-F298 HydrophobicContact CH2-CD2 4.45Å; W131-F298 AromaticContact CH2-CG 3.89Å; W131-F298 HydrophobicContact CH2-CG 3.89Å; W131-F298 HydrophobicContact CZ2-CB 3.57Å; W131-F298 HydrophobicContact CZ2-CD1 4.5Å; W131-F298 HydrophobicContact CZ2-CG 4.21Å; W131-T300 PolarHBondContact NE1-OG1 3.21Å; W131-L301 HydrophobicContact CH2-CB 3.65Å; W131-L301 HydrophobicContact CH2-CD1 4.48Å; W131-L301 HydrophobicContact CH2-CD2 3.79Å; W131-L301 HydrophobicContact CH2-CG 4.19Å; W131-L301 HydrophobicContact CZ2-CB 3.44Å; W131-L301 VanDerWaalsContact CZ2-CB 3.44Å; W131-L301 HydrophobicContact CZ2-CD2 4.46Å; W131-L301 HydrophobicContact CZ2-CG 4.41Å; W131-L301 HydrophobicContact CZ3-CD2 4.34Å |
| 132 | A | 98.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 54 Ų | 54 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R118 T145 L147 | R118-A132 HydrophobicContact CB-CB 4.31Å; R118-A132 PolarHBondContact N-O 3.36Å; R118-A132 PolarHBondContact O-N 2.85Å; A132-T145 HydrophobicContact CB-CG2 3.84Å; A132-L147 HydrophobicContact CB-CD2 3.75Å |
| 133 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.5 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | C4 Y30 V114 L117 V135 T145 E146 F148 V151 | C4-V133 HydrophobicContact CB-CG2 4.17Å; Y30-V133 HydrophobicContact CD2-CG1 4.5Å; Y30-V133 HydrophobicContact CE2-CG1 4.27Å; V114-V133 HydrophobicContact CG1-CG1 3.77Å; V114-V133 HydrophobicContact CG2-CG1 4.07Å; L117-V133 HydrophobicContact CD2-CB 4.19Å; L117-V133 HydrophobicContact CD2-CG1 4Å; L117-V133 HydrophobicContact CD2-CG2 3.69Å; V133-V135 HydrophobicContact CG1-CG2 3.83Å; V133-T145 WeakPolarHBondContact O-CA 3.27Å; V133-E146 PolarHBondContact N-O 3.22Å; V133-E146 PolarHBondContact O-N 3.39Å; V133-F148 HydrophobicContact CB-CD2 3.92Å; V133-F148 HydrophobicContact CB-CE2 3.79Å; V133-F148 HydrophobicContact CG2-CD2 3.41Å; V133-F148 VanDerWaalsContact CG2-CD2 3.41Å; V133-F148 HydrophobicContact CG2-CE2 3.76Å; V133-F148 HydrophobicContact CG2-CG 4.32Å; V133-V151 HydrophobicContact CG2-CG2 4.05Å |
| 134 | T | 98.8 | Very high | 97 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 14% | 0.135 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.3 | 177.1 | -51.7 | 0 | 0 | 0 | 0 | 110 | V115 R116 I143 E144 T145 | V115-T134 HydrophobicContact CG2-CG2 3.67Å; V115-T134 WeakPolarHBondContact CG2-O 3.49Å; V115-T134 PolarHBondContact N-O 2.98Å; R116-T134 PolarHBondContact N-O 3.27Å; R116-T134 PolarHBondContact O-N 3.32Å; T134-I143 HydrophobicContact CG2-CG2 3.47Å; T134-I143 VanDerWaalsContact CG2-CG2 3.47Å; T134-E144 CarbonylContact C-O 3.52Å; T134-E144 WeakPolarHBondContact CA-O 3.17Å; T134-T145 PolarHBondContact OG1-OG1 2.98Å; T134-T145 VanDerWaalsContact OG1-OG1 3.09Å |
| 135 | V | 98.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.8 | -170.7 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | Y30 H112 L113 V114 V133 I143 E144 | Y30-V135 HydrophobicContact CD1-CB 4.46Å; Y30-V135 HydrophobicContact CD1-CG1 3.68Å; Y30-V135 HydrophobicContact CD1-CG2 4.11Å; Y30-V135 HydrophobicContact CD2-CG2 3.93Å; Y30-V135 HydrophobicContact CE1-CB 4.26Å; Y30-V135 HydrophobicContact CE1-CG1 3.88Å; Y30-V135 HydrophobicContact CE1-CG2 3.88Å; Y30-V135 HydrophobicContact CE2-CG2 3.73Å; Y30-V135 HydrophobicContact CG-CG1 4.14Å; Y30-V135 HydrophobicContact CG-CG2 4.11Å; H112-V135 HydrophobicContact CB-CG1 3.64Å; L113-V135 CarbonylContact O-C 3.49Å; L113-V135 WeakPolarHBondContact O-CA 3.41Å; V114-V135 HydrophobicContact CG2-CG2 4Å; V133-V135 HydrophobicContact CG1-CG2 3.83Å; V135-I143 WeakPolarHBondContact O-CA 3.14Å; V135-E144 PolarHBondContact N-O 2.89Å; V135-E144 PolarHBondContact O-N 2.83Å |
| 136 | K | 98.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 19% | 0.191 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.9 | 171.9 | -174.6 | -174 | -175.9 | -168.5 | 0 | 109.4 | E51 H112 L113 V115 L138 Q142 I143 | E51-K136 IonicContact OE1-NZ 3.31Å; E51-K136 PolarHBondContact OE1-NZ 3.03Å; E51-K136 IonicContact OE2-NZ 3.07Å; E51-K136 PolarHBondContact OE2-NZ 3.32Å; H112-K136 WeakPolarHBondContact CA-O 3.24Å; L113-K136 PolarHBondContact N-O 2.96Å; L113-K136 PolarHBondContact O-N 2.86Å; V115-K136 HydrophobicContact CG1-CB 4.05Å; K136-L138 HydrophobicContact CD-CD2 4.23Å; K136-L138 PolarHBondContact O-N 2.73Å; K136-Q142 CarbonylContact C-O 3.4Å; K136-Q142 WeakPolarHBondContact CA-O 3.44Å; K136-I143 HydrophobicContact CB-CG1 4.18Å; K136-I143 HydrophobicContact CG-CG1 4.09Å |
| 137 | N | 98.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 113.5 | 165.4 | -178.6 | -35.9 | 0 | 0 | 0 | 108.4 | K139 T140 G141 Q142 | N137-K139 VanDerWaalsContact C-N 3.25Å; N137-K139 PolarHBondContact O-N 3.45Å; N137-K139 WeakPolarHBondContact OD1-CA 3.45Å; N137-K139 WeakPolarHBondContact OD1-CB 3.38Å; N137-K139 PolarHBondContact OD1-N 3Å; N137-T140 WeakPolarHBondContact CB-OG1 3.49Å; N137-T140 VanDerWaalsContact CG-OG1 3.23Å; N137-T140 PolarHBondContact O-N 3.44Å; N137-T140 PolarHBondContact OD1-N 3.26Å; N137-T140 VanDerWaalsContact OD1-N 3.13Å; N137-G141 VanDerWaalsContact O-CA 3.24Å; N137-G141 WeakPolarHBondContact O-CA 2.98Å; N137-G141 PolarHBondContact O-N 3.44Å; N137-Q142 PolarHBondContact N-O 2.96Å |
| 138 | L | 97.5 | Very high | 98.1 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16.3 | -175.1 | -60.7 | 170.9 | 0 | 0 | 0 | 113 | C32 V52 M111 L113 K136 | C32-L138 HydrophobicContact CB-CD1 4.41Å; C32-L138 VanDerWaalsContact O-CD1 3.22Å; C32-L138 WeakPolarHBondContact O-CD1 3.4Å; V52-L138 HydrophobicContact CG1-CD1 3.52Å; V52-L138 HydrophobicContact CG1-CD2 4.25Å; M111-L138 HydrophobicContact CB-CB 4.31Å; M111-L138 HydrophobicContact CE-CB 4.2Å; M111-L138 WeakPolarHBondContact O-CB 3.38Å; M111-L138 PolarHBondContact O-N 2.89Å; L113-L138 HydrophobicContact CB-CD1 4.2Å; L113-L138 HydrophobicContact CB-CD2 3.92Å; L113-L138 HydrophobicContact CB-CG 4.17Å; L113-L138 HydrophobicContact CD2-CD2 4.41Å; K136-L138 HydrophobicContact CD-CD2 4.23Å; K136-L138 PolarHBondContact O-N 2.73Å |
| 139 | K | 96.3 | Very high | 98.2 | Very high | 164 Ų | 164 | 52 Ų | 52 | 71% | 0.713 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -39.2 | 175.7 | -60.1 | -176.6 | -179.1 | -178.7 | 0 | 111.8 | M111 N137 | M111-K139 HydrophobicContact CB-CD 4.32Å; M111-K139 HydrophobicContact CB-CG 3.87Å; M111-K139 HydrophobicContact CG-CD 4.43Å; M111-K139 VanDerWaalsContact CG-CE 3.45Å; M111-K139 HydrophobicContact CG-CG 4.21Å; N137-K139 VanDerWaalsContact C-N 3.25Å; N137-K139 PolarHBondContact O-N 3.45Å; N137-K139 WeakPolarHBondContact OD1-CA 3.45Å; N137-K139 WeakPolarHBondContact OD1-CB 3.38Å; N137-K139 PolarHBondContact OD1-N 3Å |
| 140 | T | 97.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 56% | 0.558 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -16.4 | -174.5 | 65.5 | 0 | 0 | 0 | 0 | 113.7 | N137 Q142 | N137-T140 WeakPolarHBondContact CB-OG1 3.49Å; N137-T140 VanDerWaalsContact CG-OG1 3.23Å; N137-T140 PolarHBondContact O-N 3.44Å; N137-T140 PolarHBondContact OD1-N 3.26Å; N137-T140 VanDerWaalsContact OD1-N 3.13Å; T140-Q142 PolarHBondContact O-N 2.92Å; T140-Q142 WeakPolarHBondContact OG1-CB 3.45Å; T140-Q142 PolarHBondContact OG1-N 3.4Å |
| 141 | G | 97.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | trans | 76 | -4.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N137 | N137-G141 VanDerWaalsContact O-CA 3.24Å; N137-G141 WeakPolarHBondContact O-CA 2.98Å; N137-G141 PolarHBondContact O-N 3.44Å | ||
| 142 | Q | 98.3 | Very high | 98.4 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 49% | 0.486 | 26% | 0.259 | S | S | . | . | trans | -66 | 138.5 | -178 | -169.8 | -176.5 | -4.7 | 0 | 0 | 111.1 | K136 N137 T140 E144 | K136-Q142 CarbonylContact C-O 3.4Å; K136-Q142 WeakPolarHBondContact CA-O 3.44Å; N137-Q142 PolarHBondContact N-O 2.96Å; T140-Q142 PolarHBondContact O-N 2.92Å; T140-Q142 WeakPolarHBondContact OG1-CB 3.45Å; T140-Q142 PolarHBondContact OG1-N 3.4Å; Q142-E144 VanDerWaalsContact CD-OE1 3.26Å; Q142-E144 HydrophobicContact CG-CG 4.23Å; Q142-E144 PolarHBondContact NE2-OE1 3.34Å | ||
| 143 | I | 98.7 | Very high | 98.4 | Very high | 106 Ų | 106 | 47.5 Ų | 47.5 | 54% | 0.544 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129 | 176.2 | -61.2 | 175.1 | 0 | 0 | 0 | 108.6 | T134 V135 K136 | T134-I143 HydrophobicContact CG2-CG2 3.47Å; T134-I143 VanDerWaalsContact CG2-CG2 3.47Å; V135-I143 WeakPolarHBondContact O-CA 3.14Å; K136-I143 HydrophobicContact CB-CG1 4.18Å; K136-I143 HydrophobicContact CG-CG1 4.09Å |
| 144 | E | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 153.7 | 178.5 | -63.8 | -179.5 | 173.9 | 0 | 0 | 110 | T134 V135 Q142 | T134-E144 CarbonylContact C-O 3.52Å; T134-E144 WeakPolarHBondContact CA-O 3.17Å; V135-E144 PolarHBondContact N-O 2.89Å; V135-E144 PolarHBondContact O-N 2.83Å; Q142-E144 VanDerWaalsContact CD-OE1 3.26Å; Q142-E144 HydrophobicContact CG-CG 4.23Å; Q142-E144 PolarHBondContact NE2-OE1 3.34Å |
| 145 | T | 98.7 | Very high | 98.2 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.4 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 108.9 | A132 V133 T134 | A132-T145 HydrophobicContact CB-CG2 3.84Å; V133-T145 WeakPolarHBondContact O-CA 3.27Å; T134-T145 PolarHBondContact OG1-OG1 2.98Å; T134-T145 VanDerWaalsContact OG1-OG1 3.09Å |
| 146 | E | 98.4 | Very high | 98 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.7 | 175.8 | -62.7 | -162.3 | -117.5 | 0 | 0 | 110.5 | R2 Y30 K109 V133 F148 | R2-E146 IonicContact CZ-OE2 3.33Å; R2-E146 VanDerWaalsContact CZ-OE2 3.31Å; R2-E146 IonicContact NH1-OE2 2.65Å; R2-E146 IonicContact NH2-OE1 2.68Å; R2-E146 IonicContact NH2-OE2 2.99Å; R2-E146 PolarHBondContact NH2-OE2 2.87Å; Y30-E146 PolarHBondContact OH-OE1 3.02Å; K109-E146 IonicContact NZ-OE1 2.56Å; K109-E146 PolarHBondContact NZ-OE1 3.21Å; V133-E146 PolarHBondContact N-O 3.22Å; V133-E146 PolarHBondContact O-N 3.39Å; E146-F148 HydrophobicContact CB-CE2 3.69Å; E146-F148 HydrophobicContact CB-CZ 4.2Å; E146-F148 WeakPolarHBondContact O-CD2 3Å |
| 147 | L | 98.6 | Very high | 97.6 | Very high | 93 Ų | 93 | 49 Ų | 49 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139 | -176.7 | -56 | -178.3 | 0 | 0 | 0 | 112.2 | R2 E129 W131 A132 | R2-L147 PolarHBondContact NH1-O 3.33Å; E129-L147 HydrophobicContact CB-CB 3.6Å; E129-L147 HydrophobicContact CG-CB 4.12Å; W131-L147 CarbonylContact O-C 3.53Å; W131-L147 VanDerWaalsContact O-CA 3.26Å; W131-L147 WeakPolarHBondContact O-CA 3.45Å; A132-L147 HydrophobicContact CB-CD2 3.75Å |
| 148 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.7 | -177.8 | -62.8 | -96.6 | 0 | 0 | 0 | 112.1 | R2 I3 C4 V28 Y30 E129 P130 W131 V133 E146 | R2-F148 HydrophobicContact CB-CD1 4.41Å; R2-F148 HydrophobicContact CG-CD1 3.67Å; R2-F148 HydrophobicContact CG-CE1 4.02Å; R2-F148 VanDerWaalsContact CZ-CE1 3.41Å; I3-F148 VanDerWaalsContact C-CD1 3.4Å; C4-F148 HydrophobicContact CB-CB 4.25Å; C4-F148 HydrophobicContact CB-CD1 3.51Å; C4-F148 HydrophobicContact CB-CD2 3.89Å; C4-F148 HydrophobicContact CB-CE1 3.65Å; C4-F148 HydrophobicContact CB-CE2 4.01Å; C4-F148 HydrophobicContact CB-CG 3.63Å; C4-F148 HydrophobicContact CB-CZ 3.88Å; C4-F148 VanDerWaalsContact N-CD1 3.26Å; V28-F148 HydrophobicContact CB-CE1 3.99Å; V28-F148 HydrophobicContact CB-CZ 4.22Å; V28-F148 HydrophobicContact CG2-CE1 4.18Å; Y30-F148 HydrophobicContact CE2-CE2 4.27Å; Y30-F148 AromaticContact CE2-CZ 3.88Å; Y30-F148 HydrophobicContact CE2-CZ 3.88Å; E129-F148 CarbonylContact C-O 3.6Å; E129-F148 WeakPolarHBondContact CA-O 3.44Å; E129-F148 WeakPolarHBondContact CB-O 3.1Å; P130-F148 WeakPolarHBondContact CD-O 3.21Å; W131-F148 HydrophobicContact CB-CB 4.24Å; W131-F148 WeakPolarHBondContact CB-O 3.38Å; W131-F148 PolarHBondContact N-O 3.41Å; W131-F148 PolarHBondContact O-N 3.03Å; V133-F148 HydrophobicContact CB-CD2 3.92Å; V133-F148 HydrophobicContact CB-CE2 3.79Å; V133-F148 HydrophobicContact CG2-CD2 3.41Å; V133-F148 VanDerWaalsContact CG2-CD2 3.41Å; V133-F148 HydrophobicContact CG2-CE2 3.76Å; V133-F148 HydrophobicContact CG2-CG 4.32Å; E146-F148 HydrophobicContact CB-CE2 3.69Å; E146-F148 HydrophobicContact CB-CZ 4.2Å; E146-F148 WeakPolarHBondContact O-CD2 3Å |
| 149 | H | 98.5 | Very high | 96.7 | Very high | 44 Ų | 44 | 50 Ų | 50 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -77.1 | -32.1 | 172.7 | -69 | 73.8 | 0 | 0 | 0 | 112 | M1 R2 E129 | M1-H149 HydrophobicContact CB-CB 4.01Å; M1-H149 HydrophobicContact CG-CB 4.16Å; R2-H149 PolarHBondContact N-ND1 2.65Å; R2-H149 PolarHBondContact O-N 3.42Å; E129-H149 VanDerWaalsContact CD-CE1 3.47Å; E129-H149 WeakPolarHBondContact CG-ND1 3.33Å; E129-H149 IonicContact OE1-CE1 3.11Å; E129-H149 PolarHBondContact OE1-CE1 2.93Å; E129-H149 VanDerWaalsContact OE1-CE1 3.24Å; E129-H149 IonicContact OE1-ND1 3.72Å |
| 150 | S | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 154.9 | -178 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | C4 T300 F302 | C4-S150 PolarHBondContact N-O 2.81Å; S150-T300 VanDerWaalsContact CA-O 3.28Å; S150-T300 WeakPolarHBondContact CA-O 3.18Å; S150-T300 VanDerWaalsContact CB-O 3.29Å; S150-T300 WeakPolarHBondContact CB-O 3.28Å; S150-T300 PolarHBondContact OG-O 3.49Å; S150-F302 WeakPolarHBondContact OG-CE2 3.29Å |
| 151 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.7 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | C4 I6 L117 W131 V133 V153 T300 L301 F302 | C4-V151 HydrophobicContact CB-CG1 4.41Å; C4-V151 HydrophobicContact CB-CG2 4.14Å; C4-V151 CarbonylContact O-C 3.57Å; C4-V151 WeakPolarHBondContact O-CA 3.48Å; I6-V151 HydrophobicContact CD1-CG1 3.78Å; I6-V151 HydrophobicContact CG1-CG1 4.14Å; L117-V151 HydrophobicContact CD1-CG1 4.18Å; L117-V151 HydrophobicContact CD2-CG1 4.28Å; L117-V151 HydrophobicContact CD2-CG2 4.38Å; W131-V151 HydrophobicContact CB-CG2 3.74Å; W131-V151 HydrophobicContact CD2-CG2 3.89Å; W131-V151 HydrophobicContact CE3-CG2 4.33Å; W131-V151 HydrophobicContact CG-CG2 3.63Å; V133-V151 HydrophobicContact CG2-CG2 4.05Å; V151-V153 HydrophobicContact CG1-CG2 4.3Å; V151-T300 PolarHBondContact N-O 3.42Å; V151-L301 HydrophobicContact CB-CD1 3.78Å; V151-L301 HydrophobicContact CG1-CD1 3.9Å; V151-L301 WeakPolarHBondContact O-CA 3.2Å; V151-F302 PolarHBondContact O-N 3.04Å |
| 152 | F | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.4 | 171 | -74.1 | -116.5 | 0 | 0 | 0 | 108.8 | I3 C4 V5 I6 A15 L19 C154 F302 I304 A323 L327 | I3-F152 HydrophobicContact CG2-CD2 3.6Å; I3-F152 HydrophobicContact CG2-CE2 3.73Å; C4-F152 PolarHBondContact O-N 3.04Å; V5-F152 CarbonylContact C-O 3.58Å; V5-F152 WeakPolarHBondContact CA-O 3.42Å; V5-F152 HydrophobicContact CB-CB 4.49Å; V5-F152 HydrophobicContact CG1-CB 4.32Å; V5-F152 HydrophobicContact CG2-CB 4.2Å; I6-F152 PolarHBondContact N-O 3.41Å; A15-F152 HydrophobicContact CB-CD1 4.23Å; L19-F152 HydrophobicContact CD1-CD2 4.39Å; L19-F152 HydrophobicContact CD1-CE2 4.36Å; L19-F152 HydrophobicContact CD2-CE2 4.25Å; L19-F152 HydrophobicContact CD2-CZ 4.16Å; F152-C154 PolarHBondContact O-N 3.37Å; F152-F302 CarbonylContact C-O 3.51Å; F152-F302 HydrophobicContact CD1-CB 4.21Å; F152-F302 HydrophobicContact CD1-CD2 4.5Å; F152-F302 HydrophobicContact CD2-CD2 4Å; F152-F302 HydrophobicContact CE1-CB 4.43Å; F152-F302 HydrophobicContact CE1-CD2 4.19Å; F152-F302 HydrophobicContact CE1-CG 4.45Å; F152-F302 AromaticContact CE2-CD2 3.63Å; F152-F302 HydrophobicContact CE2-CD2 3.63Å; F152-F302 HydrophobicContact CE2-CE2 4.09Å; F152-F302 HydrophobicContact CG-CB 4.38Å; F152-F302 HydrophobicContact CG-CD2 4.41Å; F152-F302 AromaticContact CZ-CD2 3.73Å; F152-F302 HydrophobicContact CZ-CD2 3.73Å; F152-F302 HydrophobicContact CZ-CE2 4.16Å; F152-F302 HydrophobicContact CZ-CG 4.41Å; F152-I304 HydrophobicContact CD1-CD1 4.17Å; F152-I304 HydrophobicContact CD1-CG1 3.96Å; F152-I304 HydrophobicContact CE1-CD1 4.48Å; F152-A323 HydrophobicContact CE1-CB 3.58Å; F152-A323 HydrophobicContact CZ-CB 3.7Å; F152-L327 HydrophobicContact CE2-CD1 3.85Å; F152-L327 HydrophobicContact CZ-CD1 4.09Å |
| 153 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 102.9 | 177 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | I6 V151 N155 F270 F272 L301 F302 F303 I304 | I6-V153 HydrophobicContact CD1-CG2 4.36Å; V151-V153 HydrophobicContact CG1-CG2 4.3Å; V153-N155 WeakPolarHBondContact CG1-OD1 3.48Å; V153-F270 HydrophobicContact CG1-CD1 3.95Å; V153-F270 HydrophobicContact CG1-CE1 3.95Å; V153-F272 HydrophobicContact CG1-CE2 4.06Å; V153-F272 HydrophobicContact CG1-CZ 3.79Å; V153-F272 HydrophobicContact CG2-CE2 4.24Å; V153-L301 HydrophobicContact CG2-CD1 3.61Å; V153-F302 WeakPolarHBondContact CB-O 3.22Å; V153-F302 PolarHBondContact N-O 3.45Å; V153-F303 HydrophobicContact CB-CD1 3.61Å; V153-F303 HydrophobicContact CB-CE1 3.89Å; V153-F303 HydrophobicContact CB-CG 4.12Å; V153-F303 HydrophobicContact CG1-CD1 3.61Å; V153-F303 HydrophobicContact CG1-CE1 3.75Å; V153-F303 HydrophobicContact CG2-CD1 4.1Å; V153-F303 HydrophobicContact CG2-CE1 3.91Å; V153-F303 HydrophobicContact CG2-CZ 4.2Å; V153-I304 PolarHBondContact O-N 2.97Å |
| 154 | C | 98.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | trans | -122 | 19 | -176.4 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | V5 I6 A11 F152 G156 | V5-C154 HydrophobicContact CG1-CB 4.22Å; I6-C154 CarbonylContact O-C 3.43Å; I6-C154 WeakPolarHBondContact O-CA 3.4Å; I6-C154 VanDerWaalsContact O-CB 3.3Å; I6-C154 WeakPolarHBondContact O-CB 3.46Å; I6-C154 PolarHBondContact O-N 3.33Å; A11-C154 HydrophobicContact CB-CB 3.98Å; F152-C154 PolarHBondContact O-N 3.37Å; C154-G156 PolarHBondContact O-N 2.99Å | ||
| 155 | N | 96.2 | Very high | 95.6 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77 | -5.3 | -172.8 | 71.6 | -70.1 | 0 | 0 | 0 | 114 | I6 V153 | I6-N155 HydrophobicContact CG2-CB 4.1Å; I6-N155 PolarHBondContact O-N 3.31Å; V153-N155 WeakPolarHBondContact CG1-OD1 3.48Å |
| 156 | G | 93.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | trans | 70.6 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C154 | C154-G156 PolarHBondContact O-N 2.99Š| ||
| 157 | H | 91.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 7% | 0.069 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -145.4 | 22.8 | -173.2 | 59.8 | -86.9 | 0 | 0 | 0 | 112.3 | Y266 F268 L306 | H157-Y266 VanDerWaalsContact O-CB 3.28Å; H157-Y266 WeakPolarHBondContact O-CB 3.15Å; H157-F268 HydrophobicContact CB-CD1 4.03Å; H157-F268 HydrophobicContact CB-CE1 4.13Å; H157-F268 HydrophobicContact CB-CG 4.33Å; H157-F268 AromaticContact CD2-CE2 3.97Å; H157-F268 AromaticContact CD2-CZ 3.71Å; H157-F268 AromaticContact CG-CE1 3.86Å; H157-F268 AromaticContact CG-CZ 3.95Å; H157-L306 PolarHBondContact CE1-O 2.77Å |
| 158 | L | 88.8 | Confident | 95.4 | Very high | 70 Ų | 70 | 34.2 Ų | 34.2 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | trans | -108.8 | 30.7 | -173.9 | -59.8 | -179.5 | 0 | 0 | 0 | 112.8 | V56 Y266 | V56-L158 VanDerWaalsContact CG1-O 3.24Å; V56-L158 WeakPolarHBondContact CG1-O 3.37Å; V56-L158 VanDerWaalsContact CG2-O 3.24Å; V56-L158 WeakPolarHBondContact CG2-O 3.45Å; L158-Y266 VanDerWaalsContact C-CD1 3.4Å; L158-Y266 HydrophobicContact CB-CD2 4.37Å; L158-Y266 HydrophobicContact CD2-CD2 3.97Å; L158-Y266 WeakPolarHBondContact O-CD1 3.33Å; L158-Y266 VanDerWaalsContact O-CE1 3.3Å; L158-Y266 WeakPolarHBondContact O-CE1 3.5Å | ||
| 159 | S | 86.5 | Confident | 95.3 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -121.4 | -34.8 | -171.6 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | N53 R180 | N53-S159 VanDerWaalsContact CB-CB 3.47Å; N53-S159 PolarHBondContact ND2-OG 2.65Å; S159-R180 WeakPolarHBondContact O-CD 3.46Å |
| 160 | V | 91.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 43 Ų | 43 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.5 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | Y266 L267 N269 | V160-Y266 CarbonylContact O-C 3.16Å; V160-Y266 WeakPolarHBondContact O-CA 3.47Å; V160-Y266 WeakPolarHBondContact O-CB 3.37Å; V160-Y266 WeakPolarHBondContact O-CD1 3.42Å; V160-L267 HydrophobicContact CB-CB 4.28Å; V160-L267 HydrophobicContact CG1-CB 4.13Å; V160-L267 HydrophobicContact CG1-CD1 4.01Å; V160-L267 HydrophobicContact CG1-CG 4.41Å; V160-L267 PolarHBondContact O-N 2.79Å; V160-N269 HydrophobicContact CB-CB 4.17Å; V160-N269 HydrophobicContact CG2-CB 3.61Å; V160-N269 WeakPolarHBondContact CG2-ND2 3.48Å |
| 161 | P | 94 | Very high | 95.2 | Very high | 17 Ų | 17 | 47 Ų | 47 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.1 | -172.4 | 31.2 | -33.2 | 0 | 0 | 0 | 110.7 | I163 H178 R180 | P161-I163 HydrophobicContact CB-CD1 4.43Å; P161-I163 HydrophobicContact CB-CG1 4.02Å; P161-I163 HydrophobicContact CG-CD1 4.15Å; P161-I163 HydrophobicContact CG-CG1 4.17Å; P161-I163 PolarHBondContact O-N 3.44Å; P161-H178 HydrophobicContact CB-CB 4.21Å; P161-H178 WeakPolarHBondContact CB-ND1 3.5Å; P161-R180 HydrophobicContact CB-CB 4.47Å |
| 162 | K | 94 | Very high | 95.1 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | trans | -89.1 | 91.7 | 171.3 | -177.7 | 174.8 | -173.8 | 172.3 | 0 | 108.3 | P164 T264 G265 L267 D284 | K162-P164 WeakPolarHBondContact O-CD 3.45Å; K162-T264 VanDerWaalsContact O-CB 3.27Å; K162-T264 WeakPolarHBondContact O-CB 3.35Å; K162-T264 PolarHBondContact O-OG1 3.33Å; K162-G265 WeakPolarHBondContact CB-O 3.22Å; K162-G265 PolarHBondContact N-O 2.83Å; K162-L267 HydrophobicContact CB-CD2 3.91Å; K162-L267 HydrophobicContact CB-CG 4.16Å; K162-L267 HydrophobicContact CD-CD2 4.18Å; K162-L267 HydrophobicContact CG-CD2 3.82Å; K162-D284 IonicContact NZ-OD1 3.12Å; K162-D284 PolarHBondContact NZ-OD1 2.92Å; K162-D284 IonicContact NZ-OD2 2.77Å; K162-D284 PolarHBondContact NZ-OD2 2.87Å | ||
| 163 | I | 94.7 | Very high | 95 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 45% | 0.446 | 30% | 0.296 | S | S | . | . | trans | -90.8 | 116 | -177.5 | -57.2 | -174.7 | 0 | 0 | 0 | 109.4 | P161 L262 | P161-I163 HydrophobicContact CB-CD1 4.43Å; P161-I163 HydrophobicContact CB-CG1 4.02Å; P161-I163 HydrophobicContact CG-CD1 4.15Å; P161-I163 HydrophobicContact CG-CG1 4.17Å; P161-I163 PolarHBondContact O-N 3.44Å; I163-L262 HydrophobicContact CG2-CD1 4.06Å | ||
| 164 | P | 94 | Very high | 95 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | trans | -70.8 | 149.4 | 175.7 | 30.5 | -36.2 | 0 | 0 | 0 | 111.4 | K162 I166 L196 L262 T264 | K162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-I166 HydrophobicContact CB-CG1 4.35Å; P164-I166 HydrophobicContact CG-CD1 4.08Å; P164-I166 HydrophobicContact CG-CG1 4.05Å; P164-I166 PolarHBondContact O-N 3.26Å; P164-L196 HydrophobicContact CG-CD2 4.07Å; P164-L262 HydrophobicContact CG-CD2 4.45Å; P164-T264 HydrophobicContact CG-CG2 3.96Å | ||
| 165 | S | 95.2 | Very high | 94.9 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 84% | 0.839 | 32% | 0.321 | S | S | * | . | trans | -74.8 | 115.6 | 165.1 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 166 | I | 96.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | trans | -116.7 | 116.2 | 178.3 | -51.5 | 175.3 | 0 | 0 | 0 | 107.7 | P164 G168 R169 L196 I239 L242 L262 | P164-I166 HydrophobicContact CB-CG1 4.35Å; P164-I166 HydrophobicContact CG-CD1 4.08Å; P164-I166 HydrophobicContact CG-CG1 4.05Å; P164-I166 PolarHBondContact O-N 3.26Å; I166-G168 PolarHBondContact O-N 2.98Å; I166-R169 WeakPolarHBondContact O-CB 3.41Å; I166-R169 PolarHBondContact O-N 3.3Å; I166-L196 HydrophobicContact CD1-CD2 3.83Å; I166-I239 HydrophobicContact CG2-CG2 4.06Å; I166-L242 HydrophobicContact CG2-CD1 4.1Å; I166-L242 HydrophobicContact CG2-CG 3.81Å; I166-L262 HydrophobicContact CD1-CD2 4.06Å | ||
| 167 | P | 98.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 138.3 | 175.2 | -25.9 | 33.4 | 0 | 0 | 0 | 112.1 | R169 E240 R241 L242 | P167-R169 VanDerWaalsContact C-N 3.29Å; P167-R169 PolarHBondContact O-N 3.39Å; P167-E240 WeakPolarHBondContact CD-O 3.41Å; P167-R241 HydrophobicContact CB-CB 3.93Å; P167-R241 CarbonylContact O-C 3.5Å; P167-R241 WeakPolarHBondContact O-CA 3.38Å; P167-R241 WeakPolarHBondContact O-CB 3.44Å; P167-L242 PolarHBondContact O-N 3.27Å |
| 168 | G | 97.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 7.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I166 D170 I171 F172 | I166-G168 PolarHBondContact O-N 2.98Å; G168-D170 PolarHBondContact O-N 3.44Å; G168-I171 WeakPolarHBondContact O-CG1 3.24Å; G168-I171 PolarHBondContact O-N 2.58Å; G168-F172 PolarHBondContact O-N 3.13Å |
| 169 | R | 96.4 | Very high | 95.7 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -55.8 | -36.9 | 174.2 | 178.8 | -175.4 | -179.8 | 96.4 | 8.8 | 113.1 | I166 P167 I171 F172 I176 L242 | I166-R169 WeakPolarHBondContact O-CB 3.41Å; I166-R169 PolarHBondContact O-N 3.3Å; P167-R169 VanDerWaalsContact C-N 3.29Å; P167-R169 PolarHBondContact O-N 3.39Å; R169-I171 VanDerWaalsContact C-N 3.29Å; R169-I171 PolarHBondContact O-N 2.81Å; R169-F172 PolarHBondContact O-N 3.11Å; R169-I176 HydrophobicContact CG-CD1 3.69Å; R169-L242 HydrophobicContact CB-CD1 4.38Å |
| 170 | D | 96.7 | Very high | 96.1 | Very high | 141 Ų | 141 | 53 Ų | 53 | 75% | 0.754 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -68.1 | -24.7 | -179.4 | 58.9 | -53 | 0 | 0 | 0 | 113.6 | G168 | G168-D170 PolarHBondContact O-N 3.44Š|
| 171 | I | 97.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -102.2 | -1.9 | 179.6 | 65.6 | 163.2 | 0 | 0 | 0 | 113.6 | G168 R169 D173 R244 | G168-I171 WeakPolarHBondContact O-CG1 3.24Å; G168-I171 PolarHBondContact O-N 2.58Å; R169-I171 VanDerWaalsContact C-N 3.29Å; R169-I171 PolarHBondContact O-N 2.81Å; I171-D173 PolarHBondContact O-N 3.36Å; I171-R244 WeakPolarHBondContact O-CA 3.49Å; I171-R244 WeakPolarHBondContact O-CG 3.19Å |
| 172 | F | 98.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | trans | -71.2 | 120.3 | -179.9 | -174.3 | -112.3 | 0 | 0 | 0 | 110.1 | G168 R169 G174 I176 L242 E243 I257 I260 | G168-F172 PolarHBondContact O-N 3.13Å; R169-F172 PolarHBondContact O-N 3.11Å; F172-G174 VanDerWaalsContact C-N 3.25Å; F172-G174 WeakPolarHBondContact CD1-O 3.3Å; F172-G174 PolarHBondContact O-N 3.02Å; F172-I176 HydrophobicContact CB-CD1 4.35Å; F172-I176 HydrophobicContact CD1-CD1 3.77Å; F172-I176 HydrophobicContact CD1-CG1 3.57Å; F172-I176 HydrophobicContact CE1-CG1 3.95Å; F172-I176 HydrophobicContact CG-CD1 4.4Å; F172-L242 HydrophobicContact CB-CB 4.29Å; F172-L242 HydrophobicContact CB-CD1 4.22Å; F172-L242 HydrophobicContact CD2-CB 4.25Å; F172-L242 HydrophobicContact CD2-CD2 4.46Å; F172-L242 HydrophobicContact CG-CD1 4.24Å; F172-E243 VanDerWaalsContact CD2-O 3.26Å; F172-E243 WeakPolarHBondContact CD2-O 3.39Å; F172-I257 HydrophobicContact CE2-CD1 3.84Å; F172-I257 HydrophobicContact CE2-CG1 3.84Å; F172-I257 HydrophobicContact CZ-CD1 3.78Å; F172-I257 HydrophobicContact CZ-CG1 3.95Å; F172-I260 HydrophobicContact CD1-CD1 4.34Å; F172-I260 HydrophobicContact CE1-CD1 3.98Å; F172-I260 HydrophobicContact CE1-CG1 4.03Å; F172-I260 HydrophobicContact CZ-CD1 4.1Å; F172-I260 HydrophobicContact CZ-CG1 4.05Å | ||
| 173 | D | 96.8 | Very high | 96.4 | Very high | 92 Ų | 92 | 50 Ų | 50 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | trans | -79.4 | -9.5 | -178.4 | -59.8 | -23.6 | 0 | 0 | 0 | 112.2 | I171 R244 | I171-D173 PolarHBondContact O-N 3.36Å; D173-R244 WeakPolarHBondContact CA-O 3.41Å; D173-R244 WeakPolarHBondContact CB-O 3.2Å; D173-R244 PolarHBondContact N-O 3Å; D173-R244 IonicContact OD1-NE 3.38Å; D173-R244 PolarHBondContact OD1-NE 3.44Å; D173-R244 IonicContact OD1-NH2 2.69Å; D173-R244 IonicContact OD2-NE 3.82Å | ||
| 174 | G | 97.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 49 Ų | 49 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -91.7 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F172 D258 | F172-G174 VanDerWaalsContact C-N 3.25Å; F172-G174 WeakPolarHBondContact CD1-O 3.3Å; F172-G174 PolarHBondContact O-N 3.02Å; G174-D258 WeakPolarHBondContact CA-O 3.29Å |
| 175 | L | 97.2 | Very high | 96.6 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.9 | 177.8 | 175.2 | 66.6 | 0 | 0 | 0 | 111 | M177 M187 F188 D258 A259 I260 | L175-M177 HydrophobicContact CD2-CE 4.43Å; L175-M187 HydrophobicContact CD2-CE 3.47Å; L175-M187 VanDerWaalsContact CD2-CE 3.47Å; L175-M187 HydrophobicContact CD2-SD 4.44Å; L175-F188 HydrophobicContact CD2-CD1 4.48Å; L175-F188 HydrophobicContact CD2-CE1 3.71Å; L175-F188 HydrophobicContact CD2-CZ 4.06Å; L175-D258 PolarHBondContact N-O 2.9Å; L175-A259 HydrophobicContact CB-CB 3.89Å; L175-A259 HydrophobicContact CD2-CB 4.39Å; L175-A259 HydrophobicContact CG-CB 4.5Å; L175-A259 CarbonylContact O-C 3.56Å; L175-A259 VanDerWaalsContact O-CA 3.22Å; L175-A259 WeakPolarHBondContact O-CA 3.43Å; L175-I260 PolarHBondContact O-N 3.27Å |
| 176 | I | 97.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 21% | 0.205 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.9 | 168.1 | -50.6 | 179.6 | 0 | 0 | 0 | 109.3 | R169 F172 L242 I260 L262 | R169-I176 HydrophobicContact CG-CD1 3.69Å; F172-I176 HydrophobicContact CB-CD1 4.35Å; F172-I176 HydrophobicContact CD1-CD1 3.77Å; F172-I176 HydrophobicContact CD1-CG1 3.57Å; F172-I176 HydrophobicContact CE1-CG1 3.95Å; F172-I176 HydrophobicContact CG-CD1 4.4Å; I176-L242 HydrophobicContact CD1-CD1 4.14Å; I176-I260 HydrophobicContact CG1-CD1 4.33Å; I176-I260 HydrophobicContact CG2-CB 4.43Å; I176-L262 HydrophobicContact CG2-CD1 3.93Å; I176-L262 HydrophobicContact CG2-CG 4.2Å |
| 177 | M | 96.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.4 | -176.7 | 177.2 | 178.2 | -71.4 | 0 | 0 | 109.9 | L175 D181 Y182 M187 F188 I260 V261 L262 | L175-M177 HydrophobicContact CD2-CE 4.43Å; M177-D181 HydrophobicContact CG-CB 4.44Å; M177-Y182 HydrophobicContact SD-CD2 4.16Å; M177-M187 HydrophobicContact CE-CE 3.82Å; M177-M187 HydrophobicContact CE-SD 3.48Å; M177-M187 WeakPolarHBondContact CE-SD 3.25Å; M177-M187 HydrophobicContact SD-SD 4.47Å; M177-F188 HydrophobicContact CE-CZ 4.35Å; M177-F188 HydrophobicContact SD-CE2 4.39Å; M177-F188 HydrophobicContact SD-CZ 3.9Å; M177-I260 PolarHBondContact N-O 3.38Å; M177-V261 CarbonylContact O-C 3.29Å; M177-V261 WeakPolarHBondContact O-CA 3.13Å; M177-L262 PolarHBondContact O-N 3.4Å |
| 178 | H | 96.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 150.7 | 165.5 | -171.4 | -89.1 | 0 | 0 | 0 | 109.9 | P161 R180 D181 L262 T264 G265 Y266 | P161-H178 HydrophobicContact CB-CB 4.21Å; P161-H178 WeakPolarHBondContact CB-ND1 3.5Å; H178-R180 WeakPolarHBondContact ND1-CB 3.39Å; H178-R180 PolarHBondContact ND1-N 3.08Å; H178-R180 VanDerWaalsContact ND1-N 3.15Å; H178-R180 PolarHBondContact O-N 3.35Å; H178-D181 PolarHBondContact O-N 3.34Å; H178-L262 HydrophobicContact CB-CB 4.35Å; H178-L262 PolarHBondContact CD2-O 3.31Å; H178-L262 VanDerWaalsContact CD2-O 3.26Å; H178-T264 PolarHBondContact CD2-OG1 3Å; H178-T264 PolarHBondContact NE2-OG1 2.91Å; H178-G265 PolarHBondContact CE1-O 3.47Å; H178-G265 PolarHBondContact NE2-O 2.73Å; H178-Y266 AromaticContact CE1-CE1 3.93Å |
| 179 | T | 96.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56.7 | -18.5 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | D181 Y182 I205 V261 L262 C263 | T179-D181 PolarHBondContact O-N 3.26Å; T179-Y182 PolarHBondContact O-N 3.06Å; T179-I205 HydrophobicContact CG2-CD1 3.49Å; T179-I205 VanDerWaalsContact CG2-CD1 3.49Å; T179-V261 HydrophobicContact CG2-CG1 3.98Å; T179-L262 WeakPolarHBondContact CG2-O 3.46Å; T179-L262 PolarHBondContact N-O 3Å; T179-C263 HydrophobicContact CG2-CB 4.08Å; T179-C263 WeakPolarHBondContact CG2-SG 3.39Å |
| 180 | R | 94.6 | Very high | 96.8 | Very high | 50 Ų | 50 | 50 Ų | 50 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -53.6 | -40.2 | 170.6 | -172.7 | -169.9 | 66 | -179.4 | -7.7 | 112.1 | V56 S159 P161 H178 R183 Y266 | V56-R180 HydrophobicContact CB-CG 4.42Å; V56-R180 HydrophobicContact CG1-CB 4.33Å; V56-R180 HydrophobicContact CG1-CG 3.55Å; S159-R180 WeakPolarHBondContact O-CD 3.46Å; P161-R180 HydrophobicContact CB-CB 4.47Å; H178-R180 WeakPolarHBondContact ND1-CB 3.39Å; H178-R180 PolarHBondContact ND1-N 3.08Å; H178-R180 VanDerWaalsContact ND1-N 3.15Å; H178-R180 PolarHBondContact O-N 3.35Å; R180-R183 PolarHBondContact O-NH1 2.69Å; R180-Y266 WeakPolarHBondContact CA-OH 3.2Å; R180-Y266 HydrophobicContact CB-CE1 3.96Å; R180-Y266 HydrophobicContact CG-CE1 4.25Å; R180-Y266 PolarHBondContact N-OH 3.1Å |
| 181 | D | 94.4 | Very high | 96.8 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -104.8 | 1 | -171.6 | -56.4 | -35.3 | 0 | 0 | 0 | 111.9 | V46 M177 H178 T179 | V46-D181 HydrophobicContact CB-CB 4.24Å; V46-D181 HydrophobicContact CG1-CB 3.98Å; V46-D181 WeakPolarHBondContact CG1-O 3.45Å; M177-D181 HydrophobicContact CG-CB 4.44Å; H178-D181 PolarHBondContact O-N 3.34Å; T179-D181 PolarHBondContact O-N 3.26Å |
| 182 | Y | 95.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | trans | -76.9 | 137.6 | 174.5 | 178.4 | -89.6 | 0 | 0 | 0 | 110.5 | Y58 M177 T179 P185 F188 I205 E208 L209 | Y58-Y182 HydrophobicContact CD1-CD1 4.47Å; Y58-Y182 HydrophobicContact CD2-CE1 4.27Å; Y58-Y182 HydrophobicContact CG-CD1 4.05Å; Y58-Y182 HydrophobicContact CG-CE1 4.1Å; M177-Y182 HydrophobicContact SD-CD2 4.16Å; T179-Y182 PolarHBondContact O-N 3.06Å; Y182-P185 WeakPolarHBondContact OH-CB 3.11Å; Y182-F188 AromaticContact CD2-CE2 3.78Å; Y182-F188 HydrophobicContact CD2-CE2 3.78Å; Y182-F188 HydrophobicContact CD2-CZ 4.32Å; Y182-F188 HydrophobicContact CE2-CD2 4.2Å; Y182-F188 AromaticContact CE2-CE2 3.68Å; Y182-F188 HydrophobicContact CE2-CE2 3.68Å; Y182-I205 HydrophobicContact CD1-CD1 3.81Å; Y182-I205 HydrophobicContact CD1-CG1 4.07Å; Y182-I205 HydrophobicContact CD2-CG2 4.33Å; Y182-I205 HydrophobicContact CE1-CD1 4.14Å; Y182-I205 HydrophobicContact CE1-CG1 3.86Å; Y182-I205 HydrophobicContact CE1-CG2 4.25Å; Y182-I205 HydrophobicContact CE2-CG2 3.9Å; Y182-I205 HydrophobicContact CG-CD1 4.17Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.24Å; Y182-E208 PolarHBondContact OH-OE2 3.4Å; Y182-L209 HydrophobicContact CE2-CD2 4.27Å | ||
| 183 | R | 96.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | trans | -127.1 | -45.9 | 179.4 | -66.3 | -63.1 | 176.5 | -94.1 | 4.6 | 113.2 | Y42 T43 R45 P55 Y58 K59 R180 | Y42-R183 HydrophobicContact CE2-CB 4.41Å; T43-R183 VanDerWaalsContact O-CD 3.27Å; T43-R183 WeakPolarHBondContact O-CD 3.4Å; T43-R183 PolarHBondContact O-NE 3.39Å; R45-R183 PolarHBondContact O-NH2 3.35Å; P55-R183 PolarHBondContact O-NH2 3.38Å; Y58-R183 WeakPolarHBondContact CB-O 3.43Å; K59-R183 VanDerWaalsContact CB-O 3.28Å; K59-R183 WeakPolarHBondContact CB-O 2.9Å; K59-R183 PolarHBondContact N-O 2.95Å; R180-R183 PolarHBondContact O-NH1 2.69Å | ||
| 184 | E | 96.4 | Very high | 97 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | trans | -157.1 | 165.6 | -179.5 | 64.5 | 174.8 | -156.4 | 0 | 0 | 109.6 | K59 A186 | K59-E184 HydrophobicContact CB-CB 4.48Å; K59-E184 HydrophobicContact CD-CB 4.35Å; K59-E184 VanDerWaalsContact CD-OE2 3.27Å; K59-E184 WeakPolarHBondContact CD-OE2 3.28Å; K59-E184 IonicContact NZ-OE2 3.63Å; K59-E184 PolarHBondContact NZ-OE2 3.15Å; E184-A186 HydrophobicContact CG-CB 4.46Å; E184-A186 PolarHBondContact O-N 2.89Å | ||
| 185 | P | 96.9 | Very high | 97 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -88.3 | -9.6 | -166.6 | 37.4 | -35.6 | 0 | 0 | 0 | 112 | Y182 M187 F188 E208 L209 V212 | Y182-P185 WeakPolarHBondContact OH-CB 3.11Å; P185-M187 VanDerWaalsContact C-N 3.26Å; P185-M187 PolarHBondContact O-N 3.11Å; P185-M187 VanDerWaalsContact O-N 3.08Å; P185-F188 WeakPolarHBondContact O-CB 3.01Å; P185-F188 PolarHBondContact O-N 3.49Å; P185-E208 HydrophobicContact CB-CG 4.02Å; P185-E208 VanDerWaalsContact CD-OE1 3.28Å; P185-E208 WeakPolarHBondContact CD-OE1 3.5Å; P185-E208 HydrophobicContact CG-CG 3.81Å; P185-L209 HydrophobicContact CB-CD2 4.04Å; P185-V212 HydrophobicContact CB-CG2 3.71Å; P185-V212 HydrophobicContact CG-CG1 4.35Å; P185-V212 HydrophobicContact CG-CG2 4.33Å; P185-V212 WeakPolarHBondContact O-CG2 3.44Å |
| 186 | A | 96.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -53.8 | -37.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114 | E184 F188 K189 | E184-A186 HydrophobicContact CG-CB 4.46Å; E184-A186 PolarHBondContact O-N 2.89Å; A186-F188 PolarHBondContact O-N 3.42Å; A186-K189 WeakPolarHBondContact O-CB 3.28Å; A186-K189 PolarHBondContact O-N 3.32Å |
| 187 | M | 96.1 | Very high | 97 | Very high | 97 Ų | 97 | 36.4 Ų | 36.4 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -67.4 | -17.4 | 179 | 69.7 | -176 | -57.4 | 0 | 0 | 114.1 | L175 M177 P185 M191 | L175-M187 HydrophobicContact CD2-CE 3.47Å; L175-M187 VanDerWaalsContact CD2-CE 3.47Å; L175-M187 HydrophobicContact CD2-SD 4.44Å; M177-M187 HydrophobicContact CE-CE 3.82Å; M177-M187 HydrophobicContact CE-SD 3.48Å; M177-M187 WeakPolarHBondContact CE-SD 3.25Å; M177-M187 HydrophobicContact SD-SD 4.47Å; P185-M187 VanDerWaalsContact C-N 3.26Å; P185-M187 PolarHBondContact O-N 3.11Å; P185-M187 VanDerWaalsContact O-N 3.08Å; M187-M191 WeakPolarHBondContact O-CE 3.44Å |
| 188 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -94.5 | 5.6 | 179.7 | -58.4 | -84 | 0 | 0 | 0 | 113 | L175 M177 Y182 P185 A186 G190 M191 V193 L209 A259 V261 | L175-F188 HydrophobicContact CD2-CD1 4.48Å; L175-F188 HydrophobicContact CD2-CE1 3.71Å; L175-F188 HydrophobicContact CD2-CZ 4.06Å; M177-F188 HydrophobicContact CE-CZ 4.35Å; M177-F188 HydrophobicContact SD-CE2 4.39Å; M177-F188 HydrophobicContact SD-CZ 3.9Å; Y182-F188 AromaticContact CD2-CE2 3.78Å; Y182-F188 HydrophobicContact CD2-CE2 3.78Å; Y182-F188 HydrophobicContact CD2-CZ 4.32Å; Y182-F188 HydrophobicContact CE2-CD2 4.2Å; Y182-F188 AromaticContact CE2-CE2 3.68Å; Y182-F188 HydrophobicContact CE2-CE2 3.68Å; P185-F188 WeakPolarHBondContact O-CB 3.01Å; P185-F188 PolarHBondContact O-N 3.49Å; A186-F188 PolarHBondContact O-N 3.42Å; F188-G190 PolarHBondContact O-N 2.98Å; F188-M191 HydrophobicContact CD1-SD 4.33Å; F188-M191 WeakPolarHBondContact O-CB 3.13Å; F188-M191 PolarHBondContact O-N 2.78Å; F188-V193 HydrophobicContact CB-CG2 3.98Å; F188-V193 HydrophobicContact CD1-CG1 4.13Å; F188-V193 HydrophobicContact CD1-CG2 3.78Å; F188-V193 HydrophobicContact CE1-CG1 4.36Å; F188-V193 HydrophobicContact CG-CG2 4.25Å; F188-L209 HydrophobicContact CB-CD2 3.59Å; F188-L209 HydrophobicContact CD1-CD2 4.33Å; F188-L209 HydrophobicContact CD2-CD2 3.43Å; F188-L209 VanDerWaalsContact CD2-CD2 3.43Å; F188-L209 HydrophobicContact CE2-CD2 4.18Å; F188-L209 HydrophobicContact CG-CD2 3.52Å; F188-A259 HydrophobicContact CD1-CB 3.93Å; F188-A259 HydrophobicContact CE1-CB 3.88Å; F188-V261 HydrophobicContact CE1-CG2 3.74Å; F188-V261 HydrophobicContact CZ-CG2 3.69Å |
| 189 | K | 98.2 | Very high | 96.5 | Very high | 167 Ų | 167 | 36.2 Ų | 36.2 | 73% | 0.726 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 123.5 | -178 | -175.5 | 176 | -178.7 | 175.7 | 0 | 111.5 | A186 M191 V212 | A186-K189 WeakPolarHBondContact O-CB 3.28Å; A186-K189 PolarHBondContact O-N 3.32Å; K189-M191 PolarHBondContact O-N 3.48Å; K189-V212 WeakPolarHBondContact CA-O 3.44Å; K189-V212 HydrophobicContact CB-CB 4.48Å |
| 190 | G | 98.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 50% | 0.495 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -5.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F188 V212 S214 | F188-G190 PolarHBondContact O-N 2.98Å; G190-V212 PolarHBondContact N-O 3.32Å; G190-S214 VanDerWaalsContact O-CB 3.31Å; G190-S214 WeakPolarHBondContact O-CB 3.41Å; G190-S214 PolarHBondContact O-OG 3.09Å |
| 191 | M | 98.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 30% | 0.3 | 22% | 0.223 | S | C | . | . | trans | -76.1 | 158 | 179.2 | -65.1 | -176.3 | -178.7 | 0 | 0 | 112.1 | M187 F188 K189 V193 A213 S214 D258 A259 | M187-M191 WeakPolarHBondContact O-CE 3.44Å; F188-M191 HydrophobicContact CD1-SD 4.33Å; F188-M191 WeakPolarHBondContact O-CB 3.13Å; F188-M191 PolarHBondContact O-N 2.78Å; K189-M191 PolarHBondContact O-N 3.48Å; M191-V193 HydrophobicContact CB-CG2 3.94Å; M191-A213 WeakPolarHBondContact O-CB 3.49Å; M191-S214 PolarHBondContact O-N 3.08Å; M191-S214 PolarHBondContact O-OG 2.75Å; M191-S214 VanDerWaalsContact O-OG 3.1Å; M191-D258 HydrophobicContact CB-CB 4.13Å; M191-D258 HydrophobicContact CG-CB 4.27Å; M191-A259 HydrophobicContact SD-CB 4.21Å | ||
| 192 | R | 98.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 37 Ų | 37 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.7 | 163.3 | -58.7 | 164.1 | -64.5 | 177.6 | 10.8 | 107.9 | K215 I257 D258 A259 | R192-K215 CarbonylContact C-O 3.52Å; R192-K215 WeakPolarHBondContact CA-O 3.2Å; R192-K215 HydrophobicContact CB-CB 4.31Å; R192-K215 HydrophobicContact CG-CB 4.04Å; R192-I257 WeakPolarHBondContact O-CA 3.44Å; R192-D258 WeakPolarHBondContact CB-OD2 3.17Å; R192-D258 IonicContact CZ-OD1 2.99Å; R192-D258 IonicContact CZ-OD2 3.46Å; R192-D258 PolarHBondContact N-OD2 3.3Å; R192-D258 IonicContact NE-OD1 3.23Å; R192-D258 IonicContact NE-OD2 3.74Å; R192-D258 PolarHBondContact NE-OD2 3.05Å; R192-D258 IonicContact NH2-OD1 3.07Å; R192-D258 PolarHBondContact NH2-OD1 3.37Å; R192-D258 IonicContact NH2-OD2 2.75Å; R192-D258 PolarHBondContact O-N 2.93Å; R192-A259 PolarHBondContact O-N 3.45Å |
| 193 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.5 | -170.6 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | F188 M191 L209 A213 K215 V216 Y217 A259 V261 | F188-V193 HydrophobicContact CB-CG2 3.98Å; F188-V193 HydrophobicContact CD1-CG1 4.13Å; F188-V193 HydrophobicContact CD1-CG2 3.78Å; F188-V193 HydrophobicContact CE1-CG1 4.36Å; F188-V193 HydrophobicContact CG-CG2 4.25Å; M191-V193 HydrophobicContact CB-CG2 3.94Å; V193-L209 HydrophobicContact CB-CD1 4.42Å; V193-L209 HydrophobicContact CG1-CD1 3.89Å; V193-A213 HydrophobicContact CG2-CB 4.08Å; V193-K215 PolarHBondContact N-O 3.46Å; V193-V216 CarbonylContact O-C 3.44Å; V193-V216 WeakPolarHBondContact O-CA 3.27Å; V193-Y217 PolarHBondContact O-N 3.19Å; V193-A259 WeakPolarHBondContact CA-O 3.46Å; V193-A259 HydrophobicContact CG1-CB 4.28Å; V193-A259 HydrophobicContact CG2-CB 4.4Å; V193-V261 HydrophobicContact CG1-CG2 3.87Å |
| 194 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y217 I239 I257 A259 I260 V261 | A194-Y217 CarbonylContact C-O 3.58Å; A194-Y217 WeakPolarHBondContact CA-O 3.4Å; A194-I239 HydrophobicContact CB-CD1 4.11Å; A194-I257 HydrophobicContact CB-CD1 4.08Å; A194-I257 HydrophobicContact CB-CG2 4.15Å; A194-A259 PolarHBondContact N-O 3.29Å; A194-I260 CarbonylContact O-C 3.51Å; A194-I260 VanDerWaalsContact O-CA 3.26Å; A194-I260 WeakPolarHBondContact O-CA 3.23Å; A194-V261 PolarHBondContact O-N 3.38Å |
| 195 | C | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.6 | 168.8 | -68.9 | 0 | 0 | 0 | 0 | 109 | S206 L209 Y217 L218 C219 V261 | C195-S206 VanDerWaalsContact CB-OG 3.31Å; C195-S206 WeakPolarHBondContact CB-OG 3.24Å; C195-S206 PolarHBondContact SG-OG 2.99Å; C195-L209 VanDerWaalsContact SG-CD1 3.58Å; C195-Y217 PolarHBondContact N-O 3.26Å; C195-L218 HydrophobicContact CB-CD1 4.26Å; C195-C219 PolarHBondContact O-N 3.47Å; C195-V261 CarbonylContact C-O 3.6Å; C195-V261 WeakPolarHBondContact CA-O 3.47Å |
| 196 | L | 98 | Very high | 95.9 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 107.2 | 178.9 | -177.4 | 63.5 | 0 | 0 | 0 | 110.6 | P164 I166 C219 I239 V261 L262 C263 T264 | P164-L196 HydrophobicContact CG-CD2 4.07Å; I166-L196 HydrophobicContact CD1-CD2 3.83Å; L196-C219 HydrophobicContact CD1-CB 4.16Å; L196-I239 HydrophobicContact CD1-CB 4.37Å; L196-I239 HydrophobicContact CD1-CD1 4.45Å; L196-I239 HydrophobicContact CD1-CG1 4.3Å; L196-V261 PolarHBondContact N-O 2.73Å; L196-L262 HydrophobicContact CB-CD2 4.23Å; L196-L262 HydrophobicContact CD2-CD2 3.9Å; L196-C263 CarbonylContact O-C 3.58Å; L196-C263 VanDerWaalsContact O-C 3.28Å; L196-C263 VanDerWaalsContact O-CA 3.26Å; L196-C263 WeakPolarHBondContact O-CA 3.48Å; L196-C263 VanDerWaalsContact O-CB 3.31Å; L196-C263 WeakPolarHBondContact O-CB 3.45Å; L196-C263 PolarHBondContact O-N 3.38Å; L196-T264 HydrophobicContact CD2-CG2 4.05Å; L196-T264 HydrophobicContact CG-CG2 4.05Å |
| 197 | G | 95.7 | Very high | 95.8 | Very high | 16 Ų | 16 | 33 Ų | 33 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | trans | 110.2 | 135.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G202 C219 C263 | G197-G202 WeakPolarHBondContact O-CA 3.21Å; G197-C219 PolarHBondContact N-O 3.12Å; G197-C263 WeakPolarHBondContact O-CB 3.47Å | ||
| 198 | A | 93 | Very high | 95.8 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -112.1 | 31 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I203 L218 H220 | A198-I203 WeakPolarHBondContact O-CD1 3.41Å; A198-L218 HydrophobicContact CB-CD1 4.05Å; A198-L218 HydrophobicContact CB-CD2 4.39Å; A198-L218 HydrophobicContact CB-CG 4.35Å; A198-H220 HydrophobicContact CB-CB 3.94Å; A198-H220 VanDerWaalsContact CB-CD2 3.46Å; A198-H220 WeakPolarHBondContact CB-CD2 3.32Å | ||
| 199 | G | 90 | Very high | 95.7 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 19% | 0.186 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -68.5 | -175.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S201 G202 I203 | G199-S201 PolarHBondContact O-N 3.09Å; G199-G202 PolarHBondContact O-N 3.16Å; G199-I203 PolarHBondContact O-N 2.96Å |
| 200 | P | 89.9 | Confident | 95.6 | Very high | 68 Ų | 68 | 22.2 Ų | 22.2 | 44% | 0.442 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -50.6 | -50.6 | -178.5 | -27.9 | 34.9 | 0 | 0 | 0 | 113.8 | G202 I203 D204 | P200-G202 VanDerWaalsContact C-N 3.35Å; P200-G202 PolarHBondContact O-N 2.93Å; P200-I203 PolarHBondContact O-N 3.41Å; P200-D204 WeakPolarHBondContact O-CB 3.24Å; P200-D204 PolarHBondContact O-N 3.31Å |
| 201 | S | 92.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 27.7 Ų | 27.7 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 177.6 | -52.7 | 0 | 0 | 0 | 0 | 112.9 | G199 I205 | G199-S201 PolarHBondContact O-N 3.09Å; S201-I205 WeakPolarHBondContact O-CB 3.45Å; S201-I205 WeakPolarHBondContact O-CG1 3.48Å; S201-I205 PolarHBondContact O-N 3.5Å |
| 202 | G | 94.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G197 G199 P200 S206 C263 | G197-G202 WeakPolarHBondContact O-CA 3.21Å; G199-G202 PolarHBondContact O-N 3.16Å; P200-G202 VanDerWaalsContact C-N 3.35Å; P200-G202 PolarHBondContact O-N 2.93Å; G202-S206 WeakPolarHBondContact O-CB 3.33Å; G202-S206 PolarHBondContact O-N 2.62Å; G202-S206 PolarHBondContact O-OG 3.24Å; G202-C263 VanDerWaalsContact CA-SG 3.56Å |
| 203 | I | 93.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -53.9 | 173.8 | -65.7 | 169.8 | 0 | 0 | 0 | 110.3 | A198 G199 P200 I205 S206 L207 L225 L403 | A198-I203 WeakPolarHBondContact O-CD1 3.41Å; G199-I203 PolarHBondContact O-N 2.96Å; P200-I203 PolarHBondContact O-N 3.41Å; I203-I205 PolarHBondContact O-N 3.48Å; I203-S206 PolarHBondContact O-N 2.77Å; I203-L207 HydrophobicContact CG2-CD1 4.13Å; I203-L207 WeakPolarHBondContact O-CG 3.42Å; I203-L207 PolarHBondContact O-N 3.2Å; I203-L225 HydrophobicContact CD1-CD2 4.41Å; I203-L403 HydrophobicContact CG2-CD1 4.12Å; I203-L403 HydrophobicContact CG2-CD2 4.25Å |
| 204 | D | 93.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -46.9 | -176.7 | -76.8 | -12.6 | 0 | 0 | 0 | 111.6 | Y58 N64 P200 S206 L207 E208 K407 | Y58-D204 WeakPolarHBondContact OH-CB 3.3Å; Y58-D204 PolarHBondContact OH-OD2 2.97Å; N64-D204 PolarHBondContact OD1-OD2 3.45Å; P200-D204 WeakPolarHBondContact O-CB 3.24Å; P200-D204 PolarHBondContact O-N 3.31Å; D204-S206 PolarHBondContact O-N 2.85Å; D204-L207 PolarHBondContact O-N 3.19Å; D204-E208 PolarHBondContact O-N 2.85Å; D204-K407 VanDerWaalsContact CG-NZ 3.33Å; D204-K407 IonicContact OD1-NZ 3.45Å; D204-K407 PolarHBondContact OD1-NZ 3.27Å; D204-K407 IonicContact OD2-NZ 2.77Å; D204-K407 PolarHBondContact OD2-NZ 3.29Å; D204-K407 VanDerWaalsContact OD2-NZ 3.12Å |
| 205 | I | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.4 | -35.1 | -179.9 | -67.5 | 169.2 | 0 | 0 | 0 | 111 | Y58 T179 Y182 S201 I203 L207 E208 L209 V261 | Y58-I205 HydrophobicContact CE1-CD1 4.46Å; Y58-I205 HydrophobicContact CE1-CG1 4.46Å; T179-I205 HydrophobicContact CG2-CD1 3.49Å; T179-I205 VanDerWaalsContact CG2-CD1 3.49Å; Y182-I205 HydrophobicContact CD1-CD1 3.81Å; Y182-I205 HydrophobicContact CD1-CG1 4.07Å; Y182-I205 HydrophobicContact CD2-CG2 4.33Å; Y182-I205 HydrophobicContact CE1-CD1 4.14Å; Y182-I205 HydrophobicContact CE1-CG1 3.86Å; Y182-I205 HydrophobicContact CE1-CG2 4.25Å; Y182-I205 HydrophobicContact CE2-CG2 3.9Å; Y182-I205 HydrophobicContact CG-CD1 4.17Å; S201-I205 WeakPolarHBondContact O-CB 3.45Å; S201-I205 WeakPolarHBondContact O-CG1 3.48Å; S201-I205 PolarHBondContact O-N 3.5Å; I203-I205 PolarHBondContact O-N 3.48Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 PolarHBondContact O-N 3.39Å; I205-E208 PolarHBondContact O-N 3.12Å; I205-L209 HydrophobicContact CG2-CD1 3.66Å; I205-L209 HydrophobicContact CG2-CG 3.95Å; I205-L209 VanDerWaalsContact O-CB 3.29Å; I205-L209 WeakPolarHBondContact O-CB 3.44Å; I205-L209 WeakPolarHBondContact O-CG 3.48Å; I205-L209 PolarHBondContact O-N 2.86Å; I205-V261 HydrophobicContact CG2-CG1 4.34Å |
| 206 | S | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | C195 G202 I203 D204 S210 I233 | C195-S206 VanDerWaalsContact CB-OG 3.31Å; C195-S206 WeakPolarHBondContact CB-OG 3.24Å; C195-S206 PolarHBondContact SG-OG 2.99Å; G202-S206 WeakPolarHBondContact O-CB 3.33Å; G202-S206 PolarHBondContact O-N 2.62Å; G202-S206 PolarHBondContact O-OG 3.24Å; I203-S206 PolarHBondContact O-N 2.77Å; D204-S206 PolarHBondContact O-N 2.85Å; S206-S210 WeakPolarHBondContact O-CB 3.43Å; S206-S210 PolarHBondContact O-N 3.14Å; S206-S210 VanDerWaalsContact O-N 3.14Å; S206-I233 WeakPolarHBondContact O-CD1 3.42Å |
| 207 | L | 94.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 29.6 Ų | 29.6 | 19% | 0.188 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 173.2 | -69.1 | 170.1 | 0 | 0 | 0 | 111.1 | I203 D204 I205 S210 L229 I233 | I203-L207 HydrophobicContact CG2-CD1 4.13Å; I203-L207 WeakPolarHBondContact O-CG 3.42Å; I203-L207 PolarHBondContact O-N 3.2Å; D204-L207 PolarHBondContact O-N 3.19Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 PolarHBondContact O-N 3.39Å; L207-S210 WeakPolarHBondContact O-CB 3.15Å; L207-S210 PolarHBondContact O-N 3.35Å; L207-S210 PolarHBondContact O-OG 3.08Å; L207-L229 HydrophobicContact CD2-CD2 4.36Å; L207-I233 HydrophobicContact CD2-CD1 3.93Å |
| 208 | E | 95.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 177.9 | -173.2 | -178.4 | -169.9 | 0 | 0 | 112.4 | N60 Y182 P185 D204 I205 S210 E211 | N60-E208 WeakPolarHBondContact CB-OE1 3.44Å; N60-E208 PolarHBondContact ND2-OE1 3.44Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.24Å; Y182-E208 PolarHBondContact OH-OE2 3.4Å; P185-E208 HydrophobicContact CB-CG 4.02Å; P185-E208 VanDerWaalsContact CD-OE1 3.28Å; P185-E208 WeakPolarHBondContact CD-OE1 3.5Å; P185-E208 HydrophobicContact CG-CG 3.81Å; D204-E208 PolarHBondContact O-N 2.85Å; I205-E208 PolarHBondContact O-N 3.12Å; E208-S210 PolarHBondContact O-N 3.27Å; E208-E211 WeakPolarHBondContact O-CB 3.08Å; E208-E211 PolarHBondContact O-N 2.98Å |
| 209 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -30.4 | 176 | -73.6 | 172.6 | 0 | 0 | 0 | 112.1 | Y182 P185 F188 V193 C195 I205 E211 V212 A213 V216 V261 | Y182-L209 HydrophobicContact CE2-CD2 4.27Å; P185-L209 HydrophobicContact CB-CD2 4.04Å; F188-L209 HydrophobicContact CB-CD2 3.59Å; F188-L209 HydrophobicContact CD1-CD2 4.33Å; F188-L209 HydrophobicContact CD2-CD2 3.43Å; F188-L209 VanDerWaalsContact CD2-CD2 3.43Å; F188-L209 HydrophobicContact CE2-CD2 4.18Å; F188-L209 HydrophobicContact CG-CD2 3.52Å; V193-L209 HydrophobicContact CB-CD1 4.42Å; V193-L209 HydrophobicContact CG1-CD1 3.89Å; C195-L209 VanDerWaalsContact SG-CD1 3.58Å; I205-L209 HydrophobicContact CG2-CD1 3.66Å; I205-L209 HydrophobicContact CG2-CG 3.95Å; I205-L209 VanDerWaalsContact O-CB 3.29Å; I205-L209 WeakPolarHBondContact O-CB 3.44Å; I205-L209 WeakPolarHBondContact O-CG 3.48Å; I205-L209 PolarHBondContact O-N 2.86Å; L209-E211 PolarHBondContact O-N 2.76Å; L209-E211 VanDerWaalsContact O-N 3.13Å; L209-V212 PolarHBondContact O-N 2.85Å; L209-V212 VanDerWaalsContact O-N 3.08Å; L209-A213 WeakPolarHBondContact O-CB 3.28Å; L209-A213 PolarHBondContact O-N 2.79Å; L209-V216 HydrophobicContact CB-CG2 3.87Å; L209-V261 HydrophobicContact CD1-CG2 4.26Å |
| 210 | S | 96.2 | Very high | 96 | Very high | 21 Ų | 21 | 28 Ų | 28 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -19.8 | -179.7 | 82.2 | 0 | 0 | 0 | 0 | 113.5 | S206 L207 E208 N232 | S206-S210 WeakPolarHBondContact O-CB 3.43Å; S206-S210 PolarHBondContact O-N 3.14Å; S206-S210 VanDerWaalsContact O-N 3.14Å; L207-S210 WeakPolarHBondContact O-CB 3.15Å; L207-S210 PolarHBondContact O-N 3.35Å; L207-S210 PolarHBondContact O-OG 3.08Å; E208-S210 PolarHBondContact O-N 3.27Å; S210-N232 WeakPolarHBondContact CB-OD1 3.38Å; S210-N232 PolarHBondContact O-ND2 3.29Å |
| 211 | E | 96 | Very high | 96.2 | Very high | 163 Ų | 163 | 30 Ų | 30 | 76% | 0.762 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21.3 | 177.3 | -58.5 | -174.2 | 172.9 | 0 | 0 | 113.1 | E208 L209 | E208-E211 WeakPolarHBondContact O-CB 3.08Å; E208-E211 PolarHBondContact O-N 2.98Å; L209-E211 PolarHBondContact O-N 2.76Å; L209-E211 VanDerWaalsContact O-N 3.13Å |
| 212 | V | 97.7 | Very high | 96.1 | Very high | 46 Ų | 46 | 30.6 Ų | 30.6 | 28% | 0.279 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -30.4 | -173.5 | -54.9 | 0 | 0 | 0 | 0 | 114.5 | P185 K189 G190 L209 | P185-V212 HydrophobicContact CB-CG2 3.71Å; P185-V212 HydrophobicContact CG-CG1 4.35Å; P185-V212 HydrophobicContact CG-CG2 4.33Å; P185-V212 WeakPolarHBondContact O-CG2 3.44Å; K189-V212 WeakPolarHBondContact CA-O 3.44Å; K189-V212 HydrophobicContact CB-CB 4.48Å; G190-V212 PolarHBondContact N-O 3.32Å; L209-V212 PolarHBondContact O-N 2.85Å; L209-V212 VanDerWaalsContact O-N 3.08Å |
| 213 | A | 98.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 36 Ų | 36 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | trans | -76.7 | 148.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M191 V193 L209 K215 V216 N232 | M191-A213 WeakPolarHBondContact O-CB 3.49Å; V193-A213 HydrophobicContact CG2-CB 4.08Å; L209-A213 WeakPolarHBondContact O-CB 3.28Å; L209-A213 PolarHBondContact O-N 2.79Å; A213-K215 VanDerWaalsContact C-N 3.33Å; A213-V216 HydrophobicContact CB-CG2 3.89Å; A213-N232 PolarHBondContact O-ND2 3.04Å; A213-N232 VanDerWaalsContact O-ND2 3.08Å | ||
| 214 | S | 98.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -72.8 | -30.4 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | G190 M191 | G190-S214 VanDerWaalsContact O-CB 3.31Å; G190-S214 WeakPolarHBondContact O-CB 3.41Å; G190-S214 PolarHBondContact O-OG 3.09Å; M191-S214 PolarHBondContact O-N 3.08Å; M191-S214 PolarHBondContact O-OG 2.75Å; M191-S214 VanDerWaalsContact O-OG 3.1Å |
| 215 | K | 98.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 21% | 0.213 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 140.5 | 176.1 | -173.4 | 73.4 | -176.6 | -176.5 | 0 | 109.7 | R192 V193 A213 Y217 N232 E234 | R192-K215 CarbonylContact C-O 3.52Å; R192-K215 WeakPolarHBondContact CA-O 3.2Å; R192-K215 HydrophobicContact CB-CB 4.31Å; R192-K215 HydrophobicContact CG-CB 4.04Å; V193-K215 PolarHBondContact N-O 3.46Å; A213-K215 VanDerWaalsContact C-N 3.33Å; K215-Y217 HydrophobicContact CG-CD2 4.33Å; K215-Y217 HydrophobicContact CG-CE1 4.32Å; K215-Y217 HydrophobicContact CG-CE2 3.78Å; K215-N232 WeakPolarHBondContact CD-O 3.36Å; K215-E234 WeakPolarHBondContact CE-OE2 3.14Å; K215-E234 IonicContact NZ-OE2 2.73Å; K215-E234 PolarHBondContact NZ-OE2 2.84Å |
| 216 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.6 | 172.1 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | V193 L209 A213 N232 I233 E234 | V193-V216 CarbonylContact O-C 3.44Å; V193-V216 WeakPolarHBondContact O-CA 3.27Å; L209-V216 HydrophobicContact CB-CG2 3.87Å; A213-V216 HydrophobicContact CB-CG2 3.89Å; V216-N232 PolarHBondContact N-O 3.19Å; V216-I233 HydrophobicContact CB-CG1 4.12Å; V216-I233 CarbonylContact O-C 3.57Å; V216-I233 WeakPolarHBondContact O-CA 3.34Å; V216-E234 PolarHBondContact O-N 3.27Å |
| 217 | Y | 98.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115 | 169.5 | -61.8 | -80.4 | 0 | 0 | 0 | 108.5 | V193 A194 C195 K215 C219 E234 V255 I257 | V193-Y217 PolarHBondContact O-N 3.19Å; A194-Y217 CarbonylContact C-O 3.58Å; A194-Y217 WeakPolarHBondContact CA-O 3.4Å; C195-Y217 PolarHBondContact N-O 3.26Å; K215-Y217 HydrophobicContact CG-CD2 4.33Å; K215-Y217 HydrophobicContact CG-CE1 4.32Å; K215-Y217 HydrophobicContact CG-CE2 3.78Å; Y217-C219 PolarHBondContact O-N 3.44Å; Y217-E234 CarbonylContact C-O 3.55Å; Y217-E234 WeakPolarHBondContact CA-O 3.27Å; Y217-E234 HydrophobicContact CD1-CB 4.17Å; Y217-E234 HydrophobicContact CD1-CG 4.46Å; Y217-E234 HydrophobicContact CE1-CB 4.48Å; Y217-V255 HydrophobicContact CD1-CB 4.44Å; Y217-V255 HydrophobicContact CD1-CG1 4.19Å; Y217-V255 HydrophobicContact CD2-CG2 4.46Å; Y217-V255 HydrophobicContact CE1-CB 4Å; Y217-V255 HydrophobicContact CE1-CG1 3.7Å; Y217-V255 HydrophobicContact CE2-CB 4.07Å; Y217-V255 HydrophobicContact CE2-CG2 4.46Å; Y217-I257 HydrophobicContact CD2-CG2 3.69Å; Y217-I257 HydrophobicContact CE2-CG2 3.85Å |
| 218 | L | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 97.8 | 172.7 | 176 | 61.8 | 0 | 0 | 0 | 108 | C195 A198 L225 L229 I233 E234 E235 T236 | C195-L218 HydrophobicContact CB-CD1 4.26Å; A198-L218 HydrophobicContact CB-CD1 4.05Å; A198-L218 HydrophobicContact CB-CD2 4.39Å; A198-L218 HydrophobicContact CB-CG 4.35Å; L218-L225 HydrophobicContact CD2-CD1 3.67Å; L218-L229 HydrophobicContact CD2-CD1 4.05Å; L218-I233 HydrophobicContact CB-CG2 4.3Å; L218-E234 PolarHBondContact N-O 3.16Å; L218-E235 HydrophobicContact CD2-CG 4.48Å; L218-E235 CarbonylContact O-C 3.54Å; L218-E235 WeakPolarHBondContact O-CA 2.93Å; L218-T236 PolarHBondContact O-N 3.1Å |
| 219 | C | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.6 | -171.7 | -52 | 0 | 0 | 0 | 0 | 111.1 | C195 L196 G197 Y217 T236 V237 I239 | C195-C219 PolarHBondContact O-N 3.47Å; L196-C219 HydrophobicContact CD1-CB 4.16Å; G197-C219 PolarHBondContact N-O 3.12Å; Y217-C219 PolarHBondContact O-N 3.44Å; C219-T236 WeakPolarHBondContact CA-O 3.43Å; C219-T236 HydrophobicContact CB-CG2 4.19Å; C219-T236 WeakPolarHBondContact SG-CG2 3.33Å; C219-V237 WeakPolarHBondContact CB-O 3.44Å; C219-I239 HydrophobicContact CB-CG1 4.19Å |
| 220 | H | 95.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.051 | 32% | 0.315 | C | S | . | . | trans | -157.2 | 167.7 | 174.1 | 60.6 | 104.1 | 0 | 0 | 0 | 111.6 | A198 D222 E235 T236 V237 G238 | A198-H220 HydrophobicContact CB-CB 3.94Å; A198-H220 VanDerWaalsContact CB-CD2 3.46Å; A198-H220 WeakPolarHBondContact CB-CD2 3.32Å; H220-D222 PolarHBondContact ND1-N 3.39Å; H220-E235 IonicContact CE1-OE1 2.75Å; H220-E235 PolarHBondContact CE1-OE1 3.35Å; H220-E235 VanDerWaalsContact CE1-OE1 3.23Å; H220-E235 VanDerWaalsContact NE2-CG 3.26Å; H220-E235 WeakPolarHBondContact NE2-CG 3.28Å; H220-E235 IonicContact NE2-OE1 3.3Å; H220-E235 PolarHBondContact NE2-OE1 3.06Å; H220-E235 VanDerWaalsContact NE2-OE1 3.07Å; H220-T236 PolarHBondContact N-O 3.32Å; H220-V237 CarbonylContact O-C 3.41Å; H220-V237 VanDerWaalsContact O-CA 3.25Å; H220-V237 WeakPolarHBondContact O-CA 3.44Å; H220-G238 PolarHBondContact O-N 3.09Å | ||
| 221 | N | 92.8 | Very high | 91.9 | Very high | 110 Ų | 110 | 65 Ų | 65 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -110.8 | 16.1 | 179.5 | -64.2 | -32.5 | 0 | 0 | 0 | 112.6 | G238 | N221-G238 WeakPolarHBondContact OD1-CA 3.49Å; N221-G238 PolarHBondContact OD1-N 2.78Å |
| 222 | D | 90.2 | Very high | 92 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -89.7 | 173.4 | 179.7 | -57 | -49.5 | 0 | 0 | 0 | 111.2 | H220 G356 Q357 | H220-D222 PolarHBondContact ND1-N 3.39Å; D222-G356 WeakPolarHBondContact CB-O 3.35Å; D222-Q357 HydrophobicContact CB-CB 3.87Å; D222-Q357 WeakPolarHBondContact OD1-CB 3.31Å |
| 223 | D | 88.9 | Confident | 91.9 | Very high | 114 Ų | 114 | 57.7 Ų | 57.7 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 145.8 | 174.3 | -67.4 | -23.9 | 0 | 0 | 0 | 110.9 | G356 | D223-G356 WeakPolarHBondContact CB-O 3.29Å; D223-G356 PolarHBondContact N-O 3.47Å; D223-G356 VanDerWaalsContact OD2-CA 3.31Å; D223-G356 WeakPolarHBondContact OD2-CA 3.31Å |
| 224 | R | 90.1 | Very high | 91.8 | Very high | 145 Ų | 145 | 59.4 Ų | 59.4 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 141.4 | -177.9 | -63.8 | -64 | -60.5 | -157.6 | -6 | 111.8 | A226 E235 | R224-A226 PolarHBondContact O-N 2.89Å; R224-E235 WeakPolarHBondContact CA-OE1 3.44Å; R224-E235 VanDerWaalsContact CZ-O 3.26Å; R224-E235 IonicContact CZ-OE1 3.71Å; R224-E235 IonicContact CZ-OE2 2.99Å; R224-E235 IonicContact NE-OE1 2.73Å; R224-E235 PolarHBondContact NE-OE1 3.15Å; R224-E235 IonicContact NE-OE2 2.88Å; R224-E235 PolarHBondContact NE-OE2 2.87Å; R224-E235 PolarHBondContact NH1-O 2.92Å; R224-E235 IonicContact NH1-OE2 3.93Å; R224-E235 VanDerWaalsContact NH2-CB 3.27Å; R224-E235 VanDerWaalsContact NH2-CD 3.33Å; R224-E235 PolarHBondContact NH2-O 3.49Å; R224-E235 IonicContact NH2-OE2 2.8Å; R224-E235 PolarHBondContact NH2-OE2 3.06Å |
| 225 | L | 87.2 | Confident | 91.7 | Very high | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 133.8 | 173.9 | -62.1 | 176.6 | 0 | 0 | 0 | 110.2 | I203 L218 V227 L229 E235 L403 | I203-L225 HydrophobicContact CD1-CD2 4.41Å; L218-L225 HydrophobicContact CD2-CD1 3.67Å; L225-V227 PolarHBondContact O-N 3.27Å; L225-L229 HydrophobicContact CD1-CD1 3.98Å; L225-L229 HydrophobicContact CD1-CD2 4.32Å; L225-E235 PolarHBondContact N-OE1 3.34Å; L225-L403 HydrophobicContact CD1-CD1 4.19Å; L225-L403 HydrophobicContact CD2-CD1 4.27Å |
| 226 | A | 83.2 | Confident | 91.6 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 74% | 0.744 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -79 | 3.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R224 | R224-A226 PolarHBondContact O-N 2.89Š|
| 227 | V | 83.3 | Confident | 91.6 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -124.2 | 149 | -173.6 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | L225 L229 P400 Q401 L403 | L225-V227 PolarHBondContact O-N 3.27Å; V227-L229 PolarHBondContact O-N 3.08Å; V227-P400 WeakPolarHBondContact CG1-O 3.11Å; V227-Q401 VanDerWaalsContact CG1-O 3.3Å; V227-Q401 WeakPolarHBondContact CG1-O 3.46Å; V227-L403 HydrophobicContact CG2-CB 4.13Å; V227-L403 HydrophobicContact CG2-CD1 3.55Å; V227-L403 HydrophobicContact CG2-CG 3.84Å |
| 228 | S | 77.9 | Confident | 91.5 | Very high | 119 Ų | 119 | 56.4 Ų | 56.4 | 83% | 0.832 | 31% | 0.308 | S | S | * | . | trans | -68.8 | 127.2 | 166.2 | 48.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 229 | L | 84.9 | Confident | 91.5 | Very high | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | trans | -86.5 | 178.1 | 171.4 | -61.6 | 175.3 | 0 | 0 | 0 | 110 | L207 L218 L225 V227 I233 E235 L403 | L207-L229 HydrophobicContact CD2-CD2 4.36Å; L218-L229 HydrophobicContact CD2-CD1 4.05Å; L225-L229 HydrophobicContact CD1-CD1 3.98Å; L225-L229 HydrophobicContact CD1-CD2 4.32Å; V227-L229 PolarHBondContact O-N 3.08Å; L229-I233 HydrophobicContact CB-CB 3.88Å; L229-I233 HydrophobicContact CB-CD1 4.05Å; L229-I233 HydrophobicContact CB-CG2 4.05Å; L229-I233 HydrophobicContact CD1-CB 4.3Å; L229-I233 HydrophobicContact CD1-CG2 3.52Å; L229-I233 HydrophobicContact CG-CG2 4.43Å; L229-E235 HydrophobicContact CD1-CB 4.38Å; L229-L403 HydrophobicContact CD2-CD1 4.34Å | ||
| 230 | A | 86.9 | Confident | 91.5 | Very high | 36 Ų | 36 | 61 Ų | 61 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | trans | -53.7 | 148.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N232 I233 | A230-N232 PolarHBondContact O-N 2.91Å; A230-I233 HydrophobicContact CB-CD1 3.82Å; A230-I233 HydrophobicContact CB-CG1 4.06Å; A230-I233 WeakPolarHBondContact O-CB 3.44Å; A230-I233 PolarHBondContact O-N 2.92Å | ||
| 231 | K | 89.3 | Confident | 91.6 | Very high | 214 Ų | 214 | 64.9 Ų | 64.9 | 93% | 0.93 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.6 | -169.8 | -69.2 | -179 | 179.7 | 178.2 | 0 | 114.5 | ||
| 232 | N | 96.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 0.9 | 177.4 | 64.2 | -26.4 | 0 | 0 | 0 | 113.4 | S210 A213 K215 V216 A230 | S210-N232 WeakPolarHBondContact CB-OD1 3.38Å; S210-N232 PolarHBondContact O-ND2 3.29Å; A213-N232 PolarHBondContact O-ND2 3.04Å; A213-N232 VanDerWaalsContact O-ND2 3.08Å; K215-N232 WeakPolarHBondContact CD-O 3.36Å; V216-N232 PolarHBondContact N-O 3.19Å; A230-N232 PolarHBondContact O-N 2.91Å |
| 233 | I | 96.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.5 | 169.1 | -55.5 | 170.6 | 0 | 0 | 0 | 109.1 | S206 L207 V216 L218 L229 A230 | S206-I233 WeakPolarHBondContact O-CD1 3.42Å; L207-I233 HydrophobicContact CD2-CD1 3.93Å; V216-I233 HydrophobicContact CB-CG1 4.12Å; V216-I233 CarbonylContact O-C 3.57Å; V216-I233 WeakPolarHBondContact O-CA 3.34Å; L218-I233 HydrophobicContact CB-CG2 4.3Å; L229-I233 HydrophobicContact CB-CB 3.88Å; L229-I233 HydrophobicContact CB-CD1 4.05Å; L229-I233 HydrophobicContact CB-CG2 4.05Å; L229-I233 HydrophobicContact CD1-CB 4.3Å; L229-I233 HydrophobicContact CD1-CG2 3.52Å; L229-I233 HydrophobicContact CG-CG2 4.43Å; A230-I233 HydrophobicContact CB-CD1 3.82Å; A230-I233 HydrophobicContact CB-CG1 4.06Å; A230-I233 WeakPolarHBondContact O-CB 3.44Å; A230-I233 PolarHBondContact O-N 2.92Å |
| 234 | E | 96.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 108.9 | 173.5 | -174.7 | 178.6 | 144.3 | 0 | 0 | 109.4 | K215 V216 Y217 L218 R253 | K215-E234 WeakPolarHBondContact CE-OE2 3.14Å; K215-E234 IonicContact NZ-OE2 2.73Å; K215-E234 PolarHBondContact NZ-OE2 2.84Å; V216-E234 PolarHBondContact O-N 3.27Å; Y217-E234 CarbonylContact C-O 3.55Å; Y217-E234 WeakPolarHBondContact CA-O 3.27Å; Y217-E234 HydrophobicContact CD1-CB 4.17Å; Y217-E234 HydrophobicContact CD1-CG 4.46Å; Y217-E234 HydrophobicContact CE1-CB 4.48Å; L218-E234 PolarHBondContact N-O 3.16Å; E234-R253 IonicContact OE1-CZ 3.08Å; E234-R253 IonicContact OE1-NH1 2.6Å; E234-R253 PolarHBondContact OE1-NH1 3.09Å; E234-R253 IonicContact OE1-NH2 3.4Å; E234-R253 PolarHBondContact OE1-NH2 2.89Å; E234-R253 IonicContact OE2-NH2 3.9Å |
| 235 | E | 96.1 | Very high | 93 | Very high | 24 Ų | 24 | 61.5 Ų | 61.5 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.9 | 172.3 | -178.1 | -158.4 | -171.6 | 0 | 0 | 109.2 | L218 H220 R224 L225 L229 | L218-E235 HydrophobicContact CD2-CG 4.48Å; L218-E235 CarbonylContact O-C 3.54Å; L218-E235 WeakPolarHBondContact O-CA 2.93Å; H220-E235 IonicContact CE1-OE1 2.75Å; H220-E235 PolarHBondContact CE1-OE1 3.35Å; H220-E235 VanDerWaalsContact CE1-OE1 3.23Å; H220-E235 VanDerWaalsContact NE2-CG 3.26Å; H220-E235 WeakPolarHBondContact NE2-CG 3.28Å; H220-E235 IonicContact NE2-OE1 3.3Å; H220-E235 PolarHBondContact NE2-OE1 3.06Å; H220-E235 VanDerWaalsContact NE2-OE1 3.07Å; R224-E235 WeakPolarHBondContact CA-OE1 3.44Å; R224-E235 VanDerWaalsContact CZ-O 3.26Å; R224-E235 IonicContact CZ-OE1 3.71Å; R224-E235 IonicContact CZ-OE2 2.99Å; R224-E235 IonicContact NE-OE1 2.73Å; R224-E235 PolarHBondContact NE-OE1 3.15Å; R224-E235 IonicContact NE-OE2 2.88Å; R224-E235 PolarHBondContact NE-OE2 2.87Å; R224-E235 PolarHBondContact NH1-O 2.92Å; R224-E235 IonicContact NH1-OE2 3.93Å; R224-E235 VanDerWaalsContact NH2-CB 3.27Å; R224-E235 VanDerWaalsContact NH2-CD 3.33Å; R224-E235 PolarHBondContact NH2-O 3.49Å; R224-E235 IonicContact NH2-OE2 2.8Å; R224-E235 PolarHBondContact NH2-OE2 3.06Å; L225-E235 PolarHBondContact N-OE1 3.34Å; L229-E235 HydrophobicContact CD1-CB 4.38Å |
| 236 | T | 96.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 172.1 | -172.8 | -164.8 | 0 | 0 | 0 | 0 | 111.6 | L218 C219 H220 L249 | L218-T236 PolarHBondContact O-N 3.1Å; C219-T236 WeakPolarHBondContact CA-O 3.43Å; C219-T236 HydrophobicContact CB-CG2 4.19Å; C219-T236 WeakPolarHBondContact SG-CG2 3.33Å; H220-T236 PolarHBondContact N-O 3.32Å; T236-L249 HydrophobicContact CG2-CD1 3.82Å; T236-L249 HydrophobicContact CG2-CD2 4.39Å; T236-L249 WeakPolarHBondContact OG1-CD1 3.06Å |
| 237 | V | 96.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 165.8 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | C219 H220 L249 H250 D251 | C219-V237 WeakPolarHBondContact CB-O 3.44Å; H220-V237 CarbonylContact O-C 3.41Å; H220-V237 VanDerWaalsContact O-CA 3.25Å; H220-V237 WeakPolarHBondContact O-CA 3.44Å; V237-L249 HydrophobicContact CG2-CB 3.79Å; V237-H250 HydrophobicContact CG2-CB 4.18Å; V237-D251 HydrophobicContact CG2-CB 3.85Å |
| 238 | G | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 163.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H220 N221 L249 H250 | H220-G238 PolarHBondContact O-N 3.09Å; N221-G238 WeakPolarHBondContact OD1-CA 3.49Å; N221-G238 PolarHBondContact OD1-N 2.78Å; G238-L249 CarbonylContact O-C 3.54Å; G238-L249 WeakPolarHBondContact O-CA 3.33Å; G238-H250 PolarHBondContact O-CD2 3.46Å; G238-H250 PolarHBondContact O-N 3.45Å |
| 239 | I | 98.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.7 | 177.6 | -62.1 | 171.9 | 0 | 0 | 0 | 109.5 | I166 A194 L196 C219 L242 A247 L249 | I166-I239 HydrophobicContact CG2-CG2 4.06Å; A194-I239 HydrophobicContact CB-CD1 4.11Å; L196-I239 HydrophobicContact CD1-CB 4.37Å; L196-I239 HydrophobicContact CD1-CD1 4.45Å; L196-I239 HydrophobicContact CD1-CG1 4.3Å; C219-I239 HydrophobicContact CB-CG1 4.19Å; I239-L242 HydrophobicContact CG2-CD2 3.87Å; I239-L242 HydrophobicContact CG2-CG 4.5Å; I239-A247 HydrophobicContact CD1-CB 4.2Å; I239-A247 HydrophobicContact CG1-CB 4.15Å; I239-A247 HydrophobicContact CG2-CB 4.07Å; I239-L249 HydrophobicContact CG1-CD2 4.09Å |
| 240 | E | 98 | Very high | 96.5 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -48.4 | 174.3 | -172.8 | -169.5 | 151.4 | 0 | 0 | 111.5 | P167 V248 | P167-E240 WeakPolarHBondContact CD-O 3.41Å; E240-V248 WeakPolarHBondContact CB-O 3.46Å; E240-V248 PolarHBondContact N-O 3.35Å |
| 241 | R | 98.2 | Very high | 97 | Very high | 92 Ų | 92 | 54.1 Ų | 54.1 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 163.2 | -178.2 | 63.8 | 179.8 | -176.9 | 80.5 | 1 | 111.7 | P167 E243 V248 | P167-R241 HydrophobicContact CB-CB 3.93Å; P167-R241 CarbonylContact O-C 3.5Å; P167-R241 WeakPolarHBondContact O-CA 3.38Å; P167-R241 WeakPolarHBondContact O-CB 3.44Å; R241-E243 IonicContact CZ-OE1 2.77Å; R241-E243 IonicContact NH1-OE1 3.63Å; R241-E243 PolarHBondContact NH1-OE1 2.76Å; R241-E243 IonicContact NH2-OE1 3.64Å; R241-E243 PolarHBondContact NH2-OE1 3.14Å; R241-V248 HydrophobicContact CG-CB 3.8Å; R241-V248 HydrophobicContact CG-CG1 4.45Å; R241-V248 HydrophobicContact CG-CG2 4.31Å; R241-V248 PolarHBondContact N-O 2.72Å; R241-V248 PolarHBondContact O-N 2.78Å |
| 242 | L | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 150.1 | 176.7 | -60.4 | 175.4 | 0 | 0 | 0 | 111.5 | I166 P167 R169 F172 I176 I239 A247 I257 I260 | I166-L242 HydrophobicContact CG2-CD1 4.1Å; I166-L242 HydrophobicContact CG2-CG 3.81Å; P167-L242 PolarHBondContact O-N 3.27Å; R169-L242 HydrophobicContact CB-CD1 4.38Å; F172-L242 HydrophobicContact CB-CB 4.29Å; F172-L242 HydrophobicContact CB-CD1 4.22Å; F172-L242 HydrophobicContact CD2-CB 4.25Å; F172-L242 HydrophobicContact CD2-CD2 4.46Å; F172-L242 HydrophobicContact CG-CD1 4.24Å; I176-L242 HydrophobicContact CD1-CD1 4.14Å; I239-L242 HydrophobicContact CG2-CD2 3.87Å; I239-L242 HydrophobicContact CG2-CG 4.5Å; L242-A247 HydrophobicContact CD2-CB 3.85Å; L242-I257 HydrophobicContact CD2-CD1 4.41Å; L242-I260 HydrophobicContact CD1-CD1 3.42Å; L242-I260 VanDerWaalsContact CD1-CD1 3.42Å; L242-I260 HydrophobicContact CD2-CD1 3.39Å; L242-I260 HydrophobicContact CG-CD1 4.04Å |
| 243 | E | 98.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 162.8 | 168.8 | -61.8 | -175.5 | 172.8 | 0 | 0 | 108.1 | F172 R241 K245 A246 V248 K254 | F172-E243 VanDerWaalsContact CD2-O 3.26Å; F172-E243 WeakPolarHBondContact CD2-O 3.39Å; R241-E243 IonicContact CZ-OE1 2.77Å; R241-E243 IonicContact NH1-OE1 3.63Å; R241-E243 PolarHBondContact NH1-OE1 2.76Å; R241-E243 IonicContact NH2-OE1 3.64Å; R241-E243 PolarHBondContact NH2-OE1 3.14Å; E243-K245 PolarHBondContact O-N 3.16Å; E243-A246 HydrophobicContact CB-CB 4.37Å; E243-A246 PolarHBondContact N-O 3.24Å; E243-A246 PolarHBondContact O-N 3.44Å; E243-V248 HydrophobicContact CG-CG2 4.34Å; E243-K254 WeakPolarHBondContact OE2-CE 3.34Å; E243-K254 IonicContact OE2-NZ 3.15Å; E243-K254 PolarHBondContact OE2-NZ 2.9Å |
| 244 | R | 97.4 | Very high | 97.5 | Very high | 164 Ų | 164 | 54.3 Ų | 54.3 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40 | -41.5 | -173.5 | -60 | -170.3 | 89.6 | 150.5 | 10 | 116.1 | I171 D173 | I171-R244 WeakPolarHBondContact O-CA 3.49Å; I171-R244 WeakPolarHBondContact O-CG 3.19Å; D173-R244 WeakPolarHBondContact CA-O 3.41Å; D173-R244 WeakPolarHBondContact CB-O 3.2Å; D173-R244 PolarHBondContact N-O 3Å; D173-R244 IonicContact OD1-NE 3.38Å; D173-R244 PolarHBondContact OD1-NE 3.44Å; D173-R244 IonicContact OD1-NH2 2.69Å; D173-R244 IonicContact OD2-NE 3.82Å |
| 245 | K | 96.2 | Very high | 97.6 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 59% | 0.591 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -133 | 25.4 | 179.6 | -61.2 | -170.5 | 176 | -174.7 | 0 | 114 | E243 N256 I257 | E243-K245 PolarHBondContact O-N 3.16Å; K245-N256 WeakPolarHBondContact O-CA 3.42Å; K245-I257 CarbonylContact C-O 3.58Å; K245-I257 PolarHBondContact O-N 3.09Å |
| 246 | A | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 159.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E243 K254 V255 | E243-A246 HydrophobicContact CB-CB 4.37Å; E243-A246 PolarHBondContact N-O 3.24Å; E243-A246 PolarHBondContact O-N 3.44Å; A246-K254 HydrophobicContact CB-CD 4.27Å; A246-K254 VanDerWaalsContact CB-CE 3.46Å; A246-K254 HydrophobicContact CB-CG 3.92Å; A246-V255 CarbonylContact C-O 3.55Å; A246-V255 WeakPolarHBondContact CA-O 3.22Å; A246-V255 VanDerWaalsContact CB-O 3.28Å; A246-V255 WeakPolarHBondContact CB-O 3.5Å |
| 247 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.2 | I239 L242 K254 V255 I257 | I239-A247 HydrophobicContact CD1-CB 4.2Å; I239-A247 HydrophobicContact CG1-CB 4.15Å; I239-A247 HydrophobicContact CG2-CB 4.07Å; L242-A247 HydrophobicContact CD2-CB 3.85Å; A247-K254 WeakPolarHBondContact O-CA 3.33Å; A247-V255 HydrophobicContact CB-CG2 4.07Å; A247-V255 PolarHBondContact N-O 3.2Å; A247-V255 PolarHBondContact O-N 3.22Å; A247-I257 HydrophobicContact CB-CD1 3.64Å; A247-I257 HydrophobicContact CB-CG1 4.18Å |
| 248 | V | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.5 | 166.7 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | E240 R241 E243 | E240-V248 WeakPolarHBondContact CB-O 3.46Å; E240-V248 PolarHBondContact N-O 3.35Å; R241-V248 HydrophobicContact CG-CB 3.8Å; R241-V248 HydrophobicContact CG-CG1 4.45Å; R241-V248 HydrophobicContact CG-CG2 4.31Å; R241-V248 PolarHBondContact N-O 2.72Å; R241-V248 PolarHBondContact O-N 2.78Å; E243-V248 HydrophobicContact CG-CG2 4.34Å |
| 249 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 160.1 | -176.2 | -53.6 | -178 | 0 | 0 | 0 | 110.1 | T236 V237 G238 I239 D251 G252 R253 V255 | T236-L249 HydrophobicContact CG2-CD1 3.82Å; T236-L249 HydrophobicContact CG2-CD2 4.39Å; T236-L249 WeakPolarHBondContact OG1-CD1 3.06Å; V237-L249 HydrophobicContact CG2-CB 3.79Å; G238-L249 CarbonylContact O-C 3.54Å; G238-L249 WeakPolarHBondContact O-CA 3.33Å; I239-L249 HydrophobicContact CG1-CD2 4.09Å; L249-D251 WeakPolarHBondContact CB-OD1 3.46Å; L249-D251 PolarHBondContact O-N 2.75Å; L249-D251 VanDerWaalsContact O-N 3.1Å; L249-G252 WeakPolarHBondContact O-CA 3.33Å; L249-G252 PolarHBondContact O-N 3.49Å; L249-R253 WeakPolarHBondContact CB-O 3.26Å; L249-R253 HydrophobicContact CD1-CB 4.34Å; L249-R253 WeakPolarHBondContact CG-O 3.26Å; L249-R253 PolarHBondContact N-O 2.87Å; L249-V255 HydrophobicContact CD1-CG1 3.97Å; L249-V255 HydrophobicContact CD1-CG2 4.33Å; L249-V255 HydrophobicContact CD2-CG2 4.05Å; L249-V255 HydrophobicContact CG-CG2 4.22Å |
| 250 | H | 97.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 54.4 Ų | 54.4 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.7 | -178.9 | -76.8 | -57.1 | 0 | 0 | 0 | 115.2 | V237 G238 G252 | V237-H250 HydrophobicContact CG2-CB 4.18Å; G238-H250 PolarHBondContact O-CD2 3.46Å; G238-H250 PolarHBondContact O-N 3.45Å; H250-G252 VanDerWaalsContact C-N 3.26Å |
| 251 | D | 96.8 | Very high | 98 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 4.9 | 172.4 | 65.1 | 2.7 | 0 | 0 | 0 | 112.6 | V237 L249 R253 | V237-D251 HydrophobicContact CG2-CB 3.85Å; L249-D251 WeakPolarHBondContact CB-OD1 3.46Å; L249-D251 PolarHBondContact O-N 2.75Å; L249-D251 VanDerWaalsContact O-N 3.1Å; D251-R253 VanDerWaalsContact C-N 3.28Å; D251-R253 PolarHBondContact O-N 3.36Å; D251-R253 WeakPolarHBondContact OD1-CB 3.45Å; D251-R253 PolarHBondContact OD1-N 3.26Å |
| 252 | G | 96.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 46 Ų | 46 | 55% | 0.546 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 83.1 | -6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L249 H250 | L249-G252 WeakPolarHBondContact O-CA 3.33Å; L249-G252 PolarHBondContact O-N 3.49Å; H250-G252 VanDerWaalsContact C-N 3.26Å |
| 253 | R | 98.1 | Very high | 97.9 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | trans | -70.4 | 138.1 | 179.1 | -177.1 | 176.8 | 168.9 | -156.1 | -5.5 | 110.9 | E234 L249 D251 V255 | E234-R253 IonicContact OE1-CZ 3.08Å; E234-R253 IonicContact OE1-NH1 2.6Å; E234-R253 PolarHBondContact OE1-NH1 3.09Å; E234-R253 IonicContact OE1-NH2 3.4Å; E234-R253 PolarHBondContact OE1-NH2 2.89Å; E234-R253 IonicContact OE2-NH2 3.9Å; L249-R253 WeakPolarHBondContact CB-O 3.26Å; L249-R253 HydrophobicContact CD1-CB 4.34Å; L249-R253 WeakPolarHBondContact CG-O 3.26Å; L249-R253 PolarHBondContact N-O 2.87Å; D251-R253 VanDerWaalsContact C-N 3.28Å; D251-R253 PolarHBondContact O-N 3.36Å; D251-R253 WeakPolarHBondContact OD1-CB 3.45Å; D251-R253 PolarHBondContact OD1-N 3.26Å; R253-V255 HydrophobicContact CG-CG1 4.38Å | ||
| 254 | K | 98.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 46 Ų | 46 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.7 | 171.8 | -179.6 | 172.4 | 169.6 | 167.1 | 0 | 110.8 | E243 A246 A247 | E243-K254 WeakPolarHBondContact OE2-CE 3.34Å; E243-K254 IonicContact OE2-NZ 3.15Å; E243-K254 PolarHBondContact OE2-NZ 2.9Å; A246-K254 HydrophobicContact CB-CD 4.27Å; A246-K254 VanDerWaalsContact CB-CE 3.46Å; A246-K254 HydrophobicContact CB-CG 3.92Å; A247-K254 WeakPolarHBondContact O-CA 3.33Å |
| 255 | V | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.7 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | Y217 A246 A247 L249 R253 I257 | Y217-V255 HydrophobicContact CD1-CB 4.44Å; Y217-V255 HydrophobicContact CD1-CG1 4.19Å; Y217-V255 HydrophobicContact CD2-CG2 4.46Å; Y217-V255 HydrophobicContact CE1-CB 4Å; Y217-V255 HydrophobicContact CE1-CG1 3.7Å; Y217-V255 HydrophobicContact CE2-CB 4.07Å; Y217-V255 HydrophobicContact CE2-CG2 4.46Å; A246-V255 CarbonylContact C-O 3.55Å; A246-V255 WeakPolarHBondContact CA-O 3.22Å; A246-V255 VanDerWaalsContact CB-O 3.28Å; A246-V255 WeakPolarHBondContact CB-O 3.5Å; A247-V255 HydrophobicContact CB-CG2 4.07Å; A247-V255 PolarHBondContact N-O 3.2Å; A247-V255 PolarHBondContact O-N 3.22Å; L249-V255 HydrophobicContact CD1-CG1 3.97Å; L249-V255 HydrophobicContact CD1-CG2 4.33Å; L249-V255 HydrophobicContact CD2-CG2 4.05Å; L249-V255 HydrophobicContact CG-CG2 4.22Å; R253-V255 HydrophobicContact CG-CG1 4.38Å; V255-I257 HydrophobicContact CG2-CG2 4.22Å |
| 256 | N | 98.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 33.6 Ų | 33.6 | 42% | 0.422 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.2 | 176.6 | -65.5 | -39.3 | 0 | 0 | 0 | 109.4 | K245 | K245-N256 WeakPolarHBondContact O-CA 3.42Å |
| 257 | I | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -140.2 | 148.3 | -176 | 54.9 | 161.6 | 0 | 0 | 0 | 110.3 | F172 R192 A194 Y217 L242 K245 A247 V255 I260 | F172-I257 HydrophobicContact CE2-CD1 3.84Å; F172-I257 HydrophobicContact CE2-CG1 3.84Å; F172-I257 HydrophobicContact CZ-CD1 3.78Å; F172-I257 HydrophobicContact CZ-CG1 3.95Å; R192-I257 WeakPolarHBondContact O-CA 3.44Å; A194-I257 HydrophobicContact CB-CD1 4.08Å; A194-I257 HydrophobicContact CB-CG2 4.15Å; Y217-I257 HydrophobicContact CD2-CG2 3.69Å; Y217-I257 HydrophobicContact CE2-CG2 3.85Å; L242-I257 HydrophobicContact CD2-CD1 4.41Å; K245-I257 CarbonylContact C-O 3.58Å; K245-I257 PolarHBondContact O-N 3.09Å; A247-I257 HydrophobicContact CB-CD1 3.64Å; A247-I257 HydrophobicContact CB-CG1 4.18Å; V255-I257 HydrophobicContact CG2-CG2 4.22Å; I257-I260 HydrophobicContact CD1-CD1 3.95Å; I257-I260 HydrophobicContact CD1-CG1 3.55Å | ||
| 258 | D | 98.3 | Very high | 97 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -107 | -20.8 | 179.5 | -47.4 | -60.3 | 0 | 0 | 0 | 111.1 | G174 L175 M191 R192 | G174-D258 WeakPolarHBondContact CA-O 3.29Å; L175-D258 PolarHBondContact N-O 2.9Å; M191-D258 HydrophobicContact CB-CB 4.13Å; M191-D258 HydrophobicContact CG-CB 4.27Å; R192-D258 WeakPolarHBondContact CB-OD2 3.17Å; R192-D258 IonicContact CZ-OD1 2.99Å; R192-D258 IonicContact CZ-OD2 3.46Å; R192-D258 PolarHBondContact N-OD2 3.3Å; R192-D258 IonicContact NE-OD1 3.23Å; R192-D258 IonicContact NE-OD2 3.74Å; R192-D258 PolarHBondContact NE-OD2 3.05Å; R192-D258 IonicContact NH2-OD1 3.07Å; R192-D258 PolarHBondContact NH2-OD1 3.37Å; R192-D258 IonicContact NH2-OD2 2.75Å; R192-D258 PolarHBondContact O-N 2.93Å |
| 259 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L175 F188 M191 R192 V193 A194 | L175-A259 HydrophobicContact CB-CB 3.89Å; L175-A259 HydrophobicContact CD2-CB 4.39Å; L175-A259 HydrophobicContact CG-CB 4.5Å; L175-A259 CarbonylContact O-C 3.56Å; L175-A259 VanDerWaalsContact O-CA 3.22Å; L175-A259 WeakPolarHBondContact O-CA 3.43Å; F188-A259 HydrophobicContact CD1-CB 3.93Å; F188-A259 HydrophobicContact CE1-CB 3.88Å; M191-A259 HydrophobicContact SD-CB 4.21Å; R192-A259 PolarHBondContact O-N 3.45Å; V193-A259 WeakPolarHBondContact CA-O 3.46Å; V193-A259 HydrophobicContact CG1-CB 4.28Å; V193-A259 HydrophobicContact CG2-CB 4.4Å; A194-A259 PolarHBondContact N-O 3.29Å |
| 260 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.9 | 172.2 | -55.4 | 170.1 | 0 | 0 | 0 | 109 | F172 L175 I176 M177 A194 L242 I257 L262 | F172-I260 HydrophobicContact CD1-CD1 4.34Å; F172-I260 HydrophobicContact CE1-CD1 3.98Å; F172-I260 HydrophobicContact CE1-CG1 4.03Å; F172-I260 HydrophobicContact CZ-CD1 4.1Å; F172-I260 HydrophobicContact CZ-CG1 4.05Å; L175-I260 PolarHBondContact O-N 3.27Å; I176-I260 HydrophobicContact CG1-CD1 4.33Å; I176-I260 HydrophobicContact CG2-CB 4.43Å; M177-I260 PolarHBondContact N-O 3.38Å; A194-I260 CarbonylContact O-C 3.51Å; A194-I260 VanDerWaalsContact O-CA 3.26Å; A194-I260 WeakPolarHBondContact O-CA 3.23Å; L242-I260 HydrophobicContact CD1-CD1 3.42Å; L242-I260 VanDerWaalsContact CD1-CD1 3.42Å; L242-I260 HydrophobicContact CD2-CD1 3.39Å; L242-I260 HydrophobicContact CG-CD1 4.04Å; I257-I260 HydrophobicContact CD1-CD1 3.95Å; I257-I260 HydrophobicContact CD1-CG1 3.55Å; I260-L262 HydrophobicContact CG2-CD2 3.73Å; I260-L262 HydrophobicContact CG2-CG 4.31Å |
| 261 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.7 | 167.6 | -175 | 0 | 0 | 0 | 0 | 108.5 | M177 T179 F188 V193 A194 C195 L196 I205 L209 C263 | M177-V261 CarbonylContact O-C 3.29Å; M177-V261 WeakPolarHBondContact O-CA 3.13Å; T179-V261 HydrophobicContact CG2-CG1 3.98Å; F188-V261 HydrophobicContact CE1-CG2 3.74Å; F188-V261 HydrophobicContact CZ-CG2 3.69Å; V193-V261 HydrophobicContact CG1-CG2 3.87Å; A194-V261 PolarHBondContact O-N 3.38Å; C195-V261 CarbonylContact C-O 3.6Å; C195-V261 WeakPolarHBondContact CA-O 3.47Å; L196-V261 PolarHBondContact N-O 2.73Å; I205-V261 HydrophobicContact CG2-CG1 4.34Å; L209-V261 HydrophobicContact CD1-CG2 4.26Å; V261-C263 PolarHBondContact O-N 2.82Å |
| 262 | L | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 105.6 | 178.7 | -55.7 | 172.5 | 0 | 0 | 0 | 109.1 | I163 P164 I166 I176 M177 H178 T179 L196 I260 T264 | I163-L262 HydrophobicContact CG2-CD1 4.06Å; P164-L262 HydrophobicContact CG-CD2 4.45Å; I166-L262 HydrophobicContact CD1-CD2 4.06Å; I176-L262 HydrophobicContact CG2-CD1 3.93Å; I176-L262 HydrophobicContact CG2-CG 4.2Å; M177-L262 PolarHBondContact O-N 3.4Å; H178-L262 HydrophobicContact CB-CB 4.35Å; H178-L262 PolarHBondContact CD2-O 3.31Å; H178-L262 VanDerWaalsContact CD2-O 3.26Å; T179-L262 WeakPolarHBondContact CG2-O 3.46Å; T179-L262 PolarHBondContact N-O 3Å; L196-L262 HydrophobicContact CB-CD2 4.23Å; L196-L262 HydrophobicContact CD2-CD2 3.9Å; I260-L262 HydrophobicContact CG2-CD2 3.73Å; I260-L262 HydrophobicContact CG2-CG 4.31Å; L262-T264 VanDerWaalsContact C-N 3.27Å; L262-T264 HydrophobicContact CB-CG2 4.4Å; L262-T264 PolarHBondContact O-N 3.43Å |
| 263 | C | 97.1 | Very high | 96.4 | Very high | 13 Ų | 13 | 33 Ų | 33 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | trans | -97.9 | 40.5 | 175.6 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | T179 L196 G197 G202 V261 G265 | T179-C263 HydrophobicContact CG2-CB 4.08Å; T179-C263 WeakPolarHBondContact CG2-SG 3.39Å; L196-C263 CarbonylContact O-C 3.58Å; L196-C263 VanDerWaalsContact O-C 3.28Å; L196-C263 VanDerWaalsContact O-CA 3.26Å; L196-C263 WeakPolarHBondContact O-CA 3.48Å; L196-C263 VanDerWaalsContact O-CB 3.31Å; L196-C263 WeakPolarHBondContact O-CB 3.45Å; L196-C263 PolarHBondContact O-N 3.38Å; G197-C263 WeakPolarHBondContact O-CB 3.47Å; G202-C263 VanDerWaalsContact CA-SG 3.56Å; V261-C263 PolarHBondContact O-N 2.82Å; C263-G265 PolarHBondContact O-N 3.32Å | ||
| 264 | T | 95.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 32.2 Ų | 32.2 | 22% | 0.221 | 17% | 0.171 | C | C | . | . | trans | -94.1 | 9.1 | -165 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | K162 P164 H178 L196 L262 | K162-T264 VanDerWaalsContact O-CB 3.27Å; K162-T264 WeakPolarHBondContact O-CB 3.35Å; K162-T264 PolarHBondContact O-OG1 3.33Å; P164-T264 HydrophobicContact CG-CG2 3.96Å; H178-T264 PolarHBondContact CD2-OG1 3Å; H178-T264 PolarHBondContact NE2-OG1 2.91Å; L196-T264 HydrophobicContact CD2-CG2 4.05Å; L196-T264 HydrophobicContact CG-CG2 4.05Å; L262-T264 VanDerWaalsContact C-N 3.27Å; L262-T264 HydrophobicContact CB-CG2 4.4Å; L262-T264 PolarHBondContact O-N 3.43Å | ||
| 265 | G | 93.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | trans | 83.1 | -162.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | K162 H178 C263 | K162-G265 WeakPolarHBondContact CB-O 3.22Å; K162-G265 PolarHBondContact N-O 2.83Å; H178-G265 PolarHBondContact CE1-O 3.47Å; H178-G265 PolarHBondContact NE2-O 2.73Å; C263-G265 PolarHBondContact O-N 3.32Å | ||
| 266 | Y | 93.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.7 | -171.6 | -62.3 | -88 | 0 | 0 | 0 | 110.7 | V56 H157 L158 V160 H178 R180 R308 | V56-Y266 HydrophobicContact CG1-CE1 4.13Å; H157-Y266 VanDerWaalsContact O-CB 3.28Å; H157-Y266 WeakPolarHBondContact O-CB 3.15Å; L158-Y266 VanDerWaalsContact C-CD1 3.4Å; L158-Y266 HydrophobicContact CB-CD2 4.37Å; L158-Y266 HydrophobicContact CD2-CD2 3.97Å; L158-Y266 WeakPolarHBondContact O-CD1 3.33Å; L158-Y266 VanDerWaalsContact O-CE1 3.3Å; L158-Y266 WeakPolarHBondContact O-CE1 3.5Å; V160-Y266 CarbonylContact O-C 3.16Å; V160-Y266 WeakPolarHBondContact O-CA 3.47Å; V160-Y266 WeakPolarHBondContact O-CB 3.37Å; V160-Y266 WeakPolarHBondContact O-CD1 3.42Å; H178-Y266 AromaticContact CE1-CE1 3.93Å; R180-Y266 WeakPolarHBondContact CA-OH 3.2Å; R180-Y266 HydrophobicContact CB-CE1 3.96Å; R180-Y266 HydrophobicContact CG-CE1 4.25Å; R180-Y266 PolarHBondContact N-OH 3.1Å; Y266-R308 PolarHBondContact O-NH2 3.48Å; Y266-R308 VanDerWaalsContact O-NH2 3.09Å |
| 267 | L | 93.5 | Very high | 95.6 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 39% | 0.393 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.6 | 173.9 | -60 | 178.9 | 0 | 0 | 0 | 110.4 | V160 K162 N269 | V160-L267 HydrophobicContact CB-CB 4.28Å; V160-L267 HydrophobicContact CG1-CB 4.13Å; V160-L267 HydrophobicContact CG1-CD1 4.01Å; V160-L267 HydrophobicContact CG1-CG 4.41Å; V160-L267 PolarHBondContact O-N 2.79Å; K162-L267 HydrophobicContact CB-CD2 3.91Å; K162-L267 HydrophobicContact CB-CG 4.16Å; K162-L267 HydrophobicContact CD-CD2 4.18Å; K162-L267 HydrophobicContact CG-CD2 3.82Å; L267-N269 PolarHBondContact O-N 3.06Å |
| 268 | F | 93.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | trans | -70 | 116.1 | 162.9 | -79.6 | -105.6 | 0 | 0 | 0 | 107.9 | H157 F270 A281 D284 L306 M362 | H157-F268 HydrophobicContact CB-CD1 4.03Å; H157-F268 HydrophobicContact CB-CE1 4.13Å; H157-F268 HydrophobicContact CB-CG 4.33Å; H157-F268 AromaticContact CD2-CE2 3.97Å; H157-F268 AromaticContact CD2-CZ 3.71Å; H157-F268 AromaticContact CG-CE1 3.86Å; H157-F268 AromaticContact CG-CZ 3.95Å; F268-F270 HydrophobicContact CB-CE2 4.04Å; F268-F270 AromaticContact CD1-CE2 3.92Å; F268-F270 HydrophobicContact CD1-CE2 3.92Å; F268-F270 HydrophobicContact CD1-CZ 4.05Å; F268-F270 HydrophobicContact CG-CE2 4.49Å; F268-A281 HydrophobicContact CB-CB 4.35Å; F268-D284 WeakPolarHBondContact CD2-O 3.33Å; F268-D284 VanDerWaalsContact CE2-C 3.44Å; F268-D284 WeakPolarHBondContact CE2-O 3.38Å; F268-L306 HydrophobicContact CE1-CB 4.09Å; F268-L306 HydrophobicContact CE1-CD1 4.41Å; F268-L306 HydrophobicContact CE1-CD2 4.14Å; F268-L306 HydrophobicContact CE1-CG 4.45Å; F268-M362 HydrophobicContact CE1-CG 4.3Å; F268-M362 HydrophobicContact CE2-CG 4.46Å; F268-M362 HydrophobicContact CZ-CB 4.21Å; F268-M362 HydrophobicContact CZ-CG 3.84Å | ||
| 269 | N | 92.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 36.4 Ų | 36.4 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | trans | -136.4 | 121.6 | -178.1 | -178.6 | 42.1 | 0 | 0 | 0 | 110.6 | V160 L267 | V160-N269 HydrophobicContact CB-CB 4.17Å; V160-N269 HydrophobicContact CG2-CB 3.61Å; V160-N269 WeakPolarHBondContact CG2-ND2 3.48Å; L267-N269 PolarHBondContact O-N 3.06Å | ||
| 270 | F | 95.6 | Very high | 95 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | trans | -130.6 | 76.8 | -179.7 | -56.3 | -83.6 | 0 | 0 | 0 | 108.6 | V153 F268 F272 I273 A281 I286 F303 L306 | V153-F270 HydrophobicContact CG1-CD1 3.95Å; V153-F270 HydrophobicContact CG1-CE1 3.95Å; F268-F270 HydrophobicContact CB-CE2 4.04Å; F268-F270 AromaticContact CD1-CE2 3.92Å; F268-F270 HydrophobicContact CD1-CE2 3.92Å; F268-F270 HydrophobicContact CD1-CZ 4.05Å; F268-F270 HydrophobicContact CG-CE2 4.49Å; F270-F272 HydrophobicContact CB-CE2 4.35Å; F270-F272 HydrophobicContact CB-CZ 4.21Å; F270-F272 AromaticContact CD1-CZ 3.93Å; F270-F272 HydrophobicContact CD1-CZ 3.93Å; F270-F272 PolarHBondContact O-N 2.84Å; F270-I273 HydrophobicContact CB-CB 4.08Å; F270-I273 HydrophobicContact CB-CD1 3.73Å; F270-I273 HydrophobicContact CB-CG1 3.92Å; F270-I273 HydrophobicContact CG-CD1 4.13Å; F270-I273 PolarHBondContact O-N 2.85Å; F270-A281 HydrophobicContact CD2-CB 3.96Å; F270-A281 HydrophobicContact CE2-CB 4.43Å; F270-I286 HydrophobicContact CD2-CB 4.24Å; F270-I286 HydrophobicContact CD2-CD1 3.56Å; F270-I286 HydrophobicContact CD2-CG1 4.42Å; F270-I286 HydrophobicContact CE2-CB 3.8Å; F270-I286 HydrophobicContact CE2-CD1 3.88Å; F270-I286 HydrophobicContact CE2-CG1 4.42Å; F270-I286 HydrophobicContact CE2-CG2 3.78Å; F270-I286 HydrophobicContact CG-CD1 4.14Å; F270-I286 HydrophobicContact CZ-CG2 4.18Å; F270-F303 HydrophobicContact CD1-CE1 4.2Å; F270-F303 HydrophobicContact CE1-CD1 4.13Å; F270-F303 HydrophobicContact CE1-CE1 4.13Å; F270-F303 HydrophobicContact CZ-CD1 4.32Å; F270-F303 HydrophobicContact CZ-CE1 4.4Å; F270-L306 HydrophobicContact CE1-CD2 4.22Å; F270-L306 HydrophobicContact CZ-CD1 4.27Å; F270-L306 HydrophobicContact CZ-CD2 3.75Å | ||
| 271 | P | 93.5 | Very high | 94.8 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.5 | -169.8 | 25.2 | -34.4 | 0 | 0 | 0 | 113.4 | K274 | P271-K274 WeakPolarHBondContact O-CE 3.47Å; P271-K274 PolarHBondContact O-NZ 2.88Å |
| 272 | F | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.9 | 175.1 | 51 | -96.6 | 0 | 0 | 0 | 114.1 | I6 V114 V115 R116 L117 V153 F270 | I6-F272 HydrophobicContact CD1-CD2 4.14Å; I6-F272 HydrophobicContact CD1-CE2 3.83Å; I6-F272 HydrophobicContact CD1-CZ 4.19Å; I6-F272 HydrophobicContact CG2-CE1 4.22Å; I6-F272 HydrophobicContact CG2-CZ 4.25Å; V114-F272 HydrophobicContact CG1-CB 3.96Å; V114-F272 HydrophobicContact CG1-CG 4.12Å; V115-F272 WeakPolarHBondContact O-CA 3.38Å; R116-F272 CarbonylContact C-O 3.6Å; R116-F272 WeakPolarHBondContact CA-O 3.3Å; L117-F272 HydrophobicContact CD1-CD2 3.75Å; L117-F272 HydrophobicContact CD1-CE2 4.07Å; L117-F272 HydrophobicContact CG-CD2 3.9Å; L117-F272 PolarHBondContact N-O 2.9Å; V153-F272 HydrophobicContact CG1-CE2 4.06Å; V153-F272 HydrophobicContact CG1-CZ 3.79Å; V153-F272 HydrophobicContact CG2-CE2 4.24Å; F270-F272 HydrophobicContact CB-CE2 4.35Å; F270-F272 HydrophobicContact CB-CZ 4.21Å; F270-F272 AromaticContact CD1-CZ 3.93Å; F270-F272 HydrophobicContact CD1-CZ 3.93Å; F270-F272 PolarHBondContact O-N 2.84Å |
| 273 | I | 96.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | trans | -89.6 | 123.5 | 171.5 | -62.8 | -179.2 | 0 | 0 | 0 | 107.6 | L117 F270 L277 M279 I286 F303 | L117-I273 HydrophobicContact CD1-CG1 4.41Å; F270-I273 HydrophobicContact CB-CB 4.08Å; F270-I273 HydrophobicContact CB-CD1 3.73Å; F270-I273 HydrophobicContact CB-CG1 3.92Å; F270-I273 HydrophobicContact CG-CD1 4.13Å; F270-I273 PolarHBondContact O-N 2.85Å; I273-L277 HydrophobicContact CG2-CB 4.4Å; I273-L277 HydrophobicContact CG2-CD1 4.19Å; I273-M279 HydrophobicContact CG2-CB 3.98Å; I273-I286 HydrophobicContact CD1-CD1 3.64Å; I273-F303 HydrophobicContact CD1-CE1 3.57Å; I273-F303 HydrophobicContact CD1-CZ 3.39Å | ||
| 274 | K | 95.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | trans | -116.6 | 166.4 | -176.8 | -60.7 | -53.8 | -173.2 | -169.6 | 0 | 109.7 | R116 P271 D276 L277 | R116-K274 HydrophobicContact CG-CG 4.36Å; P271-K274 WeakPolarHBondContact O-CE 3.47Å; P271-K274 PolarHBondContact O-NZ 2.88Å; K274-D276 WeakPolarHBondContact CB-OD1 3.33Å; K274-D276 PolarHBondContact O-N 3.48Å; K274-L277 PolarHBondContact O-N 3.29Å | ||
| 275 | E | 91.5 | Very high | 93.4 | Very high | 188 Ų | 188 | 53 Ų | 53 | 88% | 0.879 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -55.1 | -27.4 | -175.1 | -65.4 | 176.1 | 179.3 | 0 | 0 | 113.3 | L277 G278 | E275-L277 PolarHBondContact O-N 3.34Å; E275-G278 PolarHBondContact O-N 2.94Å |
| 276 | D | 93.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -62.8 | -19.6 | 177.1 | 53.1 | -66.2 | 0 | 0 | 0 | 114.3 | R116 K274 G278 | R116-D276 IonicContact NH2-OD1 2.74Å; R116-D276 PolarHBondContact NH2-OD1 2.86Å; R116-D276 VanDerWaalsContact NH2-OD1 3.07Å; R116-D276 IonicContact NH2-OD2 3.71Å; K274-D276 WeakPolarHBondContact CB-OD1 3.33Å; K274-D276 PolarHBondContact O-N 3.48Å; D276-G278 VanDerWaalsContact C-N 3.32Å |
| 277 | L | 96.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -86.4 | -1.6 | 173.2 | -62.3 | -179.8 | 0 | 0 | 0 | 112.9 | L117 H119 W131 I273 K274 E275 M279 F298 | L117-L277 HydrophobicContact CB-CD1 3.95Å; H119-L277 HydrophobicContact CB-CD2 3.94Å; W131-L277 HydrophobicContact CH2-CD2 4.37Å; W131-L277 HydrophobicContact CZ3-CD1 4.27Å; W131-L277 HydrophobicContact CZ3-CD2 3.93Å; I273-L277 HydrophobicContact CG2-CB 4.4Å; I273-L277 HydrophobicContact CG2-CD1 4.19Å; K274-L277 PolarHBondContact O-N 3.29Å; E275-L277 PolarHBondContact O-N 3.34Å; L277-M279 HydrophobicContact CB-CG 4.39Å; L277-M279 WeakPolarHBondContact O-CG 3.23Å; L277-M279 PolarHBondContact O-N 3.16Å; L277-F298 HydrophobicContact CB-CE2 4.33Å; L277-F298 HydrophobicContact CD2-CE2 4.13Å; L277-F298 HydrophobicContact CD2-CZ 4.22Å; L277-F298 WeakPolarHBondContact O-CE2 3.28Å |
| 278 | G | 94.1 | Very high | 93.8 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 18.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E275 D276 | E275-G278 PolarHBondContact O-N 2.94Å; D276-G278 VanDerWaalsContact C-N 3.32Å |
| 279 | M | 95.6 | Very high | 94 | Very high | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | trans | -105.2 | 139 | 179.2 | -58.4 | -172.2 | 74.6 | 0 | 0 | 110.1 | I273 L277 I286 S287 L289 S295 L301 F303 | I273-M279 HydrophobicContact CG2-CB 3.98Å; L277-M279 HydrophobicContact CB-CG 4.39Å; L277-M279 WeakPolarHBondContact O-CG 3.23Å; L277-M279 PolarHBondContact O-N 3.16Å; M279-I286 HydrophobicContact CB-CD1 4.4Å; M279-I286 HydrophobicContact CB-CG1 4.46Å; M279-I286 HydrophobicContact CE-CD1 4.12Å; M279-I286 HydrophobicContact CE-CG1 4.09Å; M279-S287 CarbonylContact C-O 3.51Å; M279-S287 WeakPolarHBondContact CA-O 3.21Å; M279-L289 HydrophobicContact CE-CD2 3.64Å; M279-L289 HydrophobicContact CE-CG 4.43Å; M279-S295 PolarHBondContact SD-OG 2.9Å; M279-L301 HydrophobicContact SD-CD2 3.75Å; M279-F303 HydrophobicContact CE-CD2 4.45Å; M279-F303 HydrophobicContact CE-CE2 3.45Å; M279-F303 VanDerWaalsContact CE-CE2 3.45Å; M279-F303 HydrophobicContact CE-CZ 3.68Å; M279-F303 HydrophobicContact SD-CE2 4.09Å; M279-F303 HydrophobicContact SD-CZ 4.1Å | ||
| 280 | K | 93.6 | Very high | 94.3 | Very high | 132 Ų | 132 | 46.6 Ų | 46.6 | 57% | 0.574 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.2 | -179.1 | -164.8 | 179.6 | -177.9 | -153.4 | 0 | 110.4 | D282 I286 S287 | K280-D282 WeakPolarHBondContact CD-OD2 2.77Å; K280-D282 WeakPolarHBondContact CE-OD2 3.21Å; K280-D282 HydrophobicContact CG-CB 4.41Å; K280-D282 IonicContact NZ-OD2 2.71Å; K280-D282 PolarHBondContact NZ-OD2 2.83Å; K280-I286 CarbonylContact O-C 3.57Å; K280-I286 VanDerWaalsContact O-CA 3.29Å; K280-I286 WeakPolarHBondContact O-CA 3.46Å; K280-S287 PolarHBondContact N-O 3.34Å; K280-S287 PolarHBondContact O-N 3.44Å |
| 281 | A | 93.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 98.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F268 F270 C285 I286 | F268-A281 HydrophobicContact CB-CB 4.35Å; F270-A281 HydrophobicContact CD2-CB 3.96Å; F270-A281 HydrophobicContact CE2-CB 4.43Å; A281-C285 CarbonylContact C-O 3.52Å; A281-C285 VanDerWaalsContact CA-O 3.29Å; A281-C285 WeakPolarHBondContact CA-O 3.21Å; A281-I286 HydrophobicContact CB-CB 4.25Å; A281-I286 HydrophobicContact CB-CG1 4.36Å |
| 282 | D | 89.6 | Confident | 94.7 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 172.1 | -178.9 | 62.6 | -10.7 | 0 | 0 | 0 | 110.3 | K280 D284 C285 | K280-D282 WeakPolarHBondContact CD-OD2 2.77Å; K280-D282 WeakPolarHBondContact CE-OD2 3.21Å; K280-D282 HydrophobicContact CG-CB 4.41Å; K280-D282 IonicContact NZ-OD2 2.71Å; K280-D282 PolarHBondContact NZ-OD2 2.83Å; D282-D284 PolarHBondContact O-N 2.99Å; D282-C285 PolarHBondContact N-O 2.74Å; D282-C285 VanDerWaalsContact N-O 3.07Å; D282-C285 CarbonylContact O-C 3.53Å; D282-C285 PolarHBondContact O-N 2.88Å; D282-C285 PolarHBondContact O-SG 3.23Å; D282-C285 VanDerWaalsContact O-SG 3.42Å |
| 283 | D | 85.5 | Confident | 94.8 | Very high | 131 Ų | 131 | 43.6 Ų | 43.6 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 40.6 | 175.7 | -63.7 | -26.2 | 0 | 0 | 0 | 114.5 | C285 P361 | D283-C285 VanDerWaalsContact C-N 3.27Å; D283-C285 PolarHBondContact O-N 3.38Å; D283-P361 WeakPolarHBondContact O-CD 3.41Å; D283-P361 WeakPolarHBondContact O-CG 3.44Å |
| 284 | D | 89.5 | Confident | 94.8 | Very high | 44 Ų | 44 | 42.7 Ų | 42.7 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 30.9 | -177.9 | -55.5 | -47.8 | 0 | 0 | 0 | 114.3 | K162 F268 D282 M362 | K162-D284 IonicContact NZ-OD1 3.12Å; K162-D284 PolarHBondContact NZ-OD1 2.92Å; K162-D284 IonicContact NZ-OD2 2.77Å; K162-D284 PolarHBondContact NZ-OD2 2.87Å; F268-D284 WeakPolarHBondContact CD2-O 3.33Å; F268-D284 VanDerWaalsContact CE2-C 3.44Å; F268-D284 WeakPolarHBondContact CE2-O 3.38Å; D282-D284 PolarHBondContact O-N 2.99Å; D284-M362 WeakPolarHBondContact O-CG 3.48Å |
| 285 | C | 94.3 | Very high | 95 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 179.9 | 169 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | A281 D282 D283 P361 M362 | A281-C285 CarbonylContact C-O 3.52Å; A281-C285 VanDerWaalsContact CA-O 3.29Å; A281-C285 WeakPolarHBondContact CA-O 3.21Å; D282-C285 PolarHBondContact N-O 2.74Å; D282-C285 VanDerWaalsContact N-O 3.07Å; D282-C285 CarbonylContact O-C 3.53Å; D282-C285 PolarHBondContact O-N 2.88Å; D282-C285 PolarHBondContact O-SG 3.23Å; D282-C285 VanDerWaalsContact O-SG 3.42Å; D283-C285 VanDerWaalsContact C-N 3.27Å; D283-C285 PolarHBondContact O-N 3.38Å; C285-P361 HydrophobicContact CB-CB 4.25Å; C285-P361 HydrophobicContact CB-CG 3.68Å; C285-M362 HydrophobicContact CB-CG 3.63Å; C285-M362 HydrophobicContact CB-SD 3.81Å |
| 286 | I | 95.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.2 | 159.1 | -178.5 | 168.3 | 0 | 0 | 0 | 108.5 | F270 I273 M279 K280 A281 L289 F303 L306 | F270-I286 HydrophobicContact CD2-CB 4.24Å; F270-I286 HydrophobicContact CD2-CD1 3.56Å; F270-I286 HydrophobicContact CD2-CG1 4.42Å; F270-I286 HydrophobicContact CE2-CB 3.8Å; F270-I286 HydrophobicContact CE2-CD1 3.88Å; F270-I286 HydrophobicContact CE2-CG1 4.42Å; F270-I286 HydrophobicContact CE2-CG2 3.78Å; F270-I286 HydrophobicContact CG-CD1 4.14Å; F270-I286 HydrophobicContact CZ-CG2 4.18Å; I273-I286 HydrophobicContact CD1-CD1 3.64Å; M279-I286 HydrophobicContact CB-CD1 4.4Å; M279-I286 HydrophobicContact CB-CG1 4.46Å; M279-I286 HydrophobicContact CE-CD1 4.12Å; M279-I286 HydrophobicContact CE-CG1 4.09Å; K280-I286 CarbonylContact O-C 3.57Å; K280-I286 VanDerWaalsContact O-CA 3.29Å; K280-I286 WeakPolarHBondContact O-CA 3.46Å; A281-I286 HydrophobicContact CB-CB 4.25Å; A281-I286 HydrophobicContact CB-CG1 4.36Å; I286-L289 HydrophobicContact CG2-CD1 3.84Å; I286-L289 WeakPolarHBondContact O-CD1 3.33Å; I286-L289 WeakPolarHBondContact O-CG 3.44Å; I286-F303 HydrophobicContact CD1-CE1 3.72Å; I286-F303 HydrophobicContact CD1-CZ 3.73Å; I286-F303 HydrophobicContact CG2-CD1 4.31Å; I286-F303 HydrophobicContact CG2-CE1 4.29Å; I286-L306 HydrophobicContact CG2-CD1 3.43Å; I286-L306 VanDerWaalsContact CG2-CD1 3.43Å |
| 287 | S | 96.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 30.2 Ų | 30.2 | 16% | 0.161 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 159.3 | -173.8 | 63.9 | 0 | 0 | 0 | 0 | 112 | M279 K280 E343 | M279-S287 CarbonylContact C-O 3.51Å; M279-S287 WeakPolarHBondContact CA-O 3.21Å; K280-S287 PolarHBondContact N-O 3.34Å; K280-S287 PolarHBondContact O-N 3.44Å; S287-E343 VanDerWaalsContact CB-OE1 3.25Å; S287-E343 WeakPolarHBondContact CB-OE1 3.19Å |
| 288 | P | 97.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | S | Bend | cis | -81.1 | 133.4 | -1.9 | 32.1 | -34 | 0 | 0 | 0 | 113.3 | I296 L340 E343 | P288-I296 HydrophobicContact CB-CB 4.25Å; P288-I296 HydrophobicContact CB-CD1 4.03Å; P288-I296 HydrophobicContact CB-CG1 4.4Å; P288-I296 HydrophobicContact CG-CB 4.34Å; P288-I296 PolarHBondContact O-N 2.83Å; P288-L340 HydrophobicContact CB-CD2 3.9Å; P288-E343 WeakPolarHBondContact CA-OE1 3.46Å; P288-E343 WeakPolarHBondContact CA-OE2 3.49Å; P288-E343 WeakPolarHBondContact CB-OE2 3.22Å |
| 289 | L | 98.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.1 | 175.4 | -67.5 | -176.1 | 0 | 0 | 0 | 112.5 | M279 I286 I294 F303 L306 E343 | M279-L289 HydrophobicContact CE-CD2 3.64Å; M279-L289 HydrophobicContact CE-CG 4.43Å; I286-L289 HydrophobicContact CG2-CD1 3.84Å; I286-L289 WeakPolarHBondContact O-CD1 3.33Å; I286-L289 WeakPolarHBondContact O-CG 3.44Å; L289-I294 CarbonylContact C-O 3.54Å; L289-I294 VanDerWaalsContact CA-O 3.28Å; L289-I294 WeakPolarHBondContact CA-O 3.42Å; L289-F303 HydrophobicContact CD1-CD2 4.43Å; L289-F303 HydrophobicContact CD2-CD2 3.59Å; L289-F303 HydrophobicContact CD2-CE2 3.84Å; L289-F303 HydrophobicContact CD2-CG 4.46Å; L289-L306 HydrophobicContact CD1-CD1 4.01Å; L289-E343 VanDerWaalsContact N-CD 3.29Å; L289-E343 PolarHBondContact N-OE1 3.37Å; L289-E343 WeakPolarHBondContact O-CB 3.18Å; L289-E343 VanDerWaalsContact O-CG 3.31Å; L289-E343 WeakPolarHBondContact O-CG 3.26Å |
| 290 | Y | 98.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.3 | 165.6 | -177 | -126.4 | 0 | 0 | 0 | 110.1 | H292 M293 I294 L333 P334 M339 D342 R374 | Y290-H292 PolarHBondContact O-N 3.48Å; Y290-M293 PolarHBondContact O-N 3.28Å; Y290-I294 HydrophobicContact CD1-CD1 3.94Å; Y290-I294 PolarHBondContact N-O 2.86Å; Y290-I294 PolarHBondContact O-N 2.67Å; Y290-L333 HydrophobicContact CD1-CD2 3.93Å; Y290-L333 HydrophobicContact CE1-CD2 3.85Å; Y290-P334 HydrophobicContact CE1-CG 4.27Å; Y290-P334 HydrophobicContact CE2-CG 4.47Å; Y290-M339 HydrophobicContact CD1-CG 3.92Å; Y290-M339 HydrophobicContact CD1-SD 3.67Å; Y290-M339 HydrophobicContact CD2-CB 3.89Å; Y290-M339 HydrophobicContact CD2-CG 3.74Å; Y290-M339 HydrophobicContact CD2-SD 4.44Å; Y290-M339 HydrophobicContact CE1-CG 4.32Å; Y290-M339 HydrophobicContact CE1-SD 4.39Å; Y290-M339 HydrophobicContact CE2-CG 4.17Å; Y290-M339 HydrophobicContact CG-CB 4Å; Y290-M339 HydrophobicContact CG-CG 3.62Å; Y290-M339 HydrophobicContact CG-SD 3.71Å; Y290-D342 HydrophobicContact CD2-CB 4.17Å; Y290-D342 HydrophobicContact CE2-CB 3.91Å; Y290-R374 PolarHBondContact OH-NH2 2.76Å |
| 291 | L | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 28.9 | -178.1 | -58.1 | 170.5 | 0 | 0 | 0 | 113 | M293 I294 F322 Y371 R374 L375 M378 | L291-M293 HydrophobicContact CB-CG 4.2Å; L291-M293 WeakPolarHBondContact O-CG 3.31Å; L291-M293 PolarHBondContact O-N 3.03Å; L291-I294 HydrophobicContact CB-CD1 4.34Å; L291-I294 HydrophobicContact CD1-CD1 4.01Å; L291-F322 HydrophobicContact CD1-CE1 4.13Å; L291-F322 HydrophobicContact CD1-CE2 4.4Å; L291-F322 HydrophobicContact CD1-CZ 3.77Å; L291-Y371 HydrophobicContact CB-CE2 4.25Å; L291-Y371 WeakPolarHBondContact O-CE2 3.42Å; L291-Y371 VanDerWaalsContact O-CZ 3.31Å; L291-Y371 PolarHBondContact O-OH 2.8Å; L291-R374 VanDerWaalsContact CD2-CZ 3.42Å; L291-L375 HydrophobicContact CB-CD2 4.2Å; L291-L375 HydrophobicContact CD1-CD2 3.72Å; L291-L375 HydrophobicContact CD2-CD2 4.49Å; L291-L375 HydrophobicContact CG-CD2 4.35Å; L291-M378 HydrophobicContact CD1-CE 4.1Å; L291-M378 HydrophobicContact CD1-SD 4.3Å |
| 292 | H | 98 | Very high | 96.2 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.056 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 14.5 | -176.6 | -51.6 | -81.9 | 0 | 0 | 0 | 115.6 | Y290 R350 M362 M364 Y371 | Y290-H292 PolarHBondContact O-N 3.48Å; H292-R350 PolarHBondContact NE2-NH1 3.42Å; H292-R350 PolarHBondContact NE2-NH2 3.28Å; H292-M362 HydrophobicContact CB-CE 3.94Å; H292-M364 HydrophobicContact CB-CE 4.35Å; H292-M364 VanDerWaalsContact CD2-CE 3.44Å; H292-M364 WeakPolarHBondContact CD2-CE 3.48Å; H292-Y371 AromaticContact CD2-CE2 3.93Å |
| 293 | M | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.4 | -23.6 | -174.4 | 62.5 | 172.2 | -67 | 0 | 0 | 115.6 | Y290 L291 F302 F303 I304 Q319 F322 A323 L375 | Y290-M293 PolarHBondContact O-N 3.28Å; L291-M293 HydrophobicContact CB-CG 4.2Å; L291-M293 WeakPolarHBondContact O-CG 3.31Å; L291-M293 PolarHBondContact O-N 3.03Å; M293-F302 HydrophobicContact CE-CD1 4.32Å; M293-F302 CarbonylContact O-C 3.55Å; M293-F302 VanDerWaalsContact O-CA 3.24Å; M293-F302 WeakPolarHBondContact O-CA 3.4Å; M293-F303 WeakPolarHBondContact CA-O 3.48Å; M293-F303 VanDerWaalsContact CB-O 3.24Å; M293-F303 WeakPolarHBondContact CB-O 3.26Å; M293-F303 PolarHBondContact O-N 2.83Å; M293-I304 HydrophobicContact CE-CD1 4.08Å; M293-Q319 HydrophobicContact CE-CB 4.03Å; M293-Q319 WeakPolarHBondContact CE-O 3.25Å; M293-Q319 HydrophobicContact SD-CB 3.98Å; M293-Q319 HydrophobicContact SD-CG 3.89Å; M293-F322 HydrophobicContact CE-CD1 4.1Å; M293-F322 HydrophobicContact SD-CD1 4.06Å; M293-A323 HydrophobicContact CE-CB 3.86Å; M293-L375 HydrophobicContact SD-CD1 4.08Å; M293-L375 HydrophobicContact SD-CD2 4.35Å |
| 294 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.1 | -176.8 | -60.7 | 135 | 0 | 0 | 0 | 109.3 | L289 Y290 L291 I296 P299 F302 F322 L326 L333 | L289-I294 CarbonylContact C-O 3.54Å; L289-I294 VanDerWaalsContact CA-O 3.28Å; L289-I294 WeakPolarHBondContact CA-O 3.42Å; Y290-I294 HydrophobicContact CD1-CD1 3.94Å; Y290-I294 PolarHBondContact N-O 2.86Å; Y290-I294 PolarHBondContact O-N 2.67Å; L291-I294 HydrophobicContact CB-CD1 4.34Å; L291-I294 HydrophobicContact CD1-CD1 4.01Å; I294-I296 PolarHBondContact O-N 3.37Å; I294-P299 HydrophobicContact CG2-CB 4.04Å; I294-F302 HydrophobicContact CG1-CD1 3.92Å; I294-F302 HydrophobicContact CG1-CE1 3.87Å; I294-F302 HydrophobicContact CG2-CE1 4.47Å; I294-F322 HydrophobicContact CD1-CD1 4.39Å; I294-F322 HydrophobicContact CD1-CE1 3.69Å; I294-L326 HydrophobicContact CD1-CD2 4.3Å; I294-L326 HydrophobicContact CG1-CD2 4.23Å; I294-L333 HydrophobicContact CD1-CD2 4.27Å; I294-L333 HydrophobicContact CG2-CD1 4.24Å |
| 295 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 120.2 | 168.6 | 177.8 | 0 | 0 | 0 | 0 | 110 | M279 H297 F298 P299 L301 | M279-S295 PolarHBondContact SD-OG 2.9Å; S295-H297 VanDerWaalsContact C-N 3.3Å; S295-H297 PolarHBondContact O-N 3.32Å; S295-F298 WeakPolarHBondContact CB-O 3.45Å; S295-F298 CarbonylContact O-C 3.56Å; S295-F298 PolarHBondContact O-N 2.91Å; S295-P299 WeakPolarHBondContact O-CA 3.17Å; S295-L301 PolarHBondContact N-O 3.43Å |
| 296 | I | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -61.4 | -39.5 | -173.4 | -74.9 | -178.1 | 0 | 0 | 0 | 112 | P288 I294 V336 M339 L340 E343 | P288-I296 HydrophobicContact CB-CB 4.25Å; P288-I296 HydrophobicContact CB-CD1 4.03Å; P288-I296 HydrophobicContact CB-CG1 4.4Å; P288-I296 HydrophobicContact CG-CB 4.34Å; P288-I296 PolarHBondContact O-N 2.83Å; I294-I296 PolarHBondContact O-N 3.37Å; I296-V336 HydrophobicContact CG2-CG1 3.87Å; I296-M339 HydrophobicContact CD1-CB 3.8Å; I296-M339 HydrophobicContact CG1-CB 3.97Å; I296-M339 HydrophobicContact CG2-CB 4.3Å; I296-M339 HydrophobicContact CG2-CE 4.26Å; I296-L340 HydrophobicContact CD1-CD2 3.89Å; I296-L340 HydrophobicContact CD1-CG 4.26Å; I296-L340 HydrophobicContact CG2-CD2 4.14Å; I296-L340 HydrophobicContact CG2-CG 4.13Å; I296-E343 HydrophobicContact CD1-CB 4.41Å |
| 297 | H | 96.7 | Very high | 97.8 | Very high | 94 Ų | 94 | 15 Ų | 15 | 44% | 0.435 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -86.3 | -18.5 | -179.2 | -61.2 | -53.3 | 0 | 0 | 0 | 113.1 | S295 | S295-H297 VanDerWaalsContact C-N 3.3Å; S295-H297 PolarHBondContact O-N 3.32Å |
| 298 | F | 97.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 17.3 Ų | 17.3 | 15% | 0.154 | 9% | 0.09 | C | C | . | . | trans | -135.3 | 77.7 | -178.9 | -52.9 | -80.9 | 0 | 0 | 0 | 110.3 | H119 W131 L277 S295 T300 L301 | H119-F298 HydrophobicContact CB-CD1 3.97Å; H119-F298 HydrophobicContact CB-CE1 3.76Å; H119-F298 HydrophobicContact CB-CZ 4.46Å; H119-F298 AromaticContact CD2-CD1 3.57Å; H119-F298 AromaticContact CE1-CD1 3.77Å; H119-F298 AromaticContact CG-CD1 3.43Å; H119-F298 VanDerWaalsContact CG-CD1 3.43Å; H119-F298 AromaticContact CG-CE1 3.5Å; H119-F298 AromaticContact ND1-CD1 3.58Å; H119-F298 AromaticContact ND1-CE1 3.44Å; H119-F298 WeakPolarHBondContact ND1-CE1 3.3Å; H119-F298 AromaticContact NE2-CD1 3.77Å; W131-F298 HydrophobicContact CH2-CB 3.65Å; W131-F298 HydrophobicContact CH2-CD1 4.28Å; W131-F298 HydrophobicContact CH2-CD2 4.45Å; W131-F298 AromaticContact CH2-CG 3.89Å; W131-F298 HydrophobicContact CH2-CG 3.89Å; W131-F298 HydrophobicContact CZ2-CB 3.57Å; W131-F298 HydrophobicContact CZ2-CD1 4.5Å; W131-F298 HydrophobicContact CZ2-CG 4.21Å; L277-F298 HydrophobicContact CB-CE2 4.33Å; L277-F298 HydrophobicContact CD2-CE2 4.13Å; L277-F298 HydrophobicContact CD2-CZ 4.22Å; L277-F298 WeakPolarHBondContact O-CE2 3.28Å; S295-F298 WeakPolarHBondContact CB-O 3.45Å; S295-F298 CarbonylContact O-C 3.56Å; S295-F298 PolarHBondContact O-N 2.91Å; F298-T300 PolarHBondContact O-N 2.91Å; F298-L301 HydrophobicContact CB-CB 4.4Å; F298-L301 WeakPolarHBondContact O-CB 3.45Å; F298-L301 PolarHBondContact O-N 3.34Å | ||
| 299 | P | 96.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 20 Ų | 20 | 37% | 0.37 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 8.8 | -170.4 | 28.5 | -36.2 | 0 | 0 | 0 | 115.1 | I294 S295 F302 L333 | I294-P299 HydrophobicContact CG2-CB 4.04Å; S295-P299 WeakPolarHBondContact O-CA 3.17Å; P299-F302 WeakPolarHBondContact O-CZ 3.41Å; P299-L333 HydrophobicContact CB-CD1 3.64Å |
| 300 | T | 97.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 20.6 Ų | 20.6 | 24% | 0.239 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 4.2 | 168.4 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | W131 S150 V151 F298 L327 | W131-T300 PolarHBondContact NE1-OG1 3.21Å; S150-T300 VanDerWaalsContact CA-O 3.28Å; S150-T300 WeakPolarHBondContact CA-O 3.18Å; S150-T300 VanDerWaalsContact CB-O 3.29Å; S150-T300 WeakPolarHBondContact CB-O 3.28Å; S150-T300 PolarHBondContact OG-O 3.49Å; V151-T300 PolarHBondContact N-O 3.42Å; F298-T300 PolarHBondContact O-N 2.91Å; T300-L327 HydrophobicContact CG2-CD2 4.1Å |
| 301 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.7 | 169.5 | 177.1 | 66.4 | 0 | 0 | 0 | 109.9 | L117 W131 V151 V153 M279 S295 F298 F303 | L117-L301 HydrophobicContact CD1-CD1 4.13Å; W131-L301 HydrophobicContact CH2-CB 3.65Å; W131-L301 HydrophobicContact CH2-CD1 4.48Å; W131-L301 HydrophobicContact CH2-CD2 3.79Å; W131-L301 HydrophobicContact CH2-CG 4.19Å; W131-L301 HydrophobicContact CZ2-CB 3.44Å; W131-L301 VanDerWaalsContact CZ2-CB 3.44Å; W131-L301 HydrophobicContact CZ2-CD2 4.46Å; W131-L301 HydrophobicContact CZ2-CG 4.41Å; W131-L301 HydrophobicContact CZ3-CD2 4.34Å; V151-L301 HydrophobicContact CB-CD1 3.78Å; V151-L301 HydrophobicContact CG1-CD1 3.9Å; V151-L301 WeakPolarHBondContact O-CA 3.2Å; V153-L301 HydrophobicContact CG2-CD1 3.61Å; M279-L301 HydrophobicContact SD-CD2 3.75Å; S295-L301 PolarHBondContact N-O 3.43Å; F298-L301 HydrophobicContact CB-CB 4.4Å; F298-L301 WeakPolarHBondContact O-CB 3.45Å; F298-L301 PolarHBondContact O-N 3.34Å; L301-F303 HydrophobicContact CD2-CE2 3.92Å; L301-F303 HydrophobicContact CD2-CZ 4.14Å; L301-F303 HydrophobicContact CG-CE2 3.84Å; L301-F303 HydrophobicContact CG-CZ 4.35Å |
| 302 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.3 | -177.9 | -56.3 | -73.6 | 0 | 0 | 0 | 111.3 | S150 V151 F152 V153 M293 I294 P299 I304 A323 L326 L327 | S150-F302 WeakPolarHBondContact OG-CE2 3.29Å; V151-F302 PolarHBondContact O-N 3.04Å; F152-F302 CarbonylContact C-O 3.51Å; F152-F302 HydrophobicContact CD1-CB 4.21Å; F152-F302 HydrophobicContact CD1-CD2 4.5Å; F152-F302 HydrophobicContact CD2-CD2 4Å; F152-F302 HydrophobicContact CE1-CB 4.43Å; F152-F302 HydrophobicContact CE1-CD2 4.19Å; F152-F302 HydrophobicContact CE1-CG 4.45Å; F152-F302 AromaticContact CE2-CD2 3.63Å; F152-F302 HydrophobicContact CE2-CD2 3.63Å; F152-F302 HydrophobicContact CE2-CE2 4.09Å; F152-F302 HydrophobicContact CG-CB 4.38Å; F152-F302 HydrophobicContact CG-CD2 4.41Å; F152-F302 AromaticContact CZ-CD2 3.73Å; F152-F302 HydrophobicContact CZ-CD2 3.73Å; F152-F302 HydrophobicContact CZ-CE2 4.16Å; F152-F302 HydrophobicContact CZ-CG 4.41Å; V153-F302 WeakPolarHBondContact CB-O 3.22Å; V153-F302 PolarHBondContact N-O 3.45Å; M293-F302 HydrophobicContact CE-CD1 4.32Å; M293-F302 CarbonylContact O-C 3.55Å; M293-F302 VanDerWaalsContact O-CA 3.24Å; M293-F302 WeakPolarHBondContact O-CA 3.4Å; I294-F302 HydrophobicContact CG1-CD1 3.92Å; I294-F302 HydrophobicContact CG1-CE1 3.87Å; I294-F302 HydrophobicContact CG2-CE1 4.47Å; P299-F302 WeakPolarHBondContact O-CZ 3.41Å; F302-I304 HydrophobicContact CB-CD1 4.29Å; F302-A323 HydrophobicContact CD1-CB 3.73Å; F302-A323 HydrophobicContact CD2-CB 4.1Å; F302-A323 HydrophobicContact CE1-CB 3.89Å; F302-A323 HydrophobicContact CE2-CB 4.23Å; F302-A323 HydrophobicContact CG-CB 3.83Å; F302-A323 HydrophobicContact CZ-CB 4.13Å; F302-L326 HydrophobicContact CE1-CD2 3.73Å; F302-L326 HydrophobicContact CZ-CD2 4.04Å; F302-L327 HydrophobicContact CE2-CD1 3.85Å; F302-L327 HydrophobicContact CE2-CD2 3.9Å; F302-L327 HydrophobicContact CE2-CG 3.75Å; F302-L327 HydrophobicContact CZ-CD2 4.12Å; F302-L327 HydrophobicContact CZ-CG 3.98Å |
| 303 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.4 | 170.5 | -64.9 | -101.4 | 0 | 0 | 0 | 109 | V153 F270 I273 M279 I286 L289 M293 L301 L306 | V153-F303 HydrophobicContact CB-CD1 3.61Å; V153-F303 HydrophobicContact CB-CE1 3.89Å; V153-F303 HydrophobicContact CB-CG 4.12Å; V153-F303 HydrophobicContact CG1-CD1 3.61Å; V153-F303 HydrophobicContact CG1-CE1 3.75Å; V153-F303 HydrophobicContact CG2-CD1 4.1Å; V153-F303 HydrophobicContact CG2-CE1 3.91Å; V153-F303 HydrophobicContact CG2-CZ 4.2Å; F270-F303 HydrophobicContact CD1-CE1 4.2Å; F270-F303 HydrophobicContact CE1-CD1 4.13Å; F270-F303 HydrophobicContact CE1-CE1 4.13Å; F270-F303 HydrophobicContact CZ-CD1 4.32Å; F270-F303 HydrophobicContact CZ-CE1 4.4Å; I273-F303 HydrophobicContact CD1-CE1 3.57Å; I273-F303 HydrophobicContact CD1-CZ 3.39Å; M279-F303 HydrophobicContact CE-CD2 4.45Å; M279-F303 HydrophobicContact CE-CE2 3.45Å; M279-F303 VanDerWaalsContact CE-CE2 3.45Å; M279-F303 HydrophobicContact CE-CZ 3.68Å; M279-F303 HydrophobicContact SD-CE2 4.09Å; M279-F303 HydrophobicContact SD-CZ 4.1Å; I286-F303 HydrophobicContact CD1-CE1 3.72Å; I286-F303 HydrophobicContact CD1-CZ 3.73Å; I286-F303 HydrophobicContact CG2-CD1 4.31Å; I286-F303 HydrophobicContact CG2-CE1 4.29Å; L289-F303 HydrophobicContact CD1-CD2 4.43Å; L289-F303 HydrophobicContact CD2-CD2 3.59Å; L289-F303 HydrophobicContact CD2-CE2 3.84Å; L289-F303 HydrophobicContact CD2-CG 4.46Å; M293-F303 WeakPolarHBondContact CA-O 3.48Å; M293-F303 VanDerWaalsContact CB-O 3.24Å; M293-F303 WeakPolarHBondContact CB-O 3.26Å; M293-F303 PolarHBondContact O-N 2.83Å; L301-F303 HydrophobicContact CD2-CE2 3.92Å; L301-F303 HydrophobicContact CD2-CZ 4.14Å; L301-F303 HydrophobicContact CG-CE2 3.84Å; L301-F303 HydrophobicContact CG-CZ 4.35Å; F303-L306 HydrophobicContact CB-CD1 3.44Å; F303-L306 VanDerWaalsContact CB-CD1 3.44Å; F303-L306 HydrophobicContact CB-CG 3.79Å; F303-L306 HydrophobicContact CD1-CD1 3.76Å; F303-L306 HydrophobicContact CG-CD1 3.82Å |
| 304 | I | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | trans | -108.5 | 130.1 | -175.7 | -50.6 | -60 | 0 | 0 | 0 | 109 | A11 F152 V153 M293 F302 F316 Q319 V320 | A11-I304 HydrophobicContact CB-CB 4.25Å; A11-I304 HydrophobicContact CB-CG2 3.88Å; F152-I304 HydrophobicContact CD1-CD1 4.17Å; F152-I304 HydrophobicContact CD1-CG1 3.96Å; F152-I304 HydrophobicContact CE1-CD1 4.48Å; V153-I304 PolarHBondContact O-N 2.97Å; M293-I304 HydrophobicContact CE-CD1 4.08Å; F302-I304 HydrophobicContact CB-CD1 4.29Å; I304-F316 HydrophobicContact CG2-CB 4.05Å; I304-F316 HydrophobicContact CG2-CD1 4.47Å; I304-F316 HydrophobicContact CG2-CG 4.43Å; I304-Q319 HydrophobicContact CD1-CB 3.97Å; I304-Q319 HydrophobicContact CG2-CB 4.31Å; I304-V320 HydrophobicContact CD1-CG2 4.35Å; I304-V320 HydrophobicContact CG1-CG2 4.3Å; I304-V320 HydrophobicContact CG2-CG2 4.02Å | ||
| 305 | G | 97 | Very high | 97.2 | Very high | 11 Ų | 11 | 21 Ų | 21 | 11% | 0.113 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 74 | 32.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | F316 | G305-F316 VanDerWaalsContact CA-CD1 3.45Š|
| 306 | L | 96.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -81.7 | -18 | 174.4 | -66.4 | -167.1 | 0 | 0 | 0 | 114.4 | H157 F268 F270 I286 L289 F303 M362 | H157-L306 PolarHBondContact CE1-O 2.77Å; F268-L306 HydrophobicContact CE1-CB 4.09Å; F268-L306 HydrophobicContact CE1-CD1 4.41Å; F268-L306 HydrophobicContact CE1-CD2 4.14Å; F268-L306 HydrophobicContact CE1-CG 4.45Å; F270-L306 HydrophobicContact CE1-CD2 4.22Å; F270-L306 HydrophobicContact CZ-CD1 4.27Å; F270-L306 HydrophobicContact CZ-CD2 3.75Å; I286-L306 HydrophobicContact CG2-CD1 3.43Å; I286-L306 VanDerWaalsContact CG2-CD1 3.43Å; L289-L306 HydrophobicContact CD1-CD1 4.01Å; F303-L306 HydrophobicContact CB-CD1 3.44Å; F303-L306 VanDerWaalsContact CB-CD1 3.44Å; F303-L306 HydrophobicContact CB-CG 3.79Å; F303-L306 HydrophobicContact CD1-CD1 3.76Å; F303-L306 HydrophobicContact CG-CD1 3.82Å; L306-M362 HydrophobicContact CB-CE 3.64Å | ||
| 307 | C | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | trans | -73.7 | 145.2 | -175.9 | -65 | 0 | 0 | 0 | 0 | 111.9 | V310 F315 M362 M364 | C307-V310 HydrophobicContact CB-CG1 3.8Å; C307-F315 HydrophobicContact CB-CE1 3.87Å; C307-F315 HydrophobicContact CB-CE2 4.45Å; C307-F315 HydrophobicContact CB-CZ 3.61Å; C307-M362 CarbonylContact C-O 3.58Å; C307-M362 WeakPolarHBondContact CA-O 3.17Å; C307-M364 HydrophobicContact CB-CE 4.18Å; C307-M364 HydrophobicContact CB-CG 3.58Å; C307-M364 WeakPolarHBondContact SG-CE 3.4Å | ||
| 308 | R | 94 | Very high | 97.4 | Very high | 70 Ų | 70 | 17.8 Ų | 17.8 | 26% | 0.264 | 10% | 0.1 | S | C | . | . | B | Isolated β-bridge | trans | -100.5 | 150.2 | -179.6 | -63.1 | -176.4 | -175.9 | -101.3 | 6.4 | 111.1 | Y266 M362 M364 | Y266-R308 PolarHBondContact O-NH2 3.48Å; Y266-R308 VanDerWaalsContact O-NH2 3.09Å; R308-M362 PolarHBondContact N-O 2.79Å; R308-M364 PolarHBondContact O-N 3.48Å |
| 309 | T | 93.5 | Very high | 97.5 | Very high | 73 Ų | 73 | 16.1 Ų | 16.1 | 45% | 0.448 | 9% | 0.092 | S | C | . | . | S | Bend | trans | 58.2 | 59.6 | 178.3 | -46.6 | 0 | 0 | 0 | 0 | 110.9 | Y363 G365 Y392 | T309-Y363 HydrophobicContact CG2-CE2 4.13Å; T309-G365 WeakPolarHBondContact O-CA 3.21Å; T309-G365 PolarHBondContact O-N 2.9Å; T309-Y392 WeakPolarHBondContact CG2-OH 3.42Å; T309-Y392 PolarHBondContact O-OH 3.15Å |
| 310 | V | 96.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 13.4 Ų | 13.4 | 9% | 0.091 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -125 | 164.6 | -179.8 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | C307 P312 F315 M364 Q368 | C307-V310 HydrophobicContact CB-CG1 3.8Å; V310-P312 WeakPolarHBondContact O-CD 3.49Å; V310-F315 HydrophobicContact CB-CB 4.37Å; V310-F315 HydrophobicContact CB-CD2 3.89Å; V310-F315 HydrophobicContact CB-CE2 4.33Å; V310-F315 HydrophobicContact CB-CG 4.07Å; V310-F315 HydrophobicContact CG1-CD2 3.72Å; V310-F315 HydrophobicContact CG1-CE1 4.48Å; V310-F315 HydrophobicContact CG1-CE2 3.65Å; V310-F315 HydrophobicContact CG1-CG 4.2Å; V310-F315 HydrophobicContact CG1-CZ 4.05Å; V310-F315 HydrophobicContact CG2-CG 4.33Å; V310-M364 HydrophobicContact CG1-CB 3.6Å; V310-M364 HydrophobicContact CG1-CG 3.74Å; V310-Q368 HydrophobicContact CG1-CB 4.44Å |
| 311 | L | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | trans | -81.6 | 98.6 | 162.8 | -173.4 | 58.8 | 0 | 0 | 0 | 109.7 | L65 I69 F313 P314 F315 W369 L388 Y392 | L65-L311 HydrophobicContact CD1-CD1 3.79Å; I69-L311 HydrophobicContact CB-CD1 4Å; I69-L311 HydrophobicContact CB-CD2 4.11Å; I69-L311 HydrophobicContact CD1-CD1 3.68Å; I69-L311 HydrophobicContact CD1-CD2 4.46Å; I69-L311 HydrophobicContact CG1-CD1 3.67Å; I69-L311 WeakPolarHBondContact O-CD1 3.47Å; I69-L311 WeakPolarHBondContact O-CG 3.47Å; L311-F313 PolarHBondContact O-N 2.57Å; L311-P314 HydrophobicContact CD2-CB 4.39Å; L311-P314 HydrophobicContact CD2-CG 3.9Å; L311-P314 HydrophobicContact CG-CG 3.98Å; L311-F315 WeakPolarHBondContact O-CB 3.46Å; L311-F315 PolarHBondContact O-N 3.31Å; L311-F315 VanDerWaalsContact O-N 3.1Å; L311-W369 HydrophobicContact CB-CH2 4.36Å; L311-W369 HydrophobicContact CD2-CH2 4.17Å; L311-L388 HydrophobicContact CD2-CB 3.85Å; L311-L388 HydrophobicContact CD2-CD1 4.48Å; L311-L388 HydrophobicContact CD2-CD2 4.01Å; L311-L388 HydrophobicContact CD2-CG 4.34Å; L311-Y392 HydrophobicContact CB-CD2 4.32Å; L311-Y392 HydrophobicContact CD1-CD2 4.49Å | ||
| 312 | P | 96.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 18% | 0.182 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.4 | -51.8 | -153.2 | -25.1 | 36.2 | 0 | 0 | 0 | 115.2 | V310 F315 F316 | V310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-F315 WeakPolarHBondContact O-CB 3.46Å; P312-F315 PolarHBondContact O-N 3.47Å; P312-F316 HydrophobicContact CB-CE1 4.26Å; P312-F316 HydrophobicContact CB-CE2 3.87Å; P312-F316 HydrophobicContact CB-CZ 3.64Å; P312-F316 WeakPolarHBondContact O-CD1 3.33Å; P312-F316 VanDerWaalsContact O-CD2 3.28Å; P312-F316 WeakPolarHBondContact O-CD2 3.47Å; P312-F316 WeakPolarHBondContact O-CE1 3.46Å; P312-F316 WeakPolarHBondContact O-CG 3.04Å; P312-F316 PolarHBondContact O-N 3.07Å |
| 313 | F | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -72.8 | -45.4 | -168.9 | -62.6 | 2.3 | 0 | 0 | 0 | 112.7 | A10 M70 F72 V91 Y94 L95 L311 F315 F316 D317 | A10-F313 HydrophobicContact CB-CD1 3.88Å; A10-F313 HydrophobicContact CB-CE1 3.45Å; A10-F313 VanDerWaalsContact CB-CE1 3.45Å; A10-F313 HydrophobicContact CB-CZ 4.07Å; M70-F313 WeakPolarHBondContact O-CD2 3.49Å; M70-F313 WeakPolarHBondContact O-CE2 3.4Å; M70-F313 WeakPolarHBondContact O-CG 3.44Å; F72-F313 HydrophobicContact CD1-CB 3.68Å; F72-F313 HydrophobicContact CD1-CG 4.29Å; F72-F313 HydrophobicContact CD2-CD2 4.25Å; F72-F313 HydrophobicContact CE1-CB 3.64Å; F72-F313 HydrophobicContact CE1-CD1 4.47Å; F72-F313 HydrophobicContact CE1-CD2 4.37Å; F72-F313 AromaticContact CE1-CG 3.91Å; F72-F313 HydrophobicContact CE1-CG 3.91Å; F72-F313 HydrophobicContact CE2-CD2 4.08Å; F72-F313 HydrophobicContact CE2-CG 4.39Å; F72-F313 HydrophobicContact CG-CB 4.24Å; F72-F313 HydrophobicContact CG-CD2 4.48Å; F72-F313 HydrophobicContact CZ-CB 4.21Å; F72-F313 HydrophobicContact CZ-CD1 4.37Å; F72-F313 HydrophobicContact CZ-CD2 4.13Å; F72-F313 AromaticContact CZ-CG 3.97Å; F72-F313 HydrophobicContact CZ-CG 3.97Å; V91-F313 HydrophobicContact CG1-CE2 4.35Å; V91-F313 HydrophobicContact CG1-CZ 3.89Å; Y94-F313 AromaticContact CD1-CE2 3.89Å; Y94-F313 HydrophobicContact CD1-CE2 3.89Å; Y94-F313 AromaticContact CE1-CD2 3.82Å; Y94-F313 HydrophobicContact CE1-CD2 3.82Å; Y94-F313 AromaticContact CE1-CE2 3.64Å; Y94-F313 HydrophobicContact CE1-CE2 3.64Å; L95-F313 HydrophobicContact CD1-CZ 4.38Å; L95-F313 HydrophobicContact CD2-CE2 3.89Å; L95-F313 HydrophobicContact CD2-CZ 3.85Å; L95-F313 HydrophobicContact CG-CZ 4.39Å; L311-F313 PolarHBondContact O-N 2.57Å; F313-F315 VanDerWaalsContact C-N 3.28Å; F313-F315 PolarHBondContact O-N 2.84Å; F313-F316 HydrophobicContact CD1-CD2 4.23Å; F313-F316 HydrophobicContact CD1-CE2 4.11Å; F313-F316 PolarHBondContact O-N 3.09Å; F313-D317 WeakPolarHBondContact O-CB 3.37Å; F313-D317 PolarHBondContact O-N 3.35Å |
| 314 | P | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 2% | 0.019 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.1 | -36.9 | 168.6 | -26.3 | 36.3 | 0 | 0 | 0 | 113.2 | A71 L311 D317 V318 L388 | A71-P314 WeakPolarHBondContact O-CD 3.44Å; L311-P314 HydrophobicContact CD2-CB 4.39Å; L311-P314 HydrophobicContact CD2-CG 3.9Å; L311-P314 HydrophobicContact CG-CG 3.98Å; P314-D317 PolarHBondContact O-N 2.76Å; P314-V318 WeakPolarHBondContact O-CG2 3.47Å; P314-V318 PolarHBondContact O-N 2.9Å; P314-V318 VanDerWaalsContact O-N 3.11Å; P314-L388 HydrophobicContact CB-CD1 4.1Å; P314-L388 HydrophobicContact CG-CD1 4.06Å; P314-L388 HydrophobicContact CG-CD2 4.43Å |
| 315 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 177.8 | -171.1 | -80.6 | 0 | 0 | 0 | 111.8 | C307 V310 L311 P312 F313 D317 Q319 M364 Q368 Y371 L372 | C307-F315 HydrophobicContact CB-CE1 3.87Å; C307-F315 HydrophobicContact CB-CE2 4.45Å; C307-F315 HydrophobicContact CB-CZ 3.61Å; V310-F315 HydrophobicContact CB-CB 4.37Å; V310-F315 HydrophobicContact CB-CD2 3.89Å; V310-F315 HydrophobicContact CB-CE2 4.33Å; V310-F315 HydrophobicContact CB-CG 4.07Å; V310-F315 HydrophobicContact CG1-CD2 3.72Å; V310-F315 HydrophobicContact CG1-CE1 4.48Å; V310-F315 HydrophobicContact CG1-CE2 3.65Å; V310-F315 HydrophobicContact CG1-CG 4.2Å; V310-F315 HydrophobicContact CG1-CZ 4.05Å; V310-F315 HydrophobicContact CG2-CG 4.33Å; L311-F315 WeakPolarHBondContact O-CB 3.46Å; L311-F315 PolarHBondContact O-N 3.31Å; L311-F315 VanDerWaalsContact O-N 3.1Å; P312-F315 WeakPolarHBondContact O-CB 3.46Å; P312-F315 PolarHBondContact O-N 3.47Å; F313-F315 VanDerWaalsContact C-N 3.28Å; F313-F315 PolarHBondContact O-N 2.84Å; F315-D317 VanDerWaalsContact C-N 3.34Å; F315-Q319 HydrophobicContact CD1-CG 4.23Å; F315-Q319 HydrophobicContact CE1-CG 4.03Å; F315-Q319 WeakPolarHBondContact O-CG 3.4Å; F315-Q319 PolarHBondContact O-N 2.87Å; F315-Q319 VanDerWaalsContact O-N 3.16Å; F315-M364 HydrophobicContact CE2-CE 4.49Å; F315-M364 HydrophobicContact CE2-CG 4.25Å; F315-M364 HydrophobicContact CZ-CE 4.14Å; F315-M364 HydrophobicContact CZ-CG 4.38Å; F315-Q368 HydrophobicContact CD2-CB 4.4Å; F315-Q368 HydrophobicContact CE2-CB 4.29Å; F315-Y371 HydrophobicContact CD2-CD1 4.45Å; F315-Y371 HydrophobicContact CD2-CE1 4.47Å; F315-Y371 HydrophobicContact CE1-CE1 4.07Å; F315-Y371 AromaticContact CE2-CD1 3.47Å; F315-Y371 HydrophobicContact CE2-CD1 3.47Å; F315-Y371 VanDerWaalsContact CE2-CD1 3.47Å; F315-Y371 AromaticContact CE2-CE1 3.5Å; F315-Y371 HydrophobicContact CE2-CE1 3.5Å; F315-Y371 VanDerWaalsContact CE2-CE1 3.5Å; F315-Y371 AromaticContact CZ-CD1 3.69Å; F315-Y371 HydrophobicContact CZ-CD1 3.69Å; F315-Y371 AromaticContact CZ-CE1 3.24Å; F315-Y371 HydrophobicContact CZ-CE1 3.24Å; F315-L372 HydrophobicContact CB-CD2 4.48Å; F315-L372 HydrophobicContact CD2-CD1 4.16Å; F315-L372 HydrophobicContact CD2-CD2 3.77Å; F315-L372 HydrophobicContact CD2-CG 4.1Å; F315-L372 HydrophobicContact CE2-CD2 4.25Å; F315-L372 HydrophobicContact CE2-CG 4.48Å; F315-L372 HydrophobicContact CG-CD2 4.21Å |
| 316 | F | 98.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 15.9 Ų | 15.9 | 11% | 0.105 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.7 | -54.6 | -19.2 | 0 | 0 | 0 | 111.3 | A10 A11 I304 G305 P312 F313 Q319 V320 | A10-F316 HydrophobicContact CB-CD2 4.22Å; A10-F316 HydrophobicContact CB-CE2 4.02Å; A11-F316 HydrophobicContact CB-CB 4.5Å; A11-F316 HydrophobicContact CB-CD2 3.89Å; A11-F316 HydrophobicContact CB-CE2 4.26Å; A11-F316 HydrophobicContact CB-CG 4.07Å; I304-F316 HydrophobicContact CG2-CB 4.05Å; I304-F316 HydrophobicContact CG2-CD1 4.47Å; I304-F316 HydrophobicContact CG2-CG 4.43Å; G305-F316 VanDerWaalsContact CA-CD1 3.45Å; P312-F316 HydrophobicContact CB-CE1 4.26Å; P312-F316 HydrophobicContact CB-CE2 3.87Å; P312-F316 HydrophobicContact CB-CZ 3.64Å; P312-F316 WeakPolarHBondContact O-CD1 3.33Å; P312-F316 VanDerWaalsContact O-CD2 3.28Å; P312-F316 WeakPolarHBondContact O-CD2 3.47Å; P312-F316 WeakPolarHBondContact O-CE1 3.46Å; P312-F316 WeakPolarHBondContact O-CG 3.04Å; P312-F316 PolarHBondContact O-N 3.07Å; F313-F316 HydrophobicContact CD1-CD2 4.23Å; F313-F316 HydrophobicContact CD1-CE2 4.11Å; F313-F316 PolarHBondContact O-N 3.09Å; F316-Q319 PolarHBondContact O-N 3.05Å; F316-V320 WeakPolarHBondContact O-CB 3.42Å; F316-V320 VanDerWaalsContact O-CG2 3.29Å; F316-V320 WeakPolarHBondContact O-CG2 3.31Å; F316-V320 PolarHBondContact O-N 3.27Å |
| 317 | D | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.027 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.4 | -50.5 | 177.5 | 173.7 | 82.1 | 0 | 0 | 0 | 112.2 | C14 H18 P73 F313 P314 F315 Q319 V320 R321 | C14-D317 VanDerWaalsContact SG-CA 3.58Å; H18-D317 IonicContact CD2-OD1 3.48Å; H18-D317 IonicContact CE1-OD1 2.73Å; H18-D317 PolarHBondContact CE1-OD1 2.84Å; H18-D317 IonicContact NE2-OD1 3.67Å; H18-D317 PolarHBondContact NE2-OD1 2.83Å; P73-D317 HydrophobicContact CG-CB 4.3Å; F313-D317 WeakPolarHBondContact O-CB 3.37Å; F313-D317 PolarHBondContact O-N 3.35Å; P314-D317 PolarHBondContact O-N 2.76Å; F315-D317 VanDerWaalsContact C-N 3.34Å; D317-Q319 PolarHBondContact O-N 2.81Å; D317-V320 PolarHBondContact O-N 3.14Å; D317-R321 WeakPolarHBondContact O-CG 3.35Å; D317-R321 PolarHBondContact O-N 3.18Å; D317-R321 IonicContact OD1-NE 2.87Å; D317-R321 IonicContact OD2-CZ 2.73Å; D317-R321 IonicContact OD2-NE 3.26Å; D317-R321 PolarHBondContact OD2-NE 2.81Å; D317-R321 IonicContact OD2-NH2 2.91Å; D317-R321 PolarHBondContact OD2-NH2 2.81Å |
| 318 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | P314 V320 R321 F322 L372 L375 I376 L381 I384 | P314-V318 WeakPolarHBondContact O-CG2 3.47Å; P314-V318 PolarHBondContact O-N 2.9Å; P314-V318 VanDerWaalsContact O-N 3.11Å; V318-V320 VanDerWaalsContact C-N 3.35Å; V318-V320 PolarHBondContact O-N 3.11Å; V318-R321 PolarHBondContact O-N 2.86Å; V318-F322 WeakPolarHBondContact O-CB 3.27Å; V318-F322 PolarHBondContact O-N 3Å; V318-L372 HydrophobicContact CB-CD2 3.68Å; V318-L372 HydrophobicContact CG1-CD2 3.78Å; V318-L372 HydrophobicContact CG2-CD2 3.99Å; V318-L375 HydrophobicContact CG1-CB 3.79Å; V318-L375 HydrophobicContact CG1-CD1 3.94Å; V318-L375 HydrophobicContact CG1-CG 4.49Å; V318-I376 HydrophobicContact CG1-CD1 4.48Å; V318-I376 HydrophobicContact CG1-CG1 3.95Å; V318-I376 HydrophobicContact CG2-CD1 4.3Å; V318-I376 HydrophobicContact CG2-CG1 4.41Å; V318-L381 HydrophobicContact CG1-CD1 4.38Å; V318-I384 HydrophobicContact CG2-CG2 3.82Å |
| 319 | Q | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 177 | -73.6 | -168.7 | -41.6 | 0 | 0 | 112 | M293 I304 F315 F316 D317 F322 A323 Y371 L375 | M293-Q319 HydrophobicContact CE-CB 4.03Å; M293-Q319 WeakPolarHBondContact CE-O 3.25Å; M293-Q319 HydrophobicContact SD-CB 3.98Å; M293-Q319 HydrophobicContact SD-CG 3.89Å; I304-Q319 HydrophobicContact CD1-CB 3.97Å; I304-Q319 HydrophobicContact CG2-CB 4.31Å; F315-Q319 HydrophobicContact CD1-CG 4.23Å; F315-Q319 HydrophobicContact CE1-CG 4.03Å; F315-Q319 WeakPolarHBondContact O-CG 3.4Å; F315-Q319 PolarHBondContact O-N 2.87Å; F315-Q319 VanDerWaalsContact O-N 3.16Å; F316-Q319 PolarHBondContact O-N 3.05Å; D317-Q319 PolarHBondContact O-N 2.81Å; Q319-F322 PolarHBondContact O-N 3.45Å; Q319-A323 PolarHBondContact O-N 3Å; Q319-Y371 HydrophobicContact CG-CE1 4.47Å; Q319-Y371 PolarHBondContact NE2-OH 2.86Å; Q319-L375 HydrophobicContact CG-CD1 4.08Å |
| 320 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 178.3 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | A15 H18 I304 F316 D317 V318 F322 A323 I324 | A15-V320 HydrophobicContact CB-CG1 4.46Å; A15-V320 HydrophobicContact CB-CG2 3.9Å; H18-V320 HydrophobicContact CB-CG1 3.71Å; I304-V320 HydrophobicContact CD1-CG2 4.35Å; I304-V320 HydrophobicContact CG1-CG2 4.3Å; I304-V320 HydrophobicContact CG2-CG2 4.02Å; F316-V320 WeakPolarHBondContact O-CB 3.42Å; F316-V320 VanDerWaalsContact O-CG2 3.29Å; F316-V320 WeakPolarHBondContact O-CG2 3.31Å; F316-V320 PolarHBondContact O-N 3.27Å; D317-V320 PolarHBondContact O-N 3.14Å; V318-V320 VanDerWaalsContact C-N 3.35Å; V318-V320 PolarHBondContact O-N 3.11Å; V320-F322 VanDerWaalsContact C-N 3.32Å; V320-F322 PolarHBondContact O-N 3.47Å; V320-A323 PolarHBondContact O-N 2.65Å; V320-I324 HydrophobicContact CG1-CD1 3.88Å; V320-I324 WeakPolarHBondContact O-CG1 3.22Å; V320-I324 PolarHBondContact O-N 2.89Å |
| 321 | R | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 21.3 Ų | 21.3 | 15% | 0.147 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 178.6 | -73.3 | -172.7 | -70.8 | 132.5 | -2.3 | 111.5 | D317 V318 I324 E325 L381 E382 | D317-R321 WeakPolarHBondContact O-CG 3.35Å; D317-R321 PolarHBondContact O-N 3.18Å; D317-R321 IonicContact OD1-NE 2.87Å; D317-R321 IonicContact OD2-CZ 2.73Å; D317-R321 IonicContact OD2-NE 3.26Å; D317-R321 PolarHBondContact OD2-NE 2.81Å; D317-R321 IonicContact OD2-NH2 2.91Å; D317-R321 PolarHBondContact OD2-NH2 2.81Å; V318-R321 PolarHBondContact O-N 2.86Å; R321-I324 WeakPolarHBondContact O-CB 3.25Å; R321-I324 PolarHBondContact O-N 3.06Å; R321-E325 PolarHBondContact O-N 2.68Å; R321-L381 HydrophobicContact CB-CD1 3.89Å; R321-L381 HydrophobicContact CB-CD2 4.05Å; R321-E382 PolarHBondContact NH1-O 2.77Å; R321-E382 VanDerWaalsContact NH1-O 3.09Å |
| 322 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 174.3 | -177.4 | -82.9 | 0 | 0 | 0 | 112.1 | L291 M293 I294 V318 Q319 V320 I324 E325 L326 V331 L375 M378 A379 L381 | L291-F322 HydrophobicContact CD1-CE1 4.13Å; L291-F322 HydrophobicContact CD1-CE2 4.4Å; L291-F322 HydrophobicContact CD1-CZ 3.77Å; M293-F322 HydrophobicContact CE-CD1 4.1Å; M293-F322 HydrophobicContact SD-CD1 4.06Å; I294-F322 HydrophobicContact CD1-CD1 4.39Å; I294-F322 HydrophobicContact CD1-CE1 3.69Å; V318-F322 WeakPolarHBondContact O-CB 3.27Å; V318-F322 PolarHBondContact O-N 3Å; Q319-F322 PolarHBondContact O-N 3.45Å; V320-F322 VanDerWaalsContact C-N 3.32Å; V320-F322 PolarHBondContact O-N 3.47Å; F322-I324 PolarHBondContact O-N 3.38Å; F322-E325 PolarHBondContact O-N 2.71Å; F322-L326 HydrophobicContact CE1-CD2 4.35Å; F322-L326 PolarHBondContact O-N 3.46Å; F322-V331 HydrophobicContact CE2-CG1 4.13Å; F322-V331 HydrophobicContact CZ-CG1 3.85Å; F322-L375 HydrophobicContact CB-CB 4.42Å; F322-L375 HydrophobicContact CD1-CD2 4.31Å; F322-L375 HydrophobicContact CD2-CB 3.87Å; F322-L375 HydrophobicContact CD2-CD2 3.73Å; F322-L375 HydrophobicContact CD2-CG 4.34Å; F322-L375 WeakPolarHBondContact CD2-O 3.28Å; F322-L375 HydrophobicContact CE2-CD2 3.92Å; F322-L375 HydrophobicContact CG-CB 4.35Å; F322-L375 HydrophobicContact CG-CD2 3.93Å; F322-L375 HydrophobicContact CZ-CD2 4.32Å; F322-M378 HydrophobicContact CE2-CB 3.81Å; F322-M378 HydrophobicContact CE2-CE 4.28Å; F322-M378 HydrophobicContact CZ-CE 4.11Å; F322-A379 HydrophobicContact CD2-CB 3.62Å; F322-A379 HydrophobicContact CE2-CB 4.09Å; F322-A379 HydrophobicContact CG-CB 4.42Å; F322-L381 HydrophobicContact CB-CD1 4.41Å |
| 323 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F152 M293 F302 Q319 V320 L327 | F152-A323 HydrophobicContact CE1-CB 3.58Å; F152-A323 HydrophobicContact CZ-CB 3.7Å; M293-A323 HydrophobicContact CE-CB 3.86Å; F302-A323 HydrophobicContact CD1-CB 3.73Å; F302-A323 HydrophobicContact CD2-CB 4.1Å; F302-A323 HydrophobicContact CE1-CB 3.89Å; F302-A323 HydrophobicContact CE2-CB 4.23Å; F302-A323 HydrophobicContact CG-CB 3.83Å; F302-A323 HydrophobicContact CZ-CB 4.13Å; Q319-A323 PolarHBondContact O-N 3Å; V320-A323 PolarHBondContact O-N 2.65Å; A323-L327 WeakPolarHBondContact O-CG 3.39Å; A323-L327 PolarHBondContact O-N 2.93Å |
| 324 | I | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -47.6 | 175.4 | -74.7 | 170.9 | 0 | 0 | 0 | 111.6 | H18 L19 I22 W25 V320 R321 F322 L326 L327 K328 | H18-I324 HydrophobicContact CB-CD1 3.35Å; L19-I324 HydrophobicContact CD2-CD1 3.99Å; L19-I324 HydrophobicContact CD2-CG1 3.77Å; L19-I324 HydrophobicContact CG-CD1 4.22Å; L19-I324 HydrophobicContact CG-CG1 4.48Å; I22-I324 HydrophobicContact CD1-CG2 3.56Å; W25-I324 HydrophobicContact CH2-CG2 4.27Å; W25-I324 HydrophobicContact CZ3-CG1 4.28Å; W25-I324 HydrophobicContact CZ3-CG2 4.37Å; V320-I324 HydrophobicContact CG1-CD1 3.88Å; V320-I324 WeakPolarHBondContact O-CG1 3.22Å; V320-I324 PolarHBondContact O-N 2.89Å; R321-I324 WeakPolarHBondContact O-CB 3.25Å; R321-I324 PolarHBondContact O-N 3.06Å; F322-I324 PolarHBondContact O-N 3.38Å; I324-L326 VanDerWaalsContact C-N 3.29Å; I324-L326 PolarHBondContact O-N 2.66Å; I324-L327 PolarHBondContact O-N 3.1Å; I324-K328 HydrophobicContact CG2-CD 4.14Å; I324-K328 VanDerWaalsContact CG2-CE 3.5Å; I324-K328 WeakPolarHBondContact O-CG 3.5Å; I324-K328 PolarHBondContact O-N 3.06Å |
| 325 | E | 98.7 | Very high | 98.3 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 179.5 | -66.4 | -49 | 124.2 | 0 | 0 | 112 | R321 F322 K328 G329 N330 V331 A379 L381 | R321-E325 PolarHBondContact O-N 2.68Å; F322-E325 PolarHBondContact O-N 2.71Å; E325-K328 PolarHBondContact O-N 2.87Å; E325-K328 IonicContact OE1-NZ 3.24Å; E325-K328 PolarHBondContact OE1-NZ 3.2Å; E325-G329 PolarHBondContact O-N 2.89Å; E325-N330 HydrophobicContact CB-CB 4.35Å; E325-N330 PolarHBondContact O-N 2.87Å; E325-N330 PolarHBondContact OE2-ND2 2.77Å; E325-V331 HydrophobicContact CB-CG2 3.92Å; E325-A379 HydrophobicContact CB-CB 4.09Å; E325-A379 HydrophobicContact CG-CB 4.42Å; E325-L381 HydrophobicContact CG-CD2 3.78Å |
| 326 | L | 98.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 169.9 | 176.1 | 59 | 0 | 0 | 0 | 112.1 | I294 F302 F322 I324 K328 G329 V331 L333 | I294-L326 HydrophobicContact CD1-CD2 4.3Å; I294-L326 HydrophobicContact CG1-CD2 4.23Å; F302-L326 HydrophobicContact CE1-CD2 3.73Å; F302-L326 HydrophobicContact CZ-CD2 4.04Å; F322-L326 HydrophobicContact CE1-CD2 4.35Å; F322-L326 PolarHBondContact O-N 3.46Å; I324-L326 VanDerWaalsContact C-N 3.29Å; I324-L326 PolarHBondContact O-N 2.66Å; L326-K328 VanDerWaalsContact C-N 3.27Å; L326-K328 PolarHBondContact O-N 2.86Å; L326-G329 PolarHBondContact O-N 2.84Å; L326-V331 HydrophobicContact CB-CB 4.28Å; L326-V331 HydrophobicContact CD1-CB 4.3Å; L326-V331 VanDerWaalsContact CD1-O 3.3Å; L326-V331 WeakPolarHBondContact CD1-O 3.33Å; L326-L333 HydrophobicContact CD1-CD1 4.08Å; L326-L333 HydrophobicContact CD1-CD2 4.18Å; L326-L333 HydrophobicContact CD1-CG 3.75Å; L326-L333 HydrophobicContact CD2-CD1 3.98Å; L326-L333 HydrophobicContact CD2-CD2 4.14Å; L326-L333 HydrophobicContact CD2-CG 4.23Å |
| 327 | L | 98.1 | Very high | 98.3 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -27.5 | 177.4 | -76.4 | 178.9 | 0 | 0 | 0 | 113.6 | I3 W25 F152 T300 F302 A323 I324 G329 | I3-L327 HydrophobicContact CD1-CD1 4.15Å; W25-L327 HydrophobicContact CH2-CB 3.59Å; W25-L327 HydrophobicContact CH2-CD1 4.2Å; W25-L327 HydrophobicContact CZ2-CB 4.15Å; W25-L327 HydrophobicContact CZ3-CB 4.36Å; W25-L327 HydrophobicContact CZ3-CD1 4.17Å; F152-L327 HydrophobicContact CE2-CD1 3.85Å; F152-L327 HydrophobicContact CZ-CD1 4.09Å; T300-L327 HydrophobicContact CG2-CD2 4.1Å; F302-L327 HydrophobicContact CE2-CD1 3.85Å; F302-L327 HydrophobicContact CE2-CD2 3.9Å; F302-L327 HydrophobicContact CE2-CG 3.75Å; F302-L327 HydrophobicContact CZ-CD2 4.12Å; F302-L327 HydrophobicContact CZ-CG 3.98Å; A323-L327 WeakPolarHBondContact O-CG 3.39Å; A323-L327 PolarHBondContact O-N 2.93Å; I324-L327 PolarHBondContact O-N 3.1Å; L327-G329 PolarHBondContact O-N 2.94Å |
| 328 | K | 97.5 | Very high | 98.2 | Very high | 94 Ų | 94 | 44.3 Ų | 44.3 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.4 | 171.8 | -71.4 | 172.6 | -176.6 | 168.3 | 0 | 113.1 | W25 I324 E325 L326 | W25-K328 HydrophobicContact CH2-CG 4.01Å; W25-K328 HydrophobicContact CZ2-CG 3.82Å; I324-K328 HydrophobicContact CG2-CD 4.14Å; I324-K328 VanDerWaalsContact CG2-CE 3.5Å; I324-K328 WeakPolarHBondContact O-CG 3.5Å; I324-K328 PolarHBondContact O-N 3.06Å; E325-K328 PolarHBondContact O-N 2.87Å; E325-K328 IonicContact OE1-NZ 3.24Å; E325-K328 PolarHBondContact OE1-NZ 3.2Å; L326-K328 VanDerWaalsContact C-N 3.27Å; L326-K328 PolarHBondContact O-N 2.86Å |
| 329 | G | 96.9 | Very high | 98.2 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 13 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E325 L326 L327 V331 | E325-G329 PolarHBondContact O-N 2.89Å; L326-G329 PolarHBondContact O-N 2.84Å; L327-G329 PolarHBondContact O-N 2.94Å; G329-V331 VanDerWaalsContact C-N 3.32Å |
| 330 | N | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 47.7 Ų | 47.7 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | trans | -83.1 | -11.5 | 179.1 | -66.8 | -23.1 | 0 | 0 | 0 | 112.6 | E325 | E325-N330 HydrophobicContact CB-CB 4.35Å; E325-N330 PolarHBondContact O-N 2.87Å; E325-N330 PolarHBondContact OE2-ND2 2.77Å | ||
| 331 | V | 97.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -121.3 | 130 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | F322 E325 L326 G329 A379 | F322-V331 HydrophobicContact CE2-CG1 4.13Å; F322-V331 HydrophobicContact CZ-CG1 3.85Å; E325-V331 HydrophobicContact CB-CG2 3.92Å; L326-V331 HydrophobicContact CB-CB 4.28Å; L326-V331 HydrophobicContact CD1-CB 4.3Å; L326-V331 VanDerWaalsContact CD1-O 3.3Å; L326-V331 WeakPolarHBondContact CD1-O 3.33Å; G329-V331 VanDerWaalsContact C-N 3.32Å; V331-A379 HydrophobicContact CG2-CB 3.61Å |
| 332 | S | 96.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 76% | 0.762 | 30% | 0.296 | S | S | * | . | trans | -97.7 | 131.9 | 171.9 | -65.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 333 | L | 98.1 | Very high | 98.2 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -85 | 148.7 | 173.5 | -65.5 | 178.7 | 0 | 0 | 0 | 110.9 | Y290 I294 P299 L326 M339 | Y290-L333 HydrophobicContact CD1-CD2 3.93Å; Y290-L333 HydrophobicContact CE1-CD2 3.85Å; I294-L333 HydrophobicContact CD1-CD2 4.27Å; I294-L333 HydrophobicContact CG2-CD1 4.24Å; P299-L333 HydrophobicContact CB-CD1 3.64Å; L326-L333 HydrophobicContact CD1-CD1 4.08Å; L326-L333 HydrophobicContact CD1-CD2 4.18Å; L326-L333 HydrophobicContact CD1-CG 3.75Å; L326-L333 HydrophobicContact CD2-CD1 3.98Å; L326-L333 HydrophobicContact CD2-CD2 4.14Å; L326-L333 HydrophobicContact CD2-CG 4.23Å; L333-M339 HydrophobicContact CB-SD 4.32Å; L333-M339 HydrophobicContact CD1-SD 4.3Å | ||
| 334 | P | 97.9 | Very high | 98.1 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 34% | 0.338 | 33% | 0.332 | S | S | . | . | trans | -71.8 | 178.5 | 171.6 | 32.9 | -34.3 | 0 | 0 | 0 | 110.9 | Y290 C338 M339 | Y290-P334 HydrophobicContact CE1-CG 4.27Å; Y290-P334 HydrophobicContact CE2-CG 4.47Å; P334-C338 HydrophobicContact CB-CB 3.86Å; P334-C338 HydrophobicContact CG-CB 4.32Å; P334-M339 HydrophobicContact CG-CG 3.75Å | ||
| 335 | S | 98.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -60.6 | 157.3 | 177.6 | 73.8 | 0 | 0 | 0 | 0 | 112 | E337 C338 M339 | S335-E337 PolarHBondContact O-N 3.13Å; S335-C338 WeakPolarHBondContact O-CB 3.37Å; S335-C338 PolarHBondContact O-N 3.15Å; S335-C338 VanDerWaalsContact O-N 3.1Å; S335-C338 PolarHBondContact OG-N 3.3Å; S335-C338 PolarHBondContact OG-SG 3.18Å; S335-M339 WeakPolarHBondContact O-CG 3.28Å; S335-M339 PolarHBondContact O-N 3.24Å | ||
| 336 | V | 98.4 | Very high | 98 | Very high | 69 Ų | 69 | 65 Ų | 65 | 42% | 0.418 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.7 | -41.1 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | I296 M339 L340 | I296-V336 HydrophobicContact CG2-CG1 3.87Å; V336-M339 HydrophobicContact CG2-CE 4.19Å; V336-M339 PolarHBondContact O-N 2.87Å; V336-L340 HydrophobicContact CG1-CD1 3.89Å; V336-L340 HydrophobicContact CG1-CG 4.38Å; V336-L340 VanDerWaalsContact O-CG 3.31Å; V336-L340 WeakPolarHBondContact O-CG 3.42Å; V336-L340 PolarHBondContact O-N 3.5Å |
| 337 | E | 98.6 | Very high | 97.9 | Very high | 139 Ų | 139 | 65.8 Ų | 65.8 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 176.4 | -175.8 | -178.7 | -179.6 | 0 | 0 | 112 | S335 M339 L340 N341 | S335-E337 PolarHBondContact O-N 3.13Å; E337-M339 VanDerWaalsContact C-N 3.32Å; E337-M339 PolarHBondContact O-N 3.08Å; E337-L340 PolarHBondContact O-N 2.71Å; E337-N341 WeakPolarHBondContact O-CB 3.41Å; E337-N341 PolarHBondContact O-N 2.99Å |
| 338 | C | 98.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 67.6 Ų | 67.6 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.4 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | P334 S335 N341 D342 | P334-C338 HydrophobicContact CB-CB 3.86Å; P334-C338 HydrophobicContact CG-CB 4.32Å; S335-C338 WeakPolarHBondContact O-CB 3.37Å; S335-C338 PolarHBondContact O-N 3.15Å; S335-C338 VanDerWaalsContact O-N 3.1Å; S335-C338 PolarHBondContact OG-N 3.3Å; S335-C338 PolarHBondContact OG-SG 3.18Å; C338-N341 PolarHBondContact O-N 2.86Å; C338-D342 WeakPolarHBondContact O-CB 3.45Å; C338-D342 PolarHBondContact O-N 3.31Å |
| 339 | M | 98.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 66.7 Ų | 66.7 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.3 | -69.7 | -167.1 | -75.1 | 0 | 0 | 112.5 | Y290 I296 L333 P334 S335 V336 E337 D342 E343 | Y290-M339 HydrophobicContact CD1-CG 3.92Å; Y290-M339 HydrophobicContact CD1-SD 3.67Å; Y290-M339 HydrophobicContact CD2-CB 3.89Å; Y290-M339 HydrophobicContact CD2-CG 3.74Å; Y290-M339 HydrophobicContact CD2-SD 4.44Å; Y290-M339 HydrophobicContact CE1-CG 4.32Å; Y290-M339 HydrophobicContact CE1-SD 4.39Å; Y290-M339 HydrophobicContact CE2-CG 4.17Å; Y290-M339 HydrophobicContact CG-CB 4Å; Y290-M339 HydrophobicContact CG-CG 3.62Å; Y290-M339 HydrophobicContact CG-SD 3.71Å; I296-M339 HydrophobicContact CD1-CB 3.8Å; I296-M339 HydrophobicContact CG1-CB 3.97Å; I296-M339 HydrophobicContact CG2-CB 4.3Å; I296-M339 HydrophobicContact CG2-CE 4.26Å; L333-M339 HydrophobicContact CB-SD 4.32Å; L333-M339 HydrophobicContact CD1-SD 4.3Å; P334-M339 HydrophobicContact CG-CG 3.75Å; S335-M339 WeakPolarHBondContact O-CG 3.28Å; S335-M339 PolarHBondContact O-N 3.24Å; V336-M339 HydrophobicContact CG2-CE 4.19Å; V336-M339 PolarHBondContact O-N 2.87Å; E337-M339 VanDerWaalsContact C-N 3.32Å; E337-M339 PolarHBondContact O-N 3.08Å; M339-D342 PolarHBondContact O-N 3.24Å; M339-E343 PolarHBondContact O-N 2.72Å |
| 340 | L | 98.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 34% | 0.335 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 176.9 | -71.7 | 168.2 | 0 | 0 | 0 | 111.9 | P288 I296 V336 E337 E343 K344 | P288-L340 HydrophobicContact CB-CD2 3.9Å; I296-L340 HydrophobicContact CD1-CD2 3.89Å; I296-L340 HydrophobicContact CD1-CG 4.26Å; I296-L340 HydrophobicContact CG2-CD2 4.14Å; I296-L340 HydrophobicContact CG2-CG 4.13Å; V336-L340 HydrophobicContact CG1-CD1 3.89Å; V336-L340 HydrophobicContact CG1-CG 4.38Å; V336-L340 VanDerWaalsContact O-CG 3.31Å; V336-L340 WeakPolarHBondContact O-CG 3.42Å; V336-L340 PolarHBondContact O-N 3.5Å; E337-L340 PolarHBondContact O-N 2.71Å; L340-E343 PolarHBondContact O-N 3.25Å; L340-K344 WeakPolarHBondContact O-CB 3.49Å; L340-K344 PolarHBondContact O-N 3.19Å |
| 341 | N | 98.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.2 | -74.9 | -17.3 | 0 | 0 | 0 | 111.4 | E337 C338 E343 K344 E345 | E337-N341 WeakPolarHBondContact O-CB 3.41Å; E337-N341 PolarHBondContact O-N 2.99Å; C338-N341 PolarHBondContact O-N 2.86Å; N341-E343 PolarHBondContact O-N 3.3Å; N341-K344 PolarHBondContact O-N 2.97Å; N341-E345 WeakPolarHBondContact O-CG 3.36Å; N341-E345 PolarHBondContact O-N 2.74Å |
| 342 | D | 98.5 | Very high | 97.4 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.112 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 174.1 | -176.9 | 99.4 | 0 | 0 | 0 | 110.9 | Y290 C338 M339 K344 E345 Q346 R374 | Y290-D342 HydrophobicContact CD2-CB 4.17Å; Y290-D342 HydrophobicContact CE2-CB 3.91Å; C338-D342 WeakPolarHBondContact O-CB 3.45Å; C338-D342 PolarHBondContact O-N 3.31Å; M339-D342 PolarHBondContact O-N 3.24Å; D342-K344 VanDerWaalsContact C-N 3.3Å; D342-K344 PolarHBondContact O-N 2.75Å; D342-E345 PolarHBondContact O-N 3.11Å; D342-Q346 VanDerWaalsContact O-CB 3.28Å; D342-Q346 WeakPolarHBondContact O-CB 3.19Å; D342-Q346 WeakPolarHBondContact O-CG 3.33Å; D342-Q346 PolarHBondContact O-N 3.05Å; D342-R374 IonicContact OD1-CZ 2.72Å; D342-R374 VanDerWaalsContact OD1-CZ 3.26Å; D342-R374 IonicContact OD1-NH1 2.76Å; D342-R374 PolarHBondContact OD1-NH1 2.89Å; D342-R374 IonicContact OD1-NH2 2.64Å; D342-R374 PolarHBondContact OD1-NH2 2.73Å; D342-R374 IonicContact OD2-NH1 2.77Å; D342-R374 PolarHBondContact OD2-NH1 3.19Å |
| 343 | E | 97.9 | Very high | 97.2 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 177.7 | -174.7 | -172.9 | -154.9 | 0 | 0 | 111.8 | S287 P288 L289 I296 M339 L340 N341 Q346 K347 | S287-E343 VanDerWaalsContact CB-OE1 3.25Å; S287-E343 WeakPolarHBondContact CB-OE1 3.19Å; P288-E343 WeakPolarHBondContact CA-OE1 3.46Å; P288-E343 WeakPolarHBondContact CA-OE2 3.49Å; P288-E343 WeakPolarHBondContact CB-OE2 3.22Å; L289-E343 VanDerWaalsContact N-CD 3.29Å; L289-E343 PolarHBondContact N-OE1 3.37Å; L289-E343 WeakPolarHBondContact O-CB 3.18Å; L289-E343 VanDerWaalsContact O-CG 3.31Å; L289-E343 WeakPolarHBondContact O-CG 3.26Å; I296-E343 HydrophobicContact CD1-CB 4.41Å; M339-E343 PolarHBondContact O-N 2.72Å; L340-E343 PolarHBondContact O-N 3.25Å; N341-E343 PolarHBondContact O-N 3.3Å; E343-Q346 PolarHBondContact O-N 3.03Å; E343-K347 HydrophobicContact CG-CD 4.15Å; E343-K347 HydrophobicContact CG-CG 4.47Å; E343-K347 WeakPolarHBondContact O-CB 3.45Å; E343-K347 WeakPolarHBondContact O-CG 3.37Å; E343-K347 PolarHBondContact O-N 3.12Å; E343-K347 WeakPolarHBondContact OE1-CE 3.28Å; E343-K347 IonicContact OE1-NZ 3.72Å; E343-K347 PolarHBondContact OE1-NZ 2.88Å; E343-K347 IonicContact OE2-NZ 3.58Å |
| 344 | K | 97.9 | Very high | 96.5 | Very high | 153 Ų | 153 | 70 Ų | 70 | 67% | 0.665 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.1 | -47.3 | 179.3 | -177.2 | -177 | 176.4 | -175.2 | 0 | 111.7 | L340 N341 D342 K347 A348 | L340-K344 WeakPolarHBondContact O-CB 3.49Å; L340-K344 PolarHBondContact O-N 3.19Å; N341-K344 PolarHBondContact O-N 2.97Å; D342-K344 VanDerWaalsContact C-N 3.3Å; D342-K344 PolarHBondContact O-N 2.75Å; K344-K347 PolarHBondContact O-N 3.27Å; K344-A348 WeakPolarHBondContact O-CB 3.22Å; K344-A348 PolarHBondContact O-N 3.14Å |
| 345 | E | 98.2 | Very high | 95.6 | Very high | 129 Ų | 129 | 71.6 Ų | 71.6 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 177.8 | -72.5 | 178.1 | -178.4 | 0 | 0 | 111.6 | N341 D342 K347 A348 L349 | N341-E345 WeakPolarHBondContact O-CG 3.36Å; N341-E345 PolarHBondContact O-N 2.74Å; D342-E345 PolarHBondContact O-N 3.11Å; E345-K347 VanDerWaalsContact C-N 3.35Å; E345-K347 PolarHBondContact O-N 2.99Å; E345-A348 PolarHBondContact O-N 3.26Å; E345-L349 WeakPolarHBondContact O-CB 3.33Å; E345-L349 PolarHBondContact O-N 2.63Å |
| 346 | Q | 97.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 178.8 | -72 | -53.1 | -49.5 | 0 | 0 | 112.2 | D342 E343 R350 | D342-Q346 VanDerWaalsContact O-CB 3.28Å; D342-Q346 WeakPolarHBondContact O-CB 3.19Å; D342-Q346 WeakPolarHBondContact O-CG 3.33Å; D342-Q346 PolarHBondContact O-N 3.05Å; E343-Q346 PolarHBondContact O-N 3.03Å; Q346-R350 WeakPolarHBondContact O-CG 3.42Å; Q346-R350 PolarHBondContact O-N 2.77Å; Q346-R350 PolarHBondContact O-NH1 3.05Å |
| 347 | K | 96 | Very high | 93.6 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67 | -46.4 | 172.8 | -75 | 178.5 | -177.9 | 167 | 0 | 111.5 | E343 K344 E345 L349 R350 L351 P361 | E343-K347 HydrophobicContact CG-CD 4.15Å; E343-K347 HydrophobicContact CG-CG 4.47Å; E343-K347 WeakPolarHBondContact O-CB 3.45Å; E343-K347 WeakPolarHBondContact O-CG 3.37Å; E343-K347 PolarHBondContact O-N 3.12Å; E343-K347 WeakPolarHBondContact OE1-CE 3.28Å; E343-K347 IonicContact OE1-NZ 3.72Å; E343-K347 PolarHBondContact OE1-NZ 2.88Å; E343-K347 IonicContact OE2-NZ 3.58Å; K344-K347 PolarHBondContact O-N 3.27Å; E345-K347 VanDerWaalsContact C-N 3.35Å; E345-K347 PolarHBondContact O-N 2.99Å; K347-L349 VanDerWaalsContact C-N 3.34Å; K347-L349 PolarHBondContact O-N 3.5Å; K347-R350 PolarHBondContact O-N 2.82Å; K347-L351 WeakPolarHBondContact O-CB 3.48Å; K347-L351 VanDerWaalsContact O-CG 3.29Å; K347-L351 WeakPolarHBondContact O-CG 3.48Å; K347-L351 PolarHBondContact O-N 2.81Å; K347-P361 HydrophobicContact CB-CB 4.48Å; K347-P361 HydrophobicContact CD-CB 4.4Å; K347-P361 HydrophobicContact CG-CB 3.92Å |
| 348 | A | 96.2 | Very high | 92.9 | Very high | 57 Ų | 57 | 73 Ų | 73 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K344 E345 L351 S352 | K344-A348 WeakPolarHBondContact O-CB 3.22Å; K344-A348 PolarHBondContact O-N 3.14Å; E345-A348 PolarHBondContact O-N 3.26Å; A348-L351 PolarHBondContact O-N 3.35Å; A348-S352 PolarHBondContact O-N 3.02Å; A348-S352 VanDerWaalsContact O-N 3.08Å |
| 349 | L | 96.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57 | -50.4 | 174.4 | 174.8 | 61.2 | 0 | 0 | 0 | 111.3 | E345 K347 S352 M353 L367 | E345-L349 WeakPolarHBondContact O-CB 3.33Å; E345-L349 PolarHBondContact O-N 2.63Å; K347-L349 VanDerWaalsContact C-N 3.34Å; K347-L349 PolarHBondContact O-N 3.5Å; L349-S352 PolarHBondContact O-N 3.24Å; L349-S352 PolarHBondContact O-OG 3.07Å; L349-M353 WeakPolarHBondContact O-CG 3.31Å; L349-M353 PolarHBondContact O-N 3.46Å; L349-L367 HydrophobicContact CD2-CD1 4.16Å; L349-L367 HydrophobicContact CD2-CD2 4.34Å; L349-L367 HydrophobicContact CG-CD1 4.37Å |
| 350 | R | 95.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | -178.6 | -71.3 | 165.6 | 176.7 | 74.1 | 2.3 | 112.3 | H292 Q346 K347 S352 M353 P361 Y363 M364 L367 | H292-R350 PolarHBondContact NE2-NH1 3.42Å; H292-R350 PolarHBondContact NE2-NH2 3.28Å; Q346-R350 WeakPolarHBondContact O-CG 3.42Å; Q346-R350 PolarHBondContact O-N 2.77Å; Q346-R350 PolarHBondContact O-NH1 3.05Å; K347-R350 PolarHBondContact O-N 2.82Å; R350-S352 PolarHBondContact O-N 3.43Å; R350-M353 WeakPolarHBondContact O-CB 3.34Å; R350-M353 PolarHBondContact O-N 3.33Å; R350-M353 VanDerWaalsContact O-N 3.16Å; R350-P361 WeakPolarHBondContact CD-O 3.42Å; R350-Y363 WeakPolarHBondContact CD-O 3.49Å; R350-Y363 WeakPolarHBondContact CG-O 3.22Å; R350-Y363 PolarHBondContact NE-O 2.88Å; R350-M364 PolarHBondContact NH2-SD 3.18Å; R350-L367 HydrophobicContact CG-CD1 3.94Å |
| 351 | L | 93.7 | Very high | 92 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -23.8 | 178.2 | -69.9 | 172.2 | 0 | 0 | 0 | 113.2 | K347 A348 | K347-L351 WeakPolarHBondContact O-CB 3.48Å; K347-L351 VanDerWaalsContact O-CG 3.29Å; K347-L351 WeakPolarHBondContact O-CG 3.48Å; K347-L351 PolarHBondContact O-N 2.81Å; A348-L351 PolarHBondContact O-N 3.35Å |
| 352 | S | 94.7 | Very high | 91.8 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -83.5 | -16.1 | 175.6 | 77.6 | 0 | 0 | 0 | 0 | 113.4 | A348 L349 R350 | A348-S352 PolarHBondContact O-N 3.02Å; A348-S352 VanDerWaalsContact O-N 3.08Å; L349-S352 PolarHBondContact O-N 3.24Å; L349-S352 PolarHBondContact O-OG 3.07Å; R350-S352 PolarHBondContact O-N 3.43Å |
| 353 | M | 93.2 | Very high | 91.7 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | trans | -72.7 | 135.3 | 177.4 | -64.9 | -176 | 80.2 | 0 | 0 | 111.8 | L349 R350 Q359 Y363 P366 L367 | L349-M353 WeakPolarHBondContact O-CG 3.31Å; L349-M353 PolarHBondContact O-N 3.46Å; R350-M353 WeakPolarHBondContact O-CB 3.34Å; R350-M353 PolarHBondContact O-N 3.33Å; R350-M353 VanDerWaalsContact O-N 3.16Å; M353-Q359 HydrophobicContact CB-CG 4.26Å; M353-Y363 HydrophobicContact CE-CE1 4.16Å; M353-Y363 HydrophobicContact SD-CD1 4.25Å; M353-Y363 HydrophobicContact SD-CE1 4.03Å; M353-P366 HydrophobicContact CE-CG 4.24Å; M353-L367 HydrophobicContact CE-CG 4.44Å; M353-L367 HydrophobicContact SD-CD1 3.55Å; M353-L367 VanDerWaalsContact SD-CD1 3.55Å; M353-L367 HydrophobicContact SD-CD2 4.48Å; M353-L367 HydrophobicContact SD-CG 3.99Å | ||
| 354 | K | 82.7 | Confident | 91.6 | Very high | 184 Ų | 184 | 63.8 Ų | 63.8 | 80% | 0.8 | 32% | 0.323 | S | S | * | . | B | Isolated β-bridge | trans | -118.4 | 117.3 | 165.8 | -64.9 | -174.7 | 179.2 | -175.1 | 0 | 108.3 | ||
| 355 | Q | 78.6 | Confident | 91.4 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 41% | 0.407 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -128.4 | 74.1 | 173.3 | -71.5 | -160.3 | 11.9 | 0 | 0 | 108.9 | Q357 Y363 P366 | Q355-Q357 PolarHBondContact N-O 3.05Å; Q355-Q357 PolarHBondContact O-N 2.75Å; Q355-Y363 PolarHBondContact NE2-OH 3.46Å; Q355-Y363 PolarHBondContact OE1-OH 2.73Å; Q355-P366 VanDerWaalsContact NE2-CD 3.27Å; Q355-P366 VanDerWaalsContact NE2-CG 3.31Å |
| 356 | G | 73.5 | Confident | 91.2 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 74.6 | -35.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | D222 D223 | D222-G356 WeakPolarHBondContact CB-O 3.35Å; D223-G356 WeakPolarHBondContact CB-O 3.29Å; D223-G356 PolarHBondContact N-O 3.47Å; D223-G356 VanDerWaalsContact OD2-CA 3.31Å; D223-G356 WeakPolarHBondContact OD2-CA 3.31Å |
| 357 | Q | 81.4 | Confident | 91.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -138.5 | 162.7 | 179 | 66.7 | -170 | -76.9 | 0 | 0 | 112.1 | D222 Q355 Q359 | D222-Q357 HydrophobicContact CB-CB 3.87Å; D222-Q357 WeakPolarHBondContact OD1-CB 3.31Å; Q355-Q357 PolarHBondContact N-O 3.05Å; Q355-Q357 PolarHBondContact O-N 2.75Å; Q357-Q359 PolarHBondContact O-N 3.17Å; Q357-Q359 PolarHBondContact O-NE2 2.86Å |
| 358 | R | 84.2 | Confident | 91.3 | Very high | 194 Ų | 194 | 50.1 Ų | 50.1 | 73% | 0.732 | 27% | 0.268 | S | S | * | . | B | Isolated β-bridge | trans | -64.2 | 130.2 | 170 | -178.6 | 179.1 | 178.9 | -176.3 | -1.5 | 109.2 | ||
| 359 | Q | 90 | Very high | 91.4 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 151.7 | -179.6 | -56.6 | -54 | -34.4 | 0 | 0 | 112.1 | M353 Q357 Y363 | M353-Q359 HydrophobicContact CB-CG 4.26Å; Q357-Q359 PolarHBondContact O-N 3.17Å; Q357-Q359 PolarHBondContact O-NE2 2.86Å; Q359-Y363 HydrophobicContact CB-CD1 3.97Å; Q359-Y363 HydrophobicContact CB-CD2 4.3Å; Q359-Y363 HydrophobicContact CB-CG 3.76Å; Q359-Y363 HydrophobicContact CG-CD1 3.86Å; Q359-Y363 HydrophobicContact CG-CD2 4.07Å; Q359-Y363 HydrophobicContact CG-CE1 4.09Å; Q359-Y363 HydrophobicContact CG-CE2 4.26Å; Q359-Y363 HydrophobicContact CG-CG 3.85Å; Q359-Y363 VanDerWaalsContact OE1-CE2 3.25Å |
| 360 | G | 91.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 24% | 0.237 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 167.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | M362 Y363 | G360-M362 PolarHBondContact O-N 3.36Å; G360-M362 VanDerWaalsContact O-N 3.08Å; G360-Y363 VanDerWaalsContact O-CB 3.24Å; G360-Y363 WeakPolarHBondContact O-CB 3.18Å; G360-Y363 PolarHBondContact O-N 2.92Å |
| 361 | P | 94.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.065 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18 | -178.3 | 24.8 | -36.3 | 0 | 0 | 0 | 115 | D283 C285 K347 R350 | D283-P361 WeakPolarHBondContact O-CD 3.41Å; D283-P361 WeakPolarHBondContact O-CG 3.44Å; C285-P361 HydrophobicContact CB-CB 4.25Å; C285-P361 HydrophobicContact CB-CG 3.68Å; K347-P361 HydrophobicContact CB-CB 4.48Å; K347-P361 HydrophobicContact CD-CB 4.4Å; K347-P361 HydrophobicContact CG-CB 3.92Å; R350-P361 WeakPolarHBondContact CD-O 3.42Å |
| 362 | M | 95.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 6.8 | 178.5 | -58.9 | -56.2 | -63.7 | 0 | 0 | 113.5 | F268 D284 C285 H292 L306 C307 R308 G360 | F268-M362 HydrophobicContact CE1-CG 4.3Å; F268-M362 HydrophobicContact CE2-CG 4.46Å; F268-M362 HydrophobicContact CZ-CB 4.21Å; F268-M362 HydrophobicContact CZ-CG 3.84Å; D284-M362 WeakPolarHBondContact O-CG 3.48Å; C285-M362 HydrophobicContact CB-CG 3.63Å; C285-M362 HydrophobicContact CB-SD 3.81Å; H292-M362 HydrophobicContact CB-CE 3.94Å; L306-M362 HydrophobicContact CB-CE 3.64Å; C307-M362 CarbonylContact C-O 3.58Å; C307-M362 WeakPolarHBondContact CA-O 3.17Å; R308-M362 PolarHBondContact N-O 2.79Å; G360-M362 PolarHBondContact O-N 3.36Å; G360-M362 VanDerWaalsContact O-N 3.08Å |
| 363 | Y | 95.5 | Very high | 92 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 136.1 | 178.3 | 173.7 | -99.4 | 0 | 0 | 0 | 111.7 | T309 R350 M353 Q355 Q359 G360 G365 P366 | T309-Y363 HydrophobicContact CG2-CE2 4.13Å; R350-Y363 WeakPolarHBondContact CD-O 3.49Å; R350-Y363 WeakPolarHBondContact CG-O 3.22Å; R350-Y363 PolarHBondContact NE-O 2.88Å; M353-Y363 HydrophobicContact CE-CE1 4.16Å; M353-Y363 HydrophobicContact SD-CD1 4.25Å; M353-Y363 HydrophobicContact SD-CE1 4.03Å; Q355-Y363 PolarHBondContact NE2-OH 3.46Å; Q355-Y363 PolarHBondContact OE1-OH 2.73Å; Q359-Y363 HydrophobicContact CB-CD1 3.97Å; Q359-Y363 HydrophobicContact CB-CD2 4.3Å; Q359-Y363 HydrophobicContact CB-CG 3.76Å; Q359-Y363 HydrophobicContact CG-CD1 3.86Å; Q359-Y363 HydrophobicContact CG-CD2 4.07Å; Q359-Y363 HydrophobicContact CG-CE1 4.09Å; Q359-Y363 HydrophobicContact CG-CE2 4.26Å; Q359-Y363 HydrophobicContact CG-CG 3.85Å; Q359-Y363 VanDerWaalsContact OE1-CE2 3.25Å; G360-Y363 VanDerWaalsContact O-CB 3.24Å; G360-Y363 WeakPolarHBondContact O-CB 3.18Å; G360-Y363 PolarHBondContact O-N 2.92Å; Y363-G365 WeakPolarHBondContact OH-CA 3.24Å; Y363-P366 WeakPolarHBondContact OH-CD 3.3Å |
| 364 | M | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -114.3 | -65.7 | 172.7 | -72.5 | -68.3 | -175.2 | 0 | 0 | 111.9 | H292 C307 R308 V310 F315 R350 P366 L367 Q368 Y371 | H292-M364 HydrophobicContact CB-CE 4.35Å; H292-M364 VanDerWaalsContact CD2-CE 3.44Å; H292-M364 WeakPolarHBondContact CD2-CE 3.48Å; C307-M364 HydrophobicContact CB-CE 4.18Å; C307-M364 HydrophobicContact CB-CG 3.58Å; C307-M364 WeakPolarHBondContact SG-CE 3.4Å; R308-M364 PolarHBondContact O-N 3.48Å; V310-M364 HydrophobicContact CG1-CB 3.6Å; V310-M364 HydrophobicContact CG1-CG 3.74Å; F315-M364 HydrophobicContact CE2-CE 4.49Å; F315-M364 HydrophobicContact CE2-CG 4.25Å; F315-M364 HydrophobicContact CZ-CE 4.14Å; F315-M364 HydrophobicContact CZ-CG 4.38Å; R350-M364 PolarHBondContact NH2-SD 3.18Å; M364-P366 WeakPolarHBondContact O-CD 3.37Å; M364-P366 VanDerWaalsContact O-N 3.16Å; M364-L367 WeakPolarHBondContact O-CA 3.33Å; M364-L367 VanDerWaalsContact O-CB 3.23Å; M364-L367 WeakPolarHBondContact O-CB 3.48Å; M364-L367 PolarHBondContact O-N 3.47Å; M364-L367 HydrophobicContact SD-CB 4.43Å; M364-Q368 HydrophobicContact CB-CB 3.84Å; M364-Q368 HydrophobicContact CG-CB 4.48Å; M364-Y371 HydrophobicContact CE-CD1 3.94Å; M364-Y371 HydrophobicContact CE-CD2 3.78Å; M364-Y371 HydrophobicContact CE-CE1 4.18Å; M364-Y371 HydrophobicContact CE-CE2 4.03Å; M364-Y371 HydrophobicContact CE-CG 3.71Å; M364-Y371 HydrophobicContact SD-CG 4.24Å | ||
| 365 | G | 94 | Very high | 93 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | 50.5 | -121.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T309 Y363 L367 Q368 | T309-G365 WeakPolarHBondContact O-CA 3.21Å; T309-G365 PolarHBondContact O-N 2.9Å; Y363-G365 WeakPolarHBondContact OH-CA 3.24Å; G365-L367 PolarHBondContact O-N 3.3Å; G365-Q368 VanDerWaalsContact O-CG 3.29Å; G365-Q368 WeakPolarHBondContact O-CG 3.25Å; G365-Q368 PolarHBondContact O-N 2.92Å; G365-Q368 PolarHBondContact O-NE2 3.31Å |
| 366 | P | 94.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 34.1 Ų | 34.1 | 29% | 0.286 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -68.9 | -18.3 | 176.9 | 30.7 | -35.3 | 0 | 0 | 0 | 113.9 | M353 Q355 Y363 M364 Q368 P370 | M353-P366 HydrophobicContact CE-CG 4.24Å; Q355-P366 VanDerWaalsContact NE2-CD 3.27Å; Q355-P366 VanDerWaalsContact NE2-CG 3.31Å; Y363-P366 WeakPolarHBondContact OH-CD 3.3Å; M364-P366 WeakPolarHBondContact O-CD 3.37Å; M364-P366 VanDerWaalsContact O-N 3.16Å; P366-Q368 PolarHBondContact O-N 3.12Å; P366-P370 WeakPolarHBondContact O-CD 3.32Å |
| 367 | L | 96.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -72.8 | -12.7 | 175.8 | -58.4 | 178.7 | 0 | 0 | 0 | 112.9 | L349 R350 M353 M364 G365 W369 P370 Y371 | L349-L367 HydrophobicContact CD2-CD1 4.16Å; L349-L367 HydrophobicContact CD2-CD2 4.34Å; L349-L367 HydrophobicContact CG-CD1 4.37Å; R350-L367 HydrophobicContact CG-CD1 3.94Å; M353-L367 HydrophobicContact CE-CG 4.44Å; M353-L367 HydrophobicContact SD-CD1 3.55Å; M353-L367 VanDerWaalsContact SD-CD1 3.55Å; M353-L367 HydrophobicContact SD-CD2 4.48Å; M353-L367 HydrophobicContact SD-CG 3.99Å; M364-L367 WeakPolarHBondContact O-CA 3.33Å; M364-L367 VanDerWaalsContact O-CB 3.23Å; M364-L367 WeakPolarHBondContact O-CB 3.48Å; M364-L367 PolarHBondContact O-N 3.47Å; M364-L367 HydrophobicContact SD-CB 4.43Å; G365-L367 PolarHBondContact O-N 3.3Å; L367-W369 PolarHBondContact O-N 2.84Å; L367-P370 WeakPolarHBondContact O-CD 3.36Å; L367-P370 WeakPolarHBondContact O-CG 3.5Å; L367-Y371 WeakPolarHBondContact O-CB 3.48Å; L367-Y371 PolarHBondContact O-N 3.3Å |
| 368 | Q | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -34.5 | 178.6 | 80.4 | -170.7 | -79.3 | 0 | 0 | 111.8 | V310 F315 M364 G365 P366 Y371 L372 Y392 | V310-Q368 HydrophobicContact CG1-CB 4.44Å; F315-Q368 HydrophobicContact CD2-CB 4.4Å; F315-Q368 HydrophobicContact CE2-CB 4.29Å; M364-Q368 HydrophobicContact CB-CB 3.84Å; M364-Q368 HydrophobicContact CG-CB 4.48Å; G365-Q368 VanDerWaalsContact O-CG 3.29Å; G365-Q368 WeakPolarHBondContact O-CG 3.25Å; G365-Q368 PolarHBondContact O-N 2.92Å; G365-Q368 PolarHBondContact O-NE2 3.31Å; P366-Q368 PolarHBondContact O-N 3.12Å; Q368-Y371 WeakPolarHBondContact O-CB 3.18Å; Q368-Y371 PolarHBondContact O-N 3.38Å; Q368-L372 WeakPolarHBondContact O-CB 3.2Å; Q368-L372 WeakPolarHBondContact O-CG 3.26Å; Q368-L372 PolarHBondContact O-N 2.87Å; Q368-Y392 VanDerWaalsContact NE2-CZ 3.28Å; Q368-Y392 PolarHBondContact NE2-OH 3.06Å |
| 369 | W | 97.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 2% | 0.023 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -58.1 | -175.7 | -47.3 | 114.8 | 0 | 0 | 0 | 112.4 | L311 L367 Y371 L372 D373 I384 E389 Y392 R393 | L311-W369 HydrophobicContact CB-CH2 4.36Å; L311-W369 HydrophobicContact CD2-CH2 4.17Å; L367-W369 PolarHBondContact O-N 2.84Å; W369-Y371 PolarHBondContact O-N 3.07Å; W369-Y371 VanDerWaalsContact O-N 3.16Å; W369-L372 HydrophobicContact CE3-CD1 4.32Å; W369-L372 HydrophobicContact CZ3-CD1 4.39Å; W369-L372 PolarHBondContact O-N 2.87Å; W369-L372 VanDerWaalsContact O-N 3.08Å; W369-D373 PolarHBondContact O-N 3.23Å; W369-I384 HydrophobicContact CE3-CD1 4.19Å; W369-I384 HydrophobicContact CZ3-CD1 4Å; W369-E389 HydrophobicContact CD2-CB 3.81Å; W369-E389 HydrophobicContact CD2-CG 3.64Å; W369-E389 HydrophobicContact CE3-CB 3.74Å; W369-E389 HydrophobicContact CE3-CG 4.11Å; W369-E389 VanDerWaalsContact CG-CD 3.46Å; W369-E389 HydrophobicContact CG-CG 3.92Å; W369-E389 HydrophobicContact CH2-CB 3.99Å; W369-E389 HydrophobicContact CZ2-CB 4.04Å; W369-E389 HydrophobicContact CZ2-CG 4.13Å; W369-E389 HydrophobicContact CZ3-CB 3.83Å; W369-Y392 HydrophobicContact CH2-CG 4.2Å; W369-Y392 AromaticContact CZ2-CD1 3.61Å; W369-Y392 HydrophobicContact CZ2-CD1 3.61Å; W369-Y392 HydrophobicContact CZ2-CD2 4.27Å; W369-Y392 HydrophobicContact CZ2-CE1 4.36Å; W369-Y392 AromaticContact CZ2-CG 3.57Å; W369-Y392 HydrophobicContact CZ2-CG 3.57Å; W369-R393 VanDerWaalsContact CD1-NH2 3.35Å |
| 370 | P | 97.6 | Very high | 97 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.5 | -26.5 | 174.8 | 25.8 | -35.6 | 0 | 0 | 0 | 112.7 | P366 L367 R374 | P366-P370 WeakPolarHBondContact O-CD 3.32Å; L367-P370 WeakPolarHBondContact O-CD 3.36Å; L367-P370 WeakPolarHBondContact O-CG 3.5Å; P370-R374 VanDerWaalsContact O-CB 3.28Å; P370-R374 WeakPolarHBondContact O-CB 3.34Å; P370-R374 PolarHBondContact O-N 3.29Å |
| 371 | Y | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 171.9 | 169.2 | -97 | 0 | 0 | 0 | 112.3 | L291 H292 F315 Q319 M364 L367 Q368 W369 R374 L375 | L291-Y371 HydrophobicContact CB-CE2 4.25Å; L291-Y371 WeakPolarHBondContact O-CE2 3.42Å; L291-Y371 VanDerWaalsContact O-CZ 3.31Å; L291-Y371 PolarHBondContact O-OH 2.8Å; H292-Y371 AromaticContact CD2-CE2 3.93Å; F315-Y371 HydrophobicContact CD2-CD1 4.45Å; F315-Y371 HydrophobicContact CD2-CE1 4.47Å; F315-Y371 HydrophobicContact CE1-CE1 4.07Å; F315-Y371 AromaticContact CE2-CD1 3.47Å; F315-Y371 HydrophobicContact CE2-CD1 3.47Å; F315-Y371 VanDerWaalsContact CE2-CD1 3.47Å; F315-Y371 AromaticContact CE2-CE1 3.5Å; F315-Y371 HydrophobicContact CE2-CE1 3.5Å; F315-Y371 VanDerWaalsContact CE2-CE1 3.5Å; F315-Y371 AromaticContact CZ-CD1 3.69Å; F315-Y371 HydrophobicContact CZ-CD1 3.69Å; F315-Y371 AromaticContact CZ-CE1 3.24Å; F315-Y371 HydrophobicContact CZ-CE1 3.24Å; Q319-Y371 HydrophobicContact CG-CE1 4.47Å; Q319-Y371 PolarHBondContact NE2-OH 2.86Å; M364-Y371 HydrophobicContact CE-CD1 3.94Å; M364-Y371 HydrophobicContact CE-CD2 3.78Å; M364-Y371 HydrophobicContact CE-CE1 4.18Å; M364-Y371 HydrophobicContact CE-CE2 4.03Å; M364-Y371 HydrophobicContact CE-CG 3.71Å; M364-Y371 HydrophobicContact SD-CG 4.24Å; L367-Y371 WeakPolarHBondContact O-CB 3.48Å; L367-Y371 PolarHBondContact O-N 3.3Å; Q368-Y371 WeakPolarHBondContact O-CB 3.18Å; Q368-Y371 PolarHBondContact O-N 3.38Å; W369-Y371 PolarHBondContact O-N 3.07Å; W369-Y371 VanDerWaalsContact O-N 3.16Å; Y371-R374 WeakPolarHBondContact O-CB 3.4Å; Y371-R374 PolarHBondContact O-N 2.78Å; Y371-L375 HydrophobicContact CD1-CD1 4.48Å; Y371-L375 HydrophobicContact CE1-CD1 3.68Å; Y371-L375 HydrophobicContact CE1-CG 4.34Å; Y371-L375 HydrophobicContact CE2-CD1 4.39Å; Y371-L375 HydrophobicContact CE2-CD2 4.49Å; Y371-L375 HydrophobicContact CE2-CG 4.43Å; Y371-L375 PolarHBondContact O-N 2.87Å; Y371-L375 VanDerWaalsContact O-N 3.12Å |
| 372 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.7 | -69 | 169.8 | 0 | 0 | 0 | 110.6 | F315 V318 Q368 W369 R374 L375 I376 I384 | F315-L372 HydrophobicContact CB-CD2 4.48Å; F315-L372 HydrophobicContact CD2-CD1 4.16Å; F315-L372 HydrophobicContact CD2-CD2 3.77Å; F315-L372 HydrophobicContact CD2-CG 4.1Å; F315-L372 HydrophobicContact CE2-CD2 4.25Å; F315-L372 HydrophobicContact CE2-CG 4.48Å; F315-L372 HydrophobicContact CG-CD2 4.21Å; V318-L372 HydrophobicContact CB-CD2 3.68Å; V318-L372 HydrophobicContact CG1-CD2 3.78Å; V318-L372 HydrophobicContact CG2-CD2 3.99Å; Q368-L372 WeakPolarHBondContact O-CB 3.2Å; Q368-L372 WeakPolarHBondContact O-CG 3.26Å; Q368-L372 PolarHBondContact O-N 2.87Å; W369-L372 HydrophobicContact CE3-CD1 4.32Å; W369-L372 HydrophobicContact CZ3-CD1 4.39Å; W369-L372 PolarHBondContact O-N 2.87Å; W369-L372 VanDerWaalsContact O-N 3.08Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.2Å; L372-L375 PolarHBondContact O-N 3.24Å; L372-L375 VanDerWaalsContact O-N 3.14Å; L372-I376 HydrophobicContact CB-CD1 4.48Å; L372-I376 WeakPolarHBondContact O-CB 3.16Å; L372-I376 WeakPolarHBondContact O-CD1 3.37Å; L372-I376 VanDerWaalsContact O-CG1 3.25Å; L372-I376 WeakPolarHBondContact O-CG1 3.35Å; L372-I376 PolarHBondContact O-N 3.19Å; L372-I384 HydrophobicContact CD1-CD1 4.06Å |
| 373 | D | 98.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 175.3 | -68.5 | -22.2 | 0 | 0 | 0 | 111.9 | W369 I376 T377 | W369-D373 PolarHBondContact O-N 3.23Å; D373-I376 PolarHBondContact O-N 2.8Å; D373-T377 VanDerWaalsContact O-CB 3.24Å; D373-T377 WeakPolarHBondContact O-CB 3.06Å; D373-T377 PolarHBondContact O-N 3.42Å; D373-T377 PolarHBondContact O-OG1 3.08Å |
| 374 | R | 98.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 30% | 0.302 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.7 | -178.2 | 179.8 | -176.1 | -174.3 | 5.7 | 111.1 | Y290 L291 D342 P370 Y371 L372 M378 | Y290-R374 PolarHBondContact OH-NH2 2.76Å; L291-R374 VanDerWaalsContact CD2-CZ 3.42Å; D342-R374 IonicContact OD1-CZ 2.72Å; D342-R374 VanDerWaalsContact OD1-CZ 3.26Å; D342-R374 IonicContact OD1-NH1 2.76Å; D342-R374 PolarHBondContact OD1-NH1 2.89Å; D342-R374 IonicContact OD1-NH2 2.64Å; D342-R374 PolarHBondContact OD1-NH2 2.73Å; D342-R374 IonicContact OD2-NH1 2.77Å; D342-R374 PolarHBondContact OD2-NH1 3.19Å; P370-R374 VanDerWaalsContact O-CB 3.28Å; P370-R374 WeakPolarHBondContact O-CB 3.34Å; P370-R374 PolarHBondContact O-N 3.29Å; Y371-R374 WeakPolarHBondContact O-CB 3.4Å; Y371-R374 PolarHBondContact O-N 2.78Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.2Å; R374-M378 HydrophobicContact CG-CG 4.42Å; R374-M378 HydrophobicContact CG-SD 3.72Å; R374-M378 VanDerWaalsContact O-CB 3.27Å; R374-M378 WeakPolarHBondContact O-CB 3.18Å; R374-M378 WeakPolarHBondContact O-CG 3.4Å; R374-M378 PolarHBondContact O-N 3.12Å |
| 375 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 177 | -63.3 | -173.1 | 0 | 0 | 0 | 111.7 | L291 M293 V318 Q319 F322 Y371 L372 T377 M378 A379 | L291-L375 HydrophobicContact CB-CD2 4.2Å; L291-L375 HydrophobicContact CD1-CD2 3.72Å; L291-L375 HydrophobicContact CD2-CD2 4.49Å; L291-L375 HydrophobicContact CG-CD2 4.35Å; M293-L375 HydrophobicContact SD-CD1 4.08Å; M293-L375 HydrophobicContact SD-CD2 4.35Å; V318-L375 HydrophobicContact CG1-CB 3.79Å; V318-L375 HydrophobicContact CG1-CD1 3.94Å; V318-L375 HydrophobicContact CG1-CG 4.49Å; Q319-L375 HydrophobicContact CG-CD1 4.08Å; F322-L375 HydrophobicContact CB-CB 4.42Å; F322-L375 HydrophobicContact CD1-CD2 4.31Å; F322-L375 HydrophobicContact CD2-CB 3.87Å; F322-L375 HydrophobicContact CD2-CD2 3.73Å; F322-L375 HydrophobicContact CD2-CG 4.34Å; F322-L375 WeakPolarHBondContact CD2-O 3.28Å; F322-L375 HydrophobicContact CE2-CD2 3.92Å; F322-L375 HydrophobicContact CG-CB 4.35Å; F322-L375 HydrophobicContact CG-CD2 3.93Å; F322-L375 HydrophobicContact CZ-CD2 4.32Å; Y371-L375 HydrophobicContact CD1-CD1 4.48Å; Y371-L375 HydrophobicContact CE1-CD1 3.68Å; Y371-L375 HydrophobicContact CE1-CG 4.34Å; Y371-L375 HydrophobicContact CE2-CD1 4.39Å; Y371-L375 HydrophobicContact CE2-CD2 4.49Å; Y371-L375 HydrophobicContact CE2-CG 4.43Å; Y371-L375 PolarHBondContact O-N 2.87Å; Y371-L375 VanDerWaalsContact O-N 3.12Å; L372-L375 PolarHBondContact O-N 3.24Å; L372-L375 VanDerWaalsContact O-N 3.14Å; L375-T377 VanDerWaalsContact C-N 3.32Å; L375-T377 PolarHBondContact O-N 2.99Å; L375-M378 PolarHBondContact O-N 2.78Å; L375-A379 WeakPolarHBondContact O-CB 3.38Å; L375-A379 PolarHBondContact O-N 2.86Å |
| 376 | I | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -46.5 | -179.8 | -71.8 | 162.6 | 0 | 0 | 0 | 110.5 | V318 L372 D373 H380 L381 I384 | V318-I376 HydrophobicContact CG1-CD1 4.48Å; V318-I376 HydrophobicContact CG1-CG1 3.95Å; V318-I376 HydrophobicContact CG2-CD1 4.3Å; V318-I376 HydrophobicContact CG2-CG1 4.41Å; L372-I376 HydrophobicContact CB-CD1 4.48Å; L372-I376 WeakPolarHBondContact O-CB 3.16Å; L372-I376 WeakPolarHBondContact O-CD1 3.37Å; L372-I376 VanDerWaalsContact O-CG1 3.25Å; L372-I376 WeakPolarHBondContact O-CG1 3.35Å; L372-I376 PolarHBondContact O-N 3.19Å; D373-I376 PolarHBondContact O-N 2.8Å; I376-H380 WeakPolarHBondContact O-CA 3.31Å; I376-H380 PolarHBondContact O-N 3.21Å; I376-L381 HydrophobicContact CB-CB 4.43Å; I376-L381 HydrophobicContact CG1-CB 4.36Å; I376-L381 HydrophobicContact CG2-CB 4.3Å; I376-L381 WeakPolarHBondContact CG2-O 3.16Å; I376-L381 PolarHBondContact O-N 3.26Å; I376-I384 HydrophobicContact CD1-CG1 4.43Å; I376-I384 HydrophobicContact CD1-CG2 4.25Å |
| 377 | T | 98.3 | Very high | 97.4 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.1 | -47.2 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | D373 L375 A379 H380 | D373-T377 VanDerWaalsContact O-CB 3.24Å; D373-T377 WeakPolarHBondContact O-CB 3.06Å; D373-T377 PolarHBondContact O-N 3.42Å; D373-T377 PolarHBondContact O-OG1 3.08Å; L375-T377 VanDerWaalsContact C-N 3.32Å; L375-T377 PolarHBondContact O-N 2.99Å; T377-A379 VanDerWaalsContact C-N 3.26Å; T377-A379 PolarHBondContact O-N 3.08Å; T377-H380 PolarHBondContact O-N 2.82Å |
| 378 | M | 98.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -30.7 | -178.1 | -76.6 | 177.3 | 63 | 0 | 0 | 113.2 | L291 F322 R374 L375 | L291-M378 HydrophobicContact CD1-CE 4.1Å; L291-M378 HydrophobicContact CD1-SD 4.3Å; F322-M378 HydrophobicContact CE2-CB 3.81Å; F322-M378 HydrophobicContact CE2-CE 4.28Å; F322-M378 HydrophobicContact CZ-CE 4.11Å; R374-M378 HydrophobicContact CG-CG 4.42Å; R374-M378 HydrophobicContact CG-SD 3.72Å; R374-M378 VanDerWaalsContact O-CB 3.27Å; R374-M378 WeakPolarHBondContact O-CB 3.18Å; R374-M378 WeakPolarHBondContact O-CG 3.4Å; R374-M378 PolarHBondContact O-N 3.12Å; L375-M378 PolarHBondContact O-N 2.78Å |
| 379 | A | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 8.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F322 E325 V331 L375 T377 L381 | F322-A379 HydrophobicContact CD2-CB 3.62Å; F322-A379 HydrophobicContact CE2-CB 4.09Å; F322-A379 HydrophobicContact CG-CB 4.42Å; E325-A379 HydrophobicContact CB-CB 4.09Å; E325-A379 HydrophobicContact CG-CB 4.42Å; V331-A379 HydrophobicContact CG2-CB 3.61Å; L375-A379 WeakPolarHBondContact O-CB 3.38Å; L375-A379 PolarHBondContact O-N 2.86Å; T377-A379 VanDerWaalsContact C-N 3.26Å; T377-A379 PolarHBondContact O-N 3.08Å; A379-L381 HydrophobicContact CB-CD1 4.12Å; A379-L381 HydrophobicContact CB-CD2 3.84Å; A379-L381 HydrophobicContact CB-CG 3.68Å; A379-L381 PolarHBondContact O-N 3.13Å |
| 380 | H | 97.9 | Very high | 97.3 | Very high | 172 Ų | 172 | 54 Ų | 54 | 80% | 0.796 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 42.3 | -178.1 | -56 | -66.3 | 0 | 0 | 0 | 113.3 | I376 T377 | I376-H380 WeakPolarHBondContact O-CA 3.31Å; I376-H380 PolarHBondContact O-N 3.21Å; T377-H380 PolarHBondContact O-N 2.82Å |
| 381 | L | 98.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 159.3 | -176.9 | -55.3 | -179.5 | 0 | 0 | 0 | 111.4 | V318 R321 F322 E325 I376 A379 | V318-L381 HydrophobicContact CG1-CD1 4.38Å; R321-L381 HydrophobicContact CB-CD1 3.89Å; R321-L381 HydrophobicContact CB-CD2 4.05Å; F322-L381 HydrophobicContact CB-CD1 4.41Å; E325-L381 HydrophobicContact CG-CD2 3.78Å; I376-L381 HydrophobicContact CB-CB 4.43Å; I376-L381 HydrophobicContact CG1-CB 4.36Å; I376-L381 HydrophobicContact CG2-CB 4.3Å; I376-L381 WeakPolarHBondContact CG2-O 3.16Å; I376-L381 PolarHBondContact O-N 3.26Å; A379-L381 HydrophobicContact CB-CD1 4.12Å; A379-L381 HydrophobicContact CB-CD2 3.84Å; A379-L381 HydrophobicContact CB-CG 3.68Å; A379-L381 PolarHBondContact O-N 3.13Å |
| 382 | E | 96.8 | Very high | 97.2 | Very high | 160 Ų | 160 | 50.9 Ų | 50.9 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 132.1 | 165.7 | -68.6 | -178.4 | 160.5 | 0 | 0 | 110.2 | R321 | R321-E382 PolarHBondContact NH1-O 2.77Å; R321-E382 VanDerWaalsContact NH1-O 3.09Å |
| 383 | P | 95.4 | Very high | 97.1 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 155.5 | -179.3 | 29.7 | -35 | 0 | 0 | 0 | 111.4 | ||
| 384 | I | 94.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 147.7 | 173.8 | 60.1 | 169.1 | 0 | 0 | 0 | 110.8 | V318 W369 L372 I376 L388 | V318-I384 HydrophobicContact CG2-CG2 3.82Å; W369-I384 HydrophobicContact CE3-CD1 4.19Å; W369-I384 HydrophobicContact CZ3-CD1 4Å; L372-I384 HydrophobicContact CD1-CD1 4.06Å; I376-I384 HydrophobicContact CD1-CG1 4.43Å; I376-I384 HydrophobicContact CD1-CG2 4.25Å; I384-L388 HydrophobicContact CB-CD1 4.03Å; I384-L388 HydrophobicContact CD1-CD1 4.5Å |
| 385 | P | 94.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 24% | 0.24 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 133.5 | 177.6 | -26.6 | 35 | 0 | 0 | 0 | 113 | Y387 L388 | P385-Y387 HydrophobicContact CB-CD1 3.43Å; P385-Y387 VanDerWaalsContact CB-CD1 3.43Å; P385-Y387 HydrophobicContact CB-CE1 3.15Å; P385-Y387 HydrophobicContact CB-CG 4.31Å; P385-Y387 HydrophobicContact CG-CD1 4.49Å; P385-Y387 HydrophobicContact CG-CE1 3.77Å; P385-Y387 PolarHBondContact O-N 3.34Å; P385-Y387 VanDerWaalsContact O-N 3.14Å; P385-L388 WeakPolarHBondContact O-CB 3.31Å; P385-L388 PolarHBondContact O-N 3.02Å; P385-L388 VanDerWaalsContact O-N 3.11Å |
| 386 | P | 95.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.4 | -29 | -179.3 | -28.4 | 34.1 | 0 | 0 | 0 | 115.5 | L388 E389 H390 D416 L434 | P386-L388 PolarHBondContact O-N 3.35Å; P386-E389 PolarHBondContact O-N 2.9Å; P386-H390 WeakPolarHBondContact O-CB 3.41Å; P386-H390 PolarHBondContact O-N 3.14Å; P386-H390 VanDerWaalsContact O-N 3.12Å; P386-D416 VanDerWaalsContact CD-O 3.24Å; P386-D416 WeakPolarHBondContact CD-O 3.41Å; P386-L434 HydrophobicContact CB-CD2 3.85Å |
| 387 | Y | 96.1 | Very high | 96 | Very high | 40 Ų | 40 | 57 Ų | 57 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -27.7 | 178.2 | 71 | -105.3 | 0 | 0 | 0 | 112.9 | I69 P385 H390 I391 L413 D416 | I69-Y387 HydrophobicContact CG2-CD2 4.16Å; I69-Y387 HydrophobicContact CG2-CE2 4.3Å; P385-Y387 HydrophobicContact CB-CD1 3.43Å; P385-Y387 VanDerWaalsContact CB-CD1 3.43Å; P385-Y387 HydrophobicContact CB-CE1 3.15Å; P385-Y387 HydrophobicContact CB-CG 4.31Å; P385-Y387 HydrophobicContact CG-CD1 4.49Å; P385-Y387 HydrophobicContact CG-CE1 3.77Å; P385-Y387 PolarHBondContact O-N 3.34Å; P385-Y387 VanDerWaalsContact O-N 3.14Å; Y387-H390 PolarHBondContact O-N 3.21Å; Y387-I391 HydrophobicContact CD2-CD1 3.97Å; Y387-I391 WeakPolarHBondContact O-CB 3.49Å; Y387-I391 WeakPolarHBondContact O-CD1 3.43Å; Y387-I391 VanDerWaalsContact O-CG1 3.3Å; Y387-I391 WeakPolarHBondContact O-CG1 3.25Å; Y387-I391 PolarHBondContact O-N 2.81Å; Y387-L413 HydrophobicContact CD2-CD1 4.26Å; Y387-L413 HydrophobicContact CD2-CD2 3.7Å; Y387-L413 HydrophobicContact CE1-CD1 4.3Å; Y387-L413 HydrophobicContact CE2-CD1 3.82Å; Y387-L413 HydrophobicContact CE2-CD2 4.08Å; Y387-L413 HydrophobicContact CG-CD2 4.07Å; Y387-D416 WeakPolarHBondContact CD1-O 3.36Å; Y387-D416 PolarHBondContact N-O 3.28Å |
| 388 | L | 97 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -51 | -178.6 | -66.1 | 176.6 | 0 | 0 | 0 | 111.1 | I69 L311 P314 I384 P385 P386 Y392 | I69-L388 HydrophobicContact CB-CD2 3.77Å; I69-L388 HydrophobicContact CG2-CD2 3.86Å; L311-L388 HydrophobicContact CD2-CB 3.85Å; L311-L388 HydrophobicContact CD2-CD1 4.48Å; L311-L388 HydrophobicContact CD2-CD2 4.01Å; L311-L388 HydrophobicContact CD2-CG 4.34Å; P314-L388 HydrophobicContact CB-CD1 4.1Å; P314-L388 HydrophobicContact CG-CD1 4.06Å; P314-L388 HydrophobicContact CG-CD2 4.43Å; I384-L388 HydrophobicContact CB-CD1 4.03Å; I384-L388 HydrophobicContact CD1-CD1 4.5Å; P385-L388 WeakPolarHBondContact O-CB 3.31Å; P385-L388 PolarHBondContact O-N 3.02Å; P385-L388 VanDerWaalsContact O-N 3.11Å; P386-L388 PolarHBondContact O-N 3.35Å; L388-Y392 WeakPolarHBondContact O-CB 3.45Å; L388-Y392 PolarHBondContact O-N 3.1Å |
| 389 | E | 96.9 | Very high | 95.2 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 27% | 0.271 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.2 | 176.3 | 169.5 | -174.3 | 0 | 0 | 111 | W369 P386 I391 Y392 R393 | W369-E389 HydrophobicContact CD2-CB 3.81Å; W369-E389 HydrophobicContact CD2-CG 3.64Å; W369-E389 HydrophobicContact CE3-CB 3.74Å; W369-E389 HydrophobicContact CE3-CG 4.11Å; W369-E389 VanDerWaalsContact CG-CD 3.46Å; W369-E389 HydrophobicContact CG-CG 3.92Å; W369-E389 HydrophobicContact CH2-CB 3.99Å; W369-E389 HydrophobicContact CZ2-CB 4.04Å; W369-E389 HydrophobicContact CZ2-CG 4.13Å; W369-E389 HydrophobicContact CZ3-CB 3.83Å; P386-E389 PolarHBondContact O-N 2.9Å; E389-I391 PolarHBondContact O-N 3.19Å; E389-Y392 PolarHBondContact O-N 2.61Å; E389-R393 HydrophobicContact CG-CG 4.25Å; E389-R393 WeakPolarHBondContact O-CB 3.21Å; E389-R393 WeakPolarHBondContact O-CG 3.31Å; E389-R393 PolarHBondContact O-N 2.79Å; E389-R393 IonicContact OE1-CZ 3.79Å; E389-R393 IonicContact OE1-NE 3.75Å; E389-R393 PolarHBondContact OE1-NE 3.08Å; E389-R393 IonicContact OE1-NH2 2.78Å; E389-R393 PolarHBondContact OE1-NH2 3.11Å |
| 390 | H | 96.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 7% | 0.069 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -50.5 | -177 | -168.8 | -170.5 | 0 | 0 | 0 | 111.4 | P386 Y387 R394 S417 F419 L434 | P386-H390 WeakPolarHBondContact O-CB 3.41Å; P386-H390 PolarHBondContact O-N 3.14Å; P386-H390 VanDerWaalsContact O-N 3.12Å; Y387-H390 PolarHBondContact O-N 3.21Å; H390-R394 WeakPolarHBondContact O-CG 3.45Å; H390-R394 PolarHBondContact O-N 2.95Å; H390-S417 PolarHBondContact ND1-O 2.87Å; H390-F419 HydrophobicContact CB-CE1 4.41Å; H390-F419 AromaticContact CD2-CE1 3.91Å; H390-F419 AromaticContact CE1-CE1 3.84Å; H390-F419 AromaticContact CG-CE1 3.78Å; H390-F419 AromaticContact ND1-CD1 3.93Å; H390-F419 AromaticContact ND1-CE1 3.73Å; H390-F419 AromaticContact NE2-CE1 3.95Å; H390-L434 HydrophobicContact CB-CD1 4.39Å |
| 391 | I | 97 | Very high | 94 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.4 | -66.6 | 162.3 | 0 | 0 | 0 | 110.3 | P66 I69 Y387 E389 R393 R394 I395 V411 L413 F419 | P66-I391 HydrophobicContact CG-CG2 3.74Å; I69-I391 HydrophobicContact CD1-CB 4.46Å; I69-I391 HydrophobicContact CD1-CG2 3.98Å; I69-I391 HydrophobicContact CG2-CB 3.83Å; I69-I391 HydrophobicContact CG2-CD1 3.66Å; I69-I391 HydrophobicContact CG2-CG1 4.35Å; I69-I391 HydrophobicContact CG2-CG2 3.89Å; Y387-I391 HydrophobicContact CD2-CD1 3.97Å; Y387-I391 WeakPolarHBondContact O-CB 3.49Å; Y387-I391 WeakPolarHBondContact O-CD1 3.43Å; Y387-I391 VanDerWaalsContact O-CG1 3.3Å; Y387-I391 WeakPolarHBondContact O-CG1 3.25Å; Y387-I391 PolarHBondContact O-N 2.81Å; E389-I391 PolarHBondContact O-N 3.19Å; I391-R393 VanDerWaalsContact C-N 3.3Å; I391-R393 PolarHBondContact O-N 3.15Å; I391-R394 PolarHBondContact O-N 2.89Å; I391-R394 VanDerWaalsContact O-N 3.12Å; I391-I395 HydrophobicContact CG2-CG1 3.98Å; I391-I395 WeakPolarHBondContact O-CG1 3.43Å; I391-I395 PolarHBondContact O-N 2.8Å; I391-V411 HydrophobicContact CD1-CG1 3.76Å; I391-V411 HydrophobicContact CG1-CG1 4.37Å; I391-V411 HydrophobicContact CG2-CG1 4.49Å; I391-V411 HydrophobicContact CG2-CG2 4.45Å; I391-L413 HydrophobicContact CD1-CD2 3.47Å; I391-L413 VanDerWaalsContact CD1-CD2 3.47Å; I391-F419 HydrophobicContact CB-CE1 4.43Å; I391-F419 HydrophobicContact CB-CZ 4.46Å; I391-F419 HydrophobicContact CD1-CB 4.02Å; I391-F419 HydrophobicContact CD1-CD1 4.15Å; I391-F419 HydrophobicContact CD1-CD2 4.34Å; I391-F419 HydrophobicContact CD1-CG 3.92Å; I391-F419 HydrophobicContact CG1-CB 4.15Å; I391-F419 HydrophobicContact CG1-CD1 3.39Å; I391-F419 HydrophobicContact CG1-CD2 3.77Å; I391-F419 HydrophobicContact CG1-CE1 3.57Å; I391-F419 HydrophobicContact CG1-CE2 3.93Å; I391-F419 HydrophobicContact CG1-CG 3.49Å; I391-F419 VanDerWaalsContact CG1-CG 3.49Å; I391-F419 HydrophobicContact CG1-CZ 3.83Å |
| 392 | Y | 97 | Very high | 93.5 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.3 | -44.8 | -179.2 | -178.8 | -81.3 | 0 | 0 | 0 | 111.9 | L65 T309 L311 Q368 W369 L388 E389 S396 | L65-Y392 HydrophobicContact CD1-CD2 4.48Å; L65-Y392 HydrophobicContact CD1-CE2 4.32Å; L65-Y392 HydrophobicContact CD2-CD2 3.74Å; L65-Y392 HydrophobicContact CD2-CE2 3.86Å; T309-Y392 WeakPolarHBondContact CG2-OH 3.42Å; T309-Y392 PolarHBondContact O-OH 3.15Å; L311-Y392 HydrophobicContact CB-CD2 4.32Å; L311-Y392 HydrophobicContact CD1-CD2 4.49Å; Q368-Y392 VanDerWaalsContact NE2-CZ 3.28Å; Q368-Y392 PolarHBondContact NE2-OH 3.06Å; W369-Y392 HydrophobicContact CH2-CG 4.2Å; W369-Y392 AromaticContact CZ2-CD1 3.61Å; W369-Y392 HydrophobicContact CZ2-CD1 3.61Å; W369-Y392 HydrophobicContact CZ2-CD2 4.27Å; W369-Y392 HydrophobicContact CZ2-CE1 4.36Å; W369-Y392 AromaticContact CZ2-CG 3.57Å; W369-Y392 HydrophobicContact CZ2-CG 3.57Å; L388-Y392 WeakPolarHBondContact O-CB 3.45Å; L388-Y392 PolarHBondContact O-N 3.1Å; E389-Y392 PolarHBondContact O-N 2.61Å; Y392-S396 VanDerWaalsContact CE1-OG 3.26Å; Y392-S396 WeakPolarHBondContact CE1-OG 3.48Å; Y392-S396 VanDerWaalsContact O-CB 3.25Å; Y392-S396 WeakPolarHBondContact O-CB 3.29Å; Y392-S396 PolarHBondContact O-N 3.11Å; Y392-S396 PolarHBondContact O-OG 3.06Å |
| 393 | R | 95.4 | Very high | 93 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 177.5 | -73.6 | -178.3 | 179.9 | -84.3 | 1.9 | 111.3 | W369 E389 I391 S396 E397 | W369-R393 VanDerWaalsContact CD1-NH2 3.35Å; E389-R393 HydrophobicContact CG-CG 4.25Å; E389-R393 WeakPolarHBondContact O-CB 3.21Å; E389-R393 WeakPolarHBondContact O-CG 3.31Å; E389-R393 PolarHBondContact O-N 2.79Å; E389-R393 IonicContact OE1-CZ 3.79Å; E389-R393 IonicContact OE1-NE 3.75Å; E389-R393 PolarHBondContact OE1-NE 3.08Å; E389-R393 IonicContact OE1-NH2 2.78Å; E389-R393 PolarHBondContact OE1-NH2 3.11Å; I391-R393 VanDerWaalsContact C-N 3.3Å; I391-R393 PolarHBondContact O-N 3.15Å; R393-S396 WeakPolarHBondContact O-CB 3.38Å; R393-S396 PolarHBondContact O-N 3.15Å; R393-E397 WeakPolarHBondContact O-CG 3.35Å; R393-E397 PolarHBondContact O-N 2.88Å |
| 394 | R | 94.5 | Very high | 92.5 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 179.6 | -65.6 | -68.3 | -179.2 | -166.6 | 3 | 112.7 | H390 I391 S396 E397 M398 F419 F432 | H390-R394 WeakPolarHBondContact O-CG 3.45Å; H390-R394 PolarHBondContact O-N 2.95Å; I391-R394 PolarHBondContact O-N 2.89Å; I391-R394 VanDerWaalsContact O-N 3.12Å; R394-S396 VanDerWaalsContact C-N 3.32Å; R394-S396 PolarHBondContact O-N 2.89Å; R394-E397 IonicContact NH1-OE2 3.27Å; R394-E397 PolarHBondContact NH1-OE2 3.39Å; R394-E397 PolarHBondContact O-N 2.75Å; R394-M398 WeakPolarHBondContact O-CB 3.4Å; R394-M398 PolarHBondContact O-N 2.99Å; R394-F419 HydrophobicContact CB-CZ 4Å; R394-F419 HydrophobicContact CG-CE1 4.33Å; R394-F419 HydrophobicContact CG-CZ 3.85Å; R394-F432 HydrophobicContact CG-CD1 4.44Å |
| 395 | I | 94.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 174.1 | -60.7 | -52.2 | 0 | 0 | 0 | 110.8 | P66 F85 I391 E397 M398 R399 Y406 L421 | P66-I395 HydrophobicContact CG-CG1 4.12Å; F85-I395 HydrophobicContact CE1-CG2 4.37Å; F85-I395 HydrophobicContact CZ-CD1 4.08Å; F85-I395 HydrophobicContact CZ-CG2 4.26Å; I391-I395 HydrophobicContact CG2-CG1 3.98Å; I391-I395 WeakPolarHBondContact O-CG1 3.43Å; I391-I395 PolarHBondContact O-N 2.8Å; I395-E397 PolarHBondContact O-N 3.14Å; I395-M398 HydrophobicContact CD1-CE 3.42Å; I395-M398 VanDerWaalsContact CD1-CE 3.42Å; I395-M398 PolarHBondContact O-N 3.49Å; I395-R399 WeakPolarHBondContact O-CB 3.43Å; I395-R399 PolarHBondContact O-N 3.12Å; I395-Y406 HydrophobicContact CG2-CD2 4.24Å; I395-Y406 HydrophobicContact CG2-CE2 4.29Å; I395-L421 HydrophobicContact CD1-CD1 4.2Å |
| 396 | S | 92.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -34.9 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | Y392 R393 R394 P400 | Y392-S396 VanDerWaalsContact CE1-OG 3.26Å; Y392-S396 WeakPolarHBondContact CE1-OG 3.48Å; Y392-S396 VanDerWaalsContact O-CB 3.25Å; Y392-S396 WeakPolarHBondContact O-CB 3.29Å; Y392-S396 PolarHBondContact O-N 3.11Å; Y392-S396 PolarHBondContact O-OG 3.06Å; R393-S396 WeakPolarHBondContact O-CB 3.38Å; R393-S396 PolarHBondContact O-N 3.15Å; R394-S396 VanDerWaalsContact C-N 3.32Å; R394-S396 PolarHBondContact O-N 2.89Å; S396-P400 WeakPolarHBondContact O-CD 3.35Å |
| 397 | E | 90.5 | Very high | 92 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 48% | 0.477 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.4 | -41.7 | 174.3 | -73.9 | 166.6 | -174.1 | 0 | 0 | 111.9 | R393 R394 I395 Q401 | R393-E397 WeakPolarHBondContact O-CG 3.35Å; R393-E397 PolarHBondContact O-N 2.88Å; R394-E397 IonicContact NH1-OE2 3.27Å; R394-E397 PolarHBondContact NH1-OE2 3.39Å; R394-E397 PolarHBondContact O-N 2.75Å; I395-E397 PolarHBondContact O-N 3.14Å; E397-Q401 PolarHBondContact O-NE2 3.01Å |
| 398 | M | 90 | Very high | 91.9 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.3 | -40.1 | -177.7 | 176.7 | 175 | 51.2 | 0 | 0 | 112.7 | R394 I395 Q401 N402 F409 L421 | R394-M398 WeakPolarHBondContact O-CB 3.4Å; R394-M398 PolarHBondContact O-N 2.99Å; I395-M398 HydrophobicContact CD1-CE 3.42Å; I395-M398 VanDerWaalsContact CD1-CE 3.42Å; I395-M398 PolarHBondContact O-N 3.49Å; M398-Q401 CarbonylContact O-C 3.58Å; M398-Q401 PolarHBondContact O-N 2.88Å; M398-N402 HydrophobicContact CG-CB 4.29Å; M398-N402 PolarHBondContact O-N 3.37Å; M398-F409 HydrophobicContact CE-CD2 4.26Å; M398-F409 HydrophobicContact CE-CG 4.3Å; M398-F409 HydrophobicContact SD-CD1 4.35Å; M398-F409 HydrophobicContact SD-CD2 3.94Å; M398-F409 HydrophobicContact SD-CE1 4.12Å; M398-F409 HydrophobicContact SD-CE2 3.72Å; M398-F409 HydrophobicContact SD-CG 4.23Å; M398-F409 HydrophobicContact SD-CZ 3.79Å; M398-L421 HydrophobicContact CE-CD2 4.09Å; M398-L421 HydrophobicContact SD-CD2 4.17Å |
| 399 | R | 89.4 | Confident | 91.8 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -55.6 | -49.6 | -170.4 | 170.7 | -179.7 | 163.6 | -169.9 | -4.1 | 113.3 | I395 Q401 N402 L403 Y406 | I395-R399 WeakPolarHBondContact O-CB 3.43Å; I395-R399 PolarHBondContact O-N 3.12Å; R399-Q401 PolarHBondContact O-N 3.2Å; R399-Q401 VanDerWaalsContact O-N 3.15Å; R399-N402 CarbonylContact O-C 3.53Å; R399-N402 PolarHBondContact O-N 2.95Å; R399-N402 VanDerWaalsContact O-N 3.11Å; R399-L403 HydrophobicContact CG-CD2 3.81Å; R399-L403 VanDerWaalsContact O-CD2 3.3Å; R399-L403 WeakPolarHBondContact O-CD2 3.37Å; R399-L403 WeakPolarHBondContact O-CG 3.48Å; R399-L403 PolarHBondContact O-N 2.95Å; R399-L403 VanDerWaalsContact O-N 3.14Å; R399-Y406 HydrophobicContact CB-CD1 4.49Å; R399-Y406 HydrophobicContact CB-CD2 4.27Å; R399-Y406 HydrophobicContact CB-CE2 4.39Å; R399-Y406 HydrophobicContact CB-CG 4.29Å; R399-Y406 HydrophobicContact CG-CD1 4.14Å; R399-Y406 HydrophobicContact CG-CD2 4.5Å; R399-Y406 HydrophobicContact CG-CE1 3.9Å; R399-Y406 HydrophobicContact CG-CE2 4.27Å; R399-Y406 HydrophobicContact CG-CG 4.42Å |
| 400 | P | 84.4 | Confident | 91.8 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -60.6 | -24.4 | 178.8 | -23.9 | 34.3 | 0 | 0 | 0 | 113.9 | V227 S396 | V227-P400 WeakPolarHBondContact CG1-O 3.11Å; S396-P400 WeakPolarHBondContact O-CD 3.35Å |
| 401 | Q | 86.5 | Confident | 91.8 | Very high | 126 Ų | 126 | 45.1 Ų | 45.1 | 59% | 0.589 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -93.8 | -10.1 | -178.7 | -55.8 | 176.4 | 26.4 | 0 | 0 | 112.7 | V227 E397 M398 R399 | V227-Q401 VanDerWaalsContact CG1-O 3.3Å; V227-Q401 WeakPolarHBondContact CG1-O 3.46Å; E397-Q401 PolarHBondContact O-NE2 3.01Å; M398-Q401 CarbonylContact O-C 3.58Å; M398-Q401 PolarHBondContact O-N 2.88Å; R399-Q401 PolarHBondContact O-N 3.2Å; R399-Q401 VanDerWaalsContact O-N 3.15Å |
| 402 | N | 88 | Confident | 91.7 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -148.1 | 47 | -174.2 | -164.4 | -0.2 | 0 | 0 | 0 | 112.5 | M398 R399 A404 N405 Y406 F409 | M398-N402 HydrophobicContact CG-CB 4.29Å; M398-N402 PolarHBondContact O-N 3.37Å; R399-N402 CarbonylContact O-C 3.53Å; R399-N402 PolarHBondContact O-N 2.95Å; R399-N402 VanDerWaalsContact O-N 3.11Å; N402-A404 PolarHBondContact O-N 2.73Å; N402-A404 VanDerWaalsContact O-N 3.13Å; N402-N405 PolarHBondContact O-N 2.6Å; N402-N405 VanDerWaalsContact OD1-CB 3.27Å; N402-N405 WeakPolarHBondContact OD1-CB 3.48Å; N402-N405 PolarHBondContact OD1-N 2.86Å; N402-N405 PolarHBondContact OD1-ND2 2.8Å; N402-Y406 VanDerWaalsContact O-CB 3.29Å; N402-Y406 WeakPolarHBondContact O-CB 3.3Å; N402-Y406 WeakPolarHBondContact O-CD1 3.21Å; N402-Y406 PolarHBondContact O-N 2.88Å; N402-F409 WeakPolarHBondContact ND2-CE2 3.47Å | ||
| 403 | L | 87.5 | Confident | 91.7 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.6 | -174.2 | -72.6 | 178.2 | 0 | 0 | 0 | 113.9 | I203 L225 V227 L229 R399 | I203-L403 HydrophobicContact CG2-CD1 4.12Å; I203-L403 HydrophobicContact CG2-CD2 4.25Å; L225-L403 HydrophobicContact CD1-CD1 4.19Å; L225-L403 HydrophobicContact CD2-CD1 4.27Å; V227-L403 HydrophobicContact CG2-CB 4.13Å; V227-L403 HydrophobicContact CG2-CD1 3.55Å; V227-L403 HydrophobicContact CG2-CG 3.84Å; L229-L403 HydrophobicContact CD2-CD1 4.34Å; R399-L403 HydrophobicContact CG-CD2 3.81Å; R399-L403 VanDerWaalsContact O-CD2 3.3Å; R399-L403 WeakPolarHBondContact O-CD2 3.37Å; R399-L403 WeakPolarHBondContact O-CG 3.48Å; R399-L403 PolarHBondContact O-N 2.95Å; R399-L403 VanDerWaalsContact O-N 3.14Å |
| 404 | A | 84.3 | Confident | 91.7 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -34.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | N402 | N402-A404 PolarHBondContact O-N 2.73Å; N402-A404 VanDerWaalsContact O-N 3.13Å |
| 405 | N | 89.3 | Confident | 91.7 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -3.7 | -169 | -45.6 | -66.9 | 0 | 0 | 0 | 114.5 | N402 K407 T408 | N402-N405 PolarHBondContact O-N 2.6Å; N402-N405 VanDerWaalsContact OD1-CB 3.27Å; N402-N405 WeakPolarHBondContact OD1-CB 3.48Å; N402-N405 PolarHBondContact OD1-N 2.86Å; N402-N405 PolarHBondContact OD1-ND2 2.8Å; N405-K407 PolarHBondContact O-N 3.24Å; N405-T408 HydrophobicContact CB-CG2 4.47Å; N405-T408 PolarHBondContact O-N 3.11Å; N405-T408 PolarHBondContact O-OG1 2.91Å |
| 406 | Y | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -59.8 | -25.4 | -178.9 | 84.4 | -82 | 0 | 0 | 0 | 112.9 | N64 F85 I395 R399 N402 T408 F409 | N64-Y406 WeakPolarHBondContact CA-OH 3.35Å; N64-Y406 PolarHBondContact OD1-OH 2.8Å; F85-Y406 HydrophobicContact CD1-CE2 4.32Å; F85-Y406 AromaticContact CE1-CD2 3.96Å; F85-Y406 HydrophobicContact CE1-CD2 3.96Å; F85-Y406 AromaticContact CE1-CE2 3.67Å; F85-Y406 HydrophobicContact CE1-CE2 3.67Å; F85-Y406 VanDerWaalsContact CE2-O 3.25Å; F85-Y406 WeakPolarHBondContact CE2-O 3.24Å; F85-Y406 AromaticContact CZ-CD2 3.94Å; F85-Y406 HydrophobicContact CZ-CD2 3.94Å; F85-Y406 HydrophobicContact CZ-CE2 4.14Å; I395-Y406 HydrophobicContact CG2-CD2 4.24Å; I395-Y406 HydrophobicContact CG2-CE2 4.29Å; R399-Y406 HydrophobicContact CB-CD1 4.49Å; R399-Y406 HydrophobicContact CB-CD2 4.27Å; R399-Y406 HydrophobicContact CB-CE2 4.39Å; R399-Y406 HydrophobicContact CB-CG 4.29Å; R399-Y406 HydrophobicContact CG-CD1 4.14Å; R399-Y406 HydrophobicContact CG-CD2 4.5Å; R399-Y406 HydrophobicContact CG-CE1 3.9Å; R399-Y406 HydrophobicContact CG-CE2 4.27Å; R399-Y406 HydrophobicContact CG-CG 4.42Å; N402-Y406 VanDerWaalsContact O-CB 3.29Å; N402-Y406 WeakPolarHBondContact O-CB 3.3Å; N402-Y406 WeakPolarHBondContact O-CD1 3.21Å; N402-Y406 PolarHBondContact O-N 2.88Å; Y406-T408 VanDerWaalsContact C-N 3.25Å; Y406-T408 PolarHBondContact O-N 2.89Å; Y406-F409 WeakPolarHBondContact O-CD2 3.2Å; Y406-F409 PolarHBondContact O-N 3.4Å |
| 407 | K | 93.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -74.7 | -8.1 | 176.2 | -63.9 | -179.2 | -179.4 | 177.5 | 0 | 113.7 | V62 T63 N64 F85 D204 N405 | V62-K407 HydrophobicContact CB-CD 4.24Å; V62-K407 HydrophobicContact CG1-CD 4.05Å; V62-K407 PolarHBondContact O-NZ 3.5Å; T63-K407 WeakPolarHBondContact O-CE 3.36Å; N64-K407 WeakPolarHBondContact OD1-CE 3.41Å; N64-K407 PolarHBondContact OD1-NZ 3.4Å; F85-K407 HydrophobicContact CB-CB 4Å; F85-K407 HydrophobicContact CB-CG 4.34Å; F85-K407 HydrophobicContact CD1-CB 4.43Å; F85-K407 HydrophobicContact CD1-CG 4.09Å; F85-K407 HydrophobicContact CD2-CB 4.36Å; F85-K407 VanDerWaalsContact CD2-O 3.31Å; F85-K407 WeakPolarHBondContact CD2-O 3.04Å; F85-K407 HydrophobicContact CG-CB 4.02Å; F85-K407 HydrophobicContact CG-CG 4.18Å; D204-K407 VanDerWaalsContact CG-NZ 3.33Å; D204-K407 IonicContact OD1-NZ 3.45Å; D204-K407 PolarHBondContact OD1-NZ 3.27Å; D204-K407 IonicContact OD2-NZ 2.77Å; D204-K407 PolarHBondContact OD2-NZ 3.29Å; D204-K407 VanDerWaalsContact OD2-NZ 3.12Å; N405-K407 PolarHBondContact O-N 3.24Å |
| 408 | T | 93.6 | Very high | 91.8 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -86.7 | -10.8 | 175.6 | 72.4 | 0 | 0 | 0 | 0 | 113 | N405 Y406 P424 | N405-T408 HydrophobicContact CB-CG2 4.47Å; N405-T408 PolarHBondContact O-N 3.11Å; N405-T408 PolarHBondContact O-OG1 2.91Å; Y406-T408 VanDerWaalsContact C-N 3.25Å; Y406-T408 PolarHBondContact O-N 2.89Å; T408-P424 WeakPolarHBondContact O-CD 3.2Å |
| 409 | F | 95.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | trans | -70.9 | 146.7 | 176.9 | -71.4 | -99.3 | 0 | 0 | 0 | 111.5 | F85 M398 N402 Y406 L421 G422 Q423 | F85-F409 WeakPolarHBondContact CD2-O 3.42Å; F85-F409 HydrophobicContact CE2-CB 4.42Å; M398-F409 HydrophobicContact CE-CD2 4.26Å; M398-F409 HydrophobicContact CE-CG 4.3Å; M398-F409 HydrophobicContact SD-CD1 4.35Å; M398-F409 HydrophobicContact SD-CD2 3.94Å; M398-F409 HydrophobicContact SD-CE1 4.12Å; M398-F409 HydrophobicContact SD-CE2 3.72Å; M398-F409 HydrophobicContact SD-CG 4.23Å; M398-F409 HydrophobicContact SD-CZ 3.79Å; N402-F409 WeakPolarHBondContact ND2-CE2 3.47Å; Y406-F409 WeakPolarHBondContact O-CD2 3.2Å; Y406-F409 PolarHBondContact O-N 3.4Å; F409-L421 HydrophobicContact CB-CD1 3.9Å; F409-L421 HydrophobicContact CB-CG 4.33Å; F409-L421 HydrophobicContact CD1-CD1 4.2Å; F409-L421 HydrophobicContact CD1-CD2 3.79Å; F409-L421 HydrophobicContact CD1-CG 3.69Å; F409-L421 HydrophobicContact CE1-CD2 4.15Å; F409-L421 HydrophobicContact CE1-CG 4.45Å; F409-L421 HydrophobicContact CG-CD1 4.37Å; F409-L421 HydrophobicContact CG-CD2 4.49Å; F409-L421 HydrophobicContact CG-CG 4.35Å; F409-G422 CarbonylContact C-O 3.55Å; F409-G422 WeakPolarHBondContact CA-O 3.33Å; F409-G422 WeakPolarHBondContact CD1-O 3.1Å; F409-Q423 HydrophobicContact CD1-CB 4.18Å; F409-Q423 HydrophobicContact CE1-CB 3.99Å; F409-Q423 HydrophobicContact CE1-CG 4.4Å; F409-Q423 HydrophobicContact CZ-CG 4.48Å | ||
| 410 | T | 96.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146.5 | 170.5 | 55.3 | 0 | 0 | 0 | 0 | 110 | S84 L421 G422 P424 | S84-T410 WeakPolarHBondContact OG-CA 3.39Å; T410-L421 CarbonylContact O-C 3.58Å; T410-L421 WeakPolarHBondContact O-CA 3.4Å; T410-G422 PolarHBondContact N-O 3.48Å; T410-G422 PolarHBondContact O-N 3.49Å; T410-G422 PolarHBondContact OG1-O 2.83Å; T410-P424 HydrophobicContact CG2-CG 3.69Å |
| 411 | V | 96.9 | Very high | 93 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.5 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 107.7 | P66 E68 S84 I391 L413 F419 E420 L421 | P66-V411 HydrophobicContact CB-CB 4.28Å; P66-V411 HydrophobicContact CB-CG2 3.78Å; P66-V411 HydrophobicContact CG-CG2 3.9Å; E68-V411 HydrophobicContact CB-CG1 4.11Å; E68-V411 HydrophobicContact CG-CB 4.19Å; E68-V411 HydrophobicContact CG-CG1 4.09Å; E68-V411 VanDerWaalsContact OE1-O 3.08Å; S84-V411 PolarHBondContact OG-N 2.85Å; I391-V411 HydrophobicContact CD1-CG1 3.76Å; I391-V411 HydrophobicContact CG1-CG1 4.37Å; I391-V411 HydrophobicContact CG2-CG1 4.49Å; I391-V411 HydrophobicContact CG2-CG2 4.45Å; V411-L413 HydrophobicContact CG1-CD2 4.4Å; V411-F419 HydrophobicContact CG1-CD2 4.17Å; V411-E420 WeakPolarHBondContact CA-O 3.36Å; V411-L421 HydrophobicContact CG2-CD1 3.86Å |
| 412 | R | 95.4 | Very high | 93.4 | Very high | 155 Ų | 155 | 45.5 Ų | 45.5 | 59% | 0.585 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.1 | 172.4 | 178.1 | -179.1 | 171.5 | -142.5 | 0.8 | 109.1 | F419 E420 | R412-F419 CarbonylContact O-C 3.53Å; R412-F419 VanDerWaalsContact O-CA 3.29Å; R412-F419 WeakPolarHBondContact O-CA 3.29Å; R412-E420 HydrophobicContact CB-CB 4.3Å; R412-E420 PolarHBondContact N-O 2.86Å; R412-E420 IonicContact NH1-OE2 3.37Å; R412-E420 PolarHBondContact NH1-OE2 3.44Å; R412-E420 PolarHBondContact O-N 2.81Å |
| 413 | L | 95.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.2 | 175.1 | -55.1 | -177.6 | 0 | 0 | 0 | 109.2 | E68 Y387 I391 V411 F419 | E68-L413 HydrophobicContact CB-CD1 4.44Å; E68-L413 HydrophobicContact CB-CD2 4.28Å; E68-L413 HydrophobicContact CB-CG 4.27Å; Y387-L413 HydrophobicContact CD2-CD1 4.26Å; Y387-L413 HydrophobicContact CD2-CD2 3.7Å; Y387-L413 HydrophobicContact CE1-CD1 4.3Å; Y387-L413 HydrophobicContact CE2-CD1 3.82Å; Y387-L413 HydrophobicContact CE2-CD2 4.08Å; Y387-L413 HydrophobicContact CG-CD2 4.07Å; I391-L413 HydrophobicContact CD1-CD2 3.47Å; I391-L413 VanDerWaalsContact CD1-CD2 3.47Å; V411-L413 HydrophobicContact CG1-CD2 4.4Å; L413-F419 HydrophobicContact CD2-CB 4.38Å |
| 414 | L | 95.8 | Very high | 93.6 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | trans | -102.6 | -33.7 | 176.8 | -58.2 | 178.6 | 0 | 0 | 0 | 111.1 | D418 E420 V431 | L414-D418 HydrophobicContact CB-CB 4.36Å; L414-D418 WeakPolarHBondContact CB-O 3.5Å; L414-D418 PolarHBondContact N-O 2.89Å; L414-E420 HydrophobicContact CD1-CB 4.43Å; L414-E420 HydrophobicContact CD2-CB 4.38Å; L414-E420 HydrophobicContact CG-CB 4.5Å; L414-V431 HydrophobicContact CD1-CG1 3.6Å; L414-V431 HydrophobicContact CD1-CG2 4.23Å | ||
| 415 | N | 93.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -164.6 | -166.1 | 175 | 58.2 | 51.5 | 0 | 0 | 0 | 109.1 | S417 D418 | N415-S417 PolarHBondContact O-N 2.8Å; N415-S417 VanDerWaalsContact O-N 3.15Å; N415-S417 PolarHBondContact OD1-N 3.2Å; N415-S417 PolarHBondContact OD1-OG 2.87Å; N415-S417 VanDerWaalsContact OD1-OG 3.11Å; N415-D418 PolarHBondContact N-O 2.93Å; N415-D418 PolarHBondContact ND2-OD2 3.13Å; N415-D418 WeakPolarHBondContact OD1-CB 3.27Å; N415-D418 PolarHBondContact OD1-N 2.83Å |
| 416 | D | 92.2 | Very high | 93.6 | Very high | 115 Ų | 115 | 54.3 Ų | 54.3 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -69.1 | -7 | -177.4 | -69.2 | -18 | 0 | 0 | 0 | 115 | P386 Y387 | P386-D416 VanDerWaalsContact CD-O 3.24Å; P386-D416 WeakPolarHBondContact CD-O 3.41Å; Y387-D416 WeakPolarHBondContact CD1-O 3.36Å; Y387-D416 PolarHBondContact N-O 3.28Å |
| 417 | S | 92.7 | Very high | 93.4 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -129.5 | -29.7 | -179.3 | 64.8 | 0 | 0 | 0 | 0 | 114.7 | H390 N415 | H390-S417 PolarHBondContact ND1-O 2.87Å; N415-S417 PolarHBondContact O-N 2.8Å; N415-S417 VanDerWaalsContact O-N 3.15Å; N415-S417 PolarHBondContact OD1-N 3.2Å; N415-S417 PolarHBondContact OD1-OG 2.87Å; N415-S417 VanDerWaalsContact OD1-OG 3.11Å |
| 418 | D | 95.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | trans | -111 | 145.9 | -167.9 | -52 | -23.7 | 0 | 0 | 0 | 111.2 | L414 N415 F432 K433 L434 | L414-D418 HydrophobicContact CB-CB 4.36Å; L414-D418 WeakPolarHBondContact CB-O 3.5Å; L414-D418 PolarHBondContact N-O 2.89Å; N415-D418 PolarHBondContact N-O 2.93Å; N415-D418 PolarHBondContact ND2-OD2 3.13Å; N415-D418 WeakPolarHBondContact OD1-CB 3.27Å; N415-D418 PolarHBondContact OD1-N 2.83Å; D418-F432 WeakPolarHBondContact CA-O 3.39Å; D418-K433 WeakPolarHBondContact OD1-CA 3.3Å; D418-L434 PolarHBondContact OD1-N 3.3Å | ||
| 419 | F | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.3 | -179.1 | 72.2 | -82.4 | 0 | 0 | 0 | 111 | H390 I391 R394 V411 R412 L413 L421 F432 | H390-F419 HydrophobicContact CB-CE1 4.41Å; H390-F419 AromaticContact CD2-CE1 3.91Å; H390-F419 AromaticContact CE1-CE1 3.84Å; H390-F419 AromaticContact CG-CE1 3.78Å; H390-F419 AromaticContact ND1-CD1 3.93Å; H390-F419 AromaticContact ND1-CE1 3.73Å; H390-F419 AromaticContact NE2-CE1 3.95Å; I391-F419 HydrophobicContact CB-CE1 4.43Å; I391-F419 HydrophobicContact CB-CZ 4.46Å; I391-F419 HydrophobicContact CD1-CB 4.02Å; I391-F419 HydrophobicContact CD1-CD1 4.15Å; I391-F419 HydrophobicContact CD1-CD2 4.34Å; I391-F419 HydrophobicContact CD1-CG 3.92Å; I391-F419 HydrophobicContact CG1-CB 4.15Å; I391-F419 HydrophobicContact CG1-CD1 3.39Å; I391-F419 HydrophobicContact CG1-CD2 3.77Å; I391-F419 HydrophobicContact CG1-CE1 3.57Å; I391-F419 HydrophobicContact CG1-CE2 3.93Å; I391-F419 HydrophobicContact CG1-CG 3.49Å; I391-F419 VanDerWaalsContact CG1-CG 3.49Å; I391-F419 HydrophobicContact CG1-CZ 3.83Å; R394-F419 HydrophobicContact CB-CZ 4Å; R394-F419 HydrophobicContact CG-CE1 4.33Å; R394-F419 HydrophobicContact CG-CZ 3.85Å; V411-F419 HydrophobicContact CG1-CD2 4.17Å; R412-F419 CarbonylContact O-C 3.53Å; R412-F419 VanDerWaalsContact O-CA 3.29Å; R412-F419 WeakPolarHBondContact O-CA 3.29Å; L413-F419 HydrophobicContact CD2-CB 4.38Å; F419-L421 HydrophobicContact CE2-CB 4.13Å; F419-F432 HydrophobicContact CD1-CB 3.99Å; F419-F432 HydrophobicContact CD2-CD2 4.43Å; F419-F432 HydrophobicContact CE1-CB 3.54Å; F419-F432 HydrophobicContact CE1-CD2 4.4Å; F419-F432 HydrophobicContact CE1-CG 4.11Å; F419-F432 HydrophobicContact CE2-CB 4.33Å; F419-F432 AromaticContact CE2-CD2 3.74Å; F419-F432 HydrophobicContact CE2-CD2 3.74Å; F419-F432 HydrophobicContact CE2-CE2 4.45Å; F419-F432 HydrophobicContact CE2-CG 4.26Å; F419-F432 HydrophobicContact CZ-CB 3.74Å; F419-F432 AromaticContact CZ-CD2 3.72Å; F419-F432 HydrophobicContact CZ-CD2 3.72Å; F419-F432 AromaticContact CZ-CG 3.79Å; F419-F432 HydrophobicContact CZ-CG 3.79Å; F419-F432 PolarHBondContact N-O 3.18Å; F419-F432 PolarHBondContact O-N 2.85Å |
| 420 | E | 96.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.6 | 171.3 | 175.2 | 175.5 | -129.9 | 0 | 0 | 108.8 | V411 R412 L414 S429 V431 | V411-E420 WeakPolarHBondContact CA-O 3.36Å; R412-E420 HydrophobicContact CB-CB 4.3Å; R412-E420 PolarHBondContact N-O 2.86Å; R412-E420 IonicContact NH1-OE2 3.37Å; R412-E420 PolarHBondContact NH1-OE2 3.44Å; R412-E420 PolarHBondContact O-N 2.81Å; L414-E420 HydrophobicContact CD1-CB 4.43Å; L414-E420 HydrophobicContact CD2-CB 4.38Å; L414-E420 HydrophobicContact CG-CB 4.5Å; E420-S429 WeakPolarHBondContact OE1-CB 3.23Å; E420-S429 PolarHBondContact OE1-OG 3.06Å; E420-V431 HydrophobicContact CB-CG2 4.32Å; E420-V431 HydrophobicContact CG-CG2 4.43Å |
| 421 | L | 95.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.2 | 170.2 | -168.8 | 72.2 | 0 | 0 | 0 | 108.3 | I395 M398 F409 T410 V411 F419 S429 I430 F432 | I395-L421 HydrophobicContact CD1-CD1 4.2Å; M398-L421 HydrophobicContact CE-CD2 4.09Å; M398-L421 HydrophobicContact SD-CD2 4.17Å; F409-L421 HydrophobicContact CB-CD1 3.9Å; F409-L421 HydrophobicContact CB-CG 4.33Å; F409-L421 HydrophobicContact CD1-CD1 4.2Å; F409-L421 HydrophobicContact CD1-CD2 3.79Å; F409-L421 HydrophobicContact CD1-CG 3.69Å; F409-L421 HydrophobicContact CE1-CD2 4.15Å; F409-L421 HydrophobicContact CE1-CG 4.45Å; F409-L421 HydrophobicContact CG-CD1 4.37Å; F409-L421 HydrophobicContact CG-CD2 4.49Å; F409-L421 HydrophobicContact CG-CG 4.35Å; T410-L421 CarbonylContact O-C 3.58Å; T410-L421 WeakPolarHBondContact O-CA 3.4Å; V411-L421 HydrophobicContact CG2-CD1 3.86Å; F419-L421 HydrophobicContact CE2-CB 4.13Å; L421-S429 CarbonylContact O-C 2.99Å; L421-S429 VanDerWaalsContact O-CA 3.27Å; L421-S429 WeakPolarHBondContact O-CA 3.34Å; L421-I430 PolarHBondContact N-O 3.13Å; L421-I430 PolarHBondContact O-N 3.29Å; L421-F432 HydrophobicContact CB-CD2 4.14Å; L421-F432 HydrophobicContact CB-CE2 3.76Å; L421-F432 HydrophobicContact CD2-CE2 4.16Å |
| 422 | G | 94.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 68.7 Ų | 68.7 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 149.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F409 T410 E428 | F409-G422 CarbonylContact C-O 3.55Å; F409-G422 WeakPolarHBondContact CA-O 3.33Å; F409-G422 WeakPolarHBondContact CD1-O 3.1Å; T410-G422 PolarHBondContact N-O 3.48Å; T410-G422 PolarHBondContact O-N 3.49Å; T410-G422 PolarHBondContact OG1-O 2.83Å; G422-E428 CarbonylContact C-O 3.31Å; G422-E428 WeakPolarHBondContact CA-O 3.45Å |
| 423 | Q | 92 | Very high | 93.2 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 92.1 | 167.4 | -169.7 | 168.3 | 16.3 | 0 | 0 | 108.8 | F409 E425 R426 N427 E428 | F409-Q423 HydrophobicContact CD1-CB 4.18Å; F409-Q423 HydrophobicContact CE1-CB 3.99Å; F409-Q423 HydrophobicContact CE1-CG 4.4Å; F409-Q423 HydrophobicContact CZ-CG 4.48Å; Q423-E425 VanDerWaalsContact C-N 3.26Å; Q423-E425 PolarHBondContact O-N 3.37Å; Q423-E425 VanDerWaalsContact O-N 3.16Å; Q423-R426 HydrophobicContact CG-CB 4.31Å; Q423-R426 HydrophobicContact CG-CG 4.12Å; Q423-R426 PolarHBondContact O-N 2.71Å; Q423-R426 VanDerWaalsContact OE1-CD 3.26Å; Q423-N427 PolarHBondContact O-N 2.87Å; Q423-N427 VanDerWaalsContact O-N 3.1Å; Q423-E428 PolarHBondContact N-O 3.23Å; Q423-E428 PolarHBondContact O-N 3.02Å |
| 424 | P | 87.1 | Confident | 92.7 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56 | -36.8 | -171.6 | -28 | 35.3 | 0 | 0 | 0 | 114.3 | T408 T410 R426 N427 | T408-P424 WeakPolarHBondContact O-CD 3.2Å; T410-P424 HydrophobicContact CG2-CG 3.69Å; P424-R426 PolarHBondContact O-N 3.43Å; P424-N427 PolarHBondContact O-N 3.01Å |
| 425 | E | 85.7 | Confident | 91.9 | Very high | 148 Ų | 148 | 68.5 Ų | 68.5 | 69% | 0.692 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -65.9 | -24.7 | -179.8 | -65.3 | 178.2 | 176.9 | 0 | 0 | 113.6 | Q423 | Q423-E425 VanDerWaalsContact C-N 3.26Å; Q423-E425 PolarHBondContact O-N 3.37Å; Q423-E425 VanDerWaalsContact O-N 3.16Å |
| 426 | R | 87.7 | Confident | 90.6 | Very high | 136 Ų | 136 | 70.5 Ų | 70.5 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -103.7 | -6.7 | 178.4 | -60.7 | -169 | -174.9 | -179.6 | -4.7 | 113.2 | Q423 P424 E428 | Q423-R426 HydrophobicContact CG-CB 4.31Å; Q423-R426 HydrophobicContact CG-CG 4.12Å; Q423-R426 PolarHBondContact O-N 2.71Å; Q423-R426 VanDerWaalsContact OE1-CD 3.26Å; P424-R426 PolarHBondContact O-N 3.43Å; R426-E428 HydrophobicContact CB-CB 4.19Å; R426-E428 HydrophobicContact CB-CG 3.9Å; R426-E428 PolarHBondContact O-N 2.79Å |
| 427 | N | 88.2 | Confident | 88.4 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 84% | 0.84 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.5 | -170.5 | -162.7 | 43.4 | 0 | 0 | 0 | 112.5 | Q423 P424 | Q423-N427 PolarHBondContact O-N 2.87Å; Q423-N427 VanDerWaalsContact O-N 3.1Å; P424-N427 PolarHBondContact O-N 3.01Å |
| 428 | E | 92.9 | Very high | 86.3 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 143.5 | 179.2 | -72.5 | 171.4 | -179.5 | 0 | 0 | 109.6 | G422 Q423 R426 | G422-E428 CarbonylContact C-O 3.31Å; G422-E428 WeakPolarHBondContact CA-O 3.45Å; Q423-E428 PolarHBondContact N-O 3.23Å; Q423-E428 PolarHBondContact O-N 3.02Å; R426-E428 HydrophobicContact CB-CB 4.19Å; R426-E428 HydrophobicContact CB-CG 3.9Å; R426-E428 PolarHBondContact O-N 2.79Å |
| 429 | S | 94.1 | Very high | 83.6 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.1 | 167.6 | 74 | 0 | 0 | 0 | 0 | 111.5 | E420 L421 | E420-S429 WeakPolarHBondContact OE1-CB 3.23Å; E420-S429 PolarHBondContact OE1-OG 3.06Å; L421-S429 CarbonylContact O-C 2.99Å; L421-S429 VanDerWaalsContact O-CA 3.27Å; L421-S429 WeakPolarHBondContact O-CA 3.34Å |
| 430 | I | 94.5 | Very high | 80.8 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.9 | 176.5 | -56.8 | 176.2 | 0 | 0 | 0 | 108.3 | L421 F432 | L421-I430 PolarHBondContact N-O 3.13Å; L421-I430 PolarHBondContact O-N 3.29Å; I430-F432 HydrophobicContact CB-CE2 3.96Å; I430-F432 HydrophobicContact CB-CZ 4.38Å; I430-F432 HydrophobicContact CG2-CD2 4.3Å; I430-F432 HydrophobicContact CG2-CE1 4.5Å; I430-F432 HydrophobicContact CG2-CE2 3.78Å; I430-F432 HydrophobicContact CG2-CZ 3.9Å |
| 431 | V | 96.1 | Very high | 78.2 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.2 | 174.3 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | L414 E420 K433 | L414-V431 HydrophobicContact CD1-CG1 3.6Å; L414-V431 HydrophobicContact CD1-CG2 4.23Å; E420-V431 HydrophobicContact CB-CG2 4.32Å; E420-V431 HydrophobicContact CG-CG2 4.43Å; V431-K433 HydrophobicContact CG1-CG 4.15Å |
| 432 | F | 94.9 | Very high | 75.5 | Confident | 18 Ų | 18 | 85.1 Ų | 85.1 | 8% | 0.079 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.8 | 174.8 | -69.2 | -88.5 | 0 | 0 | 0 | 109.4 | R394 D418 F419 L421 I430 | R394-F432 HydrophobicContact CG-CD1 4.44Å; D418-F432 WeakPolarHBondContact CA-O 3.39Å; F419-F432 HydrophobicContact CD1-CB 3.99Å; F419-F432 HydrophobicContact CD2-CD2 4.43Å; F419-F432 HydrophobicContact CE1-CB 3.54Å; F419-F432 HydrophobicContact CE1-CD2 4.4Å; F419-F432 HydrophobicContact CE1-CG 4.11Å; F419-F432 HydrophobicContact CE2-CB 4.33Å; F419-F432 AromaticContact CE2-CD2 3.74Å; F419-F432 HydrophobicContact CE2-CD2 3.74Å; F419-F432 HydrophobicContact CE2-CE2 4.45Å; F419-F432 HydrophobicContact CE2-CG 4.26Å; F419-F432 HydrophobicContact CZ-CB 3.74Å; F419-F432 AromaticContact CZ-CD2 3.72Å; F419-F432 HydrophobicContact CZ-CD2 3.72Å; F419-F432 AromaticContact CZ-CG 3.79Å; F419-F432 HydrophobicContact CZ-CG 3.79Å; F419-F432 PolarHBondContact N-O 3.18Å; F419-F432 PolarHBondContact O-N 2.85Å; L421-F432 HydrophobicContact CB-CD2 4.14Å; L421-F432 HydrophobicContact CB-CE2 3.76Å; L421-F432 HydrophobicContact CD2-CE2 4.16Å; I430-F432 HydrophobicContact CB-CE2 3.96Å; I430-F432 HydrophobicContact CB-CZ 4.38Å; I430-F432 HydrophobicContact CG2-CD2 4.3Å; I430-F432 HydrophobicContact CG2-CE1 4.5Å; I430-F432 HydrophobicContact CG2-CE2 3.78Å; I430-F432 HydrophobicContact CG2-CZ 3.9Å |
| 433 | K | 93.3 | Very high | 72.5 | Confident | 93 Ų | 93 | 91 Ų | 91 | 40% | 0.404 | 53% | 0.528 | S | S | . | . | trans | -101.1 | 131.3 | 173.9 | -63.8 | -174.2 | 177.2 | -176.2 | 0 | 110.2 | D418 V431 S435 Q436 | D418-K433 WeakPolarHBondContact OD1-CA 3.3Å; V431-K433 HydrophobicContact CG1-CG 4.15Å; K433-S435 PolarHBondContact O-N 3.27Å; K433-Q436 HydrophobicContact CB-CB 4.34Å; K433-Q436 HydrophobicContact CB-CG 4.2Å; K433-Q436 PolarHBondContact O-N 3.1Å; K433-Q436 VanDerWaalsContact O-N 3.13Å | ||
| 434 | L | 86.2 | Confident | 69.9 | Low | 91 Ų | 91 | 94.6 Ų | 94.6 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -29.8 | -179.9 | -170.9 | 64.9 | 0 | 0 | 0 | 112.1 | P386 H390 D418 Q436 | P386-L434 HydrophobicContact CB-CD2 3.85Å; H390-L434 HydrophobicContact CB-CD1 4.39Å; D418-L434 PolarHBondContact OD1-N 3.3Å; L434-Q436 PolarHBondContact O-N 3.01Å |
| 435 | S | 79.6 | Confident | 67.3 | Low | 102 Ų | 102 | 99.5 Ų | 99.5 | 71% | 0.713 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -9.6 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | K433 | K433-S435 PolarHBondContact O-N 3.27Š|
| 436 | Q | 65.2 | Low | 66.4 | Low | 116 Ų | 116 | 97.1 Ų | 97.1 | 54% | 0.542 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -111.8 | 114 | -179.3 | -67.1 | -175.2 | -19.9 | 0 | 0 | 110.4 | K433 L434 G438 | K433-Q436 HydrophobicContact CB-CB 4.34Å; K433-Q436 HydrophobicContact CB-CG 4.2Å; K433-Q436 PolarHBondContact O-N 3.1Å; K433-Q436 VanDerWaalsContact O-N 3.13Å; L434-Q436 PolarHBondContact O-N 3.01Å; Q436-G438 PolarHBondContact O-N 3.16Å |
| 437 | P | 46 | Very low | 65.3 | Low | 134 Ų | 134 | 95.1 Ų | 95.1 | 87% | 0.87 | 59% | 0.586 | S | S | * | * | trans | -67.4 | 107.8 | 176.3 | 24.5 | -30.3 | 0 | 0 | 0 | 110.7 | ||||
| 438 | G | 49.4 | Very low | 64 | Low | 40 Ų | 40 | 91.6 Ų | 91.6 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | trans | 52.2 | 87.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117 | Q436 P440 | Q436-G438 PolarHBondContact O-N 3.16Å; G438-P440 VanDerWaalsContact O-CD 3.23Å; G438-P440 WeakPolarHBondContact O-CD 3.27Å | ||
| 439 | A | 39 | Very low | 62.3 | Low | 63 Ų | 63 | 91.9 Ų | 91.9 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | trans | -69.1 | 117.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 440 | P | 38.2 | Very low | 60.3 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | trans | -66.6 | 141.5 | 171.4 | 26.6 | -31.4 | 0 | 0 | 0 | 109.6 | G438 G442 | G438-P440 VanDerWaalsContact O-CD 3.23Å; G438-P440 WeakPolarHBondContact O-CD 3.27Å; P440-G442 PolarHBondContact O-N 3.27Å | ||
| 441 | M | 42.1 | Very low | 58.1 | Low | 111 Ų | 111 | 95.1 Ų | 95.1 | 55% | 0.547 | 60% | 0.604 | S | S | . | * | trans | -55.4 | 113.7 | 171 | -85.1 | -162.5 | -76.2 | 0 | 0 | 108.5 | T443 | M441-T443 PolarHBondContact O-N 3.47Š| ||
| 442 | G | 37.6 | Very low | 55.4 | Low | 63 Ų | 63 | 97.1 Ų | 97.1 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | trans | -58.4 | 123 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | P440 T444 | P440-G442 PolarHBondContact O-N 3.27Å; G442-T444 PolarHBondContact O-N 3.01Å | ||
| 443 | T | 33.5 | Very low | 52.3 | Low | 134 Ų | 134 | 103.2 Ų | 103.2 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | trans | -58.9 | 109.4 | 163.4 | 47.4 | 0 | 0 | 0 | 0 | 107 | M441 S445 | M441-T443 PolarHBondContact O-N 3.47Å; T443-S445 PolarHBondContact O-N 3.04Å | ||
| 444 | T | 35.9 | Very low | 48.9 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 56% | 0.558 | 68% | 0.682 | S | S | * | * | trans | -59.1 | 106.4 | 166.9 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | G442 | G442-T444 PolarHBondContact O-N 3.01Š| ||
| 445 | S | 33.9 | Very low | 45.5 | Very low | 185 Ų | 185 | 105.3 Ų | 105.3 | 100% | 1.294 | 70% | 0.7 | S | S | * | * | trans | -94.4 | 0 | 164.8 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | T443 | T443-S445 PolarHBondContact O-N 3.04Š|
Retrieved 445 of 445 residues in 762 ms
(Link to these results)