| 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 | 65.6 | Low | 92.6 | Very high | 89 Ų | 89 | 21.2 Ų | 21.2 | 44% | 0.438 | 11% | 0.107 | S | C | . | . | 0 | 169.6 | 0 | -82.8 | -169.1 | -163 | 0 | 0 | 110.1 | E39 S272 | M1-E39 WeakPolarHBondContact CB-OE2 3.33Å; M1-E39 HydrophobicContact CE-CB 3.39Å; M1-E39 HydrophobicContact CE-CG 4.2Å; M1-E39 HydrophobicContact CG-CB 3.88Å; M1-E39 HydrophobicContact CG-CG 4.35Å; M1-E39 WeakPolarHBondContact CG-OE2 3.41Å; M1-E39 PolarHBondContact N-OE2 3.34Å; M1-E39 HydrophobicContact SD-CB 3.67Å; M1-S272 VanDerWaalsContact SD-O 3.41Å | |||
| 2 | T | 84.3 | Confident | 92.7 | Very high | 36 Ų | 36 | 21.7 Ų | 21.7 | 22% | 0.221 | 11% | 0.113 | C | C | . | . | trans | -67.8 | 147.2 | 170.9 | 49.4 | 0 | 0 | 0 | 0 | 111.7 | Q139 | T2-Q139 HydrophobicContact CG2-CB 3.98Å; T2-Q139 HydrophobicContact CG2-CG 4.31Å; T2-Q139 PolarHBondContact OG1-OE1 3.02Å | ||
| 3 | Q | 92.9 | Very high | 93 | Very high | 7 Ų | 7 | 20 Ų | 20 | 3% | 0.033 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.4 | -177.8 | -65.5 | 156.7 | -20.8 | 0 | 0 | 109.9 | S43 C135 D136 C137 Q139 | Q3-S43 WeakPolarHBondContact CA-O 3.37Å; Q3-C135 HydrophobicContact CB-CB 4.09Å; Q3-D136 PolarHBondContact NE2-OD2 3.14Å; Q3-C137 PolarHBondContact N-O 3.41Å; Q3-Q139 PolarHBondContact O-N 3.02Å |
| 4 | S | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.9 | -177.7 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | S43 R70 C140 | S4-S43 PolarHBondContact N-O 2.95Å; S4-R70 WeakPolarHBondContact O-CB 3.49Å; S4-C140 WeakPolarHBondContact CA-O 3.33Å; S4-C140 PolarHBondContact OG-SG 3.28Å |
| 5 | V | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.6 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | V7 R70 V72 A131 L138 C140 F141 F142 | V5-V7 HydrophobicContact CG1-CG2 4.29Å; V5-R70 WeakPolarHBondContact CA-O 3.47Å; V5-R70 HydrophobicContact CG2-CB 4.44Å; V5-V72 HydrophobicContact CG1-CG2 4.48Å; V5-A131 HydrophobicContact CG1-CB 3.9Å; V5-A131 HydrophobicContact CG2-CB 4.27Å; V5-L138 HydrophobicContact CB-CD1 4.41Å; V5-L138 HydrophobicContact CG2-CD1 3.8Å; V5-C140 PolarHBondContact N-O 3.09Å; V5-C140 VanDerWaalsContact N-O 3.15Å; V5-F141 HydrophobicContact CB-CD1 3.68Å; V5-F141 HydrophobicContact CB-CE1 3.76Å; V5-F141 HydrophobicContact CG1-CD1 3.92Å; V5-F141 HydrophobicContact CG1-CE1 3.92Å; V5-F141 HydrophobicContact CG2-CE1 4.23Å; V5-F141 WeakPolarHBondContact O-CA 3.35Å; V5-F142 PolarHBondContact O-N 3.47Å |
| 6 | V | 98.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.2 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | Q8 F20 W21 F44 R70 A71 V72 F142 I144 | V6-Q8 HydrophobicContact CG1-CG 4Å; V6-F20 HydrophobicContact CG2-CE1 3.94Å; V6-W21 HydrophobicContact CB-CZ2 3.82Å; V6-W21 HydrophobicContact CG2-CH2 4.18Å; V6-W21 HydrophobicContact CG2-CZ2 3.83Å; V6-F44 HydrophobicContact CG2-CD1 3.79Å; V6-F44 HydrophobicContact CG2-CE1 3.7Å; V6-R70 PolarHBondContact N-O 3.1Å; V6-A71 CarbonylContact O-C 3.6Å; V6-A71 VanDerWaalsContact O-CA 3.22Å; V6-A71 WeakPolarHBondContact O-CA 3.48Å; V6-V72 PolarHBondContact O-N 3.4Å; V6-F142 CarbonylContact C-O 3.56Å; V6-F142 WeakPolarHBondContact CA-O 3.27Å; V6-F142 HydrophobicContact CG1-CB 4.27Å; V6-F142 HydrophobicContact CG2-CB 4.29Å; V6-I144 HydrophobicContact CG1-CD1 3.54Å; V6-I144 HydrophobicContact CG1-CG1 4.19Å |
| 7 | V | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.3 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | V5 V9 V72 I74 L128 F141 F142 L143 I144 V159 | V5-V7 HydrophobicContact CG1-CG2 4.29Å; V7-V9 HydrophobicContact CG1-CG2 4.02Å; V7-V72 WeakPolarHBondContact CA-O 3.29Å; V7-V72 HydrophobicContact CG1-CB 4.37Å; V7-V72 HydrophobicContact CG2-CB 4.48Å; V7-I74 HydrophobicContact CG1-CD1 4.25Å; V7-L128 HydrophobicContact CG1-CD2 4.41Å; V7-L128 HydrophobicContact CG2-CD2 3.72Å; V7-F141 HydrophobicContact CG2-CD1 4.25Å; V7-F142 PolarHBondContact N-O 3.03Å; V7-L143 HydrophobicContact CB-CD1 4.02Å; V7-L143 HydrophobicContact CG1-CD1 4Å; V7-L143 WeakPolarHBondContact O-CA 3.49Å; V7-I144 PolarHBondContact O-N 3.41Å; V7-V159 HydrophobicContact CG1-CG1 3.88Å |
| 8 | Q | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.3 | -173.8 | -59.3 | 178.2 | -3.7 | 0 | 0 | 108.1 | V6 N14 W21 V72 L73 I74 I144 | V6-Q8 HydrophobicContact CG1-CG 4Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.12Å; Q8-N14 PolarHBondContact O-OD1 3.34Å; Q8-W21 VanDerWaalsContact NE2-CD1 3.32Å; Q8-V72 PolarHBondContact N-O 2.9Å; Q8-L73 HydrophobicContact CB-CG 4.48Å; Q8-I74 PolarHBondContact O-N 3.23Å; Q8-I144 HydrophobicContact CG-CD1 4.45Å |
| 9 | V | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.1 | -172.7 | -168 | 0 | 0 | 0 | 0 | 112.1 | V7 I74 L143 I144 H145 T151 L155 V159 | V7-V9 HydrophobicContact CG1-CG2 4.02Å; V9-I74 CarbonylContact C-O 3.46Å; V9-I74 WeakPolarHBondContact CA-O 3.33Å; V9-I74 HydrophobicContact CG1-CB 4.29Å; V9-I74 HydrophobicContact CG1-CG2 4.27Å; V9-I74 HydrophobicContact CG2-CB 4.29Å; V9-I74 HydrophobicContact CG2-CD1 4.33Å; V9-L143 HydrophobicContact CG2-CD1 3.68Å; V9-I144 PolarHBondContact N-O 3.47Å; V9-H145 HydrophobicContact CB-CB 4.34Å; V9-T151 HydrophobicContact CG1-CG2 4.31Å; V9-L155 HydrophobicContact CG1-CB 4.3Å; V9-L155 HydrophobicContact CG1-CG 4.4Å; V9-V159 HydrophobicContact CG2-CG2 4.43Å |
| 10 | G | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | 72.1 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C12 G13 N14 I74 D75 | G10-C12 VanDerWaalsContact C-N 3.33Å; G10-C12 PolarHBondContact O-N 3.37Å; G10-G13 PolarHBondContact O-N 3.46Å; G10-G13 VanDerWaalsContact O-N 3.1Å; G10-N14 PolarHBondContact O-N 3.36Å; G10-N14 PolarHBondContact O-ND2 3.36Å; G10-N14 VanDerWaalsContact O-ND2 3.08Å; G10-I74 PolarHBondContact N-O 3.36Å; G10-D75 WeakPolarHBondContact CA-OD1 3.4Å |
| 11 | Q | 93.8 | Very high | 93.5 | Very high | 98 Ų | 98 | 16.3 Ų | 16.3 | 46% | 0.458 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -46.3 | -51.8 | -177.6 | 169.4 | 170.9 | -18.9 | 0 | 0 | 113.7 | Q15 D75 V80 | Q11-Q15 VanDerWaalsContact CG-NE2 3.33Å; Q11-Q15 WeakPolarHBondContact O-CB 3.39Å; Q11-Q15 VanDerWaalsContact O-CG 3.23Å; Q11-Q15 WeakPolarHBondContact O-CG 3.13Å; Q11-Q15 PolarHBondContact O-N 3.3Å; Q11-D75 WeakPolarHBondContact CA-OD2 3.39Å; Q11-D75 PolarHBondContact N-OD2 3.03Å; Q11-D75 VanDerWaalsContact N-OD2 3.09Å; Q11-V80 HydrophobicContact CB-CG2 4.14Å; Q11-V80 HydrophobicContact CG-CG2 3.77Å |
| 12 | C | 94.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 13 Ų | 13 | 18% | 0.182 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | -178.3 | -179 | 0 | 0 | 0 | 0 | 112.2 | G10 N14 Q15 V16 M177 | G10-C12 VanDerWaalsContact C-N 3.33Å; G10-C12 PolarHBondContact O-N 3.37Å; C12-N14 PolarHBondContact O-N 2.88Å; C12-Q15 PolarHBondContact O-N 2.94Å; C12-V16 PolarHBondContact O-N 3.16Å; C12-M177 WeakPolarHBondContact SG-CE 3.46Å |
| 13 | G | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 G17 I144 | G10-G13 PolarHBondContact O-N 3.46Å; G10-G13 VanDerWaalsContact O-N 3.1Å; G13-G17 WeakPolarHBondContact O-CA 3.27Å; G13-G17 PolarHBondContact O-N 3.43Å; G13-I144 WeakPolarHBondContact CA-O 3.44Å |
| 14 | N | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.2 | -35.1 | 178 | -70.2 | -50.5 | 0 | 0 | 0 | 112.7 | Q8 G10 C12 C18 I74 D75 V80 I84 | Q8-N14 WeakPolarHBondContact CB-OD1 3.12Å; Q8-N14 PolarHBondContact O-OD1 3.34Å; G10-N14 PolarHBondContact O-N 3.36Å; G10-N14 PolarHBondContact O-ND2 3.36Å; G10-N14 VanDerWaalsContact O-ND2 3.08Å; C12-N14 PolarHBondContact O-N 2.88Å; N14-C18 WeakPolarHBondContact O-CB 3.46Å; N14-C18 PolarHBondContact O-N 3.22Å; N14-I74 PolarHBondContact ND2-O 3.49Å; N14-I74 VanDerWaalsContact ND2-O 3.12Å; N14-D75 WeakPolarHBondContact ND2-CB 3.37Å; N14-D75 PolarHBondContact ND2-OD2 3.24Å; N14-V80 HydrophobicContact CB-CB 4.49Å; N14-V80 HydrophobicContact CB-CG1 3.69Å; N14-I84 HydrophobicContact CB-CD1 4.38Å |
| 15 | Q | 94.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 13.8 Ų | 13.8 | 17% | 0.173 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69 | -47.5 | 176.4 | -74 | 179.6 | 23.5 | 0 | 0 | 112.8 | Q11 C12 G17 C18 R19 V80 | Q11-Q15 VanDerWaalsContact CG-NE2 3.33Å; Q11-Q15 WeakPolarHBondContact O-CB 3.39Å; Q11-Q15 VanDerWaalsContact O-CG 3.23Å; Q11-Q15 WeakPolarHBondContact O-CG 3.13Å; Q11-Q15 PolarHBondContact O-N 3.3Å; C12-Q15 PolarHBondContact O-N 2.94Å; Q15-G17 VanDerWaalsContact C-N 3.3Å; Q15-C18 PolarHBondContact O-N 3.49Å; Q15-R19 PolarHBondContact O-N 2.72Å; Q15-V80 HydrophobicContact CG-CG1 3.88Å; Q15-V80 HydrophobicContact CG-CG2 4.33Å |
| 16 | V | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.6 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | C12 C18 R19 F20 I144 M177 N258 V261 L265 | C12-V16 PolarHBondContact O-N 3.16Å; V16-C18 PolarHBondContact O-N 2.85Å; V16-R19 PolarHBondContact O-N 3.26Å; V16-R19 VanDerWaalsContact O-N 3.07Å; V16-F20 PolarHBondContact O-N 3.4Å; V16-I144 HydrophobicContact CB-CG2 4.12Å; V16-I144 HydrophobicContact CG1-CG2 3.93Å; V16-M177 HydrophobicContact CB-CE 4.03Å; V16-M177 HydrophobicContact CG1-CE 4.41Å; V16-M177 HydrophobicContact CG2-CE 3.58Å; V16-N258 HydrophobicContact CG2-CB 4.21Å; V16-N258 VanDerWaalsContact CG2-OD1 3.28Å; V16-N258 WeakPolarHBondContact CG2-OD1 3.31Å; V16-V261 HydrophobicContact CG1-CB 3.89Å; V16-V261 HydrophobicContact CG1-CG1 3.61Å; V16-V261 HydrophobicContact CG2-CB 4.34Å; V16-V261 HydrophobicContact CG2-CG1 4.45Å; V16-L265 HydrophobicContact CG1-CD1 4.46Å |
| 17 | G | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.3 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G13 Q15 R19 F20 W21 | G13-G17 WeakPolarHBondContact O-CA 3.27Å; G13-G17 PolarHBondContact O-N 3.43Å; Q15-G17 VanDerWaalsContact C-N 3.3Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 2.96Å; G17-F20 WeakPolarHBondContact O-CB 3.24Å; G17-F20 PolarHBondContact O-N 2.57Å; G17-W21 PolarHBondContact O-N 2.93Å |
| 18 | C | 92.8 | Very high | 93.6 | Very high | 18 Ų | 18 | 16.9 Ų | 16.9 | 12% | 0.122 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.2 | -39.8 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | N14 Q15 V16 D22 I84 | N14-C18 WeakPolarHBondContact O-CB 3.46Å; N14-C18 PolarHBondContact O-N 3.22Å; Q15-C18 PolarHBondContact O-N 3.49Å; V16-C18 PolarHBondContact O-N 2.85Å; C18-D22 WeakPolarHBondContact O-CB 3.32Å; C18-D22 PolarHBondContact O-N 3.28Å; C18-I84 HydrophobicContact CB-CD1 4.05Å; C18-I84 HydrophobicContact CB-CG1 4.18Å |
| 19 | R | 92.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 9% | 0.087 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71 | -39.7 | 176.1 | -65.8 | -57.3 | -179.9 | -173.9 | -4.8 | 112.2 | Q15 V16 G17 W21 D22 L23 D255 N258 N259 A262 | Q15-R19 PolarHBondContact O-N 2.72Å; V16-R19 PolarHBondContact O-N 3.26Å; V16-R19 VanDerWaalsContact O-N 3.07Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 2.96Å; R19-W21 PolarHBondContact O-N 3.39Å; R19-D22 IonicContact NH1-OD2 3.08Å; R19-D22 PolarHBondContact O-N 3.1Å; R19-L23 WeakPolarHBondContact O-CB 3.43Å; R19-L23 VanDerWaalsContact O-CG 3.3Å; R19-L23 WeakPolarHBondContact O-CG 3.26Å; R19-L23 PolarHBondContact O-N 3.36Å; R19-D255 IonicContact CZ-OD1 2.74Å; R19-D255 VanDerWaalsContact CZ-OD1 3.3Å; R19-D255 IonicContact CZ-OD2 3.19Å; R19-D255 IonicContact NE-OD1 2.86Å; R19-D255 PolarHBondContact NE-OD1 3.35Å; R19-D255 IonicContact NH2-OD1 3.13Å; R19-D255 PolarHBondContact NH2-OD1 3.18Å; R19-D255 IonicContact NH2-OD2 3.35Å; R19-D255 PolarHBondContact NH2-OD2 3.12Å; R19-N258 HydrophobicContact CB-CB 4.39Å; R19-N258 HydrophobicContact CG-CB 3.79Å; R19-N259 WeakPolarHBondContact CD-OD1 3.41Å; R19-A262 HydrophobicContact CB-CB 3.94Å |
| 20 | F | 95.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 173.6 | 168.5 | -100.5 | 0 | 0 | 0 | 111.9 | V6 V16 G17 D22 L23 A24 F44 A262 L265 L266 | V6-F20 HydrophobicContact CG2-CE1 3.94Å; V16-F20 PolarHBondContact O-N 3.4Å; G17-F20 WeakPolarHBondContact O-CB 3.24Å; G17-F20 PolarHBondContact O-N 2.57Å; F20-D22 PolarHBondContact O-N 2.89Å; F20-L23 PolarHBondContact O-N 3.34Å; F20-A24 VanDerWaalsContact O-CB 3.26Å; F20-A24 WeakPolarHBondContact O-CB 3Å; F20-A24 PolarHBondContact O-N 3.14Å; F20-F44 HydrophobicContact CE1-CD1 4.35Å; F20-F44 HydrophobicContact CZ-CD1 4.21Å; F20-F44 HydrophobicContact CZ-CD2 4.46Å; F20-F44 HydrophobicContact CZ-CE1 4.08Å; F20-F44 HydrophobicContact CZ-CE2 4.36Å; F20-F44 HydrophobicContact CZ-CG 4.4Å; F20-F44 HydrophobicContact CZ-CZ 4.19Å; F20-A262 HydrophobicContact CB-CB 4.2Å; F20-L265 HydrophobicContact CB-CD1 4.36Å; F20-L265 HydrophobicContact CD2-CB 3.53Å; F20-L265 HydrophobicContact CD2-CD1 4.13Å; F20-L265 HydrophobicContact CE2-CB 3.76Å; F20-L265 HydrophobicContact CG-CB 4.47Å; F20-L265 HydrophobicContact CG-CD1 4.3Å; F20-L266 HydrophobicContact CD2-CD2 4.09Å; F20-L266 HydrophobicContact CD2-CG 4.27Å; F20-L266 HydrophobicContact CE2-CD2 3.83Å; F20-L266 HydrophobicContact CE2-CG 4.35Å |
| 21 | W | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | -178.5 | -69.9 | 116.7 | 0 | 0 | 0 | 113.2 | V6 Q8 G17 R19 L25 F44 F45 A69 A71 L89 F93 | V6-W21 HydrophobicContact CB-CZ2 3.82Å; V6-W21 HydrophobicContact CG2-CH2 4.18Å; V6-W21 HydrophobicContact CG2-CZ2 3.83Å; Q8-W21 VanDerWaalsContact NE2-CD1 3.32Å; G17-W21 PolarHBondContact O-N 2.93Å; R19-W21 PolarHBondContact O-N 3.39Å; W21-L25 WeakPolarHBondContact O-CG 3.48Å; W21-L25 PolarHBondContact O-N 3.03Å; W21-L25 VanDerWaalsContact O-N 3.15Å; W21-F44 HydrophobicContact CH2-CB 3.93Å; W21-F44 HydrophobicContact CH2-CD1 4.17Å; W21-F44 HydrophobicContact CH2-CG 4.47Å; W21-F44 HydrophobicContact CZ3-CB 3.68Å; W21-F44 HydrophobicContact CZ3-CG 4.46Å; W21-F45 HydrophobicContact CE3-CD1 4.45Å; W21-F45 AromaticContact CE3-CE1 3.53Å; W21-F45 HydrophobicContact CE3-CE1 3.53Å; W21-F45 HydrophobicContact CE3-CE2 4.31Å; W21-F45 AromaticContact CE3-CZ 3.45Å; W21-F45 HydrophobicContact CE3-CZ 3.45Å; W21-F45 VanDerWaalsContact CE3-CZ 3.45Å; W21-F45 HydrophobicContact CZ3-CD1 4.18Å; W21-F45 AromaticContact CZ3-CE1 3.67Å; W21-F45 HydrophobicContact CZ3-CE1 3.67Å; W21-F45 HydrophobicContact CZ3-CE2 4.15Å; W21-F45 AromaticContact CZ3-CZ 3.66Å; W21-F45 HydrophobicContact CZ3-CZ 3.66Å; W21-A69 HydrophobicContact CD2-CB 4Å; W21-A69 HydrophobicContact CE3-CB 3.79Å; W21-A69 HydrophobicContact CH2-CB 3.61Å; W21-A69 HydrophobicContact CZ2-CB 3.82Å; W21-A69 HydrophobicContact CZ3-CB 3.55Å; W21-A71 HydrophobicContact CH2-CB 4.41Å; W21-A71 HydrophobicContact CZ2-CB 3.51Å; W21-L89 HydrophobicContact CB-CD1 4.09Å; W21-F93 HydrophobicContact CB-CZ 4.15Å; W21-F93 AromaticContact CD1-CE1 3.46Å; W21-F93 VanDerWaalsContact CD1-CE1 3.46Å; W21-F93 AromaticContact CD1-CZ 3.35Å; W21-F93 HydrophobicContact CD2-CE1 4.45Å; W21-F93 HydrophobicContact CG-CE1 4.04Å; W21-F93 AromaticContact CG-CZ 3.8Å; W21-F93 HydrophobicContact CG-CZ 3.8Å; W21-F93 AromaticContact NE1-CE1 3.55Å; W21-F93 AromaticContact NE1-CZ 3.96Å |
| 22 | D | 91.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 24 Ų | 24 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -53.5 | 174.3 | -178.5 | 20 | 0 | 0 | 0 | 111.1 | C18 R19 F20 A24 L25 R26 L89 | C18-D22 WeakPolarHBondContact O-CB 3.32Å; C18-D22 PolarHBondContact O-N 3.28Å; R19-D22 IonicContact NH1-OD2 3.08Å; R19-D22 PolarHBondContact O-N 3.1Å; F20-D22 PolarHBondContact O-N 2.89Å; D22-A24 PolarHBondContact O-N 2.92Å; D22-L25 PolarHBondContact O-N 3.04Å; D22-R26 VanDerWaalsContact CG-NH2 3.3Å; D22-R26 WeakPolarHBondContact O-CG 3.29Å; D22-R26 PolarHBondContact O-N 2.92Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.45Å; D22-R26 IonicContact OD1-NE 3.68Å; D22-R26 PolarHBondContact OD1-NE 3.27Å; D22-R26 IonicContact OD1-NH2 2.74Å; D22-R26 PolarHBondContact OD1-NH2 3.26Å; D22-R26 IonicContact OD2-CZ 2.68Å; D22-R26 IonicContact OD2-NE 3.91Å; D22-R26 IonicContact OD2-NH2 3.99Å; D22-R26 PolarHBondContact OD2-NH2 3.2Å; D22-L89 HydrophobicContact CB-CD1 4.12Å |
| 23 | L | 91.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -34.3 | -178 | -65.2 | 179.9 | 0 | 0 | 0 | 112.5 | R19 F20 R26 E27 A262 L266 | R19-L23 WeakPolarHBondContact O-CB 3.43Å; R19-L23 VanDerWaalsContact O-CG 3.3Å; R19-L23 WeakPolarHBondContact O-CG 3.26Å; R19-L23 PolarHBondContact O-N 3.36Å; F20-L23 PolarHBondContact O-N 3.34Å; L23-R26 PolarHBondContact O-N 3.34Å; L23-E27 WeakPolarHBondContact O-CB 3.43Å; L23-E27 PolarHBondContact O-N 3.32Å; L23-A262 HydrophobicContact CD1-CB 3.8Å; L23-L266 HydrophobicContact CB-CD1 3.5Å; L23-L266 VanDerWaalsContact CB-CD1 3.5Å; L23-L266 HydrophobicContact CD1-CD1 4.41Å |
| 24 | A | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -50.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F20 D22 R26 E27 H28 F45 L266 | F20-A24 VanDerWaalsContact O-CB 3.26Å; F20-A24 WeakPolarHBondContact O-CB 3Å; F20-A24 PolarHBondContact O-N 3.14Å; D22-A24 PolarHBondContact O-N 2.92Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.9Å; A24-E27 WeakPolarHBondContact O-CB 3.34Å; A24-E27 PolarHBondContact O-N 3.45Å; A24-H28 PolarHBondContact O-CD2 3.22Å; A24-H28 PolarHBondContact O-N 3.42Å; A24-F45 HydrophobicContact CB-CE2 4.36Å; A24-F45 HydrophobicContact CB-CZ 4.36Å; A24-L266 HydrophobicContact CB-CD2 3.79Å |
| 25 | L | 91.3 | Very high | 90.1 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 178.1 | -73.4 | 171.3 | 0 | 0 | 0 | 112 | W21 D22 E27 H28 A29 F45 L67 L89 V92 | W21-L25 WeakPolarHBondContact O-CG 3.48Å; W21-L25 PolarHBondContact O-N 3.03Å; W21-L25 VanDerWaalsContact O-N 3.15Å; D22-L25 PolarHBondContact O-N 3.04Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 PolarHBondContact O-N 2.9Å; L25-H28 PolarHBondContact O-N 2.66Å; L25-A29 VanDerWaalsContact O-CB 3.3Å; L25-A29 WeakPolarHBondContact O-CB 3.45Å; L25-A29 PolarHBondContact O-N 2.86Å; L25-F45 HydrophobicContact CD1-CE1 4.43Å; L25-F45 HydrophobicContact CD1-CZ 4.49Å; L25-F45 HydrophobicContact CD2-CD1 4.36Å; L25-F45 HydrophobicContact CD2-CE1 3.72Å; L25-F45 HydrophobicContact CD2-CE2 4.04Å; L25-F45 HydrophobicContact CD2-CZ 3.53Å; L25-F45 HydrophobicContact CG-CE1 4.02Å; L25-F45 HydrophobicContact CG-CE2 4.47Å; L25-F45 HydrophobicContact CG-CZ 3.67Å; L25-L67 HydrophobicContact CD2-CD1 3.99Å; L25-L89 HydrophobicContact CD1-CD2 3.81Å; L25-V92 HydrophobicContact CD1-CG2 4.01Å |
| 26 | R | 88.9 | Confident | 89.8 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 176 | -68.6 | 178.7 | -162.9 | -163.7 | 7.8 | 112.1 | D22 L23 A24 A29 H30 G243 G245 | D22-R26 VanDerWaalsContact CG-NH2 3.3Å; D22-R26 WeakPolarHBondContact O-CG 3.29Å; D22-R26 PolarHBondContact O-N 2.92Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.45Å; D22-R26 IonicContact OD1-NE 3.68Å; D22-R26 PolarHBondContact OD1-NE 3.27Å; D22-R26 IonicContact OD1-NH2 2.74Å; D22-R26 PolarHBondContact OD1-NH2 3.26Å; D22-R26 IonicContact OD2-CZ 2.68Å; D22-R26 IonicContact OD2-NE 3.91Å; D22-R26 IonicContact OD2-NH2 3.99Å; D22-R26 PolarHBondContact OD2-NH2 3.2Å; L23-R26 PolarHBondContact O-N 3.34Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.9Å; R26-A29 PolarHBondContact O-N 2.78Å; R26-H30 WeakPolarHBondContact O-CB 3.24Å; R26-H30 PolarHBondContact O-N 2.74Å; R26-G243 PolarHBondContact NH1-O 2.88Å; R26-G243 VanDerWaalsContact NH1-O 3.14Å; R26-G243 PolarHBondContact NH2-O 3.1Å; R26-G245 VanDerWaalsContact NH2-C 3.33Å; R26-G245 PolarHBondContact NH2-O 2.85Å |
| 27 | E | 89.6 | Confident | 89.5 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 178.1 | -169.8 | 172.2 | -128.4 | 0 | 0 | 111.5 | L23 A24 L25 H30 V31 R273 F274 R350 V389 | L23-E27 WeakPolarHBondContact O-CB 3.43Å; L23-E27 PolarHBondContact O-N 3.32Å; A24-E27 WeakPolarHBondContact O-CB 3.34Å; A24-E27 PolarHBondContact O-N 3.45Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 PolarHBondContact O-N 2.9Å; E27-H30 WeakPolarHBondContact O-CB 3.34Å; E27-H30 PolarHBondContact O-N 3.13Å; E27-V31 PolarHBondContact O-N 3.13Å; E27-R273 IonicContact OE2-CZ 3.61Å; E27-R273 IonicContact OE2-NH1 2.64Å; E27-R273 PolarHBondContact OE2-NH1 3.33Å; E27-R273 IonicContact OE2-NH2 3.51Å; E27-R273 PolarHBondContact OE2-NH2 3.47Å; E27-F274 HydrophobicContact CG-CE2 3.9Å; E27-F274 HydrophobicContact CG-CZ 3.87Å; E27-R350 IonicContact OE1-CZ 3.09Å; E27-R350 IonicContact OE1-NH1 2.92Å; E27-R350 PolarHBondContact OE1-NH1 3.13Å; E27-R350 IonicContact OE1-NH2 3.67Å; E27-R350 PolarHBondContact OE1-NH2 3.45Å; E27-R350 IonicContact OE2-NH1 2.93Å; E27-R350 IonicContact OE2-NH2 3.58Å; E27-V389 HydrophobicContact CB-CG2 4.17Å; E27-V389 HydrophobicContact CG-CG2 4.4Å |
| 28 | H | 89.4 | Confident | 89.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.3 | -73.6 | -72.4 | 0 | 0 | 0 | 112.1 | A24 L25 H30 V31 N32 A40 L41 R273 F274 | A24-H28 PolarHBondContact O-CD2 3.22Å; A24-H28 PolarHBondContact O-N 3.42Å; L25-H28 PolarHBondContact O-N 2.66Å; H28-H30 PolarHBondContact O-N 3.4Å; H28-V31 PolarHBondContact O-N 2.93Å; H28-N32 WeakPolarHBondContact O-CB 3.38Å; H28-N32 PolarHBondContact O-N 3.19Å; H28-A40 PolarHBondContact CE1-O 3.33Å; H28-L41 HydrophobicContact CB-CD2 3.61Å; H28-L41 HydrophobicContact CB-CG 3.95Å; H28-L41 VanDerWaalsContact CG-CD2 3.47Å; H28-R273 PolarHBondContact NE2-NH1 2.76Å; H28-F274 AromaticContact CE1-CE1 3.81Å; H28-F274 AromaticContact CE1-CZ 3.76Å; H28-F274 AromaticContact ND1-CE1 3.73Å; H28-F274 AromaticContact ND1-CZ 3.87Å |
| 29 | A | 88.3 | Confident | 88.9 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.2 | -24.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L25 R26 K33 | L25-A29 VanDerWaalsContact O-CB 3.3Å; L25-A29 WeakPolarHBondContact O-CB 3.45Å; L25-A29 PolarHBondContact O-N 2.86Å; R26-A29 PolarHBondContact O-N 2.78Å; A29-K33 PolarHBondContact O-NZ 3.05Å |
| 30 | H | 86.6 | Confident | 88.7 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.8 | -41.9 | 174.3 | -171.7 | 79.6 | 0 | 0 | 0 | 111.4 | R26 E27 H28 K33 V389 | R26-H30 WeakPolarHBondContact O-CB 3.24Å; R26-H30 PolarHBondContact O-N 2.74Å; E27-H30 WeakPolarHBondContact O-CB 3.34Å; E27-H30 PolarHBondContact O-N 3.13Å; H28-H30 PolarHBondContact O-N 3.4Å; H30-K33 WeakPolarHBondContact O-CE 3.49Å; H30-K33 PolarHBondContact O-NZ 3.21Å; H30-V389 HydrophobicContact CB-CG2 3.86Å |
| 31 | V | 85.9 | Confident | 88.5 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -85.4 | -46.6 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | E27 H28 K33 F274 V386 | E27-V31 PolarHBondContact O-N 3.13Å; H28-V31 PolarHBondContact O-N 2.93Å; V31-K33 PolarHBondContact O-N 3.45Å; V31-F274 HydrophobicContact CG2-CE1 4.2Å; V31-V386 HydrophobicContact CG2-CG1 3.41Å; V31-V386 VanDerWaalsContact CG2-CG1 3.41Å; V31-V386 HydrophobicContact CG2-CG2 4.39Å |
| 32 | N | 86.6 | Confident | 88.3 | Confident | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | trans | -94.5 | 85.7 | -173.1 | -174 | -19.8 | 0 | 0 | 0 | 111.4 | H28 R34 G35 L36 D38 | H28-N32 WeakPolarHBondContact O-CB 3.38Å; H28-N32 PolarHBondContact O-N 3.19Å; N32-R34 VanDerWaalsContact C-N 3.27Å; N32-R34 PolarHBondContact O-N 2.81Å; N32-R34 PolarHBondContact OD1-N 3.22Å; N32-G35 PolarHBondContact OD1-N 3.35Å; N32-G35 VanDerWaalsContact OD1-N 3.13Å; N32-L36 PolarHBondContact ND2-O 3.45Å; N32-L36 PolarHBondContact OD1-N 2.94Å; N32-D38 PolarHBondContact ND2-OD2 3.25Å | ||
| 33 | K | 84.5 | Confident | 88.3 | Confident | 155 Ų | 155 | 45.1 Ų | 45.1 | 67% | 0.674 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.3 | 177.6 | -58.5 | -53.6 | -176.1 | -162.9 | 0 | 114.5 | A29 H30 V31 | A29-K33 PolarHBondContact O-NZ 3.05Å; H30-K33 WeakPolarHBondContact O-CE 3.49Å; H30-K33 PolarHBondContact O-NZ 3.21Å; V31-K33 PolarHBondContact O-N 3.45Å |
| 34 | R | 83.9 | Confident | 88.4 | Confident | 204 Ų | 204 | 44.2 Ų | 44.2 | 77% | 0.77 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.8 | -176 | -63.2 | -178.9 | 67.5 | -171.3 | 0.3 | 112.8 | N32 L36 | N32-R34 VanDerWaalsContact C-N 3.27Å; N32-R34 PolarHBondContact O-N 2.81Å; N32-R34 PolarHBondContact OD1-N 3.22Å; R34-L36 VanDerWaalsContact C-N 3.28Å; R34-L36 HydrophobicContact CB-CD1 4.17Å; R34-L36 HydrophobicContact CB-CG 3.98Å; R34-L36 PolarHBondContact O-N 3.42Å |
| 35 | G | 83.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | trans | 66.8 | 30.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | N32 I64 | N32-G35 PolarHBondContact OD1-N 3.35Å; N32-G35 VanDerWaalsContact OD1-N 3.13Å; G35-I64 WeakPolarHBondContact O-CG1 3.48Å; G35-I64 PolarHBondContact O-N 3.04Å; G35-I64 VanDerWaalsContact O-N 3.14Å | ||
| 36 | L | 87.9 | Confident | 88.4 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -92.7 | 147.6 | 176.6 | -61.3 | 179.1 | 0 | 0 | 0 | 109.9 | N32 R34 D38 G62 R63 | N32-L36 PolarHBondContact ND2-O 3.45Å; N32-L36 PolarHBondContact OD1-N 2.94Å; R34-L36 VanDerWaalsContact C-N 3.28Å; R34-L36 HydrophobicContact CB-CD1 4.17Å; R34-L36 HydrophobicContact CB-CG 3.98Å; R34-L36 PolarHBondContact O-N 3.42Å; L36-D38 PolarHBondContact O-N 2.91Å; L36-G62 CarbonylContact C-O 3.58Å; L36-G62 WeakPolarHBondContact CA-O 3.12Å; L36-R63 HydrophobicContact CD2-CG 4.31Å |
| 37 | Y | 89 | Confident | 88.4 | Confident | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -78.8 | 108.7 | 171.8 | 179.3 | -117.7 | 0 | 0 | 0 | 108.5 | L41 S42 F45 N47 V60 G61 G62 L67 | Y37-L41 HydrophobicContact CD2-CB 4Å; Y37-L41 HydrophobicContact CE2-CB 4.06Å; Y37-S42 WeakPolarHBondContact OH-CA 3.31Å; Y37-S42 WeakPolarHBondContact OH-CB 3.29Å; Y37-F45 PolarHBondContact OH-O 3.34Å; Y37-N47 WeakPolarHBondContact CB-ND2 3.2Å; Y37-N47 HydrophobicContact CD1-CB 3.65Å; Y37-N47 HydrophobicContact CD2-CB 3.61Å; Y37-N47 HydrophobicContact CE1-CB 3.81Å; Y37-N47 HydrophobicContact CE2-CB 3.75Å; Y37-N47 HydrophobicContact CG-CB 3.54Å; Y37-V60 HydrophobicContact CD1-CG2 4.31Å; Y37-V60 HydrophobicContact CE1-CG2 4.07Å; Y37-G61 PolarHBondContact O-N 3.28Å; Y37-G62 PolarHBondContact N-O 2.86Å; Y37-L67 HydrophobicContact CD2-CD2 4.04Å; Y37-L67 HydrophobicContact CE2-CD2 4.21Å | ||
| 38 | D | 88.6 | Confident | 88.3 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 23% | 0.225 | 21% | 0.211 | C | C | . | . | trans | -104.3 | 172.4 | -177.5 | 58.5 | 19 | 0 | 0 | 0 | 111.8 | N32 L36 A40 L41 S42 | N32-D38 PolarHBondContact ND2-OD2 3.25Å; L36-D38 PolarHBondContact O-N 2.91Å; D38-A40 PolarHBondContact O-N 2.88Å; D38-A40 WeakPolarHBondContact OD1-CB 3.44Å; D38-A40 PolarHBondContact OD1-N 3.43Å; D38-L41 PolarHBondContact O-N 3.27Å; D38-L41 WeakPolarHBondContact OD1-CB 3.45Å; D38-L41 WeakPolarHBondContact OD1-CG 3.17Å; D38-L41 PolarHBondContact OD1-N 3.28Å; D38-S42 PolarHBondContact O-N 2.81Å; D38-S42 VanDerWaalsContact O-N 3.12Å | ||
| 39 | E | 85.6 | Confident | 87.7 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.3 | -36.3 | 176.6 | -68.6 | -69.1 | 143.2 | 0 | 0 | 111.8 | M1 L41 S42 S43 V60 | M1-E39 WeakPolarHBondContact CB-OE2 3.33Å; M1-E39 HydrophobicContact CE-CB 3.39Å; M1-E39 HydrophobicContact CE-CG 4.2Å; M1-E39 HydrophobicContact CG-CB 3.88Å; M1-E39 HydrophobicContact CG-CG 4.35Å; M1-E39 WeakPolarHBondContact CG-OE2 3.41Å; M1-E39 PolarHBondContact N-OE2 3.34Å; M1-E39 HydrophobicContact SD-CB 3.67Å; E39-L41 PolarHBondContact O-N 3.37Å; E39-S42 WeakPolarHBondContact O-CB 3.33Å; E39-S42 PolarHBondContact O-N 3.38Å; E39-S42 PolarHBondContact O-OG 2.81Å; E39-S43 PolarHBondContact O-N 3.05Å; E39-S43 PolarHBondContact O-OG 3.37Å; E39-V60 HydrophobicContact CG-CG1 4.06Å; E39-V60 WeakPolarHBondContact OE1-CG1 3.45Å; E39-V60 WeakPolarHBondContact OE1-CG2 3.46Å |
| 40 | A | 88 | Confident | 86.8 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | H28 D38 S42 S43 R273 F274 | H28-A40 PolarHBondContact CE1-O 3.33Å; D38-A40 PolarHBondContact O-N 2.88Å; D38-A40 WeakPolarHBondContact OD1-CB 3.44Å; D38-A40 PolarHBondContact OD1-N 3.43Å; A40-S42 VanDerWaalsContact C-N 3.29Å; A40-S43 PolarHBondContact O-OG 2.94Å; A40-R273 WeakPolarHBondContact CA-O 3.47Å; A40-R273 WeakPolarHBondContact CB-O 3.29Å; A40-F274 HydrophobicContact CB-CD1 4.03Å; A40-F274 HydrophobicContact CB-CE1 4Å |
| 41 | L | 90.1 | Very high | 85.9 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 173.8 | -82.8 | 167.1 | 0 | 0 | 0 | 111.4 | H28 Y37 D38 E39 S43 F44 F45 I64 L67 | H28-L41 HydrophobicContact CB-CD2 3.61Å; H28-L41 HydrophobicContact CB-CG 3.95Å; H28-L41 VanDerWaalsContact CG-CD2 3.47Å; Y37-L41 HydrophobicContact CD2-CB 4Å; Y37-L41 HydrophobicContact CE2-CB 4.06Å; D38-L41 PolarHBondContact O-N 3.27Å; D38-L41 WeakPolarHBondContact OD1-CB 3.45Å; D38-L41 WeakPolarHBondContact OD1-CG 3.17Å; D38-L41 PolarHBondContact OD1-N 3.28Å; E39-L41 PolarHBondContact O-N 3.37Å; L41-S43 PolarHBondContact O-N 2.89Å; L41-F44 PolarHBondContact O-N 2.84Å; L41-F45 HydrophobicContact CD2-CD2 3.79Å; L41-F45 HydrophobicContact CD2-CE2 4.17Å; L41-F45 HydrophobicContact CD2-CG 4.49Å; L41-F45 WeakPolarHBondContact O-CA 3.44Å; L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-F45 WeakPolarHBondContact O-CD2 3.47Å; L41-F45 PolarHBondContact O-N 3.21Å; L41-I64 HydrophobicContact CD1-CD1 3.69Å; L41-I64 HydrophobicContact CD1-CG1 4.44Å; L41-L67 HydrophobicContact CD2-CD1 4.45Å |
| 42 | S | 90.8 | Very high | 84.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -25.8 | -176.6 | 85.3 | 0 | 0 | 0 | 0 | 114 | Y37 D38 E39 A40 F44 F45 R70 | Y37-S42 WeakPolarHBondContact OH-CA 3.31Å; Y37-S42 WeakPolarHBondContact OH-CB 3.29Å; D38-S42 PolarHBondContact O-N 2.81Å; D38-S42 VanDerWaalsContact O-N 3.12Å; E39-S42 WeakPolarHBondContact O-CB 3.33Å; E39-S42 PolarHBondContact O-N 3.38Å; E39-S42 PolarHBondContact O-OG 2.81Å; A40-S42 VanDerWaalsContact C-N 3.29Å; S42-F44 VanDerWaalsContact C-N 3.27Å; S42-F44 PolarHBondContact O-N 3.21Å; S42-F45 CarbonylContact C-O 3.36Å; S42-F45 WeakPolarHBondContact CA-O 3.45Å; S42-F45 VanDerWaalsContact O-O 3.14Å; S42-R70 PolarHBondContact O-NE 2.92Å; S42-R70 VanDerWaalsContact O-NE 3.13Å |
| 43 | S | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -38.4 | 179.8 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | Q3 S4 E39 A40 L41 S272 | Q3-S43 WeakPolarHBondContact CA-O 3.37Å; S4-S43 PolarHBondContact N-O 2.95Å; E39-S43 PolarHBondContact O-N 3.05Å; E39-S43 PolarHBondContact O-OG 3.37Å; A40-S43 PolarHBondContact O-OG 2.94Å; L41-S43 PolarHBondContact O-N 2.89Å; S43-S272 PolarHBondContact OG-O 3.24Å |
| 44 | F | 93.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -14.9 | -177.8 | -71.8 | -74.8 | 0 | 0 | 0 | 114.5 | V6 F20 W21 L41 S42 R70 F142 T269 R273 | V6-F44 HydrophobicContact CG2-CD1 3.79Å; V6-F44 HydrophobicContact CG2-CE1 3.7Å; F20-F44 HydrophobicContact CE1-CD1 4.35Å; F20-F44 HydrophobicContact CZ-CD1 4.21Å; F20-F44 HydrophobicContact CZ-CD2 4.46Å; F20-F44 HydrophobicContact CZ-CE1 4.08Å; F20-F44 HydrophobicContact CZ-CE2 4.36Å; F20-F44 HydrophobicContact CZ-CG 4.4Å; F20-F44 HydrophobicContact CZ-CZ 4.19Å; W21-F44 HydrophobicContact CH2-CB 3.93Å; W21-F44 HydrophobicContact CH2-CD1 4.17Å; W21-F44 HydrophobicContact CH2-CG 4.47Å; W21-F44 HydrophobicContact CZ3-CB 3.68Å; W21-F44 HydrophobicContact CZ3-CG 4.46Å; L41-F44 PolarHBondContact O-N 2.84Å; S42-F44 VanDerWaalsContact C-N 3.27Å; S42-F44 PolarHBondContact O-N 3.21Å; F44-R70 WeakPolarHBondContact O-CB 3.33Å; F44-R70 WeakPolarHBondContact O-CG 3.38Å; F44-R70 PolarHBondContact O-N 2.9Å; F44-F142 HydrophobicContact CE1-CD2 4.18Å; F44-F142 HydrophobicContact CE1-CE2 4.26Å; F44-F142 HydrophobicContact CZ-CD2 4.45Å; F44-F142 HydrophobicContact CZ-CE2 4.08Å; F44-T269 HydrophobicContact CE2-CG2 3.89Å; F44-T269 HydrophobicContact CZ-CG2 3.46Å; F44-T269 VanDerWaalsContact CZ-CG2 3.46Å; F44-R273 HydrophobicContact CD2-CG 4.2Å; F44-R273 HydrophobicContact CE2-CG 4.04Å |
| 45 | F | 93.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 151.2 | -179.4 | -56.9 | -88 | 0 | 0 | 0 | 110.6 | W21 A24 L25 Y37 L41 S42 L67 K68 A69 V92 | W21-F45 HydrophobicContact CE3-CD1 4.45Å; W21-F45 AromaticContact CE3-CE1 3.53Å; W21-F45 HydrophobicContact CE3-CE1 3.53Å; W21-F45 HydrophobicContact CE3-CE2 4.31Å; W21-F45 AromaticContact CE3-CZ 3.45Å; W21-F45 HydrophobicContact CE3-CZ 3.45Å; W21-F45 VanDerWaalsContact CE3-CZ 3.45Å; W21-F45 HydrophobicContact CZ3-CD1 4.18Å; W21-F45 AromaticContact CZ3-CE1 3.67Å; W21-F45 HydrophobicContact CZ3-CE1 3.67Å; W21-F45 HydrophobicContact CZ3-CE2 4.15Å; W21-F45 AromaticContact CZ3-CZ 3.66Å; W21-F45 HydrophobicContact CZ3-CZ 3.66Å; A24-F45 HydrophobicContact CB-CE2 4.36Å; A24-F45 HydrophobicContact CB-CZ 4.36Å; L25-F45 HydrophobicContact CD1-CE1 4.43Å; L25-F45 HydrophobicContact CD1-CZ 4.49Å; L25-F45 HydrophobicContact CD2-CD1 4.36Å; L25-F45 HydrophobicContact CD2-CE1 3.72Å; L25-F45 HydrophobicContact CD2-CE2 4.04Å; L25-F45 HydrophobicContact CD2-CZ 3.53Å; L25-F45 HydrophobicContact CG-CE1 4.02Å; L25-F45 HydrophobicContact CG-CE2 4.47Å; L25-F45 HydrophobicContact CG-CZ 3.67Å; Y37-F45 PolarHBondContact OH-O 3.34Å; L41-F45 HydrophobicContact CD2-CD2 3.79Å; L41-F45 HydrophobicContact CD2-CE2 4.17Å; L41-F45 HydrophobicContact CD2-CG 4.49Å; L41-F45 WeakPolarHBondContact O-CA 3.44Å; L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-F45 WeakPolarHBondContact O-CD2 3.47Å; L41-F45 PolarHBondContact O-N 3.21Å; S42-F45 CarbonylContact C-O 3.36Å; S42-F45 WeakPolarHBondContact CA-O 3.45Å; S42-F45 VanDerWaalsContact O-O 3.14Å; F45-L67 HydrophobicContact CB-CD2 4.19Å; F45-L67 HydrophobicContact CD1-CB 4.37Å; F45-K68 CarbonylContact C-O 3.58Å; F45-K68 VanDerWaalsContact CA-O 3.29Å; F45-K68 WeakPolarHBondContact CA-O 3.3Å; F45-A69 HydrophobicContact CD1-CB 4.35Å; F45-A69 HydrophobicContact CE1-CB 4.34Å; F45-V92 HydrophobicContact CD1-CG1 4.18Å; F45-V92 HydrophobicContact CE1-CG1 3.78Å |
| 46 | R | 91.3 | Very high | 78.9 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.9 | 166.1 | 56.4 | -179.2 | -110.5 | 117.9 | 4.1 | 108.4 | V48 G55 L67 K68 H134 | R46-V48 HydrophobicContact CG-CG2 4.07Å; R46-V48 VanDerWaalsContact NE-CG2 3.34Å; R46-G55 PolarHBondContact NH2-O 3.19Å; R46-G55 VanDerWaalsContact NH2-O 3.13Å; R46-L67 CarbonylContact O-C 3.59Å; R46-L67 WeakPolarHBondContact O-CA 3.41Å; R46-K68 HydrophobicContact CG-CB 3.64Å; R46-K68 WeakPolarHBondContact CG-O 3.17Å; R46-K68 PolarHBondContact N-O 2.92Å; R46-K68 PolarHBondContact O-N 3.2Å; R46-H134 PolarHBondContact NH1-CD2 3.01Å |
| 47 | N | 89.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.8 | 172.8 | -172.4 | 21.7 | 0 | 0 | 0 | 109 | Y37 A57 C58 R63 Q65 L67 | Y37-N47 WeakPolarHBondContact CB-ND2 3.2Å; Y37-N47 HydrophobicContact CD1-CB 3.65Å; Y37-N47 HydrophobicContact CD2-CB 3.61Å; Y37-N47 HydrophobicContact CE1-CB 3.81Å; Y37-N47 HydrophobicContact CE2-CB 3.75Å; Y37-N47 HydrophobicContact CG-CB 3.54Å; N47-A57 CarbonylContact O-C 3.55Å; N47-A57 VanDerWaalsContact O-CA 3.27Å; N47-A57 WeakPolarHBondContact O-CA 3.4Å; N47-C58 HydrophobicContact CB-CB 4.07Å; N47-C58 WeakPolarHBondContact ND2-CB 3.2Å; N47-C58 PolarHBondContact O-N 2.85Å; N47-R63 PolarHBondContact ND2-O 2.95Å; N47-Q65 PolarHBondContact OD1-N 3.37Å; N47-L67 HydrophobicContact CB-CD2 4.19Å |
| 48 | V | 86.8 | Confident | 76.5 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.6 | -172.6 | -174.5 | 0 | 0 | 0 | 0 | 110 | R46 P50 H66 K68 | R46-V48 HydrophobicContact CG-CG2 4.07Å; R46-V48 VanDerWaalsContact NE-CG2 3.34Å; V48-P50 WeakPolarHBondContact O-CD 3.43Å; V48-H66 HydrophobicContact CB-CB 4.46Å; V48-H66 PolarHBondContact N-O 2.9Å; V48-K68 HydrophobicContact CG2-CB 4.25Å; V48-K68 HydrophobicContact CG2-CG 3.79Å |
| 49 | D | 77.8 | Confident | 75.6 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | trans | -89.9 | 112.1 | 170 | -168.2 | -20 | 0 | 0 | 0 | 110.2 | R51 K52 G56 | D49-R51 PolarHBondContact O-N 3.46Å; D49-R51 VanDerWaalsContact OD1-CB 3.26Å; D49-R51 WeakPolarHBondContact OD1-CB 3.46Å; D49-R51 PolarHBondContact OD1-N 2.9Å; D49-K52 HydrophobicContact CB-CD 4.37Å; D49-K52 HydrophobicContact CB-CG 4.31Å; D49-K52 PolarHBondContact O-N 3.23Å; D49-G56 PolarHBondContact N-O 2.97Å | ||
| 50 | P | 67.8 | Low | 75.2 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.3 | 179.9 | 31.6 | -36.9 | 0 | 0 | 0 | 112.7 | V48 | V48-P50 WeakPolarHBondContact O-CD 3.43Š|
| 51 | R | 67.8 | Low | 74.7 | Confident | 216 Ų | 216 | 54.4 Ų | 54.4 | 82% | 0.815 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -14.2 | -179.4 | -56.5 | 176 | -176.8 | 174.8 | 1 | 112.6 | D49 | D49-R51 PolarHBondContact O-N 3.46Å; D49-R51 VanDerWaalsContact OD1-CB 3.26Å; D49-R51 WeakPolarHBondContact OD1-CB 3.46Å; D49-R51 PolarHBondContact OD1-N 2.9Å |
| 52 | K | 66.4 | Low | 74.2 | Confident | 120 Ų | 120 | 55.5 Ų | 55.5 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -92.4 | 125.6 | 173 | -68.2 | -175.8 | -178.9 | 179.7 | 0 | 108.8 | D49 D54 G55 | D49-K52 HydrophobicContact CB-CD 4.37Å; D49-K52 HydrophobicContact CB-CG 4.31Å; D49-K52 PolarHBondContact O-N 3.23Å; K52-D54 PolarHBondContact O-N 3.21Å; K52-G55 PolarHBondContact O-N 3.06Å |
| 53 | S | 48.2 | Very low | 73.8 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 94% | 0.937 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -24.1 | -175.2 | -42.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 54 | D | 53.2 | Low | 73.4 | Confident | 163 Ų | 163 | 67.8 Ų | 67.8 | 87% | 0.872 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.2 | 177.2 | -99.7 | 1.2 | 0 | 0 | 0 | 114.5 | K52 G56 | K52-D54 PolarHBondContact O-N 3.21Å; D54-G56 PolarHBondContact O-N 3.13Å |
| 55 | G | 53.6 | Low | 72.8 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | trans | 59.2 | 35.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R46 K52 | R46-G55 PolarHBondContact NH2-O 3.19Å; R46-G55 VanDerWaalsContact NH2-O 3.13Å; K52-G55 PolarHBondContact O-N 3.06Å | ||
| 56 | G | 57.3 | Low | 72.5 | Confident | 28 Ų | 28 | 76 Ų | 76 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 139.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D49 D54 C58 | D49-G56 PolarHBondContact N-O 2.97Å; D54-G56 PolarHBondContact O-N 3.13Å; G56-C58 PolarHBondContact O-N 3.39Å |
| 57 | A | 62.1 | Low | 72.4 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 132.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N47 | N47-A57 CarbonylContact O-C 3.55Å; N47-A57 VanDerWaalsContact O-CA 3.27Å; N47-A57 WeakPolarHBondContact O-CA 3.4Å |
| 58 | C | 63.6 | Low | 72.6 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 14% | 0.142 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 136.6 | 168.8 | -79.5 | 0 | 0 | 0 | 0 | 109.8 | N47 G56 | N47-C58 HydrophobicContact CB-CB 4.07Å; N47-C58 WeakPolarHBondContact ND2-CB 3.2Å; N47-C58 PolarHBondContact O-N 2.85Å; G56-C58 PolarHBondContact O-N 3.39Å |
| 59 | C | 69.6 | Low | 73 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 72% | 0.723 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 149.5 | 176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | G62 | C59-G62 PolarHBondContact O-N 3.41Š|
| 60 | V | 78.6 | Confident | 73.9 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 39% | 0.394 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 139 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | Y37 E39 | Y37-V60 HydrophobicContact CD1-CG2 4.31Å; Y37-V60 HydrophobicContact CE1-CG2 4.07Å; E39-V60 HydrophobicContact CG-CG1 4.06Å; E39-V60 WeakPolarHBondContact OE1-CG1 3.45Å; E39-V60 WeakPolarHBondContact OE1-CG2 3.46Å |
| 61 | G | 76.8 | Confident | 75.2 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -11.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y37 | Y37-G61 PolarHBondContact O-N 3.28Š|
| 62 | G | 79.9 | Confident | 76.7 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -72.5 | 169 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L36 Y37 C59 | L36-G62 CarbonylContact C-O 3.58Å; L36-G62 WeakPolarHBondContact CA-O 3.12Å; Y37-G62 PolarHBondContact N-O 2.86Å; C59-G62 PolarHBondContact O-N 3.41Å |
| 63 | R | 82.6 | Confident | 78.2 | Confident | 201 Ų | 201 | 57.6 Ų | 57.6 | 76% | 0.758 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -69.8 | 144.6 | 169.4 | -70.9 | -172 | -178.6 | -165 | 0.7 | 110.3 | L36 N47 Q65 | L36-R63 HydrophobicContact CD2-CG 4.31Å; N47-R63 PolarHBondContact ND2-O 2.95Å; R63-Q65 PolarHBondContact O-N 3.5Å |
| 64 | I | 82.3 | Confident | 80.5 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 127.9 | 170.6 | -62.2 | 170.1 | 0 | 0 | 0 | 108.4 | G35 L41 L67 | G35-I64 WeakPolarHBondContact O-CG1 3.48Å; G35-I64 PolarHBondContact O-N 3.04Å; G35-I64 VanDerWaalsContact O-N 3.14Å; L41-I64 HydrophobicContact CD1-CD1 3.69Å; L41-I64 HydrophobicContact CD1-CG1 4.44Å; I64-L67 HydrophobicContact CG2-CD1 3.87Å; I64-L67 HydrophobicContact CG2-CD2 3.99Å; I64-L67 HydrophobicContact CG2-CG 3.66Å |
| 65 | Q | 80.9 | Confident | 82.5 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | trans | -116.7 | -76.9 | 178 | -62.3 | -178.7 | 10.4 | 0 | 0 | 110.1 | N47 R63 | N47-Q65 PolarHBondContact OD1-N 3.37Å; R63-Q65 PolarHBondContact O-N 3.5Å | ||
| 66 | H | 86.1 | Confident | 84.5 | Confident | 90 Ų | 90 | 42.7 Ų | 42.7 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 101 | 178.6 | -66.5 | -81.7 | 0 | 0 | 0 | 109.5 | V48 | V48-H66 HydrophobicContact CB-CB 4.46Å; V48-H66 PolarHBondContact N-O 2.9Å |
| 67 | L | 90.5 | Very high | 86 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.6 | 175.6 | -65 | 177 | 0 | 0 | 0 | 109.7 | L25 Y37 L41 F45 R46 N47 I64 V92 | L25-L67 HydrophobicContact CD2-CD1 3.99Å; Y37-L67 HydrophobicContact CD2-CD2 4.04Å; Y37-L67 HydrophobicContact CE2-CD2 4.21Å; L41-L67 HydrophobicContact CD2-CD1 4.45Å; F45-L67 HydrophobicContact CB-CD2 4.19Å; F45-L67 HydrophobicContact CD1-CB 4.37Å; R46-L67 CarbonylContact O-C 3.59Å; R46-L67 WeakPolarHBondContact O-CA 3.41Å; N47-L67 HydrophobicContact CB-CD2 4.19Å; I64-L67 HydrophobicContact CG2-CD1 3.87Å; I64-L67 HydrophobicContact CG2-CD2 3.99Å; I64-L67 HydrophobicContact CG2-CG 3.66Å; L67-V92 WeakPolarHBondContact O-CA 3.43Å |
| 68 | K | 93.3 | Very high | 87 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.2 | 163.4 | -62.4 | -63.8 | -168.8 | -179.3 | 0 | 110.1 | F45 R46 V48 E91 V92 F93 | F45-K68 CarbonylContact C-O 3.58Å; F45-K68 VanDerWaalsContact CA-O 3.29Å; F45-K68 WeakPolarHBondContact CA-O 3.3Å; R46-K68 HydrophobicContact CG-CB 3.64Å; R46-K68 WeakPolarHBondContact CG-O 3.17Å; R46-K68 PolarHBondContact N-O 2.92Å; R46-K68 PolarHBondContact O-N 3.2Å; V48-K68 HydrophobicContact CG2-CB 4.25Å; V48-K68 HydrophobicContact CG2-CG 3.79Å; K68-E91 WeakPolarHBondContact CD-O 3.46Å; K68-E91 WeakPolarHBondContact CE-O 3.27Å; K68-E91 PolarHBondContact NZ-O 3.09Å; K68-V92 CarbonylContact C-O 3.14Å; K68-V92 WeakPolarHBondContact CA-O 3.37Å; K68-F93 PolarHBondContact NZ-O 2.77Å |
| 69 | A | 94.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | W21 F45 A71 V92 F93 | W21-A69 HydrophobicContact CD2-CB 4Å; W21-A69 HydrophobicContact CE3-CB 3.79Å; W21-A69 HydrophobicContact CH2-CB 3.61Å; W21-A69 HydrophobicContact CZ2-CB 3.82Å; W21-A69 HydrophobicContact CZ3-CB 3.55Å; F45-A69 HydrophobicContact CD1-CB 4.35Å; F45-A69 HydrophobicContact CE1-CB 4.34Å; A69-A71 HydrophobicContact CB-CB 4Å; A69-A71 PolarHBondContact O-N 3.11Å; A69-V92 HydrophobicContact CB-CG1 3.71Å; A69-V92 PolarHBondContact N-O 3.39Å; A69-F93 HydrophobicContact CB-CD1 4.34Å; A69-F93 HydrophobicContact CB-CE1 4.33Å |
| 70 | R | 95.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -78.4 | 68.5 | 166.5 | -62 | 175 | -171 | -73.5 | -0.2 | 108.2 | S4 V5 V6 S42 F44 H134 C135 | S4-R70 WeakPolarHBondContact O-CB 3.49Å; V5-R70 WeakPolarHBondContact CA-O 3.47Å; V5-R70 HydrophobicContact CG2-CB 4.44Å; V6-R70 PolarHBondContact N-O 3.1Å; S42-R70 PolarHBondContact O-NE 2.92Å; S42-R70 VanDerWaalsContact O-NE 3.13Å; F44-R70 WeakPolarHBondContact O-CB 3.33Å; F44-R70 WeakPolarHBondContact O-CG 3.38Å; F44-R70 PolarHBondContact O-N 2.9Å; R70-H134 PolarHBondContact NH1-O 3.19Å; R70-C135 PolarHBondContact NH1-SG 3.4Å; R70-C135 VanDerWaalsContact NH1-SG 3.37Å |
| 71 | A | 96.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | V6 W21 A69 L73 F93 Q97 | V6-A71 CarbonylContact O-C 3.6Å; V6-A71 VanDerWaalsContact O-CA 3.22Å; V6-A71 WeakPolarHBondContact O-CA 3.48Å; W21-A71 HydrophobicContact CH2-CB 4.41Å; W21-A71 HydrophobicContact CZ2-CB 3.51Å; A69-A71 HydrophobicContact CB-CB 4Å; A69-A71 PolarHBondContact O-N 3.11Å; A71-L73 HydrophobicContact CB-CD1 3.63Å; A71-F93 HydrophobicContact CB-CD1 4.2Å; A71-F93 HydrophobicContact CB-CE1 4.12Å; A71-Q97 VanDerWaalsContact O-CB 3.31Å; A71-Q97 WeakPolarHBondContact O-CB 3.45Å |
| 72 | V | 98 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.6 | 165.6 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | V5 V6 V7 Q8 I74 K127 L128 A131 | V5-V72 HydrophobicContact CG1-CG2 4.48Å; V6-V72 PolarHBondContact O-N 3.4Å; V7-V72 WeakPolarHBondContact CA-O 3.29Å; V7-V72 HydrophobicContact CG1-CB 4.37Å; V7-V72 HydrophobicContact CG2-CB 4.48Å; Q8-V72 PolarHBondContact N-O 2.9Å; V72-I74 HydrophobicContact CG1-CD1 4.16Å; V72-I74 HydrophobicContact CG1-CG1 4.03Å; V72-K127 HydrophobicContact CG1-CB 4.1Å; V72-L128 HydrophobicContact CG2-CD2 4.27Å; V72-A131 HydrophobicContact CG2-CB 3.8Å |
| 73 | L | 97.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.1 | -177.6 | -73.8 | 67.9 | 0 | 0 | 0 | 108.4 | Q8 A71 I84 F93 Q97 L98 L99 | Q8-L73 HydrophobicContact CB-CG 4.48Å; A71-L73 HydrophobicContact CB-CD1 3.63Å; L73-I84 HydrophobicContact CD2-CD1 4.15Å; L73-F93 HydrophobicContact CD1-CD1 3.63Å; L73-F93 HydrophobicContact CD1-CE1 3.82Å; L73-F93 HydrophobicContact CD2-CD1 4.13Å; L73-F93 HydrophobicContact CD2-CE1 4.21Å; L73-F93 HydrophobicContact CD2-CG 4.48Å; L73-Q97 PolarHBondContact N-O 3.21Å; L73-Q97 VanDerWaalsContact N-O 3.07Å; L73-L98 HydrophobicContact CB-CD2 3.7Å; L73-L98 HydrophobicContact CD1-CD2 4.21Å; L73-L98 HydrophobicContact CD2-CD2 3.91Å; L73-L98 HydrophobicContact CG-CD2 4.15Å; L73-L98 CarbonylContact O-C 3.54Å; L73-L98 WeakPolarHBondContact O-CA 3.32Å; L73-L99 PolarHBondContact O-N 2.89Å |
| 74 | I | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.1 | -177 | -56.6 | 173.4 | 0 | 0 | 0 | 107.7 | V7 Q8 V9 G10 N14 V72 M76 L99 I124 L155 V159 | V7-I74 HydrophobicContact CG1-CD1 4.25Å; Q8-I74 PolarHBondContact O-N 3.23Å; V9-I74 CarbonylContact C-O 3.46Å; V9-I74 WeakPolarHBondContact CA-O 3.33Å; V9-I74 HydrophobicContact CG1-CB 4.29Å; V9-I74 HydrophobicContact CG1-CG2 4.27Å; V9-I74 HydrophobicContact CG2-CB 4.29Å; V9-I74 HydrophobicContact CG2-CD1 4.33Å; G10-I74 PolarHBondContact N-O 3.36Å; N14-I74 PolarHBondContact ND2-O 3.49Å; N14-I74 VanDerWaalsContact ND2-O 3.12Å; V72-I74 HydrophobicContact CG1-CD1 4.16Å; V72-I74 HydrophobicContact CG1-CG1 4.03Å; I74-M76 HydrophobicContact CG2-CE 4.01Å; I74-L99 WeakPolarHBondContact CA-O 3.29Å; I74-L99 HydrophobicContact CG1-CB 4.19Å; I74-L99 HydrophobicContact CG1-CD2 4.44Å; I74-L99 HydrophobicContact CG2-CB 4.42Å; I74-L99 HydrophobicContact CG2-CD2 4.06Å; I74-L99 HydrophobicContact CG2-CG 4.4Å; I74-I124 HydrophobicContact CD1-CG1 4.29Å; I74-I124 HydrophobicContact CD1-CG2 4.33Å; I74-L155 HydrophobicContact CG2-CD2 3.46Å; I74-L155 VanDerWaalsContact CG2-CD2 3.46Å; I74-L155 HydrophobicContact CG2-CG 4.29Å; I74-V159 HydrophobicContact CD1-CG2 3.77Å |
| 75 | D | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 130.7 | 173 | -145.9 | -26.5 | 0 | 0 | 0 | 110.9 | G10 Q11 N14 E77 V81 L99 T100 D101 | G10-D75 WeakPolarHBondContact CA-OD1 3.4Å; Q11-D75 WeakPolarHBondContact CA-OD2 3.39Å; Q11-D75 PolarHBondContact N-OD2 3.03Å; Q11-D75 VanDerWaalsContact N-OD2 3.09Å; N14-D75 WeakPolarHBondContact ND2-CB 3.37Å; N14-D75 PolarHBondContact ND2-OD2 3.24Å; D75-E77 WeakPolarHBondContact CB-O 3.32Å; D75-E77 VanDerWaalsContact CG-O 3.31Å; D75-E77 PolarHBondContact O-N 3.11Å; D75-E77 PolarHBondContact OD1-N 3.33Å; D75-V81 HydrophobicContact CB-CG2 3.82Å; D75-L99 PolarHBondContact N-O 3.35Å; D75-T100 WeakPolarHBondContact O-CA 3.14Å; D75-D101 PolarHBondContact O-N 3.4Å |
| 76 | M | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -85.2 | 10.6 | 175.7 | -58.8 | -64.2 | 102.9 | 0 | 0 | 111.3 | I74 L99 D101 G104 Y116 Y120 T151 L155 | I74-M76 HydrophobicContact CG2-CE 4.01Å; M76-L99 HydrophobicContact CE-CD2 4.4Å; M76-L99 HydrophobicContact CE-CG 4.06Å; M76-D101 CarbonylContact C-O 3.05Å; M76-D101 HydrophobicContact CE-CB 4.49Å; M76-D101 CarbonylContact O-C 3.48Å; M76-D101 HydrophobicContact SD-CB 3.88Å; M76-G104 WeakPolarHBondContact O-CA 3.31Å; M76-G104 PolarHBondContact O-N 2.97Å; M76-Y116 HydrophobicContact CB-CD2 4.25Å; M76-Y116 HydrophobicContact CB-CE2 4.14Å; M76-Y116 HydrophobicContact CG-CD2 3.64Å; M76-Y116 HydrophobicContact CG-CE2 4.02Å; M76-Y116 HydrophobicContact CG-CG 4.08Å; M76-Y116 HydrophobicContact SD-CD1 4.32Å; M76-Y116 HydrophobicContact SD-CD2 4.15Å; M76-Y116 HydrophobicContact SD-CG 3.99Å; M76-Y120 HydrophobicContact SD-CD2 4Å; M76-Y120 HydrophobicContact SD-CE2 3.78Å; M76-T151 HydrophobicContact CB-CG2 4.16Å; M76-T151 HydrophobicContact CG-CG2 3.88Å; M76-L155 HydrophobicContact CE-CD2 3.83Å; M76-L155 HydrophobicContact CG-CD2 3.96Å; M76-L155 HydrophobicContact SD-CD2 4.18Å |
| 77 | E | 89 | Confident | 91 | Very high | 79 Ų | 79 | 34.2 Ų | 34.2 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -132.1 | 123.1 | 172 | -63.2 | 177.1 | -169.5 | 0 | 0 | 109.3 | D75 G79 D101 | D75-E77 WeakPolarHBondContact CB-O 3.32Å; D75-E77 VanDerWaalsContact CG-O 3.31Å; D75-E77 PolarHBondContact O-N 3.11Å; D75-E77 PolarHBondContact OD1-N 3.33Å; E77-G79 VanDerWaalsContact C-N 3.27Å; E77-G79 PolarHBondContact O-N 3.48Å; E77-D101 WeakPolarHBondContact CA-O 3.29Å; E77-D101 PolarHBondContact N-O 2.99Å |
| 78 | E | 83.6 | Confident | 90.7 | Very high | 91 Ų | 91 | 36.5 Ų | 36.5 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.3 | -18.7 | -172.8 | -59.2 | -169.9 | 153.6 | 0 | 0 | 114.3 | V80 V81 H82 D101 V102 | E78-V80 PolarHBondContact O-N 2.86Å; E78-V81 PolarHBondContact O-N 3.49Å; E78-H82 WeakPolarHBondContact O-CB 3.3Å; E78-H82 PolarHBondContact O-N 3.07Å; E78-D101 WeakPolarHBondContact CG-O 3.34Å; E78-D101 PolarHBondContact N-O 2.91Å; E78-V102 VanDerWaalsContact CD-CG1 3.5Å; E78-V102 HydrophobicContact CG-CG1 3.92Å |
| 79 | G | 86.4 | Confident | 90.5 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 62% | 0.619 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -56.3 | -46.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E77 G83 | E77-G79 VanDerWaalsContact C-N 3.27Å; E77-G79 PolarHBondContact O-N 3.48Å; G79-G83 PolarHBondContact O-N 3.18Å; G79-G83 VanDerWaalsContact O-N 3.13Å |
| 80 | V | 85.9 | Confident | 90.2 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.9 | -48.6 | -179 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | Q11 N14 Q15 E78 H82 G83 I84 | Q11-V80 HydrophobicContact CB-CG2 4.14Å; Q11-V80 HydrophobicContact CG-CG2 3.77Å; N14-V80 HydrophobicContact CB-CB 4.49Å; N14-V80 HydrophobicContact CB-CG1 3.69Å; Q15-V80 HydrophobicContact CG-CG1 3.88Å; Q15-V80 HydrophobicContact CG-CG2 4.33Å; E78-V80 PolarHBondContact O-N 2.86Å; V80-H82 VanDerWaalsContact C-N 3.34Å; V80-H82 PolarHBondContact O-N 2.96Å; V80-G83 PolarHBondContact O-N 2.83Å; V80-G83 VanDerWaalsContact O-N 3.15Å; V80-I84 HydrophobicContact CG1-CD1 4.21Å; V80-I84 WeakPolarHBondContact O-CG1 3.35Å; V80-I84 PolarHBondContact O-N 3.29Å |
| 81 | V | 88.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | -177 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | D75 E78 G83 I84 L85 L98 T100 | D75-V81 HydrophobicContact CB-CG2 3.82Å; E78-V81 PolarHBondContact O-N 3.49Å; V81-G83 VanDerWaalsContact C-N 3.32Å; V81-G83 PolarHBondContact O-N 3.4Å; V81-I84 WeakPolarHBondContact O-CB 3.47Å; V81-I84 PolarHBondContact O-N 3.41Å; V81-I84 VanDerWaalsContact O-N 3.07Å; V81-L85 HydrophobicContact CG1-CD1 4.48Å; V81-L85 WeakPolarHBondContact O-CG 3.34Å; V81-L85 PolarHBondContact O-N 3.42Å; V81-L98 HydrophobicContact CG1-CD1 4.26Å; V81-L98 HydrophobicContact CG1-CD2 4.27Å; V81-T100 HydrophobicContact CB-CG2 3.79Å; V81-T100 HydrophobicContact CG1-CG2 3.81Å; V81-T100 HydrophobicContact CG2-CG2 3.83Å |
| 82 | H | 88.9 | Confident | 89.6 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 174 | -176.5 | -112.2 | 0 | 0 | 0 | 111.8 | E78 V80 I84 L85 Q86 | E78-H82 WeakPolarHBondContact O-CB 3.3Å; E78-H82 PolarHBondContact O-N 3.07Å; V80-H82 VanDerWaalsContact C-N 3.34Å; V80-H82 PolarHBondContact O-N 2.96Å; H82-I84 VanDerWaalsContact C-N 3.29Å; H82-I84 PolarHBondContact O-N 3.16Å; H82-L85 PolarHBondContact O-N 3.27Å; H82-L85 VanDerWaalsContact O-N 3.14Å; H82-Q86 PolarHBondContact CE1-NE2 3.26Å; H82-Q86 PolarHBondContact NE2-NE2 2.83Å; H82-Q86 WeakPolarHBondContact O-CG 3.44Å; H82-Q86 PolarHBondContact O-N 3.47Å |
| 83 | G | 87.2 | Confident | 89.4 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G79 V80 V81 G87 | G79-G83 PolarHBondContact O-N 3.18Å; G79-G83 VanDerWaalsContact O-N 3.13Å; V80-G83 PolarHBondContact O-N 2.83Å; V80-G83 VanDerWaalsContact O-N 3.15Å; V81-G83 VanDerWaalsContact C-N 3.32Å; V81-G83 PolarHBondContact O-N 3.4Å; G83-G87 PolarHBondContact O-N 3.14Å; G83-G87 VanDerWaalsContact O-N 3.11Å |
| 84 | I | 87.2 | Confident | 89 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 173.4 | -66.1 | 168.3 | 0 | 0 | 0 | 110.7 | N14 C18 L73 V80 V81 H82 Q86 G87 F93 | N14-I84 HydrophobicContact CB-CD1 4.38Å; C18-I84 HydrophobicContact CB-CD1 4.05Å; C18-I84 HydrophobicContact CB-CG1 4.18Å; L73-I84 HydrophobicContact CD2-CD1 4.15Å; V80-I84 HydrophobicContact CG1-CD1 4.21Å; V80-I84 WeakPolarHBondContact O-CG1 3.35Å; V80-I84 PolarHBondContact O-N 3.29Å; V81-I84 WeakPolarHBondContact O-CB 3.47Å; V81-I84 PolarHBondContact O-N 3.41Å; V81-I84 VanDerWaalsContact O-N 3.07Å; H82-I84 VanDerWaalsContact C-N 3.29Å; H82-I84 PolarHBondContact O-N 3.16Å; I84-Q86 VanDerWaalsContact C-N 3.34Å; I84-G87 WeakPolarHBondContact O-CA 3.37Å; I84-G87 PolarHBondContact O-N 3.06Å; I84-G87 VanDerWaalsContact O-N 3.07Å; I84-F93 HydrophobicContact CG2-CD2 3.46Å; I84-F93 VanDerWaalsContact CG2-CD2 3.46Å; I84-F93 HydrophobicContact CG2-CE2 3.32Å; I84-F93 HydrophobicContact CG2-CG 4.47Å; I84-F93 HydrophobicContact CG2-CZ 4.25Å |
| 85 | L | 88.1 | Confident | 88.6 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.6 | -25 | 179.5 | -67 | 179.9 | 0 | 0 | 0 | 114.2 | V81 H82 G87 R90 L98 | V81-L85 HydrophobicContact CG1-CD1 4.48Å; V81-L85 WeakPolarHBondContact O-CG 3.34Å; V81-L85 PolarHBondContact O-N 3.42Å; H82-L85 PolarHBondContact O-N 3.27Å; H82-L85 VanDerWaalsContact O-N 3.14Å; L85-G87 VanDerWaalsContact C-N 3.32Å; L85-R90 WeakPolarHBondContact O-CB 3.45Å; L85-L98 HydrophobicContact CD1-CD1 3.75Å; L85-L98 HydrophobicContact CD2-CD1 3.85Å; L85-L98 HydrophobicContact CG-CD1 4.2Å |
| 86 | Q | 87.9 | Confident | 88.4 | Confident | 138 Ų | 138 | 55 Ų | 55 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -83.3 | -15.8 | 169.1 | -67.3 | -172.6 | -22.2 | 0 | 0 | 112.5 | H82 I84 | H82-Q86 PolarHBondContact CE1-NE2 3.26Å; H82-Q86 PolarHBondContact NE2-NE2 2.83Å; H82-Q86 WeakPolarHBondContact O-CG 3.44Å; H82-Q86 PolarHBondContact O-N 3.47Å; I84-Q86 VanDerWaalsContact C-N 3.34Å |
| 87 | G | 85.3 | Confident | 88.4 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -81.8 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G83 I84 L85 L89 R90 | G83-G87 PolarHBondContact O-N 3.14Å; G83-G87 VanDerWaalsContact O-N 3.11Å; I84-G87 WeakPolarHBondContact O-CA 3.37Å; I84-G87 PolarHBondContact O-N 3.06Å; I84-G87 VanDerWaalsContact O-N 3.07Å; L85-G87 VanDerWaalsContact C-N 3.32Å; G87-L89 VanDerWaalsContact C-N 3.28Å; G87-L89 PolarHBondContact O-N 3.42Å; G87-R90 WeakPolarHBondContact O-CB 3.32Å; G87-R90 PolarHBondContact O-N 2.92Å |
| 88 | P | 84.3 | Confident | 88.7 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -63.4 | -30 | 179.5 | 30 | -42.8 | 0 | 0 | 0 | 114.9 | R90 V247 | P88-R90 PolarHBondContact O-N 2.84Å; P88-V247 HydrophobicContact CB-CB 3.35Å; P88-V247 HydrophobicContact CB-CG1 3.61Å; P88-V247 HydrophobicContact CB-CG2 3.29Å; P88-V247 HydrophobicContact CG-CB 3.43Å; P88-V247 VanDerWaalsContact CG-CB 3.43Å; P88-V247 HydrophobicContact CG-CG1 4.2Å; P88-V247 HydrophobicContact CG-CG2 3.52Å |
| 89 | L | 87.7 | Confident | 89.2 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -86.2 | 4 | -174.2 | -63.9 | -178.7 | 0 | 0 | 0 | 112.2 | W21 D22 L25 G87 E91 V92 F93 | W21-L89 HydrophobicContact CB-CD1 4.09Å; D22-L89 HydrophobicContact CB-CD1 4.12Å; L25-L89 HydrophobicContact CD1-CD2 3.81Å; G87-L89 VanDerWaalsContact C-N 3.28Å; G87-L89 PolarHBondContact O-N 3.42Å; L89-E91 PolarHBondContact O-N 2.85Å; L89-E91 VanDerWaalsContact O-N 3.08Å; L89-V92 HydrophobicContact CD2-CG2 4.29Å; L89-V92 VanDerWaalsContact O-CB 3.3Å; L89-V92 WeakPolarHBondContact O-CB 3.39Å; L89-V92 PolarHBondContact O-N 3.12Å; L89-F93 HydrophobicContact CB-CD2 4.24Å; L89-F93 HydrophobicContact CB-CE2 3.71Å; L89-F93 HydrophobicContact CD1-CE2 4.3Å; L89-F93 VanDerWaalsContact O-CD2 3.27Å; L89-F93 WeakPolarHBondContact O-CD2 3.22Å; L89-F93 PolarHBondContact O-N 3.08Å |
| 90 | R | 89.6 | Confident | 89.5 | Confident | 139 Ų | 139 | 48.5 Ų | 48.5 | 53% | 0.525 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -52.3 | -37.2 | -176.6 | 74.8 | -174.3 | -175.1 | -174.1 | -1.3 | 113.4 | L85 G87 P88 V92 | L85-R90 WeakPolarHBondContact O-CB 3.45Å; G87-R90 WeakPolarHBondContact O-CB 3.32Å; G87-R90 PolarHBondContact O-N 2.92Å; P88-R90 PolarHBondContact O-N 2.84Å; R90-V92 VanDerWaalsContact C-N 3.29Å; R90-V92 PolarHBondContact O-N 2.85Å |
| 91 | E | 88.3 | Confident | 89.7 | Confident | 112 Ų | 112 | 48.6 Ų | 48.6 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -77.7 | -20.2 | -176.6 | -63 | -176 | -170 | 0 | 0 | 111.9 | K68 L89 | K68-E91 WeakPolarHBondContact CD-O 3.46Å; K68-E91 WeakPolarHBondContact CE-O 3.27Å; K68-E91 PolarHBondContact NZ-O 3.09Å; L89-E91 PolarHBondContact O-N 2.85Å; L89-E91 VanDerWaalsContact O-N 3.08Å |
| 92 | V | 91.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -33.3 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L25 F45 L67 K68 A69 L89 R90 | L25-V92 HydrophobicContact CD1-CG2 4.01Å; F45-V92 HydrophobicContact CD1-CG1 4.18Å; F45-V92 HydrophobicContact CE1-CG1 3.78Å; L67-V92 WeakPolarHBondContact O-CA 3.43Å; K68-V92 CarbonylContact C-O 3.14Å; K68-V92 WeakPolarHBondContact CA-O 3.37Å; A69-V92 HydrophobicContact CB-CG1 3.71Å; A69-V92 PolarHBondContact N-O 3.39Å; L89-V92 HydrophobicContact CD2-CG2 4.29Å; L89-V92 VanDerWaalsContact O-CB 3.3Å; L89-V92 WeakPolarHBondContact O-CB 3.39Å; L89-V92 PolarHBondContact O-N 3.12Å; R90-V92 VanDerWaalsContact C-N 3.29Å; R90-V92 PolarHBondContact O-N 2.85Å |
| 93 | F | 92.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -84.1 | 143.1 | 179 | -62.2 | -72.8 | 0 | 0 | 0 | 111.7 | W21 K68 A69 A71 L73 I84 L89 | W21-F93 HydrophobicContact CB-CZ 4.15Å; W21-F93 AromaticContact CD1-CE1 3.46Å; W21-F93 VanDerWaalsContact CD1-CE1 3.46Å; W21-F93 AromaticContact CD1-CZ 3.35Å; W21-F93 HydrophobicContact CD2-CE1 4.45Å; W21-F93 HydrophobicContact CG-CE1 4.04Å; W21-F93 AromaticContact CG-CZ 3.8Å; W21-F93 HydrophobicContact CG-CZ 3.8Å; W21-F93 AromaticContact NE1-CE1 3.55Å; W21-F93 AromaticContact NE1-CZ 3.96Å; K68-F93 PolarHBondContact NZ-O 2.77Å; A69-F93 HydrophobicContact CB-CD1 4.34Å; A69-F93 HydrophobicContact CB-CE1 4.33Å; A71-F93 HydrophobicContact CB-CD1 4.2Å; A71-F93 HydrophobicContact CB-CE1 4.12Å; L73-F93 HydrophobicContact CD1-CD1 3.63Å; L73-F93 HydrophobicContact CD1-CE1 3.82Å; L73-F93 HydrophobicContact CD2-CD1 4.13Å; L73-F93 HydrophobicContact CD2-CE1 4.21Å; L73-F93 HydrophobicContact CD2-CG 4.48Å; I84-F93 HydrophobicContact CG2-CD2 3.46Å; I84-F93 VanDerWaalsContact CG2-CD2 3.46Å; I84-F93 HydrophobicContact CG2-CE2 3.32Å; I84-F93 HydrophobicContact CG2-CG 4.47Å; I84-F93 HydrophobicContact CG2-CZ 4.25Å; L89-F93 HydrophobicContact CB-CD2 4.24Å; L89-F93 HydrophobicContact CB-CE2 3.71Å; L89-F93 HydrophobicContact CD1-CE2 4.3Å; L89-F93 VanDerWaalsContact O-CD2 3.27Å; L89-F93 WeakPolarHBondContact O-CD2 3.22Å; L89-F93 PolarHBondContact O-N 3.08Å |
| 94 | D | 90.5 | Very high | 89 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.15 | 29% | 0.289 | C | S | . | . | trans | -88.8 | 120.4 | 171.9 | -176 | -16.5 | 0 | 0 | 0 | 108.4 | T96 Q97 | D94-T96 PolarHBondContact O-N 3.26Å; D94-T96 WeakPolarHBondContact OD1-CB 3.26Å; D94-T96 PolarHBondContact OD1-N 3.05Å; D94-T96 PolarHBondContact OD1-OG1 3.06Å; D94-T96 PolarHBondContact OD2-OG1 3.46Å; D94-T96 VanDerWaalsContact OD2-OG1 3.09Å; D94-Q97 HydrophobicContact CB-CB 4.26Å; D94-Q97 HydrophobicContact CB-CG 4.04Å; D94-Q97 PolarHBondContact O-N 2.62Å | ||
| 95 | S | 89.2 | Confident | 89 | Confident | 92 Ų | 92 | 51.3 Ų | 51.3 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.4 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | Q97 L98 | S95-Q97 PolarHBondContact O-N 3.44Å; S95-L98 PolarHBondContact O-N 3.08Å |
| 96 | T | 90.9 | Very high | 89.1 | Confident | 61 Ų | 61 | 51.4 Ų | 51.4 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -73.1 | -17.6 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 113 | D94 K127 K130 | D94-T96 PolarHBondContact O-N 3.26Å; D94-T96 WeakPolarHBondContact OD1-CB 3.26Å; D94-T96 PolarHBondContact OD1-N 3.05Å; D94-T96 PolarHBondContact OD1-OG1 3.06Å; D94-T96 PolarHBondContact OD2-OG1 3.46Å; D94-T96 VanDerWaalsContact OD2-OG1 3.09Å; T96-K127 PolarHBondContact O-NZ 3.11Å; T96-K130 PolarHBondContact OG1-NZ 2.93Å |
| 97 | Q | 93.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -99.2 | 14.2 | 179.8 | -64.1 | -66 | 0.3 | 0 | 0 | 113.7 | A71 L73 D94 S95 K127 | A71-Q97 VanDerWaalsContact O-CB 3.31Å; A71-Q97 WeakPolarHBondContact O-CB 3.45Å; L73-Q97 PolarHBondContact N-O 3.21Å; L73-Q97 VanDerWaalsContact N-O 3.07Å; D94-Q97 HydrophobicContact CB-CB 4.26Å; D94-Q97 HydrophobicContact CB-CG 4.04Å; D94-Q97 PolarHBondContact O-N 2.62Å; S95-Q97 PolarHBondContact O-N 3.44Å; Q97-K127 PolarHBondContact NE2-O 3.18Å; Q97-K127 PolarHBondContact OE1-O 2.88Å; Q97-K127 VanDerWaalsContact OE1-O 3.1Å |
| 98 | L | 94.9 | Very high | 90 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.7 | 174.2 | -49.6 | 177.3 | 0 | 0 | 0 | 109.6 | L73 V81 L85 S95 K127 | L73-L98 HydrophobicContact CB-CD2 3.7Å; L73-L98 HydrophobicContact CD1-CD2 4.21Å; L73-L98 HydrophobicContact CD2-CD2 3.91Å; L73-L98 HydrophobicContact CG-CD2 4.15Å; L73-L98 CarbonylContact O-C 3.54Å; L73-L98 WeakPolarHBondContact O-CA 3.32Å; V81-L98 HydrophobicContact CG1-CD1 4.26Å; V81-L98 HydrophobicContact CG1-CD2 4.27Å; L85-L98 HydrophobicContact CD1-CD1 3.75Å; L85-L98 HydrophobicContact CD2-CD1 3.85Å; L85-L98 HydrophobicContact CG-CD1 4.2Å; S95-L98 PolarHBondContact O-N 3.08Å; L98-K127 WeakPolarHBondContact O-CE 3.45Å; L98-K127 PolarHBondContact O-NZ 2.9Å |
| 99 | L | 94.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 105.8 | 170.1 | 178.5 | 60.3 | 0 | 0 | 0 | 108.1 | L73 I74 D75 M76 Y120 I124 K127 | L73-L99 PolarHBondContact O-N 2.89Å; I74-L99 WeakPolarHBondContact CA-O 3.29Å; I74-L99 HydrophobicContact CG1-CB 4.19Å; I74-L99 HydrophobicContact CG1-CD2 4.44Å; I74-L99 HydrophobicContact CG2-CB 4.42Å; I74-L99 HydrophobicContact CG2-CD2 4.06Å; I74-L99 HydrophobicContact CG2-CG 4.4Å; D75-L99 PolarHBondContact N-O 3.35Å; M76-L99 HydrophobicContact CE-CD2 4.4Å; M76-L99 HydrophobicContact CE-CG 4.06Å; L99-Y120 HydrophobicContact CD1-CD1 3.89Å; L99-Y120 HydrophobicContact CD1-CE1 4.26Å; L99-Y120 HydrophobicContact CD1-CG 4.47Å; L99-Y120 HydrophobicContact CD2-CG 4.42Å; L99-I124 HydrophobicContact CD2-CD1 4.06Å; L99-I124 HydrophobicContact CD2-CG1 3.37Å; L99-K127 HydrophobicContact CB-CD 4.12Å |
| 100 | T | 93.3 | Very high | 91.1 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 32% | 0.319 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.7 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | D75 V81 | D75-T100 WeakPolarHBondContact O-CA 3.14Å; V81-T100 HydrophobicContact CB-CG2 3.79Å; V81-T100 HydrophobicContact CG1-CG2 3.81Å; V81-T100 HydrophobicContact CG2-CG2 3.83Å |
| 101 | D | 90.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | trans | -139.9 | 165.1 | 172.1 | -163.7 | -18 | 0 | 0 | 0 | 108.4 | D75 M76 E77 E78 S103 Y120 | D75-D101 PolarHBondContact O-N 3.4Å; M76-D101 CarbonylContact C-O 3.05Å; M76-D101 HydrophobicContact CE-CB 4.49Å; M76-D101 CarbonylContact O-C 3.48Å; M76-D101 HydrophobicContact SD-CB 3.88Å; E77-D101 WeakPolarHBondContact CA-O 3.29Å; E77-D101 PolarHBondContact N-O 2.99Å; E78-D101 WeakPolarHBondContact CG-O 3.34Å; E78-D101 PolarHBondContact N-O 2.91Å; D101-S103 PolarHBondContact OD1-N 3.05Å; D101-S103 PolarHBondContact OD1-OG 3.49Å; D101-Y120 VanDerWaalsContact CG-OH 3.3Å; D101-Y120 PolarHBondContact OD2-OH 3.21Å | ||
| 102 | V | 84.9 | Confident | 91.9 | Very high | 105 Ų | 105 | 34 Ų | 34 | 64% | 0.636 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -99 | -8.6 | 178.2 | -65.8 | 0 | 0 | 0 | 0 | 113 | E78 | E78-V102 VanDerWaalsContact CD-CG1 3.5Å; E78-V102 HydrophobicContact CG-CG1 3.92Å |
| 103 | S | 78.7 | Confident | 92.2 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 53% | 0.531 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -74.5 | -31.7 | -168.5 | -59.7 | 0 | 0 | 0 | 0 | 113.7 | D101 Y116 | D101-S103 PolarHBondContact OD1-N 3.05Å; D101-S103 PolarHBondContact OD1-OG 3.49Å; S103-Y116 WeakPolarHBondContact CB-OH 3.26Å |
| 104 | G | 85 | Confident | 92.4 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | trans | 66.3 | 146.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M76 G106 Y116 | M76-G104 WeakPolarHBondContact O-CA 3.31Å; M76-G104 PolarHBondContact O-N 2.97Å; G104-G106 VanDerWaalsContact C-N 3.25Å; G104-G106 PolarHBondContact O-N 3.48Å; G104-Y116 PolarHBondContact O-OH 3.35Å; G104-Y116 VanDerWaalsContact O-OH 3.12Å | ||
| 105 | S | 87.4 | Confident | 92.7 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -84.2 | 3 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | N107 N108 Y116 G150 T151 | S105-N107 PolarHBondContact O-N 2.83Å; S105-N108 WeakPolarHBondContact O-CB 3.34Å; S105-N108 PolarHBondContact O-N 3.32Å; S105-Y116 WeakPolarHBondContact OG-CD2 3.37Å; S105-G150 VanDerWaalsContact CB-C 3.47Å; S105-T151 VanDerWaalsContact CB-N 3.34Å; S105-T151 WeakPolarHBondContact CB-OG1 3.42Å; S105-T151 WeakPolarHBondContact OG-CA 3.41Å; S105-T151 PolarHBondContact OG-N 3.26Å; S105-T151 PolarHBondContact OG-OG1 2.98Å | ||
| 106 | G | 90.6 | Very high | 93 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 68% | 0.68 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | G104 N108 | G104-G106 VanDerWaalsContact C-N 3.25Å; G104-G106 PolarHBondContact O-N 3.48Å; G106-N108 PolarHBondContact O-N 3.09Å |
| 107 | N | 94.3 | Very high | 93.2 | Very high | 75 Ų | 75 | 31.2 Ų | 31.2 | 40% | 0.401 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 31.6 | -172.6 | -65.9 | -41.4 | 0 | 0 | 0 | 115.2 | S105 V185 T187 N191 | S105-N107 PolarHBondContact O-N 2.83Å; N107-V185 HydrophobicContact CB-CG1 3.69Å; N107-V185 HydrophobicContact CB-CG2 4.42Å; N107-T187 PolarHBondContact O-OG1 2.94Å; N107-N191 PolarHBondContact O-ND2 2.59Å |
| 108 | N | 96.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | trans | -117.6 | 114.3 | 178.8 | -173.4 | -23.8 | 0 | 0 | 0 | 110.9 | S105 G106 A110 V111 G112 H427 Y428 | S105-N108 WeakPolarHBondContact O-CB 3.34Å; S105-N108 PolarHBondContact O-N 3.32Å; G106-N108 PolarHBondContact O-N 3.09Å; N108-A110 VanDerWaalsContact C-N 3.29Å; N108-A110 PolarHBondContact O-N 3.22Å; N108-A110 WeakPolarHBondContact OD1-CB 3.48Å; N108-A110 PolarHBondContact OD1-N 3.34Å; N108-V111 HydrophobicContact CB-CB 4.28Å; N108-V111 HydrophobicContact CB-CG2 3.91Å; N108-V111 PolarHBondContact O-N 3.05Å; N108-G112 PolarHBondContact O-N 3.31Å; N108-H427 PolarHBondContact ND2-O 2.74Å; N108-Y428 WeakPolarHBondContact OD1-CD1 3.43Å; N108-Y428 WeakPolarHBondContact OD1-CE1 3.43Å | ||
| 109 | W | 98.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.045 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.1 | -38.5 | 178.1 | 177.9 | 101.2 | 0 | 0 | 0 | 112.6 | V111 G112 N113 G154 T157 N191 L194 E198 Y428 M434 | W109-V111 PolarHBondContact O-N 3.44Å; W109-G112 PolarHBondContact O-N 2.87Å; W109-N113 HydrophobicContact CD2-CB 3.98Å; W109-N113 HydrophobicContact CE3-CB 4.07Å; W109-N113 HydrophobicContact CH2-CB 3.82Å; W109-N113 HydrophobicContact CZ2-CB 3.72Å; W109-N113 VanDerWaalsContact CZ2-CG 3.42Å; W109-N113 VanDerWaalsContact CZ2-ND2 3.34Å; W109-N113 WeakPolarHBondContact CZ2-ND2 3.32Å; W109-N113 HydrophobicContact CZ3-CB 4Å; W109-N113 WeakPolarHBondContact O-CB 3.24Å; W109-N113 PolarHBondContact O-N 3.13Å; W109-G154 WeakPolarHBondContact O-CA 3.42Å; W109-T157 PolarHBondContact NE1-OG1 2.99Å; W109-N191 HydrophobicContact CB-CB 4.13Å; W109-N191 WeakPolarHBondContact CB-OD1 3.35Å; W109-N191 PolarHBondContact N-OD1 2.5Å; W109-L194 HydrophobicContact CB-CD1 4.33Å; W109-L194 HydrophobicContact CD2-CB 3.62Å; W109-L194 HydrophobicContact CD2-CD1 4.01Å; W109-L194 HydrophobicContact CD2-CG 4.39Å; W109-L194 HydrophobicContact CE3-CB 3.95Å; W109-L194 HydrophobicContact CE3-CD1 3.69Å; W109-L194 HydrophobicContact CE3-CG 4.27Å; W109-L194 HydrophobicContact CG-CB 3.94Å; W109-L194 HydrophobicContact CG-CD1 4.28Å; W109-L194 HydrophobicContact CH2-CB 4.47Å; W109-L194 HydrophobicContact CZ2-CB 4.17Å; W109-L194 HydrophobicContact CZ3-CB 4.36Å; W109-L194 HydrophobicContact CZ3-CD1 4.35Å; W109-L194 HydrophobicContact CZ3-CD2 4.46Å; W109-E198 HydrophobicContact CZ2-CG 3.95Å; W109-Y428 HydrophobicContact CB-CE1 4.19Å; W109-M434 HydrophobicContact CZ3-SD 4.15Å |
| 110 | A | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N108 L114 T115 Y428 V431 M434 | N108-A110 VanDerWaalsContact C-N 3.29Å; N108-A110 PolarHBondContact O-N 3.22Å; N108-A110 WeakPolarHBondContact OD1-CB 3.48Å; N108-A110 PolarHBondContact OD1-N 3.34Å; A110-L114 HydrophobicContact CB-CD1 4.3Å; A110-L114 WeakPolarHBondContact O-CA 3.45Å; A110-L114 VanDerWaalsContact O-CB 3.24Å; A110-L114 WeakPolarHBondContact O-CB 3.32Å; A110-L114 PolarHBondContact O-N 3.35Å; A110-T115 PolarHBondContact O-N 2.97Å; A110-Y428 HydrophobicContact CB-CD1 3.94Å; A110-V431 HydrophobicContact CB-CB 3.93Å; A110-V431 HydrophobicContact CB-CG1 4.09Å; A110-V431 HydrophobicContact CB-CG2 3.92Å; A110-M434 HydrophobicContact CB-CB 4.12Å; A110-M434 HydrophobicContact CB-CG 3.94Å; A110-M434 HydrophobicContact CB-SD 4.07Å |
| 111 | V | 97.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -62.2 | -46.4 | 174.1 | 178 | 0 | 0 | 0 | 0 | 110.4 | N108 W109 T115 Y116 V431 | N108-V111 HydrophobicContact CB-CB 4.28Å; N108-V111 HydrophobicContact CB-CG2 3.91Å; N108-V111 PolarHBondContact O-N 3.05Å; W109-V111 PolarHBondContact O-N 3.44Å; V111-T115 VanDerWaalsContact O-CB 3.27Å; V111-T115 WeakPolarHBondContact O-CB 3.39Å; V111-T115 PolarHBondContact O-N 3.49Å; V111-Y116 HydrophobicContact CG1-CD2 3.98Å; V111-Y116 HydrophobicContact CG1-CE2 3.57Å; V111-Y116 PolarHBondContact O-N 3.04Å; V111-V431 HydrophobicContact CG2-CG2 3.67Å |
| 112 | G | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -62.8 | -49.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N108 W109 G117 L155 | N108-G112 PolarHBondContact O-N 3.31Å; W109-G112 PolarHBondContact O-N 2.87Å; G112-G117 PolarHBondContact O-N 3.47Å; G112-L155 WeakPolarHBondContact O-CA 3.19Å |
| 113 | N | 97.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.059 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -78.7 | -44.5 | -173.1 | -172.9 | -80.3 | 0 | 0 | 0 | 112.8 | W109 G117 G154 T157 | W109-N113 HydrophobicContact CD2-CB 3.98Å; W109-N113 HydrophobicContact CE3-CB 4.07Å; W109-N113 HydrophobicContact CH2-CB 3.82Å; W109-N113 HydrophobicContact CZ2-CB 3.72Å; W109-N113 VanDerWaalsContact CZ2-CG 3.42Å; W109-N113 VanDerWaalsContact CZ2-ND2 3.34Å; W109-N113 WeakPolarHBondContact CZ2-ND2 3.32Å; W109-N113 HydrophobicContact CZ3-CB 4Å; W109-N113 WeakPolarHBondContact O-CB 3.24Å; W109-N113 PolarHBondContact O-N 3.13Å; N113-G117 VanDerWaalsContact O-CA 3.29Å; N113-G117 WeakPolarHBondContact O-CA 3.32Å; N113-G154 WeakPolarHBondContact CA-O 3.43Å; N113-G154 WeakPolarHBondContact CB-O 3.26Å; N113-G154 PolarHBondContact ND2-O 3.27Å; N113-T157 PolarHBondContact ND2-OG1 2.82Å |
| 114 | L | 97.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -94.8 | -52.2 | -172 | -55.6 | 174.5 | 0 | 0 | 0 | 111.7 | A110 S118 V431 M434 | A110-L114 HydrophobicContact CB-CD1 4.3Å; A110-L114 WeakPolarHBondContact O-CA 3.45Å; A110-L114 VanDerWaalsContact O-CB 3.24Å; A110-L114 WeakPolarHBondContact O-CB 3.32Å; A110-L114 PolarHBondContact O-N 3.35Å; L114-S118 WeakPolarHBondContact O-CB 3.35Å; L114-S118 PolarHBondContact O-N 2.97Å; L114-S118 VanDerWaalsContact O-N 3.16Å; L114-S118 PolarHBondContact O-OG 3.4Å; L114-V431 HydrophobicContact CB-CG1 4.3Å; L114-V431 HydrophobicContact CD1-CG1 4.47Å; L114-M434 HydrophobicContact CD1-CB 3.7Å; L114-M434 HydrophobicContact CD1-CG 4.44Å; L114-M434 HydrophobicContact CD1-SD 4.05Å |
| 115 | T | 96.3 | Very high | 96 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 39% | 0.387 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -70.5 | -63.6 | -177.5 | -49.1 | 0 | 0 | 0 | 0 | 111 | A110 V111 S118 A119 V431 | A110-T115 PolarHBondContact O-N 2.97Å; V111-T115 VanDerWaalsContact O-CB 3.27Å; V111-T115 WeakPolarHBondContact O-CB 3.39Å; V111-T115 PolarHBondContact O-N 3.49Å; T115-S118 PolarHBondContact O-N 3.36Å; T115-A119 VanDerWaalsContact O-CB 3.27Å; T115-A119 WeakPolarHBondContact O-CB 3.32Å; T115-A119 PolarHBondContact O-N 2.85Å; T115-V431 VanDerWaalsContact OG1-CG1 3.31Å; T115-V431 WeakPolarHBondContact OG1-CG1 3.14Å |
| 116 | Y | 95.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 11% | 0.114 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -72.6 | -35.6 | -178.6 | -64.2 | -40.8 | 0 | 0 | 0 | 112.5 | M76 S103 G104 S105 V111 S118 A119 Y120 | M76-Y116 HydrophobicContact CB-CD2 4.25Å; M76-Y116 HydrophobicContact CB-CE2 4.14Å; M76-Y116 HydrophobicContact CG-CD2 3.64Å; M76-Y116 HydrophobicContact CG-CE2 4.02Å; M76-Y116 HydrophobicContact CG-CG 4.08Å; M76-Y116 HydrophobicContact SD-CD1 4.32Å; M76-Y116 HydrophobicContact SD-CD2 4.15Å; M76-Y116 HydrophobicContact SD-CG 3.99Å; S103-Y116 WeakPolarHBondContact CB-OH 3.26Å; G104-Y116 PolarHBondContact O-OH 3.35Å; G104-Y116 VanDerWaalsContact O-OH 3.12Å; S105-Y116 WeakPolarHBondContact OG-CD2 3.37Å; V111-Y116 HydrophobicContact CG1-CD2 3.98Å; V111-Y116 HydrophobicContact CG1-CE2 3.57Å; V111-Y116 PolarHBondContact O-N 3.04Å; Y116-S118 VanDerWaalsContact C-N 3.25Å; Y116-S118 PolarHBondContact O-N 3.16Å; Y116-A119 PolarHBondContact O-N 2.84Å; Y116-Y120 HydrophobicContact CD1-CD2 4.19Å; Y116-Y120 AromaticContact CD1-CE2 3.84Å; Y116-Y120 HydrophobicContact CD1-CE2 3.84Å; Y116-Y120 HydrophobicContact CG-CD2 4.49Å; Y116-Y120 HydrophobicContact CG-CE2 4.48Å; Y116-Y120 WeakPolarHBondContact O-CB 3.33Å; Y116-Y120 PolarHBondContact O-N 3.46Å |
| 117 | G | 94.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G112 N113 R121 | G112-G117 PolarHBondContact O-N 3.47Å; N113-G117 VanDerWaalsContact O-CA 3.29Å; N113-G117 WeakPolarHBondContact O-CA 3.32Å; G117-R121 WeakPolarHBondContact O-CB 3.49Å; G117-R121 PolarHBondContact O-N 3.23Å |
| 118 | S | 94.9 | Very high | 97 | Very high | 78 Ų | 78 | 36.6 Ų | 36.6 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -81.4 | -46.1 | 172.8 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | L114 T115 Y116 Y120 R121 | L114-S118 WeakPolarHBondContact O-CB 3.35Å; L114-S118 PolarHBondContact O-N 2.97Å; L114-S118 VanDerWaalsContact O-N 3.16Å; L114-S118 PolarHBondContact O-OG 3.4Å; T115-S118 PolarHBondContact O-N 3.36Å; Y116-S118 VanDerWaalsContact C-N 3.25Å; Y116-S118 PolarHBondContact O-N 3.16Å; S118-Y120 VanDerWaalsContact C-N 3.32Å; S118-Y120 PolarHBondContact O-N 3.29Å; S118-R121 PolarHBondContact O-N 3.32Å |
| 119 | A | 95.8 | Very high | 97 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.1 | -37.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | T115 Y116 | T115-A119 VanDerWaalsContact O-CB 3.27Å; T115-A119 WeakPolarHBondContact O-CB 3.32Å; T115-A119 PolarHBondContact O-N 2.85Å; Y116-A119 PolarHBondContact O-N 2.84Å |
| 120 | Y | 96.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.5 | -177.2 | -66.7 | -70.2 | 0 | 0 | 0 | 114 | M76 L99 D101 Y116 S118 D122 S123 I124 | M76-Y120 HydrophobicContact SD-CD2 4Å; M76-Y120 HydrophobicContact SD-CE2 3.78Å; L99-Y120 HydrophobicContact CD1-CD1 3.89Å; L99-Y120 HydrophobicContact CD1-CE1 4.26Å; L99-Y120 HydrophobicContact CD1-CG 4.47Å; L99-Y120 HydrophobicContact CD2-CG 4.42Å; D101-Y120 VanDerWaalsContact CG-OH 3.3Å; D101-Y120 PolarHBondContact OD2-OH 3.21Å; Y116-Y120 HydrophobicContact CD1-CD2 4.19Å; Y116-Y120 AromaticContact CD1-CE2 3.84Å; Y116-Y120 HydrophobicContact CD1-CE2 3.84Å; Y116-Y120 HydrophobicContact CG-CD2 4.49Å; Y116-Y120 HydrophobicContact CG-CE2 4.48Å; Y116-Y120 WeakPolarHBondContact O-CB 3.33Å; Y116-Y120 PolarHBondContact O-N 3.46Å; S118-Y120 VanDerWaalsContact C-N 3.32Å; S118-Y120 PolarHBondContact O-N 3.29Å; Y120-D122 PolarHBondContact O-N 3.06Å; Y120-S123 WeakPolarHBondContact O-CB 3.45Å; Y120-S123 PolarHBondContact O-N 2.91Å; Y120-S123 VanDerWaalsContact O-N 3.13Å; Y120-I124 VanDerWaalsContact O-CG1 3.31Å; Y120-I124 WeakPolarHBondContact O-CG1 3.47Å; Y120-I124 PolarHBondContact O-N 3.13Å |
| 121 | R | 97.2 | Very high | 96.7 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -47.5 | -57.8 | -176.1 | -176.1 | 178.8 | -175.6 | -80.8 | -4.4 | 112.4 | G117 S118 S123 I124 V125 L162 E165 | G117-R121 WeakPolarHBondContact O-CB 3.49Å; G117-R121 PolarHBondContact O-N 3.23Å; S118-R121 PolarHBondContact O-N 3.32Å; R121-S123 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 3.39Å; R121-I124 PolarHBondContact O-N 3.47Å; R121-V125 HydrophobicContact CG-CG2 4.5Å; R121-V125 WeakPolarHBondContact O-CG2 3.44Å; R121-V125 PolarHBondContact O-N 3.41Å; R121-L162 HydrophobicContact CG-CD1 4.24Å; R121-L162 HydrophobicContact CG-CD2 3.88Å; R121-E165 IonicContact CZ-OE2 3.46Å; R121-E165 IonicContact NH2-OE2 2.68Å; R121-E165 PolarHBondContact NH2-OE2 3.38Å |
| 122 | D | 97.6 | Very high | 96.6 | Very high | 106 Ų | 106 | 42.8 Ų | 42.8 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.5 | -35 | -174.8 | -61.9 | -29.2 | 0 | 0 | 0 | 112.1 | Y120 N126 | Y120-D122 PolarHBondContact O-N 3.06Å; D122-N126 VanDerWaalsContact O-CB 3.24Å; D122-N126 WeakPolarHBondContact O-CB 3.37Å; D122-N126 PolarHBondContact O-N 3.26Å; D122-N126 PolarHBondContact O-ND2 2.88Å |
| 123 | S | 97.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 50 Ų | 50 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | Y120 R121 K127 | Y120-S123 WeakPolarHBondContact O-CB 3.45Å; Y120-S123 PolarHBondContact O-N 2.91Å; Y120-S123 VanDerWaalsContact O-N 3.13Å; R121-S123 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 3.39Å; S123-K127 VanDerWaalsContact O-CG 3.29Å; S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 3.28Å; S123-K127 VanDerWaalsContact O-N 3.1Å; S123-K127 WeakPolarHBondContact OG-CE 3.44Å |
| 124 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -53.6 | 177 | -68.7 | 167.6 | 0 | 0 | 0 | 109.6 | I74 L99 Y120 R121 N126 K127 L128 L155 V159 L162 | I74-I124 HydrophobicContact CD1-CG1 4.29Å; I74-I124 HydrophobicContact CD1-CG2 4.33Å; L99-I124 HydrophobicContact CD2-CD1 4.06Å; L99-I124 HydrophobicContact CD2-CG1 3.37Å; Y120-I124 VanDerWaalsContact O-CG1 3.31Å; Y120-I124 WeakPolarHBondContact O-CG1 3.47Å; Y120-I124 PolarHBondContact O-N 3.13Å; R121-I124 PolarHBondContact O-N 3.47Å; I124-N126 VanDerWaalsContact C-N 3.31Å; I124-N126 PolarHBondContact O-N 2.82Å; I124-K127 PolarHBondContact O-N 3.29Å; I124-K127 VanDerWaalsContact O-N 3.11Å; I124-L128 HydrophobicContact CG2-CD1 3.79Å; I124-L128 HydrophobicContact CG2-CG 4.27Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.48Å; I124-L128 PolarHBondContact O-N 3.07Å; I124-L155 HydrophobicContact CD1-CD1 3.8Å; I124-V159 HydrophobicContact CD1-CG2 4.19Å; I124-V159 HydrophobicContact CG2-CG1 4.45Å; I124-V159 HydrophobicContact CG2-CG2 3.96Å; I124-L162 HydrophobicContact CB-CD1 4.44Å; I124-L162 HydrophobicContact CG2-CD1 4.03Å |
| 125 | V | 98 | Very high | 95.7 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | -178.9 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | R121 K127 L128 R129 L162 E166 | R121-V125 HydrophobicContact CG-CG2 4.5Å; R121-V125 WeakPolarHBondContact O-CG2 3.44Å; R121-V125 PolarHBondContact O-N 3.41Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-K127 PolarHBondContact O-N 2.93Å; V125-L128 PolarHBondContact O-N 3.3Å; V125-R129 HydrophobicContact CG1-CG 4.34Å; V125-R129 WeakPolarHBondContact O-CB 3.31Å; V125-R129 WeakPolarHBondContact O-CG 3.45Å; V125-R129 PolarHBondContact O-N 2.85Å; V125-L162 HydrophobicContact CG2-CB 4.4Å; V125-L162 HydrophobicContact CG2-CD1 4.26Å; V125-L162 HydrophobicContact CG2-CD2 4.16Å; V125-E166 HydrophobicContact CG1-CG 3.93Å; V125-E166 HydrophobicContact CG2-CG 4.24Å |
| 126 | N | 97.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 178.5 | -72.6 | -27.3 | 0 | 0 | 0 | 112.7 | D122 I124 K130 | D122-N126 VanDerWaalsContact O-CB 3.24Å; D122-N126 WeakPolarHBondContact O-CB 3.37Å; D122-N126 PolarHBondContact O-N 3.26Å; D122-N126 PolarHBondContact O-ND2 2.88Å; I124-N126 VanDerWaalsContact C-N 3.31Å; I124-N126 PolarHBondContact O-N 2.82Å; N126-K130 WeakPolarHBondContact O-CB 3.41Å; N126-K130 PolarHBondContact O-N 3.24Å |
| 127 | K | 97.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 174.7 | -73.8 | 170.6 | -166.2 | -73.3 | 0 | 111.6 | V72 T96 Q97 L98 L99 S123 I124 V125 K130 A131 | V72-K127 HydrophobicContact CG1-CB 4.1Å; T96-K127 PolarHBondContact O-NZ 3.11Å; Q97-K127 PolarHBondContact NE2-O 3.18Å; Q97-K127 PolarHBondContact OE1-O 2.88Å; Q97-K127 VanDerWaalsContact OE1-O 3.1Å; L98-K127 WeakPolarHBondContact O-CE 3.45Å; L98-K127 PolarHBondContact O-NZ 2.9Å; L99-K127 HydrophobicContact CB-CD 4.12Å; S123-K127 VanDerWaalsContact O-CG 3.29Å; S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 3.28Å; S123-K127 VanDerWaalsContact O-N 3.1Å; S123-K127 WeakPolarHBondContact OG-CE 3.44Å; I124-K127 PolarHBondContact O-N 3.29Å; I124-K127 VanDerWaalsContact O-N 3.11Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-K127 PolarHBondContact O-N 2.93Å; K127-K130 PolarHBondContact O-N 2.64Å; K127-A131 WeakPolarHBondContact O-CB 3.44Å; K127-A131 PolarHBondContact O-N 2.94Å |
| 128 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.3 | -66 | 173.9 | 0 | 0 | 0 | 111.7 | V7 V72 I124 V125 A131 A132 V159 L163 F167 | V7-L128 HydrophobicContact CG1-CD2 4.41Å; V7-L128 HydrophobicContact CG2-CD2 3.72Å; V72-L128 HydrophobicContact CG2-CD2 4.27Å; I124-L128 HydrophobicContact CG2-CD1 3.79Å; I124-L128 HydrophobicContact CG2-CG 4.27Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.48Å; I124-L128 PolarHBondContact O-N 3.07Å; V125-L128 PolarHBondContact O-N 3.3Å; L128-A131 PolarHBondContact O-N 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.11Å; L128-V159 HydrophobicContact CD1-CG1 4.32Å; L128-L163 HydrophobicContact CD1-CD2 3.83Å; L128-L163 HydrophobicContact CD1-CG 4.1Å; L128-L163 HydrophobicContact CD2-CD2 3.97Å; L128-L163 HydrophobicContact CG-CD2 4.37Å; L128-F167 HydrophobicContact CB-CE2 4.18Å |
| 129 | R | 97.1 | Very high | 95 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 174.4 | -72.7 | -179.3 | -171.4 | 146.5 | -5.6 | 111.8 | V125 A131 A132 E133 E166 F167 | V125-R129 HydrophobicContact CG1-CG 4.34Å; V125-R129 WeakPolarHBondContact O-CB 3.31Å; V125-R129 WeakPolarHBondContact O-CG 3.45Å; V125-R129 PolarHBondContact O-N 2.85Å; R129-A131 VanDerWaalsContact C-N 3.26Å; R129-A131 PolarHBondContact O-N 3.28Å; R129-A132 WeakPolarHBondContact O-CB 3.44Å; R129-A132 PolarHBondContact O-N 2.75Å; R129-A132 VanDerWaalsContact O-N 3.11Å; R129-E133 WeakPolarHBondContact O-CB 3.35Å; R129-E133 WeakPolarHBondContact O-CG 3.4Å; R129-E133 PolarHBondContact O-N 2.89Å; R129-E166 IonicContact CZ-OE1 3.83Å; R129-E166 IonicContact CZ-OE2 3.84Å; R129-E166 IonicContact NE-OE2 2.98Å; R129-E166 PolarHBondContact NE-OE2 3.4Å; R129-E166 IonicContact NH2-OE1 3.63Å; R129-E166 PolarHBondContact NH2-OE1 3.3Å; R129-E166 IonicContact NH2-OE2 2.9Å; R129-E166 PolarHBondContact NH2-OE2 3.15Å; R129-F167 HydrophobicContact CG-CZ 4Å |
| 130 | K | 95.3 | Very high | 95 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 177 | -172.1 | -178.5 | -177.6 | -169 | 0 | 112.1 | T96 N126 K127 H134 | T96-K130 PolarHBondContact OG1-NZ 2.93Å; N126-K130 WeakPolarHBondContact O-CB 3.41Å; N126-K130 PolarHBondContact O-N 3.24Å; K127-K130 PolarHBondContact O-N 2.64Å; K130-H134 PolarHBondContact O-CE1 3.49Å; K130-H134 VanDerWaalsContact O-CG 3.29Å; K130-H134 PolarHBondContact O-N 2.98Å; K130-H134 PolarHBondContact O-ND1 3.45Å |
| 131 | A | 94.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V5 V72 K127 L128 R129 | V5-A131 HydrophobicContact CG1-CB 3.9Å; V5-A131 HydrophobicContact CG2-CB 4.27Å; V72-A131 HydrophobicContact CG2-CB 3.8Å; K127-A131 WeakPolarHBondContact O-CB 3.44Å; K127-A131 PolarHBondContact O-N 2.94Å; L128-A131 PolarHBondContact O-N 3.28Å; R129-A131 VanDerWaalsContact C-N 3.26Å; R129-A131 PolarHBondContact O-N 3.28Å |
| 132 | A | 95 | Very high | 95.1 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L128 R129 H134 C135 L138 F141 F167 | L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.11Å; R129-A132 WeakPolarHBondContact O-CB 3.44Å; R129-A132 PolarHBondContact O-N 2.75Å; R129-A132 VanDerWaalsContact O-N 3.11Å; A132-H134 PolarHBondContact O-N 3.03Å; A132-C135 WeakPolarHBondContact O-CA 3.38Å; A132-C135 VanDerWaalsContact O-CB 3.26Å; A132-C135 WeakPolarHBondContact O-CB 3.41Å; A132-C135 PolarHBondContact O-N 2.92Å; A132-L138 HydrophobicContact CB-CD2 3.74Å; A132-F141 HydrophobicContact CB-CZ 4.4Å; A132-F167 HydrophobicContact CB-CE1 3.72Å; A132-F167 HydrophobicContact CB-CZ 3.82Å |
| 133 | E | 92.3 | Very high | 95.2 | Very high | 150 Ų | 150 | 40.3 Ų | 40.3 | 70% | 0.701 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.5 | -27 | 177.3 | -74.7 | 171 | 178.9 | 0 | 0 | 113 | R129 C135 | R129-E133 WeakPolarHBondContact O-CB 3.35Å; R129-E133 WeakPolarHBondContact O-CG 3.4Å; R129-E133 PolarHBondContact O-N 2.89Å; E133-C135 PolarHBondContact O-N 2.88Å |
| 134 | H | 89.8 | Confident | 95.2 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 26% | 0.255 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.7 | 172.7 | -68.6 | 139 | 0 | 0 | 0 | 113.1 | R46 R70 K130 A132 | R46-H134 PolarHBondContact NH1-CD2 3.01Å; R70-H134 PolarHBondContact NH1-O 3.19Å; K130-H134 PolarHBondContact O-CE1 3.49Å; K130-H134 VanDerWaalsContact O-CG 3.29Å; K130-H134 PolarHBondContact O-N 2.98Å; K130-H134 PolarHBondContact O-ND1 3.45Å; A132-H134 PolarHBondContact O-N 3.03Å |
| 135 | C | 91.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.101 | 19% | 0.193 | C | C | . | . | trans | -94.8 | 128.8 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | Q3 R70 A132 E133 C137 L138 | Q3-C135 HydrophobicContact CB-CB 4.09Å; R70-C135 PolarHBondContact NH1-SG 3.4Å; R70-C135 VanDerWaalsContact NH1-SG 3.37Å; A132-C135 WeakPolarHBondContact O-CA 3.38Å; A132-C135 VanDerWaalsContact O-CB 3.26Å; A132-C135 WeakPolarHBondContact O-CB 3.41Å; A132-C135 PolarHBondContact O-N 2.92Å; E133-C135 PolarHBondContact O-N 2.88Å; C135-C137 VanDerWaalsContact C-N 3.34Å; C135-L138 HydrophobicContact CB-CB 4.05Å | ||
| 136 | D | 88.7 | Confident | 95.2 | Very high | 150 Ų | 150 | 39.1 Ų | 39.1 | 80% | 0.802 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -69.2 | -36.3 | 169.9 | -47.4 | -65.9 | 0 | 0 | 0 | 111 | Q3 | Q3-D136 PolarHBondContact NE2-OD2 3.14Š|
| 137 | C | 90.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 47% | 0.466 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -144.4 | 90.7 | 177.2 | -175 | 0 | 0 | 0 | 0 | 109.8 | Q3 C135 Q139 | Q3-C137 PolarHBondContact N-O 3.41Å; C135-C137 VanDerWaalsContact C-N 3.34Å; C137-Q139 PolarHBondContact O-N 3.31Å |
| 138 | L | 94.6 | Very high | 95 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.6 | 175.9 | 179.7 | 64.2 | 0 | 0 | 0 | 110.2 | V5 A132 C135 F141 V170 | V5-L138 HydrophobicContact CB-CD1 4.41Å; V5-L138 HydrophobicContact CG2-CD1 3.8Å; A132-L138 HydrophobicContact CB-CD2 3.74Å; C135-L138 HydrophobicContact CB-CB 4.05Å; L138-F141 HydrophobicContact CD2-CE1 4.39Å; L138-F141 HydrophobicContact CD2-CE2 3.68Å; L138-F141 HydrophobicContact CD2-CZ 3.57Å; L138-V170 HydrophobicContact CD2-CG1 3.97Å; L138-V170 HydrophobicContact CD2-CG2 4.13Å; L138-V170 HydrophobicContact CG-CG1 3.88Å; L138-V170 HydrophobicContact CG-CG2 4.49Å |
| 139 | Q | 92.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -48.9 | -179.6 | 168.9 | 175.9 | 35.1 | 0 | 0 | 112.6 | T2 Q3 C137 D281 L282 N283 | T2-Q139 HydrophobicContact CG2-CB 3.98Å; T2-Q139 HydrophobicContact CG2-CG 4.31Å; T2-Q139 PolarHBondContact OG1-OE1 3.02Å; Q3-Q139 PolarHBondContact O-N 3.02Å; C137-Q139 PolarHBondContact O-N 3.31Å; Q139-D281 PolarHBondContact NE2-OD1 3.41Å; Q139-D281 PolarHBondContact NE2-OD2 3.07Å; Q139-L282 HydrophobicContact CG-CB 4.27Å; Q139-L282 VanDerWaalsContact NE2-N 3.13Å; Q139-N283 PolarHBondContact O-OD1 3.48Å |
| 140 | C | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 158.2 | -176.9 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | S4 V5 F142 C171 L282 | S4-C140 WeakPolarHBondContact CA-O 3.33Å; S4-C140 PolarHBondContact OG-SG 3.28Å; V5-C140 PolarHBondContact N-O 3.09Å; V5-C140 VanDerWaalsContact N-O 3.15Å; C140-F142 WeakPolarHBondContact SG-CE2 3.45Å; C140-C171 CarbonylContact C-O 3.59Å; C140-C171 WeakPolarHBondContact CA-O 3.19Å; C140-C171 HydrophobicContact CB-CB 4Å; C140-C171 VanDerWaalsContact CB-O 3.22Å; C140-C171 WeakPolarHBondContact CB-O 3.4Å; C140-L282 WeakPolarHBondContact SG-CD1 3.12Å |
| 141 | F | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.9 | 163.9 | -68.3 | -81.6 | 0 | 0 | 0 | 109.8 | V5 V7 A132 L138 L163 F167 V170 C171 I173 | V5-F141 HydrophobicContact CB-CD1 3.68Å; V5-F141 HydrophobicContact CB-CE1 3.76Å; V5-F141 HydrophobicContact CG1-CD1 3.92Å; V5-F141 HydrophobicContact CG1-CE1 3.92Å; V5-F141 HydrophobicContact CG2-CE1 4.23Å; V5-F141 WeakPolarHBondContact O-CA 3.35Å; V7-F141 HydrophobicContact CG2-CD1 4.25Å; A132-F141 HydrophobicContact CB-CZ 4.4Å; L138-F141 HydrophobicContact CD2-CE1 4.39Å; L138-F141 HydrophobicContact CD2-CE2 3.68Å; L138-F141 HydrophobicContact CD2-CZ 3.57Å; F141-L163 HydrophobicContact CB-CD1 4.09Å; F141-L163 HydrophobicContact CB-CD2 4.34Å; F141-L163 HydrophobicContact CD1-CD2 3.63Å; F141-L163 HydrophobicContact CD2-CD2 3.71Å; F141-L163 HydrophobicContact CE1-CD2 3.71Å; F141-L163 HydrophobicContact CE2-CD2 3.77Å; F141-L163 HydrophobicContact CG-CD1 4.28Å; F141-L163 HydrophobicContact CG-CD2 3.63Å; F141-L163 HydrophobicContact CZ-CD2 3.76Å; F141-F167 HydrophobicContact CE2-CB 3.82Å; F141-F167 HydrophobicContact CE2-CD1 4.38Å; F141-F167 AromaticContact CE2-CD2 3.67Å; F141-F167 HydrophobicContact CE2-CD2 3.67Å; F141-F167 HydrophobicContact CE2-CE2 4.35Å; F141-F167 AromaticContact CE2-CG 3.7Å; F141-F167 HydrophobicContact CE2-CG 3.7Å; F141-F167 HydrophobicContact CZ-CD1 4.45Å; F141-F167 AromaticContact CZ-CD2 3.68Å; F141-F167 HydrophobicContact CZ-CD2 3.68Å; F141-F167 AromaticContact CZ-CE2 3.89Å; F141-F167 HydrophobicContact CZ-CE2 3.89Å; F141-F167 AromaticContact CZ-CG 4Å; F141-F167 HydrophobicContact CZ-CG 4Å; F141-F167 HydrophobicContact CZ-CZ 4.36Å; F141-V170 HydrophobicContact CD2-CB 4.22Å; F141-V170 HydrophobicContact CD2-CG1 3.58Å; F141-V170 HydrophobicContact CE2-CB 4.11Å; F141-V170 HydrophobicContact CE2-CG1 3.7Å; F141-C171 PolarHBondContact N-O 2.94Å; F141-I173 PolarHBondContact O-N 3.32Å |
| 142 | F | 98.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.8 | 164.3 | -73.5 | -82.7 | 0 | 0 | 0 | 108.8 | V5 V6 V7 F44 C140 I173 L265 I268 T269 L282 | V5-F142 PolarHBondContact O-N 3.47Å; V6-F142 CarbonylContact C-O 3.56Å; V6-F142 WeakPolarHBondContact CA-O 3.27Å; V6-F142 HydrophobicContact CG1-CB 4.27Å; V6-F142 HydrophobicContact CG2-CB 4.29Å; V7-F142 PolarHBondContact N-O 3.03Å; F44-F142 HydrophobicContact CE1-CD2 4.18Å; F44-F142 HydrophobicContact CE1-CE2 4.26Å; F44-F142 HydrophobicContact CZ-CD2 4.45Å; F44-F142 HydrophobicContact CZ-CE2 4.08Å; C140-F142 WeakPolarHBondContact SG-CE2 3.45Å; F142-I173 CarbonylContact C-O 3.57Å; F142-I173 WeakPolarHBondContact CA-O 3.02Å; F142-I173 HydrophobicContact CD1-CB 3.91Å; F142-I173 HydrophobicContact CD1-CG2 3.97Å; F142-I173 HydrophobicContact CE1-CB 3.93Å; F142-I173 HydrophobicContact CE1-CD1 3.89Å; F142-I173 HydrophobicContact CE1-CG1 4.48Å; F142-I173 HydrophobicContact CE1-CG2 3.85Å; F142-I173 HydrophobicContact CZ-CD1 4.08Å; F142-L265 HydrophobicContact CD1-CD2 4.11Å; F142-L265 HydrophobicContact CE1-CD2 4.47Å; F142-I268 HydrophobicContact CE1-CG2 4.21Å; F142-T269 HydrophobicContact CE1-CG2 4.31Å; F142-T269 HydrophobicContact CE2-CG2 3.78Å; F142-T269 HydrophobicContact CZ-CG2 3.51Å; F142-L282 HydrophobicContact CE2-CD1 3.82Å; F142-L282 HydrophobicContact CZ-CD1 3.76Å; F142-L282 HydrophobicContact CZ-CD2 4.09Å |
| 143 | L | 98.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.6 | 171.7 | 179.2 | 64.6 | 0 | 0 | 0 | 109.5 | V7 V9 G156 V159 L160 I173 V174 T175 | V7-L143 HydrophobicContact CB-CD1 4.02Å; V7-L143 HydrophobicContact CG1-CD1 4Å; V7-L143 WeakPolarHBondContact O-CA 3.49Å; V9-L143 HydrophobicContact CG2-CD1 3.68Å; L143-G156 WeakPolarHBondContact CD2-O 3.49Å; L143-V159 HydrophobicContact CD1-CG1 4.48Å; L143-L160 HydrophobicContact CD2-CB 3.79Å; L143-L160 HydrophobicContact CD2-CD1 4.18Å; L143-L160 HydrophobicContact CD2-CG 4.43Å; L143-I173 PolarHBondContact N-O 3.4Å; L143-V174 HydrophobicContact CB-CG1 4.31Å; L143-V174 HydrophobicContact CB-CG2 4.24Å; L143-V174 HydrophobicContact CD2-CG1 4.22Å; L143-V174 HydrophobicContact CD2-CG2 4.34Å; L143-V174 HydrophobicContact CG-CG1 4.35Å; L143-V174 CarbonylContact O-C 3.56Å; L143-V174 WeakPolarHBondContact O-CA 3.39Å; L143-T175 PolarHBondContact O-N 3.48Å |
| 144 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.7 | 179.3 | -50.4 | 171.3 | 0 | 0 | 0 | 108.5 | V6 V7 Q8 V9 G13 V16 M177 L265 | V6-I144 HydrophobicContact CG1-CD1 3.54Å; V6-I144 HydrophobicContact CG1-CG1 4.19Å; V7-I144 PolarHBondContact O-N 3.41Å; Q8-I144 HydrophobicContact CG-CD1 4.45Å; V9-I144 PolarHBondContact N-O 3.47Å; G13-I144 WeakPolarHBondContact CA-O 3.44Å; V16-I144 HydrophobicContact CB-CG2 4.12Å; V16-I144 HydrophobicContact CG1-CG2 3.93Å; I144-M177 HydrophobicContact CG2-CE 3.53Å; I144-M177 HydrophobicContact CG2-SD 4.4Å; I144-L265 HydrophobicContact CD1-CD1 3.41Å; I144-L265 VanDerWaalsContact CD1-CD1 3.41Å; I144-L265 HydrophobicContact CG1-CD1 4.11Å |
| 145 | H | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 167.8 | -176.6 | 79.2 | 131.5 | 0 | 0 | 0 | 112.5 | V9 G152 T175 M177 | V9-H145 HydrophobicContact CB-CB 4.34Å; H145-G152 WeakPolarHBondContact CB-O 3.47Å; H145-G152 PolarHBondContact ND1-O 3.38Å; H145-T175 PolarHBondContact N-O 3.47Å; H145-M177 PolarHBondContact O-N 2.73Å |
| 146 | S | 96.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 15.2 Ų | 15.2 | 14% | 0.14 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 152.5 | 172 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | G152 S153 | S146-G152 CarbonylContact O-C 3.55Å; S146-S153 WeakPolarHBondContact O-CA 3.35Å; S146-S153 VanDerWaalsContact O-CB 3.32Å; S146-S153 WeakPolarHBondContact O-CB 3.48Å; S146-S153 PolarHBondContact O-N 2.84Å |
| 147 | M | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -88.8 | -22.6 | 176.8 | -61.9 | -62.3 | -76.9 | 0 | 0 | 112.8 | S153 A176 M177 Y178 N191 S192 A195 M196 L199 | M147-S153 VanDerWaalsContact O-CB 3.26Å; M147-S153 WeakPolarHBondContact O-CB 3.27Å; M147-A176 HydrophobicContact CG-CB 4.08Å; M147-A176 HydrophobicContact SD-CB 4.02Å; M147-M177 PolarHBondContact N-O 3.03Å; M147-Y178 HydrophobicContact CG-CD2 4.19Å; M147-Y178 HydrophobicContact CG-CE2 4.19Å; M147-Y178 HydrophobicContact CG-CG 4.37Å; M147-N191 CarbonylContact O-C 3.56Å; M147-N191 WeakPolarHBondContact O-CB 3.46Å; M147-S192 WeakPolarHBondContact CE-O 3.23Å; M147-S192 WeakPolarHBondContact O-CA 3.38Å; M147-S192 PolarHBondContact O-N 2.77Å; M147-S192 VanDerWaalsContact O-N 3.16Å; M147-S192 PolarHBondContact O-OG 3.36Å; M147-S192 VanDerWaalsContact O-OG 3.1Å; M147-A195 HydrophobicContact CE-CB 3.63Å; M147-A195 HydrophobicContact SD-CB 3.96Å; M147-M196 HydrophobicContact CE-CB 3.89Å; M147-L199 HydrophobicContact CE-CD1 3.62Å; M147-L199 HydrophobicContact CE-CG 4.4Å; M147-L199 HydrophobicContact SD-CD1 3.6Å; M147-L199 HydrophobicContact SD-CG 4.47Å |
| 148 | G | 93.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 7 Ų | 7 | 4% | 0.041 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -88.1 | -30.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116 | N191 | G148-N191 PolarHBondContact O-ND2 2.8Š|
| 149 | G | 93.6 | Very high | 97 | Very high | 13 Ų | 13 | 5.2 Ų | 5.2 | 13% | 0.134 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -84.5 | 178 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S153 | G149-S153 VanDerWaalsContact O-CB 3.24Å; G149-S153 WeakPolarHBondContact O-CB 3.36Å; G149-S153 PolarHBondContact O-OG 3.01Å |
| 150 | G | 94.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 4.9 Ų | 4.9 | 3% | 0.031 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -83.9 | -51.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S105 G154 | S105-G150 VanDerWaalsContact CB-C 3.47Å; G150-G154 WeakPolarHBondContact O-CA 3.1Å; G150-G154 PolarHBondContact O-N 2.85Å |
| 151 | T | 96.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 5.2 Ų | 5.2 | 5% | 0.049 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -69.5 | -50.9 | -179.6 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | V9 M76 S105 S153 L155 G156 | V9-T151 HydrophobicContact CG1-CG2 4.31Å; M76-T151 HydrophobicContact CB-CG2 4.16Å; M76-T151 HydrophobicContact CG-CG2 3.88Å; S105-T151 VanDerWaalsContact CB-N 3.34Å; S105-T151 WeakPolarHBondContact CB-OG1 3.42Å; S105-T151 WeakPolarHBondContact OG-CA 3.41Å; S105-T151 PolarHBondContact OG-N 3.26Å; S105-T151 PolarHBondContact OG-OG1 2.98Å; T151-S153 PolarHBondContact O-N 3.24Å; T151-L155 HydrophobicContact CG2-CB 4.31Å; T151-L155 HydrophobicContact CG2-CD2 4.2Å; T151-L155 WeakPolarHBondContact O-CA 3.45Å; T151-L155 VanDerWaalsContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CB 3.28Å; T151-L155 PolarHBondContact O-N 3.2Å; T151-G156 PolarHBondContact O-N 3.48Å; T151-G156 VanDerWaalsContact O-N 3.08Å |
| 152 | G | 96.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 3% | 0.031 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -57.8 | -50.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | H145 S146 G156 | H145-G152 WeakPolarHBondContact CB-O 3.47Å; H145-G152 PolarHBondContact ND1-O 3.38Å; S146-G152 CarbonylContact O-C 3.55Å; G152-G156 WeakPolarHBondContact O-CA 3.24Å; G152-G156 PolarHBondContact O-N 2.9Å |
| 153 | S | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.031 | C | C | . | . | I | π-helix | trans | -78.9 | -51.4 | -175.7 | 76.9 | 0 | 0 | 0 | 0 | 111.6 | S146 M147 G149 T151 T157 | S146-S153 WeakPolarHBondContact O-CA 3.35Å; S146-S153 VanDerWaalsContact O-CB 3.32Å; S146-S153 WeakPolarHBondContact O-CB 3.48Å; S146-S153 PolarHBondContact O-N 2.84Å; M147-S153 VanDerWaalsContact O-CB 3.26Å; M147-S153 WeakPolarHBondContact O-CB 3.27Å; G149-S153 VanDerWaalsContact O-CB 3.24Å; G149-S153 WeakPolarHBondContact O-CB 3.36Å; G149-S153 PolarHBondContact O-OG 3.01Å; T151-S153 PolarHBondContact O-N 3.24Å; S153-T157 WeakPolarHBondContact O-CB 3.26Å; S153-T157 VanDerWaalsContact O-CG2 3.29Å; S153-T157 WeakPolarHBondContact O-CG2 3.19Å; S153-T157 PolarHBondContact O-N 2.96Å; S153-T157 VanDerWaalsContact O-N 3.08Å; S153-T157 PolarHBondContact O-OG1 3.37Å |
| 154 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | I | π-helix | trans | -70.1 | -64.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W109 N113 G150 G156 T157 R158 | W109-G154 WeakPolarHBondContact O-CA 3.42Å; N113-G154 WeakPolarHBondContact CA-O 3.43Å; N113-G154 WeakPolarHBondContact CB-O 3.26Å; N113-G154 PolarHBondContact ND2-O 3.27Å; G150-G154 WeakPolarHBondContact O-CA 3.1Å; G150-G154 PolarHBondContact O-N 2.85Å; G154-G156 VanDerWaalsContact C-N 3.31Å; G154-G156 PolarHBondContact O-N 3.14Å; G154-T157 PolarHBondContact O-N 3.07Å; G154-T157 PolarHBondContact O-OG1 2.76Å; G154-T157 VanDerWaalsContact O-OG1 3.06Å; G154-R158 PolarHBondContact O-N 3.42Å |
| 155 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -66.1 | -37.3 | 179.9 | -172 | 59.4 | 0 | 0 | 0 | 110.7 | V9 I74 M76 G112 I124 T151 T157 R158 V159 | V9-L155 HydrophobicContact CG1-CB 4.3Å; V9-L155 HydrophobicContact CG1-CG 4.4Å; I74-L155 HydrophobicContact CG2-CD2 3.46Å; I74-L155 VanDerWaalsContact CG2-CD2 3.46Å; I74-L155 HydrophobicContact CG2-CG 4.29Å; M76-L155 HydrophobicContact CE-CD2 3.83Å; M76-L155 HydrophobicContact CG-CD2 3.96Å; M76-L155 HydrophobicContact SD-CD2 4.18Å; G112-L155 WeakPolarHBondContact O-CA 3.19Å; I124-L155 HydrophobicContact CD1-CD1 3.8Å; T151-L155 HydrophobicContact CG2-CB 4.31Å; T151-L155 HydrophobicContact CG2-CD2 4.2Å; T151-L155 WeakPolarHBondContact O-CA 3.45Å; T151-L155 VanDerWaalsContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CB 3.28Å; T151-L155 PolarHBondContact O-N 3.2Å; L155-T157 PolarHBondContact O-N 2.93Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.16Å; L155-V159 HydrophobicContact CG-CG2 4.46Å; L155-V159 VanDerWaalsContact O-CG2 3.3Å; L155-V159 WeakPolarHBondContact O-CG2 3.26Å; L155-V159 PolarHBondContact O-N 3.1Å |
| 156 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 T151 G152 G154 V159 L160 | L143-G156 WeakPolarHBondContact CD2-O 3.49Å; T151-G156 PolarHBondContact O-N 3.48Å; T151-G156 VanDerWaalsContact O-N 3.08Å; G152-G156 WeakPolarHBondContact O-CA 3.24Å; G152-G156 PolarHBondContact O-N 2.9Å; G154-G156 VanDerWaalsContact C-N 3.31Å; G154-G156 PolarHBondContact O-N 3.14Å; G156-V159 PolarHBondContact O-N 3.2Å; G156-L160 PolarHBondContact O-N 3.06Å |
| 157 | T | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.5 | -28.8 | 175.3 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | W109 N113 S153 G154 L155 L160 S161 A195 E198 L199 | W109-T157 PolarHBondContact NE1-OG1 2.99Å; N113-T157 PolarHBondContact ND2-OG1 2.82Å; S153-T157 WeakPolarHBondContact O-CB 3.26Å; S153-T157 VanDerWaalsContact O-CG2 3.29Å; S153-T157 WeakPolarHBondContact O-CG2 3.19Å; S153-T157 PolarHBondContact O-N 2.96Å; S153-T157 VanDerWaalsContact O-N 3.08Å; S153-T157 PolarHBondContact O-OG1 3.37Å; G154-T157 PolarHBondContact O-N 3.07Å; G154-T157 PolarHBondContact O-OG1 2.76Å; G154-T157 VanDerWaalsContact O-OG1 3.06Å; L155-T157 PolarHBondContact O-N 2.93Å; T157-L160 WeakPolarHBondContact O-CB 3.27Å; T157-L160 PolarHBondContact O-N 3.07Å; T157-S161 PolarHBondContact O-N 3.1Å; T157-S161 VanDerWaalsContact O-N 3.11Å; T157-A195 HydrophobicContact CG2-CB 3.68Å; T157-E198 HydrophobicContact CG2-CB 3.84Å; T157-E198 HydrophobicContact CG2-CG 4.4Å; T157-L199 HydrophobicContact CG2-CD2 4.14Å; T157-L199 HydrophobicContact CG2-CG 4.38Å |
| 158 | R | 98.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 19.6 Ų | 19.6 | 17% | 0.174 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 168.7 | -174.9 | 60.2 | 173 | 143.3 | -5 | 112.2 | G154 L155 L160 S161 L162 E165 | G154-R158 PolarHBondContact O-N 3.42Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.16Å; R158-L160 PolarHBondContact O-N 3.49Å; R158-S161 PolarHBondContact NH1-OG 2.96Å; R158-S161 PolarHBondContact O-N 3.16Å; R158-S161 PolarHBondContact O-OG 2.84Å; R158-L162 HydrophobicContact CG-CD1 4.35Å; R158-L162 VanDerWaalsContact O-CG 3.32Å; R158-L162 WeakPolarHBondContact O-CG 3.28Å; R158-L162 PolarHBondContact O-N 2.8Å; R158-E165 IonicContact NH1-OE1 3.75Å; R158-E165 PolarHBondContact NH1-OE1 2.96Å |
| 159 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 174 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | V7 V9 I74 I124 L128 L143 L155 G156 L162 L163 | V7-V159 HydrophobicContact CG1-CG1 3.88Å; V9-V159 HydrophobicContact CG2-CG2 4.43Å; I74-V159 HydrophobicContact CD1-CG2 3.77Å; I124-V159 HydrophobicContact CD1-CG2 4.19Å; I124-V159 HydrophobicContact CG2-CG1 4.45Å; I124-V159 HydrophobicContact CG2-CG2 3.96Å; L128-V159 HydrophobicContact CD1-CG1 4.32Å; L143-V159 HydrophobicContact CD1-CG1 4.48Å; L155-V159 HydrophobicContact CG-CG2 4.46Å; L155-V159 VanDerWaalsContact O-CG2 3.3Å; L155-V159 WeakPolarHBondContact O-CG2 3.26Å; L155-V159 PolarHBondContact O-N 3.1Å; G156-V159 PolarHBondContact O-N 3.2Å; V159-L162 PolarHBondContact O-N 2.89Å; V159-L163 HydrophobicContact CG1-CD1 4.25Å; V159-L163 HydrophobicContact CG1-CG 4.42Å; V159-L163 WeakPolarHBondContact O-CG 3.47Å; V159-L163 PolarHBondContact O-N 3.33Å |
| 160 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.4 | -175.7 | 63.9 | 0 | 0 | 0 | 112.7 | L143 G156 T157 R158 L162 L163 E164 R172 V174 L199 H202 A203 | L143-L160 HydrophobicContact CD2-CB 3.79Å; L143-L160 HydrophobicContact CD2-CD1 4.18Å; L143-L160 HydrophobicContact CD2-CG 4.43Å; G156-L160 PolarHBondContact O-N 3.06Å; T157-L160 WeakPolarHBondContact O-CB 3.27Å; T157-L160 PolarHBondContact O-N 3.07Å; R158-L160 PolarHBondContact O-N 3.49Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 2.92Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 3.11Å; L160-E164 PolarHBondContact O-N 2.77Å; L160-E164 VanDerWaalsContact O-N 3.15Å; L160-R172 HydrophobicContact CD1-CB 4.02Å; L160-R172 HydrophobicContact CD1-CG 4.42Å; L160-V174 HydrophobicContact CD1-CG2 3.8Å; L160-V174 HydrophobicContact CD2-CG2 4.11Å; L160-L199 HydrophobicContact CD2-CD2 3.62Å; L160-H202 HydrophobicContact CD2-CB 3.92Å; L160-H202 HydrophobicContact CG-CB 3.72Å; L160-A203 HydrophobicContact CD2-CB 4.06Å |
| 161 | S | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 175.5 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | T157 R158 L163 E164 E165 | T157-S161 PolarHBondContact O-N 3.1Å; T157-S161 VanDerWaalsContact O-N 3.11Å; R158-S161 PolarHBondContact NH1-OG 2.96Å; R158-S161 PolarHBondContact O-N 3.16Å; R158-S161 PolarHBondContact O-OG 2.84Å; S161-L163 VanDerWaalsContact C-N 3.31Å; S161-L163 PolarHBondContact O-N 3.15Å; S161-E164 PolarHBondContact O-N 2.92Å; S161-E165 WeakPolarHBondContact O-CG 3.33Å; S161-E165 PolarHBondContact O-N 3.24Å |
| 162 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -33.8 | 174.4 | -66.2 | 173.3 | 0 | 0 | 0 | 113 | R121 I124 V125 R158 V159 L160 E165 E166 | R121-L162 HydrophobicContact CG-CD1 4.24Å; R121-L162 HydrophobicContact CG-CD2 3.88Å; I124-L162 HydrophobicContact CB-CD1 4.44Å; I124-L162 HydrophobicContact CG2-CD1 4.03Å; V125-L162 HydrophobicContact CG2-CB 4.4Å; V125-L162 HydrophobicContact CG2-CD1 4.26Å; V125-L162 HydrophobicContact CG2-CD2 4.16Å; R158-L162 HydrophobicContact CG-CD1 4.35Å; R158-L162 VanDerWaalsContact O-CG 3.32Å; R158-L162 WeakPolarHBondContact O-CG 3.28Å; R158-L162 PolarHBondContact O-N 2.8Å; V159-L162 PolarHBondContact O-N 2.89Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 2.92Å; L162-E165 PolarHBondContact O-N 3.3Å; L162-E166 WeakPolarHBondContact O-CB 3.29Å; L162-E166 VanDerWaalsContact O-CG 3.29Å; L162-E166 WeakPolarHBondContact O-CG 3.37Å; L162-E166 PolarHBondContact O-N 2.74Å |
| 163 | L | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.4 | -79.3 | 170 | 0 | 0 | 0 | 111.7 | L128 F141 V159 L160 S161 F167 R172 | L128-L163 HydrophobicContact CD1-CD2 3.83Å; L128-L163 HydrophobicContact CD1-CG 4.1Å; L128-L163 HydrophobicContact CD2-CD2 3.97Å; L128-L163 HydrophobicContact CG-CD2 4.37Å; F141-L163 HydrophobicContact CB-CD1 4.09Å; F141-L163 HydrophobicContact CB-CD2 4.34Å; F141-L163 HydrophobicContact CD1-CD2 3.63Å; F141-L163 HydrophobicContact CD2-CD2 3.71Å; F141-L163 HydrophobicContact CE1-CD2 3.71Å; F141-L163 HydrophobicContact CE2-CD2 3.77Å; F141-L163 HydrophobicContact CG-CD1 4.28Å; F141-L163 HydrophobicContact CG-CD2 3.63Å; F141-L163 HydrophobicContact CZ-CD2 3.76Å; V159-L163 HydrophobicContact CG1-CD1 4.25Å; V159-L163 HydrophobicContact CG1-CG 4.42Å; V159-L163 WeakPolarHBondContact O-CG 3.47Å; V159-L163 PolarHBondContact O-N 3.33Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 3.11Å; S161-L163 VanDerWaalsContact C-N 3.31Å; S161-L163 PolarHBondContact O-N 3.15Å; L163-F167 HydrophobicContact CD2-CD2 4.18Å; L163-F167 CarbonylContact O-C 3.54Å; L163-F167 WeakPolarHBondContact O-CA 3.41Å; L163-F167 WeakPolarHBondContact O-CB 3.39Å; L163-F167 PolarHBondContact O-N 3.03Å; L163-R172 HydrophobicContact CB-CG 4.36Å |
| 164 | E | 97.5 | Very high | 97.6 | Very high | 69 Ų | 69 | 28 Ų | 28 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 174.3 | -173.3 | -166.1 | -151 | 0 | 0 | 111.7 | L160 S161 E166 P168 H202 | L160-E164 PolarHBondContact O-N 2.77Å; L160-E164 VanDerWaalsContact O-N 3.15Å; S161-E164 PolarHBondContact O-N 2.92Å; E164-E166 VanDerWaalsContact C-N 3.31Å; E164-E166 PolarHBondContact O-N 2.89Å; E164-P168 WeakPolarHBondContact O-CA 3.49Å; E164-P168 WeakPolarHBondContact O-CD 3.49Å; E164-H202 IonicContact OE2-CE1 2.72Å; E164-H202 IonicContact OE2-CG 3.84Å; E164-H202 IonicContact OE2-ND1 2.67Å; E164-H202 PolarHBondContact OE2-ND1 3.47Å |
| 165 | E | 97.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 28 Ų | 28 | 45% | 0.449 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.1 | -43 | 177.4 | -75 | 175 | -150.8 | 0 | 0 | 111.8 | R121 R158 S161 L162 | R121-E165 IonicContact CZ-OE2 3.46Å; R121-E165 IonicContact NH2-OE2 2.68Å; R121-E165 PolarHBondContact NH2-OE2 3.38Å; R158-E165 IonicContact NH1-OE1 3.75Å; R158-E165 PolarHBondContact NH1-OE1 2.96Å; S161-E165 WeakPolarHBondContact O-CG 3.33Å; S161-E165 PolarHBondContact O-N 3.24Å; L162-E165 PolarHBondContact O-N 3.3Å |
| 166 | E | 97.7 | Very high | 97.7 | Very high | 51 Ų | 51 | 28 Ų | 28 | 24% | 0.238 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -92.7 | -31.4 | -172.7 | -66.8 | -71.1 | 155.6 | 0 | 0 | 113.8 | V125 R129 L162 E164 | V125-E166 HydrophobicContact CG1-CG 3.93Å; V125-E166 HydrophobicContact CG2-CG 4.24Å; R129-E166 IonicContact CZ-OE1 3.83Å; R129-E166 IonicContact CZ-OE2 3.84Å; R129-E166 IonicContact NE-OE2 2.98Å; R129-E166 PolarHBondContact NE-OE2 3.4Å; R129-E166 IonicContact NH2-OE1 3.63Å; R129-E166 PolarHBondContact NH2-OE1 3.3Å; R129-E166 IonicContact NH2-OE2 2.9Å; R129-E166 PolarHBondContact NH2-OE2 3.15Å; L162-E166 WeakPolarHBondContact O-CB 3.29Å; L162-E166 VanDerWaalsContact O-CG 3.29Å; L162-E166 WeakPolarHBondContact O-CG 3.37Å; L162-E166 PolarHBondContact O-N 2.74Å; E164-E166 VanDerWaalsContact C-N 3.31Å; E164-E166 PolarHBondContact O-N 2.89Å |
| 167 | F | 97.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 28.1 Ų | 28.1 | 16% | 0.158 | 14% | 0.143 | C | C | . | . | trans | -134.2 | 60.9 | -175.5 | -51.8 | -80.9 | 0 | 0 | 0 | 111.5 | L128 R129 A132 F141 L163 D169 V170 | L128-F167 HydrophobicContact CB-CE2 4.18Å; R129-F167 HydrophobicContact CG-CZ 4Å; A132-F167 HydrophobicContact CB-CE1 3.72Å; A132-F167 HydrophobicContact CB-CZ 3.82Å; F141-F167 HydrophobicContact CE2-CB 3.82Å; F141-F167 HydrophobicContact CE2-CD1 4.38Å; F141-F167 AromaticContact CE2-CD2 3.67Å; F141-F167 HydrophobicContact CE2-CD2 3.67Å; F141-F167 HydrophobicContact CE2-CE2 4.35Å; F141-F167 AromaticContact CE2-CG 3.7Å; F141-F167 HydrophobicContact CE2-CG 3.7Å; F141-F167 HydrophobicContact CZ-CD1 4.45Å; F141-F167 AromaticContact CZ-CD2 3.68Å; F141-F167 HydrophobicContact CZ-CD2 3.68Å; F141-F167 AromaticContact CZ-CE2 3.89Å; F141-F167 HydrophobicContact CZ-CE2 3.89Å; F141-F167 AromaticContact CZ-CG 4Å; F141-F167 HydrophobicContact CZ-CG 4Å; F141-F167 HydrophobicContact CZ-CZ 4.36Å; L163-F167 HydrophobicContact CD2-CD2 4.18Å; L163-F167 CarbonylContact O-C 3.54Å; L163-F167 WeakPolarHBondContact O-CA 3.41Å; L163-F167 WeakPolarHBondContact O-CB 3.39Å; L163-F167 PolarHBondContact O-N 3.03Å; F167-D169 PolarHBondContact O-N 2.88Å; F167-V170 HydrophobicContact CB-CB 3.98Å; F167-V170 HydrophobicContact CB-CG2 3.92Å; F167-V170 PolarHBondContact O-N 3.18Å | ||
| 168 | P | 96.2 | Very high | 97.5 | Very high | 76 Ų | 76 | 28.4 Ų | 28.4 | 49% | 0.494 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35 | -172.3 | 22.9 | -34.3 | 0 | 0 | 0 | 113.1 | E164 V170 R172 | E164-P168 WeakPolarHBondContact O-CA 3.49Å; E164-P168 WeakPolarHBondContact O-CD 3.49Å; P168-V170 VanDerWaalsContact C-N 3.33Å; P168-V170 PolarHBondContact O-N 3.26Å; P168-R172 PolarHBondContact O-NH1 2.7Å |
| 169 | D | 94.3 | Very high | 97.3 | Very high | 159 Ų | 159 | 26.7 Ų | 26.7 | 85% | 0.85 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6 | -177.4 | -58.6 | -46.7 | 0 | 0 | 0 | 114 | F167 | F167-D169 PolarHBondContact O-N 2.88Š|
| 170 | V | 96.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 15% | 0.145 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -100.4 | 118.7 | -174.5 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | L138 F141 F167 P168 R172 | L138-V170 HydrophobicContact CD2-CG1 3.97Å; L138-V170 HydrophobicContact CD2-CG2 4.13Å; L138-V170 HydrophobicContact CG-CG1 3.88Å; L138-V170 HydrophobicContact CG-CG2 4.49Å; F141-V170 HydrophobicContact CD2-CB 4.22Å; F141-V170 HydrophobicContact CD2-CG1 3.58Å; F141-V170 HydrophobicContact CE2-CB 4.11Å; F141-V170 HydrophobicContact CE2-CG1 3.7Å; F167-V170 HydrophobicContact CB-CB 3.98Å; F167-V170 HydrophobicContact CB-CG2 3.92Å; F167-V170 PolarHBondContact O-N 3.18Å; P168-V170 VanDerWaalsContact C-N 3.33Å; P168-V170 PolarHBondContact O-N 3.26Å; V170-R172 PolarHBondContact O-N 3.47Å; V170-R172 PolarHBondContact O-NH1 3.37Å |
| 171 | C | 95.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 135 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 113.6 | C140 F141 D204 N283 | C140-C171 CarbonylContact C-O 3.59Å; C140-C171 WeakPolarHBondContact CA-O 3.19Å; C140-C171 HydrophobicContact CB-CB 4Å; C140-C171 VanDerWaalsContact CB-O 3.22Å; C140-C171 WeakPolarHBondContact CB-O 3.4Å; F141-C171 PolarHBondContact N-O 2.94Å; C171-D204 VanDerWaalsContact CA-OD2 3.28Å; C171-D204 WeakPolarHBondContact CA-OD2 3.37Å; C171-N283 WeakPolarHBondContact CB-OD1 3.47Å |
| 172 | R | 97.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 100.4 | -178.6 | -65 | 158.4 | -55.8 | -66.7 | -1.2 | 109.3 | L160 L163 P168 V170 H202 D204 C205 | L160-R172 HydrophobicContact CD1-CB 4.02Å; L160-R172 HydrophobicContact CD1-CG 4.42Å; L163-R172 HydrophobicContact CB-CG 4.36Å; P168-R172 PolarHBondContact O-NH1 2.7Å; V170-R172 PolarHBondContact O-N 3.47Å; V170-R172 PolarHBondContact O-NH1 3.37Å; R172-H202 PolarHBondContact NE-O 3Å; R172-D204 IonicContact CZ-OD1 2.68Å; R172-D204 IonicContact CZ-OD2 2.88Å; R172-D204 PolarHBondContact N-OD2 2.89Å; R172-D204 IonicContact NE-OD2 3.18Å; R172-D204 IonicContact NH1-OD2 3.88Å; R172-D204 PolarHBondContact NH1-OD2 2.65Å; R172-D204 VanDerWaalsContact NH1-OD2 3.09Å; R172-D204 IonicContact NH2-OD1 3.26Å; R172-D204 PolarHBondContact NH2-OD1 3.4Å; R172-D204 IonicContact NH2-OD2 3.45Å; R172-D204 PolarHBondContact NH2-OD2 3.42Å; R172-D204 PolarHBondContact O-N 3.4Å; R172-C205 PolarHBondContact O-N 2.89Å |
| 173 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.4 | 176.6 | -57.8 | 176.8 | 0 | 0 | 0 | 108.8 | F141 F142 L143 C205 L207 I268 L282 | F141-I173 PolarHBondContact O-N 3.32Å; F142-I173 CarbonylContact C-O 3.57Å; F142-I173 WeakPolarHBondContact CA-O 3.02Å; F142-I173 HydrophobicContact CD1-CB 3.91Å; F142-I173 HydrophobicContact CD1-CG2 3.97Å; F142-I173 HydrophobicContact CE1-CB 3.93Å; F142-I173 HydrophobicContact CE1-CD1 3.89Å; F142-I173 HydrophobicContact CE1-CG1 4.48Å; F142-I173 HydrophobicContact CE1-CG2 3.85Å; F142-I173 HydrophobicContact CZ-CD1 4.08Å; L143-I173 PolarHBondContact N-O 3.4Å; I173-C205 HydrophobicContact CG1-CB 4.43Å; I173-L207 HydrophobicContact CG2-CD1 3.93Å; I173-L207 HydrophobicContact CG2-CG 4.15Å; I173-I268 HydrophobicContact CG2-CD1 4.47Å; I173-L282 HydrophobicContact CD1-CB 4.25Å; I173-L282 HydrophobicContact CD1-CD2 4.45Å |
| 174 | V | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.2 | -176.3 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | L143 L160 A176 L199 A203 C205 V206 L207 | L143-V174 HydrophobicContact CB-CG1 4.31Å; L143-V174 HydrophobicContact CB-CG2 4.24Å; L143-V174 HydrophobicContact CD2-CG1 4.22Å; L143-V174 HydrophobicContact CD2-CG2 4.34Å; L143-V174 HydrophobicContact CG-CG1 4.35Å; L143-V174 CarbonylContact O-C 3.56Å; L143-V174 WeakPolarHBondContact O-CA 3.39Å; L160-V174 HydrophobicContact CD1-CG2 3.8Å; L160-V174 HydrophobicContact CD2-CG2 4.11Å; V174-A176 HydrophobicContact CG1-CB 4.38Å; V174-L199 HydrophobicContact CB-CD2 4.4Å; V174-L199 HydrophobicContact CG1-CD2 3.82Å; V174-L199 HydrophobicContact CG2-CD2 4.34Å; V174-A203 HydrophobicContact CG2-CB 3.73Å; V174-C205 PolarHBondContact N-O 3.31Å; V174-V206 HydrophobicContact CB-CG2 4.37Å; V174-V206 CarbonylContact O-C 3.47Å; V174-V206 WeakPolarHBondContact O-CA 3.22Å; V174-L207 PolarHBondContact O-N 3.09Å |
| 175 | T | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 107.4 | 166.2 | -55.1 | 0 | 0 | 0 | 0 | 108.6 | L143 H145 M177 V209 V261 L264 L265 | L143-T175 PolarHBondContact O-N 3.48Å; H145-T175 PolarHBondContact N-O 3.47Å; T175-M177 HydrophobicContact CG2-SD 4Å; T175-V209 HydrophobicContact CG2-CG2 4.21Å; T175-V261 HydrophobicContact CG2-CG1 3.79Å; T175-L264 HydrophobicContact CG2-CD2 4.35Å; T175-L265 WeakPolarHBondContact OG1-CD2 3.03Å |
| 176 | A | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M147 V174 Y178 L199 V206 L207 V209 | M147-A176 HydrophobicContact CG-CB 4.08Å; M147-A176 HydrophobicContact SD-CB 4.02Å; V174-A176 HydrophobicContact CG1-CB 4.38Å; A176-Y178 HydrophobicContact CB-CE2 4.15Å; A176-Y178 WeakPolarHBondContact O-CD2 3.21Å; A176-Y178 PolarHBondContact O-N 2.8Å; A176-L199 HydrophobicContact CB-CD1 3.96Å; A176-V206 HydrophobicContact CB-CG1 4.1Å; A176-L207 PolarHBondContact N-O 3.46Å; A176-L207 VanDerWaalsContact N-O 3.14Å; A176-V209 PolarHBondContact O-N 2.92Å |
| 177 | M | 97.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 107.3 | 179.5 | -75.8 | 74 | 93.8 | 0 | 0 | 111.2 | C12 V16 I144 H145 M147 T175 V209 V261 | C12-M177 WeakPolarHBondContact SG-CE 3.46Å; V16-M177 HydrophobicContact CB-CE 4.03Å; V16-M177 HydrophobicContact CG1-CE 4.41Å; V16-M177 HydrophobicContact CG2-CE 3.58Å; I144-M177 HydrophobicContact CG2-CE 3.53Å; I144-M177 HydrophobicContact CG2-SD 4.4Å; H145-M177 PolarHBondContact O-N 2.73Å; M147-M177 PolarHBondContact N-O 3.03Å; T175-M177 HydrophobicContact CG2-SD 4Å; M177-V209 CarbonylContact C-O 3.5Å; M177-V209 WeakPolarHBondContact CA-O 3.42Å; M177-V261 HydrophobicContact SD-CG1 4.4Å |
| 178 | Y | 96 | Very high | 92.1 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134.1 | 177.6 | -77.2 | -104.6 | 0 | 0 | 0 | 111.3 | M147 A176 P208 V209 N211 L411 | M147-Y178 HydrophobicContact CG-CD2 4.19Å; M147-Y178 HydrophobicContact CG-CE2 4.19Å; M147-Y178 HydrophobicContact CG-CG 4.37Å; A176-Y178 HydrophobicContact CB-CE2 4.15Å; A176-Y178 WeakPolarHBondContact O-CD2 3.21Å; A176-Y178 PolarHBondContact O-N 2.8Å; Y178-P208 HydrophobicContact CD2-CB 4.01Å; Y178-P208 HydrophobicContact CE2-CB 3.59Å; Y178-V209 PolarHBondContact N-O 2.84Å; Y178-N211 PolarHBondContact O-N 2.79Å; Y178-N211 VanDerWaalsContact O-N 3.11Å; Y178-L411 HydrophobicContact CE1-CD2 4.2Å |
| 179 | P | 93.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 149.8 | 177.4 | 30.9 | -36.5 | 0 | 0 | 0 | 111 | D183 S192 | P179-D183 HydrophobicContact CB-CB 4.11Å; P179-D183 WeakPolarHBondContact CB-OD2 3.22Å; P179-S192 WeakPolarHBondContact CG-OG 3.43Å |
| 180 | S | 88.4 | Confident | 92.3 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 170.5 | 171.7 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | D183 R414 | S180-D183 PolarHBondContact OG-N 2.84Å; S180-R414 PolarHBondContact O-NH1 2.99Å; S180-R414 PolarHBondContact O-NH2 3.17Å |
| 181 | A | 77.7 | Confident | 92.4 | Very high | 50 Ų | 50 | 31 Ų | 31 | 41% | 0.413 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -31.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 182 | E | 75.7 | Confident | 92.5 | Very high | 174 Ų | 174 | 30.6 Ų | 30.6 | 81% | 0.813 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 31.3 | -178 | -58.6 | -179.2 | -179.6 | 0 | 0 | 112.1 | ||
| 183 | D | 77 | Confident | 92.5 | Very high | 50 Ų | 50 | 30 Ų | 30 | 27% | 0.267 | 16% | 0.163 | S | C | . | . | trans | -74.6 | 143 | -179.7 | -165.3 | 12.6 | 0 | 0 | 0 | 111.5 | P179 S180 V185 | P179-D183 HydrophobicContact CB-CB 4.11Å; P179-D183 WeakPolarHBondContact CB-OD2 3.22Å; S180-D183 PolarHBondContact OG-N 2.84Å; D183-V185 PolarHBondContact O-N 3.15Å | ||
| 184 | D | 81.4 | Confident | 92.5 | Very high | 161 Ų | 161 | 30.1 Ų | 30.1 | 86% | 0.861 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -65.7 | -23.4 | -178.5 | -70.8 | -36.2 | 0 | 0 | 0 | 111.9 | I186 | D184-I186 PolarHBondContact O-N 2.91Š|
| 185 | V | 90.5 | Very high | 92.5 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 15% | 0.152 | 16% | 0.164 | C | C | . | . | trans | -85.5 | 99.9 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | N107 D183 T187 S188 | N107-V185 HydrophobicContact CB-CG1 3.69Å; N107-V185 HydrophobicContact CB-CG2 4.42Å; D183-V185 PolarHBondContact O-N 3.15Å; V185-T187 PolarHBondContact O-N 2.88Å; V185-S188 WeakPolarHBondContact O-CB 3.46Å; V185-S188 PolarHBondContact O-N 2.83Å; V185-S188 PolarHBondContact O-OG 3.27Å | ||
| 186 | I | 92.1 | Very high | 92.5 | Very high | 110 Ų | 110 | 30.2 Ų | 30.2 | 56% | 0.564 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.4 | 179.1 | -60.8 | 167.5 | 0 | 0 | 0 | 112.1 | D184 S188 P189 L418 | D184-I186 PolarHBondContact O-N 2.91Å; I186-S188 VanDerWaalsContact C-N 3.3Å; I186-S188 PolarHBondContact O-N 3.39Å; I186-P189 WeakPolarHBondContact O-CD 3.4Å; I186-L418 HydrophobicContact CG2-CD2 4.45Å; I186-L418 WeakPolarHBondContact O-CD1 3.46Å |
| 187 | T | 94.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.1 | -178.1 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | N107 V185 P189 Y190 N191 H424 Y428 | N107-T187 PolarHBondContact O-OG1 2.94Å; V185-T187 PolarHBondContact O-N 2.88Å; T187-P189 VanDerWaalsContact C-N 3.26Å; T187-P189 VanDerWaalsContact O-N 3.14Å; T187-Y190 WeakPolarHBondContact O-CB 3.21Å; T187-Y190 PolarHBondContact O-N 3.42Å; T187-N191 PolarHBondContact O-N 3.07Å; T187-H424 HydrophobicContact CG2-CB 3.6Å; T187-Y428 VanDerWaalsContact CB-OH 3.3Å; T187-Y428 WeakPolarHBondContact CB-OH 3.15Å; T187-Y428 HydrophobicContact CG2-CE2 4.28Å |
| 188 | S | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.7 | -32.4 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | V185 I186 N191 S192 | V185-S188 WeakPolarHBondContact O-CB 3.46Å; V185-S188 PolarHBondContact O-N 2.83Å; V185-S188 PolarHBondContact O-OG 3.27Å; I186-S188 VanDerWaalsContact C-N 3.3Å; I186-S188 PolarHBondContact O-N 3.39Å; S188-N191 PolarHBondContact O-N 2.65Å; S188-S192 VanDerWaalsContact O-CB 3.27Å; S188-S192 WeakPolarHBondContact O-CB 3.48Å; S188-S192 PolarHBondContact O-N 2.94Å; S188-S192 PolarHBondContact O-OG 2.94Å |
| 189 | P | 96.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -36 | 175.2 | -22 | 36.4 | 0 | 0 | 0 | 113 | I186 T187 V193 L411 R414 F415 L418 | I186-P189 WeakPolarHBondContact O-CD 3.4Å; T187-P189 VanDerWaalsContact C-N 3.26Å; T187-P189 VanDerWaalsContact O-N 3.14Å; P189-V193 VanDerWaalsContact O-CG2 3.32Å; P189-V193 WeakPolarHBondContact O-CG2 3.33Å; P189-V193 PolarHBondContact O-N 3.27Å; P189-L411 HydrophobicContact CB-CD1 4.32Å; P189-R414 HydrophobicContact CB-CB 3.97Å; P189-R414 HydrophobicContact CG-CB 3.88Å; P189-F415 HydrophobicContact CB-CB 4.29Å; P189-L418 HydrophobicContact CB-CD1 4.05Å; P189-L418 HydrophobicContact CG-CD1 3.69Å |
| 190 | Y | 97.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -50.2 | 173.9 | -69.2 | -29 | 0 | 0 | 0 | 111 | T187 S192 V193 L194 F415 L418 Y419 A423 Y428 F439 | T187-Y190 WeakPolarHBondContact O-CB 3.21Å; T187-Y190 PolarHBondContact O-N 3.42Å; Y190-S192 VanDerWaalsContact C-N 3.27Å; Y190-S192 PolarHBondContact O-N 3.08Å; Y190-V193 PolarHBondContact O-N 3.38Å; Y190-L194 WeakPolarHBondContact O-CB 3.27Å; Y190-L194 VanDerWaalsContact O-CG 3.29Å; Y190-L194 WeakPolarHBondContact O-CG 3.3Å; Y190-L194 PolarHBondContact O-N 2.75Å; Y190-F415 AromaticContact CD1-CD2 3.56Å; Y190-F415 HydrophobicContact CD1-CD2 3.56Å; Y190-F415 AromaticContact CD1-CE2 3.52Å; Y190-F415 HydrophobicContact CD1-CE2 3.52Å; Y190-F415 HydrophobicContact CD1-CG 4.27Å; Y190-F415 HydrophobicContact CD1-CZ 4.18Å; Y190-F415 HydrophobicContact CE1-CD2 4.26Å; Y190-F415 HydrophobicContact CE1-CE2 4.19Å; Y190-F415 HydrophobicContact CE1-CZ 4.45Å; Y190-F415 HydrophobicContact CG-CE2 4.49Å; Y190-L418 HydrophobicContact CE1-CB 3.87Å; Y190-L418 HydrophobicContact CE2-CB 4.45Å; Y190-L418 PolarHBondContact OH-O 3.42Å; Y190-Y419 HydrophobicContact CE1-CD2 4.22Å; Y190-Y419 VanDerWaalsContact OH-CA 3.27Å; Y190-Y419 WeakPolarHBondContact OH-CA 3.28Å; Y190-Y419 PolarHBondContact OH-N 2.67Å; Y190-A423 WeakPolarHBondContact CE2-O 3.31Å; Y190-A423 PolarHBondContact OH-O 3.01Å; Y190-Y428 HydrophobicContact CD2-CD2 4.32Å; Y190-Y428 AromaticContact CD2-CE2 3.72Å; Y190-Y428 HydrophobicContact CD2-CE2 3.72Å; Y190-Y428 HydrophobicContact CE2-CE2 4.5Å; Y190-F439 HydrophobicContact CD1-CD1 4.2Å; Y190-F439 AromaticContact CD1-CE1 3.97Å; Y190-F439 HydrophobicContact CD1-CE1 3.97Å; Y190-F439 HydrophobicContact CD2-CE1 4.21Å; Y190-F439 HydrophobicContact CE1-CE1 4.42Å; Y190-F439 AromaticContact CG-CE1 3.86Å; Y190-F439 HydrophobicContact CG-CE1 3.86Å |
| 191 | N | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.5 | -45 | 178.7 | -67.2 | -18.6 | 0 | 0 | 0 | 111.3 | N107 W109 M147 G148 T187 S188 A195 Y428 | N107-N191 PolarHBondContact O-ND2 2.59Å; W109-N191 HydrophobicContact CB-CB 4.13Å; W109-N191 WeakPolarHBondContact CB-OD1 3.35Å; W109-N191 PolarHBondContact N-OD1 2.5Å; M147-N191 CarbonylContact O-C 3.56Å; M147-N191 WeakPolarHBondContact O-CB 3.46Å; G148-N191 PolarHBondContact O-ND2 2.8Å; T187-N191 PolarHBondContact O-N 3.07Å; S188-N191 PolarHBondContact O-N 2.65Å; N191-A195 WeakPolarHBondContact O-CB 3.43Å; N191-A195 PolarHBondContact O-N 2.79Å; N191-Y428 WeakPolarHBondContact OD1-CE1 3.46Å; N191-Y428 PolarHBondContact OD1-OH 2.97Å |
| 192 | S | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -42.7 | -177.5 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | M147 P179 S188 Y190 M196 | M147-S192 WeakPolarHBondContact CE-O 3.23Å; M147-S192 WeakPolarHBondContact O-CA 3.38Å; M147-S192 PolarHBondContact O-N 2.77Å; M147-S192 VanDerWaalsContact O-N 3.16Å; M147-S192 PolarHBondContact O-OG 3.36Å; M147-S192 VanDerWaalsContact O-OG 3.1Å; P179-S192 WeakPolarHBondContact CG-OG 3.43Å; S188-S192 VanDerWaalsContact O-CB 3.27Å; S188-S192 WeakPolarHBondContact O-CB 3.48Å; S188-S192 PolarHBondContact O-N 2.94Å; S188-S192 PolarHBondContact O-OG 2.94Å; Y190-S192 VanDerWaalsContact C-N 3.27Å; Y190-S192 PolarHBondContact O-N 3.08Å; S192-M196 WeakPolarHBondContact O-CB 3.48Å; S192-M196 PolarHBondContact O-N 2.74Å |
| 193 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.6 | -40.5 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | P189 Y190 M196 R197 L411 F415 A442 L446 | P189-V193 VanDerWaalsContact O-CG2 3.32Å; P189-V193 WeakPolarHBondContact O-CG2 3.33Å; P189-V193 PolarHBondContact O-N 3.27Å; Y190-V193 PolarHBondContact O-N 3.38Å; V193-M196 PolarHBondContact O-N 3.21Å; V193-R197 PolarHBondContact O-N 3.48Å; V193-L411 HydrophobicContact CG2-CD1 4.09Å; V193-L411 HydrophobicContact CG2-CD2 4.12Å; V193-L411 HydrophobicContact CG2-CG 3.79Å; V193-F415 HydrophobicContact CB-CD2 3.45Å; V193-F415 VanDerWaalsContact CB-CD2 3.45Å; V193-F415 HydrophobicContact CB-CE2 3.78Å; V193-F415 HydrophobicContact CB-CG 4.22Å; V193-F415 HydrophobicContact CG1-CD2 3.82Å; V193-F415 HydrophobicContact CG1-CE2 3.81Å; V193-F415 HydrophobicContact CG1-CG 4.38Å; V193-F415 HydrophobicContact CG1-CZ 4.39Å; V193-F415 HydrophobicContact CG2-CB 3.74Å; V193-F415 HydrophobicContact CG2-CD2 3.49Å; V193-F415 VanDerWaalsContact CG2-CD2 3.49Å; V193-F415 HydrophobicContact CG2-CE2 4.3Å; V193-F415 HydrophobicContact CG2-CG 3.83Å; V193-A442 HydrophobicContact CG1-CB 3.93Å; V193-L446 HydrophobicContact CG1-CD2 4.24Å; V193-L446 HydrophobicContact CG2-CD2 3.73Å |
| 194 | L | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 175 | -69.5 | 166.2 | 0 | 0 | 0 | 110.7 | W109 Y190 M196 R197 Y428 M434 F439 A442 | W109-L194 HydrophobicContact CB-CD1 4.33Å; W109-L194 HydrophobicContact CD2-CB 3.62Å; W109-L194 HydrophobicContact CD2-CD1 4.01Å; W109-L194 HydrophobicContact CD2-CG 4.39Å; W109-L194 HydrophobicContact CE3-CB 3.95Å; W109-L194 HydrophobicContact CE3-CD1 3.69Å; W109-L194 HydrophobicContact CE3-CG 4.27Å; W109-L194 HydrophobicContact CG-CB 3.94Å; W109-L194 HydrophobicContact CG-CD1 4.28Å; W109-L194 HydrophobicContact CH2-CB 4.47Å; W109-L194 HydrophobicContact CZ2-CB 4.17Å; W109-L194 HydrophobicContact CZ3-CB 4.36Å; W109-L194 HydrophobicContact CZ3-CD1 4.35Å; W109-L194 HydrophobicContact CZ3-CD2 4.46Å; Y190-L194 WeakPolarHBondContact O-CB 3.27Å; Y190-L194 VanDerWaalsContact O-CG 3.29Å; Y190-L194 WeakPolarHBondContact O-CG 3.3Å; Y190-L194 PolarHBondContact O-N 2.75Å; L194-M196 VanDerWaalsContact C-N 3.32Å; L194-M196 PolarHBondContact O-N 2.9Å; L194-R197 WeakPolarHBondContact O-CB 3.44Å; L194-R197 PolarHBondContact O-N 2.86Å; L194-Y428 HydrophobicContact CD1-CD1 4.28Å; L194-Y428 HydrophobicContact CD1-CE1 4.21Å; L194-M434 HydrophobicContact CD1-CE 4Å; L194-M434 HydrophobicContact CD2-CE 3.92Å; L194-F439 HydrophobicContact CD1-CE1 4.01Å; L194-F439 HydrophobicContact CD1-CZ 4.26Å; L194-A442 HydrophobicContact CD2-CB 3.93Å |
| 195 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M147 T157 N191 R197 E198 L199 | M147-A195 HydrophobicContact CE-CB 3.63Å; M147-A195 HydrophobicContact SD-CB 3.96Å; T157-A195 HydrophobicContact CG2-CB 3.68Å; N191-A195 WeakPolarHBondContact O-CB 3.43Å; N191-A195 PolarHBondContact O-N 2.79Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 PolarHBondContact O-N 3.32Å; A195-E198 WeakPolarHBondContact O-CB 3.35Å; A195-E198 PolarHBondContact O-N 2.94Å; A195-E198 VanDerWaalsContact O-N 3.14Å; A195-L199 WeakPolarHBondContact O-CG 3.28Å; A195-L199 PolarHBondContact O-N 3.26Å |
| 196 | M | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -30.2 | -178 | -170.3 | 172.3 | 176.1 | 0 | 0 | 112.6 | M147 S192 V193 L194 L199 T200 Y297 F408 L411 L446 L449 | M147-M196 HydrophobicContact CE-CB 3.89Å; S192-M196 WeakPolarHBondContact O-CB 3.48Å; S192-M196 PolarHBondContact O-N 2.74Å; V193-M196 PolarHBondContact O-N 3.21Å; L194-M196 VanDerWaalsContact C-N 3.32Å; L194-M196 PolarHBondContact O-N 2.9Å; M196-L199 PolarHBondContact O-N 3.08Å; M196-T200 WeakPolarHBondContact O-CB 3.31Å; M196-T200 PolarHBondContact O-N 2.92Å; M196-T200 PolarHBondContact O-OG1 3.32Å; M196-Y297 HydrophobicContact CE-CE1 4.01Å; M196-Y297 HydrophobicContact CE-CE2 4.24Å; M196-Y297 VanDerWaalsContact CG-OH 3.28Å; M196-Y297 WeakPolarHBondContact CG-OH 3.37Å; M196-Y297 PolarHBondContact O-OH 3.3Å; M196-F408 HydrophobicContact CE-CD1 3.54Å; M196-F408 HydrophobicContact CE-CD2 3.67Å; M196-F408 HydrophobicContact CE-CE1 3.37Å; M196-F408 HydrophobicContact CE-CE2 3.49Å; M196-F408 VanDerWaalsContact CE-CE2 3.49Å; M196-F408 HydrophobicContact CE-CG 3.7Å; M196-F408 HydrophobicContact CE-CZ 3.34Å; M196-F408 HydrophobicContact SD-CD1 4.24Å; M196-F408 HydrophobicContact SD-CE1 4.32Å; M196-L411 HydrophobicContact SD-CD2 4.06Å; M196-L446 HydrophobicContact CE-CD1 3.67Å; M196-L446 HydrophobicContact SD-CD1 3.56Å; M196-L446 VanDerWaalsContact SD-CD1 3.56Å; M196-L449 HydrophobicContact CE-CD2 3.45Å; M196-L449 VanDerWaalsContact CE-CD2 3.45Å |
| 197 | R | 98 | Very high | 97.6 | Very high | 66 Ų | 66 | 15.7 Ų | 15.7 | 25% | 0.249 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.4 | -53.3 | 169.5 | 176.2 | -165.6 | 171.8 | 161.4 | 4.5 | 110.4 | V193 L194 A195 L199 T200 E201 E441 A442 | V193-R197 PolarHBondContact O-N 3.48Å; L194-R197 WeakPolarHBondContact O-CB 3.44Å; L194-R197 PolarHBondContact O-N 2.86Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 PolarHBondContact O-N 3.32Å; R197-L199 VanDerWaalsContact C-N 3.33Å; R197-L199 PolarHBondContact O-N 3.44Å; R197-T200 PolarHBondContact O-N 3.17Å; R197-E201 PolarHBondContact O-N 3.32Å; R197-E201 VanDerWaalsContact O-N 3.11Å; R197-E441 IonicContact CZ-OE2 2.71Å; R197-E441 IonicContact NH1-OE2 3.3Å; R197-E441 PolarHBondContact NH1-OE2 3.33Å; R197-E441 IonicContact NH2-OE2 2.81Å; R197-E441 PolarHBondContact NH2-OE2 2.75Å; R197-E441 VanDerWaalsContact NH2-OE2 3.13Å; R197-A442 HydrophobicContact CB-CB 4.18Å |
| 198 | E | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 14.8 Ų | 14.8 | 12% | 0.121 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | -178.9 | -54.3 | -65.8 | 127.6 | 0 | 0 | 111.9 | W109 T157 A195 E201 H202 | W109-E198 HydrophobicContact CZ2-CG 3.95Å; T157-E198 HydrophobicContact CG2-CB 3.84Å; T157-E198 HydrophobicContact CG2-CG 4.4Å; A195-E198 WeakPolarHBondContact O-CB 3.35Å; A195-E198 PolarHBondContact O-N 2.94Å; A195-E198 VanDerWaalsContact O-N 3.14Å; E198-E201 PolarHBondContact O-N 2.97Å; E198-H202 WeakPolarHBondContact O-CB 3.47Å; E198-H202 PolarHBondContact O-CD2 3.32Å; E198-H202 VanDerWaalsContact O-CD2 3.24Å; E198-H202 PolarHBondContact O-N 3.21Å; E198-H202 IonicContact OE2-CD2 3.14Å; E198-H202 IonicContact OE2-NE2 2.66Å; E198-H202 PolarHBondContact OE2-NE2 2.98Å |
| 199 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 173.6 | -68.2 | -171.4 | 0 | 0 | 0 | 111.3 | M147 T157 L160 V174 A176 A195 M196 R197 E201 A203 V206 H296 | M147-L199 HydrophobicContact CE-CD1 3.62Å; M147-L199 HydrophobicContact CE-CG 4.4Å; M147-L199 HydrophobicContact SD-CD1 3.6Å; M147-L199 HydrophobicContact SD-CG 4.47Å; T157-L199 HydrophobicContact CG2-CD2 4.14Å; T157-L199 HydrophobicContact CG2-CG 4.38Å; L160-L199 HydrophobicContact CD2-CD2 3.62Å; V174-L199 HydrophobicContact CB-CD2 4.4Å; V174-L199 HydrophobicContact CG1-CD2 3.82Å; V174-L199 HydrophobicContact CG2-CD2 4.34Å; A176-L199 HydrophobicContact CB-CD1 3.96Å; A195-L199 WeakPolarHBondContact O-CG 3.28Å; A195-L199 PolarHBondContact O-N 3.26Å; M196-L199 PolarHBondContact O-N 3.08Å; R197-L199 VanDerWaalsContact C-N 3.33Å; R197-L199 PolarHBondContact O-N 3.44Å; L199-E201 PolarHBondContact O-N 3.14Å; L199-A203 WeakPolarHBondContact O-CB 3.32Å; L199-A203 PolarHBondContact O-N 3.42Å; L199-A203 VanDerWaalsContact O-N 3.08Å; L199-V206 HydrophobicContact CB-CG2 4.13Å; L199-V206 HydrophobicContact CD1-CG1 4.18Å; L199-V206 HydrophobicContact CD1-CG2 4.4Å; L199-H296 PolarHBondContact O-CE1 3.23Å; L199-H296 PolarHBondContact O-NE2 3.32Å |
| 200 | T | 97.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 15 Ų | 15 | 7% | 0.074 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.6 | -24.8 | 179.5 | -73.8 | 0 | 0 | 0 | 0 | 113.3 | M196 R197 R294 H296 Y297 | M196-T200 WeakPolarHBondContact O-CB 3.31Å; M196-T200 PolarHBondContact O-N 2.92Å; M196-T200 PolarHBondContact O-OG1 3.32Å; R197-T200 PolarHBondContact O-N 3.17Å; T200-R294 HydrophobicContact CG2-CB 4.16Å; T200-R294 HydrophobicContact CG2-CG 4.21Å; T200-H296 PolarHBondContact O-CE1 3.44Å; T200-Y297 WeakPolarHBondContact OG1-CE2 3.36Å; T200-Y297 PolarHBondContact OG1-OH 3.47Å |
| 201 | E | 96.9 | Very high | 97.5 | Very high | 117 Ų | 117 | 16.9 Ų | 16.9 | 55% | 0.547 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -88.3 | -43.8 | -179.5 | -165.5 | 161.9 | 174.7 | 0 | 0 | 112.3 | R197 E198 L199 | R197-E201 PolarHBondContact O-N 3.32Å; R197-E201 VanDerWaalsContact O-N 3.11Å; E198-E201 PolarHBondContact O-N 2.97Å; L199-E201 PolarHBondContact O-N 3.14Å |
| 202 | H | 98 | Very high | 97.2 | Very high | 22 Ų | 22 | 18.7 Ų | 18.7 | 10% | 0.102 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -110.6 | -16.4 | -164.3 | -55.7 | -57.7 | 0 | 0 | 0 | 115 | L160 E164 R172 E198 | L160-H202 HydrophobicContact CD2-CB 3.92Å; L160-H202 HydrophobicContact CG-CB 3.72Å; E164-H202 IonicContact OE2-CE1 2.72Å; E164-H202 IonicContact OE2-CG 3.84Å; E164-H202 IonicContact OE2-ND1 2.67Å; E164-H202 PolarHBondContact OE2-ND1 3.47Å; R172-H202 PolarHBondContact NE-O 3Å; E198-H202 WeakPolarHBondContact O-CB 3.47Å; E198-H202 PolarHBondContact O-CD2 3.32Å; E198-H202 VanDerWaalsContact O-CD2 3.24Å; E198-H202 PolarHBondContact O-N 3.21Å; E198-H202 IonicContact OE2-CD2 3.14Å; E198-H202 IonicContact OE2-NE2 2.66Å; E198-H202 PolarHBondContact OE2-NE2 2.98Å |
| 203 | A | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 19 Ų | 19 | 7% | 0.066 | 9% | 0.092 | C | C | . | . | trans | -86.3 | 141 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L160 V174 L199 V206 H296 | L160-A203 HydrophobicContact CD2-CB 4.06Å; V174-A203 HydrophobicContact CG2-CB 3.73Å; L199-A203 WeakPolarHBondContact O-CB 3.32Å; L199-A203 PolarHBondContact O-N 3.42Å; L199-A203 VanDerWaalsContact O-N 3.08Å; A203-V206 HydrophobicContact CB-CG2 3.69Å; A203-H296 PolarHBondContact O-CE1 3.33Å; A203-H296 VanDerWaalsContact O-CE1 3.27Å; A203-H296 PolarHBondContact O-ND1 3.37Å | ||
| 204 | D | 97.1 | Very high | 96.7 | Very high | 50 Ų | 50 | 19.1 Ų | 19.1 | 27% | 0.267 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -80.1 | -29.3 | 168 | -57.8 | -65.9 | 0 | 0 | 0 | 111.6 | C171 R172 A286 H296 | C171-D204 VanDerWaalsContact CA-OD2 3.28Å; C171-D204 WeakPolarHBondContact CA-OD2 3.37Å; R172-D204 IonicContact CZ-OD1 2.68Å; R172-D204 IonicContact CZ-OD2 2.88Å; R172-D204 PolarHBondContact N-OD2 2.89Å; R172-D204 IonicContact NE-OD2 3.18Å; R172-D204 IonicContact NH1-OD2 3.88Å; R172-D204 PolarHBondContact NH1-OD2 2.65Å; R172-D204 VanDerWaalsContact NH1-OD2 3.09Å; R172-D204 IonicContact NH2-OD1 3.26Å; R172-D204 PolarHBondContact NH2-OD1 3.4Å; R172-D204 IonicContact NH2-OD2 3.45Å; R172-D204 PolarHBondContact NH2-OD2 3.42Å; R172-D204 PolarHBondContact O-N 3.4Å; D204-A286 HydrophobicContact CB-CB 4.06Å; D204-H296 WeakPolarHBondContact O-CB 3.42Å |
| 205 | C | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 130.9 | -177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | R172 I173 V174 L298 | R172-C205 PolarHBondContact O-N 2.89Å; I173-C205 HydrophobicContact CG1-CB 4.43Å; V174-C205 PolarHBondContact N-O 3.31Å; C205-L298 WeakPolarHBondContact SG-CD1 3.49Å |
| 206 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.7 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | V174 A176 L199 A203 P208 H296 Y297 L298 | V174-V206 HydrophobicContact CB-CG2 4.37Å; V174-V206 CarbonylContact O-C 3.47Å; V174-V206 WeakPolarHBondContact O-CA 3.22Å; A176-V206 HydrophobicContact CB-CG1 4.1Å; L199-V206 HydrophobicContact CB-CG2 4.13Å; L199-V206 HydrophobicContact CD1-CG1 4.18Å; L199-V206 HydrophobicContact CD1-CG2 4.4Å; A203-V206 HydrophobicContact CB-CG2 3.69Å; V206-P208 WeakPolarHBondContact O-CD 3.39Å; V206-H296 PolarHBondContact N-O 2.84Å; V206-Y297 HydrophobicContact CB-CD1 3.75Å; V206-Y297 HydrophobicContact CB-CE1 3.95Å; V206-Y297 HydrophobicContact CB-CG 4.4Å; V206-Y297 HydrophobicContact CG1-CD1 3.69Å; V206-Y297 HydrophobicContact CG1-CE1 3.77Å; V206-Y297 HydrophobicContact CG2-CD1 4.43Å; V206-Y297 HydrophobicContact CG2-CE1 4.17Å; V206-Y297 WeakPolarHBondContact O-CA 3.33Å; V206-L298 PolarHBondContact O-N 3.04Å |
| 207 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 89.4 | 171.9 | -53.5 | -179.4 | 0 | 0 | 0 | 108 | I173 V174 A176 V209 L264 I268 L298 L398 | I173-L207 HydrophobicContact CG2-CD1 3.93Å; I173-L207 HydrophobicContact CG2-CG 4.15Å; V174-L207 PolarHBondContact O-N 3.09Å; A176-L207 PolarHBondContact N-O 3.46Å; A176-L207 VanDerWaalsContact N-O 3.14Å; L207-V209 PolarHBondContact O-N 3.31Å; L207-L264 HydrophobicContact CB-CD2 4.48Å; L207-L264 HydrophobicContact CD1-CD2 4.4Å; L207-I268 HydrophobicContact CD1-CD1 3.74Å; L207-L298 HydrophobicContact CD2-CB 4.01Å; L207-L298 HydrophobicContact CD2-CD1 4.47Å; L207-L398 HydrophobicContact CD2-CD2 4.01Å |
| 208 | P | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.9 | 178.6 | 30.6 | -36.4 | 0 | 0 | 0 | 110.4 | Y178 V206 L298 P300 I333 | Y178-P208 HydrophobicContact CD2-CB 4.01Å; Y178-P208 HydrophobicContact CE2-CB 3.59Å; V206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-L298 WeakPolarHBondContact CD-O 3.46Å; P208-P300 VanDerWaalsContact O-CD 3.26Å; P208-P300 WeakPolarHBondContact O-CD 3.21Å; P208-I333 HydrophobicContact CB-CD1 4.02Å; P208-I333 HydrophobicContact CG-CD1 4.13Å |
| 209 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.9 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | T175 A176 M177 Y178 L207 L214 V261 L264 P300 L332 | T175-V209 HydrophobicContact CG2-CG2 4.21Å; A176-V209 PolarHBondContact O-N 2.92Å; M177-V209 CarbonylContact C-O 3.5Å; M177-V209 WeakPolarHBondContact CA-O 3.42Å; Y178-V209 PolarHBondContact N-O 2.84Å; L207-V209 PolarHBondContact O-N 3.31Å; V209-L214 HydrophobicContact CG1-CD1 3.66Å; V209-L214 HydrophobicContact CG1-CD2 3.88Å; V209-L214 HydrophobicContact CG1-CG 3.85Å; V209-V261 HydrophobicContact CG1-CG2 3.91Å; V209-L264 HydrophobicContact CG2-CD2 3.92Å; V209-P300 HydrophobicContact CG2-CG 4.42Å; V209-L332 CarbonylContact C-O 3.54Å; V209-L332 WeakPolarHBondContact CA-O 3.36Å; V209-L332 HydrophobicContact CG1-CB 4.36Å; V209-L332 HydrophobicContact CG2-CB 4.36Å; V209-L332 HydrophobicContact CG2-CD1 4.38Å |
| 210 | E | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.8 | -178.7 | -171 | 177.8 | -172.5 | 0 | 0 | 111 | Q212 S213 L214 L332 I333 R334 | E210-Q212 HydrophobicContact CG-CB 4.19Å; E210-Q212 PolarHBondContact O-N 2.98Å; E210-S213 PolarHBondContact O-N 3.47Å; E210-S213 VanDerWaalsContact O-N 3.07Å; E210-L214 PolarHBondContact O-N 2.72Å; E210-L214 VanDerWaalsContact O-N 3.14Å; E210-L332 PolarHBondContact N-O 3.31Å; E210-I333 HydrophobicContact CB-CG1 4.17Å; E210-R334 WeakPolarHBondContact OE2-CB 3.37Å; E210-R334 PolarHBondContact OE2-N 2.95Å |
| 211 | N | 93.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 21% | 0.214 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57 | -36 | 179.7 | -77.1 | -12.5 | 0 | 0 | 0 | 112.4 | Y178 S213 L214 V215 | Y178-N211 PolarHBondContact O-N 2.79Å; Y178-N211 VanDerWaalsContact O-N 3.11Å; N211-S213 PolarHBondContact O-N 3.39Å; N211-L214 PolarHBondContact O-N 3.11Å; N211-V215 WeakPolarHBondContact O-CG2 3.49Å; N211-V215 PolarHBondContact O-N 3.42Å |
| 212 | Q | 92.3 | Very high | 92 | Very high | 39 Ų | 39 | 25.7 Ų | 25.7 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.5 | -171.4 | 60.7 | 53 | 0 | 0 | 112 | E210 L214 V215 D216 | E210-Q212 HydrophobicContact CG-CB 4.19Å; E210-Q212 PolarHBondContact O-N 2.98Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 2.96Å; Q212-V215 PolarHBondContact O-N 3.49Å; Q212-D216 PolarHBondContact NE2-OD1 3.01Å; Q212-D216 PolarHBondContact O-N 3.14Å |
| 213 | S | 92.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -38 | 177.3 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | E210 N211 D216 I217 I333 R334 | E210-S213 PolarHBondContact O-N 3.47Å; E210-S213 VanDerWaalsContact O-N 3.07Å; N211-S213 PolarHBondContact O-N 3.39Å; S213-D216 PolarHBondContact O-N 2.91Å; S213-I217 WeakPolarHBondContact O-CB 3.37Å; S213-I217 VanDerWaalsContact O-CG1 3.27Å; S213-I217 WeakPolarHBondContact O-CG1 3.44Å; S213-I217 PolarHBondContact O-N 3.34Å; S213-I333 WeakPolarHBondContact OG-CA 3.35Å; S213-R334 PolarHBondContact OG-N 3.36Å |
| 214 | L | 92.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.5 | -60 | -177.8 | 0 | 0 | 0 | 111.8 | V209 E210 N211 Q212 I217 V218 M257 I260 V261 L332 | V209-L214 HydrophobicContact CG1-CD1 3.66Å; V209-L214 HydrophobicContact CG1-CD2 3.88Å; V209-L214 HydrophobicContact CG1-CG 3.85Å; E210-L214 PolarHBondContact O-N 2.72Å; E210-L214 VanDerWaalsContact O-N 3.14Å; N211-L214 PolarHBondContact O-N 3.11Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 2.96Å; L214-I217 PolarHBondContact O-N 2.92Å; L214-V218 WeakPolarHBondContact O-CB 3.37Å; L214-V218 VanDerWaalsContact O-CG2 3.25Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 2.89Å; L214-M257 HydrophobicContact CB-CB 3.96Å; L214-M257 HydrophobicContact CB-CG 3.68Å; L214-M257 HydrophobicContact CB-SD 3.78Å; L214-M257 HydrophobicContact CD1-CB 3.96Å; L214-I260 HydrophobicContact CD2-CB 4.08Å; L214-I260 HydrophobicContact CD2-CD1 4.31Å; L214-I260 HydrophobicContact CD2-CG2 3.73Å; L214-V261 HydrophobicContact CD1-CG2 3.65Å; L214-V261 HydrophobicContact CD2-CG2 4.29Å; L214-L332 HydrophobicContact CD2-CD2 4.08Å |
| 215 | V | 91.1 | Very high | 87.7 | Confident | 47 Ų | 47 | 32.6 Ų | 32.6 | 29% | 0.285 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 174.4 | 170 | 0 | 0 | 0 | 0 | 110.7 | N211 Q212 I217 V218 N219 M257 | N211-V215 WeakPolarHBondContact O-CG2 3.49Å; N211-V215 PolarHBondContact O-N 3.42Å; Q212-V215 PolarHBondContact O-N 3.49Å; V215-I217 VanDerWaalsContact C-N 3.32Å; V215-I217 PolarHBondContact O-N 3Å; V215-V218 PolarHBondContact O-N 3.44Å; V215-N219 WeakPolarHBondContact CG1-ND2 3.05Å; V215-N219 WeakPolarHBondContact O-CB 3.15Å; V215-N219 PolarHBondContact O-N 2.92Å; V215-N219 PolarHBondContact O-ND2 3.21Å; V215-M257 HydrophobicContact CG2-CE 4.12Å; V215-M257 HydrophobicContact CG2-SD 3.53Å; V215-M257 VanDerWaalsContact CG2-SD 3.53Å |
| 216 | D | 90.4 | Very high | 86 | Confident | 78 Ų | 78 | 39.6 Ų | 39.6 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -43.2 | -179.9 | -64.2 | -13.5 | 0 | 0 | 0 | 111.3 | Q212 S213 K220 | Q212-D216 PolarHBondContact NE2-OD1 3.01Å; Q212-D216 PolarHBondContact O-N 3.14Å; S213-D216 PolarHBondContact O-N 2.91Å; D216-K220 WeakPolarHBondContact O-CB 3.37Å; D216-K220 PolarHBondContact O-N 3.47Å |
| 217 | I | 89.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 175.5 | -73.4 | 167.4 | 0 | 0 | 0 | 111.2 | S213 L214 V215 N219 K220 I221 I260 L305 L332 | S213-I217 WeakPolarHBondContact O-CB 3.37Å; S213-I217 VanDerWaalsContact O-CG1 3.27Å; S213-I217 WeakPolarHBondContact O-CG1 3.44Å; S213-I217 PolarHBondContact O-N 3.34Å; L214-I217 PolarHBondContact O-N 2.92Å; V215-I217 VanDerWaalsContact C-N 3.32Å; V215-I217 PolarHBondContact O-N 3Å; I217-N219 VanDerWaalsContact C-N 3.35Å; I217-N219 PolarHBondContact O-N 2.78Å; I217-K220 PolarHBondContact O-N 2.93Å; I217-I221 HydrophobicContact CG2-CD1 3.76Å; I217-I221 HydrophobicContact CG2-CG1 4.49Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.4Å; I217-I221 PolarHBondContact O-N 3.42Å; I217-I260 HydrophobicContact CB-CD1 4.25Å; I217-I260 HydrophobicContact CG2-CD1 3.6Å; I217-L305 HydrophobicContact CG1-CD1 4.26Å; I217-L305 HydrophobicContact CG2-CD1 3.96Å; I217-L305 HydrophobicContact CG2-CD2 3.89Å; I217-L305 HydrophobicContact CG2-CG 4.41Å; I217-L332 HydrophobicContact CD1-CD2 3.82Å |
| 218 | V | 87.9 | Confident | 81.8 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 179.6 | 170 | 0 | 0 | 0 | 0 | 110.7 | L214 V215 K220 I221 S222 T241 A256 M257 I260 | L214-V218 WeakPolarHBondContact O-CB 3.37Å; L214-V218 VanDerWaalsContact O-CG2 3.25Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 2.89Å; V215-V218 PolarHBondContact O-N 3.44Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 2.83Å; V218-I221 PolarHBondContact O-N 3.41Å; V218-S222 PolarHBondContact O-N 3.03Å; V218-T241 HydrophobicContact CG2-CG2 3.9Å; V218-A256 HydrophobicContact CG1-CB 4.05Å; V218-A256 HydrophobicContact CG2-CB 3.88Å; V218-M257 HydrophobicContact CG2-CG 3.89Å; V218-I260 HydrophobicContact CG2-CD1 3.8Å |
| 219 | N | 86.8 | Confident | 79.5 | Confident | 85 Ų | 85 | 56 Ų | 56 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 177.7 | -72.6 | -19.7 | 0 | 0 | 0 | 111.2 | V215 I217 S222 L223 | V215-N219 WeakPolarHBondContact CG1-ND2 3.05Å; V215-N219 WeakPolarHBondContact O-CB 3.15Å; V215-N219 PolarHBondContact O-N 2.92Å; V215-N219 PolarHBondContact O-ND2 3.21Å; I217-N219 VanDerWaalsContact C-N 3.35Å; I217-N219 PolarHBondContact O-N 2.78Å; N219-S222 WeakPolarHBondContact O-CB 3.45Å; N219-S222 PolarHBondContact O-N 3.01Å; N219-L223 WeakPolarHBondContact O-CG 3.47Å; N219-L223 PolarHBondContact O-N 2.93Å |
| 220 | K | 81.9 | Confident | 76.7 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 175.9 | -175.5 | 179.8 | 174.7 | -171.4 | 0 | 111.9 | D216 I217 V218 S222 L223 M224 E329 | D216-K220 WeakPolarHBondContact O-CB 3.37Å; D216-K220 PolarHBondContact O-N 3.47Å; I217-K220 PolarHBondContact O-N 2.93Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 2.83Å; K220-S222 VanDerWaalsContact C-N 3.27Å; K220-S222 PolarHBondContact O-N 3.13Å; K220-L223 PolarHBondContact O-N 3.23Å; K220-M224 HydrophobicContact CG-SD 4.3Å; K220-M224 VanDerWaalsContact O-CG 3.28Å; K220-M224 WeakPolarHBondContact O-CG 3.44Å; K220-M224 PolarHBondContact O-N 2.93Å; K220-E329 IonicContact NZ-OE2 3.2Å; K220-E329 PolarHBondContact NZ-OE2 2.97Å |
| 221 | I | 78.6 | Confident | 74.3 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.1 | -67 | 164.6 | 0 | 0 | 0 | 110.7 | I217 V218 S225 T239 V240 T241 L305 | I217-I221 HydrophobicContact CG2-CD1 3.76Å; I217-I221 HydrophobicContact CG2-CG1 4.49Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.4Å; I217-I221 PolarHBondContact O-N 3.42Å; V218-I221 PolarHBondContact O-N 3.41Å; I221-S225 PolarHBondContact O-N 2.74Å; I221-S225 VanDerWaalsContact O-N 3.12Å; I221-S225 PolarHBondContact O-OG 2.94Å; I221-T239 HydrophobicContact CG2-CG2 3.89Å; I221-V240 HydrophobicContact CD1-CG2 4.23Å; I221-T241 HydrophobicContact CD1-CG2 3.49Å; I221-T241 VanDerWaalsContact CD1-CG2 3.49Å; I221-L305 HydrophobicContact CD1-CB 4.15Å; I221-L305 HydrophobicContact CG1-CB 4.35Å |
| 222 | S | 78.2 | Confident | 72 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 177.1 | -162.1 | 0 | 0 | 0 | 0 | 111.9 | V218 N219 K220 M224 S225 H226 | V218-S222 PolarHBondContact O-N 3.03Å; N219-S222 WeakPolarHBondContact O-CB 3.45Å; N219-S222 PolarHBondContact O-N 3.01Å; K220-S222 VanDerWaalsContact C-N 3.27Å; K220-S222 PolarHBondContact O-N 3.13Å; S222-M224 VanDerWaalsContact C-N 3.34Å; S222-M224 PolarHBondContact O-N 2.85Å; S222-S225 WeakPolarHBondContact O-CB 3.21Å; S222-S225 PolarHBondContact O-N 2.81Å; S222-S225 VanDerWaalsContact O-N 3.11Å; S222-H226 PolarHBondContact O-CD2 3.33Å; S222-H226 PolarHBondContact O-N 3.3Å |
| 223 | L | 73.4 | Confident | 69.9 | Low | 109 Ų | 109 | 69.2 Ų | 69.2 | 57% | 0.571 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.3 | -45 | 178.4 | -71.3 | 170.3 | 0 | 0 | 0 | 111.7 | N219 K220 S225 H226 D227 | N219-L223 WeakPolarHBondContact O-CG 3.47Å; N219-L223 PolarHBondContact O-N 2.93Å; K220-L223 PolarHBondContact O-N 3.23Å; L223-S225 PolarHBondContact O-N 2.83Å; L223-H226 PolarHBondContact O-N 3.43Å; L223-D227 PolarHBondContact O-N 3.49Å |
| 224 | M | 66.8 | Low | 68 | Low | 61 Ų | 61 | 69.9 Ų | 69.9 | 30% | 0.3 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -30.3 | 177.7 | -66.4 | -173.5 | 71.8 | 0 | 0 | 112.9 | K220 S222 H226 L234 Y306 | K220-M224 HydrophobicContact CG-SD 4.3Å; K220-M224 VanDerWaalsContact O-CG 3.28Å; K220-M224 WeakPolarHBondContact O-CG 3.44Å; K220-M224 PolarHBondContact O-N 2.93Å; S222-M224 VanDerWaalsContact C-N 3.34Å; S222-M224 PolarHBondContact O-N 2.85Å; M224-H226 VanDerWaalsContact C-N 3.33Å; M224-L234 VanDerWaalsContact C-CD1 3.5Å; M224-L234 HydrophobicContact CB-CD1 4.2Å; M224-L234 VanDerWaalsContact O-CD1 3.24Å; M224-L234 WeakPolarHBondContact O-CD1 3.48Å; M224-Y306 HydrophobicContact CE-CE1 3.72Å; M224-Y306 HydrophobicContact CE-CE2 3.84Å; M224-Y306 WeakPolarHBondContact CE-OH 3.41Å; M224-Y306 HydrophobicContact SD-CD1 4.23Å; M224-Y306 HydrophobicContact SD-CE1 3.53Å; M224-Y306 VanDerWaalsContact SD-CE1 3.53Å |
| 225 | S | 63.3 | Low | 66.1 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 38% | 0.378 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.9 | -29.5 | 175 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | I221 S222 L223 | I221-S225 PolarHBondContact O-N 2.74Å; I221-S225 VanDerWaalsContact O-N 3.12Å; I221-S225 PolarHBondContact O-OG 2.94Å; S222-S225 WeakPolarHBondContact O-CB 3.21Å; S222-S225 PolarHBondContact O-N 2.81Å; S222-S225 VanDerWaalsContact O-N 3.11Å; L223-S225 PolarHBondContact O-N 2.83Å |
| 226 | H | 60 | Low | 64.3 | Low | 148 Ų | 148 | 77.2 Ų | 77.2 | 69% | 0.685 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -87.1 | -33.9 | 179.9 | -70.9 | -64.8 | 0 | 0 | 0 | 113.8 | S222 L223 M224 A228 | S222-H226 PolarHBondContact O-CD2 3.33Å; S222-H226 PolarHBondContact O-N 3.3Å; L223-H226 PolarHBondContact O-N 3.43Å; M224-H226 VanDerWaalsContact C-N 3.33Å; H226-A228 VanDerWaalsContact C-N 3.27Å; H226-A228 PolarHBondContact O-N 2.77Å |
| 227 | D | 53.8 | Low | 62.5 | Low | 137 Ų | 137 | 80.1 Ų | 80.1 | 73% | 0.733 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -82.9 | 4.5 | -177 | -78.5 | -25.4 | 0 | 0 | 0 | 114.6 | L223 K229 | L223-D227 PolarHBondContact O-N 3.49Å; D227-K229 PolarHBondContact O-N 3.13Å |
| 228 | A | 54.1 | Low | 60.9 | Low | 35 Ų | 35 | 80.8 Ų | 80.8 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | trans | -73.7 | 122.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H226 C232 | H226-A228 VanDerWaalsContact C-N 3.27Å; H226-A228 PolarHBondContact O-N 2.77Å; A228-C232 HydrophobicContact CB-CB 4.34Å; A228-C232 WeakPolarHBondContact CB-O 3.15Å | ||
| 229 | K | 48.8 | Very low | 59.6 | Low | 171 Ų | 171 | 79.6 Ų | 79.6 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | trans | -48.8 | 149.6 | 177.7 | -72.3 | -179.1 | 178.2 | 179.3 | 0 | 111.4 | D227 G231 C232 | D227-K229 PolarHBondContact O-N 3.13Å; K229-G231 PolarHBondContact O-N 3.44Å; K229-C232 PolarHBondContact O-N 3.44Å | ||
| 230 | P | 39.6 | Very low | 58.4 | Low | 145 Ų | 145 | 76 Ų | 76 | 94% | 0.942 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 104.6 | 174.9 | -11.7 | 22.7 | 0 | 0 | 0 | 109.4 | ||
| 231 | G | 45.6 | Very low | 57.6 | Low | 71 Ų | 71 | 74.5 Ų | 74.5 | 73% | 0.732 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.4 | -16.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K229 | K229-G231 PolarHBondContact O-N 3.44Š|
| 232 | C | 44.3 | Very low | 56.7 | Low | 44 Ų | 44 | 75.2 Ų | 75.2 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | trans | -107.9 | 79.7 | 173.4 | -166.8 | 0 | 0 | 0 | 0 | 108.8 | A228 K229 L234 | A228-C232 HydrophobicContact CB-CB 4.34Å; A228-C232 WeakPolarHBondContact CB-O 3.15Å; K229-C232 PolarHBondContact O-N 3.44Å; C232-L234 PolarHBondContact O-N 3.2Å | ||
| 233 | V | 48.1 | Very low | 55.6 | Low | 105 Ų | 105 | 73 Ų | 73 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | trans | -86.4 | 110.2 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | K235 | V233-K235 PolarHBondContact O-N 3.32Å; V233-K235 VanDerWaalsContact O-N 3.11Å | ||
| 234 | L | 52.4 | Low | 54.2 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | trans | -61.7 | 109.4 | 161.9 | -84.7 | 160.2 | 0 | 0 | 0 | 107.5 | M224 C232 K236 Y306 T307 L308 | M224-L234 VanDerWaalsContact C-CD1 3.5Å; M224-L234 HydrophobicContact CB-CD1 4.2Å; M224-L234 VanDerWaalsContact O-CD1 3.24Å; M224-L234 WeakPolarHBondContact O-CD1 3.48Å; C232-L234 PolarHBondContact O-N 3.2Å; L234-K236 PolarHBondContact O-N 3.33Å; L234-Y306 HydrophobicContact CD2-CD2 3.96Å; L234-Y306 HydrophobicContact CD2-CG 4.49Å; L234-T307 VanDerWaalsContact CD2-O 3.31Å; L234-T307 WeakPolarHBondContact CD2-O 3.34Å; L234-L308 HydrophobicContact CD1-CD2 4.26Å; L234-L308 HydrophobicContact CD2-CD2 3.4Å; L234-L308 VanDerWaalsContact CD2-CD2 3.4Å; L234-L308 HydrophobicContact CD2-CG 4.08Å; L234-L308 HydrophobicContact CG-CD2 3.64Å | ||
| 235 | K | 54.4 | Low | 53.1 | Low | 105 Ų | 105 | 73.1 Ų | 73.1 | 46% | 0.457 | 42% | 0.424 | S | S | . | . | trans | -67.1 | 128.4 | 172.4 | -71.4 | -176.9 | -175.7 | 173.7 | 0 | 107.6 | V233 E237 S238 A309 | V233-K235 PolarHBondContact O-N 3.32Å; V233-K235 VanDerWaalsContact O-N 3.11Å; K235-E237 PolarHBondContact O-N 2.82Å; K235-E237 VanDerWaalsContact O-N 3.13Å; K235-S238 WeakPolarHBondContact O-CB 3.42Å; K235-S238 PolarHBondContact O-N 3.25Å; K235-A309 HydrophobicContact CB-CB 4.16Å; K235-A309 HydrophobicContact CD-CB 3.69Å; K235-A309 HydrophobicContact CG-CB 3.73Å | ||
| 236 | K | 52.3 | Low | 52.1 | Low | 98 Ų | 98 | 71.6 Ų | 71.6 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -59.8 | -24.5 | 177.9 | -169.7 | 167.7 | 173.2 | -175.4 | 0 | 111.8 | L234 S238 S242 E251 | L234-K236 PolarHBondContact O-N 3.33Å; K236-S238 PolarHBondContact O-N 3.15Å; K236-S242 WeakPolarHBondContact O-CB 3.41Å; K236-E251 WeakPolarHBondContact CE-OE1 3.39Å; K236-E251 VanDerWaalsContact NZ-CD 3.34Å; K236-E251 IonicContact NZ-OE1 2.59Å; K236-E251 PolarHBondContact NZ-OE1 3.21Å; K236-E251 IonicContact NZ-OE2 3.48Å; K236-E251 PolarHBondContact NZ-OE2 3.47Å |
| 237 | E | 52.1 | Low | 51.5 | Low | 139 Ų | 139 | 69.5 Ų | 69.5 | 65% | 0.65 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -67.8 | -8.2 | 175 | -59.9 | 173.9 | -179.5 | 0 | 0 | 114.9 | K235 S242 | K235-E237 PolarHBondContact O-N 2.82Å; K235-E237 VanDerWaalsContact O-N 3.13Å; E237-S242 PolarHBondContact O-OG 2.68Å |
| 238 | S | 56.8 | Low | 50.9 | Low | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.119 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -111.4 | 4.5 | -163.2 | -105.5 | 0 | 0 | 0 | 0 | 111.9 | K235 K236 Y306 T307 H391 | K235-S238 WeakPolarHBondContact O-CB 3.42Å; K235-S238 PolarHBondContact O-N 3.25Å; K236-S238 PolarHBondContact O-N 3.15Å; S238-Y306 CarbonylContact O-C 3.59Å; S238-T307 VanDerWaalsContact C-OG1 3.26Å; S238-T307 WeakPolarHBondContact CA-OG1 3.17Å; S238-T307 WeakPolarHBondContact CB-OG1 3.32Å; S238-T307 WeakPolarHBondContact O-CB 3.34Å; S238-T307 PolarHBondContact O-N 2.81Å; S238-T307 PolarHBondContact O-OG1 3.19Å; S238-T307 PolarHBondContact OG-OG1 3.5Å; S238-H391 PolarHBondContact O-NE2 3.26Å |
| 239 | T | 60.6 | Low | 50.3 | Low | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -104.6 | 154.1 | -179.9 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | I221 T241 S242 | I221-T239 HydrophobicContact CG2-CG2 3.89Å; T239-T241 WeakPolarHBondContact CB-OG1 3.5Å; T239-T241 PolarHBondContact O-N 3.39Å; T239-T241 PolarHBondContact OG1-OG1 3.48Å; T239-S242 WeakPolarHBondContact O-CB 3.26Å; T239-S242 PolarHBondContact O-N 3.48Å; T239-S242 PolarHBondContact O-OG 3.46Å; T239-S242 WeakPolarHBondContact OG1-CB 3.45Å; T239-S242 PolarHBondContact OG1-N 2.88Å |
| 240 | V | 62.3 | Low | 50.4 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.2 | 172.9 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | I221 S242 N259 I260 N263 P304 L305 | I221-V240 HydrophobicContact CD1-CG2 4.23Å; V240-S242 VanDerWaalsContact C-N 3.32Å; V240-N259 WeakPolarHBondContact O-CB 3.3Å; V240-I260 HydrophobicContact CG2-CG1 3.91Å; V240-N263 PolarHBondContact O-ND2 2.97Å; V240-P304 WeakPolarHBondContact CG1-O 3.38Å; V240-L305 HydrophobicContact CG2-CB 4.49Å; V240-L305 HydrophobicContact CG2-CD2 4.16Å; V240-L305 WeakPolarHBondContact CG2-O 3.45Å; V240-L305 PolarHBondContact N-O 2.84Å |
| 241 | T | 63.5 | Low | 51.3 | Low | 22 Ų | 22 | 66 Ų | 66 | 14% | 0.135 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.9 | 173.4 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | V218 I221 T239 G243 A256 N259 I260 | V218-T241 HydrophobicContact CG2-CG2 3.9Å; I221-T241 HydrophobicContact CD1-CG2 3.49Å; I221-T241 VanDerWaalsContact CD1-CG2 3.49Å; T239-T241 WeakPolarHBondContact CB-OG1 3.5Å; T239-T241 PolarHBondContact O-N 3.39Å; T239-T241 PolarHBondContact OG1-OG1 3.48Å; T241-G243 PolarHBondContact O-N 3.22Å; T241-A256 HydrophobicContact CG2-CB 4.18Å; T241-N259 PolarHBondContact O-ND2 3.14Å; T241-I260 HydrophobicContact CG2-CD1 4.02Å; T241-I260 HydrophobicContact CG2-CG1 4.12Å |
| 242 | S | 60.4 | Low | 52.2 | Low | 23 Ų | 23 | 67.6 Ų | 67.6 | 16% | 0.161 | 39% | 0.386 | C | S | . | . | trans | -74.1 | 115 | -174.4 | 76.1 | 0 | 0 | 0 | 0 | 112 | K236 E237 T239 V240 | K236-S242 WeakPolarHBondContact O-CB 3.41Å; E237-S242 PolarHBondContact O-OG 2.68Å; T239-S242 WeakPolarHBondContact O-CB 3.26Å; T239-S242 PolarHBondContact O-N 3.48Å; T239-S242 PolarHBondContact O-OG 3.46Å; T239-S242 WeakPolarHBondContact OG1-CB 3.45Å; T239-S242 PolarHBondContact OG1-N 2.88Å; V240-S242 VanDerWaalsContact C-N 3.32Å | ||
| 243 | G | 54.4 | Low | 53.2 | Low | 11 Ų | 11 | 70.3 Ų | 70.3 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | trans | -103.2 | -5.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113 | R26 T241 G245 G246 N259 | R26-G243 PolarHBondContact NH1-O 2.88Å; R26-G243 VanDerWaalsContact NH1-O 3.14Å; R26-G243 PolarHBondContact NH2-O 3.1Å; T241-G243 PolarHBondContact O-N 3.22Å; G243-G245 PolarHBondContact O-N 3.07Å; G243-G246 PolarHBondContact O-N 3.38Å; G243-N259 PolarHBondContact N-ND2 2.97Å | ||
| 244 | Q | 43.8 | Very low | 54.8 | Low | 105 Ų | 105 | 70.7 Ų | 70.7 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 126.4 | -171.1 | -80.7 | -169.3 | -20.8 | 0 | 0 | 111.3 | ||
| 245 | G | 44.3 | Very low | 56.4 | Low | 67 Ų | 67 | 70.3 Ų | 70.3 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.8 | -11.1 | -150.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R26 G243 | R26-G245 VanDerWaalsContact NH2-C 3.33Å; R26-G245 PolarHBondContact NH2-O 2.85Å; G243-G245 PolarHBondContact O-N 3.07Å |
| 246 | G | 43.3 | Very low | 58 | Low | 22 Ų | 22 | 66.8 Ų | 66.8 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | trans | -61.3 | 141.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G243 S248 | G243-G246 PolarHBondContact O-N 3.38Å; G246-S248 PolarHBondContact O-N 2.79Å | ||
| 247 | V | 46.1 | Very low | 59.8 | Low | 103 Ų | 103 | 63.2 Ų | 63.2 | 62% | 0.624 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -74.5 | 12.4 | -178 | -156.2 | 0 | 0 | 0 | 0 | 112.9 | P88 | P88-V247 HydrophobicContact CB-CB 3.35Å; P88-V247 HydrophobicContact CB-CG1 3.61Å; P88-V247 HydrophobicContact CB-CG2 3.29Å; P88-V247 HydrophobicContact CG-CB 3.43Å; P88-V247 VanDerWaalsContact CG-CB 3.43Å; P88-V247 HydrophobicContact CG-CG1 4.2Å; P88-V247 HydrophobicContact CG-CG2 3.52Å |
| 248 | S | 41.5 | Very low | 61.8 | Low | 61 Ų | 61 | 57 Ų | 57 | 43% | 0.427 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -123.4 | 123.9 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | G246 T250 | G246-S248 PolarHBondContact O-N 2.79Å; S248-T250 PolarHBondContact O-N 3.49Å; S248-T250 PolarHBondContact OG-OG1 3.15Å |
| 249 | P | 42.1 | Very low | 63.5 | Low | 136 Ų | 136 | 56.4 Ų | 56.4 | 88% | 0.883 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -73.6 | -4.9 | -179.2 | 28.4 | -32.9 | 0 | 0 | 0 | 114.1 | ||
| 250 | T | 50.8 | Low | 65 | Low | 92 Ų | 92 | 56 Ų | 56 | 56% | 0.564 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -104.9 | 120.2 | 178.7 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | S248 R252 | S248-T250 PolarHBondContact O-N 3.49Å; S248-T250 PolarHBondContact OG-OG1 3.15Å; T250-R252 PolarHBondContact O-N 3.16Å |
| 251 | E | 58.9 | Low | 66.6 | Low | 126 Ų | 126 | 55.5 Ų | 55.5 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 117.7 | 169.1 | -78.1 | 178 | 170.9 | 0 | 0 | 108.7 | K236 | K236-E251 WeakPolarHBondContact CE-OE1 3.39Å; K236-E251 VanDerWaalsContact NZ-CD 3.34Å; K236-E251 IonicContact NZ-OE1 2.59Å; K236-E251 PolarHBondContact NZ-OE1 3.21Å; K236-E251 IonicContact NZ-OE2 3.48Å; K236-E251 PolarHBondContact NZ-OE2 3.47Å |
| 252 | R | 64 | Low | 68.1 | Low | 105 Ų | 105 | 54.5 Ų | 54.5 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 157.4 | 176.9 | -63.6 | -175.4 | -69 | -172.3 | -3.6 | 110.1 | T250 F254 D255 | T250-R252 PolarHBondContact O-N 3.16Å; R252-F254 PolarHBondContact O-N 2.97Å; R252-D255 WeakPolarHBondContact CA-OD2 3.29Å; R252-D255 WeakPolarHBondContact CB-OD2 3.48Å; R252-D255 PolarHBondContact N-OD2 3.38Å; R252-D255 WeakPolarHBondContact O-CB 3.3Å; R252-D255 PolarHBondContact O-N 2.81Å |
| 253 | P | 65.1 | Low | 69.7 | Low | 101 Ų | 101 | 54.4 Ų | 54.4 | 66% | 0.656 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 142.6 | 168.4 | -25.5 | 35.1 | 0 | 0 | 0 | 110.7 | D255 | P253-D255 PolarHBondContact O-N 3.47Å; P253-D255 VanDerWaalsContact O-N 3.14Å |
| 254 | F | 82.6 | Confident | 71.7 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -4.2 | -180 | -48.7 | -90.8 | 0 | 0 | 0 | 117.4 | R252 A256 M257 N258 | R252-F254 PolarHBondContact O-N 2.97Å; F254-A256 VanDerWaalsContact C-N 3.35Å; F254-A256 PolarHBondContact O-N 2.71Å; F254-M257 HydrophobicContact CB-CE 4.08Å; F254-M257 HydrophobicContact CD1-CE 3.15Å; F254-M257 HydrophobicContact CD1-SD 4.46Å; F254-M257 HydrophobicContact CE1-CE 3.78Å; F254-M257 HydrophobicContact CG-CE 3.93Å; F254-M257 WeakPolarHBondContact O-CB 3.41Å; F254-M257 PolarHBondContact O-N 3.32Å; F254-M257 VanDerWaalsContact O-N 3.07Å; F254-N258 VanDerWaalsContact O-CG 3.25Å; F254-N258 PolarHBondContact O-N 3.41Å; F254-N258 PolarHBondContact O-ND2 3.07Å |
| 255 | D | 85.4 | Confident | 74.2 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | -177 | -86.2 | -28.3 | 0 | 0 | 0 | 113.9 | R19 R252 P253 M257 N258 N259 | R19-D255 IonicContact CZ-OD1 2.74Å; R19-D255 VanDerWaalsContact CZ-OD1 3.3Å; R19-D255 IonicContact CZ-OD2 3.19Å; R19-D255 IonicContact NE-OD1 2.86Å; R19-D255 PolarHBondContact NE-OD1 3.35Å; R19-D255 IonicContact NH2-OD1 3.13Å; R19-D255 PolarHBondContact NH2-OD1 3.18Å; R19-D255 IonicContact NH2-OD2 3.35Å; R19-D255 PolarHBondContact NH2-OD2 3.12Å; R252-D255 WeakPolarHBondContact CA-OD2 3.29Å; R252-D255 WeakPolarHBondContact CB-OD2 3.48Å; R252-D255 PolarHBondContact N-OD2 3.38Å; R252-D255 WeakPolarHBondContact O-CB 3.3Å; R252-D255 PolarHBondContact O-N 2.81Å; P253-D255 PolarHBondContact O-N 3.47Å; P253-D255 VanDerWaalsContact O-N 3.14Å; D255-M257 VanDerWaalsContact C-N 3.3Å; D255-M257 PolarHBondContact O-N 2.98Å; D255-N258 PolarHBondContact O-N 2.94Å; D255-N259 VanDerWaalsContact O-CG 3.26Å; D255-N259 PolarHBondContact O-N 3.27Å; D255-N259 PolarHBondContact O-ND2 3.28Å |
| 256 | A | 87.3 | Confident | 76.6 | Confident | 32 Ų | 32 | 46 Ų | 46 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V218 T241 F254 I260 | V218-A256 HydrophobicContact CG1-CB 4.05Å; V218-A256 HydrophobicContact CG2-CB 3.88Å; T241-A256 HydrophobicContact CG2-CB 4.18Å; F254-A256 VanDerWaalsContact C-N 3.35Å; F254-A256 PolarHBondContact O-N 2.71Å; A256-I260 PolarHBondContact O-N 2.85Å |
| 257 | M | 90.9 | Very high | 79.1 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -44.9 | 176.5 | -67.4 | -172.5 | -88.2 | 0 | 0 | 111 | L214 V215 V218 F254 D255 N259 I260 V261 | L214-M257 HydrophobicContact CB-CB 3.96Å; L214-M257 HydrophobicContact CB-CG 3.68Å; L214-M257 HydrophobicContact CB-SD 3.78Å; L214-M257 HydrophobicContact CD1-CB 3.96Å; V215-M257 HydrophobicContact CG2-CE 4.12Å; V215-M257 HydrophobicContact CG2-SD 3.53Å; V215-M257 VanDerWaalsContact CG2-SD 3.53Å; V218-M257 HydrophobicContact CG2-CG 3.89Å; F254-M257 HydrophobicContact CB-CE 4.08Å; F254-M257 HydrophobicContact CD1-CE 3.15Å; F254-M257 HydrophobicContact CD1-SD 4.46Å; F254-M257 HydrophobicContact CE1-CE 3.78Å; F254-M257 HydrophobicContact CG-CE 3.93Å; F254-M257 WeakPolarHBondContact O-CB 3.41Å; F254-M257 PolarHBondContact O-N 3.32Å; F254-M257 VanDerWaalsContact O-N 3.07Å; D255-M257 VanDerWaalsContact C-N 3.3Å; D255-M257 PolarHBondContact O-N 2.98Å; M257-N259 PolarHBondContact O-N 3.07Å; M257-I260 WeakPolarHBondContact O-CB 3.29Å; M257-I260 PolarHBondContact O-N 3.31Å; M257-V261 PolarHBondContact O-N 2.67Å |
| 258 | N | 93.7 | Very high | 81.4 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -34.5 | 177.3 | -66.9 | -22.1 | 0 | 0 | 0 | 111.9 | V16 R19 F254 D255 V261 A262 | V16-N258 HydrophobicContact CG2-CB 4.21Å; V16-N258 VanDerWaalsContact CG2-OD1 3.28Å; V16-N258 WeakPolarHBondContact CG2-OD1 3.31Å; R19-N258 HydrophobicContact CB-CB 4.39Å; R19-N258 HydrophobicContact CG-CB 3.79Å; F254-N258 VanDerWaalsContact O-CG 3.25Å; F254-N258 PolarHBondContact O-N 3.41Å; F254-N258 PolarHBondContact O-ND2 3.07Å; D255-N258 PolarHBondContact O-N 2.94Å; N258-V261 PolarHBondContact O-N 2.88Å; N258-A262 VanDerWaalsContact O-CB 3.29Å; N258-A262 WeakPolarHBondContact O-CB 3.44Å; N258-A262 PolarHBondContact O-N 3.02Å |
| 259 | N | 91.6 | Very high | 83.9 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 174.1 | -71.8 | -26.2 | 0 | 0 | 0 | 112.7 | R19 V240 T241 G243 D255 M257 N263 | R19-N259 WeakPolarHBondContact CD-OD1 3.41Å; V240-N259 WeakPolarHBondContact O-CB 3.3Å; T241-N259 PolarHBondContact O-ND2 3.14Å; G243-N259 PolarHBondContact N-ND2 2.97Å; D255-N259 VanDerWaalsContact O-CG 3.26Å; D255-N259 PolarHBondContact O-N 3.27Å; D255-N259 PolarHBondContact O-ND2 3.28Å; M257-N259 PolarHBondContact O-N 3.07Å; N259-N263 WeakPolarHBondContact O-CB 3.38Å; N259-N263 PolarHBondContact O-N 2.79Å; N259-N263 PolarHBondContact O-ND2 3.19Å |
| 260 | I | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 175 | -63.2 | 163.9 | 0 | 0 | 0 | 109.9 | L214 I217 V218 V240 T241 A256 M257 N263 L264 L302 L332 | L214-I260 HydrophobicContact CD2-CB 4.08Å; L214-I260 HydrophobicContact CD2-CD1 4.31Å; L214-I260 HydrophobicContact CD2-CG2 3.73Å; I217-I260 HydrophobicContact CB-CD1 4.25Å; I217-I260 HydrophobicContact CG2-CD1 3.6Å; V218-I260 HydrophobicContact CG2-CD1 3.8Å; V240-I260 HydrophobicContact CG2-CG1 3.91Å; T241-I260 HydrophobicContact CG2-CD1 4.02Å; T241-I260 HydrophobicContact CG2-CG1 4.12Å; A256-I260 PolarHBondContact O-N 2.85Å; M257-I260 WeakPolarHBondContact O-CB 3.29Å; M257-I260 PolarHBondContact O-N 3.31Å; I260-N263 PolarHBondContact O-N 3.23Å; I260-L264 PolarHBondContact O-N 2.76Å; I260-L302 HydrophobicContact CG2-CD1 3.92Å; I260-L302 WeakPolarHBondContact O-CD1 3.38Å; I260-L332 HydrophobicContact CG2-CD2 3.61Å |
| 261 | V | 96.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -38.8 | 179.5 | -171 | 0 | 0 | 0 | 0 | 111.8 | V16 T175 M177 V209 L214 M257 N258 N263 L264 L265 | V16-V261 HydrophobicContact CG1-CB 3.89Å; V16-V261 HydrophobicContact CG1-CG1 3.61Å; V16-V261 HydrophobicContact CG2-CB 4.34Å; V16-V261 HydrophobicContact CG2-CG1 4.45Å; T175-V261 HydrophobicContact CG2-CG1 3.79Å; M177-V261 HydrophobicContact SD-CG1 4.4Å; V209-V261 HydrophobicContact CG1-CG2 3.91Å; L214-V261 HydrophobicContact CD1-CG2 3.65Å; L214-V261 HydrophobicContact CD2-CG2 4.29Å; M257-V261 PolarHBondContact O-N 2.67Å; N258-V261 PolarHBondContact O-N 2.88Å; V261-N263 VanDerWaalsContact C-N 3.3Å; V261-N263 PolarHBondContact O-N 2.95Å; V261-L264 VanDerWaalsContact O-CB 3.31Å; V261-L264 WeakPolarHBondContact O-CB 3.48Å; V261-L264 PolarHBondContact O-N 3.22Å; V261-L265 PolarHBondContact O-N 2.8Å; V261-L265 VanDerWaalsContact O-N 3.16Å |
| 262 | A | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R19 F20 L23 N258 L265 L266 | R19-A262 HydrophobicContact CB-CB 3.94Å; F20-A262 HydrophobicContact CB-CB 4.2Å; L23-A262 HydrophobicContact CD1-CB 3.8Å; N258-A262 VanDerWaalsContact O-CB 3.29Å; N258-A262 WeakPolarHBondContact O-CB 3.44Å; N258-A262 PolarHBondContact O-N 3.02Å; A262-L265 PolarHBondContact O-N 3.27Å; A262-L266 WeakPolarHBondContact O-CG 3.37Å; A262-L266 PolarHBondContact O-N 3.33Å |
| 263 | N | 94.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 16.7 Ų | 16.7 | 12% | 0.118 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 174.3 | -84.9 | -72.9 | 0 | 0 | 0 | 112.8 | V240 N259 I260 V261 L265 L266 N267 L302 | V240-N263 PolarHBondContact O-ND2 2.97Å; N259-N263 WeakPolarHBondContact O-CB 3.38Å; N259-N263 PolarHBondContact O-N 2.79Å; N259-N263 PolarHBondContact O-ND2 3.19Å; I260-N263 PolarHBondContact O-N 3.23Å; V261-N263 VanDerWaalsContact C-N 3.3Å; V261-N263 PolarHBondContact O-N 2.95Å; N263-L265 VanDerWaalsContact C-N 3.33Å; N263-L265 PolarHBondContact O-N 2.63Å; N263-L266 PolarHBondContact O-N 2.72Å; N263-N267 WeakPolarHBondContact O-CB 3.36Å; N263-N267 PolarHBondContact O-N 3.08Å; N263-N267 PolarHBondContact O-ND2 3.43Å; N263-L302 HydrophobicContact CB-CD1 4.38Å |
| 264 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.1 | -51.4 | 169.7 | 165.3 | 66.5 | 0 | 0 | 0 | 110.7 | T175 L207 V209 I260 V261 L266 N267 I268 P300 L302 L332 L396 L398 | T175-L264 HydrophobicContact CG2-CD2 4.35Å; L207-L264 HydrophobicContact CB-CD2 4.48Å; L207-L264 HydrophobicContact CD1-CD2 4.4Å; V209-L264 HydrophobicContact CG2-CD2 3.92Å; I260-L264 PolarHBondContact O-N 2.76Å; V261-L264 VanDerWaalsContact O-CB 3.31Å; V261-L264 WeakPolarHBondContact O-CB 3.48Å; V261-L264 PolarHBondContact O-N 3.22Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 2.93Å; L264-N267 PolarHBondContact O-N 3.23Å; L264-I268 WeakPolarHBondContact O-CG2 3.41Å; L264-I268 PolarHBondContact O-N 3.3Å; L264-P300 HydrophobicContact CD1-CB 3.6Å; L264-P300 HydrophobicContact CD1-CG 4.4Å; L264-P300 HydrophobicContact CD2-CB 4.17Å; L264-P300 HydrophobicContact CD2-CG 4.08Å; L264-L302 HydrophobicContact CB-CD1 4.16Å; L264-L332 HydrophobicContact CB-CD1 4.12Å; L264-L332 HydrophobicContact CD1-CD1 4.46Å; L264-L332 HydrophobicContact CD2-CD1 3.94Å; L264-L332 HydrophobicContact CG-CD1 4.4Å; L264-L396 HydrophobicContact CD1-CD1 3.4Å; L264-L396 VanDerWaalsContact CD1-CD1 3.4Å; L264-L396 HydrophobicContact CD1-CD2 4.03Å; L264-L396 HydrophobicContact CD1-CG 4.39Å; L264-L398 HydrophobicContact CD1-CD2 4.43Å |
| 265 | L | 96.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.1 | -34.4 | 179.8 | -67.7 | 171.6 | 0 | 0 | 0 | 113.2 | V16 F20 F142 I144 T175 V261 A262 N263 I268 T269 | V16-L265 HydrophobicContact CG1-CD1 4.46Å; F20-L265 HydrophobicContact CB-CD1 4.36Å; F20-L265 HydrophobicContact CD2-CB 3.53Å; F20-L265 HydrophobicContact CD2-CD1 4.13Å; F20-L265 HydrophobicContact CE2-CB 3.76Å; F20-L265 HydrophobicContact CG-CB 4.47Å; F20-L265 HydrophobicContact CG-CD1 4.3Å; F142-L265 HydrophobicContact CD1-CD2 4.11Å; F142-L265 HydrophobicContact CE1-CD2 4.47Å; I144-L265 HydrophobicContact CD1-CD1 3.41Å; I144-L265 VanDerWaalsContact CD1-CD1 3.41Å; I144-L265 HydrophobicContact CG1-CD1 4.11Å; T175-L265 WeakPolarHBondContact OG1-CD2 3.03Å; V261-L265 PolarHBondContact O-N 2.8Å; V261-L265 VanDerWaalsContact O-N 3.16Å; A262-L265 PolarHBondContact O-N 3.27Å; N263-L265 VanDerWaalsContact C-N 3.33Å; N263-L265 PolarHBondContact O-N 2.63Å; L265-I268 WeakPolarHBondContact O-CG2 3.45Å; L265-T269 WeakPolarHBondContact O-CB 3.5Å; L265-T269 WeakPolarHBondContact O-CG2 3.34Å; L265-T269 PolarHBondContact O-N 2.99Å; L265-T269 PolarHBondContact O-OG1 3.33Å |
| 266 | L | 94.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.3 | -38.1 | 174.6 | -69.1 | 175.2 | 0 | 0 | 0 | 112.5 | F20 L23 A24 A262 N263 L264 T269 S270 R273 | F20-L266 HydrophobicContact CD2-CD2 4.09Å; F20-L266 HydrophobicContact CD2-CG 4.27Å; F20-L266 HydrophobicContact CE2-CD2 3.83Å; F20-L266 HydrophobicContact CE2-CG 4.35Å; L23-L266 HydrophobicContact CB-CD1 3.5Å; L23-L266 VanDerWaalsContact CB-CD1 3.5Å; L23-L266 HydrophobicContact CD1-CD1 4.41Å; A24-L266 HydrophobicContact CB-CD2 3.79Å; A262-L266 WeakPolarHBondContact O-CG 3.37Å; A262-L266 PolarHBondContact O-N 3.33Å; N263-L266 PolarHBondContact O-N 2.72Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 2.93Å; L266-T269 PolarHBondContact O-OG1 3.14Å; L266-S270 PolarHBondContact O-N 2.59Å; L266-R273 PolarHBondContact O-NH2 3.26Å |
| 267 | N | 94.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.2 | -44.5 | 178.5 | -79 | -84.7 | 0 | 0 | 0 | 111.5 | N263 L264 T269 S270 L302 R350 S394 L396 | N263-N267 WeakPolarHBondContact O-CB 3.36Å; N263-N267 PolarHBondContact O-N 3.08Å; N263-N267 PolarHBondContact O-ND2 3.43Å; L264-N267 PolarHBondContact O-N 3.23Å; N267-T269 VanDerWaalsContact C-N 3.27Å; N267-T269 PolarHBondContact O-N 3.05Å; N267-S270 WeakPolarHBondContact O-CB 3.47Å; N267-S270 PolarHBondContact O-N 2.79Å; N267-S270 PolarHBondContact O-OG 3.12Å; N267-L302 HydrophobicContact CB-CD2 4.47Å; N267-R350 WeakPolarHBondContact OD1-CD 3.42Å; N267-S394 PolarHBondContact OD1-OG 3.36Å; N267-L396 HydrophobicContact CB-CB 3.67Å; N267-L396 HydrophobicContact CB-CD2 3.75Å; N267-L396 HydrophobicContact CB-CG 4.31Å |
| 268 | I | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.9 | -33.2 | 179.1 | -166.1 | 175.5 | 0 | 0 | 0 | 112.2 | F142 I173 L207 L264 L265 L282 I285 M348 L396 L398 | F142-I268 HydrophobicContact CE1-CG2 4.21Å; I173-I268 HydrophobicContact CG2-CD1 4.47Å; L207-I268 HydrophobicContact CD1-CD1 3.74Å; L264-I268 WeakPolarHBondContact O-CG2 3.41Å; L264-I268 PolarHBondContact O-N 3.3Å; L265-I268 WeakPolarHBondContact O-CG2 3.45Å; I268-L282 HydrophobicContact CG1-CD2 4.31Å; I268-L282 WeakPolarHBondContact O-CD2 3.45Å; I268-I285 HydrophobicContact CD1-CD1 3.69Å; I268-I285 HydrophobicContact CG1-CD1 3.46Å; I268-I285 VanDerWaalsContact CG1-CD1 3.46Å; I268-M348 HydrophobicContact CB-SD 4.38Å; I268-M348 HydrophobicContact CG1-SD 4.1Å; I268-M348 WeakPolarHBondContact O-CE 3.21Å; I268-L396 HydrophobicContact CB-CD2 3.75Å; I268-L396 HydrophobicContact CG1-CD2 4.5Å; I268-L398 HydrophobicContact CD1-CD1 3.91Å; I268-L398 HydrophobicContact CG1-CD1 4.2Å |
| 269 | T | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1 | -179.8 | 61 | 0 | 0 | 0 | 0 | 113.6 | F44 F142 L265 L266 N267 S271 S272 R273 | F44-T269 HydrophobicContact CE2-CG2 3.89Å; F44-T269 HydrophobicContact CZ-CG2 3.46Å; F44-T269 VanDerWaalsContact CZ-CG2 3.46Å; F142-T269 HydrophobicContact CE1-CG2 4.31Å; F142-T269 HydrophobicContact CE2-CG2 3.78Å; F142-T269 HydrophobicContact CZ-CG2 3.51Å; L265-T269 WeakPolarHBondContact O-CB 3.5Å; L265-T269 WeakPolarHBondContact O-CG2 3.34Å; L265-T269 PolarHBondContact O-N 2.99Å; L265-T269 PolarHBondContact O-OG1 3.33Å; L266-T269 PolarHBondContact O-OG1 3.14Å; N267-T269 VanDerWaalsContact C-N 3.27Å; N267-T269 PolarHBondContact O-N 3.05Å; T269-S271 PolarHBondContact O-N 3.12Å; T269-S272 PolarHBondContact O-N 3.05Å; T269-S272 VanDerWaalsContact O-N 3.13Å; T269-S272 PolarHBondContact O-OG 2.84Å; T269-R273 PolarHBondContact O-N 3.48Å; T269-R273 PolarHBondContact O-NE 3.47Å; T269-R273 PolarHBondContact OG1-NE 3.3Å; T269-R273 VanDerWaalsContact OG1-NE 3.12Å |
| 270 | S | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | -171.4 | 60 | 0 | 0 | 0 | 0 | 113.3 | L266 N267 S272 R273 F274 R350 | L266-S270 PolarHBondContact O-N 2.59Å; N267-S270 WeakPolarHBondContact O-CB 3.47Å; N267-S270 PolarHBondContact O-N 2.79Å; N267-S270 PolarHBondContact O-OG 3.12Å; S270-S272 VanDerWaalsContact C-N 3.27Å; S270-S272 PolarHBondContact O-N 3.4Å; S270-R273 PolarHBondContact O-N 3.35Å; S270-F274 PolarHBondContact O-N 3.18Å; S270-R350 VanDerWaalsContact CB-NE 3.32Å |
| 271 | S | 90.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 23.5 Ų | 23.5 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.1 | -22.8 | 177.9 | -66.5 | 0 | 0 | 0 | 0 | 114.3 | T269 M280 | T269-S271 PolarHBondContact O-N 3.12Å; S271-M280 VanDerWaalsContact CB-O 3.26Å; S271-M280 WeakPolarHBondContact CB-O 3.44Å |
| 272 | S | 87.3 | Confident | 91.4 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -82.1 | -18.7 | 175.2 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | M1 S43 T269 S270 | M1-S272 VanDerWaalsContact SD-O 3.41Å; S43-S272 PolarHBondContact OG-O 3.24Å; T269-S272 PolarHBondContact O-N 3.05Å; T269-S272 VanDerWaalsContact O-N 3.13Å; T269-S272 PolarHBondContact O-OG 2.84Å; S270-S272 VanDerWaalsContact C-N 3.27Å; S270-S272 PolarHBondContact O-N 3.4Å |
| 273 | R | 90.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -105.8 | -39.2 | -175.3 | -67 | -176.4 | -66.8 | 121.5 | 1.1 | 112.3 | E27 H28 A40 F44 L266 T269 S270 | E27-R273 IonicContact OE2-CZ 3.61Å; E27-R273 IonicContact OE2-NH1 2.64Å; E27-R273 PolarHBondContact OE2-NH1 3.33Å; E27-R273 IonicContact OE2-NH2 3.51Å; E27-R273 PolarHBondContact OE2-NH2 3.47Å; H28-R273 PolarHBondContact NE2-NH1 2.76Å; A40-R273 WeakPolarHBondContact CA-O 3.47Å; A40-R273 WeakPolarHBondContact CB-O 3.29Å; F44-R273 HydrophobicContact CD2-CG 4.2Å; F44-R273 HydrophobicContact CE2-CG 4.04Å; L266-R273 PolarHBondContact O-NH2 3.26Å; T269-R273 PolarHBondContact O-N 3.48Å; T269-R273 PolarHBondContact O-NE 3.47Å; T269-R273 PolarHBondContact OG1-NE 3.3Å; T269-R273 VanDerWaalsContact OG1-NE 3.12Å; S270-R273 PolarHBondContact O-N 3.35Å |
| 274 | F | 91.5 | Very high | 91 | Very high | 10 Ų | 10 | 27.8 Ų | 27.8 | 4% | 0.044 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -124.6 | 144 | -172.1 | -56.9 | -61.6 | 0 | 0 | 0 | 111.1 | E27 H28 V31 A40 S270 C384 V386 | E27-F274 HydrophobicContact CG-CE2 3.9Å; E27-F274 HydrophobicContact CG-CZ 3.87Å; H28-F274 AromaticContact CE1-CE1 3.81Å; H28-F274 AromaticContact CE1-CZ 3.76Å; H28-F274 AromaticContact ND1-CE1 3.73Å; H28-F274 AromaticContact ND1-CZ 3.87Å; V31-F274 HydrophobicContact CG2-CE1 4.2Å; A40-F274 HydrophobicContact CB-CD1 4.03Å; A40-F274 HydrophobicContact CB-CE1 4Å; S270-F274 PolarHBondContact O-N 3.18Å; F274-C384 VanDerWaalsContact CB-SG 3.54Å; F274-V386 HydrophobicContact CB-CB 3.96Å; F274-V386 HydrophobicContact CB-CG2 3.77Å; F274-V386 HydrophobicContact CD1-CB 4.37Å; F274-V386 HydrophobicContact CD1-CG1 4.31Å; F274-V386 HydrophobicContact CD1-CG2 4.05Å; F274-V386 HydrophobicContact CD2-CB 4.06Å; F274-V386 HydrophobicContact CD2-CG1 4.02Å; F274-V386 HydrophobicContact CE1-CG1 4.44Å; F274-V386 HydrophobicContact CE2-CG1 4.14Å; F274-V386 HydrophobicContact CG-CB 3.88Å; F274-V386 HydrophobicContact CG-CG1 4.1Å; F274-V386 HydrophobicContact CG-CG2 3.89Å; F274-V386 HydrophobicContact CZ-CG1 4.37Å |
| 275 | D | 87.1 | Confident | 90.7 | Very high | 119 Ų | 119 | 27.9 Ų | 27.9 | 64% | 0.636 | 16% | 0.158 | S | C | * | . | trans | -65.5 | 144.7 | 177.7 | -63.3 | -42.7 | 0 | 0 | 0 | 112.2 | S385 | D275-S385 PolarHBondContact O-N 3.37Š| ||
| 276 | G | 88.4 | Confident | 90.5 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 162.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | L278 N279 L383 | G276-L278 VanDerWaalsContact C-N 3.25Å; G276-L278 PolarHBondContact O-N 3.12Å; G276-N279 WeakPolarHBondContact CA-OD1 3.38Å; G276-N279 PolarHBondContact N-OD1 3.02Å; G276-N279 PolarHBondContact O-OD1 2.79Å; G276-L383 CarbonylContact C-O 3.53Å; G276-L383 WeakPolarHBondContact CA-O 3.39Å |
| 277 | S | 88.7 | Confident | 90.3 | Very high | 75 Ų | 75 | 34 Ų | 34 | 52% | 0.524 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -24.8 | 174.5 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | L383 | S277-L383 PolarHBondContact N-O 2.68Å; S277-L383 VanDerWaalsContact N-O 3.09Å |
| 278 | L | 89.8 | Confident | 90.2 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 102.1 | 175 | -63.8 | 171.6 | 0 | 0 | 0 | 108.5 | G276 V355 L358 G382 L383 | G276-L278 VanDerWaalsContact C-N 3.25Å; G276-L278 PolarHBondContact O-N 3.12Å; L278-V355 HydrophobicContact CD1-CG1 4.11Å; L278-V355 HydrophobicContact CD1-CG2 4.03Å; L278-V355 HydrophobicContact CG-CG2 4.16Å; L278-L358 HydrophobicContact CD1-CD2 4.06Å; L278-G382 CarbonylContact O-C 3.44Å; L278-G382 WeakPolarHBondContact O-CA 3.22Å; L278-L383 HydrophobicContact CB-CB 4.01Å; L278-L383 HydrophobicContact CD1-CB 4.42Å; L278-L383 HydrophobicContact CG-CB 4.44Å; L278-L383 PolarHBondContact N-O 3.21Å; L278-L383 PolarHBondContact O-N 3.37Å |
| 279 | N | 86.4 | Confident | 90.2 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | trans | -85.4 | 130.5 | 177 | -64.9 | -22.7 | 0 | 0 | 0 | 109.5 | G276 | G276-N279 WeakPolarHBondContact CA-OD1 3.38Å; G276-N279 PolarHBondContact N-OD1 3.02Å; G276-N279 PolarHBondContact O-OD1 2.79Å | ||
| 280 | M | 87.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | trans | -106.7 | 128.9 | 170.3 | -174.2 | -156.1 | -60.2 | 0 | 0 | 108.3 | S271 E284 I285 A346 M348 K380 | S271-M280 VanDerWaalsContact CB-O 3.26Å; S271-M280 WeakPolarHBondContact CB-O 3.44Å; M280-E284 HydrophobicContact CG-CB 4.33Å; M280-I285 HydrophobicContact SD-CD1 4.07Å; M280-I285 HydrophobicContact SD-CG1 3.52Å; M280-I285 VanDerWaalsContact SD-CG1 3.52Å; M280-A346 HydrophobicContact CE-CB 3.84Å; M280-M348 HydrophobicContact CE-CE 4.17Å; M280-M348 HydrophobicContact CE-CG 3.48Å; M280-M348 VanDerWaalsContact CE-CG 3.48Å; M280-M348 HydrophobicContact CE-SD 4.02Å; M280-M348 HydrophobicContact SD-CE 3.97Å; M280-M348 HydrophobicContact SD-CG 4.34Å; M280-M348 HydrophobicContact SD-SD 4.1Å; M280-K380 HydrophobicContact CE-CG 4.04Å; M280-K380 HydrophobicContact CG-CG 4.37Å; M280-K380 HydrophobicContact SD-CG 4.49Å | ||
| 281 | D | 87.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | trans | -82.1 | 151.1 | 176.5 | -159 | 49.7 | 0 | 0 | 0 | 111.3 | Q139 N283 E284 | Q139-D281 PolarHBondContact NE2-OD1 3.41Å; Q139-D281 PolarHBondContact NE2-OD2 3.07Å; D281-N283 VanDerWaalsContact C-N 3.27Å; D281-N283 PolarHBondContact O-N 3.12Å; D281-E284 HydrophobicContact CB-CB 4.34Å; D281-E284 HydrophobicContact CB-CG 3.93Å; D281-E284 PolarHBondContact N-OE2 3.23Å; D281-E284 VanDerWaalsContact O-CB 3.29Å; D281-E284 WeakPolarHBondContact O-CB 3.35Å; D281-E284 PolarHBondContact O-N 3.25Å; D281-E284 VanDerWaalsContact O-N 3.08Å | ||
| 282 | L | 90.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -31.6 | -178.6 | -64.5 | 172.7 | 0 | 0 | 0 | 112 | Q139 C140 F142 I173 I268 E284 I285 | Q139-L282 HydrophobicContact CG-CB 4.27Å; Q139-L282 VanDerWaalsContact NE2-N 3.13Å; C140-L282 WeakPolarHBondContact SG-CD1 3.12Å; F142-L282 HydrophobicContact CE2-CD1 3.82Å; F142-L282 HydrophobicContact CZ-CD1 3.76Å; F142-L282 HydrophobicContact CZ-CD2 4.09Å; I173-L282 HydrophobicContact CD1-CB 4.25Å; I173-L282 HydrophobicContact CD1-CD2 4.45Å; I268-L282 HydrophobicContact CG1-CD2 4.31Å; I268-L282 WeakPolarHBondContact O-CD2 3.45Å; L282-E284 VanDerWaalsContact C-N 3.27Å; L282-E284 PolarHBondContact O-N 3.35Å; L282-I285 HydrophobicContact CD2-CD1 3.96Å; L282-I285 WeakPolarHBondContact O-CB 3.18Å; L282-I285 PolarHBondContact O-N 3.45Å |
| 283 | N | 89.8 | Confident | 90.5 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69 | -27.6 | 174.2 | -67.6 | -15.7 | 0 | 0 | 0 | 111.9 | Q139 C171 D281 I285 A286 N287 | Q139-N283 PolarHBondContact O-OD1 3.48Å; C171-N283 WeakPolarHBondContact CB-OD1 3.47Å; D281-N283 VanDerWaalsContact C-N 3.27Å; D281-N283 PolarHBondContact O-N 3.12Å; N283-I285 PolarHBondContact O-N 3.33Å; N283-A286 PolarHBondContact O-N 2.74Å; N283-N287 WeakPolarHBondContact O-CB 3.18Å; N283-N287 PolarHBondContact O-N 3.42Å; N283-N287 PolarHBondContact O-ND2 3.08Å |
| 284 | E | 90.6 | Very high | 90.7 | Very high | 60 Ų | 60 | 52.6 Ų | 52.6 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.3 | -22.3 | 174.7 | -74.9 | -172.7 | 145.5 | 0 | 0 | 112.9 | M280 D281 L282 N288 K380 | M280-E284 HydrophobicContact CG-CB 4.33Å; D281-E284 HydrophobicContact CB-CB 4.34Å; D281-E284 HydrophobicContact CB-CG 3.93Å; D281-E284 PolarHBondContact N-OE2 3.23Å; D281-E284 VanDerWaalsContact O-CB 3.29Å; D281-E284 WeakPolarHBondContact O-CB 3.35Å; D281-E284 PolarHBondContact O-N 3.25Å; D281-E284 VanDerWaalsContact O-N 3.08Å; L282-E284 VanDerWaalsContact C-N 3.27Å; L282-E284 PolarHBondContact O-N 3.35Å; E284-N288 WeakPolarHBondContact CB-ND2 3.37Å; E284-N288 WeakPolarHBondContact O-CB 3.32Å; E284-N288 PolarHBondContact O-N 3.39Å; E284-N288 PolarHBondContact O-ND2 2.86Å; E284-K380 IonicContact OE1-NZ 3.55Å; E284-K380 PolarHBondContact OE1-NZ 3.29Å; E284-K380 WeakPolarHBondContact OE2-CE 3.34Å; E284-K380 IonicContact OE2-NZ 2.78Å; E284-K380 PolarHBondContact OE2-NZ 2.99Å |
| 285 | I | 91 | Very high | 90.9 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -54.2 | 176.6 | -62 | 177.9 | 0 | 0 | 0 | 109.3 | I268 M280 L282 N283 L289 L298 L398 | I268-I285 HydrophobicContact CD1-CD1 3.69Å; I268-I285 HydrophobicContact CG1-CD1 3.46Å; I268-I285 VanDerWaalsContact CG1-CD1 3.46Å; M280-I285 HydrophobicContact SD-CD1 4.07Å; M280-I285 HydrophobicContact SD-CG1 3.52Å; M280-I285 VanDerWaalsContact SD-CG1 3.52Å; L282-I285 HydrophobicContact CD2-CD1 3.96Å; L282-I285 WeakPolarHBondContact O-CB 3.18Å; L282-I285 PolarHBondContact O-N 3.45Å; N283-I285 PolarHBondContact O-N 3.33Å; I285-L289 HydrophobicContact CG2-CD1 3.91Å; I285-L289 WeakPolarHBondContact O-CB 3.31Å; I285-L289 WeakPolarHBondContact O-CG 3.19Å; I285-L289 PolarHBondContact O-N 3.43Å; I285-L298 HydrophobicContact CG2-CD1 3.61Å; I285-L398 HydrophobicContact CD1-CD1 4.33Å; I285-L398 HydrophobicContact CG2-CD1 4.09Å |
| 286 | A | 90.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D204 N283 N288 V290 | D204-A286 HydrophobicContact CB-CB 4.06Å; N283-A286 PolarHBondContact O-N 2.74Å; A286-N288 PolarHBondContact O-N 3.36Å; A286-V290 VanDerWaalsContact O-CB 3.22Å; A286-V290 WeakPolarHBondContact O-CB 3.41Å; A286-V290 PolarHBondContact O-N 3.46Å; A286-V290 VanDerWaalsContact O-N 3.12Å |
| 287 | N | 91.3 | Very high | 91.9 | Very high | 126 Ų | 126 | 45.8 Ų | 45.8 | 67% | 0.674 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.8 | -34.1 | -173.6 | -68.5 | -21.2 | 0 | 0 | 0 | 114.5 | N283 | N283-N287 WeakPolarHBondContact O-CB 3.18Å; N283-N287 PolarHBondContact O-N 3.42Å; N283-N287 PolarHBondContact O-ND2 3.08Å |
| 288 | N | 93.3 | Very high | 92.3 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -99.4 | -26.7 | -175.7 | -61.3 | -50.7 | 0 | 0 | 0 | 113.5 | E284 A286 | E284-N288 WeakPolarHBondContact CB-ND2 3.37Å; E284-N288 WeakPolarHBondContact O-CB 3.32Å; E284-N288 PolarHBondContact O-N 3.39Å; E284-N288 PolarHBondContact O-ND2 2.86Å; A286-N288 PolarHBondContact O-N 3.36Å |
| 289 | L | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -98.3 | -12.9 | -176 | -52.1 | -179.4 | 0 | 0 | 0 | 113.4 | I285 P291 L298 A344 A346 K380 L398 N400 | I285-L289 HydrophobicContact CG2-CD1 3.91Å; I285-L289 WeakPolarHBondContact O-CB 3.31Å; I285-L289 WeakPolarHBondContact O-CG 3.19Å; I285-L289 PolarHBondContact O-N 3.43Å; L289-P291 WeakPolarHBondContact O-CD 3.49Å; L289-L298 HydrophobicContact CB-CD1 4.11Å; L289-L298 HydrophobicContact CB-CD2 3.85Å; L289-L298 HydrophobicContact CD1-CD1 3.77Å; L289-A344 HydrophobicContact CB-CB 4.27Å; L289-A344 HydrophobicContact CD2-CB 3.76Å; L289-A346 HydrophobicContact CD1-CB 3.48Å; L289-A346 VanDerWaalsContact CD1-CB 3.48Å; L289-A346 HydrophobicContact CD2-CB 3.97Å; L289-A346 HydrophobicContact CG-CB 4.27Å; L289-K380 HydrophobicContact CD2-CB 4.28Å; L289-L398 HydrophobicContact CD1-CB 4.14Å; L289-N400 VanDerWaalsContact O-CB 3.31Å; L289-N400 WeakPolarHBondContact O-CB 3.3Å; L289-N400 PolarHBondContact O-ND2 3.41Å |
| 290 | V | 95.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | trans | -112.4 | 88.7 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | A286 F292 H296 L298 | A286-V290 VanDerWaalsContact O-CB 3.22Å; A286-V290 WeakPolarHBondContact O-CB 3.41Å; A286-V290 PolarHBondContact O-N 3.46Å; A286-V290 VanDerWaalsContact O-N 3.12Å; V290-F292 VanDerWaalsContact C-N 3.33Å; V290-F292 WeakPolarHBondContact CG1-O 3.49Å; V290-H296 HydrophobicContact CB-CB 4.31Å; V290-H296 HydrophobicContact CG1-CB 3.55Å; V290-H296 HydrophobicContact CG2-CB 3.74Å; V290-L298 HydrophobicContact CG2-CD2 4.49Å | ||
| 291 | P | 91.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 35 Ų | 35 | 34% | 0.338 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -75.6 | -22.8 | 178.6 | 30.3 | -35.8 | 0 | 0 | 0 | 113.1 | L289 L343 W374 | L289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-L343 HydrophobicContact CG-CB 4.1Å; P291-L343 HydrophobicContact CG-CD2 3.87Å; P291-L343 HydrophobicContact CG-CG 4.4Å; P291-W374 HydrophobicContact CB-CH2 3.58Å; P291-W374 HydrophobicContact CB-CZ3 4.09Å; P291-W374 HydrophobicContact CG-CH2 3.77Å |
| 292 | F | 93.8 | Very high | 93.8 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 38% | 0.377 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -127.1 | 128.8 | 178.5 | -58.3 | -74.6 | 0 | 0 | 0 | 109.1 | V290 R294 L295 L343 W374 L456 | V290-F292 VanDerWaalsContact C-N 3.33Å; V290-F292 WeakPolarHBondContact CG1-O 3.49Å; F292-R294 PolarHBondContact O-N 3.5Å; F292-L295 HydrophobicContact CB-CB 4.11Å; F292-L295 HydrophobicContact CB-CD1 4.12Å; F292-L295 HydrophobicContact CB-CG 3.95Å; F292-L295 HydrophobicContact CD2-CD1 3.78Å; F292-L295 HydrophobicContact CG-CD1 4.24Å; F292-L295 PolarHBondContact O-N 3.18Å; F292-L343 HydrophobicContact CD2-CD2 4.26Å; F292-W374 HydrophobicContact CE2-CH2 4.27Å; F292-W374 AromaticContact CE2-CZ2 3.83Å; F292-W374 HydrophobicContact CE2-CZ2 3.83Å; F292-W374 HydrophobicContact CZ-CZ2 4.18Å; F292-L456 HydrophobicContact CE2-CD2 4.48Å |
| 293 | P | 90.4 | Very high | 93.8 | Very high | 114 Ų | 114 | 32.6 Ų | 32.6 | 74% | 0.74 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33.5 | -172.6 | -30.3 | 35.5 | 0 | 0 | 0 | 114.9 | H296 | P293-H296 PolarHBondContact O-ND1 2.94Š|
| 294 | R | 94.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 31.9 Ų | 31.9 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -20.6 | 178.8 | -62.8 | -173.7 | 69.8 | -139.6 | -1.7 | 114.2 | T200 F292 H296 S445 L449 E452 | T200-R294 HydrophobicContact CG2-CB 4.16Å; T200-R294 HydrophobicContact CG2-CG 4.21Å; F292-R294 PolarHBondContact O-N 3.5Å; R294-H296 VanDerWaalsContact C-N 3.33Å; R294-H296 PolarHBondContact O-N 3.31Å; R294-S445 PolarHBondContact NH2-O 3.48Å; R294-S445 PolarHBondContact NH2-OG 3.34Å; R294-L449 HydrophobicContact CB-CD1 4.37Å; R294-L449 WeakPolarHBondContact O-CD1 3.5Å; R294-E452 IonicContact CZ-OE1 2.84Å; R294-E452 IonicContact CZ-OE2 2.67Å; R294-E452 IonicContact NH1-OE1 2.93Å; R294-E452 PolarHBondContact NH1-OE1 3.1Å; R294-E452 IonicContact NH1-OE2 3.13Å; R294-E452 PolarHBondContact NH1-OE2 3.45Å |
| 295 | L | 96.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | trans | -97.5 | 52.9 | -174.9 | -52.6 | -172 | 0 | 0 | 0 | 110.5 | F292 L343 N400 L449 E452 Y453 L456 | F292-L295 HydrophobicContact CB-CB 4.11Å; F292-L295 HydrophobicContact CB-CD1 4.12Å; F292-L295 HydrophobicContact CB-CG 3.95Å; F292-L295 HydrophobicContact CD2-CD1 3.78Å; F292-L295 HydrophobicContact CG-CD1 4.24Å; F292-L295 PolarHBondContact O-N 3.18Å; L295-L343 HydrophobicContact CB-CD2 4.4Å; L295-L343 HydrophobicContact CD1-CD2 4.15Å; L295-N400 PolarHBondContact O-ND2 2.96Å; L295-N400 PolarHBondContact O-OD1 3.43Å; L295-L449 HydrophobicContact CD2-CD1 3.54Å; L295-E452 HydrophobicContact CD2-CB 3.98Å; L295-E452 WeakPolarHBondContact CD2-OE2 3.47Å; L295-Y453 HydrophobicContact CB-CE1 4.26Å; L295-Y453 HydrophobicContact CD1-CE1 4.49Å; L295-Y453 HydrophobicContact CD2-CD1 4.43Å; L295-Y453 HydrophobicContact CD2-CD2 3.95Å; L295-Y453 HydrophobicContact CD2-CE1 4.18Å; L295-Y453 HydrophobicContact CD2-CE2 3.64Å; L295-Y453 HydrophobicContact CD2-CG 4.33Å; L295-L456 HydrophobicContact CD1-CD1 3.44Å; L295-L456 VanDerWaalsContact CD1-CD1 3.44Å | ||
| 296 | H | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -103.8 | 19.8 | -173 | 57.9 | -122.8 | 0 | 0 | 0 | 114.5 | L199 T200 A203 D204 V206 V290 P293 R294 L298 | L199-H296 PolarHBondContact O-CE1 3.23Å; L199-H296 PolarHBondContact O-NE2 3.32Å; T200-H296 PolarHBondContact O-CE1 3.44Å; A203-H296 PolarHBondContact O-CE1 3.33Å; A203-H296 VanDerWaalsContact O-CE1 3.27Å; A203-H296 PolarHBondContact O-ND1 3.37Å; D204-H296 WeakPolarHBondContact O-CB 3.42Å; V206-H296 PolarHBondContact N-O 2.84Å; V290-H296 HydrophobicContact CB-CB 4.31Å; V290-H296 HydrophobicContact CG1-CB 3.55Å; V290-H296 HydrophobicContact CG2-CB 3.74Å; P293-H296 PolarHBondContact O-ND1 2.94Å; R294-H296 VanDerWaalsContact C-N 3.33Å; R294-H296 PolarHBondContact O-N 3.31Å; H296-L298 PolarHBondContact O-N 2.92Å | ||
| 297 | Y | 97.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -87.1 | 104 | 177.9 | -65.6 | -94.1 | 0 | 0 | 0 | 110.2 | M196 T200 V206 F408 L449 | M196-Y297 HydrophobicContact CE-CE1 4.01Å; M196-Y297 HydrophobicContact CE-CE2 4.24Å; M196-Y297 VanDerWaalsContact CG-OH 3.28Å; M196-Y297 WeakPolarHBondContact CG-OH 3.37Å; M196-Y297 PolarHBondContact O-OH 3.3Å; T200-Y297 WeakPolarHBondContact OG1-CE2 3.36Å; T200-Y297 PolarHBondContact OG1-OH 3.47Å; V206-Y297 HydrophobicContact CB-CD1 3.75Å; V206-Y297 HydrophobicContact CB-CE1 3.95Å; V206-Y297 HydrophobicContact CB-CG 4.4Å; V206-Y297 HydrophobicContact CG1-CD1 3.69Å; V206-Y297 HydrophobicContact CG1-CE1 3.77Å; V206-Y297 HydrophobicContact CG2-CD1 4.43Å; V206-Y297 HydrophobicContact CG2-CE1 4.17Å; V206-Y297 WeakPolarHBondContact O-CA 3.33Å; Y297-F408 HydrophobicContact CD1-CE1 4.43Å; Y297-F408 AromaticContact CD1-CZ 3.72Å; Y297-F408 HydrophobicContact CD1-CZ 3.72Å; Y297-F408 HydrophobicContact CD2-CE2 4.21Å; Y297-F408 HydrophobicContact CD2-CZ 4.03Å; Y297-F408 HydrophobicContact CE1-CZ 4.06Å; Y297-F408 HydrophobicContact CE2-CZ 4.38Å; Y297-F408 HydrophobicContact CG-CE2 4.29Å; Y297-F408 AromaticContact CG-CZ 3.7Å; Y297-F408 HydrophobicContact CG-CZ 3.7Å; Y297-L449 HydrophobicContact CD2-CD2 4.29Å; Y297-L449 HydrophobicContact CE2-CD2 3.64Å |
| 298 | L | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.7 | -177.6 | -54.4 | -173.5 | 0 | 0 | 0 | 110.7 | C205 V206 L207 P208 I285 L289 V290 H296 P300 L398 A399 N400 | C205-L298 WeakPolarHBondContact SG-CD1 3.49Å; V206-L298 PolarHBondContact O-N 3.04Å; L207-L298 HydrophobicContact CD2-CB 4.01Å; L207-L298 HydrophobicContact CD2-CD1 4.47Å; P208-L298 WeakPolarHBondContact CD-O 3.46Å; I285-L298 HydrophobicContact CG2-CD1 3.61Å; L289-L298 HydrophobicContact CB-CD1 4.11Å; L289-L298 HydrophobicContact CB-CD2 3.85Å; L289-L298 HydrophobicContact CD1-CD1 3.77Å; V290-L298 HydrophobicContact CG2-CD2 4.49Å; H296-L298 PolarHBondContact O-N 2.92Å; L298-P300 WeakPolarHBondContact O-CD 3.26Å; L298-L398 HydrophobicContact CB-CB 4.43Å; L298-L398 HydrophobicContact CD1-CB 4.42Å; L298-L398 HydrophobicContact CD1-CD1 4.5Å; L298-A399 CarbonylContact C-O 3.54Å; L298-N400 HydrophobicContact CD2-CB 3.59Å |
| 299 | V | 97.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 116.7 | 178.9 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | I333 A399 V404 | V299-I333 HydrophobicContact CB-CG2 4.34Å; V299-I333 HydrophobicContact CG1-CG2 3.47Å; V299-I333 VanDerWaalsContact CG1-CG2 3.47Å; V299-I333 HydrophobicContact CG2-CG2 4.07Å; V299-A399 PolarHBondContact N-O 3.07Å; V299-A399 PolarHBondContact O-N 3.22Å; V299-V404 HydrophobicContact CG2-CG1 3.29Å |
| 300 | P | 97.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.7 | 179.3 | 20.7 | -8 | 0 | 0 | 0 | 112 | P208 V209 L264 L298 L332 L396 A397 L398 | P208-P300 VanDerWaalsContact O-CD 3.26Å; P208-P300 WeakPolarHBondContact O-CD 3.21Å; V209-P300 HydrophobicContact CG2-CG 4.42Å; L264-P300 HydrophobicContact CD1-CB 3.6Å; L264-P300 HydrophobicContact CD1-CG 4.4Å; L264-P300 HydrophobicContact CD2-CB 4.17Å; L264-P300 HydrophobicContact CD2-CG 4.08Å; L298-P300 WeakPolarHBondContact O-CD 3.26Å; P300-L332 HydrophobicContact CB-CD1 4.02Å; P300-L332 HydrophobicContact CB-CG 4.41Å; P300-L332 HydrophobicContact CG-CB 4.08Å; P300-L332 HydrophobicContact CG-CD1 4.11Å; P300-L332 HydrophobicContact CG-CG 4.44Å; P300-L332 PolarHBondContact O-N 2.87Å; P300-L396 HydrophobicContact CB-CD1 4.37Å; P300-A397 CarbonylContact C-O 3.56Å; P300-A397 WeakPolarHBondContact CA-O 3.31Å; P300-L398 HydrophobicContact CB-CD2 3.93Å |
| 301 | S | 96.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.5 | 170 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | A325 H330 Q331 L396 A397 | S301-A325 WeakPolarHBondContact CB-O 3.37Å; S301-A325 PolarHBondContact OG-O 3.16Å; S301-H330 VanDerWaalsContact CA-O 3.3Å; S301-H330 WeakPolarHBondContact CA-O 3.26Å; S301-H330 WeakPolarHBondContact CB-O 3.38Å; S301-H330 VanDerWaalsContact OG-C 3.28Å; S301-H330 WeakPolarHBondContact OG-CB 3.26Å; S301-H330 PolarHBondContact OG-O 2.68Å; S301-Q331 PolarHBondContact OG-NE2 3.4Å; S301-L396 WeakPolarHBondContact O-CA 3.42Å; S301-L396 WeakPolarHBondContact O-CD1 3.45Å; S301-A397 PolarHBondContact N-O 2.92Å; S301-A397 PolarHBondContact O-N 3.3Å |
| 302 | L | 92.8 | Very high | 78.1 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.1 | -178.8 | -71.9 | 174 | 0 | 0 | 0 | 111.6 | I260 N263 L264 N267 L305 H330 L332 L396 | I260-L302 HydrophobicContact CG2-CD1 3.92Å; I260-L302 WeakPolarHBondContact O-CD1 3.38Å; N263-L302 HydrophobicContact CB-CD1 4.38Å; L264-L302 HydrophobicContact CB-CD1 4.16Å; N267-L302 HydrophobicContact CB-CD2 4.47Å; L302-L305 HydrophobicContact CB-CD2 4.36Å; L302-L305 WeakPolarHBondContact O-CD2 3.42Å; L302-H330 PolarHBondContact N-O 3.25Å; L302-L332 HydrophobicContact CD1-CD1 4.07Å; L302-L332 HydrophobicContact CD1-CD2 4.43Å; L302-L332 HydrophobicContact CG-CD1 4.31Å; L302-L396 HydrophobicContact CD2-CB 4.15Å; L302-L396 HydrophobicContact CD2-CD1 3.87Å |
| 303 | T | 90.4 | Very high | 75.9 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.9 | 174.5 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | M321 D324 A325 S394 L395 | T303-M321 HydrophobicContact CG2-CB 4.16Å; T303-M321 HydrophobicContact CG2-CG 3.54Å; T303-D324 HydrophobicContact CG2-CB 3.75Å; T303-A325 WeakPolarHBondContact OG1-CA 3.36Å; T303-A325 PolarHBondContact OG1-N 3.19Å; T303-S394 CarbonylContact O-C 3.38Å; T303-S394 WeakPolarHBondContact O-CA 3.32Å; T303-L395 PolarHBondContact N-O 2.97Å; T303-L395 PolarHBondContact O-N 3.48Å |
| 304 | P | 84.5 | Confident | 73.7 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | cis | -78 | 150.5 | -10.7 | 34.7 | -34.5 | 0 | 0 | 0 | 111.7 | V240 Y306 H393 | V240-P304 WeakPolarHBondContact CG1-O 3.38Å; P304-Y306 VanDerWaalsContact C-N 3.26Å; P304-Y306 PolarHBondContact O-N 2.99Å; P304-H393 VanDerWaalsContact CD-O 3.28Å; P304-H393 WeakPolarHBondContact CD-O 3.42Å | ||
| 305 | L | 76.9 | Confident | 71.4 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -75.8 | -14.4 | 175.4 | -65 | 171.2 | 0 | 0 | 0 | 112.8 | I217 I221 V240 L302 | I217-L305 HydrophobicContact CG1-CD1 4.26Å; I217-L305 HydrophobicContact CG2-CD1 3.96Å; I217-L305 HydrophobicContact CG2-CD2 3.89Å; I217-L305 HydrophobicContact CG2-CG 4.41Å; I221-L305 HydrophobicContact CD1-CB 4.15Å; I221-L305 HydrophobicContact CG1-CB 4.35Å; V240-L305 HydrophobicContact CG2-CB 4.49Å; V240-L305 HydrophobicContact CG2-CD2 4.16Å; V240-L305 WeakPolarHBondContact CG2-O 3.45Å; V240-L305 PolarHBondContact N-O 2.84Å; L302-L305 HydrophobicContact CB-CD2 4.36Å; L302-L305 WeakPolarHBondContact O-CD2 3.42Å |
| 306 | Y | 68.9 | Low | 69.5 | Low | 59 Ų | 59 | 51.9 Ų | 51.9 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -153.3 | 155.9 | 179.5 | 55.8 | -88.8 | 0 | 0 | 0 | 111.1 | M224 L234 S238 P304 L308 | M224-Y306 HydrophobicContact CE-CE1 3.72Å; M224-Y306 HydrophobicContact CE-CE2 3.84Å; M224-Y306 WeakPolarHBondContact CE-OH 3.41Å; M224-Y306 HydrophobicContact SD-CD1 4.23Å; M224-Y306 HydrophobicContact SD-CE1 3.53Å; M224-Y306 VanDerWaalsContact SD-CE1 3.53Å; L234-Y306 HydrophobicContact CD2-CD2 3.96Å; L234-Y306 HydrophobicContact CD2-CG 4.49Å; S238-Y306 CarbonylContact O-C 3.59Å; P304-Y306 VanDerWaalsContact C-N 3.26Å; P304-Y306 PolarHBondContact O-N 2.99Å; Y306-L308 HydrophobicContact CD2-CG 4.2Å; Y306-L308 HydrophobicContact CE2-CD1 4.22Å; Y306-L308 HydrophobicContact CE2-CG 4.1Å |
| 307 | T | 57.3 | Low | 68.2 | Low | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | trans | -109.2 | 132.5 | 165.2 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | L234 S238 G390 H391 | L234-T307 VanDerWaalsContact CD2-O 3.31Å; L234-T307 WeakPolarHBondContact CD2-O 3.34Å; S238-T307 VanDerWaalsContact C-OG1 3.26Å; S238-T307 WeakPolarHBondContact CA-OG1 3.17Å; S238-T307 WeakPolarHBondContact CB-OG1 3.32Å; S238-T307 WeakPolarHBondContact O-CB 3.34Å; S238-T307 PolarHBondContact O-N 2.81Å; S238-T307 PolarHBondContact O-OG1 3.19Å; S238-T307 PolarHBondContact OG-OG1 3.5Å; T307-G390 VanDerWaalsContact CG2-O 3.31Å; T307-G390 WeakPolarHBondContact CG2-O 3.22Å; T307-G390 PolarHBondContact OG1-O 2.95Å; T307-H391 HydrophobicContact CG2-CB 4.13Å; T307-H391 VanDerWaalsContact CG2-ND1 3.35Å; T307-H391 WeakPolarHBondContact CG2-ND1 3.33Å | ||
| 308 | L | 49.7 | Very low | 67.3 | Low | 48 Ų | 48 | 58.5 Ų | 58.5 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | trans | -87.9 | 110.7 | 169.1 | -68.4 | 164.5 | 0 | 0 | 0 | 107.2 | L234 Y306 D310 | L234-L308 HydrophobicContact CD1-CD2 4.26Å; L234-L308 HydrophobicContact CD2-CD2 3.4Å; L234-L308 VanDerWaalsContact CD2-CD2 3.4Å; L234-L308 HydrophobicContact CD2-CG 4.08Å; L234-L308 HydrophobicContact CG-CD2 3.64Å; Y306-L308 HydrophobicContact CD2-CG 4.2Å; Y306-L308 HydrophobicContact CE2-CD1 4.22Å; Y306-L308 HydrophobicContact CE2-CG 4.1Å; L308-D310 VanDerWaalsContact C-N 3.27Å; L308-D310 PolarHBondContact O-N 3.35Å | ||
| 309 | A | 44.1 | Very low | 66.8 | Low | 35 Ų | 35 | 60.4 Ų | 60.4 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -69 | -14.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K235 | K235-A309 HydrophobicContact CB-CB 4.16Å; K235-A309 HydrophobicContact CD-CB 3.69Å; K235-A309 HydrophobicContact CG-CB 3.73Å |
| 310 | D | 39.3 | Very low | 66.3 | Low | 123 Ų | 123 | 65.3 Ų | 65.3 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -144.2 | 68.7 | -171.5 | -90.1 | -46.9 | 0 | 0 | 0 | 114.1 | L308 | L308-D310 VanDerWaalsContact C-N 3.27Å; L308-D310 PolarHBondContact O-N 3.35Å |
| 311 | V | 39.8 | Very low | 65.9 | Low | 73 Ų | 73 | 66 Ų | 66 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | trans | -137.2 | 133.2 | 155.2 | -169.2 | 0 | 0 | 0 | 0 | 107.3 | I313 | V311-I313 HydrophobicContact CB-CD1 4.13Å; V311-I313 HydrophobicContact CB-CG1 3.7Å; V311-I313 HydrophobicContact CG1-CG1 4.17Å; V311-I313 WeakPolarHBondContact O-CD1 3.45Å; V311-I313 WeakPolarHBondContact O-CG1 3.27Å; V311-I313 PolarHBondContact O-N 3.02Å | ||
| 312 | N | 38.3 | Very low | 65.7 | Low | 169 Ų | 169 | 66 Ų | 66 | 90% | 0.904 | 34% | 0.34 | S | S | * | . | trans | -61.7 | 103.5 | 159.7 | -93.3 | -33.2 | 0 | 0 | 0 | 107.1 | ||||
| 313 | I | 48.3 | Very low | 65.7 | Low | 73 Ų | 73 | 66.8 Ų | 66.8 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | trans | -101.6 | 122.5 | -162.2 | -74.9 | 151.1 | 0 | 0 | 0 | 111.1 | V311 R317 | V311-I313 HydrophobicContact CB-CD1 4.13Å; V311-I313 HydrophobicContact CB-CG1 3.7Å; V311-I313 HydrophobicContact CG1-CG1 4.17Å; V311-I313 WeakPolarHBondContact O-CD1 3.45Å; V311-I313 WeakPolarHBondContact O-CG1 3.27Å; V311-I313 PolarHBondContact O-N 3.02Å; I313-R317 HydrophobicContact CG2-CB 4.04Å; I313-R317 HydrophobicContact CG2-CG 3.44Å; I313-R317 VanDerWaalsContact CG2-CG 3.44Å; I313-R317 VanDerWaalsContact CG2-NE 3.25Å | ||
| 314 | P | 44.2 | Very low | 65.7 | Low | 85 Ų | 85 | 68.5 Ų | 68.5 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | trans | -71.2 | 156.8 | 179.4 | 26.1 | -31.2 | 0 | 0 | 0 | 112.8 | R316 R317 | P314-R316 PolarHBondContact O-N 2.84Å; P314-R317 PolarHBondContact O-N 3.19Å | ||
| 315 | T | 46.1 | Very low | 66.1 | Low | 135 Ų | 135 | 66.9 Ų | 66.9 | 83% | 0.828 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -12.8 | 179.8 | 34.8 | 0 | 0 | 0 | 0 | 116.6 | R317 | T315-R317 PolarHBondContact O-N 2.72Š|
| 316 | R | 55.2 | Low | 66.9 | Low | 215 Ų | 215 | 66.8 Ų | 66.8 | 81% | 0.811 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.8 | -7.3 | 177 | -71.3 | -176.8 | 176.8 | 174.6 | -1 | 115 | P314 | P314-R316 PolarHBondContact O-N 2.84Å |
| 317 | R | 69.2 | Low | 68 | Low | 109 Ų | 109 | 65 Ų | 65 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -86.2 | -27.6 | -176.6 | -69.3 | -146.8 | -168.6 | 164.8 | -3.3 | 115.6 | I313 P314 T315 D319 Q320 M321 | I313-R317 HydrophobicContact CG2-CB 4.04Å; I313-R317 HydrophobicContact CG2-CG 3.44Å; I313-R317 VanDerWaalsContact CG2-CG 3.44Å; I313-R317 VanDerWaalsContact CG2-NE 3.25Å; P314-R317 PolarHBondContact O-N 3.19Å; T315-R317 PolarHBondContact O-N 2.72Å; R317-D319 VanDerWaalsContact C-N 3.35Å; R317-Q320 PolarHBondContact O-N 2.9Å; R317-M321 PolarHBondContact O-N 2.83Å |
| 318 | L | 80.1 | Confident | 69.6 | Low | 31 Ų | 31 | 69.7 Ų | 69.7 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 177.6 | -172.9 | 139.8 | 0 | 0 | 0 | 109.8 | Q320 M321 F322 V353 D357 N361 | L318-Q320 VanDerWaalsContact C-N 3.28Å; L318-Q320 PolarHBondContact O-N 2.88Å; L318-M321 HydrophobicContact CG-CE 4.35Å; L318-M321 WeakPolarHBondContact O-CB 3.17Å; L318-M321 PolarHBondContact O-N 3.18Å; L318-M321 VanDerWaalsContact O-N 3.12Å; L318-F322 HydrophobicContact CD2-CD2 3.93Å; L318-F322 HydrophobicContact CD2-CE2 3.61Å; L318-F322 HydrophobicContact CG-CD2 4.41Å; L318-F322 HydrophobicContact CG-CE2 4.12Å; L318-F322 VanDerWaalsContact O-CD2 3.31Å; L318-F322 WeakPolarHBondContact O-CD2 3.49Å; L318-F322 PolarHBondContact O-N 3.43Å; L318-V353 HydrophobicContact CD1-CB 4.19Å; L318-V353 HydrophobicContact CD1-CG1 3.7Å; L318-V353 HydrophobicContact CD1-CG2 3.55Å; L318-D357 HydrophobicContact CD2-CB 4.1Å; L318-N361 VanDerWaalsContact CD2-ND2 3.29Å; L318-N361 WeakPolarHBondContact CD2-ND2 3.25Å |
| 319 | D | 87.6 | Confident | 71.4 | Confident | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 176.8 | -59.3 | -8.1 | 0 | 0 | 0 | 112.1 | R317 F322 S323 R360 N361 R364 | R317-D319 VanDerWaalsContact C-N 3.35Å; D319-F322 PolarHBondContact O-N 3.45Å; D319-S323 PolarHBondContact O-N 2.82Å; D319-S323 VanDerWaalsContact O-N 3.13Å; D319-R360 IonicContact OD1-CZ 3.83Å; D319-R360 IonicContact OD1-NE 3.36Å; D319-R360 IonicContact OD1-NH2 2.74Å; D319-R360 PolarHBondContact OD1-NH2 3.22Å; D319-R360 IonicContact OD2-NH2 3.6Å; D319-N361 VanDerWaalsContact CA-OD1 3.25Å; D319-N361 WeakPolarHBondContact CA-OD1 3.42Å; D319-N361 WeakPolarHBondContact CB-OD1 3.2Å; D319-N361 PolarHBondContact OD1-ND2 2.94Å; D319-N361 PolarHBondContact OD1-OD1 3.23Å; D319-R364 PolarHBondContact O-NH2 3.27Å |
| 320 | Q | 86.5 | Confident | 73.7 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.5 | -171.1 | 61.8 | 50.1 | 0 | 0 | 111.8 | R317 L318 F322 S323 D324 | R317-Q320 PolarHBondContact O-N 2.9Å; L318-Q320 VanDerWaalsContact C-N 3.28Å; L318-Q320 PolarHBondContact O-N 2.88Å; Q320-F322 VanDerWaalsContact C-N 3.26Å; Q320-F322 PolarHBondContact O-N 2.93Å; Q320-S323 CarbonylContact O-C 3.57Å; Q320-S323 WeakPolarHBondContact O-CA 3.38Å; Q320-S323 PolarHBondContact O-N 3.5Å; Q320-D324 PolarHBondContact NE2-OD1 3.29Å; Q320-D324 WeakPolarHBondContact O-CB 2.97Å; Q320-D324 VanDerWaalsContact O-CG 3.24Å; Q320-D324 PolarHBondContact O-N 3.14Å |
| 321 | M | 88.6 | Confident | 76.3 | Confident | 15 Ų | 15 | 66.2 Ų | 66.2 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.1 | -42.6 | 176.7 | -179.3 | -176.2 | 69.9 | 0 | 0 | 112 | T303 R317 L318 D324 A325 H393 L395 | T303-M321 HydrophobicContact CG2-CB 4.16Å; T303-M321 HydrophobicContact CG2-CG 3.54Å; R317-M321 PolarHBondContact O-N 2.83Å; L318-M321 HydrophobicContact CG-CE 4.35Å; L318-M321 WeakPolarHBondContact O-CB 3.17Å; L318-M321 PolarHBondContact O-N 3.18Å; L318-M321 VanDerWaalsContact O-N 3.12Å; M321-D324 PolarHBondContact O-N 3.33Å; M321-A325 PolarHBondContact O-N 3.44Å; M321-A325 VanDerWaalsContact O-N 3.1Å; M321-H393 HydrophobicContact SD-CB 4.32Å; M321-L395 HydrophobicContact CE-CB 3.81Å; M321-L395 HydrophobicContact CG-CB 4.02Å; M321-L395 HydrophobicContact CG-CD2 4.47Å; M321-L395 HydrophobicContact SD-CB 3.9Å |
| 322 | F | 92.8 | Very high | 79 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 175 | -83.2 | -99.9 | 0 | 0 | 0 | 112.3 | L318 D319 Q320 F326 L347 V349 L358 N361 L365 L395 | L318-F322 HydrophobicContact CD2-CD2 3.93Å; L318-F322 HydrophobicContact CD2-CE2 3.61Å; L318-F322 HydrophobicContact CG-CD2 4.41Å; L318-F322 HydrophobicContact CG-CE2 4.12Å; L318-F322 VanDerWaalsContact O-CD2 3.31Å; L318-F322 WeakPolarHBondContact O-CD2 3.49Å; L318-F322 PolarHBondContact O-N 3.43Å; D319-F322 PolarHBondContact O-N 3.45Å; Q320-F322 VanDerWaalsContact C-N 3.26Å; Q320-F322 PolarHBondContact O-N 2.93Å; F322-F326 WeakPolarHBondContact O-CD2 3.12Å; F322-L347 HydrophobicContact CD1-CD1 3.96Å; F322-L347 HydrophobicContact CE1-CD1 3.75Å; F322-V349 HydrophobicContact CE1-CG2 4.34Å; F322-V349 HydrophobicContact CE2-CG2 4.49Å; F322-V349 HydrophobicContact CZ-CG2 3.7Å; F322-L358 HydrophobicContact CE1-CD1 3.59Å; F322-L358 HydrophobicContact CZ-CD1 3.69Å; F322-N361 HydrophobicContact CB-CB 4.14Å; F322-N361 HydrophobicContact CD1-CB 3.64Å; F322-N361 HydrophobicContact CD2-CB 4Å; F322-N361 HydrophobicContact CE1-CB 3.95Å; F322-N361 HydrophobicContact CE2-CB 4.3Å; F322-N361 HydrophobicContact CG-CB 3.66Å; F322-N361 HydrophobicContact CZ-CB 4.26Å; F322-L365 HydrophobicContact CB-CD1 4.01Å; F322-L365 HydrophobicContact CD1-CD1 4.22Å; F322-L395 HydrophobicContact CB-CD2 4.4Å; F322-L395 HydrophobicContact CD1-CD2 3.92Å; F322-L395 HydrophobicContact CD2-CD2 4.21Å; F322-L395 HydrophobicContact CE1-CD2 4.24Å; F322-L395 HydrophobicContact CG-CD2 3.91Å |
| 323 | S | 92.1 | Very high | 81.7 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -32.3 | 176.6 | -71.5 | 0 | 0 | 0 | 0 | 113.9 | D319 Q320 K338 R364 | D319-S323 PolarHBondContact O-N 2.82Å; D319-S323 VanDerWaalsContact O-N 3.13Å; Q320-S323 CarbonylContact O-C 3.57Å; Q320-S323 WeakPolarHBondContact O-CA 3.38Å; Q320-S323 PolarHBondContact O-N 3.5Å; S323-K338 PolarHBondContact O-NZ 3.34Å; S323-R364 PolarHBondContact OG-NH1 3.24Å; S323-R364 PolarHBondContact OG-NH2 2.96Å |
| 324 | D | 90.8 | Very high | 83.6 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 177.9 | -72.7 | -13.8 | 0 | 0 | 0 | 111.4 | T303 Q320 M321 F326 S327 H330 | T303-D324 HydrophobicContact CG2-CB 3.75Å; Q320-D324 PolarHBondContact NE2-OD1 3.29Å; Q320-D324 WeakPolarHBondContact O-CB 2.97Å; Q320-D324 VanDerWaalsContact O-CG 3.24Å; Q320-D324 PolarHBondContact O-N 3.14Å; M321-D324 PolarHBondContact O-N 3.33Å; D324-F326 PolarHBondContact O-N 2.98Å; D324-S327 WeakPolarHBondContact O-CB 3.39Å; D324-S327 PolarHBondContact O-N 3.27Å; D324-S327 PolarHBondContact O-OG 2.89Å; D324-H330 WeakPolarHBondContact O-CB 3.19Å; D324-H330 PolarHBondContact O-ND1 3.44Å |
| 325 | A | 92.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S301 T303 M321 Q331 L395 A397 | S301-A325 WeakPolarHBondContact CB-O 3.37Å; S301-A325 PolarHBondContact OG-O 3.16Å; T303-A325 WeakPolarHBondContact OG1-CA 3.36Å; T303-A325 PolarHBondContact OG1-N 3.19Å; M321-A325 PolarHBondContact O-N 3.44Å; M321-A325 VanDerWaalsContact O-N 3.1Å; A325-Q331 PolarHBondContact O-NE2 3.4Å; A325-L395 HydrophobicContact CB-CD2 3.64Å; A325-L395 HydrophobicContact CB-CG 4.23Å; A325-A397 HydrophobicContact CB-CB 4.23Å |
| 326 | F | 93.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 3.5 | 174.8 | -62.3 | -75 | 0 | 0 | 0 | 113.1 | F322 D324 K338 Y342 L347 L365 L369 W379 | F322-F326 WeakPolarHBondContact O-CD2 3.12Å; D324-F326 PolarHBondContact O-N 2.98Å; F326-K338 HydrophobicContact CB-CG 4.16Å; F326-K338 WeakPolarHBondContact O-CD 3.48Å; F326-K338 VanDerWaalsContact O-CE 3.27Å; F326-K338 WeakPolarHBondContact O-CE 2.88Å; F326-K338 VanDerWaalsContact O-CG 3.31Å; F326-K338 WeakPolarHBondContact O-CG 3.47Å; F326-Y342 HydrophobicContact CD1-CE1 4.21Å; F326-Y342 WeakPolarHBondContact CD1-OH 3.38Å; F326-Y342 AromaticContact CE1-CE1 3.98Å; F326-Y342 HydrophobicContact CE1-CE1 3.98Å; F326-L347 HydrophobicContact CE2-CD2 4.22Å; F326-L347 HydrophobicContact CZ-CD2 3.81Å; F326-L365 HydrophobicContact CD2-CD1 3.93Å; F326-L365 HydrophobicContact CD2-CD2 4.25Å; F326-L365 HydrophobicContact CE2-CD1 3.48Å; F326-L365 VanDerWaalsContact CE2-CD1 3.48Å; F326-L365 HydrophobicContact CZ-CD1 4.48Å; F326-L369 HydrophobicContact CB-CD2 4.33Å; F326-L369 HydrophobicContact CD1-CD1 3.91Å; F326-L369 HydrophobicContact CD1-CD2 4.4Å; F326-L369 HydrophobicContact CD2-CD1 4Å; F326-L369 HydrophobicContact CE1-CD1 3.83Å; F326-L369 HydrophobicContact CE2-CD1 3.99Å; F326-L369 HydrophobicContact CG-CD1 3.95Å; F326-L369 HydrophobicContact CG-CD2 4.32Å; F326-L369 HydrophobicContact CZ-CD1 3.85Å; F326-W379 HydrophobicContact CE1-CH2 4.5Å; F326-W379 HydrophobicContact CE2-CH2 4.41Å; F326-W379 AromaticContact CZ-CH2 3.81Å; F326-W379 HydrophobicContact CZ-CH2 3.81Å; F326-W379 AromaticContact CZ-CZ3 3.8Å; F326-W379 HydrophobicContact CZ-CZ3 3.8Å |
| 327 | S | 91.3 | Very high | 89.3 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -81.1 | 146.8 | 174.7 | 71.7 | 0 | 0 | 0 | 0 | 110.8 | D324 E329 H330 Q331 | D324-S327 WeakPolarHBondContact O-CB 3.39Å; D324-S327 PolarHBondContact O-N 3.27Å; D324-S327 PolarHBondContact O-OG 2.89Å; S327-E329 PolarHBondContact O-N 3.4Å; S327-E329 VanDerWaalsContact O-N 3.16Å; S327-H330 PolarHBondContact O-N 3.49Å; S327-H330 VanDerWaalsContact O-N 3.15Å; S327-H330 PolarHBondContact OG-ND1 3.24Å; S327-Q331 WeakPolarHBondContact O-CG 3.33Å; S327-Q331 PolarHBondContact O-NE2 3.36Å |
| 328 | K | 91.3 | Very high | 90.2 | Very high | 123 Ų | 123 | 35.8 Ų | 35.8 | 54% | 0.535 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -52.4 | -35.3 | 175.8 | -177.8 | 178.6 | 177.6 | -176.6 | 0 | 112.9 | H330 Q331 | K328-H330 PolarHBondContact O-N 2.77Å; K328-Q331 PolarHBondContact O-N 2.93Å |
| 329 | E | 88.4 | Confident | 90.4 | Very high | 119 Ų | 119 | 40.4 Ų | 40.4 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -71.8 | -12.9 | -175.3 | -59.6 | 177.4 | 179.8 | 0 | 0 | 114.4 | K220 S327 | K220-E329 IonicContact NZ-OE2 3.2Å; K220-E329 PolarHBondContact NZ-OE2 2.97Å; S327-E329 PolarHBondContact O-N 3.4Å; S327-E329 VanDerWaalsContact O-N 3.16Å |
| 330 | H | 91.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -111.5 | 0.7 | 179.3 | -66 | 76.5 | 0 | 0 | 0 | 112.4 | S301 L302 D324 S327 K328 | S301-H330 VanDerWaalsContact CA-O 3.3Å; S301-H330 WeakPolarHBondContact CA-O 3.26Å; S301-H330 WeakPolarHBondContact CB-O 3.38Å; S301-H330 VanDerWaalsContact OG-C 3.28Å; S301-H330 WeakPolarHBondContact OG-CB 3.26Å; S301-H330 PolarHBondContact OG-O 2.68Å; L302-H330 PolarHBondContact N-O 3.25Å; D324-H330 WeakPolarHBondContact O-CB 3.19Å; D324-H330 PolarHBondContact O-ND1 3.44Å; S327-H330 PolarHBondContact O-N 3.49Å; S327-H330 VanDerWaalsContact O-N 3.15Å; S327-H330 PolarHBondContact OG-ND1 3.24Å; K328-H330 PolarHBondContact O-N 2.77Å |
| 331 | Q | 95.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 141.4 | 177.1 | -55.5 | -50.9 | -60.3 | 0 | 0 | 110.1 | S301 A325 S327 K328 I333 P337 | S301-Q331 PolarHBondContact OG-NE2 3.4Å; A325-Q331 PolarHBondContact O-NE2 3.4Å; S327-Q331 WeakPolarHBondContact O-CG 3.33Å; S327-Q331 PolarHBondContact O-NE2 3.36Å; K328-Q331 PolarHBondContact O-N 2.93Å; Q331-I333 VanDerWaalsContact CB-O 3.23Å; Q331-I333 WeakPolarHBondContact CB-O 3.28Å; Q331-I333 PolarHBondContact O-N 3.24Å; Q331-P337 HydrophobicContact CG-CG 4.22Å |
| 332 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -84.2 | 1.7 | 175.9 | -57.9 | -171 | 0 | 0 | 0 | 113.2 | V209 E210 L214 I217 I260 L264 P300 L302 | V209-L332 CarbonylContact C-O 3.54Å; V209-L332 WeakPolarHBondContact CA-O 3.36Å; V209-L332 HydrophobicContact CG1-CB 4.36Å; V209-L332 HydrophobicContact CG2-CB 4.36Å; V209-L332 HydrophobicContact CG2-CD1 4.38Å; E210-L332 PolarHBondContact N-O 3.31Å; L214-L332 HydrophobicContact CD2-CD2 4.08Å; I217-L332 HydrophobicContact CD1-CD2 3.82Å; I260-L332 HydrophobicContact CG2-CD2 3.61Å; L264-L332 HydrophobicContact CB-CD1 4.12Å; L264-L332 HydrophobicContact CD1-CD1 4.46Å; L264-L332 HydrophobicContact CD2-CD1 3.94Å; L264-L332 HydrophobicContact CG-CD1 4.4Å; P300-L332 HydrophobicContact CB-CD1 4.02Å; P300-L332 HydrophobicContact CB-CG 4.41Å; P300-L332 HydrophobicContact CG-CB 4.08Å; P300-L332 HydrophobicContact CG-CD1 4.11Å; P300-L332 HydrophobicContact CG-CG 4.44Å; P300-L332 PolarHBondContact O-N 2.87Å; L302-L332 HydrophobicContact CD1-CD1 4.07Å; L302-L332 HydrophobicContact CD1-CD2 4.43Å; L302-L332 HydrophobicContact CG-CD1 4.31Å |
| 333 | I | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -132 | 152 | 171.8 | -165 | -179.9 | 0 | 0 | 0 | 108.2 | P208 E210 S213 V299 Q331 A335 T407 | P208-I333 HydrophobicContact CB-CD1 4.02Å; P208-I333 HydrophobicContact CG-CD1 4.13Å; E210-I333 HydrophobicContact CB-CG1 4.17Å; S213-I333 WeakPolarHBondContact OG-CA 3.35Å; V299-I333 HydrophobicContact CB-CG2 4.34Å; V299-I333 HydrophobicContact CG1-CG2 3.47Å; V299-I333 VanDerWaalsContact CG1-CG2 3.47Å; V299-I333 HydrophobicContact CG2-CG2 4.07Å; Q331-I333 VanDerWaalsContact CB-O 3.23Å; Q331-I333 WeakPolarHBondContact CB-O 3.28Å; Q331-I333 PolarHBondContact O-N 3.24Å; I333-A335 HydrophobicContact CG2-CB 3.81Å; I333-A335 PolarHBondContact O-N 2.93Å; I333-T407 HydrophobicContact CD1-CG2 3.98Å; I333-T407 HydrophobicContact CG1-CG2 4.24Å |
| 334 | R | 89.1 | Confident | 91.5 | Very high | 85 Ų | 85 | 32.8 Ų | 32.8 | 32% | 0.321 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -76.2 | 67.9 | -179 | -168.2 | 170.7 | 63 | -172.3 | 0.1 | 111.7 | E210 S213 E410 | E210-R334 WeakPolarHBondContact OE2-CB 3.37Å; E210-R334 PolarHBondContact OE2-N 2.95Å; S213-R334 PolarHBondContact OG-N 3.36Å; R334-E410 IonicContact CZ-OE2 3.73Å; R334-E410 IonicContact NH2-OE1 2.7Å; R334-E410 PolarHBondContact NH2-OE1 3.08Å; R334-E410 IonicContact NH2-OE2 2.65Å; R334-E410 PolarHBondContact NH2-OE2 3.26Å |
| 335 | A | 86.5 | Confident | 91.8 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 5% | 0.05 | 14% | 0.144 | C | C | . | . | trans | -130.5 | 155.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | I333 C403 | I333-A335 HydrophobicContact CG2-CB 3.81Å; I333-A335 PolarHBondContact O-N 2.93Å; A335-C403 HydrophobicContact CB-CB 3.91Å; A335-C403 WeakPolarHBondContact CB-O 3.09Å | ||
| 336 | D | 89.4 | Confident | 91.9 | Very high | 55 Ų | 55 | 30.8 Ų | 30.8 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | trans | -116.2 | 98 | 172.9 | -177.3 | 0.3 | 0 | 0 | 0 | 109.5 | K338 H339 | D336-K338 VanDerWaalsContact C-N 3.3Å; D336-K338 PolarHBondContact O-N 3.26Å; D336-K338 PolarHBondContact OD1-N 2.93Å; D336-H339 IonicContact OD1-ND1 3.66Å; D336-H339 IonicContact OD2-CE1 3.77Å; D336-H339 PolarHBondContact OD2-CE1 2.68Å; D336-H339 IonicContact OD2-CG 2.8Å; D336-H339 IonicContact OD2-ND1 2.65Å; D336-H339 PolarHBondContact OD2-ND1 2.93Å | ||
| 337 | P | 89.8 | Confident | 92.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -76.5 | -17.4 | -172.5 | 35.4 | -39.7 | 0 | 0 | 0 | 112.3 | Q331 H339 S340 Y342 N401 | Q331-P337 HydrophobicContact CG-CG 4.22Å; P337-H339 VanDerWaalsContact C-N 3.32Å; P337-H339 PolarHBondContact O-N 3.32Å; P337-S340 PolarHBondContact O-N 2.84Å; P337-Y342 HydrophobicContact CB-CE1 4.45Å; P337-Y342 VanDerWaalsContact CB-OH 3.29Å; P337-Y342 WeakPolarHBondContact CB-OH 3.44Å; P337-Y342 WeakPolarHBondContact O-CE2 3.41Å; P337-Y342 PolarHBondContact O-OH 3.42Å; P337-N401 PolarHBondContact O-ND2 3.45Å; P337-N401 VanDerWaalsContact O-ND2 3.16Å |
| 338 | K | 87.6 | Confident | 92.3 | Very high | 75 Ų | 75 | 29.8 Ų | 29.8 | 33% | 0.326 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -63.6 | -36.9 | 179.4 | -83.3 | 172.3 | -179.3 | 178.4 | 0 | 112.8 | S323 F326 D336 L369 | S323-K338 PolarHBondContact O-NZ 3.34Å; F326-K338 HydrophobicContact CB-CG 4.16Å; F326-K338 WeakPolarHBondContact O-CD 3.48Å; F326-K338 VanDerWaalsContact O-CE 3.27Å; F326-K338 WeakPolarHBondContact O-CE 2.88Å; F326-K338 VanDerWaalsContact O-CG 3.31Å; F326-K338 WeakPolarHBondContact O-CG 3.47Å; D336-K338 VanDerWaalsContact C-N 3.3Å; D336-K338 PolarHBondContact O-N 3.26Å; D336-K338 PolarHBondContact OD1-N 2.93Å; K338-L369 HydrophobicContact CG-CD2 3.94Å |
| 339 | H | 83.4 | Confident | 92.5 | Very high | 127 Ų | 127 | 24 Ų | 24 | 59% | 0.588 | 11% | 0.112 | S | C | * | . | G | 310 helix | trans | -95.1 | 7.8 | -176.2 | -60.4 | 102.6 | 0 | 0 | 0 | 113.1 | D336 P337 K460 | D336-H339 IonicContact OD1-ND1 3.66Å; D336-H339 IonicContact OD2-CE1 3.77Å; D336-H339 PolarHBondContact OD2-CE1 2.68Å; D336-H339 IonicContact OD2-CG 2.8Å; D336-H339 IonicContact OD2-ND1 2.65Å; D336-H339 PolarHBondContact OD2-ND1 2.93Å; P337-H339 VanDerWaalsContact C-N 3.32Å; P337-H339 PolarHBondContact O-N 3.32Å; H339-K460 PolarHBondContact O-NZ 2.84Å |
| 340 | S | 91.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 18.3 Ų | 18.3 | 14% | 0.14 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -122.8 | 164.8 | -178.3 | -72.3 | 0 | 0 | 0 | 0 | 110.9 | P337 P370 N401 T402 | P337-S340 PolarHBondContact O-N 2.84Å; S340-P370 WeakPolarHBondContact O-CG 3.4Å; S340-N401 WeakPolarHBondContact CB-OD1 3.02Å; S340-T402 WeakPolarHBondContact CB-OG1 3.33Å |
| 341 | L | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -85.1 | 128.3 | -170.7 | -166.6 | 69.7 | 0 | 0 | 0 | 110.6 | P370 V372 N401 T402 L456 K460 L463 | L341-P370 HydrophobicContact CD1-CB 4.24Å; L341-V372 HydrophobicContact CD2-CG1 3.55Å; L341-V372 HydrophobicContact CG-CG1 3.79Å; L341-N401 WeakPolarHBondContact O-CA 3.36Å; L341-T402 HydrophobicContact CB-CG2 3.99Å; L341-T402 PolarHBondContact N-OG1 3.22Å; L341-T402 PolarHBondContact O-N 3.41Å; L341-L456 VanDerWaalsContact CD2-O 3.3Å; L341-L456 WeakPolarHBondContact CD2-O 3.34Å; L341-K460 HydrophobicContact CD1-CB 4.34Å; L341-K460 HydrophobicContact CD1-CG 4.28Å; L341-L463 HydrophobicContact CD1-CD1 3.63Å | ||
| 342 | Y | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.3 | 174.6 | -69.5 | -99.6 | 0 | 0 | 0 | 110.5 | F326 P337 C345 L369 P370 F371 V372 A399 N401 | F326-Y342 HydrophobicContact CD1-CE1 4.21Å; F326-Y342 WeakPolarHBondContact CD1-OH 3.38Å; F326-Y342 AromaticContact CE1-CE1 3.98Å; F326-Y342 HydrophobicContact CE1-CE1 3.98Å; P337-Y342 HydrophobicContact CB-CE1 4.45Å; P337-Y342 VanDerWaalsContact CB-OH 3.29Å; P337-Y342 WeakPolarHBondContact CB-OH 3.44Å; P337-Y342 WeakPolarHBondContact O-CE2 3.41Å; P337-Y342 PolarHBondContact O-OH 3.42Å; Y342-C345 HydrophobicContact CD1-CB 4.16Å; Y342-L369 HydrophobicContact CD2-CB 4.18Å; Y342-L369 HydrophobicContact CE2-CB 3.87Å; Y342-L369 HydrophobicContact CE2-CD2 3.84Å; Y342-L369 HydrophobicContact CE2-CG 4.29Å; Y342-P370 PolarHBondContact N-O 3.46Å; Y342-F371 HydrophobicContact CD1-CZ 4.36Å; Y342-F371 HydrophobicContact CD2-CE2 4.4Å; Y342-F371 HydrophobicContact CG-CD2 4.4Å; Y342-F371 HydrophobicContact CG-CE2 4.05Å; Y342-F371 HydrophobicContact CG-CZ 4.15Å; Y342-F371 CarbonylContact O-C 3.51Å; Y342-F371 WeakPolarHBondContact O-CA 3.3Å; Y342-V372 PolarHBondContact O-N 2.79Å; Y342-A399 HydrophobicContact CD1-CB 4.08Å; Y342-A399 HydrophobicContact CE1-CB 3.7Å; Y342-N401 HydrophobicContact CD1-CB 4.31Å; Y342-N401 WeakPolarHBondContact CD1-ND2 3.36Å; Y342-N401 WeakPolarHBondContact CD2-ND2 3.43Å; Y342-N401 HydrophobicContact CE1-CB 4.5Å; Y342-N401 WeakPolarHBondContact CE1-ND2 3.44Å; Y342-N401 WeakPolarHBondContact CE2-ND2 3.42Å; Y342-N401 VanDerWaalsContact CG-ND2 3.31Å |
| 343 | L | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -44.2 | 167.8 | -77.4 | 65.4 | 0 | 0 | 0 | 109.5 | P291 F292 L295 V372 N375 N400 T402 L456 | P291-L343 HydrophobicContact CG-CB 4.1Å; P291-L343 HydrophobicContact CG-CD2 3.87Å; P291-L343 HydrophobicContact CG-CG 4.4Å; F292-L343 HydrophobicContact CD2-CD2 4.26Å; L295-L343 HydrophobicContact CB-CD2 4.4Å; L295-L343 HydrophobicContact CD1-CD2 4.15Å; L343-V372 HydrophobicContact CD1-CG1 4.28Å; L343-V372 HydrophobicContact CG-CG1 4.26Å; L343-N375 PolarHBondContact O-ND2 2.93Å; L343-N400 HydrophobicContact CB-CB 4.1Å; L343-N400 PolarHBondContact N-O 3.38Å; L343-T402 HydrophobicContact CD1-CG2 4.15Å; L343-L456 HydrophobicContact CD1-CD1 4.07Å; L343-L456 HydrophobicContact CD2-CD1 3.84Å; L343-L456 HydrophobicContact CG-CD1 4.22Å |
| 344 | A | 96.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 158.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L289 G378 N400 | L289-A344 HydrophobicContact CB-CB 4.27Å; L289-A344 HydrophobicContact CD2-CB 3.76Å; A344-G378 CarbonylContact C-O 3.46Å; A344-G378 WeakPolarHBondContact CA-O 3.48Å; A344-N400 PolarHBondContact N-O 2.87Å; A344-N400 PolarHBondContact O-N 2.93Å |
| 345 | C | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 132.4 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | Y342 F371 G378 W379 K380 L398 | Y342-C345 HydrophobicContact CD1-CB 4.16Å; C345-F371 HydrophobicContact CB-CE1 4.36Å; C345-F371 HydrophobicContact CB-CZ 3.9Å; C345-G378 PolarHBondContact N-O 2.88Å; C345-W379 HydrophobicContact CB-CE3 4.05Å; C345-W379 HydrophobicContact CB-CZ3 4Å; C345-W379 CarbonylContact O-C 3.58Å; C345-W379 WeakPolarHBondContact O-CA 3.39Å; C345-K380 PolarHBondContact O-N 3.34Å; C345-L398 CarbonylContact C-O 3.49Å; C345-L398 WeakPolarHBondContact CA-O 3.32Å |
| 346 | A | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M280 L289 K380 A397 L398 | M280-A346 HydrophobicContact CE-CB 3.84Å; L289-A346 HydrophobicContact CD1-CB 3.48Å; L289-A346 VanDerWaalsContact CD1-CB 3.48Å; L289-A346 HydrophobicContact CD2-CB 3.97Å; L289-A346 HydrophobicContact CG-CB 4.27Å; A346-K380 CarbonylContact C-O 3.5Å; A346-K380 WeakPolarHBondContact CA-O 3.46Å; A346-K380 HydrophobicContact CB-CB 4.1Å; A346-A397 CarbonylContact O-C 3.56Å; A346-A397 WeakPolarHBondContact O-CA 3.39Å; A346-L398 HydrophobicContact CB-CB 4.34Å; A346-L398 PolarHBondContact N-O 3.43Å; A346-L398 PolarHBondContact O-N 3.11Å |
| 347 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.6 | 172.9 | -60.4 | -178.7 | 0 | 0 | 0 | 109.9 | F322 F326 L358 I362 W379 K380 T381 G382 L395 A397 | F322-L347 HydrophobicContact CD1-CD1 3.96Å; F322-L347 HydrophobicContact CE1-CD1 3.75Å; F326-L347 HydrophobicContact CE2-CD2 4.22Å; F326-L347 HydrophobicContact CZ-CD2 3.81Å; L347-L358 HydrophobicContact CD1-CD1 4.45Å; L347-I362 HydrophobicContact CD1-CD1 4.31Å; L347-I362 HydrophobicContact CD1-CG1 3.88Å; L347-W379 HydrophobicContact CD1-CE3 4.01Å; L347-W379 HydrophobicContact CD1-CZ3 3.73Å; L347-W379 HydrophobicContact CD2-CZ3 4.37Å; L347-W379 HydrophobicContact CG-CE3 4.21Å; L347-W379 HydrophobicContact CG-CZ3 4.01Å; L347-K380 PolarHBondContact N-O 2.69Å; L347-T381 HydrophobicContact CB-CG2 4.48Å; L347-T381 CarbonylContact O-C 3.59Å; L347-T381 VanDerWaalsContact O-CA 3.3Å; L347-T381 WeakPolarHBondContact O-CA 3.35Å; L347-G382 PolarHBondContact O-N 2.9Å; L347-L395 HydrophobicContact CB-CD1 3.91Å; L347-L395 HydrophobicContact CD2-CD1 4.03Å; L347-A397 HydrophobicContact CD2-CB 3.76Å |
| 348 | M | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 98.6 | 178.2 | -56.2 | -175.5 | 79.5 | 0 | 0 | 108.7 | I268 M280 L395 L396 L398 | I268-M348 HydrophobicContact CB-SD 4.38Å; I268-M348 HydrophobicContact CG1-SD 4.1Å; I268-M348 WeakPolarHBondContact O-CE 3.21Å; M280-M348 HydrophobicContact CE-CE 4.17Å; M280-M348 HydrophobicContact CE-CG 3.48Å; M280-M348 VanDerWaalsContact CE-CG 3.48Å; M280-M348 HydrophobicContact CE-SD 4.02Å; M280-M348 HydrophobicContact SD-CE 3.97Å; M280-M348 HydrophobicContact SD-CG 4.34Å; M280-M348 HydrophobicContact SD-SD 4.1Å; M348-L395 WeakPolarHBondContact O-CA 2.9Å; M348-L396 HydrophobicContact CB-CB 4.21Å; M348-L396 PolarHBondContact N-O 3.18Å; M348-L396 PolarHBondContact O-N 3.31Å; M348-L396 HydrophobicContact SD-CD2 4.03Å; M348-L398 HydrophobicContact SD-CD1 4.43Å |
| 349 | V | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 140.5 | -178 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | F322 V353 L358 G382 L383 C384 S394 L395 | F322-V349 HydrophobicContact CE1-CG2 4.34Å; F322-V349 HydrophobicContact CE2-CG2 4.49Å; F322-V349 HydrophobicContact CZ-CG2 3.7Å; V349-V353 HydrophobicContact CG1-CB 3.87Å; V349-V353 HydrophobicContact CG1-CG1 4.09Å; V349-V353 HydrophobicContact CG1-CG2 3.66Å; V349-L358 HydrophobicContact CG2-CD1 4.02Å; V349-G382 PolarHBondContact N-O 3.42Å; V349-L383 HydrophobicContact CB-CD1 4.01Å; V349-L383 HydrophobicContact CG1-CD1 3.98Å; V349-L383 WeakPolarHBondContact O-CA 3.48Å; V349-C384 PolarHBondContact O-N 2.7Å; V349-S394 CarbonylContact C-O 3.59Å; V349-S394 WeakPolarHBondContact CA-O 3.11Å; V349-L395 HydrophobicContact CG2-CD1 3.74Å |
| 350 | R | 92.4 | Very high | 93 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.6 | 176.3 | -51.4 | -174.5 | 59.9 | -165.9 | -9.3 | 111.8 | E27 N267 S270 C384 V386 H393 S394 | E27-R350 IonicContact OE1-CZ 3.09Å; E27-R350 IonicContact OE1-NH1 2.92Å; E27-R350 PolarHBondContact OE1-NH1 3.13Å; E27-R350 IonicContact OE1-NH2 3.67Å; E27-R350 PolarHBondContact OE1-NH2 3.45Å; E27-R350 IonicContact OE2-NH1 2.93Å; E27-R350 IonicContact OE2-NH2 3.58Å; N267-R350 WeakPolarHBondContact OD1-CD 3.42Å; S270-R350 VanDerWaalsContact CB-NE 3.32Å; R350-C384 CarbonylContact C-O 3.55Å; R350-C384 WeakPolarHBondContact CA-O 3.17Å; R350-C384 HydrophobicContact CB-CB 4.49Å; R350-C384 HydrophobicContact CG-CB 4.14Å; R350-V386 PolarHBondContact NE-O 3.21Å; R350-V386 PolarHBondContact NH2-O 3.15Å; R350-V386 VanDerWaalsContact NH2-O 3.08Å; R350-H393 WeakPolarHBondContact O-CA 3.15Å; R350-S394 WeakPolarHBondContact CB-OG 3.36Å; R350-S394 PolarHBondContact N-O 3.35Å; R350-S394 PolarHBondContact O-N 3.29Å; R350-S394 VanDerWaalsContact O-N 3.1Å |
| 351 | G | 89.2 | Confident | 93.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.7 | -166.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V353 C384 | G351-V353 VanDerWaalsContact C-N 3.27Å; G351-V353 PolarHBondContact O-N 3.37Å; G351-C384 PolarHBondContact N-O 2.95Å |
| 352 | N | 85.6 | Confident | 93.2 | Very high | 131 Ų | 131 | 34.1 Ų | 34.1 | 70% | 0.701 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -76.6 | 71.8 | -173.7 | -173.9 | 20.3 | 0 | 0 | 0 | 112.6 | H393 | N352-H393 PolarHBondContact N-ND1 2.84Å; N352-H393 PolarHBondContact O-CE1 3.48Å |
| 353 | V | 88.2 | Confident | 93.1 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | trans | -117.8 | 137.5 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | L318 V349 G351 D357 L383 H393 | L318-V353 HydrophobicContact CD1-CB 4.19Å; L318-V353 HydrophobicContact CD1-CG1 3.7Å; L318-V353 HydrophobicContact CD1-CG2 3.55Å; V349-V353 HydrophobicContact CG1-CB 3.87Å; V349-V353 HydrophobicContact CG1-CG1 4.09Å; V349-V353 HydrophobicContact CG1-CG2 3.66Å; G351-V353 VanDerWaalsContact C-N 3.27Å; G351-V353 PolarHBondContact O-N 3.37Å; V353-D357 HydrophobicContact CG1-CB 4.15Å; V353-L383 HydrophobicContact CB-CD1 3.9Å; V353-L383 VanDerWaalsContact O-CD2 3.28Å; V353-L383 WeakPolarHBondContact O-CD2 3.27Å; V353-H393 WeakPolarHBondContact CG2-ND1 3.41Å | ||
| 354 | Q | 90.6 | Very high | 93 | Very high | 106 Ų | 106 | 44.2 Ų | 44.2 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | trans | -87.7 | 150.3 | 176.8 | -61 | -61.7 | -31.5 | 0 | 0 | 111.4 | S356 D357 L358 | Q354-S356 PolarHBondContact O-N 3.44Å; Q354-D357 WeakPolarHBondContact O-CB 3.23Å; Q354-D357 PolarHBondContact O-N 2.78Å; Q354-L358 PolarHBondContact O-N 2.7Å | ||
| 355 | V | 92.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 21% | 0.212 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -32.6 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L278 L358 R359 L383 | L278-V355 HydrophobicContact CD1-CG1 4.11Å; L278-V355 HydrophobicContact CD1-CG2 4.03Å; L278-V355 HydrophobicContact CG-CG2 4.16Å; V355-L358 PolarHBondContact O-N 3.13Å; V355-R359 HydrophobicContact CG1-CG 4.46Å; V355-R359 WeakPolarHBondContact O-CG 3.47Å; V355-R359 PolarHBondContact O-N 3.32Å; V355-L383 HydrophobicContact CG2-CD2 3.74Å |
| 356 | S | 93 | Very high | 92.5 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 57% | 0.566 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.1 | -38 | 175.1 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | Q354 R360 | Q354-S356 PolarHBondContact O-N 3.44Å; S356-R360 WeakPolarHBondContact O-CB 3.03Å; S356-R360 PolarHBondContact O-N 2.71Å |
| 357 | D | 91 | Very high | 92.2 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 178.3 | -67.7 | -49.7 | 0 | 0 | 0 | 111.4 | L318 V353 Q354 R360 N361 | L318-D357 HydrophobicContact CD2-CB 4.1Å; V353-D357 HydrophobicContact CG1-CB 4.15Å; Q354-D357 WeakPolarHBondContact O-CB 3.23Å; Q354-D357 PolarHBondContact O-N 2.78Å; D357-R360 PolarHBondContact O-N 3.19Å; D357-R360 IonicContact OD1-CZ 3.3Å; D357-R360 IonicContact OD1-NH1 2.92Å; D357-R360 PolarHBondContact OD1-NH1 2.92Å; D357-R360 IonicContact OD1-NH2 3.79Å; D357-R360 PolarHBondContact OD1-NH2 2.84Å; D357-N361 WeakPolarHBondContact O-CB 3.38Å; D357-N361 PolarHBondContact O-N 3.29Å; D357-N361 PolarHBondContact O-ND2 2.67Å |
| 358 | L | 91.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 173.7 | 170.4 | 60.2 | 0 | 0 | 0 | 111.1 | L278 F322 L347 V349 Q354 V355 R360 N361 I362 T381 | L278-L358 HydrophobicContact CD1-CD2 4.06Å; F322-L358 HydrophobicContact CE1-CD1 3.59Å; F322-L358 HydrophobicContact CZ-CD1 3.69Å; L347-L358 HydrophobicContact CD1-CD1 4.45Å; V349-L358 HydrophobicContact CG2-CD1 4.02Å; Q354-L358 PolarHBondContact O-N 2.7Å; V355-L358 PolarHBondContact O-N 3.13Å; L358-R360 PolarHBondContact O-N 3.2Å; L358-N361 PolarHBondContact O-N 2.83Å; L358-N361 VanDerWaalsContact O-N 3.17Å; L358-I362 HydrophobicContact CD1-CD1 3.84Å; L358-I362 HydrophobicContact CD1-CG1 4.34Å; L358-I362 HydrophobicContact CG-CD1 4.12Å; L358-I362 WeakPolarHBondContact O-CG1 3.49Å; L358-I362 PolarHBondContact O-N 2.82Å; L358-T381 HydrophobicContact CD1-CG2 3.94Å; L358-T381 HydrophobicContact CD2-CG2 3.85Å; L358-T381 HydrophobicContact CG-CG2 4.1Å |
| 359 | R | 93.2 | Very high | 91.6 | Very high | 177 Ų | 177 | 56.4 Ų | 56.4 | 67% | 0.668 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 178 | -72.8 | 178.9 | -178.9 | 177.8 | 0.9 | 112.2 | V355 N361 I362 E363 | V355-R359 HydrophobicContact CG1-CG 4.46Å; V355-R359 WeakPolarHBondContact O-CG 3.47Å; V355-R359 PolarHBondContact O-N 3.32Å; R359-N361 VanDerWaalsContact C-N 3.27Å; R359-N361 PolarHBondContact O-N 2.89Å; R359-I362 PolarHBondContact O-N 2.91Å; R359-E363 PolarHBondContact O-N 3.2Å |
| 360 | R | 94.6 | Very high | 91.4 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 45% | 0.445 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 175.8 | -176.1 | -175.3 | 73.2 | -129.4 | -4.4 | 111.6 | D319 S356 D357 L358 R364 | D319-R360 IonicContact OD1-CZ 3.83Å; D319-R360 IonicContact OD1-NE 3.36Å; D319-R360 IonicContact OD1-NH2 2.74Å; D319-R360 PolarHBondContact OD1-NH2 3.22Å; D319-R360 IonicContact OD2-NH2 3.6Å; S356-R360 WeakPolarHBondContact O-CB 3.03Å; S356-R360 PolarHBondContact O-N 2.71Å; D357-R360 PolarHBondContact O-N 3.19Å; D357-R360 IonicContact OD1-CZ 3.3Å; D357-R360 IonicContact OD1-NH1 2.92Å; D357-R360 PolarHBondContact OD1-NH1 2.92Å; D357-R360 IonicContact OD1-NH2 3.79Å; D357-R360 PolarHBondContact OD1-NH2 2.84Å; L358-R360 PolarHBondContact O-N 3.2Å; R360-R364 WeakPolarHBondContact O-CB 3.3Å; R360-R364 PolarHBondContact O-N 2.99Å; R360-R364 VanDerWaalsContact O-N 3.1Å |
| 361 | N | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.9 | -37.1 | -179.6 | -87.4 | -72.2 | 0 | 0 | 0 | 113.5 | L318 D319 F322 D357 L358 R359 R364 L365 | L318-N361 VanDerWaalsContact CD2-ND2 3.29Å; L318-N361 WeakPolarHBondContact CD2-ND2 3.25Å; D319-N361 VanDerWaalsContact CA-OD1 3.25Å; D319-N361 WeakPolarHBondContact CA-OD1 3.42Å; D319-N361 WeakPolarHBondContact CB-OD1 3.2Å; D319-N361 PolarHBondContact OD1-ND2 2.94Å; D319-N361 PolarHBondContact OD1-OD1 3.23Å; F322-N361 HydrophobicContact CB-CB 4.14Å; F322-N361 HydrophobicContact CD1-CB 3.64Å; F322-N361 HydrophobicContact CD2-CB 4Å; F322-N361 HydrophobicContact CE1-CB 3.95Å; F322-N361 HydrophobicContact CE2-CB 4.3Å; F322-N361 HydrophobicContact CG-CB 3.66Å; F322-N361 HydrophobicContact CZ-CB 4.26Å; D357-N361 WeakPolarHBondContact O-CB 3.38Å; D357-N361 PolarHBondContact O-N 3.29Å; D357-N361 PolarHBondContact O-ND2 2.67Å; L358-N361 PolarHBondContact O-N 2.83Å; L358-N361 VanDerWaalsContact O-N 3.17Å; R359-N361 VanDerWaalsContact C-N 3.27Å; R359-N361 PolarHBondContact O-N 2.89Å; N361-R364 PolarHBondContact O-N 3.02Å; N361-R364 PolarHBondContact OD1-NE 2.6Å; N361-R364 PolarHBondContact OD1-NH2 3.03Å; N361-L365 WeakPolarHBondContact O-CB 3.46Å; N361-L365 VanDerWaalsContact O-CG 3.28Å; N361-L365 WeakPolarHBondContact O-CG 3.16Å; N361-L365 PolarHBondContact O-N 2.91Å |
| 362 | I | 94.2 | Very high | 91.6 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 173.7 | -69 | 165.9 | 0 | 0 | 0 | 110.2 | L347 L358 R359 R364 L365 R366 W379 T381 | L347-I362 HydrophobicContact CD1-CD1 4.31Å; L347-I362 HydrophobicContact CD1-CG1 3.88Å; L358-I362 HydrophobicContact CD1-CD1 3.84Å; L358-I362 HydrophobicContact CD1-CG1 4.34Å; L358-I362 HydrophobicContact CG-CD1 4.12Å; L358-I362 WeakPolarHBondContact O-CG1 3.49Å; L358-I362 PolarHBondContact O-N 2.82Å; R359-I362 PolarHBondContact O-N 2.91Å; I362-R364 VanDerWaalsContact C-N 3.26Å; I362-R364 PolarHBondContact O-N 3.39Å; I362-L365 PolarHBondContact O-N 2.87Å; I362-L365 VanDerWaalsContact O-N 3.1Å; I362-R366 PolarHBondContact O-N 3.29Å; I362-W379 HydrophobicContact CG1-CE3 4.45Å; I362-W379 HydrophobicContact CG2-CD2 3.88Å; I362-W379 HydrophobicContact CG2-CE3 4.45Å; I362-W379 HydrophobicContact CG2-CG 3.89Å; I362-T381 HydrophobicContact CD1-CG2 3.4Å |
| 363 | E | 94 | Very high | 91.8 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.3 | -41 | 176.8 | -169.7 | 62 | -128.7 | 0 | 0 | 111.9 | R359 R366 P367 | R359-E363 PolarHBondContact O-N 3.2Å; E363-R366 IonicContact OE1-NH1 3.3Å; E363-R366 PolarHBondContact OE1-NH1 3.19Å; E363-R366 IonicContact OE2-CZ 3.78Å; E363-R366 IonicContact OE2-NH1 2.88Å; E363-R366 PolarHBondContact OE2-NH1 2.99Å; E363-R366 IonicContact OE2-NH2 3.98Å; E363-P367 WeakPolarHBondContact O-CD 2.78Å |
| 364 | R | 93.4 | Very high | 91.7 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 178 | -174.9 | -179.1 | 63.4 | 84 | 3.7 | 113 | D319 S323 R360 N361 I362 | D319-R364 PolarHBondContact O-NH2 3.27Å; S323-R364 PolarHBondContact OG-NH1 3.24Å; S323-R364 PolarHBondContact OG-NH2 2.96Å; R360-R364 WeakPolarHBondContact O-CB 3.3Å; R360-R364 PolarHBondContact O-N 2.99Å; R360-R364 VanDerWaalsContact O-N 3.1Å; N361-R364 PolarHBondContact O-N 3.02Å; N361-R364 PolarHBondContact OD1-NE 2.6Å; N361-R364 PolarHBondContact OD1-NH2 3.03Å; I362-R364 VanDerWaalsContact C-N 3.26Å; I362-R364 PolarHBondContact O-N 3.39Å |
| 365 | L | 92 | Very high | 91.7 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -83.2 | -28.7 | -178.2 | -72.2 | 170.9 | 0 | 0 | 0 | 113.2 | F322 F326 N361 I362 P367 S368 L369 | F322-L365 HydrophobicContact CB-CD1 4.01Å; F322-L365 HydrophobicContact CD1-CD1 4.22Å; F326-L365 HydrophobicContact CD2-CD1 3.93Å; F326-L365 HydrophobicContact CD2-CD2 4.25Å; F326-L365 HydrophobicContact CE2-CD1 3.48Å; F326-L365 VanDerWaalsContact CE2-CD1 3.48Å; F326-L365 HydrophobicContact CZ-CD1 4.48Å; N361-L365 WeakPolarHBondContact O-CB 3.46Å; N361-L365 VanDerWaalsContact O-CG 3.28Å; N361-L365 WeakPolarHBondContact O-CG 3.16Å; N361-L365 PolarHBondContact O-N 2.91Å; I362-L365 PolarHBondContact O-N 2.87Å; I362-L365 VanDerWaalsContact O-N 3.1Å; L365-P367 VanDerWaalsContact C-CD 3.45Å; L365-S368 PolarHBondContact O-N 2.86Å; L365-S368 PolarHBondContact O-OG 3.35Å; L365-L369 HydrophobicContact CB-CD1 4.11Å; L365-L369 PolarHBondContact O-N 3.32Å |
| 366 | R | 90 | Very high | 91.4 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 25% | 0.249 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -49.1 | -45.8 | -176.4 | -170.7 | -171.3 | -72.6 | 130 | -3.9 | 113.6 | I362 E363 S368 L369 E377 | I362-R366 PolarHBondContact O-N 3.29Å; E363-R366 IonicContact OE1-NH1 3.3Å; E363-R366 PolarHBondContact OE1-NH1 3.19Å; E363-R366 IonicContact OE2-CZ 3.78Å; E363-R366 IonicContact OE2-NH1 2.88Å; E363-R366 PolarHBondContact OE2-NH1 2.99Å; E363-R366 IonicContact OE2-NH2 3.98Å; R366-S368 PolarHBondContact O-N 3.34Å; R366-L369 PolarHBondContact O-N 2.89Å; R366-E377 IonicContact CZ-OE1 2.64Å; R366-E377 VanDerWaalsContact CZ-OE1 3.27Å; R366-E377 IonicContact CZ-OE2 3.18Å; R366-E377 IonicContact NE-OE1 3.58Å; R366-E377 PolarHBondContact NE-OE1 2.99Å; R366-E377 IonicContact NE-OE2 3.76Å; R366-E377 IonicContact NH2-OE1 2.82Å; R366-E377 PolarHBondContact NH2-OE1 3.26Å; R366-E377 IonicContact NH2-OE2 3.27Å; R366-E377 PolarHBondContact NH2-OE2 3.31Å |
| 367 | P | 89.4 | Confident | 91.1 | Very high | 116 Ų | 116 | 62.8 Ų | 62.8 | 75% | 0.753 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -65.9 | -23.5 | -179 | -21.5 | 34.3 | 0 | 0 | 0 | 113.9 | E363 L365 | E363-P367 WeakPolarHBondContact O-CD 2.78Å; L365-P367 VanDerWaalsContact C-CD 3.45Å |
| 368 | S | 88.9 | Confident | 91.1 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -93.3 | -13.4 | -175.6 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | L365 R366 | L365-S368 PolarHBondContact O-N 2.86Å; L365-S368 PolarHBondContact O-OG 3.35Å; R366-S368 PolarHBondContact O-N 3.34Å |
| 369 | L | 91.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -118.9 | 107.9 | -173 | -60.8 | 179.7 | 0 | 0 | 0 | 108.2 | F326 K338 Y342 L365 R366 F371 W379 | F326-L369 HydrophobicContact CB-CD2 4.33Å; F326-L369 HydrophobicContact CD1-CD1 3.91Å; F326-L369 HydrophobicContact CD1-CD2 4.4Å; F326-L369 HydrophobicContact CD2-CD1 4Å; F326-L369 HydrophobicContact CE1-CD1 3.83Å; F326-L369 HydrophobicContact CE2-CD1 3.99Å; F326-L369 HydrophobicContact CG-CD1 3.95Å; F326-L369 HydrophobicContact CG-CD2 4.32Å; F326-L369 HydrophobicContact CZ-CD1 3.85Å; K338-L369 HydrophobicContact CG-CD2 3.94Å; Y342-L369 HydrophobicContact CD2-CB 4.18Å; Y342-L369 HydrophobicContact CE2-CB 3.87Å; Y342-L369 HydrophobicContact CE2-CD2 3.84Å; Y342-L369 HydrophobicContact CE2-CG 4.29Å; L365-L369 HydrophobicContact CB-CD1 4.11Å; L365-L369 PolarHBondContact O-N 3.32Å; R366-L369 PolarHBondContact O-N 2.89Å; L369-F371 HydrophobicContact CB-CE2 4.23Å; L369-F371 WeakPolarHBondContact O-CD2 3.46Å; L369-F371 PolarHBondContact O-N 2.68Å; L369-W379 HydrophobicContact CD1-CH2 3.6Å; L369-W379 HydrophobicContact CD1-CZ2 4.02Å |
| 370 | P | 91.4 | Very high | 91.3 | Very high | 38 Ų | 38 | 57 Ų | 57 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 117.5 | -175.5 | 29.2 | -31.8 | 0 | 0 | 0 | 110.2 | S340 L341 Y342 | S340-P370 WeakPolarHBondContact O-CG 3.4Å; L341-P370 HydrophobicContact CD1-CB 4.24Å; Y342-P370 PolarHBondContact N-O 3.46Å |
| 371 | F | 92.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 154 | 171.6 | -82.2 | -109.2 | 0 | 0 | 0 | 111.2 | Y342 C345 L369 N375 Q376 W379 L463 | Y342-F371 HydrophobicContact CD1-CZ 4.36Å; Y342-F371 HydrophobicContact CD2-CE2 4.4Å; Y342-F371 HydrophobicContact CG-CD2 4.4Å; Y342-F371 HydrophobicContact CG-CE2 4.05Å; Y342-F371 HydrophobicContact CG-CZ 4.15Å; Y342-F371 CarbonylContact O-C 3.51Å; Y342-F371 WeakPolarHBondContact O-CA 3.3Å; C345-F371 HydrophobicContact CB-CE1 4.36Å; C345-F371 HydrophobicContact CB-CZ 3.9Å; L369-F371 HydrophobicContact CB-CE2 4.23Å; L369-F371 WeakPolarHBondContact O-CD2 3.46Å; L369-F371 PolarHBondContact O-N 2.68Å; F371-N375 WeakPolarHBondContact CD1-O 3.3Å; F371-Q376 PolarHBondContact O-NE2 2.89Å; F371-W379 AromaticContact CE2-CE2 3.6Å; F371-W379 HydrophobicContact CE2-CH2 4.24Å; F371-W379 AromaticContact CE2-CZ2 3.45Å; F371-W379 HydrophobicContact CE2-CZ2 3.45Å; F371-W379 VanDerWaalsContact CE2-CZ2 3.45Å; F371-W379 AromaticContact CE2-NE1 3.7Å; F371-W379 AromaticContact CZ-CD2 3.97Å; F371-W379 HydrophobicContact CZ-CD2 3.97Å; F371-W379 AromaticContact CZ-CE2 3.49Å; F371-W379 VanDerWaalsContact CZ-CE2 3.49Å; F371-W379 HydrophobicContact CZ-CE3 4.49Å; F371-W379 HydrophobicContact CZ-CG 4.45Å; F371-W379 HydrophobicContact CZ-CH2 4.24Å; F371-W379 AromaticContact CZ-CZ2 3.67Å; F371-W379 HydrophobicContact CZ-CZ2 3.67Å; F371-W379 AromaticContact CZ-NE1 3.66Å; F371-L463 WeakPolarHBondContact O-CD1 3.34Å |
| 372 | V | 91.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 142.6 | 171.2 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | L341 Y342 L343 W374 N375 Q376 | L341-V372 HydrophobicContact CD2-CG1 3.55Å; L341-V372 HydrophobicContact CG-CG1 3.79Å; Y342-V372 PolarHBondContact O-N 2.79Å; L343-V372 HydrophobicContact CD1-CG1 4.28Å; L343-V372 HydrophobicContact CG-CG1 4.26Å; V372-W374 HydrophobicContact CB-CD2 4.41Å; V372-W374 HydrophobicContact CB-CZ2 4.07Å; V372-W374 HydrophobicContact CG1-CZ2 4.22Å; V372-W374 HydrophobicContact CG2-CD2 3.88Å; V372-W374 HydrophobicContact CG2-CE3 4.24Å; V372-W374 HydrophobicContact CG2-CG 4.46Å; V372-W374 HydrophobicContact CG2-CH2 3.9Å; V372-W374 HydrophobicContact CG2-CZ2 3.56Å; V372-W374 HydrophobicContact CG2-CZ3 4.24Å; V372-W374 PolarHBondContact O-N 2.77Å; V372-W374 VanDerWaalsContact O-N 3.08Å; V372-N375 HydrophobicContact CG2-CB 3.61Å; V372-N375 CarbonylContact O-C 3.51Å; V372-N375 PolarHBondContact O-N 2.76Å; V372-Q376 PolarHBondContact O-NE2 3.16Å |
| 373 | S | 88.8 | Confident | 91.4 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -38 | -174.3 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 374 | W | 88 | Confident | 91.4 | Very high | 132 Ų | 132 | 47.2 Ų | 47.2 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.4 | -175.7 | 52 | -95.4 | 0 | 0 | 0 | 113.8 | P291 F292 V372 | P291-W374 HydrophobicContact CB-CH2 3.58Å; P291-W374 HydrophobicContact CB-CZ3 4.09Å; P291-W374 HydrophobicContact CG-CH2 3.77Å; F292-W374 HydrophobicContact CE2-CH2 4.27Å; F292-W374 AromaticContact CE2-CZ2 3.83Å; F292-W374 HydrophobicContact CE2-CZ2 3.83Å; F292-W374 HydrophobicContact CZ-CZ2 4.18Å; V372-W374 HydrophobicContact CB-CD2 4.41Å; V372-W374 HydrophobicContact CB-CZ2 4.07Å; V372-W374 HydrophobicContact CG1-CZ2 4.22Å; V372-W374 HydrophobicContact CG2-CD2 3.88Å; V372-W374 HydrophobicContact CG2-CE3 4.24Å; V372-W374 HydrophobicContact CG2-CG 4.46Å; V372-W374 HydrophobicContact CG2-CH2 3.9Å; V372-W374 HydrophobicContact CG2-CZ2 3.56Å; V372-W374 HydrophobicContact CG2-CZ3 4.24Å; V372-W374 PolarHBondContact O-N 2.77Å; V372-W374 VanDerWaalsContact O-N 3.08Å |
| 375 | N | 89.3 | Confident | 91.2 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | trans | -139.4 | 59.7 | 178.4 | -165 | 22.8 | 0 | 0 | 0 | 112.6 | L343 F371 V372 E377 G378 | L343-N375 PolarHBondContact O-ND2 2.93Å; F371-N375 WeakPolarHBondContact CD1-O 3.3Å; V372-N375 HydrophobicContact CG2-CB 3.61Å; V372-N375 CarbonylContact O-C 3.51Å; V372-N375 PolarHBondContact O-N 2.76Å; N375-E377 PolarHBondContact O-N 3.11Å; N375-G378 VanDerWaalsContact CG-CA 3.49Å; N375-G378 VanDerWaalsContact ND2-CA 3.28Å; N375-G378 WeakPolarHBondContact ND2-CA 3.37Å; N375-G378 PolarHBondContact O-N 3.32Å; N375-G378 VanDerWaalsContact OD1-CA 3.27Å; N375-G378 WeakPolarHBondContact OD1-CA 3.36Å; N375-G378 PolarHBondContact OD1-N 2.98Å | ||
| 376 | Q | 86.8 | Confident | 91.2 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 41% | 0.407 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.8 | 179.6 | -65.1 | -63 | -49.9 | 0 | 0 | 113.6 | F371 V372 | F371-Q376 PolarHBondContact O-NE2 2.89Å; V372-Q376 PolarHBondContact O-NE2 3.16Å |
| 377 | E | 87.2 | Confident | 91.2 | Very high | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 32.1 | 176.7 | -63.4 | -60.2 | 148.7 | 0 | 0 | 111.9 | R366 N375 W379 | R366-E377 IonicContact CZ-OE1 2.64Å; R366-E377 VanDerWaalsContact CZ-OE1 3.27Å; R366-E377 IonicContact CZ-OE2 3.18Å; R366-E377 IonicContact NE-OE1 3.58Å; R366-E377 PolarHBondContact NE-OE1 2.99Å; R366-E377 IonicContact NE-OE2 3.76Å; R366-E377 IonicContact NH2-OE1 2.82Å; R366-E377 PolarHBondContact NH2-OE1 3.26Å; R366-E377 IonicContact NH2-OE2 3.27Å; R366-E377 PolarHBondContact NH2-OE2 3.31Å; N375-E377 PolarHBondContact O-N 3.11Å; E377-W379 PolarHBondContact O-N 2.95Å |
| 378 | G | 90.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | trans | -69.2 | 34.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A344 C345 N375 | A344-G378 CarbonylContact C-O 3.46Å; A344-G378 WeakPolarHBondContact CA-O 3.48Å; C345-G378 PolarHBondContact N-O 2.88Å; N375-G378 VanDerWaalsContact CG-CA 3.49Å; N375-G378 VanDerWaalsContact ND2-CA 3.28Å; N375-G378 WeakPolarHBondContact ND2-CA 3.37Å; N375-G378 PolarHBondContact O-N 3.32Å; N375-G378 VanDerWaalsContact OD1-CA 3.27Å; N375-G378 WeakPolarHBondContact OD1-CA 3.36Å; N375-G378 PolarHBondContact OD1-N 2.98Å | ||
| 379 | W | 93.6 | Very high | 90.8 | Very high | 36 Ų | 36 | 40 Ų | 40 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124 | -178.3 | -66.5 | 96.2 | 0 | 0 | 0 | 110.9 | F326 C345 L347 I362 L369 F371 E377 | F326-W379 HydrophobicContact CE1-CH2 4.5Å; F326-W379 HydrophobicContact CE2-CH2 4.41Å; F326-W379 AromaticContact CZ-CH2 3.81Å; F326-W379 HydrophobicContact CZ-CH2 3.81Å; F326-W379 AromaticContact CZ-CZ3 3.8Å; F326-W379 HydrophobicContact CZ-CZ3 3.8Å; C345-W379 HydrophobicContact CB-CE3 4.05Å; C345-W379 HydrophobicContact CB-CZ3 4Å; C345-W379 CarbonylContact O-C 3.58Å; C345-W379 WeakPolarHBondContact O-CA 3.39Å; L347-W379 HydrophobicContact CD1-CE3 4.01Å; L347-W379 HydrophobicContact CD1-CZ3 3.73Å; L347-W379 HydrophobicContact CD2-CZ3 4.37Å; L347-W379 HydrophobicContact CG-CE3 4.21Å; L347-W379 HydrophobicContact CG-CZ3 4.01Å; I362-W379 HydrophobicContact CG1-CE3 4.45Å; I362-W379 HydrophobicContact CG2-CD2 3.88Å; I362-W379 HydrophobicContact CG2-CE3 4.45Å; I362-W379 HydrophobicContact CG2-CG 3.89Å; L369-W379 HydrophobicContact CD1-CH2 3.6Å; L369-W379 HydrophobicContact CD1-CZ2 4.02Å; F371-W379 AromaticContact CE2-CE2 3.6Å; F371-W379 HydrophobicContact CE2-CH2 4.24Å; F371-W379 AromaticContact CE2-CZ2 3.45Å; F371-W379 HydrophobicContact CE2-CZ2 3.45Å; F371-W379 VanDerWaalsContact CE2-CZ2 3.45Å; F371-W379 AromaticContact CE2-NE1 3.7Å; F371-W379 AromaticContact CZ-CD2 3.97Å; F371-W379 HydrophobicContact CZ-CD2 3.97Å; F371-W379 AromaticContact CZ-CE2 3.49Å; F371-W379 VanDerWaalsContact CZ-CE2 3.49Å; F371-W379 HydrophobicContact CZ-CE3 4.49Å; F371-W379 HydrophobicContact CZ-CG 4.45Å; F371-W379 HydrophobicContact CZ-CH2 4.24Å; F371-W379 AromaticContact CZ-CZ2 3.67Å; F371-W379 HydrophobicContact CZ-CZ2 3.67Å; F371-W379 AromaticContact CZ-NE1 3.66Å; E377-W379 PolarHBondContact O-N 2.95Å |
| 380 | K | 94.9 | Very high | 90.1 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145.1 | 165.4 | -170.1 | 69.5 | 178.8 | -169.9 | 0 | 109.3 | M280 E284 L289 C345 A346 L347 | M280-K380 HydrophobicContact CE-CG 4.04Å; M280-K380 HydrophobicContact CG-CG 4.37Å; M280-K380 HydrophobicContact SD-CG 4.49Å; E284-K380 IonicContact OE1-NZ 3.55Å; E284-K380 PolarHBondContact OE1-NZ 3.29Å; E284-K380 WeakPolarHBondContact OE2-CE 3.34Å; E284-K380 IonicContact OE2-NZ 2.78Å; E284-K380 PolarHBondContact OE2-NZ 2.99Å; L289-K380 HydrophobicContact CD2-CB 4.28Å; C345-K380 PolarHBondContact O-N 3.34Å; A346-K380 CarbonylContact C-O 3.5Å; A346-K380 WeakPolarHBondContact CA-O 3.46Å; A346-K380 HydrophobicContact CB-CB 4.1Å; L347-K380 PolarHBondContact N-O 2.69Å |
| 381 | T | 94.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.5 | -179.7 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | L347 L358 I362 | L347-T381 HydrophobicContact CB-CG2 4.48Å; L347-T381 CarbonylContact O-C 3.59Å; L347-T381 VanDerWaalsContact O-CA 3.3Å; L347-T381 WeakPolarHBondContact O-CA 3.35Å; L358-T381 HydrophobicContact CD1-CG2 3.94Å; L358-T381 HydrophobicContact CD2-CG2 3.85Å; L358-T381 HydrophobicContact CG-CG2 4.1Å; I362-T381 HydrophobicContact CD1-CG2 3.4Å |
| 382 | G | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L278 L347 V349 | L278-G382 CarbonylContact O-C 3.44Å; L278-G382 WeakPolarHBondContact O-CA 3.22Å; L347-G382 PolarHBondContact O-N 2.9Å; V349-G382 PolarHBondContact N-O 3.42Å |
| 383 | L | 95.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 103 | 178.6 | 175 | 58.5 | 0 | 0 | 0 | 109.2 | G276 S277 L278 V349 V353 V355 | G276-L383 CarbonylContact C-O 3.53Å; G276-L383 WeakPolarHBondContact CA-O 3.39Å; S277-L383 PolarHBondContact N-O 2.68Å; S277-L383 VanDerWaalsContact N-O 3.09Å; L278-L383 HydrophobicContact CB-CB 4.01Å; L278-L383 HydrophobicContact CD1-CB 4.42Å; L278-L383 HydrophobicContact CG-CB 4.44Å; L278-L383 PolarHBondContact N-O 3.21Å; L278-L383 PolarHBondContact O-N 3.37Å; V349-L383 HydrophobicContact CB-CD1 4.01Å; V349-L383 HydrophobicContact CG1-CD1 3.98Å; V349-L383 WeakPolarHBondContact O-CA 3.48Å; V353-L383 HydrophobicContact CB-CD1 3.9Å; V353-L383 VanDerWaalsContact O-CD2 3.28Å; V353-L383 WeakPolarHBondContact O-CD2 3.27Å; V355-L383 HydrophobicContact CG2-CD2 3.74Å |
| 384 | C | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.3 | 175.7 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | F274 V349 R350 G351 V386 | F274-C384 VanDerWaalsContact CB-SG 3.54Å; V349-C384 PolarHBondContact O-N 2.7Å; R350-C384 CarbonylContact C-O 3.55Å; R350-C384 WeakPolarHBondContact CA-O 3.17Å; R350-C384 HydrophobicContact CB-CB 4.49Å; R350-C384 HydrophobicContact CG-CB 4.14Å; G351-C384 PolarHBondContact N-O 2.95Å; C384-V386 VanDerWaalsContact C-N 3.26Å; C384-V386 PolarHBondContact O-N 3.2Å; C384-V386 PolarHBondContact SG-N 3.18Å |
| 385 | S | 91.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 36.7 Ų | 36.7 | 47% | 0.469 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -73.2 | -21.1 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | D275 P387 | D275-S385 PolarHBondContact O-N 3.37Å; S385-P387 WeakPolarHBondContact O-CD 3.04Å |
| 386 | V | 91.3 | Very high | 89.5 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -87.8 | 114.3 | -178 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | V31 F274 R350 C384 | V31-V386 HydrophobicContact CG2-CG1 3.41Å; V31-V386 VanDerWaalsContact CG2-CG1 3.41Å; V31-V386 HydrophobicContact CG2-CG2 4.39Å; F274-V386 HydrophobicContact CB-CB 3.96Å; F274-V386 HydrophobicContact CB-CG2 3.77Å; F274-V386 HydrophobicContact CD1-CB 4.37Å; F274-V386 HydrophobicContact CD1-CG1 4.31Å; F274-V386 HydrophobicContact CD1-CG2 4.05Å; F274-V386 HydrophobicContact CD2-CB 4.06Å; F274-V386 HydrophobicContact CD2-CG1 4.02Å; F274-V386 HydrophobicContact CE1-CG1 4.44Å; F274-V386 HydrophobicContact CE2-CG1 4.14Å; F274-V386 HydrophobicContact CG-CB 3.88Å; F274-V386 HydrophobicContact CG-CG1 4.1Å; F274-V386 HydrophobicContact CG-CG2 3.89Å; F274-V386 HydrophobicContact CZ-CG1 4.37Å; R350-V386 PolarHBondContact NE-O 3.21Å; R350-V386 PolarHBondContact NH2-O 3.15Å; R350-V386 VanDerWaalsContact NH2-O 3.08Å; C384-V386 VanDerWaalsContact C-N 3.26Å; C384-V386 PolarHBondContact O-N 3.2Å; C384-V386 PolarHBondContact SG-N 3.18Å |
| 387 | P | 89.1 | Confident | 90 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 26% | 0.26 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 157 | 176 | 32.6 | -35.3 | 0 | 0 | 0 | 111.8 | S385 H391 A392 | S385-P387 WeakPolarHBondContact O-CD 3.04Å; P387-H391 WeakPolarHBondContact CB-O 3.42Å; P387-A392 WeakPolarHBondContact CB-O 3.36Å |
| 388 | P | 87.6 | Confident | 90.5 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 155.9 | 169.8 | -15.7 | 29 | 0 | 0 | 0 | 112 | G390 H391 S394 | P388-G390 PolarHBondContact O-N 2.77Å; P388-H391 HydrophobicContact CB-CB 4.43Å; P388-H391 PolarHBondContact O-N 3.27Å; P388-S394 WeakPolarHBondContact CG-OG 3.3Å |
| 389 | V | 83.4 | Confident | 90.8 | Very high | 68 Ų | 68 | 24.9 Ų | 24.9 | 41% | 0.412 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 130.1 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | E27 H30 H391 | E27-V389 HydrophobicContact CB-CG2 4.17Å; E27-V389 HydrophobicContact CG-CG2 4.4Å; H30-V389 HydrophobicContact CB-CG2 3.86Å; V389-H391 VanDerWaalsContact C-N 3.27Å; V389-H391 PolarHBondContact O-N 3.16Å |
| 390 | G | 76.4 | Confident | 91 | Very high | 37 Ų | 37 | 23.1 Ų | 23.1 | 38% | 0.381 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -7.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T307 P388 | T307-G390 VanDerWaalsContact CG2-O 3.31Å; T307-G390 WeakPolarHBondContact CG2-O 3.22Å; T307-G390 PolarHBondContact OG1-O 2.95Å; P388-G390 PolarHBondContact O-N 2.77Å |
| 391 | H | 78.6 | Confident | 91 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | trans | -120.7 | 142 | -179.7 | -66.5 | -104 | 0 | 0 | 0 | 111.1 | S238 T307 P387 P388 V389 | S238-H391 PolarHBondContact O-NE2 3.26Å; T307-H391 HydrophobicContact CG2-CB 4.13Å; T307-H391 VanDerWaalsContact CG2-ND1 3.35Å; T307-H391 WeakPolarHBondContact CG2-ND1 3.33Å; P387-H391 WeakPolarHBondContact CB-O 3.42Å; P388-H391 HydrophobicContact CB-CB 4.43Å; P388-H391 PolarHBondContact O-N 3.27Å; V389-H391 VanDerWaalsContact C-N 3.27Å; V389-H391 PolarHBondContact O-N 3.16Å | ||
| 392 | A | 82.4 | Confident | 91.1 | Very high | 66 Ų | 66 | 19 Ų | 19 | 55% | 0.545 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -77 | -34.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | P387 | P387-A392 WeakPolarHBondContact CB-O 3.36Š|
| 393 | H | 86.7 | Confident | 91.1 | Very high | 62 Ų | 62 | 19.2 Ų | 19.2 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 152.4 | 178 | -49.9 | -75.4 | 0 | 0 | 0 | 109.7 | P304 M321 R350 N352 V353 | P304-H393 VanDerWaalsContact CD-O 3.28Å; P304-H393 WeakPolarHBondContact CD-O 3.42Å; M321-H393 HydrophobicContact SD-CB 4.32Å; R350-H393 WeakPolarHBondContact O-CA 3.15Å; N352-H393 PolarHBondContact N-ND1 2.84Å; N352-H393 PolarHBondContact O-CE1 3.48Å; V353-H393 WeakPolarHBondContact CG2-ND1 3.41Å |
| 394 | S | 90.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.1 | 165.1 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | N267 T303 V349 R350 P388 | N267-S394 PolarHBondContact OD1-OG 3.36Å; T303-S394 CarbonylContact O-C 3.38Å; T303-S394 WeakPolarHBondContact O-CA 3.32Å; V349-S394 CarbonylContact C-O 3.59Å; V349-S394 WeakPolarHBondContact CA-O 3.11Å; R350-S394 WeakPolarHBondContact CB-OG 3.36Å; R350-S394 PolarHBondContact N-O 3.35Å; R350-S394 PolarHBondContact O-N 3.29Å; R350-S394 VanDerWaalsContact O-N 3.1Å; P388-S394 WeakPolarHBondContact CG-OG 3.3Å |
| 395 | L | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 121.8 | 174.5 | 171.5 | 63 | 0 | 0 | 0 | 108.2 | T303 M321 F322 A325 L347 M348 V349 | T303-L395 PolarHBondContact N-O 2.97Å; T303-L395 PolarHBondContact O-N 3.48Å; M321-L395 HydrophobicContact CE-CB 3.81Å; M321-L395 HydrophobicContact CG-CB 4.02Å; M321-L395 HydrophobicContact CG-CD2 4.47Å; M321-L395 HydrophobicContact SD-CB 3.9Å; F322-L395 HydrophobicContact CB-CD2 4.4Å; F322-L395 HydrophobicContact CD1-CD2 3.92Å; F322-L395 HydrophobicContact CD2-CD2 4.21Å; F322-L395 HydrophobicContact CE1-CD2 4.24Å; F322-L395 HydrophobicContact CG-CD2 3.91Å; A325-L395 HydrophobicContact CB-CD2 3.64Å; A325-L395 HydrophobicContact CB-CG 4.23Å; L347-L395 HydrophobicContact CB-CD1 3.91Å; L347-L395 HydrophobicContact CD2-CD1 4.03Å; M348-L395 WeakPolarHBondContact O-CA 2.9Å; V349-L395 HydrophobicContact CG2-CD1 3.74Å |
| 396 | L | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.3 | 162.7 | 165.4 | 66.3 | 0 | 0 | 0 | 108.1 | L264 N267 I268 P300 S301 L302 M348 L398 | L264-L396 HydrophobicContact CD1-CD1 3.4Å; L264-L396 VanDerWaalsContact CD1-CD1 3.4Å; L264-L396 HydrophobicContact CD1-CD2 4.03Å; L264-L396 HydrophobicContact CD1-CG 4.39Å; N267-L396 HydrophobicContact CB-CB 3.67Å; N267-L396 HydrophobicContact CB-CD2 3.75Å; N267-L396 HydrophobicContact CB-CG 4.31Å; I268-L396 HydrophobicContact CB-CD2 3.75Å; I268-L396 HydrophobicContact CG1-CD2 4.5Å; P300-L396 HydrophobicContact CB-CD1 4.37Å; S301-L396 WeakPolarHBondContact O-CA 3.42Å; S301-L396 WeakPolarHBondContact O-CD1 3.45Å; L302-L396 HydrophobicContact CD2-CB 4.15Å; L302-L396 HydrophobicContact CD2-CD1 3.87Å; M348-L396 HydrophobicContact CB-CB 4.21Å; M348-L396 PolarHBondContact N-O 3.18Å; M348-L396 PolarHBondContact O-N 3.31Å; M348-L396 HydrophobicContact SD-CD2 4.03Å; L396-L398 HydrophobicContact CD1-CD2 3.86Å; L396-L398 HydrophobicContact CD1-CG 4.46Å; L396-L398 HydrophobicContact CD2-CD2 4.26Å; L396-L398 HydrophobicContact CD2-CG 4.39Å; L396-L398 HydrophobicContact CG-CD2 4.15Å; L396-L398 HydrophobicContact CG-CG 4.25Å |
| 397 | A | 97.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P300 S301 A325 A346 L347 | P300-A397 CarbonylContact C-O 3.56Å; P300-A397 WeakPolarHBondContact CA-O 3.31Å; S301-A397 PolarHBondContact N-O 2.92Å; S301-A397 PolarHBondContact O-N 3.3Å; A325-A397 HydrophobicContact CB-CB 4.23Å; A346-A397 CarbonylContact O-C 3.56Å; A346-A397 WeakPolarHBondContact O-CA 3.39Å; L347-A397 HydrophobicContact CD2-CB 3.76Å |
| 398 | L | 97.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 113.8 | 170.4 | -59.4 | 179.3 | 0 | 0 | 0 | 107.9 | L207 L264 I268 I285 L289 L298 P300 C345 A346 M348 L396 | L207-L398 HydrophobicContact CD2-CD2 4.01Å; L264-L398 HydrophobicContact CD1-CD2 4.43Å; I268-L398 HydrophobicContact CD1-CD1 3.91Å; I268-L398 HydrophobicContact CG1-CD1 4.2Å; I285-L398 HydrophobicContact CD1-CD1 4.33Å; I285-L398 HydrophobicContact CG2-CD1 4.09Å; L289-L398 HydrophobicContact CD1-CB 4.14Å; L298-L398 HydrophobicContact CB-CB 4.43Å; L298-L398 HydrophobicContact CD1-CB 4.42Å; L298-L398 HydrophobicContact CD1-CD1 4.5Å; P300-L398 HydrophobicContact CB-CD2 3.93Å; C345-L398 CarbonylContact C-O 3.49Å; C345-L398 WeakPolarHBondContact CA-O 3.32Å; A346-L398 HydrophobicContact CB-CB 4.34Å; A346-L398 PolarHBondContact N-O 3.43Å; A346-L398 PolarHBondContact O-N 3.11Å; M348-L398 HydrophobicContact SD-CD1 4.43Å; L396-L398 HydrophobicContact CD1-CD2 3.86Å; L396-L398 HydrophobicContact CD1-CG 4.46Å; L396-L398 HydrophobicContact CD2-CD2 4.26Å; L396-L398 HydrophobicContact CD2-CG 4.39Å; L396-L398 HydrophobicContact CG-CD2 4.15Å; L396-L398 HydrophobicContact CG-CG 4.25Å |
| 399 | A | 97 | Very high | 92 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | L298 V299 Y342 N401 | L298-A399 CarbonylContact C-O 3.54Å; V299-A399 PolarHBondContact N-O 3.07Å; V299-A399 PolarHBondContact O-N 3.22Å; Y342-A399 HydrophobicContact CD1-CB 4.08Å; Y342-A399 HydrophobicContact CE1-CB 3.7Å; A399-N401 HydrophobicContact CB-CB 4.21Å; A399-N401 PolarHBondContact O-N 3.23Å |
| 400 | N | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 102.6 | 161.6 | -166.6 | -17.9 | 0 | 0 | 0 | 107.8 | L289 L295 L298 L343 A344 | L289-N400 VanDerWaalsContact O-CB 3.31Å; L289-N400 WeakPolarHBondContact O-CB 3.3Å; L289-N400 PolarHBondContact O-ND2 3.41Å; L295-N400 PolarHBondContact O-ND2 2.96Å; L295-N400 PolarHBondContact O-OD1 3.43Å; L298-N400 HydrophobicContact CD2-CB 3.59Å; L343-N400 HydrophobicContact CB-CB 4.1Å; L343-N400 PolarHBondContact N-O 3.38Å; A344-N400 PolarHBondContact N-O 2.87Å; A344-N400 PolarHBondContact O-N 2.93Å |
| 401 | N | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144.1 | -166.5 | -172.1 | -61.3 | 0 | 0 | 0 | 110.8 | P337 S340 L341 Y342 A399 C403 | P337-N401 PolarHBondContact O-ND2 3.45Å; P337-N401 VanDerWaalsContact O-ND2 3.16Å; S340-N401 WeakPolarHBondContact CB-OD1 3.02Å; L341-N401 WeakPolarHBondContact O-CA 3.36Å; Y342-N401 HydrophobicContact CD1-CB 4.31Å; Y342-N401 WeakPolarHBondContact CD1-ND2 3.36Å; Y342-N401 WeakPolarHBondContact CD2-ND2 3.43Å; Y342-N401 HydrophobicContact CE1-CB 4.5Å; Y342-N401 WeakPolarHBondContact CE1-ND2 3.44Å; Y342-N401 WeakPolarHBondContact CE2-ND2 3.42Å; Y342-N401 VanDerWaalsContact CG-ND2 3.31Å; A399-N401 HydrophobicContact CB-CB 4.21Å; A399-N401 PolarHBondContact O-N 3.23Å; N401-C403 PolarHBondContact O-N 3.3Å; N401-C403 WeakPolarHBondContact OD1-CB 3.1Å; N401-C403 PolarHBondContact OD1-N 3.19Å; N401-C403 PolarHBondContact OD1-SG 2.88Å; N401-C403 VanDerWaalsContact OD1-SG 3.35Å |
| 402 | T | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -64.4 | -6.8 | 178.5 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | S340 L341 L343 V404 K405 Y453 L456 D457 | S340-T402 WeakPolarHBondContact CB-OG1 3.33Å; L341-T402 HydrophobicContact CB-CG2 3.99Å; L341-T402 PolarHBondContact N-OG1 3.22Å; L341-T402 PolarHBondContact O-N 3.41Å; L343-T402 HydrophobicContact CD1-CG2 4.15Å; T402-V404 PolarHBondContact O-N 2.8Å; T402-K405 VanDerWaalsContact O-CB 3.26Å; T402-K405 WeakPolarHBondContact O-CB 3.35Å; T402-K405 PolarHBondContact O-N 3.45Å; T402-Y453 HydrophobicContact CG2-CD1 4.2Å; T402-L456 HydrophobicContact CG2-CB 4.04Å; T402-D457 HydrophobicContact CG2-CB 4.26Å; T402-D457 PolarHBondContact OG1-OD1 3.24Å; T402-D457 VanDerWaalsContact OG1-OD1 3.11Å |
| 403 | C | 94.6 | Very high | 95 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -66.4 | -10.4 | 178.3 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | A335 N401 K405 P406 | A335-C403 HydrophobicContact CB-CB 3.91Å; A335-C403 WeakPolarHBondContact CB-O 3.09Å; N401-C403 PolarHBondContact O-N 3.3Å; N401-C403 WeakPolarHBondContact OD1-CB 3.1Å; N401-C403 PolarHBondContact OD1-N 3.19Å; N401-C403 PolarHBondContact OD1-SG 2.88Å; N401-C403 VanDerWaalsContact OD1-SG 3.35Å; C403-K405 PolarHBondContact O-N 2.85Å; C403-P406 WeakPolarHBondContact O-CD 3.17Å |
| 404 | V | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -69.8 | -22.4 | 172 | -63.1 | 0 | 0 | 0 | 0 | 113 | V299 T402 T407 F408 Y453 | V299-V404 HydrophobicContact CG2-CG1 3.29Å; T402-V404 PolarHBondContact O-N 2.8Å; V404-T407 PolarHBondContact O-N 2.85Å; V404-T407 VanDerWaalsContact O-N 3.16Å; V404-F408 HydrophobicContact CB-CD2 4.46Å; V404-F408 HydrophobicContact CB-CE1 4.3Å; V404-F408 HydrophobicContact CB-CE2 3.95Å; V404-F408 HydrophobicContact CB-CZ 3.85Å; V404-F408 HydrophobicContact CG2-CD2 4.2Å; V404-F408 HydrophobicContact CG2-CE2 3.65Å; V404-F408 HydrophobicContact CG2-CZ 4.02Å; V404-F408 PolarHBondContact O-N 3.29Å; V404-F408 VanDerWaalsContact O-N 3.15Å; V404-Y453 HydrophobicContact CG2-CD1 4.17Å; V404-Y453 HydrophobicContact CG2-CD2 3.95Å; V404-Y453 HydrophobicContact CG2-CE1 3.87Å; V404-Y453 HydrophobicContact CG2-CE2 3.64Å; V404-Y453 HydrophobicContact CG2-CG 4.21Å |
| 405 | K | 93.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 20.7 Ų | 20.7 | 14% | 0.143 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53 | -49.1 | -174.6 | 179.2 | -173 | 71.7 | -171.5 | 0 | 113.7 | T402 C403 T407 F408 M409 I450 H454 D457 | T402-K405 VanDerWaalsContact O-CB 3.26Å; T402-K405 WeakPolarHBondContact O-CB 3.35Å; T402-K405 PolarHBondContact O-N 3.45Å; C403-K405 PolarHBondContact O-N 2.85Å; K405-T407 VanDerWaalsContact C-N 3.33Å; K405-T407 PolarHBondContact O-N 2.83Å; K405-F408 PolarHBondContact O-N 3.34Å; K405-M409 HydrophobicContact CD-SD 4.44Å; K405-M409 HydrophobicContact CG-CG 4.38Å; K405-M409 HydrophobicContact CG-SD 3.93Å; K405-M409 VanDerWaalsContact O-CG 3.3Å; K405-M409 WeakPolarHBondContact O-CG 3.29Å; K405-M409 PolarHBondContact O-N 2.99Å; K405-I450 HydrophobicContact CG-CG2 4.27Å; K405-H454 HydrophobicContact CD-CB 4.14Å; K405-D457 IonicContact NZ-OD2 3.89Å; K405-D457 PolarHBondContact NZ-OD2 2.86Å |
| 406 | P | 93.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 22.2 Ų | 22.2 | 47% | 0.468 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 179.4 | -22.8 | 36.2 | 0 | 0 | 0 | 113.1 | C403 F408 M409 E410 | C403-P406 WeakPolarHBondContact O-CD 3.17Å; P406-F408 VanDerWaalsContact C-N 3.35Å; P406-F408 PolarHBondContact O-N 2.77Å; P406-M409 PolarHBondContact O-N 3.08Å; P406-E410 WeakPolarHBondContact O-CB 3.18Å; P406-E410 PolarHBondContact O-N 3.29Å |
| 407 | T | 93.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.055 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.7 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | I333 V404 K405 E410 L411 | I333-T407 HydrophobicContact CD1-CG2 3.98Å; I333-T407 HydrophobicContact CG1-CG2 4.24Å; V404-T407 PolarHBondContact O-N 2.85Å; V404-T407 VanDerWaalsContact O-N 3.16Å; K405-T407 VanDerWaalsContact C-N 3.33Å; K405-T407 PolarHBondContact O-N 2.83Å; T407-E410 PolarHBondContact O-N 2.76Å; T407-L411 PolarHBondContact O-N 2.81Å |
| 408 | F | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -38.8 | 177.4 | -64.6 | -7.7 | 0 | 0 | 0 | 112.3 | M196 Y297 V404 K405 P406 L411 R412 L446 L449 I450 Y453 | M196-F408 HydrophobicContact CE-CD1 3.54Å; M196-F408 HydrophobicContact CE-CD2 3.67Å; M196-F408 HydrophobicContact CE-CE1 3.37Å; M196-F408 HydrophobicContact CE-CE2 3.49Å; M196-F408 VanDerWaalsContact CE-CE2 3.49Å; M196-F408 HydrophobicContact CE-CG 3.7Å; M196-F408 HydrophobicContact CE-CZ 3.34Å; M196-F408 HydrophobicContact SD-CD1 4.24Å; M196-F408 HydrophobicContact SD-CE1 4.32Å; Y297-F408 HydrophobicContact CD1-CE1 4.43Å; Y297-F408 AromaticContact CD1-CZ 3.72Å; Y297-F408 HydrophobicContact CD1-CZ 3.72Å; Y297-F408 HydrophobicContact CD2-CE2 4.21Å; Y297-F408 HydrophobicContact CD2-CZ 4.03Å; Y297-F408 HydrophobicContact CE1-CZ 4.06Å; Y297-F408 HydrophobicContact CE2-CZ 4.38Å; Y297-F408 HydrophobicContact CG-CE2 4.29Å; Y297-F408 AromaticContact CG-CZ 3.7Å; Y297-F408 HydrophobicContact CG-CZ 3.7Å; V404-F408 HydrophobicContact CB-CD2 4.46Å; V404-F408 HydrophobicContact CB-CE1 4.3Å; V404-F408 HydrophobicContact CB-CE2 3.95Å; V404-F408 HydrophobicContact CB-CZ 3.85Å; V404-F408 HydrophobicContact CG2-CD2 4.2Å; V404-F408 HydrophobicContact CG2-CE2 3.65Å; V404-F408 HydrophobicContact CG2-CZ 4.02Å; V404-F408 PolarHBondContact O-N 3.29Å; V404-F408 VanDerWaalsContact O-N 3.15Å; K405-F408 PolarHBondContact O-N 3.34Å; P406-F408 VanDerWaalsContact C-N 3.35Å; P406-F408 PolarHBondContact O-N 2.77Å; F408-L411 PolarHBondContact O-N 2.94Å; F408-R412 WeakPolarHBondContact O-CB 3.35Å; F408-R412 PolarHBondContact O-N 2.65Å; F408-L446 HydrophobicContact CB-CD1 3.99Å; F408-L446 HydrophobicContact CG-CD1 4.33Å; F408-L449 HydrophobicContact CD2-CD2 4.02Å; F408-L449 HydrophobicContact CD2-CG 4.47Å; F408-L449 HydrophobicContact CE2-CD2 3.74Å; F408-L449 HydrophobicContact CE2-CG 4.37Å; F408-I450 HydrophobicContact CB-CD1 3.99Å; F408-I450 HydrophobicContact CB-CG1 3.68Å; F408-Y453 HydrophobicContact CD2-CD2 4.48Å; F408-Y453 HydrophobicContact CD2-CE2 4.48Å; F408-Y453 HydrophobicContact CE2-CD2 4.32Å; F408-Y453 AromaticContact CE2-CE2 3.88Å; F408-Y453 HydrophobicContact CE2-CE2 3.88Å |
| 409 | M | 96.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 34% | 0.335 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63 | -44.2 | 173.9 | -70.1 | 175.3 | 71.2 | 0 | 0 | 111.7 | K405 P406 L411 R412 D413 I450 | K405-M409 HydrophobicContact CD-SD 4.44Å; K405-M409 HydrophobicContact CG-CG 4.38Å; K405-M409 HydrophobicContact CG-SD 3.93Å; K405-M409 VanDerWaalsContact O-CG 3.3Å; K405-M409 WeakPolarHBondContact O-CG 3.29Å; K405-M409 PolarHBondContact O-N 2.99Å; P406-M409 PolarHBondContact O-N 3.08Å; M409-L411 PolarHBondContact O-N 3.49Å; M409-R412 PolarHBondContact O-N 2.84Å; M409-D413 WeakPolarHBondContact O-CB 3.28Å; M409-D413 PolarHBondContact O-N 2.82Å; M409-I450 HydrophobicContact CG-CD1 4.15Å; M409-I450 HydrophobicContact CG-CG1 4.45Å; M409-I450 HydrophobicContact CG-CG2 3.8Å; M409-I450 HydrophobicContact SD-CG2 4.44Å |
| 410 | E | 95 | Very high | 95.6 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.6 | -177.5 | 177.2 | 175.5 | 0 | 0 | 111.6 | R334 P406 T407 D413 R414 | R334-E410 IonicContact CZ-OE2 3.73Å; R334-E410 IonicContact NH2-OE1 2.7Å; R334-E410 PolarHBondContact NH2-OE1 3.08Å; R334-E410 IonicContact NH2-OE2 2.65Å; R334-E410 PolarHBondContact NH2-OE2 3.26Å; P406-E410 WeakPolarHBondContact O-CB 3.18Å; P406-E410 PolarHBondContact O-N 3.29Å; T407-E410 PolarHBondContact O-N 2.76Å; E410-D413 PolarHBondContact O-N 2.92Å; E410-R414 WeakPolarHBondContact O-CG 3.06Å; E410-R414 PolarHBondContact O-N 2.8Å |
| 411 | L | 95.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 175.9 | 175.6 | 58.8 | 0 | 0 | 0 | 111.7 | Y178 P189 V193 M196 T407 F408 M409 D413 R414 F415 L446 | Y178-L411 HydrophobicContact CE1-CD2 4.2Å; P189-L411 HydrophobicContact CB-CD1 4.32Å; V193-L411 HydrophobicContact CG2-CD1 4.09Å; V193-L411 HydrophobicContact CG2-CD2 4.12Å; V193-L411 HydrophobicContact CG2-CG 3.79Å; M196-L411 HydrophobicContact SD-CD2 4.06Å; T407-L411 PolarHBondContact O-N 2.81Å; F408-L411 PolarHBondContact O-N 2.94Å; M409-L411 PolarHBondContact O-N 3.49Å; L411-D413 VanDerWaalsContact C-N 3.29Å; L411-D413 PolarHBondContact O-N 3.38Å; L411-R414 PolarHBondContact O-N 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.4Å; L411-F415 PolarHBondContact O-N 3.04Å; L411-L446 HydrophobicContact CG-CD2 4.44Å |
| 412 | R | 97.1 | Very high | 95.5 | Very high | 49 Ų | 49 | 55.4 Ų | 55.4 | 19% | 0.185 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -42.6 | 176 | -176.4 | -160.9 | 62.7 | -162.3 | -5.4 | 111.6 | F408 M409 F415 T416 L443 L446 I450 | F408-R412 WeakPolarHBondContact O-CB 3.35Å; F408-R412 PolarHBondContact O-N 2.65Å; M409-R412 PolarHBondContact O-N 2.84Å; R412-F415 PolarHBondContact O-N 2.75Å; R412-T416 VanDerWaalsContact O-CB 3.28Å; R412-T416 WeakPolarHBondContact O-CB 3.33Å; R412-T416 PolarHBondContact O-N 3.37Å; R412-T416 PolarHBondContact O-OG1 3.39Å; R412-L443 HydrophobicContact CG-CD1 3.6Å; R412-L446 HydrophobicContact CB-CD2 3.83Å; R412-L446 HydrophobicContact CB-CG 4.37Å; R412-L446 HydrophobicContact CG-CD2 4.45Å; R412-I450 HydrophobicContact CB-CD1 4.14Å |
| 413 | D | 96.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | -178.3 | -69.7 | -1.6 | 0 | 0 | 0 | 111.2 | M409 E410 L411 T416 K417 | M409-D413 WeakPolarHBondContact O-CB 3.28Å; M409-D413 PolarHBondContact O-N 2.82Å; E410-D413 PolarHBondContact O-N 2.92Å; L411-D413 VanDerWaalsContact C-N 3.29Å; L411-D413 PolarHBondContact O-N 3.38Å; D413-T416 PolarHBondContact O-N 2.63Å; D413-K417 WeakPolarHBondContact O-CB 3.39Å; D413-K417 VanDerWaalsContact O-CG 3.24Å; D413-K417 WeakPolarHBondContact O-CG 3.36Å; D413-K417 PolarHBondContact O-N 3.17Å |
| 414 | R | 95.1 | Very high | 95.5 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 172.5 | -72.4 | 174 | 68.6 | -171.3 | 4.3 | 111.5 | S180 P189 E410 L411 T416 K417 L418 | S180-R414 PolarHBondContact O-NH1 2.99Å; S180-R414 PolarHBondContact O-NH2 3.17Å; P189-R414 HydrophobicContact CB-CB 3.97Å; P189-R414 HydrophobicContact CG-CB 3.88Å; E410-R414 WeakPolarHBondContact O-CG 3.06Å; E410-R414 PolarHBondContact O-N 2.8Å; L411-R414 PolarHBondContact O-N 3.31Å; R414-T416 VanDerWaalsContact C-N 3.35Å; R414-T416 PolarHBondContact O-N 3.33Å; R414-K417 PolarHBondContact O-N 3.49Å; R414-L418 PolarHBondContact O-N 3.47Å |
| 415 | F | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -50.4 | 174.1 | 177 | -78.9 | 0 | 0 | 0 | 111.1 | P189 Y190 V193 L411 R412 K417 L418 Y419 F439 L443 | P189-F415 HydrophobicContact CB-CB 4.29Å; Y190-F415 AromaticContact CD1-CD2 3.56Å; Y190-F415 HydrophobicContact CD1-CD2 3.56Å; Y190-F415 AromaticContact CD1-CE2 3.52Å; Y190-F415 HydrophobicContact CD1-CE2 3.52Å; Y190-F415 HydrophobicContact CD1-CG 4.27Å; Y190-F415 HydrophobicContact CD1-CZ 4.18Å; Y190-F415 HydrophobicContact CE1-CD2 4.26Å; Y190-F415 HydrophobicContact CE1-CE2 4.19Å; Y190-F415 HydrophobicContact CE1-CZ 4.45Å; Y190-F415 HydrophobicContact CG-CE2 4.49Å; V193-F415 HydrophobicContact CB-CD2 3.45Å; V193-F415 VanDerWaalsContact CB-CD2 3.45Å; V193-F415 HydrophobicContact CB-CE2 3.78Å; V193-F415 HydrophobicContact CB-CG 4.22Å; V193-F415 HydrophobicContact CG1-CD2 3.82Å; V193-F415 HydrophobicContact CG1-CE2 3.81Å; V193-F415 HydrophobicContact CG1-CG 4.38Å; V193-F415 HydrophobicContact CG1-CZ 4.39Å; V193-F415 HydrophobicContact CG2-CB 3.74Å; V193-F415 HydrophobicContact CG2-CD2 3.49Å; V193-F415 VanDerWaalsContact CG2-CD2 3.49Å; V193-F415 HydrophobicContact CG2-CE2 4.3Å; V193-F415 HydrophobicContact CG2-CG 3.83Å; L411-F415 WeakPolarHBondContact O-CB 3.4Å; L411-F415 PolarHBondContact O-N 3.04Å; R412-F415 PolarHBondContact O-N 2.75Å; F415-K417 VanDerWaalsContact C-N 3.31Å; F415-K417 PolarHBondContact O-N 2.96Å; F415-L418 PolarHBondContact O-N 3.17Å; F415-L418 VanDerWaalsContact O-N 3.16Å; F415-Y419 HydrophobicContact CE1-CD1 4.37Å; F415-Y419 HydrophobicContact CE1-CD2 4.48Å; F415-Y419 HydrophobicContact CE1-CG 4.03Å; F415-Y419 WeakPolarHBondContact O-CB 3.38Å; F415-Y419 PolarHBondContact O-N 3.41Å; F415-F439 AromaticContact CE2-CD1 3.98Å; F415-F439 HydrophobicContact CE2-CD1 3.98Å; F415-F439 HydrophobicContact CZ-CB 4.11Å; F415-F439 AromaticContact CZ-CD1 3.81Å; F415-F439 HydrophobicContact CZ-CD1 3.81Å; F415-F439 HydrophobicContact CZ-CG 4.48Å; F415-L443 HydrophobicContact CD1-CB 4.44Å; F415-L443 HydrophobicContact CD1-CD1 3.82Å; F415-L443 HydrophobicContact CD1-CD2 4.24Å; F415-L443 HydrophobicContact CD1-CG 4.39Å; F415-L443 HydrophobicContact CE1-CB 3.89Å; F415-L443 HydrophobicContact CE1-CD1 4.11Å; F415-L443 HydrophobicContact CE1-CD2 3.96Å; F415-L443 HydrophobicContact CE1-CG 4.2Å; F415-L443 HydrophobicContact CZ-CB 4.35Å |
| 416 | T | 97.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 63 Ų | 63 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -38.4 | -176.5 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | R412 D413 R414 Y419 K420 | R412-T416 VanDerWaalsContact O-CB 3.28Å; R412-T416 WeakPolarHBondContact O-CB 3.33Å; R412-T416 PolarHBondContact O-N 3.37Å; R412-T416 PolarHBondContact O-OG1 3.39Å; D413-T416 PolarHBondContact O-N 2.63Å; R414-T416 VanDerWaalsContact C-N 3.35Å; R414-T416 PolarHBondContact O-N 3.33Å; T416-Y419 PolarHBondContact O-N 3.46Å; T416-K420 HydrophobicContact CG2-CD 3.92Å; T416-K420 VanDerWaalsContact CG2-CE 3.5Å; T416-K420 HydrophobicContact CG2-CG 4.18Å; T416-K420 WeakPolarHBondContact O-CB 3.27Å; T416-K420 VanDerWaalsContact O-CG 3.26Å; T416-K420 WeakPolarHBondContact O-CG 3.44Å; T416-K420 PolarHBondContact O-N 3.1Å |
| 417 | K | 95.3 | Very high | 95.6 | Very high | 146 Ų | 146 | 63.9 Ų | 63.9 | 64% | 0.635 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 175.5 | -75.8 | 169.4 | -174.2 | 174.9 | 0 | 112 | D413 R414 F415 | D413-K417 WeakPolarHBondContact O-CB 3.39Å; D413-K417 VanDerWaalsContact O-CG 3.24Å; D413-K417 WeakPolarHBondContact O-CG 3.36Å; D413-K417 PolarHBondContact O-N 3.17Å; R414-K417 PolarHBondContact O-N 3.49Å; F415-K417 VanDerWaalsContact C-N 3.31Å; F415-K417 PolarHBondContact O-N 2.96Å |
| 418 | L | 94.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.1 | -47 | 176.4 | -69.9 | 173.4 | 0 | 0 | 0 | 111.5 | I186 P189 Y190 R414 F415 K420 K421 K422 A423 | I186-L418 HydrophobicContact CG2-CD2 4.45Å; I186-L418 WeakPolarHBondContact O-CD1 3.46Å; P189-L418 HydrophobicContact CB-CD1 4.05Å; P189-L418 HydrophobicContact CG-CD1 3.69Å; Y190-L418 HydrophobicContact CE1-CB 3.87Å; Y190-L418 HydrophobicContact CE2-CB 4.45Å; Y190-L418 PolarHBondContact OH-O 3.42Å; R414-L418 PolarHBondContact O-N 3.47Å; F415-L418 PolarHBondContact O-N 3.17Å; F415-L418 VanDerWaalsContact O-N 3.16Å; L418-K420 PolarHBondContact O-N 3.4Å; L418-K421 PolarHBondContact O-N 2.65Å; L418-K421 VanDerWaalsContact O-N 3.13Å; L418-K422 PolarHBondContact O-N 2.87Å; L418-A423 HydrophobicContact CD2-CB 4.25Å; L418-A423 PolarHBondContact O-N 2.72Å |
| 419 | Y | 96.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | -175.4 | -167 | -118.1 | 0 | 0 | 0 | 112.5 | Y190 F415 T416 K421 K422 L425 Q436 F439 S440 | Y190-Y419 HydrophobicContact CE1-CD2 4.22Å; Y190-Y419 VanDerWaalsContact OH-CA 3.27Å; Y190-Y419 WeakPolarHBondContact OH-CA 3.28Å; Y190-Y419 PolarHBondContact OH-N 2.67Å; F415-Y419 HydrophobicContact CE1-CD1 4.37Å; F415-Y419 HydrophobicContact CE1-CD2 4.48Å; F415-Y419 HydrophobicContact CE1-CG 4.03Å; F415-Y419 WeakPolarHBondContact O-CB 3.38Å; F415-Y419 PolarHBondContact O-N 3.41Å; T416-Y419 PolarHBondContact O-N 3.46Å; Y419-K421 PolarHBondContact O-N 3.37Å; Y419-K422 WeakPolarHBondContact O-CA 3.31Å; Y419-K422 PolarHBondContact O-N 3.05Å; Y419-L425 HydrophobicContact CD2-CD1 4.27Å; Y419-L425 HydrophobicContact CE2-CD1 3.96Å; Y419-L425 HydrophobicContact CE2-CD2 4.12Å; Y419-Q436 WeakPolarHBondContact OH-CG 3.45Å; Y419-Q436 PolarHBondContact OH-NE2 3.38Å; Y419-Q436 VanDerWaalsContact OH-NE2 3.1Å; Y419-F439 HydrophobicContact CD2-CB 4.39Å; Y419-F439 HydrophobicContact CD2-CD1 4.41Å; Y419-F439 HydrophobicContact CE2-CB 3.74Å; Y419-F439 HydrophobicContact CE2-CD1 4.37Å; Y419-F439 HydrophobicContact CE2-CG 4.06Å; Y419-S440 PolarHBondContact OH-OG 2.91Å |
| 420 | K | 96.3 | Very high | 95.8 | Very high | 170 Ų | 170 | 70.1 Ų | 70.1 | 74% | 0.739 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.3 | -33.5 | 175.4 | -78.9 | 178.2 | 176.4 | 176.7 | 0 | 112.8 | T416 L418 K422 | T416-K420 HydrophobicContact CG2-CD 3.92Å; T416-K420 VanDerWaalsContact CG2-CE 3.5Å; T416-K420 HydrophobicContact CG2-CG 4.18Å; T416-K420 WeakPolarHBondContact O-CB 3.27Å; T416-K420 VanDerWaalsContact O-CG 3.26Å; T416-K420 WeakPolarHBondContact O-CG 3.44Å; T416-K420 PolarHBondContact O-N 3.1Å; L418-K420 PolarHBondContact O-N 3.4Å; K420-K422 VanDerWaalsContact C-N 3.32Å |
| 421 | K | 96.2 | Very high | 95.9 | Very high | 175 Ų | 175 | 67.8 Ų | 67.8 | 76% | 0.761 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -3.9 | 176.7 | -66.7 | -175.6 | 177.5 | -176.1 | 0 | 113 | L418 Y419 A423 | L418-K421 PolarHBondContact O-N 2.65Å; L418-K421 VanDerWaalsContact O-N 3.13Å; Y419-K421 PolarHBondContact O-N 3.37Å; K421-A423 HydrophobicContact CB-CB 4.32Å; K421-A423 PolarHBondContact O-N 3.21Å |
| 422 | K | 95.1 | Very high | 95.8 | Very high | 140 Ų | 140 | 74.4 Ų | 74.4 | 61% | 0.609 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 27.4 | -169.5 | -58.3 | -177.1 | 177.5 | -174.9 | 0 | 112.6 | L418 Y419 K420 H424 L425 | L418-K422 PolarHBondContact O-N 2.87Å; Y419-K422 WeakPolarHBondContact O-CA 3.31Å; Y419-K422 PolarHBondContact O-N 3.05Å; K420-K422 VanDerWaalsContact C-N 3.32Å; K422-H424 PolarHBondContact O-N 3.23Å; K422-L425 HydrophobicContact CB-CD2 4.39Å; K422-L425 HydrophobicContact CG-CD2 4.39Å; K422-L425 PolarHBondContact O-N 2.59Å |
| 423 | A | 94.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 75.4 Ų | 75.4 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 131.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109 | Y190 L418 K421 L425 | Y190-A423 WeakPolarHBondContact CE2-O 3.31Å; Y190-A423 PolarHBondContact OH-O 3.01Å; L418-A423 HydrophobicContact CD2-CB 4.25Å; L418-A423 PolarHBondContact O-N 2.72Å; K421-A423 HydrophobicContact CB-CB 4.32Å; K421-A423 PolarHBondContact O-N 3.21Å; A423-L425 PolarHBondContact O-N 2.73Å |
| 424 | H | 95.3 | Very high | 95.5 | Very high | 64 Ų | 64 | 72.8 Ų | 72.8 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 7.4 | -179.2 | -57.3 | -71 | 0 | 0 | 0 | 116.8 | T187 K422 H426 H427 Y428 | T187-H424 HydrophobicContact CG2-CB 3.6Å; K422-H424 PolarHBondContact O-N 3.23Å; H424-H426 VanDerWaalsContact C-N 3.3Å; H424-H426 PolarHBondContact O-N 3.01Å; H424-H427 AromaticContact ND1-CE1 3.67Å; H424-H427 AromaticContact ND1-ND1 3.83Å; H424-H427 WeakPolarHBondContact O-CB 3.19Å; H424-H427 PolarHBondContact O-N 2.82Å; H424-Y428 WeakPolarHBondContact O-CD2 2.8Å |
| 425 | L | 95.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | -176.9 | -175.5 | 64.4 | 0 | 0 | 0 | 112.1 | Y419 K422 A423 H427 Y428 L429 F439 | Y419-L425 HydrophobicContact CD2-CD1 4.27Å; Y419-L425 HydrophobicContact CE2-CD1 3.96Å; Y419-L425 HydrophobicContact CE2-CD2 4.12Å; K422-L425 HydrophobicContact CB-CD2 4.39Å; K422-L425 HydrophobicContact CG-CD2 4.39Å; K422-L425 PolarHBondContact O-N 2.59Å; A423-L425 PolarHBondContact O-N 2.73Å; L425-H427 PolarHBondContact O-N 3.45Å; L425-Y428 PolarHBondContact O-N 3.13Å; L425-L429 HydrophobicContact CD2-CD1 4.15Å; L425-L429 HydrophobicContact CG-CD1 3.87Å; L425-L429 HydrophobicContact CG-CG 4.2Å; L425-L429 PolarHBondContact O-N 3.11Å; L425-L429 VanDerWaalsContact O-N 3.14Å; L425-F439 HydrophobicContact CD1-CD1 4.19Å; L425-F439 HydrophobicContact CD1-CD2 3.81Å; L425-F439 HydrophobicContact CD1-CE1 3.92Å; L425-F439 HydrophobicContact CD1-CE2 3.5Å; L425-F439 VanDerWaalsContact CD1-CE2 3.5Å; L425-F439 HydrophobicContact CD1-CG 4.14Å; L425-F439 HydrophobicContact CD1-CZ 3.57Å |
| 426 | H | 94.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 80.7 Ų | 80.7 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -29.9 | 179.3 | 67.3 | -78.2 | 0 | 0 | 0 | 113.5 | H424 Y428 L429 H430 | H424-H426 VanDerWaalsContact C-N 3.3Å; H424-H426 PolarHBondContact O-N 3.01Å; H426-Y428 PolarHBondContact O-N 3.37Å; H426-L429 PolarHBondContact O-N 2.59Å; H426-H430 PolarHBondContact O-CD2 3.28Å; H426-H430 PolarHBondContact O-N 2.8Å; H426-H430 VanDerWaalsContact O-N 3.09Å |
| 427 | H | 95.4 | Very high | 95.3 | Very high | 91 Ų | 91 | 81.3 Ų | 81.3 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -30.5 | 175.1 | -65.2 | 171.3 | 0 | 0 | 0 | 112.2 | N108 H424 L425 | N108-H427 PolarHBondContact ND2-O 2.74Å; H424-H427 AromaticContact ND1-CE1 3.67Å; H424-H427 AromaticContact ND1-ND1 3.83Å; H424-H427 WeakPolarHBondContact O-CB 3.19Å; H424-H427 PolarHBondContact O-N 2.82Å; L425-H427 PolarHBondContact O-N 3.45Å |
| 428 | Y | 97.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -84.7 | -42.9 | 177.8 | -67.1 | -103.3 | 0 | 0 | 0 | 111.1 | N108 W109 A110 T187 Y190 N191 L194 H424 L425 H426 H430 V431 M434 F439 | N108-Y428 WeakPolarHBondContact OD1-CD1 3.43Å; N108-Y428 WeakPolarHBondContact OD1-CE1 3.43Å; W109-Y428 HydrophobicContact CB-CE1 4.19Å; A110-Y428 HydrophobicContact CB-CD1 3.94Å; T187-Y428 VanDerWaalsContact CB-OH 3.3Å; T187-Y428 WeakPolarHBondContact CB-OH 3.15Å; T187-Y428 HydrophobicContact CG2-CE2 4.28Å; Y190-Y428 HydrophobicContact CD2-CD2 4.32Å; Y190-Y428 AromaticContact CD2-CE2 3.72Å; Y190-Y428 HydrophobicContact CD2-CE2 3.72Å; Y190-Y428 HydrophobicContact CE2-CE2 4.5Å; N191-Y428 WeakPolarHBondContact OD1-CE1 3.46Å; N191-Y428 PolarHBondContact OD1-OH 2.97Å; L194-Y428 HydrophobicContact CD1-CD1 4.28Å; L194-Y428 HydrophobicContact CD1-CE1 4.21Å; H424-Y428 WeakPolarHBondContact O-CD2 2.8Å; L425-Y428 PolarHBondContact O-N 3.13Å; H426-Y428 PolarHBondContact O-N 3.37Å; Y428-H430 PolarHBondContact O-N 3.12Å; Y428-V431 VanDerWaalsContact O-CB 3.32Å; Y428-V431 WeakPolarHBondContact O-CB 3.24Å; Y428-V431 PolarHBondContact O-N 3.02Å; Y428-M434 VanDerWaalsContact O-CB 3.26Å; Y428-M434 WeakPolarHBondContact O-CB 3.28Å; Y428-M434 WeakPolarHBondContact O-CG 3.37Å; Y428-F439 AromaticContact CD1-CZ 3.85Å; Y428-F439 HydrophobicContact CD1-CZ 3.85Å; Y428-F439 HydrophobicContact CD2-CZ 4.14Å; Y428-F439 HydrophobicContact CG-CE1 4.46Å; Y428-F439 HydrophobicContact CG-CE2 4.45Å; Y428-F439 AromaticContact CG-CZ 3.59Å; Y428-F439 HydrophobicContact CG-CZ 3.59Å |
| 429 | L | 96.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 73.7 Ų | 73.7 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.1 | -16.5 | -177.7 | -61.8 | 178.7 | 0 | 0 | 0 | 114.1 | L425 H426 Q436 F439 | L425-L429 HydrophobicContact CD2-CD1 4.15Å; L425-L429 HydrophobicContact CG-CD1 3.87Å; L425-L429 HydrophobicContact CG-CG 4.2Å; L425-L429 PolarHBondContact O-N 3.11Å; L425-L429 VanDerWaalsContact O-N 3.14Å; H426-L429 PolarHBondContact O-N 2.59Å; L429-Q436 HydrophobicContact CD2-CB 4.07Å; L429-F439 HydrophobicContact CD2-CE2 4.46Å |
| 430 | H | 94.9 | Very high | 95.5 | Very high | 143 Ų | 143 | 74.6 Ų | 74.6 | 66% | 0.662 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.2 | 170.6 | -69.8 | 177.4 | 0 | 0 | 0 | 113.1 | H426 Y428 | H426-H430 PolarHBondContact O-CD2 3.28Å; H426-H430 PolarHBondContact O-N 2.8Å; H426-H430 VanDerWaalsContact O-N 3.09Å; Y428-H430 PolarHBondContact O-N 3.12Å |
| 431 | V | 96.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 9% | 0.085 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -83.2 | 126.5 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | A110 V111 L114 T115 Y428 G433 M434 | A110-V431 HydrophobicContact CB-CB 3.93Å; A110-V431 HydrophobicContact CB-CG1 4.09Å; A110-V431 HydrophobicContact CB-CG2 3.92Å; V111-V431 HydrophobicContact CG2-CG2 3.67Å; L114-V431 HydrophobicContact CB-CG1 4.3Å; L114-V431 HydrophobicContact CD1-CG1 4.47Å; T115-V431 VanDerWaalsContact OG1-CG1 3.31Å; T115-V431 WeakPolarHBondContact OG1-CG1 3.14Å; Y428-V431 VanDerWaalsContact O-CB 3.32Å; Y428-V431 WeakPolarHBondContact O-CB 3.24Å; Y428-V431 PolarHBondContact O-N 3.02Å; V431-G433 PolarHBondContact O-N 3.36Å; V431-M434 HydrophobicContact CB-CB 4.27Å; V431-M434 WeakPolarHBondContact O-CB 3.28Å; V431-M434 PolarHBondContact O-N 3.04Å |
| 432 | D | 94.1 | Very high | 95.7 | Very high | 151 Ų | 151 | 62.5 Ų | 62.5 | 81% | 0.807 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 130.1 | 178.1 | -66.9 | -31.4 | 0 | 0 | 0 | 111.2 | M434 | D432-M434 VanDerWaalsContact C-N 3.34Š|
| 433 | G | 91.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -7.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | V431 | V431-G433 PolarHBondContact O-N 3.36Š|
| 434 | M | 96.6 | Very high | 96 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.069 | 33% | 0.33 | C | S | . | . | trans | -88.9 | 114.3 | 176.5 | -169.9 | 63.4 | -171.1 | 0 | 0 | 111.6 | W109 A110 L114 L194 Y428 V431 D432 A438 F439 | W109-M434 HydrophobicContact CZ3-SD 4.15Å; A110-M434 HydrophobicContact CB-CB 4.12Å; A110-M434 HydrophobicContact CB-CG 3.94Å; A110-M434 HydrophobicContact CB-SD 4.07Å; L114-M434 HydrophobicContact CD1-CB 3.7Å; L114-M434 HydrophobicContact CD1-CG 4.44Å; L114-M434 HydrophobicContact CD1-SD 4.05Å; L194-M434 HydrophobicContact CD1-CE 4Å; L194-M434 HydrophobicContact CD2-CE 3.92Å; Y428-M434 VanDerWaalsContact O-CB 3.26Å; Y428-M434 WeakPolarHBondContact O-CB 3.28Å; Y428-M434 WeakPolarHBondContact O-CG 3.37Å; V431-M434 HydrophobicContact CB-CB 4.27Å; V431-M434 WeakPolarHBondContact O-CB 3.28Å; V431-M434 PolarHBondContact O-N 3.04Å; D432-M434 VanDerWaalsContact C-N 3.34Å; M434-A438 HydrophobicContact CE-CB 3.76Å; M434-A438 HydrophobicContact SD-CB 4.23Å; M434-F439 HydrophobicContact CE-CD2 3.53Å; M434-F439 HydrophobicContact CE-CE1 4.49Å; M434-F439 HydrophobicContact CE-CE2 3.14Å; M434-F439 HydrophobicContact CE-CG 4.36Å; M434-F439 HydrophobicContact CE-CZ 3.69Å; M434-F439 HydrophobicContact CG-CE2 4.41Å | ||
| 435 | E | 95.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 58.1 Ų | 58.1 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | trans | -104.1 | 157 | 175.8 | -65.3 | -171.9 | 174.8 | 0 | 0 | 112.6 | S437 A438 | E435-S437 WeakPolarHBondContact CB-OG 3.24Å; E435-S437 PolarHBondContact O-N 3.05Å; E435-S437 PolarHBondContact OE2-OG 2.78Å; E435-A438 WeakPolarHBondContact O-CB 3.41Å; E435-A438 PolarHBondContact O-N 3.5Å | ||
| 436 | Q | 94.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 58 Ų | 58 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -25.8 | 175 | -169 | 178.7 | -12 | 0 | 0 | 112.4 | Y419 L429 A438 F439 S440 | Y419-Q436 WeakPolarHBondContact OH-CG 3.45Å; Y419-Q436 PolarHBondContact OH-NE2 3.38Å; Y419-Q436 VanDerWaalsContact OH-NE2 3.1Å; L429-Q436 HydrophobicContact CD2-CB 4.07Å; Q436-A438 VanDerWaalsContact C-N 3.28Å; Q436-A438 PolarHBondContact O-N 3.2Å; Q436-F439 PolarHBondContact O-N 2.9Å; Q436-S440 PolarHBondContact O-OG 3.4Å |
| 437 | S | 95.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.3 | -43.5 | 172 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | E435 F439 S440 E441 | E435-S437 WeakPolarHBondContact CB-OG 3.24Å; E435-S437 PolarHBondContact O-N 3.05Å; E435-S437 PolarHBondContact OE2-OG 2.78Å; S437-F439 VanDerWaalsContact C-N 3.29Å; S437-F439 PolarHBondContact O-N 3.42Å; S437-S440 WeakPolarHBondContact O-CA 3.39Å; S437-S440 WeakPolarHBondContact O-CB 3.4Å; S437-S440 PolarHBondContact O-N 2.82Å; S437-E441 WeakPolarHBondContact O-CG 3.22Å; S437-E441 PolarHBondContact O-N 3.09Å |
| 438 | A | 96.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -37.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M434 E435 Q436 A442 | M434-A438 HydrophobicContact CE-CB 3.76Å; M434-A438 HydrophobicContact SD-CB 4.23Å; E435-A438 WeakPolarHBondContact O-CB 3.41Å; E435-A438 PolarHBondContact O-N 3.5Å; Q436-A438 VanDerWaalsContact C-N 3.28Å; Q436-A438 PolarHBondContact O-N 3.2Å; A438-A442 WeakPolarHBondContact O-CB 3.42Å; A438-A442 PolarHBondContact O-N 3.18Å |
| 439 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.2 | -74.7 | -90.2 | 0 | 0 | 0 | 112.4 | Y190 L194 F415 Y419 L425 Y428 L429 M434 Q436 S437 L443 | Y190-F439 HydrophobicContact CD1-CD1 4.2Å; Y190-F439 AromaticContact CD1-CE1 3.97Å; Y190-F439 HydrophobicContact CD1-CE1 3.97Å; Y190-F439 HydrophobicContact CD2-CE1 4.21Å; Y190-F439 HydrophobicContact CE1-CE1 4.42Å; Y190-F439 AromaticContact CG-CE1 3.86Å; Y190-F439 HydrophobicContact CG-CE1 3.86Å; L194-F439 HydrophobicContact CD1-CE1 4.01Å; L194-F439 HydrophobicContact CD1-CZ 4.26Å; F415-F439 AromaticContact CE2-CD1 3.98Å; F415-F439 HydrophobicContact CE2-CD1 3.98Å; F415-F439 HydrophobicContact CZ-CB 4.11Å; F415-F439 AromaticContact CZ-CD1 3.81Å; F415-F439 HydrophobicContact CZ-CD1 3.81Å; F415-F439 HydrophobicContact CZ-CG 4.48Å; Y419-F439 HydrophobicContact CD2-CB 4.39Å; Y419-F439 HydrophobicContact CD2-CD1 4.41Å; Y419-F439 HydrophobicContact CE2-CB 3.74Å; Y419-F439 HydrophobicContact CE2-CD1 4.37Å; Y419-F439 HydrophobicContact CE2-CG 4.06Å; L425-F439 HydrophobicContact CD1-CD1 4.19Å; L425-F439 HydrophobicContact CD1-CD2 3.81Å; L425-F439 HydrophobicContact CD1-CE1 3.92Å; L425-F439 HydrophobicContact CD1-CE2 3.5Å; L425-F439 VanDerWaalsContact CD1-CE2 3.5Å; L425-F439 HydrophobicContact CD1-CG 4.14Å; L425-F439 HydrophobicContact CD1-CZ 3.57Å; Y428-F439 AromaticContact CD1-CZ 3.85Å; Y428-F439 HydrophobicContact CD1-CZ 3.85Å; Y428-F439 HydrophobicContact CD2-CZ 4.14Å; Y428-F439 HydrophobicContact CG-CE1 4.46Å; Y428-F439 HydrophobicContact CG-CE2 4.45Å; Y428-F439 AromaticContact CG-CZ 3.59Å; Y428-F439 HydrophobicContact CG-CZ 3.59Å; L429-F439 HydrophobicContact CD2-CE2 4.46Å; M434-F439 HydrophobicContact CE-CD2 3.53Å; M434-F439 HydrophobicContact CE-CE1 4.49Å; M434-F439 HydrophobicContact CE-CE2 3.14Å; M434-F439 HydrophobicContact CE-CG 4.36Å; M434-F439 HydrophobicContact CE-CZ 3.69Å; M434-F439 HydrophobicContact CG-CE2 4.41Å; Q436-F439 PolarHBondContact O-N 2.9Å; S437-F439 VanDerWaalsContact C-N 3.29Å; S437-F439 PolarHBondContact O-N 3.42Å; F439-L443 WeakPolarHBondContact O-CB 3.31Å; F439-L443 PolarHBondContact O-N 2.71Å |
| 440 | S | 96.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.9 | -38.5 | -177.5 | -51 | 0 | 0 | 0 | 0 | 110.5 | Y419 Q436 S437 S444 | Y419-S440 PolarHBondContact OH-OG 2.91Å; Q436-S440 PolarHBondContact O-OG 3.4Å; S437-S440 WeakPolarHBondContact O-CA 3.39Å; S437-S440 WeakPolarHBondContact O-CB 3.4Å; S437-S440 PolarHBondContact O-N 2.82Å; S440-S444 WeakPolarHBondContact O-CB 3.42Å; S440-S444 PolarHBondContact O-N 2.98Å |
| 441 | E | 97.6 | Very high | 96.6 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 173 | -71.5 | 172 | -164.6 | 0 | 0 | 112.1 | R197 S437 L443 S444 S445 | R197-E441 IonicContact CZ-OE2 2.71Å; R197-E441 IonicContact NH1-OE2 3.3Å; R197-E441 PolarHBondContact NH1-OE2 3.33Å; R197-E441 IonicContact NH2-OE2 2.81Å; R197-E441 PolarHBondContact NH2-OE2 2.75Å; R197-E441 VanDerWaalsContact NH2-OE2 3.13Å; S437-E441 WeakPolarHBondContact O-CG 3.22Å; S437-E441 PolarHBondContact O-N 3.09Å; E441-L443 VanDerWaalsContact C-N 3.33Å; E441-L443 PolarHBondContact O-N 3.2Å; E441-S444 WeakPolarHBondContact O-CB 3.48Å; E441-S444 PolarHBondContact O-N 3.13Å; E441-S444 VanDerWaalsContact O-N 3.14Å; E441-S445 PolarHBondContact O-N 3.1Å |
| 442 | A | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V193 L194 R197 A438 S444 S445 L446 | V193-A442 HydrophobicContact CG1-CB 3.93Å; L194-A442 HydrophobicContact CD2-CB 3.93Å; R197-A442 HydrophobicContact CB-CB 4.18Å; A438-A442 WeakPolarHBondContact O-CB 3.42Å; A438-A442 PolarHBondContact O-N 3.18Å; A442-S444 VanDerWaalsContact C-N 3.34Å; A442-S444 PolarHBondContact O-N 3.44Å; A442-S445 PolarHBondContact O-N 2.81Å; A442-L446 PolarHBondContact O-N 2.96Å |
| 443 | L | 98 | Very high | 96.6 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 173.7 | -178.9 | 62.2 | 0 | 0 | 0 | 112.2 | R412 F415 F439 E441 S447 | R412-L443 HydrophobicContact CG-CD1 3.6Å; F415-L443 HydrophobicContact CD1-CB 4.44Å; F415-L443 HydrophobicContact CD1-CD1 3.82Å; F415-L443 HydrophobicContact CD1-CD2 4.24Å; F415-L443 HydrophobicContact CD1-CG 4.39Å; F415-L443 HydrophobicContact CE1-CB 3.89Å; F415-L443 HydrophobicContact CE1-CD1 4.11Å; F415-L443 HydrophobicContact CE1-CD2 3.96Å; F415-L443 HydrophobicContact CE1-CG 4.2Å; F415-L443 HydrophobicContact CZ-CB 4.35Å; F439-L443 WeakPolarHBondContact O-CB 3.31Å; F439-L443 PolarHBondContact O-N 2.71Å; E441-L443 VanDerWaalsContact C-N 3.33Å; E441-L443 PolarHBondContact O-N 3.2Å; L443-S447 WeakPolarHBondContact O-CB 3.31Å; L443-S447 PolarHBondContact O-N 3.4Å; L443-S447 PolarHBondContact O-OG 3.2Å |
| 444 | S | 98.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 176.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | S440 E441 A442 L446 S447 A448 | S440-S444 WeakPolarHBondContact O-CB 3.42Å; S440-S444 PolarHBondContact O-N 2.98Å; E441-S444 WeakPolarHBondContact O-CB 3.48Å; E441-S444 PolarHBondContact O-N 3.13Å; E441-S444 VanDerWaalsContact O-N 3.14Å; A442-S444 VanDerWaalsContact C-N 3.34Å; A442-S444 PolarHBondContact O-N 3.44Å; S444-L446 PolarHBondContact O-N 2.74Å; S444-S447 PolarHBondContact O-N 3.33Å; S444-A448 WeakPolarHBondContact O-CB 2.96Å; S444-A448 PolarHBondContact O-N 3.46Å |
| 445 | S | 98 | Very high | 96.5 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | R294 E441 A442 S447 A448 L449 | R294-S445 PolarHBondContact NH2-O 3.48Å; R294-S445 PolarHBondContact NH2-OG 3.34Å; E441-S445 PolarHBondContact O-N 3.1Å; A442-S445 PolarHBondContact O-N 2.81Å; S445-S447 PolarHBondContact O-N 2.97Å; S445-A448 PolarHBondContact O-N 3.13Å; S445-L449 PolarHBondContact O-N 3.28Å |
| 446 | L | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.5 | 177.5 | 55.8 | 0 | 0 | 0 | 112.1 | V193 M196 F408 L411 R412 A442 S444 L449 I450 | V193-L446 HydrophobicContact CG1-CD2 4.24Å; V193-L446 HydrophobicContact CG2-CD2 3.73Å; M196-L446 HydrophobicContact CE-CD1 3.67Å; M196-L446 HydrophobicContact SD-CD1 3.56Å; M196-L446 VanDerWaalsContact SD-CD1 3.56Å; F408-L446 HydrophobicContact CB-CD1 3.99Å; F408-L446 HydrophobicContact CG-CD1 4.33Å; L411-L446 HydrophobicContact CG-CD2 4.44Å; R412-L446 HydrophobicContact CB-CD2 3.83Å; R412-L446 HydrophobicContact CB-CG 4.37Å; R412-L446 HydrophobicContact CG-CD2 4.45Å; A442-L446 PolarHBondContact O-N 2.96Å; S444-L446 PolarHBondContact O-N 2.74Å; L446-L449 PolarHBondContact O-N 2.82Å; L446-I450 HydrophobicContact CD1-CD1 4.11Å; L446-I450 HydrophobicContact CD1-CG1 4.32Å; L446-I450 HydrophobicContact CG-CD1 4.02Å; L446-I450 VanDerWaalsContact O-CG1 3.31Å; L446-I450 WeakPolarHBondContact O-CG1 3.46Å; L446-I450 PolarHBondContact O-N 2.91Å |
| 447 | S | 98.2 | Very high | 95.9 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L443 S444 S445 L449 I450 E451 | L443-S447 WeakPolarHBondContact O-CB 3.31Å; L443-S447 PolarHBondContact O-N 3.4Å; L443-S447 PolarHBondContact O-OG 3.2Å; S444-S447 PolarHBondContact O-N 3.33Å; S445-S447 PolarHBondContact O-N 2.97Å; S447-L449 VanDerWaalsContact C-N 3.34Å; S447-L449 PolarHBondContact O-N 3.17Å; S447-I450 PolarHBondContact O-N 3.04Å; S447-E451 WeakPolarHBondContact O-CG 3.12Å; S447-E451 PolarHBondContact O-N 3.5Å |
| 448 | A | 97.7 | Very high | 95.3 | Very high | 39 Ų | 39 | 43 Ų | 43 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S444 S445 E451 E452 | S444-A448 WeakPolarHBondContact O-CB 2.96Å; S444-A448 PolarHBondContact O-N 3.46Å; S445-A448 PolarHBondContact O-N 3.13Å; A448-E451 PolarHBondContact O-N 3.01Å; A448-E452 WeakPolarHBondContact O-CG 3.28Å; A448-E452 PolarHBondContact O-N 2.64Å |
| 449 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.3 | -176.5 | 68 | 0 | 0 | 0 | 112 | M196 R294 L295 Y297 F408 S445 L446 S447 E451 E452 Y453 | M196-L449 HydrophobicContact CE-CD2 3.45Å; M196-L449 VanDerWaalsContact CE-CD2 3.45Å; R294-L449 HydrophobicContact CB-CD1 4.37Å; R294-L449 WeakPolarHBondContact O-CD1 3.5Å; L295-L449 HydrophobicContact CD2-CD1 3.54Å; Y297-L449 HydrophobicContact CD2-CD2 4.29Å; Y297-L449 HydrophobicContact CE2-CD2 3.64Å; F408-L449 HydrophobicContact CD2-CD2 4.02Å; F408-L449 HydrophobicContact CD2-CG 4.47Å; F408-L449 HydrophobicContact CE2-CD2 3.74Å; F408-L449 HydrophobicContact CE2-CG 4.37Å; S445-L449 PolarHBondContact O-N 3.28Å; L446-L449 PolarHBondContact O-N 2.82Å; S447-L449 VanDerWaalsContact C-N 3.34Å; S447-L449 PolarHBondContact O-N 3.17Å; L449-E451 VanDerWaalsContact C-N 3.32Å; L449-E451 PolarHBondContact O-N 3.23Å; L449-E452 PolarHBondContact O-N 3.31Å; L449-Y453 HydrophobicContact CD1-CD2 4.26Å; L449-Y453 HydrophobicContact CD1-CE2 3.87Å; L449-Y453 HydrophobicContact CG-CD2 4.16Å; L449-Y453 HydrophobicContact CG-CE2 4.02Å; L449-Y453 WeakPolarHBondContact O-CD2 3.4Å; L449-Y453 PolarHBondContact O-N 2.97Å; L449-Y453 VanDerWaalsContact O-N 3.13Å |
| 450 | I | 97.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175 | -70.9 | 163.3 | 0 | 0 | 0 | 110.7 | K405 F408 M409 R412 L446 S447 Y453 H454 | K405-I450 HydrophobicContact CG-CG2 4.27Å; F408-I450 HydrophobicContact CB-CD1 3.99Å; F408-I450 HydrophobicContact CB-CG1 3.68Å; M409-I450 HydrophobicContact CG-CD1 4.15Å; M409-I450 HydrophobicContact CG-CG1 4.45Å; M409-I450 HydrophobicContact CG-CG2 3.8Å; M409-I450 HydrophobicContact SD-CG2 4.44Å; R412-I450 HydrophobicContact CB-CD1 4.14Å; L446-I450 HydrophobicContact CD1-CD1 4.11Å; L446-I450 HydrophobicContact CD1-CG1 4.32Å; L446-I450 HydrophobicContact CG-CD1 4.02Å; L446-I450 VanDerWaalsContact O-CG1 3.31Å; L446-I450 WeakPolarHBondContact O-CG1 3.46Å; L446-I450 PolarHBondContact O-N 2.91Å; S447-I450 PolarHBondContact O-N 3.04Å; I450-Y453 PolarHBondContact O-N 3.04Å; I450-H454 VanDerWaalsContact O-CB 3.29Å; I450-H454 WeakPolarHBondContact O-CB 3.5Å; I450-H454 PolarHBondContact O-N 3.29Å |
| 451 | E | 96.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 178.3 | -71.9 | -55.3 | 144.9 | 0 | 0 | 112.7 | S447 A448 L449 H454 H455 | S447-E451 WeakPolarHBondContact O-CG 3.12Å; S447-E451 PolarHBondContact O-N 3.5Å; A448-E451 PolarHBondContact O-N 3.01Å; L449-E451 VanDerWaalsContact C-N 3.32Å; L449-E451 PolarHBondContact O-N 3.23Å; E451-H454 WeakPolarHBondContact O-CB 3.33Å; E451-H454 PolarHBondContact O-N 3.02Å; E451-H454 IonicContact OE2-ND1 2.86Å; E451-H455 WeakPolarHBondContact O-CB 3.32Å; E451-H455 PolarHBondContact O-N 3.31Å |
| 452 | E | 95.4 | Very high | 89.5 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 174.2 | -74.9 | 174.6 | -173 | 0 | 0 | 111.7 | R294 L295 A448 L449 H454 H455 L456 | R294-E452 IonicContact CZ-OE1 2.84Å; R294-E452 IonicContact CZ-OE2 2.67Å; R294-E452 IonicContact NH1-OE1 2.93Å; R294-E452 PolarHBondContact NH1-OE1 3.1Å; R294-E452 IonicContact NH1-OE2 3.13Å; R294-E452 PolarHBondContact NH1-OE2 3.45Å; L295-E452 HydrophobicContact CD2-CB 3.98Å; L295-E452 WeakPolarHBondContact CD2-OE2 3.47Å; A448-E452 WeakPolarHBondContact O-CG 3.28Å; A448-E452 PolarHBondContact O-N 2.64Å; L449-E452 PolarHBondContact O-N 3.31Å; E452-H454 VanDerWaalsContact C-N 3.31Å; E452-H454 PolarHBondContact O-N 3.02Å; E452-H455 PolarHBondContact O-N 3.35Å; E452-L456 PolarHBondContact O-N 3.17Å |
| 453 | Y | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 173.7 | -80.9 | -66.3 | 0 | 0 | 0 | 112.3 | L295 T402 V404 F408 L449 I450 L456 D457 | L295-Y453 HydrophobicContact CB-CE1 4.26Å; L295-Y453 HydrophobicContact CD1-CE1 4.49Å; L295-Y453 HydrophobicContact CD2-CD1 4.43Å; L295-Y453 HydrophobicContact CD2-CD2 3.95Å; L295-Y453 HydrophobicContact CD2-CE1 4.18Å; L295-Y453 HydrophobicContact CD2-CE2 3.64Å; L295-Y453 HydrophobicContact CD2-CG 4.33Å; T402-Y453 HydrophobicContact CG2-CD1 4.2Å; V404-Y453 HydrophobicContact CG2-CD1 4.17Å; V404-Y453 HydrophobicContact CG2-CD2 3.95Å; V404-Y453 HydrophobicContact CG2-CE1 3.87Å; V404-Y453 HydrophobicContact CG2-CE2 3.64Å; V404-Y453 HydrophobicContact CG2-CG 4.21Å; F408-Y453 HydrophobicContact CD2-CD2 4.48Å; F408-Y453 HydrophobicContact CD2-CE2 4.48Å; F408-Y453 HydrophobicContact CE2-CD2 4.32Å; F408-Y453 AromaticContact CE2-CE2 3.88Å; F408-Y453 HydrophobicContact CE2-CE2 3.88Å; L449-Y453 HydrophobicContact CD1-CD2 4.26Å; L449-Y453 HydrophobicContact CD1-CE2 3.87Å; L449-Y453 HydrophobicContact CG-CD2 4.16Å; L449-Y453 HydrophobicContact CG-CE2 4.02Å; L449-Y453 WeakPolarHBondContact O-CD2 3.4Å; L449-Y453 PolarHBondContact O-N 2.97Å; L449-Y453 VanDerWaalsContact O-N 3.13Å; I450-Y453 PolarHBondContact O-N 3.04Å; Y453-L456 PolarHBondContact O-N 2.88Å; Y453-D457 WeakPolarHBondContact O-CB 3.29Å; Y453-D457 PolarHBondContact O-N 3.12Å |
| 454 | H | 93.6 | Very high | 85.5 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 176.6 | 175.4 | -107 | 0 | 0 | 0 | 112 | K405 I450 E451 E452 L456 D457 A458 | K405-H454 HydrophobicContact CD-CB 4.14Å; I450-H454 VanDerWaalsContact O-CB 3.29Å; I450-H454 WeakPolarHBondContact O-CB 3.5Å; I450-H454 PolarHBondContact O-N 3.29Å; E451-H454 WeakPolarHBondContact O-CB 3.33Å; E451-H454 PolarHBondContact O-N 3.02Å; E451-H454 IonicContact OE2-ND1 2.86Å; E452-H454 VanDerWaalsContact C-N 3.31Å; E452-H454 PolarHBondContact O-N 3.02Å; H454-L456 VanDerWaalsContact C-N 3.33Å; H454-L456 PolarHBondContact O-N 3.21Å; H454-D457 PolarHBondContact O-N 3.32Å; H454-A458 PolarHBondContact O-N 3.2Å |
| 455 | H | 91.8 | Very high | 83 | Confident | 133 Ų | 133 | 61 Ų | 61 | 62% | 0.616 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 177 | -172.5 | 68.8 | 0 | 0 | 0 | 111.6 | E451 E452 A458 T459 | E451-H455 WeakPolarHBondContact O-CB 3.32Å; E451-H455 PolarHBondContact O-N 3.31Å; E452-H455 PolarHBondContact O-N 3.35Å; H455-A458 PolarHBondContact O-N 3.1Å; H455-T459 PolarHBondContact O-N 3Å |
| 456 | L | 90.4 | Very high | 80.3 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 174.1 | -69.2 | 175.1 | 0 | 0 | 0 | 111.7 | F292 L295 L341 L343 T402 E452 Y453 H454 A458 T459 | F292-L456 HydrophobicContact CE2-CD2 4.48Å; L295-L456 HydrophobicContact CD1-CD1 3.44Å; L295-L456 VanDerWaalsContact CD1-CD1 3.44Å; L341-L456 VanDerWaalsContact CD2-O 3.3Å; L341-L456 WeakPolarHBondContact CD2-O 3.34Å; L343-L456 HydrophobicContact CD1-CD1 4.07Å; L343-L456 HydrophobicContact CD2-CD1 3.84Å; L343-L456 HydrophobicContact CG-CD1 4.22Å; T402-L456 HydrophobicContact CG2-CB 4.04Å; E452-L456 PolarHBondContact O-N 3.17Å; Y453-L456 PolarHBondContact O-N 2.88Å; H454-L456 VanDerWaalsContact C-N 3.33Å; H454-L456 PolarHBondContact O-N 3.21Å; L456-A458 VanDerWaalsContact C-N 3.28Å; L456-A458 PolarHBondContact O-N 2.77Å; L456-T459 WeakPolarHBondContact O-CB 3.49Å; L456-T459 PolarHBondContact O-N 2.71Å; L456-T459 PolarHBondContact O-OG1 2.82Å |
| 457 | D | 86.2 | Confident | 77.6 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 179.7 | -157.1 | 38.3 | 0 | 0 | 0 | 112.2 | T402 K405 Y453 H454 T459 K460 | T402-D457 HydrophobicContact CG2-CB 4.26Å; T402-D457 PolarHBondContact OG1-OD1 3.24Å; T402-D457 VanDerWaalsContact OG1-OD1 3.11Å; K405-D457 IonicContact NZ-OD2 3.89Å; K405-D457 PolarHBondContact NZ-OD2 2.86Å; Y453-D457 WeakPolarHBondContact O-CB 3.29Å; Y453-D457 PolarHBondContact O-N 3.12Å; H454-D457 PolarHBondContact O-N 3.32Å; D457-T459 PolarHBondContact O-N 3.26Å; D457-K460 WeakPolarHBondContact O-CB 3.17Å; D457-K460 PolarHBondContact O-N 3.24Å |
| 458 | A | 84.4 | Confident | 75 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.4 | -27.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H454 H455 L456 K460 | H454-A458 PolarHBondContact O-N 3.2Å; H455-A458 PolarHBondContact O-N 3.1Å; L456-A458 VanDerWaalsContact C-N 3.28Å; L456-A458 PolarHBondContact O-N 2.77Å; A458-K460 PolarHBondContact O-N 2.91Å |
| 459 | T | 76.6 | Confident | 72.6 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 22% | 0.221 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.5 | -21.1 | 173.8 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | H455 L456 D457 A461 R462 | H455-T459 PolarHBondContact O-N 3Å; L456-T459 WeakPolarHBondContact O-CB 3.49Å; L456-T459 PolarHBondContact O-N 2.71Å; L456-T459 PolarHBondContact O-OG1 2.82Å; D457-T459 PolarHBondContact O-N 3.26Å; T459-A461 PolarHBondContact O-N 2.91Å; T459-R462 WeakPolarHBondContact O-CB 3.25Å; T459-R462 PolarHBondContact O-N 3.3Å |
| 460 | K | 72 | Confident | 70 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 21% | 0.213 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -57.7 | -36.7 | 176.8 | -172 | -173.5 | 172.6 | -163.6 | 0 | 112.7 | H339 L341 D457 A458 R462 L463 I464 | H339-K460 PolarHBondContact O-NZ 2.84Å; L341-K460 HydrophobicContact CD1-CB 4.34Å; L341-K460 HydrophobicContact CD1-CG 4.28Å; D457-K460 WeakPolarHBondContact O-CB 3.17Å; D457-K460 PolarHBondContact O-N 3.24Å; A458-K460 PolarHBondContact O-N 2.91Å; K460-R462 PolarHBondContact O-N 2.74Å; K460-L463 WeakPolarHBondContact O-CB 3.15Å; K460-L463 PolarHBondContact O-N 3.3Å; K460-I464 PolarHBondContact O-N 2.91Å |
| 461 | A | 59.2 | Low | 67.4 | Low | 78 Ų | 78 | 97.5 Ų | 97.5 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -61.3 | -24.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T459 | T459-A461 PolarHBondContact O-N 2.91Š|
| 462 | R | 57.9 | Low | 64.9 | Low | 219 Ų | 219 | 100 Ų | 100 | 83% | 0.826 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -85.6 | -14 | 176.2 | -55.9 | 179.9 | -178.2 | 174.3 | 0.2 | 113.3 | T459 K460 | T459-R462 WeakPolarHBondContact O-CB 3.25Å; T459-R462 PolarHBondContact O-N 3.3Å; K460-R462 PolarHBondContact O-N 2.74Å |
| 463 | L | 57.6 | Low | 62.6 | Low | 59 Ų | 59 | 101 Ų | 101 | 31% | 0.309 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -23.2 | -178.6 | -74 | 171.8 | 0 | 0 | 0 | 113.1 | L341 F371 K460 P465 | L341-L463 HydrophobicContact CD1-CD1 3.63Å; F371-L463 WeakPolarHBondContact O-CD1 3.34Å; K460-L463 WeakPolarHBondContact O-CB 3.15Å; K460-L463 PolarHBondContact O-N 3.3Å; L463-P465 VanDerWaalsContact O-CD 3.24Å; L463-P465 WeakPolarHBondContact O-CD 3.03Å |
| 464 | I | 53.9 | Low | 60.3 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 57% | 0.569 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -78 | 111.6 | 171.1 | -55.4 | 173.6 | 0 | 0 | 0 | 105.7 | K460 D466 | K460-I464 PolarHBondContact O-N 2.91Å; I464-D466 PolarHBondContact O-N 3.4Å; I464-D466 VanDerWaalsContact O-N 3.13Å |
| 465 | P | 46.3 | Very low | 58.7 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 70% | 0.695 | 62% | 0.622 | S | S | * | * | trans | -60.8 | 124.4 | 168.8 | -9.9 | 25.5 | 0 | 0 | 0 | 105.9 | L463 A467 | L463-P465 VanDerWaalsContact O-CD 3.24Å; L463-P465 WeakPolarHBondContact O-CD 3.03Å; P465-A467 PolarHBondContact O-N 2.86Å | ||
| 466 | D | 42.3 | Very low | 56.9 | Low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 62% | 0.622 | S | S | * | * | trans | -58.3 | 87.4 | 155.7 | -87.4 | -34.4 | 0 | 0 | 0 | 105.9 | I464 P468 | I464-D466 PolarHBondContact O-N 3.4Å; I464-D466 VanDerWaalsContact O-N 3.13Å; D466-P468 WeakPolarHBondContact O-CD 3.35Å; D466-P468 VanDerWaalsContact O-N 3.09Å | ||
| 467 | A | 40.5 | Very low | 55.1 | Low | 76 Ų | 76 | 122.1 Ų | 122.1 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | trans | -61.3 | 115.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | P465 R469 | P465-A467 PolarHBondContact O-N 2.86Å; A467-R469 PolarHBondContact O-N 3.19Å | ||
| 468 | P | 43.7 | Very low | 53.2 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | trans | -60 | 114.1 | 175.4 | 23.8 | -29.9 | 0 | 0 | 0 | 106 | D466 L470 | D466-P468 WeakPolarHBondContact O-CD 3.35Å; D466-P468 VanDerWaalsContact O-N 3.09Å; P468-L470 PolarHBondContact O-N 2.86Å | ||
| 469 | R | 46.3 | Very low | 51.3 | Low | 245 Ų | 245 | 131.8 Ų | 131.8 | 93% | 0.925 | 69% | 0.693 | S | S | * | * | trans | -58.1 | 108.7 | 168.3 | -72.8 | -177 | 177.8 | -176.8 | 0 | 105.4 | A467 S471 | A467-R469 PolarHBondContact O-N 3.19Å; R469-S471 PolarHBondContact O-N 3.07Å | ||
| 470 | L | 42.8 | Very low | 49.6 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -54 | 105.8 | 169.2 | -80.2 | 161.9 | 0 | 0 | 0 | 106.8 | P468 I472 | P468-L470 PolarHBondContact O-N 2.86Å; L470-I472 PolarHBondContact O-N 3.01Å; L470-I472 VanDerWaalsContact O-N 3.07Å | ||
| 471 | S | 43.4 | Very low | 48 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -64.9 | 109 | 167.6 | 54.4 | 0 | 0 | 0 | 0 | 106.1 | R469 A473 | R469-S471 PolarHBondContact O-N 3.07Å; S471-A473 PolarHBondContact O-N 3.46Å | ||
| 472 | I | 44.5 | Very low | 47.1 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -61.6 | 108 | 169.2 | -58.8 | 172.3 | 0 | 0 | 0 | 105.7 | L470 R474 | L470-I472 PolarHBondContact O-N 3.01Å; L470-I472 VanDerWaalsContact O-N 3.07Å; I472-R474 PolarHBondContact O-N 2.98Å | ||
| 473 | A | 46.9 | Very low | 46.3 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -62.5 | 131.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S471 | S471-A473 PolarHBondContact O-N 3.46Š| ||
| 474 | R | 46.7 | Very low | 45.2 | Very low | 320 Ų | 320 | 151.6 Ų | 151.6 | 100% | 1.208 | 81% | 0.807 | S | S | * | * | trans | -63.7 | 0 | 178.8 | -81.3 | -175.8 | 177.4 | 178.3 | -0.8 | 112.5 | I472 | I472-R474 PolarHBondContact O-N 2.98Š|
Retrieved 474 of 474 residues in 256.8 ms
(Link to these results)