| 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 | 96.3 | Very high | 95.1 | Very high | 75 Ų | 75 | 21.2 Ų | 21.2 | 37% | 0.369 | 11% | 0.105 | S | C | . | . | 0 | 151.7 | 0 | -71.9 | 177.5 | -69.6 | 0 | 0 | 110.1 | V3 K26 E106 A107 Q132 L134 | M1-V3 HydrophobicContact CB-CG2 4.49Å; M1-K26 PolarHBondContact O-N 3.12Å; M1-E106 WeakPolarHBondContact CA-OE2 3.19Å; M1-E106 HydrophobicContact CB-CB 4.04Å; M1-E106 HydrophobicContact CG-CB 4.07Å; M1-E106 HydrophobicContact SD-CB 4.39Å; M1-A107 HydrophobicContact CB-CB 4.21Å; M1-A107 HydrophobicContact CE-CB 4.13Å; M1-A107 HydrophobicContact SD-CB 3.93Å; M1-Q132 HydrophobicContact CE-CB 4.41Å; M1-Q132 HydrophobicContact CE-CG 4.17Å; M1-Q132 HydrophobicContact SD-CB 4.09Å; M1-Q132 HydrophobicContact SD-CG 4.44Å; M1-L134 HydrophobicContact CE-CD2 4.03Å | |||
| 2 | K | 98.1 | Very high | 95 | Very high | 95 Ų | 95 | 21.3 Ų | 21.3 | 41% | 0.413 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.2 | 162.7 | -69.7 | -178.3 | 176.5 | -177.6 | 0 | 109.7 | V28 E106 A107 | K2-V28 HydrophobicContact CB-CG1 4.11Å; K2-V28 HydrophobicContact CB-CG2 4.1Å; K2-V28 HydrophobicContact CD-CG1 4.44Å; K2-V28 HydrophobicContact CG-CG1 4.02Å; K2-E106 PolarHBondContact N-OE2 2.89Å; K2-E106 PolarHBondContact O-N 2.76Å; K2-A107 PolarHBondContact O-N 3.38Å |
| 3 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.5 | -170.6 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | M1 H25 K26 I27 V28 A107 L134 | M1-V3 HydrophobicContact CB-CG2 4.49Å; V3-H25 HydrophobicContact CG2-CB 3.68Å; V3-K26 PolarHBondContact N-O 3.19Å; V3-I27 HydrophobicContact CB-CD1 3.87Å; V3-I27 HydrophobicContact CG1-CD1 3.75Å; V3-I27 WeakPolarHBondContact O-CA 3.41Å; V3-V28 WeakPolarHBondContact O-CG2 3.41Å; V3-V28 PolarHBondContact O-N 3.3Å; V3-A107 WeakPolarHBondContact CA-O 3.1Å; V3-A107 HydrophobicContact CG2-CB 3.98Å; V3-L134 HydrophobicContact CG1-CD1 4.11Å; V3-L134 HydrophobicContact CG2-CD1 3.66Å |
| 4 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.3 | 157.6 | 65.6 | 0 | 0 | 0 | 0 | 109.2 | A29 A31 L96 V99 I105 A107 V108 S109 | V4-A29 WeakPolarHBondContact CA-O 3.44Å; V4-A29 HydrophobicContact CG2-CB 4.24Å; V4-A31 HydrophobicContact CG2-CB 3.52Å; V4-L96 HydrophobicContact CG1-CD2 3.66Å; V4-V99 HydrophobicContact CB-CG1 3.94Å; V4-V99 HydrophobicContact CG2-CG1 3.81Å; V4-V99 HydrophobicContact CG2-CG2 4.44Å; V4-I105 HydrophobicContact CB-CD1 3.84Å; V4-I105 HydrophobicContact CB-CG2 4.13Å; V4-I105 HydrophobicContact CG1-CD1 3.29Å; V4-A107 PolarHBondContact N-O 2.96Å; V4-A107 VanDerWaalsContact N-O 3.07Å; V4-V108 HydrophobicContact CG1-CB 4.27Å; V4-V108 HydrophobicContact CG1-CG1 4.16Å; V4-V108 HydrophobicContact CG1-CG2 3.88Å; V4-V108 WeakPolarHBondContact O-CA 3.4Å; V4-S109 PolarHBondContact O-N 2.84Å |
| 5 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I7 M17 I27 A29 L30 A31 | A5-I7 HydrophobicContact CB-CG2 4.01Å; A5-I7 PolarHBondContact O-N 2.99Å; A5-M17 HydrophobicContact CB-CG 3.44Å; A5-M17 VanDerWaalsContact CB-CG 3.44Å; A5-M17 HydrophobicContact CB-SD 3.29Å; A5-M17 WeakPolarHBondContact CB-SD 3.42Å; A5-I27 HydrophobicContact CB-CG2 4.14Å; A5-A29 PolarHBondContact N-O 3.01Å; A5-L30 HydrophobicContact CB-CD2 4.01Å; A5-A31 PolarHBondContact O-N 2.81Å |
| 6 | L | 96.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 16.7 Ų | 16.7 | 14% | 0.141 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.1 | 163.7 | -67.4 | 177.9 | 0 | 0 | 0 | 108 | S13 A31 L92 L96 V108 S109 V110 V122 | L6-S13 WeakPolarHBondContact O-CB 3.42Å; L6-A31 WeakPolarHBondContact CA-O 3.32Å; L6-A31 HydrophobicContact CD2-CB 3.92Å; L6-L92 HydrophobicContact CD1-CD1 4.02Å; L6-L92 HydrophobicContact CD2-CD1 3.72Å; L6-L96 HydrophobicContact CD2-CD2 4.04Å; L6-V108 HydrophobicContact CD1-CG1 3.68Å; L6-V108 HydrophobicContact CG-CG1 3.7Å; L6-S109 WeakPolarHBondContact CB-O 3.47Å; L6-S109 PolarHBondContact N-O 3.06Å; L6-V110 HydrophobicContact CD1-CG2 4.28Å; L6-V122 HydrophobicContact CD1-CG1 4.19Å; L6-V122 HydrophobicContact CD1-CG2 4.25Å |
| 7 | I | 94.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 4% | 0.036 | 8% | 0.079 | C | C | . | . | trans | -117.1 | 140.2 | -176.5 | 61.7 | 165.1 | 0 | 0 | 0 | 111.6 | A5 M17 L30 A31 N32 I54 Y57 L65 | A5-I7 HydrophobicContact CB-CG2 4.01Å; A5-I7 PolarHBondContact O-N 2.99Å; I7-M17 HydrophobicContact CG2-CE 4.02Å; I7-M17 HydrophobicContact CG2-SD 4.08Å; I7-L30 HydrophobicContact CD1-CB 3.85Å; I7-L30 HydrophobicContact CD1-CD1 3.98Å; I7-L30 HydrophobicContact CD1-CG 4.33Å; I7-L30 HydrophobicContact CG1-CB 4.32Å; I7-L30 HydrophobicContact CG2-CD2 4.15Å; I7-A31 PolarHBondContact N-O 3.29Å; I7-N32 HydrophobicContact CG1-CB 4.22Å; I7-N32 PolarHBondContact O-ND2 3.42Å; I7-I54 HydrophobicContact CD1-CG2 3.7Å; I7-I54 HydrophobicContact CG1-CG2 4.28Å; I7-Y57 HydrophobicContact CD1-CD1 3.9Å; I7-Y57 HydrophobicContact CD1-CG 4.28Å; I7-L65 HydrophobicContact CD1-CD1 4.17Å | ||
| 8 | S | 89.8 | Confident | 95.1 | Very high | 26 Ų | 26 | 15.1 Ų | 15.1 | 18% | 0.182 | 8% | 0.076 | C | C | . | . | trans | -116.4 | -5.5 | 171.7 | 67.1 | 0 | 0 | 0 | 0 | 113 | G10 Q47 I54 | S8-G10 PolarHBondContact OG-N 2.81Å; S8-G10 VanDerWaalsContact OG-N 3.15Å; S8-Q47 PolarHBondContact OG-OE1 2.9Å; S8-I54 VanDerWaalsContact C-CD1 3.41Å | ||
| 9 | G | 87.7 | Confident | 95 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 87.5 | -15.3 | -167 | 0 | 0 | 0 | 0 | 0 | 113 | I54 Y57 F204 T205 | G9-I54 VanDerWaalsContact N-CD1 3.3Å; G9-Y57 WeakPolarHBondContact CA-OH 3.46Å; G9-Y57 PolarHBondContact O-OH 3.44Å; G9-F204 CarbonylContact O-C 3.59Å; G9-F204 VanDerWaalsContact O-CA 3.28Å; G9-F204 WeakPolarHBondContact O-CA 2.73Å; G9-T205 PolarHBondContact O-N 3.15Å |
| 10 | G | 92.8 | Very high | 95 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -71.8 | 162.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S8 D12 S13 C14 T203 T205 | S8-G10 PolarHBondContact OG-N 2.81Å; S8-G10 VanDerWaalsContact OG-N 3.15Å; G10-D12 PolarHBondContact O-N 2.96Å; G10-S13 PolarHBondContact O-OG 3.29Å; G10-C14 PolarHBondContact O-N 2.98Å; G10-T203 VanDerWaalsContact CA-O 3.3Å; G10-T203 WeakPolarHBondContact CA-O 3.31Å; G10-T205 PolarHBondContact O-OG1 2.86Å |
| 11 | K | 94.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -53.9 | -37.9 | 174.9 | 74.8 | -166.6 | -176.4 | -50.7 | 0 | 112.5 | C14 Y15 M149 L154 A156 L176 C195 Y201 T203 | K11-C14 PolarHBondContact O-N 3.27Å; K11-Y15 WeakPolarHBondContact O-CB 3.45Å; K11-Y15 PolarHBondContact O-N 3Å; K11-M149 HydrophobicContact CB-SD 4.26Å; K11-M149 HydrophobicContact CD-SD 4.02Å; K11-M149 HydrophobicContact CG-CE 4.29Å; K11-M149 HydrophobicContact CG-SD 3.92Å; K11-L154 HydrophobicContact CB-CD2 3.86Å; K11-A156 HydrophobicContact CB-CB 4.2Å; K11-L176 HydrophobicContact CB-CD1 3.84Å; K11-L176 HydrophobicContact CD-CD1 3.65Å; K11-L176 HydrophobicContact CD-CD2 4.07Å; K11-L176 HydrophobicContact CD-CG 4.49Å; K11-L176 HydrophobicContact CG-CD1 4.31Å; K11-C195 WeakPolarHBondContact CE-O 3.5Å; K11-C195 PolarHBondContact NZ-O 2.92Å; K11-Y201 HydrophobicContact CD-CE2 4.49Å; K11-T203 WeakPolarHBondContact CB-OG1 2.9Å; K11-T203 HydrophobicContact CD-CG2 4.07Å; K11-T203 PolarHBondContact N-OG1 3.09Å |
| 12 | D | 94.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 15.6 Ų | 15.6 | 12% | 0.123 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.6 | -44.6 | -170.2 | -43.9 | -55 | 0 | 0 | 0 | 110.9 | G10 C14 Y15 N16 G111 I113 L137 | G10-D12 PolarHBondContact O-N 2.96Å; D12-C14 VanDerWaalsContact C-N 3.33Å; D12-C14 PolarHBondContact O-N 3.25Å; D12-Y15 PolarHBondContact O-N 2.81Å; D12-N16 WeakPolarHBondContact O-CB 3.39Å; D12-N16 PolarHBondContact O-N 3.17Å; D12-G111 WeakPolarHBondContact CB-O 3.14Å; D12-I113 HydrophobicContact CB-CD1 4.4Å; D12-I113 VanDerWaalsContact OD1-CD1 3.23Å; D12-I113 WeakPolarHBondContact OD1-CD1 3.42Å; D12-L137 HydrophobicContact CB-CD1 4.26Å; D12-L137 WeakPolarHBondContact O-CD1 3.4Å |
| 13 | S | 94.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 4% | 0.035 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 174 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | L6 G10 M17 | L6-S13 WeakPolarHBondContact O-CB 3.42Å; G10-S13 PolarHBondContact O-OG 3.29Å; S13-M17 WeakPolarHBondContact O-CG 3.35Å; S13-M17 PolarHBondContact O-N 3.08Å; S13-M17 VanDerWaalsContact O-N 3.16Å |
| 14 | C | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.7 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | G10 K11 D12 M17 M18 Y57 L154 T205 | G10-C14 PolarHBondContact O-N 2.98Å; K11-C14 PolarHBondContact O-N 3.27Å; D12-C14 VanDerWaalsContact C-N 3.33Å; D12-C14 PolarHBondContact O-N 3.25Å; C14-M17 HydrophobicContact CB-CE 4.41Å; C14-M17 WeakPolarHBondContact O-CB 3.32Å; C14-M17 PolarHBondContact O-N 3.37Å; C14-M18 WeakPolarHBondContact O-CG 3.4Å; C14-M18 PolarHBondContact O-N 3.27Å; C14-M18 VanDerWaalsContact O-N 3.13Å; C14-Y57 WeakPolarHBondContact SG-CE1 3.49Å; C14-L154 HydrophobicContact CB-CD1 4.01Å; C14-T205 HydrophobicContact CB-CG2 4.18Å; C14-T205 VanDerWaalsContact SG-CB 3.58Å; C14-T205 PolarHBondContact SG-OG1 3.28Å |
| 15 | Y | 95.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 2% | 0.024 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | -178.9 | -166 | -116.3 | 0 | 0 | 0 | 111.6 | K11 D12 M17 M18 Q19 L137 L145 E148 M149 L154 | K11-Y15 WeakPolarHBondContact O-CB 3.45Å; K11-Y15 PolarHBondContact O-N 3Å; D12-Y15 PolarHBondContact O-N 2.81Å; Y15-M17 VanDerWaalsContact C-N 3.3Å; Y15-M17 PolarHBondContact O-N 3.39Å; Y15-M18 HydrophobicContact CD2-CE 4.32Å; Y15-M18 HydrophobicContact CD2-SD 4.06Å; Y15-M18 HydrophobicContact CE2-CE 4.43Å; Y15-M18 WeakPolarHBondContact O-CA 3.48Å; Y15-M18 WeakPolarHBondContact O-CB 3.16Å; Y15-M18 PolarHBondContact O-N 3.39Å; Y15-M18 VanDerWaalsContact O-N 3.08Å; Y15-Q19 HydrophobicContact CD1-CG 4.39Å; Y15-Q19 HydrophobicContact CE1-CG 4.16Å; Y15-Q19 VanDerWaalsContact CZ-NE2 3.27Å; Y15-Q19 WeakPolarHBondContact O-CG 3.23Å; Y15-Q19 PolarHBondContact O-N 3.06Å; Y15-Q19 PolarHBondContact OH-NE2 3.47Å; Y15-Q19 VanDerWaalsContact OH-NE2 3.09Å; Y15-L137 HydrophobicContact CD1-CD1 4.1Å; Y15-L137 HydrophobicContact CD1-CD2 3.46Å; Y15-L137 VanDerWaalsContact CD1-CD2 3.46Å; Y15-L137 HydrophobicContact CD1-CG 4.44Å; Y15-L137 HydrophobicContact CE1-CD2 3.88Å; Y15-L145 HydrophobicContact CD1-CD1 3.75Å; Y15-L145 HydrophobicContact CE1-CD1 3.47Å; Y15-L145 VanDerWaalsContact CE1-CD1 3.47Å; Y15-E148 WeakPolarHBondContact OH-CB 3.38Å; Y15-E148 PolarHBondContact OH-OE2 3.36Å; Y15-M149 HydrophobicContact CD1-CE 3.83Å; Y15-M149 HydrophobicContact CD1-CG 3.75Å; Y15-M149 HydrophobicContact CD2-CB 4.35Å; Y15-M149 HydrophobicContact CD2-CG 3.75Å; Y15-M149 HydrophobicContact CE1-CG 4.21Å; Y15-M149 HydrophobicContact CE2-CG 4.18Å; Y15-M149 HydrophobicContact CG-CE 4.05Å; Y15-M149 HydrophobicContact CG-CG 3.53Å; Y15-L154 HydrophobicContact CD2-CD1 4.07Å; Y15-L154 HydrophobicContact CG-CD1 4.31Å |
| 16 | N | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -34.6 | 174.9 | -164.4 | 74 | 0 | 0 | 0 | 112.2 | D12 M18 Q19 C20 S109 V110 L134 Y136 L137 | D12-N16 WeakPolarHBondContact O-CB 3.39Å; D12-N16 PolarHBondContact O-N 3.17Å; N16-M18 VanDerWaalsContact C-N 3.33Å; N16-M18 PolarHBondContact O-N 2.87Å; N16-Q19 PolarHBondContact O-N 3Å; N16-C20 PolarHBondContact O-N 3.4Å; N16-C20 PolarHBondContact O-SG 3.4Å; N16-S109 PolarHBondContact ND2-OG 3.43Å; N16-V110 PolarHBondContact ND2-N 2.92Å; N16-V110 PolarHBondContact ND2-O 3.4Å; N16-V110 VanDerWaalsContact ND2-O 3.16Å; N16-V110 PolarHBondContact OD1-O 2.83Å; N16-L134 PolarHBondContact ND2-O 2.99Å; N16-Y136 WeakPolarHBondContact OD1-CB 3.26Å; N16-Y136 PolarHBondContact OD1-N 2.86Å; N16-L137 HydrophobicContact CB-CD1 4.1Å; N16-L137 HydrophobicContact CB-CD2 4.5Å; N16-L137 HydrophobicContact CB-CG 4.04Å |
| 17 | M | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 170.1 | -72.1 | -170.3 | -70.3 | 0 | 0 | 111.7 | A5 I7 S13 C14 Y15 Q19 C20 V21 I27 L30 M61 L210 | A5-M17 HydrophobicContact CB-CG 3.44Å; A5-M17 VanDerWaalsContact CB-CG 3.44Å; A5-M17 HydrophobicContact CB-SD 3.29Å; A5-M17 WeakPolarHBondContact CB-SD 3.42Å; I7-M17 HydrophobicContact CG2-CE 4.02Å; I7-M17 HydrophobicContact CG2-SD 4.08Å; S13-M17 WeakPolarHBondContact O-CG 3.35Å; S13-M17 PolarHBondContact O-N 3.08Å; S13-M17 VanDerWaalsContact O-N 3.16Å; C14-M17 HydrophobicContact CB-CE 4.41Å; C14-M17 WeakPolarHBondContact O-CB 3.32Å; C14-M17 PolarHBondContact O-N 3.37Å; Y15-M17 VanDerWaalsContact C-N 3.3Å; Y15-M17 PolarHBondContact O-N 3.39Å; M17-Q19 VanDerWaalsContact C-N 3.3Å; M17-Q19 PolarHBondContact O-N 3.46Å; M17-C20 WeakPolarHBondContact O-CB 3.35Å; M17-C20 PolarHBondContact O-N 3.06Å; M17-V21 WeakPolarHBondContact O-CG2 3.27Å; M17-V21 PolarHBondContact O-N 3.46Å; M17-I27 HydrophobicContact CG-CD1 4.5Å; M17-L30 HydrophobicContact SD-CD2 3.98Å; M17-M61 HydrophobicContact CE-CE 4.35Å; M17-M61 HydrophobicContact CE-SD 3.96Å; M17-M61 HydrophobicContact SD-CE 3.95Å; M17-M61 HydrophobicContact SD-SD 4.06Å; M17-L210 HydrophobicContact CB-CD1 3.59Å |
| 18 | M | 94.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.1 | -66.1 | 167.6 | 61.5 | 0 | 0 | 111.1 | C14 Y15 N16 V21 A22 S152 L154 C208 P209 L210 L255 | C14-M18 WeakPolarHBondContact O-CG 3.4Å; C14-M18 PolarHBondContact O-N 3.27Å; C14-M18 VanDerWaalsContact O-N 3.13Å; Y15-M18 HydrophobicContact CD2-CE 4.32Å; Y15-M18 HydrophobicContact CD2-SD 4.06Å; Y15-M18 HydrophobicContact CE2-CE 4.43Å; Y15-M18 WeakPolarHBondContact O-CA 3.48Å; Y15-M18 WeakPolarHBondContact O-CB 3.16Å; Y15-M18 PolarHBondContact O-N 3.39Å; Y15-M18 VanDerWaalsContact O-N 3.08Å; N16-M18 VanDerWaalsContact C-N 3.33Å; N16-M18 PolarHBondContact O-N 2.87Å; M18-V21 PolarHBondContact O-N 2.89Å; M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 3.26Å; M18-S152 WeakPolarHBondContact CE-O 3.19Å; M18-L154 HydrophobicContact SD-CD1 4.21Å; M18-C208 HydrophobicContact SD-CB 4.09Å; M18-P209 HydrophobicContact CE-CG 3.92Å; M18-L210 HydrophobicContact CB-CD1 4.47Å; M18-L210 HydrophobicContact CG-CD1 3.8Å; M18-L210 HydrophobicContact CG-CG 3.84Å; M18-L255 HydrophobicContact CB-CD2 4.17Å; M18-L255 HydrophobicContact CE-CD2 3.78Å; M18-L255 HydrophobicContact CG-CD2 4.11Å |
| 19 | Q | 93.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 174.8 | -64.3 | -59.3 | -48.6 | 0 | 0 | 112.3 | Y15 N16 M17 V21 A22 A23 Y136 L137 H428 | Y15-Q19 HydrophobicContact CD1-CG 4.39Å; Y15-Q19 HydrophobicContact CE1-CG 4.16Å; Y15-Q19 VanDerWaalsContact CZ-NE2 3.27Å; Y15-Q19 WeakPolarHBondContact O-CG 3.23Å; Y15-Q19 PolarHBondContact O-N 3.06Å; Y15-Q19 PolarHBondContact OH-NE2 3.47Å; Y15-Q19 VanDerWaalsContact OH-NE2 3.09Å; N16-Q19 PolarHBondContact O-N 3Å; M17-Q19 VanDerWaalsContact C-N 3.3Å; M17-Q19 PolarHBondContact O-N 3.46Å; Q19-V21 VanDerWaalsContact C-N 3.35Å; Q19-V21 PolarHBondContact O-N 3.09Å; Q19-A22 PolarHBondContact O-N 3.43Å; Q19-A23 WeakPolarHBondContact O-CB 3.35Å; Q19-A23 PolarHBondContact O-N 3.04Å; Q19-Y136 HydrophobicContact CB-CD2 3.74Å; Q19-Y136 HydrophobicContact CB-CG 3.78Å; Q19-L137 HydrophobicContact CG-CD2 3.95Å; Q19-H428 PolarHBondContact OE1-NE2 3.13Å |
| 20 | C | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.3 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | N16 M17 A23 G24 H25 I27 Y136 | N16-C20 PolarHBondContact O-N 3.4Å; N16-C20 PolarHBondContact O-SG 3.4Å; M17-C20 WeakPolarHBondContact O-CB 3.35Å; M17-C20 PolarHBondContact O-N 3.06Å; C20-A23 PolarHBondContact O-N 3.22Å; C20-G24 PolarHBondContact O-N 3.08Å; C20-H25 HydrophobicContact CB-CB 4.38Å; C20-H25 WeakPolarHBondContact O-CB 3.15Å; C20-H25 PolarHBondContact O-N 2.95Å; C20-I27 HydrophobicContact CB-CD1 3.94Å; C20-Y136 HydrophobicContact CB-CE2 4.38Å |
| 21 | V | 93.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.5 | 178 | 0 | 0 | 0 | 0 | 111.1 | M17 M18 Q19 A23 G24 I27 L210 L255 | M17-V21 WeakPolarHBondContact O-CG2 3.27Å; M17-V21 PolarHBondContact O-N 3.46Å; M18-V21 PolarHBondContact O-N 2.89Å; Q19-V21 VanDerWaalsContact C-N 3.35Å; Q19-V21 PolarHBondContact O-N 3.09Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 2.83Å; V21-G24 WeakPolarHBondContact O-CA 3.45Å; V21-G24 PolarHBondContact O-N 3.29Å; V21-I27 HydrophobicContact CG2-CG1 3.91Å; V21-L210 HydrophobicContact CB-CD2 4.16Å; V21-L210 HydrophobicContact CG1-CD2 4.27Å; V21-L210 HydrophobicContact CG2-CD1 4.34Å; V21-L210 HydrophobicContact CG2-CD2 3.84Å; V21-L255 HydrophobicContact CB-CD1 3.72Å; V21-L255 HydrophobicContact CG1-CD1 3.52Å |
| 22 | A | 89.1 | Confident | 95 | Very high | 54 Ų | 54 | 23.5 Ų | 23.5 | 45% | 0.446 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.4 | -33.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M18 Q19 G24 | M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 3.26Å; Q19-A22 PolarHBondContact O-N 3.43Å; A22-G24 PolarHBondContact O-N 2.77Å |
| 23 | A | 89.3 | Confident | 94.8 | Very high | 47 Ų | 47 | 22.9 Ų | 22.9 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 6.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q19 C20 V21 Y136 | Q19-A23 WeakPolarHBondContact O-CB 3.35Å; Q19-A23 PolarHBondContact O-N 3.04Å; C20-A23 PolarHBondContact O-N 3.22Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 2.83Å; A23-Y136 HydrophobicContact CB-CE1 4.38Å; A23-Y136 HydrophobicContact CB-CE2 4.42Å; A23-Y136 VanDerWaalsContact CB-OH 3.32Å; A23-Y136 WeakPolarHBondContact CB-OH 3.45Å |
| 24 | G | 91.4 | Very high | 94.5 | Very high | 64 Ų | 64 | 27 Ų | 27 | 66% | 0.66 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 17.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C20 V21 A22 | C20-G24 PolarHBondContact O-N 3.08Å; V21-G24 WeakPolarHBondContact O-CA 3.45Å; V21-G24 PolarHBondContact O-N 3.29Å; A22-G24 PolarHBondContact O-N 2.77Å |
| 25 | H | 94.4 | Very high | 94 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | trans | -88.4 | 156.9 | 173.6 | -53.9 | -31.8 | 0 | 0 | 0 | 112 | V3 C20 Y136 | V3-H25 HydrophobicContact CG2-CB 3.68Å; C20-H25 HydrophobicContact CB-CB 4.38Å; C20-H25 WeakPolarHBondContact O-CB 3.15Å; C20-H25 PolarHBondContact O-N 2.95Å; H25-Y136 PolarHBondContact NE2-OH 2.85Å; H25-Y136 VanDerWaalsContact NE2-OH 3.14Å | ||
| 26 | K | 96.9 | Very high | 93.1 | Very high | 145 Ų | 145 | 29.6 Ų | 29.6 | 63% | 0.63 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.8 | 178.8 | -175.3 | 179 | 179.2 | 179.9 | 0 | 109.5 | M1 V3 V28 | M1-K26 PolarHBondContact O-N 3.12Å; V3-K26 PolarHBondContact N-O 3.19Å; K26-V28 HydrophobicContact CD-CG1 4.19Å; K26-V28 HydrophobicContact CG-CG1 4.04Å; K26-V28 PolarHBondContact O-N 3.42Å |
| 27 | I | 97.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 123.7 | 168.5 | -47 | -54.4 | 0 | 0 | 0 | 107.9 | V3 A5 M17 C20 V21 L30 L63 | V3-I27 HydrophobicContact CB-CD1 3.87Å; V3-I27 HydrophobicContact CG1-CD1 3.75Å; V3-I27 WeakPolarHBondContact O-CA 3.41Å; A5-I27 HydrophobicContact CB-CG2 4.14Å; M17-I27 HydrophobicContact CG-CD1 4.5Å; C20-I27 HydrophobicContact CB-CD1 3.94Å; V21-I27 HydrophobicContact CG2-CG1 3.91Å; I27-L30 HydrophobicContact CG2-CD2 4.34Å; I27-L63 HydrophobicContact CB-CD1 4.24Å; I27-L63 HydrophobicContact CG2-CD1 3.74Å |
| 28 | V | 98.2 | Very high | 90.4 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -19.5 | -178.5 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | K2 V3 K26 P64 E103 I105 | K2-V28 HydrophobicContact CB-CG1 4.11Å; K2-V28 HydrophobicContact CB-CG2 4.1Å; K2-V28 HydrophobicContact CD-CG1 4.44Å; K2-V28 HydrophobicContact CG-CG1 4.02Å; V3-V28 WeakPolarHBondContact O-CG2 3.41Å; V3-V28 PolarHBondContact O-N 3.3Å; K26-V28 HydrophobicContact CD-CG1 4.19Å; K26-V28 HydrophobicContact CG-CG1 4.04Å; K26-V28 PolarHBondContact O-N 3.42Å; V28-P64 VanDerWaalsContact O-CD 3.28Å; V28-P64 WeakPolarHBondContact O-CD 3.28Å; V28-P64 VanDerWaalsContact O-CG 3.31Å; V28-P64 WeakPolarHBondContact O-CG 3.25Å; V28-E103 HydrophobicContact CG2-CB 4.25Å; V28-I105 HydrophobicContact CG2-CG2 3.68Å |
| 29 | A | 98.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 158.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V4 A5 P64 Y66 V99 E103 | V4-A29 WeakPolarHBondContact CA-O 3.44Å; V4-A29 HydrophobicContact CG2-CB 4.24Å; A5-A29 PolarHBondContact N-O 3.01Å; A29-P64 WeakPolarHBondContact CA-O 3.43Å; A29-P64 HydrophobicContact CB-CG 4.03Å; A29-Y66 HydrophobicContact CB-CD2 4.1Å; A29-Y66 HydrophobicContact CB-CE2 3.96Å; A29-V99 HydrophobicContact CB-CG1 3.96Å; A29-E103 HydrophobicContact CB-CG 3.96Å |
| 30 | L | 98.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.2 | 172.8 | -54.1 | 177.9 | 0 | 0 | 0 | 108.9 | A5 I7 M17 I27 M61 L63 P64 L65 Y66 | A5-L30 HydrophobicContact CB-CD2 4.01Å; I7-L30 HydrophobicContact CD1-CB 3.85Å; I7-L30 HydrophobicContact CD1-CD1 3.98Å; I7-L30 HydrophobicContact CD1-CG 4.33Å; I7-L30 HydrophobicContact CG1-CB 4.32Å; I7-L30 HydrophobicContact CG2-CD2 4.15Å; M17-L30 HydrophobicContact SD-CD2 3.98Å; I27-L30 HydrophobicContact CG2-CD2 4.34Å; L30-M61 HydrophobicContact CD1-SD 4.14Å; L30-M61 HydrophobicContact CD2-SD 3.91Å; L30-L63 HydrophobicContact CD1-CB 4.43Å; L30-L63 HydrophobicContact CD2-CD1 4.22Å; L30-L63 HydrophobicContact CG-CB 4.21Å; L30-L63 HydrophobicContact CG-CD1 4.43Å; L30-P64 PolarHBondContact N-O 3.48Å; L30-L65 HydrophobicContact CB-CD1 3.78Å; L30-L65 WeakPolarHBondContact O-CA 3.29Å; L30-Y66 PolarHBondContact O-N 3.5Å |
| 31 | A | 97.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | V4 A5 L6 I7 Y66 L95 V99 | V4-A31 HydrophobicContact CG2-CB 3.52Å; A5-A31 PolarHBondContact O-N 2.81Å; L6-A31 WeakPolarHBondContact CA-O 3.32Å; L6-A31 HydrophobicContact CD2-CB 3.92Å; I7-A31 PolarHBondContact N-O 3.29Å; A31-Y66 VanDerWaalsContact CA-O 3.32Å; A31-Y66 WeakPolarHBondContact CA-O 3.4Å; A31-L95 HydrophobicContact CB-CD2 4.04Å; A31-L95 HydrophobicContact CB-CG 4.24Å; A31-V99 HydrophobicContact CB-CG2 4.44Å |
| 32 | N | 95.6 | Very high | 84.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.2 | -179.5 | 172.2 | -111.2 | 0 | 0 | 0 | 110.8 | I7 I54 L65 Y66 R67 R68 | I7-N32 HydrophobicContact CG1-CB 4.22Å; I7-N32 PolarHBondContact O-ND2 3.42Å; N32-I54 HydrophobicContact CB-CG2 3.97Å; N32-L65 HydrophobicContact CB-CD1 4.4Å; N32-Y66 PolarHBondContact N-O 2.82Å; N32-R67 HydrophobicContact CB-CG 4.49Å; N32-R67 VanDerWaalsContact O-CA 3.29Å; N32-R67 WeakPolarHBondContact O-CA 3.44Å; N32-R67 PolarHBondContact OD1-NE 3.13Å; N32-R67 PolarHBondContact OD1-NH2 2.95Å; N32-R67 VanDerWaalsContact OD1-NH2 3.09Å; N32-R68 PolarHBondContact O-N 3.36Å; N32-R68 VanDerWaalsContact O-N 3.17Å |
| 33 | L | 91.4 | Very high | 82.9 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.2 | 163.8 | -76.4 | 169.8 | 0 | 0 | 0 | 108.9 | Y46 R68 I70 D91 L92 L95 | L33-Y46 HydrophobicContact CB-CD1 4.47Å; L33-Y46 HydrophobicContact CB-CE1 4.49Å; L33-Y46 HydrophobicContact CD1-CD1 4.35Å; L33-Y46 HydrophobicContact CD1-CD2 4.43Å; L33-Y46 HydrophobicContact CD1-CE1 3.6Å; L33-Y46 HydrophobicContact CD1-CE2 3.68Å; L33-Y46 VanDerWaalsContact CD1-OH 3.23Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.28Å; L33-R68 WeakPolarHBondContact CA-O 3.37Å; L33-R68 HydrophobicContact CD2-CB 3.85Å; L33-R68 HydrophobicContact CD2-CG 4.2Å; L33-I70 HydrophobicContact CB-CD1 4.09Å; L33-I70 HydrophobicContact CB-CG1 3.82Å; L33-I70 HydrophobicContact CD2-CG1 4.24Å; L33-I70 HydrophobicContact CG-CG1 4.45Å; L33-D91 HydrophobicContact CD2-CB 3.99Å; L33-L92 HydrophobicContact CD1-CB 3.82Å; L33-L92 HydrophobicContact CD1-CD1 4.21Å; L33-L95 HydrophobicContact CD2-CD2 4.13Å; L33-L95 HydrophobicContact CG-CD2 4Å |
| 34 | R | 87.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 56 Ų | 56 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.8 | -178.1 | 69.7 | 175.6 | 178.4 | -171.5 | 0.2 | 111.9 | R68 T69 I70 | R34-R68 PolarHBondContact N-O 3.03Å; R34-T69 PolarHBondContact NE-OG1 3.5Å; R34-T69 CarbonylContact O-C 3.47Å; R34-T69 WeakPolarHBondContact O-CA 3.37Å; R34-I70 PolarHBondContact O-N 2.86Å |
| 35 | P | 83.1 | Confident | 80.6 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | trans | -65.5 | 159 | 171.7 | 30 | -35.7 | 0 | 0 | 0 | 111.4 | T38 L41 T48 | P35-T38 WeakPolarHBondContact CB-O 3.21Å; P35-T38 WeakPolarHBondContact CG-O 3.23Å; P35-L41 HydrophobicContact CB-CD1 3.55Å; P35-L41 HydrophobicContact CB-CG 4.01Å; P35-T48 HydrophobicContact CB-CG2 4.49Å; P35-T48 HydrophobicContact CG-CG2 4.35Å | ||
| 36 | A | 76.8 | Confident | 79.8 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 44% | 0.438 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -82 | -43.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T69 | A36-T69 HydrophobicContact CB-CG2 3.58Š|
| 37 | H | 69.3 | Low | 79.1 | Confident | 185 Ų | 185 | 48.7 Ų | 48.7 | 86% | 0.856 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -139.3 | -19.2 | -165.2 | -59.1 | -48.6 | 0 | 0 | 0 | 115.8 | ||
| 38 | T | 66.1 | Low | 78 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | trans | -125.9 | 145 | -178.3 | 53 | 0 | 0 | 0 | 0 | 111 | P35 E40 L41 | P35-T38 WeakPolarHBondContact CB-O 3.21Å; P35-T38 WeakPolarHBondContact CG-O 3.23Å; T38-E40 VanDerWaalsContact C-N 3.27Å; T38-E40 PolarHBondContact O-N 3.19Å; T38-E40 PolarHBondContact OG1-O 2.95Å; T38-L41 WeakPolarHBondContact OG1-CD2 3.48Å | ||
| 39 | D | 58.8 | Low | 77.2 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -69.9 | -26.2 | 179.5 | -72.9 | -11.3 | 0 | 0 | 0 | 112.8 | T48 H51 Q52 H237 | D39-T48 CarbonylContact O-C 3.54Å; D39-T48 VanDerWaalsContact O-CB 3.29Å; D39-T48 WeakPolarHBondContact O-CB 3.46Å; D39-T48 VanDerWaalsContact O-O 3.11Å; D39-T48 PolarHBondContact O-OG1 3.31Å; D39-H51 IonicContact OD1-CE1 2.89Å; D39-H51 PolarHBondContact OD1-CE1 2.65Å; D39-H51 VanDerWaalsContact OD1-CE1 3.23Å; D39-Q52 PolarHBondContact OD1-NE2 3.06Å; D39-Q52 PolarHBondContact OD2-NE2 2.97Å; D39-H237 IonicContact OD2-CE1 3.38Å; D39-H237 PolarHBondContact OD2-CE1 3.06Å; D39-H237 IonicContact OD2-ND1 2.73Å; D39-H237 PolarHBondContact OD2-ND1 3.36Å |
| 40 | E | 60.7 | Low | 76.4 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | trans | -120.9 | 125.7 | -179.8 | -172.5 | 163.2 | -146.6 | 0 | 0 | 109.4 | T38 K160 H225 | T38-E40 VanDerWaalsContact C-N 3.27Å; T38-E40 PolarHBondContact O-N 3.19Å; T38-E40 PolarHBondContact OG1-O 2.95Å; E40-K160 VanDerWaalsContact OE1-CE 3.23Å; E40-K160 WeakPolarHBondContact OE1-CE 3.48Å; E40-K160 IonicContact OE1-NZ 3.79Å; E40-K160 PolarHBondContact OE1-NZ 3.15Å; E40-H225 IonicContact OE2-CE1 2.87Å; E40-H225 PolarHBondContact OE2-CE1 2.8Å; E40-H225 IonicContact OE2-CG 3.31Å; E40-H225 IonicContact OE2-ND1 3.46Å; E40-H225 PolarHBondContact OE2-ND1 3.3Å | ||
| 41 | L | 62.8 | Low | 75.5 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.335 | 24% | 0.244 | S | C | . | . | trans | -122.8 | 143.4 | 167.4 | -66 | 173.8 | 0 | 0 | 0 | 108.1 | P35 T38 S43 T48 | P35-L41 HydrophobicContact CB-CD1 3.55Å; P35-L41 HydrophobicContact CB-CG 4.01Å; T38-L41 WeakPolarHBondContact OG1-CD2 3.48Å; L41-S43 PolarHBondContact O-N 2.74Å; L41-T48 HydrophobicContact CB-CG2 4.07Å; L41-T48 HydrophobicContact CD1-CG2 4.27Å; L41-T48 HydrophobicContact CG-CG2 4.35Å; L41-T48 PolarHBondContact N-OG1 2.81Å | ||
| 42 | D | 61.6 | Low | 74.7 | Confident | 159 Ų | 159 | 51.8 Ų | 51.8 | 85% | 0.85 | 26% | 0.258 | S | S | * | . | trans | -74.3 | 59.4 | 166.7 | -68 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 43 | S | 63.4 | Low | 74.3 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | trans | -90.5 | 127.4 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 110 | L41 M45 Y46 E88 | L41-S43 PolarHBondContact O-N 2.74Å; S43-M45 PolarHBondContact O-N 2.86Å; S43-M45 PolarHBondContact OG-N 3.35Å; S43-M45 VanDerWaalsContact OG-N 3.16Å; S43-Y46 PolarHBondContact OG-N 3.03Å; S43-E88 PolarHBondContact OG-OE2 3.34Å | ||
| 44 | Y | 66.6 | Low | 74.2 | Confident | 161 Ų | 161 | 51.1 Ų | 51.1 | 63% | 0.631 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70.4 | -18.8 | 171.5 | -69.5 | -85.9 | 0 | 0 | 0 | 112.7 | ||
| 45 | M | 67.6 | Low | 74.5 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -94.2 | -40.2 | -175.3 | -76.2 | -59.3 | -74.4 | 0 | 0 | 113.6 | S43 E88 Y117 Q118 R121 V122 | S43-M45 PolarHBondContact O-N 2.86Å; S43-M45 PolarHBondContact OG-N 3.35Å; S43-M45 VanDerWaalsContact OG-N 3.16Å; M45-E88 HydrophobicContact CG-CG 4.26Å; M45-E88 VanDerWaalsContact CG-OE1 3.25Å; M45-E88 WeakPolarHBondContact CG-OE1 3.33Å; M45-Y117 HydrophobicContact CG-CD1 4.4Å; M45-Y117 HydrophobicContact CG-CE1 3.74Å; M45-Y117 HydrophobicContact SD-CD1 3.63Å; M45-Y117 HydrophobicContact SD-CE1 3.5Å; M45-Y117 VanDerWaalsContact SD-CE1 3.5Å; M45-Q118 PolarHBondContact O-NE2 3.45Å; M45-Q118 VanDerWaalsContact O-NE2 3.15Å; M45-Q118 HydrophobicContact SD-CB 4.36Å; M45-Q118 HydrophobicContact SD-CG 4Å; M45-R121 HydrophobicContact CE-CB 3.7Å; M45-R121 HydrophobicContact SD-CB 4.09Å; M45-R121 WeakPolarHBondContact SD-CD 3.4Å; M45-R121 HydrophobicContact SD-CG 4.32Å; M45-V122 HydrophobicContact CE-CG2 4.41Å |
| 46 | Y | 76.9 | Confident | 75 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | trans | -128.7 | 129.5 | -160.8 | -49.9 | -65 | 0 | 0 | 0 | 112.9 | L33 S43 T48 I70 E88 | L33-Y46 HydrophobicContact CB-CD1 4.47Å; L33-Y46 HydrophobicContact CB-CE1 4.49Å; L33-Y46 HydrophobicContact CD1-CD1 4.35Å; L33-Y46 HydrophobicContact CD1-CD2 4.43Å; L33-Y46 HydrophobicContact CD1-CE1 3.6Å; L33-Y46 HydrophobicContact CD1-CE2 3.68Å; L33-Y46 VanDerWaalsContact CD1-OH 3.23Å; L33-Y46 WeakPolarHBondContact CD1-OH 3.28Å; S43-Y46 PolarHBondContact OG-N 3.03Å; Y46-T48 PolarHBondContact O-N 2.91Å; Y46-I70 HydrophobicContact CD2-CD1 3.7Å; Y46-I70 HydrophobicContact CE2-CD1 4.28Å; Y46-I70 HydrophobicContact CG-CD1 4.39Å; Y46-E88 WeakPolarHBondContact CD2-OE2 3.23Å; Y46-E88 HydrophobicContact CE2-CB 4.2Å; Y46-E88 HydrophobicContact CE2-CG 3.97Å; Y46-E88 WeakPolarHBondContact CE2-OE2 3.12Å | ||
| 47 | Q | 81.1 | Confident | 75.9 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | trans | -64.6 | 126.8 | 161.5 | 149.4 | 173.3 | 18.2 | 0 | 0 | 108.9 | S8 V49 E202 T203 | S8-Q47 PolarHBondContact OG-OE1 2.9Å; Q47-V49 PolarHBondContact NE2-O 3.47Å; Q47-V49 VanDerWaalsContact NE2-O 3.13Å; Q47-E202 WeakPolarHBondContact CG-OE2 3.41Å; Q47-T203 PolarHBondContact NE2-O 2.87Å | ||
| 48 | T | 76.6 | Confident | 77.1 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | trans | -110.5 | -24.5 | -178 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | P35 D39 L41 Y46 H51 | P35-T48 HydrophobicContact CB-CG2 4.49Å; P35-T48 HydrophobicContact CG-CG2 4.35Å; D39-T48 CarbonylContact O-C 3.54Å; D39-T48 VanDerWaalsContact O-CB 3.29Å; D39-T48 WeakPolarHBondContact O-CB 3.46Å; D39-T48 VanDerWaalsContact O-O 3.11Å; D39-T48 PolarHBondContact O-OG1 3.31Å; L41-T48 HydrophobicContact CB-CG2 4.07Å; L41-T48 HydrophobicContact CD1-CG2 4.27Å; L41-T48 HydrophobicContact CG-CG2 4.35Å; L41-T48 PolarHBondContact N-OG1 2.81Å; Y46-T48 PolarHBondContact O-N 2.91Å; T48-H51 WeakPolarHBondContact O-CB 3.37Å; T48-H51 PolarHBondContact O-N 3.38Å; T48-H51 PolarHBondContact O-ND1 3.44Å | ||
| 49 | V | 81.1 | Confident | 78.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 134.8 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | Q47 H51 I159 K160 E202 Y235 | Q47-V49 PolarHBondContact NE2-O 3.47Å; Q47-V49 VanDerWaalsContact NE2-O 3.13Å; V49-H51 VanDerWaalsContact C-N 3.33Å; V49-I159 HydrophobicContact CB-CD1 4.4Å; V49-I159 HydrophobicContact CG1-CD1 4.01Å; V49-I159 HydrophobicContact CG1-CG1 4.45Å; V49-I159 WeakPolarHBondContact O-CD1 3.45Å; V49-K160 HydrophobicContact CG2-CD 4.03Å; V49-E202 WeakPolarHBondContact CB-OE2 3.45Å; V49-Y235 HydrophobicContact CG1-CD2 4.04Å; V49-Y235 HydrophobicContact CG1-CG 4.14Å; V49-Y235 HydrophobicContact CG2-CG 4.49Å |
| 50 | G | 80.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 5.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q52 A53 | G50-Q52 PolarHBondContact O-N 2.89Å; G50-Q52 VanDerWaalsContact O-N 3.1Å; G50-A53 PolarHBondContact O-N 3.34Å; G50-A53 VanDerWaalsContact O-N 3.11Å |
| 51 | H | 81.1 | Confident | 81.8 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -62.6 | -19.1 | -178.7 | 78.7 | -91.4 | 0 | 0 | 0 | 113.7 | D39 T48 V49 A53 I54 R67 | D39-H51 IonicContact OD1-CE1 2.89Å; D39-H51 PolarHBondContact OD1-CE1 2.65Å; D39-H51 VanDerWaalsContact OD1-CE1 3.23Å; T48-H51 WeakPolarHBondContact O-CB 3.37Å; T48-H51 PolarHBondContact O-N 3.38Å; T48-H51 PolarHBondContact O-ND1 3.44Å; V49-H51 VanDerWaalsContact C-N 3.33Å; H51-A53 VanDerWaalsContact C-N 3.25Å; H51-A53 PolarHBondContact O-N 3.42Å; H51-I54 WeakPolarHBondContact O-CG1 3.41Å; H51-R67 PolarHBondContact O-NH2 2.96Å |
| 52 | Q | 80.1 | Confident | 83.4 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -67.3 | -29.7 | 177.8 | -50.4 | 91.4 | -12.8 | 0 | 0 | 111.5 | D39 G50 | D39-Q52 PolarHBondContact OD1-NE2 3.06Å; D39-Q52 PolarHBondContact OD2-NE2 2.97Å; G50-Q52 PolarHBondContact O-N 2.89Å; G50-Q52 VanDerWaalsContact O-N 3.1Å |
| 53 | A | 86.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -91.3 | 0.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G50 H51 E55 L56 F204 F238 M241 | G50-A53 PolarHBondContact O-N 3.34Å; G50-A53 VanDerWaalsContact O-N 3.11Å; H51-A53 VanDerWaalsContact C-N 3.25Å; H51-A53 PolarHBondContact O-N 3.42Å; A53-E55 VanDerWaalsContact C-N 3.25Å; A53-E55 PolarHBondContact O-N 3.47Å; A53-L56 HydrophobicContact CB-CD1 4.47Å; A53-L56 WeakPolarHBondContact O-CB 3.29Å; A53-L56 PolarHBondContact O-N 3.29Å; A53-L56 VanDerWaalsContact O-N 3.11Å; A53-F204 HydrophobicContact CB-CE1 4.22Å; A53-F204 HydrophobicContact CB-CE2 3.57Å; A53-F204 HydrophobicContact CB-CZ 3.35Å; A53-F238 HydrophobicContact CB-CD2 4.48Å; A53-M241 HydrophobicContact CB-CE 4.16Å; A53-M241 HydrophobicContact CB-SD 3.49Å; A53-M241 WeakPolarHBondContact CB-SD 3.49Å |
| 54 | I | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -65.2 | -28.1 | -177.6 | -64.2 | -65.8 | 0 | 0 | 0 | 112.5 | I7 S8 G9 N32 H51 L56 Y57 L65 | I7-I54 HydrophobicContact CD1-CG2 3.7Å; I7-I54 HydrophobicContact CG1-CG2 4.28Å; S8-I54 VanDerWaalsContact C-CD1 3.41Å; G9-I54 VanDerWaalsContact N-CD1 3.3Å; N32-I54 HydrophobicContact CB-CG2 3.97Å; H51-I54 WeakPolarHBondContact O-CG1 3.41Å; I54-L56 PolarHBondContact O-N 3.36Å; I54-Y57 WeakPolarHBondContact O-CB 3.06Å; I54-Y57 PolarHBondContact O-N 3.01Å; I54-L65 HydrophobicContact CG2-CD1 4.18Å; I54-L65 HydrophobicContact CG2-CD2 4.08Å |
| 55 | E | 92.6 | Very high | 88.2 | Confident | 107 Ų | 107 | 32.3 Ų | 32.3 | 50% | 0.5 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.4 | -31.2 | 175.9 | -69.8 | 177 | -170.1 | 0 | 0 | 111.7 | A53 Y57 A58 D59 L65 R67 | A53-E55 VanDerWaalsContact C-N 3.25Å; A53-E55 PolarHBondContact O-N 3.47Å; E55-Y57 PolarHBondContact O-N 3.35Å; E55-A58 VanDerWaalsContact O-CB 3.27Å; E55-A58 WeakPolarHBondContact O-CB 3.36Å; E55-A58 PolarHBondContact O-N 2.96Å; E55-A58 VanDerWaalsContact O-N 3.08Å; E55-D59 PolarHBondContact O-N 3.49Å; E55-L65 HydrophobicContact CG-CD2 4.12Å; E55-R67 IonicContact OE1-NH1 2.97Å; E55-R67 PolarHBondContact OE1-NH1 3.05Å |
| 56 | L | 95.1 | Very high | 89.6 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.141 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -20 | 175.5 | -60.8 | 173.9 | 0 | 0 | 0 | 112.8 | A53 I54 D59 A60 I215 M241 | A53-L56 HydrophobicContact CB-CD1 4.47Å; A53-L56 WeakPolarHBondContact O-CB 3.29Å; A53-L56 PolarHBondContact O-N 3.29Å; A53-L56 VanDerWaalsContact O-N 3.11Å; I54-L56 PolarHBondContact O-N 3.36Å; L56-D59 PolarHBondContact O-N 3.43Å; L56-A60 WeakPolarHBondContact O-CB 3.44Å; L56-A60 PolarHBondContact O-N 2.93Å; L56-I215 HydrophobicContact CB-CD1 3.86Å; L56-I215 HydrophobicContact CB-CG1 4.13Å; L56-I215 HydrophobicContact CB-CG2 4.47Å; L56-I215 HydrophobicContact CD1-CG2 3.82Å; L56-M241 HydrophobicContact CD1-CB 3.49Å; L56-M241 VanDerWaalsContact CD1-CB 3.49Å |
| 57 | Y | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.9 | -36.6 | 173.7 | -81.5 | -141.9 | 0 | 0 | 0 | 111.1 | I7 G9 C14 I54 E55 D59 A60 M61 F204 T205 F211 I215 | I7-Y57 HydrophobicContact CD1-CD1 3.9Å; I7-Y57 HydrophobicContact CD1-CG 4.28Å; G9-Y57 WeakPolarHBondContact CA-OH 3.46Å; G9-Y57 PolarHBondContact O-OH 3.44Å; C14-Y57 WeakPolarHBondContact SG-CE1 3.49Å; I54-Y57 WeakPolarHBondContact O-CB 3.06Å; I54-Y57 PolarHBondContact O-N 3.01Å; E55-Y57 PolarHBondContact O-N 3.35Å; Y57-D59 VanDerWaalsContact C-N 3.32Å; Y57-A60 PolarHBondContact O-N 3.38Å; Y57-M61 WeakPolarHBondContact O-CB 3.44Å; Y57-M61 WeakPolarHBondContact O-CG 3.45Å; Y57-M61 PolarHBondContact O-N 3.42Å; Y57-F204 HydrophobicContact CD2-CZ 4.13Å; Y57-F204 AromaticContact CE2-CE1 3.95Å; Y57-F204 HydrophobicContact CE2-CE1 3.95Å; Y57-F204 AromaticContact CE2-CE2 3.86Å; Y57-F204 HydrophobicContact CE2-CE2 3.86Å; Y57-F204 AromaticContact CE2-CZ 3.43Å; Y57-F204 HydrophobicContact CE2-CZ 3.43Å; Y57-F204 VanDerWaalsContact CE2-CZ 3.43Å; Y57-T205 WeakPolarHBondContact CE2-O 3.32Å; Y57-T205 WeakPolarHBondContact OH-CA 3.33Å; Y57-T205 WeakPolarHBondContact OH-CB 3.26Å; Y57-T205 PolarHBondContact OH-N 3.41Å; Y57-T205 VanDerWaalsContact OH-N 3.17Å; Y57-T205 PolarHBondContact OH-O 3.32Å; Y57-F211 HydrophobicContact CD1-CE1 4.5Å; Y57-F211 AromaticContact CD1-CZ 3.97Å; Y57-F211 HydrophobicContact CD1-CZ 3.97Å; Y57-F211 HydrophobicContact CD2-CZ 4.26Å; Y57-F211 AromaticContact CE1-CZ 3.82Å; Y57-F211 HydrophobicContact CE1-CZ 3.82Å; Y57-F211 HydrophobicContact CE2-CE2 4.28Å; Y57-F211 HydrophobicContact CE2-CZ 4.05Å; Y57-F211 HydrophobicContact CG-CZ 4.18Å; Y57-F211 AromaticContact CZ-CZ 3.82Å; Y57-I215 HydrophobicContact CD2-CD1 3.49Å; Y57-I215 VanDerWaalsContact CD2-CD1 3.49Å; Y57-I215 HydrophobicContact CE2-CD1 3.51Å |
| 58 | A | 94.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 12% | 0.116 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E55 E62 L63 L65 | E55-A58 VanDerWaalsContact O-CB 3.27Å; E55-A58 WeakPolarHBondContact O-CB 3.36Å; E55-A58 PolarHBondContact O-N 2.96Å; E55-A58 VanDerWaalsContact O-N 3.08Å; A58-E62 WeakPolarHBondContact O-CA 3.26Å; A58-E62 PolarHBondContact O-N 3.01Å; A58-L63 PolarHBondContact O-N 2.74Å; A58-L63 VanDerWaalsContact O-N 3.16Å; A58-L65 HydrophobicContact CB-CB 3.67Å; A58-L65 HydrophobicContact CB-CD2 4.2Å |
| 59 | D | 94.7 | Very high | 91.8 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 49% | 0.492 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.7 | -41 | 177 | -70.6 | -15 | 0 | 0 | 0 | 112.4 | E55 L56 Y57 A243 | E55-D59 PolarHBondContact O-N 3.49Å; L56-D59 PolarHBondContact O-N 3.43Å; Y57-D59 VanDerWaalsContact C-N 3.32Å; D59-A243 HydrophobicContact CB-CB 4.47Å |
| 60 | A | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -36.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L56 Y57 F211 K212 K213 I215 | L56-A60 WeakPolarHBondContact O-CB 3.44Å; L56-A60 PolarHBondContact O-N 2.93Å; Y57-A60 PolarHBondContact O-N 3.38Å; A60-F211 HydrophobicContact CB-CB 4.33Å; A60-F211 HydrophobicContact CB-CD2 3.86Å; A60-F211 HydrophobicContact CB-CE2 4.3Å; A60-F211 HydrophobicContact CB-CG 4.02Å; A60-F211 CarbonylContact O-C 3.16Å; A60-K212 WeakPolarHBondContact O-CA 3.35Å; A60-K212 WeakPolarHBondContact O-CB 3.24Å; A60-K212 PolarHBondContact O-N 3.31Å; A60-K213 WeakPolarHBondContact CB-O 3.26Å; A60-K213 PolarHBondContact O-N 2.95Å; A60-I215 HydrophobicContact CB-CD1 4.38Å; A60-I215 HydrophobicContact CB-CG1 4.27Å |
| 61 | M | 94.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.069 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -93.9 | -14.9 | 179.6 | -63.7 | -173.1 | 71.9 | 0 | 0 | 113.5 | M17 L30 Y57 L63 L210 F211 | M17-M61 HydrophobicContact CE-CE 4.35Å; M17-M61 HydrophobicContact CE-SD 3.96Å; M17-M61 HydrophobicContact SD-CE 3.95Å; M17-M61 HydrophobicContact SD-SD 4.06Å; L30-M61 HydrophobicContact CD1-SD 4.14Å; L30-M61 HydrophobicContact CD2-SD 3.91Å; Y57-M61 WeakPolarHBondContact O-CB 3.44Å; Y57-M61 WeakPolarHBondContact O-CG 3.45Å; Y57-M61 PolarHBondContact O-N 3.42Å; M61-L63 HydrophobicContact CB-CB 4.34Å; M61-L63 HydrophobicContact CB-CD1 3.98Å; M61-L63 HydrophobicContact CB-CG 4.02Å; M61-L63 HydrophobicContact CE-CD1 3.81Å; M61-L63 HydrophobicContact SD-CD1 4.43Å; M61-L210 HydrophobicContact CE-CB 4.06Å; M61-L210 HydrophobicContact CE-CD1 4.3Å; M61-F211 HydrophobicContact CG-CD1 3.57Å; M61-F211 HydrophobicContact CG-CE1 3.76Å; M61-F211 HydrophobicContact SD-CD1 4.16Å; M61-F211 HydrophobicContact SD-CE1 3.86Å |
| 62 | E | 95.6 | Very high | 92.8 | Very high | 111 Ų | 111 | 45.5 Ų | 45.5 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 51.3 | -168.8 | -61.7 | 177.4 | 178 | 0 | 0 | 112.1 | A58 K212 | A58-E62 WeakPolarHBondContact O-CA 3.26Å; A58-E62 PolarHBondContact O-N 3.01Å; E62-K212 HydrophobicContact CB-CD 4.23Å; E62-K212 VanDerWaalsContact CD-CD 3.44Å; E62-K212 HydrophobicContact CG-CD 3.91Å; E62-K212 VanDerWaalsContact OE2-CD 3.25Å; E62-K212 WeakPolarHBondContact OE2-CD 3.39Å; E62-K212 WeakPolarHBondContact OE2-CE 3.41Å; E62-K212 IonicContact OE2-NZ 3.38Å; E62-K212 PolarHBondContact OE2-NZ 3.02Å |
| 63 | L | 96.8 | Very high | 93 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | trans | -126.9 | 149.3 | -179.8 | -69.4 | 178.4 | 0 | 0 | 0 | 111.1 | I27 L30 A58 M61 L65 | I27-L63 HydrophobicContact CB-CD1 4.24Å; I27-L63 HydrophobicContact CG2-CD1 3.74Å; L30-L63 HydrophobicContact CD1-CB 4.43Å; L30-L63 HydrophobicContact CD2-CD1 4.22Å; L30-L63 HydrophobicContact CG-CB 4.21Å; L30-L63 HydrophobicContact CG-CD1 4.43Å; A58-L63 PolarHBondContact O-N 2.74Å; A58-L63 VanDerWaalsContact O-N 3.16Å; M61-L63 HydrophobicContact CB-CB 4.34Å; M61-L63 HydrophobicContact CB-CD1 3.98Å; M61-L63 HydrophobicContact CB-CG 4.02Å; M61-L63 HydrophobicContact CE-CD1 3.81Å; M61-L63 HydrophobicContact SD-CD1 4.43Å; L63-L65 PolarHBondContact O-N 3.32Å | ||
| 64 | P | 97.8 | Very high | 92.9 | Very high | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | trans | -63.7 | 136.3 | 173.4 | 27.9 | -34.1 | 0 | 0 | 0 | 110.8 | V28 A29 L30 Y66 | V28-P64 VanDerWaalsContact O-CD 3.28Å; V28-P64 WeakPolarHBondContact O-CD 3.28Å; V28-P64 VanDerWaalsContact O-CG 3.31Å; V28-P64 WeakPolarHBondContact O-CG 3.25Å; A29-P64 WeakPolarHBondContact CA-O 3.43Å; A29-P64 HydrophobicContact CB-CG 4.03Å; L30-P64 PolarHBondContact N-O 3.48Å; P64-Y66 HydrophobicContact CB-CE2 3.92Å; P64-Y66 HydrophobicContact CG-CE2 4.25Å | ||
| 65 | L | 97.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.1 | 176.6 | 172.4 | 65.1 | 0 | 0 | 0 | 110.5 | I7 L30 N32 I54 E55 A58 L63 R67 | I7-L65 HydrophobicContact CD1-CD1 4.17Å; L30-L65 HydrophobicContact CB-CD1 3.78Å; L30-L65 WeakPolarHBondContact O-CA 3.29Å; N32-L65 HydrophobicContact CB-CD1 4.4Å; I54-L65 HydrophobicContact CG2-CD1 4.18Å; I54-L65 HydrophobicContact CG2-CD2 4.08Å; E55-L65 HydrophobicContact CG-CD2 4.12Å; A58-L65 HydrophobicContact CB-CB 3.67Å; A58-L65 HydrophobicContact CB-CD2 4.2Å; L63-L65 PolarHBondContact O-N 3.32Å; L65-R67 HydrophobicContact CD1-CG 4.11Å; L65-R67 HydrophobicContact CD2-CG 4.02Å; L65-R67 HydrophobicContact CG-CG 3.82Å |
| 66 | Y | 97.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.1 | 175.3 | -64.8 | -86.9 | 0 | 0 | 0 | 109.3 | A29 L30 A31 N32 P64 L98 V99 K102 E103 | A29-Y66 HydrophobicContact CB-CD2 4.1Å; A29-Y66 HydrophobicContact CB-CE2 3.96Å; L30-Y66 PolarHBondContact O-N 3.5Å; A31-Y66 VanDerWaalsContact CA-O 3.32Å; A31-Y66 WeakPolarHBondContact CA-O 3.4Å; N32-Y66 PolarHBondContact N-O 2.82Å; P64-Y66 HydrophobicContact CB-CE2 3.92Å; P64-Y66 HydrophobicContact CG-CE2 4.25Å; Y66-L98 HydrophobicContact CD1-CD2 4.21Å; Y66-L98 HydrophobicContact CD1-CG 4.44Å; Y66-V99 HydrophobicContact CD1-CG2 4.27Å; Y66-V99 HydrophobicContact CD2-CG1 4.26Å; Y66-V99 HydrophobicContact CD2-CG2 3.68Å; Y66-V99 HydrophobicContact CE2-CG1 4.38Å; Y66-V99 HydrophobicContact CE2-CG2 4.4Å; Y66-V99 HydrophobicContact CG-CG2 3.59Å; Y66-K102 HydrophobicContact CE1-CB 4.48Å; Y66-K102 HydrophobicContact CE1-CD 3.46Å; Y66-K102 VanDerWaalsContact CE1-CD 3.46Å; Y66-E103 HydrophobicContact CE2-CG 3.81Å; Y66-E103 PolarHBondContact OH-OE1 2.97Å |
| 67 | R | 94.8 | Very high | 91.6 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140 | 177.6 | -54.2 | -173.3 | 77.8 | 177 | 7.6 | 110.7 | N32 H51 E55 L65 | N32-R67 HydrophobicContact CB-CG 4.49Å; N32-R67 VanDerWaalsContact O-CA 3.29Å; N32-R67 WeakPolarHBondContact O-CA 3.44Å; N32-R67 PolarHBondContact OD1-NE 3.13Å; N32-R67 PolarHBondContact OD1-NH2 2.95Å; N32-R67 VanDerWaalsContact OD1-NH2 3.09Å; H51-R67 PolarHBondContact O-NH2 2.96Å; E55-R67 IonicContact OE1-NH1 2.97Å; E55-R67 PolarHBondContact OE1-NH1 3.05Å; L65-R67 HydrophobicContact CD1-CG 4.11Å; L65-R67 HydrophobicContact CD2-CG 4.02Å; L65-R67 HydrophobicContact CG-CG 3.82Å |
| 68 | R | 93.7 | Very high | 91 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.6 | 168.9 | -178.3 | -178.6 | 178.7 | 91.9 | 3.5 | 109.2 | N32 L33 R34 D91 L95 | N32-R68 PolarHBondContact O-N 3.36Å; N32-R68 VanDerWaalsContact O-N 3.17Å; L33-R68 WeakPolarHBondContact CA-O 3.37Å; L33-R68 HydrophobicContact CD2-CB 3.85Å; L33-R68 HydrophobicContact CD2-CG 4.2Å; R34-R68 PolarHBondContact N-O 3.03Å; R68-D91 VanDerWaalsContact CD-O 3.24Å; R68-D91 WeakPolarHBondContact CD-O 3.46Å; R68-D91 IonicContact CZ-OD1 3.11Å; R68-D91 IonicContact NE-OD1 3.22Å; R68-D91 PolarHBondContact NE-OD1 3.44Å; R68-D91 IonicContact NH2-OD1 3.57Å; R68-D91 PolarHBondContact NH2-OD1 3.42Å; R68-L95 HydrophobicContact CB-CB 4.13Å; R68-L95 HydrophobicContact CB-CD1 4.12Å; R68-L95 HydrophobicContact CB-CD2 4.4Å; R68-L95 HydrophobicContact CB-CG 4.45Å |
| 69 | T | 91.8 | Very high | 90 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 131.5 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 108.9 | R34 A36 Q71 | R34-T69 PolarHBondContact NE-OG1 3.5Å; R34-T69 CarbonylContact O-C 3.47Å; R34-T69 WeakPolarHBondContact O-CA 3.37Å; A36-T69 HydrophobicContact CB-CG2 3.58Å; T69-Q71 PolarHBondContact O-N 2.79Å |
| 70 | I | 88.8 | Confident | 89.4 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | trans | -65.7 | 121.3 | 175 | -59 | 166.9 | 0 | 0 | 0 | 108 | L33 R34 Y46 G72 E88 | L33-I70 HydrophobicContact CB-CD1 4.09Å; L33-I70 HydrophobicContact CB-CG1 3.82Å; L33-I70 HydrophobicContact CD2-CG1 4.24Å; L33-I70 HydrophobicContact CG-CG1 4.45Å; R34-I70 PolarHBondContact O-N 2.86Å; Y46-I70 HydrophobicContact CD2-CD1 3.7Å; Y46-I70 HydrophobicContact CE2-CD1 4.28Å; Y46-I70 HydrophobicContact CG-CD1 4.39Å; I70-G72 WeakPolarHBondContact CG2-O 3.33Å; I70-E88 HydrophobicContact CG2-CB 4.06Å | ||
| 71 | Q | 89.4 | Confident | 88.9 | Confident | 158 Ų | 158 | 55.1 Ų | 55.1 | 74% | 0.738 | 29% | 0.29 | S | S | * | . | trans | -107.5 | -32.9 | 175 | -65.2 | -174.5 | -27.2 | 0 | 0 | 111.1 | T69 D91 | T69-Q71 PolarHBondContact O-N 2.79Å; Q71-D91 PolarHBondContact N-OD2 3.23Å | ||
| 72 | G | 84.4 | Confident | 88.5 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 19% | 0.186 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -76.8 | 173.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | I70 G86 D91 | I70-G72 WeakPolarHBondContact CG2-O 3.33Å; G72-G86 CarbonylContact C-O 3.53Å; G72-G86 WeakPolarHBondContact CA-O 3.39Å; G72-D91 PolarHBondContact N-OD2 3.12Å |
| 73 | S | 84 | Confident | 88.2 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -123.6 | 167.9 | 171 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | L75 G86 D87 E88 | S73-L75 PolarHBondContact O-N 3.17Å; S73-L75 VanDerWaalsContact OG-CD2 3.3Å; S73-L75 WeakPolarHBondContact OG-CD2 3.45Å; S73-G86 PolarHBondContact N-O 3.23Å; S73-G86 VanDerWaalsContact N-O 3.09Å; S73-D87 VanDerWaalsContact O-CA 3.28Å; S73-D87 WeakPolarHBondContact O-CA 3.25Å; S73-E88 PolarHBondContact O-N 2.89Å; S73-E88 VanDerWaalsContact O-N 3.14Å |
| 74 | S | 84.8 | Confident | 88 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | trans | -72.6 | 92 | 175.1 | -43.5 | 0 | 0 | 0 | 0 | 110.2 | E88 | S74-E88 VanDerWaalsContact OG-CD 3.32Å; S74-E88 PolarHBondContact OG-OE1 2.9Å | ||
| 75 | L | 86 | Confident | 87.7 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | trans | -95.8 | -56.5 | -174.9 | -64.5 | 179.6 | 0 | 0 | 0 | 111.3 | S73 T77 T84 E85 D87 | S73-L75 PolarHBondContact O-N 3.17Å; S73-L75 VanDerWaalsContact OG-CD2 3.3Å; S73-L75 WeakPolarHBondContact OG-CD2 3.45Å; L75-T77 PolarHBondContact O-N 2.99Å; L75-T84 HydrophobicContact CB-CG2 4.04Å; L75-T84 HydrophobicContact CD1-CG2 4.32Å; L75-E85 WeakPolarHBondContact CD1-O 3.49Å; L75-D87 WeakPolarHBondContact CA-OD2 3.21Å; L75-D87 HydrophobicContact CB-CB 4.35Å; L75-D87 WeakPolarHBondContact CB-OD2 3.38Å; L75-D87 PolarHBondContact N-OD2 2.83Å | ||
| 76 | D | 84.3 | Confident | 87.3 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | trans | -83.3 | 96.3 | 172.4 | -175.9 | -5.4 | 0 | 0 | 0 | 107.5 | S78 Y81 S82 T84 D87 R121 | D76-S78 VanDerWaalsContact C-N 3.31Å; D76-S78 WeakPolarHBondContact OD1-CB 3.47Å; D76-S78 PolarHBondContact OD1-N 3.31Å; D76-S78 PolarHBondContact OD1-OG 3.44Å; D76-Y81 HydrophobicContact CB-CD2 4.08Å; D76-Y81 HydrophobicContact CB-CE2 3.99Å; D76-S82 PolarHBondContact OD2-N 3.02Å; D76-S82 VanDerWaalsContact OD2-N 3.17Å; D76-S82 PolarHBondContact OD2-OG 3.02Å; D76-T84 HydrophobicContact CB-CG2 4.47Å; D76-D87 PolarHBondContact N-OD2 2.86Å; D76-R121 PolarHBondContact O-NH2 3.43Å | ||
| 77 | T | 81.5 | Confident | 87.1 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | trans | -93.3 | 9.1 | 174.9 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | L75 | L75-T77 PolarHBondContact O-N 2.99Š| ||
| 78 | S | 81.2 | Confident | 86.9 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -68.8 | 164.1 | 179.9 | 81.1 | 0 | 0 | 0 | 0 | 111.1 | D76 N80 R121 | D76-S78 VanDerWaalsContact C-N 3.31Å; D76-S78 WeakPolarHBondContact OD1-CB 3.47Å; D76-S78 PolarHBondContact OD1-N 3.31Å; D76-S78 PolarHBondContact OD1-OG 3.44Å; S78-N80 CarbonylContact C-O 3.58Å; S78-N80 PolarHBondContact O-N 2.92Å; S78-N80 PolarHBondContact OG-O 3.14Å; S78-R121 PolarHBondContact O-NH2 2.83Å |
| 79 | R | 75.5 | Confident | 86.8 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -61.7 | -33.3 | -179.4 | -176.6 | 174.5 | -178.9 | 162.4 | 1.6 | 112.2 | D116 E419 | R79-D116 IonicContact NH2-OD2 3.4Å; R79-E419 WeakPolarHBondContact CD-OE1 3.34Å; R79-E419 IonicContact CZ-OE1 2.95Å; R79-E419 IonicContact CZ-OE2 3.68Å; R79-E419 IonicContact NH1-OE1 2.75Å; R79-E419 PolarHBondContact NH1-OE1 2.89Å; R79-E419 IonicContact NH1-OE2 3.04Å; R79-E419 PolarHBondContact NH1-OE2 3.38Å |
| 80 | N | 80.5 | Confident | 87 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -98.3 | 161.9 | 174.9 | -59.6 | -46.9 | 0 | 0 | 0 | 108.8 | S78 N380 | S78-N80 CarbonylContact C-O 3.58Å; S78-N80 PolarHBondContact O-N 2.92Å; S78-N80 PolarHBondContact OG-O 3.14Å; N80-N380 PolarHBondContact ND2-ND2 3.46Å; N80-N380 PolarHBondContact OD1-ND2 3.46Å |
| 81 | Y | 85.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | trans | -118.5 | 129 | 173.5 | -173.1 | -99.2 | 0 | 0 | 0 | 109.9 | D76 T84 D87 V89 E90 R121 N124 | D76-Y81 HydrophobicContact CB-CD2 4.08Å; D76-Y81 HydrophobicContact CB-CE2 3.99Å; Y81-T84 PolarHBondContact OH-N 3.49Å; Y81-D87 HydrophobicContact CE2-CB 4.4Å; Y81-D87 WeakPolarHBondContact OH-CB 3.19Å; Y81-V89 HydrophobicContact CD1-CG1 3.87Å; Y81-V89 HydrophobicContact CD2-CB 4.46Å; Y81-V89 HydrophobicContact CD2-CG2 4.13Å; Y81-V89 HydrophobicContact CE1-CB 3.89Å; Y81-V89 HydrophobicContact CE1-CG1 3.42Å; Y81-V89 VanDerWaalsContact CE1-CG1 3.42Å; Y81-V89 HydrophobicContact CE2-CB 3.77Å; Y81-V89 HydrophobicContact CE2-CG1 4.12Å; Y81-V89 HydrophobicContact CE2-CG2 3.74Å; Y81-V89 HydrophobicContact CG-CG1 4.4Å; Y81-V89 VanDerWaalsContact CZ-CB 3.46Å; Y81-E90 PolarHBondContact OH-OE1 3.41Å; Y81-E90 VanDerWaalsContact OH-OE1 3.12Å; Y81-R121 HydrophobicContact CD2-CG 3.95Å; Y81-R121 HydrophobicContact CG-CG 3.96Å; Y81-N124 HydrophobicContact CD1-CB 4.15Å; Y81-N124 PolarHBondContact O-ND2 3.25Å | ||
| 82 | S | 85.6 | Confident | 87.6 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | trans | -111.3 | 146.3 | 164.1 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | D76 T84 | D76-S82 PolarHBondContact OD2-N 3.02Å; D76-S82 VanDerWaalsContact OD2-N 3.17Å; D76-S82 PolarHBondContact OD2-OG 3.02Å; S82-T84 PolarHBondContact O-N 3.25Å; S82-T84 PolarHBondContact O-OG1 3.15Å | ||
| 83 | E | 90.7 | Very high | 88.3 | Confident | 133 Ų | 133 | 50.1 Ų | 50.1 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | trans | -50.7 | 114.7 | 176.2 | 176.3 | 170.1 | 179.3 | 0 | 0 | 109.8 | R128 | E83-R128 IonicContact OE1-NH2 2.77Å; E83-R128 PolarHBondContact OE1-NH2 3.01Å; E83-R128 VanDerWaalsContact OE1-NH2 3.09Å; E83-R128 IonicContact OE2-CZ 3.87Å; E83-R128 IonicContact OE2-NE 2.71Å; E83-R128 IonicContact OE2-NH2 3.81Å; E83-R128 PolarHBondContact OE2-NH2 2.95Å; E83-R128 VanDerWaalsContact OE2-NH2 3.11Å | ||
| 84 | T | 91.2 | Very high | 88.9 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | trans | -127 | 113.3 | -171.9 | -62 | 0 | 0 | 0 | 0 | 108.5 | L75 D76 Y81 S82 G86 D87 E90 | L75-T84 HydrophobicContact CB-CG2 4.04Å; L75-T84 HydrophobicContact CD1-CG2 4.32Å; D76-T84 HydrophobicContact CB-CG2 4.47Å; Y81-T84 PolarHBondContact OH-N 3.49Å; S82-T84 PolarHBondContact O-N 3.25Å; S82-T84 PolarHBondContact O-OG1 3.15Å; T84-G86 PolarHBondContact O-N 3.29Å; T84-D87 HydrophobicContact CG2-CB 4.13Å; T84-D87 VanDerWaalsContact O-CB 3.25Å; T84-D87 WeakPolarHBondContact O-CB 3.43Å; T84-D87 PolarHBondContact O-N 3.35Å; T84-D87 VanDerWaalsContact O-N 3.13Å; T84-E90 WeakPolarHBondContact O-CG 3.39Å | ||
| 85 | E | 92.3 | Very high | 89.5 | Confident | 187 Ų | 187 | 49.7 Ų | 49.7 | 87% | 0.874 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 130.5 | -179.7 | -172.1 | 178.6 | -179.8 | 0 | 0 | 110.8 | L75 D87 | L75-E85 WeakPolarHBondContact CD1-O 3.49Å; E85-D87 VanDerWaalsContact C-N 3.32Å |
| 86 | G | 90.1 | Very high | 90.1 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 4.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | G72 S73 T84 | G72-G86 CarbonylContact C-O 3.53Å; G72-G86 WeakPolarHBondContact CA-O 3.39Å; S73-G86 PolarHBondContact N-O 3.23Å; S73-G86 VanDerWaalsContact N-O 3.09Å; T84-G86 PolarHBondContact O-N 3.29Å |
| 87 | D | 92.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -82.9 | 146.3 | 175.4 | -165.6 | -75.6 | 0 | 0 | 0 | 112.1 | S73 L75 D76 Y81 T84 E85 V89 E90 | S73-D87 VanDerWaalsContact O-CA 3.28Å; S73-D87 WeakPolarHBondContact O-CA 3.25Å; L75-D87 WeakPolarHBondContact CA-OD2 3.21Å; L75-D87 HydrophobicContact CB-CB 4.35Å; L75-D87 WeakPolarHBondContact CB-OD2 3.38Å; L75-D87 PolarHBondContact N-OD2 2.83Å; D76-D87 PolarHBondContact N-OD2 2.86Å; Y81-D87 HydrophobicContact CE2-CB 4.4Å; Y81-D87 WeakPolarHBondContact OH-CB 3.19Å; T84-D87 HydrophobicContact CG2-CB 4.13Å; T84-D87 VanDerWaalsContact O-CB 3.25Å; T84-D87 WeakPolarHBondContact O-CB 3.43Å; T84-D87 PolarHBondContact O-N 3.35Å; T84-D87 VanDerWaalsContact O-N 3.13Å; E85-D87 VanDerWaalsContact C-N 3.32Å; D87-V89 PolarHBondContact O-N 3.13Å; D87-V89 VanDerWaalsContact O-N 3.13Å; D87-V89 WeakPolarHBondContact OD1-CB 3.33Å; D87-V89 VanDerWaalsContact OD1-CG2 3.26Å; D87-V89 WeakPolarHBondContact OD1-CG2 3.39Å; D87-V89 PolarHBondContact OD1-N 3.22Å; D87-E90 PolarHBondContact O-N 2.92Å |
| 88 | E | 90.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.023 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -21 | 178.5 | 71 | -177.8 | 160 | 0 | 0 | 113.8 | S43 M45 Y46 I70 S73 S74 E90 D91 L92 | S43-E88 PolarHBondContact OG-OE2 3.34Å; M45-E88 HydrophobicContact CG-CG 4.26Å; M45-E88 VanDerWaalsContact CG-OE1 3.25Å; M45-E88 WeakPolarHBondContact CG-OE1 3.33Å; Y46-E88 WeakPolarHBondContact CD2-OE2 3.23Å; Y46-E88 HydrophobicContact CE2-CB 4.2Å; Y46-E88 HydrophobicContact CE2-CG 3.97Å; Y46-E88 WeakPolarHBondContact CE2-OE2 3.12Å; I70-E88 HydrophobicContact CG2-CB 4.06Å; S73-E88 PolarHBondContact O-N 2.89Å; S73-E88 VanDerWaalsContact O-N 3.14Å; S74-E88 VanDerWaalsContact OG-CD 3.32Å; S74-E88 PolarHBondContact OG-OE1 2.9Å; E88-E90 VanDerWaalsContact C-N 3.31Å; E88-D91 PolarHBondContact O-N 3.27Å; E88-L92 PolarHBondContact O-N 3.01Å |
| 89 | V | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.5 | -29.4 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | Y81 D87 D91 L92 Y93 R121 V125 | Y81-V89 HydrophobicContact CD1-CG1 3.87Å; Y81-V89 HydrophobicContact CD2-CB 4.46Å; Y81-V89 HydrophobicContact CD2-CG2 4.13Å; Y81-V89 HydrophobicContact CE1-CB 3.89Å; Y81-V89 HydrophobicContact CE1-CG1 3.42Å; Y81-V89 VanDerWaalsContact CE1-CG1 3.42Å; Y81-V89 HydrophobicContact CE2-CB 3.77Å; Y81-V89 HydrophobicContact CE2-CG1 4.12Å; Y81-V89 HydrophobicContact CE2-CG2 3.74Å; Y81-V89 HydrophobicContact CG-CG1 4.4Å; Y81-V89 VanDerWaalsContact CZ-CB 3.46Å; D87-V89 PolarHBondContact O-N 3.13Å; D87-V89 VanDerWaalsContact O-N 3.13Å; D87-V89 WeakPolarHBondContact OD1-CB 3.33Å; D87-V89 VanDerWaalsContact OD1-CG2 3.26Å; D87-V89 WeakPolarHBondContact OD1-CG2 3.39Å; D87-V89 PolarHBondContact OD1-N 3.22Å; V89-D91 VanDerWaalsContact C-N 3.32Å; V89-L92 WeakPolarHBondContact O-CB 3.42Å; V89-L92 PolarHBondContact O-N 2.85Å; V89-Y93 PolarHBondContact O-N 3.1Å; V89-R121 HydrophobicContact CG1-CB 4.26Å; V89-R121 HydrophobicContact CG2-CB 3.84Å; V89-R121 HydrophobicContact CG2-CG 3.62Å; V89-V125 HydrophobicContact CG1-CG2 3.61Å |
| 90 | E | 95.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 45 Ų | 45 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.1 | -27.9 | 176.3 | -62.1 | -54 | 129.1 | 0 | 0 | 111.5 | Y81 T84 D87 E88 L92 Y93 Q94 R128 | Y81-E90 PolarHBondContact OH-OE1 3.41Å; Y81-E90 VanDerWaalsContact OH-OE1 3.12Å; T84-E90 WeakPolarHBondContact O-CG 3.39Å; D87-E90 PolarHBondContact O-N 2.92Å; E88-E90 VanDerWaalsContact C-N 3.31Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-Y93 WeakPolarHBondContact O-CB 3.38Å; E90-Y93 PolarHBondContact O-N 2.86Å; E90-Q94 WeakPolarHBondContact O-CG 3.25Å; E90-Q94 PolarHBondContact O-N 3.49Å; E90-R128 VanDerWaalsContact CD-NH1 3.25Å; E90-R128 IonicContact OE1-CZ 3.88Å; E90-R128 IonicContact OE1-NH1 3.43Å; E90-R128 PolarHBondContact OE1-NH1 2.8Å; E90-R128 IonicContact OE1-NH2 3.81Å; E90-R128 IonicContact OE2-CZ 3.44Å; E90-R128 IonicContact OE2-NH1 3.4Å; E90-R128 PolarHBondContact OE2-NH1 3.48Å; E90-R128 IonicContact OE2-NH2 3.33Å; E90-R128 PolarHBondContact OE2-NH2 3.26Å |
| 91 | D | 94.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 168.6 | -76.8 | -48.6 | 0 | 0 | 0 | 111.8 | L33 R68 Q71 G72 E88 V89 Y93 Q94 L95 | L33-D91 HydrophobicContact CD2-CB 3.99Å; R68-D91 VanDerWaalsContact CD-O 3.24Å; R68-D91 WeakPolarHBondContact CD-O 3.46Å; R68-D91 IonicContact CZ-OD1 3.11Å; R68-D91 IonicContact NE-OD1 3.22Å; R68-D91 PolarHBondContact NE-OD1 3.44Å; R68-D91 IonicContact NH2-OD1 3.57Å; R68-D91 PolarHBondContact NH2-OD1 3.42Å; Q71-D91 PolarHBondContact N-OD2 3.23Å; G72-D91 PolarHBondContact N-OD2 3.12Å; E88-D91 PolarHBondContact O-N 3.27Å; V89-D91 VanDerWaalsContact C-N 3.32Å; D91-Y93 VanDerWaalsContact C-N 3.34Å; D91-Q94 PolarHBondContact O-N 3.16Å; D91-L95 WeakPolarHBondContact O-CB 3.35Å; D91-L95 PolarHBondContact O-N 2.92Å |
| 92 | L | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -43 | 172.6 | 178.4 | 63.3 | 0 | 0 | 0 | 111.3 | L6 L33 E88 V89 E90 Q94 L95 L96 V122 V125 | L6-L92 HydrophobicContact CD1-CD1 4.02Å; L6-L92 HydrophobicContact CD2-CD1 3.72Å; L33-L92 HydrophobicContact CD1-CB 3.82Å; L33-L92 HydrophobicContact CD1-CD1 4.21Å; E88-L92 PolarHBondContact O-N 3.01Å; V89-L92 WeakPolarHBondContact O-CB 3.42Å; V89-L92 PolarHBondContact O-N 2.85Å; E90-L92 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-L96 HydrophobicContact CD1-CD1 3.86Å; L92-L96 HydrophobicContact CD1-CG 3.98Å; L92-L96 HydrophobicContact CG-CD1 3.98Å; L92-L96 HydrophobicContact CG-CG 4.42Å; L92-L96 WeakPolarHBondContact O-CB 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 2.86Å; L92-V122 HydrophobicContact CD2-CG2 3.99Å; L92-V125 HydrophobicContact CD2-CG2 4.29Å; L92-V125 HydrophobicContact CG-CG1 4.48Å; L92-V125 HydrophobicContact CG-CG2 4.44Å |
| 93 | Y | 97.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56 | -50.7 | 174.9 | 177.7 | -86.1 | 0 | 0 | 0 | 111.5 | V89 E90 D91 L95 L96 Y97 V125 R128 L129 | V89-Y93 PolarHBondContact O-N 3.1Å; E90-Y93 WeakPolarHBondContact O-CB 3.38Å; E90-Y93 PolarHBondContact O-N 2.86Å; D91-Y93 VanDerWaalsContact C-N 3.34Å; Y93-L95 VanDerWaalsContact C-N 3.34Å; Y93-L95 PolarHBondContact O-N 2.81Å; Y93-L96 PolarHBondContact O-N 2.94Å; Y93-Y97 VanDerWaalsContact O-CB 3.29Å; Y93-Y97 WeakPolarHBondContact O-CB 3.19Å; Y93-Y97 PolarHBondContact O-N 3.35Å; Y93-V125 HydrophobicContact CD2-CG1 4.11Å; Y93-R128 HydrophobicContact CD2-CB 4.24Å; Y93-R128 HydrophobicContact CE2-CB 3.75Å; Y93-L129 HydrophobicContact CD2-CD1 4.26Å; Y93-L129 HydrophobicContact CD2-CD2 4.07Å; Y93-L129 HydrophobicContact CD2-CG 3.93Å; Y93-L129 HydrophobicContact CE1-CD2 4.37Å; Y93-L129 HydrophobicContact CE2-CD1 4.39Å; Y93-L129 HydrophobicContact CE2-CD2 3.39Å; Y93-L129 HydrophobicContact CE2-CG 3.62Å |
| 94 | Q | 97.7 | Very high | 95.8 | Very high | 85 Ų | 85 | 50 Ų | 50 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | -179.6 | -65.1 | -59.5 | -34 | 0 | 0 | 112.4 | E90 D91 L92 L98 | E90-Q94 WeakPolarHBondContact O-CG 3.25Å; E90-Q94 PolarHBondContact O-N 3.49Å; D91-Q94 PolarHBondContact O-N 3.16Å; L92-Q94 PolarHBondContact O-N 3.33Å; Q94-L98 PolarHBondContact O-N 3.43Å; Q94-L98 VanDerWaalsContact O-N 3.1Å |
| 95 | L | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -50.5 | 175.8 | 176 | 58.5 | 0 | 0 | 0 | 111.1 | A31 L33 R68 D91 L92 Y93 Y97 L98 V99 | A31-L95 HydrophobicContact CB-CD2 4.04Å; A31-L95 HydrophobicContact CB-CG 4.24Å; L33-L95 HydrophobicContact CD2-CD2 4.13Å; L33-L95 HydrophobicContact CG-CD2 4Å; R68-L95 HydrophobicContact CB-CB 4.13Å; R68-L95 HydrophobicContact CB-CD1 4.12Å; R68-L95 HydrophobicContact CB-CD2 4.4Å; R68-L95 HydrophobicContact CB-CG 4.45Å; D91-L95 WeakPolarHBondContact O-CB 3.35Å; D91-L95 PolarHBondContact O-N 2.92Å; L92-L95 PolarHBondContact O-N 3.49Å; Y93-L95 VanDerWaalsContact C-N 3.34Å; Y93-L95 PolarHBondContact O-N 2.81Å; L95-Y97 VanDerWaalsContact C-N 3.34Å; L95-Y97 PolarHBondContact O-N 3.41Å; L95-L98 WeakPolarHBondContact O-CB 3.36Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-V99 HydrophobicContact CD1-CG2 4.48Å; L95-V99 WeakPolarHBondContact O-CG2 3.14Å; L95-V99 PolarHBondContact O-N 2.86Å; L95-V99 VanDerWaalsContact O-N 3.1Å |
| 96 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -34.1 | -178.9 | -71 | 179.2 | 0 | 0 | 0 | 112.4 | V4 L6 L92 Y93 V99 K100 V108 V125 L129 | V4-L96 HydrophobicContact CG1-CD2 3.66Å; L6-L96 HydrophobicContact CD2-CD2 4.04Å; L92-L96 HydrophobicContact CD1-CD1 3.86Å; L92-L96 HydrophobicContact CD1-CG 3.98Å; L92-L96 HydrophobicContact CG-CD1 3.98Å; L92-L96 HydrophobicContact CG-CG 4.42Å; L92-L96 WeakPolarHBondContact O-CB 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 2.86Å; Y93-L96 PolarHBondContact O-N 2.94Å; L96-V99 PolarHBondContact O-N 3.3Å; L96-K100 WeakPolarHBondContact O-CB 3.29Å; L96-K100 PolarHBondContact O-N 3.46Å; L96-V108 HydrophobicContact CD1-CG1 4.28Å; L96-V108 HydrophobicContact CD1-CG2 4.07Å; L96-V108 HydrophobicContact CD2-CG1 4.24Å; L96-V108 HydrophobicContact CD2-CG2 4.1Å; L96-V125 HydrophobicContact CB-CG1 4.44Å; L96-V125 HydrophobicContact CD1-CG1 3.71Å; L96-L129 HydrophobicContact CB-CD1 3.53Å |
| 97 | Y | 98.4 | Very high | 96.8 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 171.1 | -178.7 | -94.4 | 0 | 0 | 0 | 111.2 | Y93 L95 V99 K100 E101 L129 | Y93-Y97 VanDerWaalsContact O-CB 3.29Å; Y93-Y97 WeakPolarHBondContact O-CB 3.19Å; Y93-Y97 PolarHBondContact O-N 3.35Å; L95-Y97 VanDerWaalsContact C-N 3.34Å; L95-Y97 PolarHBondContact O-N 3.41Å; Y97-V99 PolarHBondContact O-N 3.02Å; Y97-K100 WeakPolarHBondContact O-CB 3.26Å; Y97-K100 PolarHBondContact O-N 2.93Å; Y97-E101 HydrophobicContact CD1-CG 4.32Å; Y97-E101 HydrophobicContact CE1-CG 3.87Å; Y97-E101 HydrophobicContact CE2-CG 4.49Å; Y97-E101 WeakPolarHBondContact O-CG 2.73Å; Y97-E101 PolarHBondContact O-N 3.04Å; Y97-L129 HydrophobicContact CD2-CD2 3.8Å; Y97-L129 HydrophobicContact CG-CD2 4.44Å |
| 98 | L | 98.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59 | -44.8 | 177.2 | 175.8 | 65.7 | 0 | 0 | 0 | 112.3 | Y66 Q94 L95 K100 E101 K102 | Y66-L98 HydrophobicContact CD1-CD2 4.21Å; Y66-L98 HydrophobicContact CD1-CG 4.44Å; Q94-L98 PolarHBondContact O-N 3.43Å; Q94-L98 VanDerWaalsContact O-N 3.1Å; L95-L98 WeakPolarHBondContact O-CB 3.36Å; L95-L98 PolarHBondContact O-N 3.38Å; L98-K100 VanDerWaalsContact C-N 3.35Å; L98-E101 PolarHBondContact O-N 3.03Å; L98-K102 HydrophobicContact CD1-CD 3.96Å; L98-K102 HydrophobicContact CD1-CG 4.41Å; L98-K102 HydrophobicContact CG-CD 4.36Å; L98-K102 PolarHBondContact O-N 2.91Å; L98-K102 VanDerWaalsContact O-N 3.15Å |
| 99 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | V4 A29 A31 Y66 L95 L96 Y97 K102 E103 I105 | V4-V99 HydrophobicContact CB-CG1 3.94Å; V4-V99 HydrophobicContact CG2-CG1 3.81Å; V4-V99 HydrophobicContact CG2-CG2 4.44Å; A29-V99 HydrophobicContact CB-CG1 3.96Å; A31-V99 HydrophobicContact CB-CG2 4.44Å; Y66-V99 HydrophobicContact CD1-CG2 4.27Å; Y66-V99 HydrophobicContact CD2-CG1 4.26Å; Y66-V99 HydrophobicContact CD2-CG2 3.68Å; Y66-V99 HydrophobicContact CE2-CG1 4.38Å; Y66-V99 HydrophobicContact CE2-CG2 4.4Å; Y66-V99 HydrophobicContact CG-CG2 3.59Å; L95-V99 HydrophobicContact CD1-CG2 4.48Å; L95-V99 WeakPolarHBondContact O-CG2 3.14Å; L95-V99 PolarHBondContact O-N 2.86Å; L95-V99 VanDerWaalsContact O-N 3.1Å; L96-V99 PolarHBondContact O-N 3.3Å; Y97-V99 PolarHBondContact O-N 3.02Å; V99-K102 PolarHBondContact O-N 2.72Å; V99-E103 HydrophobicContact CG1-CB 4.24Å; V99-E103 HydrophobicContact CG1-CG 4.05Å; V99-E103 WeakPolarHBondContact O-CB 3.42Å; V99-E103 PolarHBondContact O-N 3.44Å; V99-I105 HydrophobicContact CB-CD1 4.35Å; V99-I105 HydrophobicContact CG1-CD1 4.11Å; V99-I105 HydrophobicContact CG1-CG1 4.48Å; V99-I105 HydrophobicContact CG1-CG2 4.08Å |
| 100 | K | 98.1 | Very high | 97.6 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.8 | -48.5 | 174.7 | -171.7 | -175.5 | 175.9 | -170.8 | 0 | 112.2 | L96 Y97 L98 K102 A104 I105 L129 L131 | L96-K100 WeakPolarHBondContact O-CB 3.29Å; L96-K100 PolarHBondContact O-N 3.46Å; Y97-K100 WeakPolarHBondContact O-CB 3.26Å; Y97-K100 PolarHBondContact O-N 2.93Å; L98-K100 VanDerWaalsContact C-N 3.35Å; K100-K102 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 3.41Å; K100-A104 VanDerWaalsContact O-CA 3.24Å; K100-A104 WeakPolarHBondContact O-CA 3.47Å; K100-A104 PolarHBondContact O-N 3.31Å; K100-I105 HydrophobicContact CB-CD1 4.43Å; K100-I105 HydrophobicContact CB-CG1 3.98Å; K100-I105 HydrophobicContact CG-CG1 4.29Å; K100-L129 PolarHBondContact NZ-O 3.32Å; K100-L131 HydrophobicContact CD-CD2 4.12Å; K100-L131 HydrophobicContact CG-CD2 4.33Å |
| 101 | E | 98.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 42.5 Ų | 42.5 | 59% | 0.593 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.4 | -35.6 | 179.4 | -70.5 | -62.9 | 104.3 | 0 | 0 | 112.7 | Y97 L98 | Y97-E101 HydrophobicContact CD1-CG 4.32Å; Y97-E101 HydrophobicContact CE1-CG 3.87Å; Y97-E101 HydrophobicContact CE2-CG 4.49Å; Y97-E101 WeakPolarHBondContact O-CG 2.73Å; Y97-E101 PolarHBondContact O-N 3.04Å; L98-E101 PolarHBondContact O-N 3.03Å |
| 102 | K | 97.8 | Very high | 97.2 | Very high | 130 Ų | 130 | 42.1 Ų | 42.1 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -85.9 | -39.6 | -175.9 | -73.9 | -176.4 | 168.2 | -174.1 | 0 | 114.5 | Y66 L98 V99 K100 | Y66-K102 HydrophobicContact CE1-CB 4.48Å; Y66-K102 HydrophobicContact CE1-CD 3.46Å; Y66-K102 VanDerWaalsContact CE1-CD 3.46Å; L98-K102 HydrophobicContact CD1-CD 3.96Å; L98-K102 HydrophobicContact CD1-CG 4.41Å; L98-K102 HydrophobicContact CG-CD 4.36Å; L98-K102 PolarHBondContact O-N 2.91Å; L98-K102 VanDerWaalsContact O-N 3.15Å; V99-K102 PolarHBondContact O-N 2.72Å; K100-K102 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 3.41Å |
| 103 | E | 97.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 23% | 0.229 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -110.1 | -7 | -169.5 | -57.5 | -64.3 | 164 | 0 | 0 | 113 | V28 A29 Y66 V99 I105 | V28-E103 HydrophobicContact CG2-CB 4.25Å; A29-E103 HydrophobicContact CB-CG 3.96Å; Y66-E103 HydrophobicContact CE2-CG 3.81Å; Y66-E103 PolarHBondContact OH-OE1 2.97Å; V99-E103 HydrophobicContact CG1-CB 4.24Å; V99-E103 HydrophobicContact CG1-CG 4.05Å; V99-E103 WeakPolarHBondContact O-CB 3.42Å; V99-E103 PolarHBondContact O-N 3.44Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 HydrophobicContact CB-CG2 3.97Å; E103-I105 PolarHBondContact O-N 2.85Å |
| 104 | A | 97.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | trans | 52 | 49.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | K100 | K100-A104 VanDerWaalsContact O-CA 3.24Å; K100-A104 WeakPolarHBondContact O-CA 3.47Å; K100-A104 PolarHBondContact O-N 3.31Å | ||
| 105 | I | 98.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -68.5 | 151.1 | 176.5 | 59.4 | 164.1 | 0 | 0 | 0 | 111.4 | V4 V28 V99 K100 E103 L131 | V4-I105 HydrophobicContact CB-CD1 3.84Å; V4-I105 HydrophobicContact CB-CG2 4.13Å; V4-I105 HydrophobicContact CG1-CD1 3.29Å; V28-I105 HydrophobicContact CG2-CG2 3.68Å; V99-I105 HydrophobicContact CB-CD1 4.35Å; V99-I105 HydrophobicContact CG1-CD1 4.11Å; V99-I105 HydrophobicContact CG1-CG1 4.48Å; V99-I105 HydrophobicContact CG1-CG2 4.08Å; K100-I105 HydrophobicContact CB-CD1 4.43Å; K100-I105 HydrophobicContact CB-CG1 3.98Å; K100-I105 HydrophobicContact CG-CG1 4.29Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 HydrophobicContact CB-CG2 3.97Å; E103-I105 PolarHBondContact O-N 2.85Å; I105-L131 HydrophobicContact CD1-CD1 3.89Å; I105-L131 HydrophobicContact CD1-CD2 4.21Å; I105-L131 HydrophobicContact CG1-CD2 3.99Å; I105-L131 VanDerWaalsContact O-CD2 3.31Å; I105-L131 WeakPolarHBondContact O-CD2 3.39Å | ||
| 106 | E | 98.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 42.4 Ų | 42.4 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | trans | -114.3 | -16.7 | 177.9 | -60.2 | 167.2 | 105.3 | 0 | 0 | 111.3 | M1 K2 L131 Q132 | M1-E106 WeakPolarHBondContact CA-OE2 3.19Å; M1-E106 HydrophobicContact CB-CB 4.04Å; M1-E106 HydrophobicContact CG-CB 4.07Å; M1-E106 HydrophobicContact SD-CB 4.39Å; K2-E106 PolarHBondContact N-OE2 2.89Å; K2-E106 PolarHBondContact O-N 2.76Å; E106-L131 WeakPolarHBondContact O-CA 3.02Å; E106-Q132 PolarHBondContact O-N 3.42Å | ||
| 107 | A | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 159 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113 | M1 K2 V3 V4 Q132 L134 | M1-A107 HydrophobicContact CB-CB 4.21Å; M1-A107 HydrophobicContact CE-CB 4.13Å; M1-A107 HydrophobicContact SD-CB 3.93Å; K2-A107 PolarHBondContact O-N 3.38Å; V3-A107 WeakPolarHBondContact CA-O 3.1Å; V3-A107 HydrophobicContact CG2-CB 3.98Å; V4-A107 PolarHBondContact N-O 2.96Å; V4-A107 VanDerWaalsContact N-O 3.07Å; A107-Q132 CarbonylContact C-O 3.53Å; A107-Q132 WeakPolarHBondContact CA-O 3.31Å; A107-Q132 HydrophobicContact CB-CB 4.07Å; A107-Q132 WeakPolarHBondContact CB-O 3.31Å; A107-L134 HydrophobicContact CB-CD1 3.85Å; A107-L134 HydrophobicContact CB-CG 4.08Å |
| 108 | V | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V4 L6 L96 V110 V122 L131 Q132 L134 | V4-V108 HydrophobicContact CG1-CB 4.27Å; V4-V108 HydrophobicContact CG1-CG1 4.16Å; V4-V108 HydrophobicContact CG1-CG2 3.88Å; V4-V108 WeakPolarHBondContact O-CA 3.4Å; L6-V108 HydrophobicContact CD1-CG1 3.68Å; L6-V108 HydrophobicContact CG-CG1 3.7Å; L96-V108 HydrophobicContact CD1-CG1 4.28Å; L96-V108 HydrophobicContact CD1-CG2 4.07Å; L96-V108 HydrophobicContact CD2-CG1 4.24Å; L96-V108 HydrophobicContact CD2-CG2 4.1Å; V108-V110 HydrophobicContact CG1-CG2 4.16Å; V108-V122 HydrophobicContact CG1-CG1 4.35Å; V108-L131 HydrophobicContact CG2-CB 4.19Å; V108-L131 HydrophobicContact CG2-CD1 3.73Å; V108-Q132 PolarHBondContact N-O 3.06Å; V108-L134 PolarHBondContact O-N 2.94Å |
| 109 | S | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.6 | 173 | 160.3 | 0 | 0 | 0 | 0 | 110.7 | V4 L6 N16 | V4-S109 PolarHBondContact O-N 2.84Å; L6-S109 WeakPolarHBondContact CB-O 3.47Å; L6-S109 PolarHBondContact N-O 3.06Å; N16-S109 PolarHBondContact ND2-OG 3.43Å |
| 110 | V | 95.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | trans | -131 | 126.4 | -176.7 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | L6 N16 V108 A112 V122 L134 | L6-V110 HydrophobicContact CD1-CG2 4.28Å; N16-V110 PolarHBondContact ND2-N 2.92Å; N16-V110 PolarHBondContact ND2-O 3.4Å; N16-V110 VanDerWaalsContact ND2-O 3.16Å; N16-V110 PolarHBondContact OD1-O 2.83Å; V108-V110 HydrophobicContact CG1-CG2 4.16Å; V110-A112 VanDerWaalsContact C-N 3.31Å; V110-A112 HydrophobicContact CG1-CB 4.2Å; V110-A112 PolarHBondContact O-N 3.49Å; V110-V122 HydrophobicContact CG1-CG2 4.14Å; V110-V122 HydrophobicContact CG2-CB 4.18Å; V110-V122 HydrophobicContact CG2-CG1 3.47Å; V110-V122 VanDerWaalsContact CG2-CG1 3.47Å; V110-V122 HydrophobicContact CG2-CG2 4.35Å; V110-L134 PolarHBondContact N-O 3.26Å | ||
| 111 | G | 92.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 19% | 0.186 | 19% | 0.191 | C | C | . | . | trans | -87 | 37.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D12 | D12-G111 WeakPolarHBondContact CB-O 3.14Š| ||
| 112 | A | 89.9 | Confident | 92.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | trans | -84 | 131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V110 Q118 W138 | V110-A112 VanDerWaalsContact C-N 3.31Å; V110-A112 HydrophobicContact CG1-CB 4.2Å; V110-A112 PolarHBondContact O-N 3.49Å; A112-Q118 HydrophobicContact CB-CB 4.42Å; A112-W138 HydrophobicContact CB-CE3 4.39Å; A112-W138 PolarHBondContact O-N 3.45Å | ||
| 113 | I | 88 | Confident | 92.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -105.2 | -49.9 | 178.6 | -49.6 | 171.1 | 0 | 0 | 0 | 111.3 | D12 L137 W138 R139 L145 M149 C195 E197 | D12-I113 HydrophobicContact CB-CD1 4.4Å; D12-I113 VanDerWaalsContact OD1-CD1 3.23Å; D12-I113 WeakPolarHBondContact OD1-CD1 3.42Å; I113-L137 HydrophobicContact CG1-CB 3.88Å; I113-L137 HydrophobicContact CG1-CD1 4.26Å; I113-W138 VanDerWaalsContact C-CZ3 3.5Å; I113-W138 CarbonylContact O-C 3.54Å; I113-W138 WeakPolarHBondContact O-CA 3.37Å; I113-W138 WeakPolarHBondContact O-CZ3 3.48Å; I113-R139 PolarHBondContact O-N 2.82Å; I113-L145 HydrophobicContact CB-CD2 4.39Å; I113-L145 HydrophobicContact CD1-CD2 3.47Å; I113-L145 VanDerWaalsContact CD1-CD2 3.47Å; I113-L145 HydrophobicContact CG1-CD2 3.81Å; I113-L145 HydrophobicContact CG2-CD2 3.68Å; I113-M149 HydrophobicContact CD1-CE 4.37Å; I113-C195 HydrophobicContact CD1-CB 3.75Å; I113-E197 VanDerWaalsContact CB-CD 3.43Å; I113-E197 HydrophobicContact CB-CG 4.13Å; I113-E197 VanDerWaalsContact CB-OE1 3.26Å; I113-E197 WeakPolarHBondContact CB-OE1 3.45Å; I113-E197 VanDerWaalsContact CD1-OE1 3.24Å; I113-E197 WeakPolarHBondContact CD1-OE1 3.44Å; I113-E197 WeakPolarHBondContact CG1-OE1 3.34Å; I113-E197 PolarHBondContact N-OE2 2.97Å |
| 114 | L | 84.8 | Confident | 91.9 | Very high | 71 Ų | 71 | 23.5 Ų | 23.5 | 37% | 0.372 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -133.4 | -13.8 | -175.8 | -166.4 | 65.2 | 0 | 0 | 0 | 115.6 | D116 W138 E197 | L114-D116 PolarHBondContact O-N 3.33Å; L114-W138 VanDerWaalsContact N-CZ3 3.34Å; L114-W138 WeakPolarHBondContact O-CH2 3.27Å; L114-W138 WeakPolarHBondContact O-CZ3 3.35Å; L114-E197 HydrophobicContact CB-CB 4.39Å; L114-E197 HydrophobicContact CB-CG 3.97Å; L114-E197 PolarHBondContact N-OE2 3.37Å |
| 115 | S | 85.6 | Confident | 91.8 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 22% | 0.217 | 11% | 0.11 | C | C | . | . | trans | -70.1 | 105.2 | 170.8 | -174.7 | 0 | 0 | 0 | 0 | 115.2 | Y117 Q118 R119 W138 | S115-Y117 PolarHBondContact O-N 2.96Å; S115-Q118 PolarHBondContact OG-N 2.95Å; S115-R119 PolarHBondContact O-N 3.4Å; S115-W138 VanDerWaalsContact N-CZ3 3.28Å; S115-W138 VanDerWaalsContact O-CZ3 3.31Å; S115-W138 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 116 | D | 83.4 | Confident | 91.7 | Very high | 37 Ų | 37 | 20.3 Ų | 20.3 | 20% | 0.198 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -33 | 170.6 | -97.3 | -31 | 0 | 0 | 0 | 111.1 | R79 L114 Q118 R119 V120 W138 | R79-D116 IonicContact NH2-OD2 3.4Å; L114-D116 PolarHBondContact O-N 3.33Å; D116-Q118 PolarHBondContact O-N 2.74Å; D116-R119 PolarHBondContact O-N 3.41Å; D116-R119 IonicContact OD1-CZ 3.61Å; D116-R119 IonicContact OD1-NE 2.75Å; D116-R119 PolarHBondContact OD1-NE 3.39Å; D116-R119 IonicContact OD1-NH2 4Å; D116-R119 PolarHBondContact OD1-NH2 3.1Å; D116-V120 WeakPolarHBondContact O-CB 3.31Å; D116-V120 VanDerWaalsContact O-CG2 3.29Å; D116-V120 WeakPolarHBondContact O-CG2 3.2Å; D116-V120 PolarHBondContact O-N 3.22Å; D116-W138 HydrophobicContact CB-CH2 4.31Å; D116-W138 VanDerWaalsContact N-CH2 3.31Å; D116-W138 WeakPolarHBondContact OD1-CZ2 3.49Å |
| 117 | Y | 85.2 | Confident | 91.4 | Very high | 36 Ų | 36 | 19.1 Ų | 19.1 | 14% | 0.141 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 179.8 | -178.1 | -83.7 | 0 | 0 | 0 | 111.7 | M45 S115 R121 | M45-Y117 HydrophobicContact CG-CD1 4.4Å; M45-Y117 HydrophobicContact CG-CE1 3.74Å; M45-Y117 HydrophobicContact SD-CD1 3.63Å; M45-Y117 HydrophobicContact SD-CE1 3.5Å; M45-Y117 VanDerWaalsContact SD-CE1 3.5Å; S115-Y117 PolarHBondContact O-N 2.96Å; Y117-R121 VanDerWaalsContact CE2-NH1 3.35Å; Y117-R121 WeakPolarHBondContact O-CD 3.48Å; Y117-R121 WeakPolarHBondContact O-CG 3.21Å; Y117-R121 PolarHBondContact O-N 2.89Å; Y117-R121 PolarHBondContact O-NH1 3.06Å; Y117-R121 PolarHBondContact OH-NE 3.09Å |
| 118 | Q | 86.4 | Confident | 91.1 | Very high | 50 Ų | 50 | 22.8 Ų | 22.8 | 23% | 0.234 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67 | -47.8 | 178 | -73 | 173.1 | -23 | 0 | 0 | 111.4 | M45 A112 S115 D116 V120 R121 V122 | M45-Q118 PolarHBondContact O-NE2 3.45Å; M45-Q118 VanDerWaalsContact O-NE2 3.15Å; M45-Q118 HydrophobicContact SD-CB 4.36Å; M45-Q118 HydrophobicContact SD-CG 4Å; A112-Q118 HydrophobicContact CB-CB 4.42Å; S115-Q118 PolarHBondContact OG-N 2.95Å; D116-Q118 PolarHBondContact O-N 2.74Å; Q118-V120 PolarHBondContact O-N 2.96Å; Q118-R121 PolarHBondContact O-N 3.13Å; Q118-V122 WeakPolarHBondContact O-CG2 3.34Å; Q118-V122 PolarHBondContact O-N 3.14Å; Q118-V122 VanDerWaalsContact O-N 3.12Å |
| 119 | R | 88.5 | Confident | 91 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | -178.4 | -178.2 | -176.3 | 61.7 | 79.1 | 1.7 | 111.7 | S115 D116 R121 V122 E123 H422 | S115-R119 PolarHBondContact O-N 3.4Å; D116-R119 PolarHBondContact O-N 3.41Å; D116-R119 IonicContact OD1-CZ 3.61Å; D116-R119 IonicContact OD1-NE 2.75Å; D116-R119 PolarHBondContact OD1-NE 3.39Å; D116-R119 IonicContact OD1-NH2 4Å; D116-R119 PolarHBondContact OD1-NH2 3.1Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.05Å; R119-V122 PolarHBondContact O-N 3.46Å; R119-E123 HydrophobicContact CG-CG 4.22Å; R119-E123 IonicContact CZ-OE1 3.43Å; R119-E123 VanDerWaalsContact NH1-CD 3.29Å; R119-E123 IonicContact NH1-OE1 3.23Å; R119-E123 PolarHBondContact NH1-OE1 2.88Å; R119-E123 IonicContact NH1-OE2 3.11Å; R119-E123 PolarHBondContact NH1-OE2 2.72Å; R119-E123 WeakPolarHBondContact O-CB 3.45Å; R119-E123 WeakPolarHBondContact O-CG 3.16Å; R119-E123 PolarHBondContact O-N 3.36Å; R119-H422 PolarHBondContact NH1-O 3.18Å |
| 120 | V | 87.9 | Confident | 90.9 | Very high | 24 Ų | 24 | 26.2 Ų | 26.2 | 15% | 0.145 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | -175.7 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | D116 Q118 E123 N124 | D116-V120 WeakPolarHBondContact O-CB 3.31Å; D116-V120 VanDerWaalsContact O-CG2 3.29Å; D116-V120 WeakPolarHBondContact O-CG2 3.2Å; D116-V120 PolarHBondContact O-N 3.22Å; Q118-V120 PolarHBondContact O-N 2.96Å; V120-E123 PolarHBondContact O-N 2.88Å; V120-N124 WeakPolarHBondContact O-CB 3.44Å; V120-N124 PolarHBondContact O-N 3Å |
| 121 | R | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 177.8 | -75.7 | 165.3 | 179.8 | 67.7 | 7.6 | 112.1 | M45 D76 S78 Y81 V89 Y117 Q118 R119 N124 V125 | M45-R121 HydrophobicContact CE-CB 3.7Å; M45-R121 HydrophobicContact SD-CB 4.09Å; M45-R121 WeakPolarHBondContact SD-CD 3.4Å; M45-R121 HydrophobicContact SD-CG 4.32Å; D76-R121 PolarHBondContact O-NH2 3.43Å; S78-R121 PolarHBondContact O-NH2 2.83Å; Y81-R121 HydrophobicContact CD2-CG 3.95Å; Y81-R121 HydrophobicContact CG-CG 3.96Å; V89-R121 HydrophobicContact CG1-CB 4.26Å; V89-R121 HydrophobicContact CG2-CB 3.84Å; V89-R121 HydrophobicContact CG2-CG 3.62Å; Y117-R121 VanDerWaalsContact CE2-NH1 3.35Å; Y117-R121 WeakPolarHBondContact O-CD 3.48Å; Y117-R121 WeakPolarHBondContact O-CG 3.21Å; Y117-R121 PolarHBondContact O-N 2.89Å; Y117-R121 PolarHBondContact O-NH1 3.06Å; Y117-R121 PolarHBondContact OH-NE 3.09Å; Q118-R121 PolarHBondContact O-N 3.13Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.05Å; R121-N124 PolarHBondContact O-N 3.01Å; R121-V125 PolarHBondContact O-N 2.91Å; R121-V125 VanDerWaalsContact O-N 3.11Å |
| 122 | V | 94.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.2 | -40.6 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | L6 M45 L92 V108 V110 Q118 R119 N124 V125 C126 | L6-V122 HydrophobicContact CD1-CG1 4.19Å; L6-V122 HydrophobicContact CD1-CG2 4.25Å; M45-V122 HydrophobicContact CE-CG2 4.41Å; L92-V122 HydrophobicContact CD2-CG2 3.99Å; V108-V122 HydrophobicContact CG1-CG1 4.35Å; V110-V122 HydrophobicContact CG1-CG2 4.14Å; V110-V122 HydrophobicContact CG2-CB 4.18Å; V110-V122 HydrophobicContact CG2-CG1 3.47Å; V110-V122 VanDerWaalsContact CG2-CG1 3.47Å; V110-V122 HydrophobicContact CG2-CG2 4.35Å; Q118-V122 WeakPolarHBondContact O-CG2 3.34Å; Q118-V122 PolarHBondContact O-N 3.14Å; Q118-V122 VanDerWaalsContact O-N 3.12Å; R119-V122 PolarHBondContact O-N 3.46Å; V122-N124 VanDerWaalsContact C-N 3.31Å; V122-N124 PolarHBondContact O-N 3.34Å; V122-V125 PolarHBondContact O-N 2.68Å; V122-C126 WeakPolarHBondContact O-CB 3.03Å; V122-C126 PolarHBondContact O-N 3.19Å; V122-C126 PolarHBondContact O-SG 2.89Å |
| 123 | E | 93.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.5 | -75.4 | -173.9 | -176 | 0 | 0 | 111.7 | R119 V120 C126 L127 P133 Q424 S425 | R119-E123 HydrophobicContact CG-CG 4.22Å; R119-E123 IonicContact CZ-OE1 3.43Å; R119-E123 VanDerWaalsContact NH1-CD 3.29Å; R119-E123 IonicContact NH1-OE1 3.23Å; R119-E123 PolarHBondContact NH1-OE1 2.88Å; R119-E123 IonicContact NH1-OE2 3.11Å; R119-E123 PolarHBondContact NH1-OE2 2.72Å; R119-E123 WeakPolarHBondContact O-CB 3.45Å; R119-E123 WeakPolarHBondContact O-CG 3.16Å; R119-E123 PolarHBondContact O-N 3.36Å; V120-E123 PolarHBondContact O-N 2.88Å; E123-C126 PolarHBondContact O-N 3.09Å; E123-L127 VanDerWaalsContact O-CB 3.31Å; E123-L127 WeakPolarHBondContact O-CB 3.28Å; E123-L127 PolarHBondContact O-N 3.01Å; E123-P133 HydrophobicContact CG-CB 4.3Å; E123-P133 HydrophobicContact CG-CG 3.87Å; E123-Q424 HydrophobicContact CG-CB 4.14Å; E123-Q424 PolarHBondContact OE1-N 3.19Å; E123-Q424 VanDerWaalsContact OE1-N 3.1Å; E123-Q424 WeakPolarHBondContact OE2-CB 3.46Å; E123-Q424 PolarHBondContact OE2-N 3.03Å; E123-Q424 PolarHBondContact OE2-NE2 3.34Å; E123-Q424 VanDerWaalsContact OE2-NE2 3.1Å; E123-S425 PolarHBondContact OE1-N 3.38Å; E123-S425 PolarHBondContact OE1-OG 3.21Å |
| 124 | N | 93.2 | Very high | 91.9 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 176.3 | -177.7 | -72.7 | 0 | 0 | 0 | 112 | Y81 V120 R121 V122 C126 L127 R128 | Y81-N124 HydrophobicContact CD1-CB 4.15Å; Y81-N124 PolarHBondContact O-ND2 3.25Å; V120-N124 WeakPolarHBondContact O-CB 3.44Å; V120-N124 PolarHBondContact O-N 3Å; R121-N124 PolarHBondContact O-N 3.01Å; V122-N124 VanDerWaalsContact C-N 3.31Å; V122-N124 PolarHBondContact O-N 3.34Å; N124-C126 VanDerWaalsContact C-N 3.33Å; N124-C126 PolarHBondContact O-N 2.91Å; N124-L127 WeakPolarHBondContact O-CB 3.32Å; N124-L127 PolarHBondContact O-N 3.29Å; N124-R128 PolarHBondContact O-N 3.46Å; N124-R128 WeakPolarHBondContact OD1-CD 3.25Å |
| 125 | V | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | V89 L92 Y93 L96 R121 V122 L127 R128 L129 | V89-V125 HydrophobicContact CG1-CG2 3.61Å; L92-V125 HydrophobicContact CD2-CG2 4.29Å; L92-V125 HydrophobicContact CG-CG1 4.48Å; L92-V125 HydrophobicContact CG-CG2 4.44Å; Y93-V125 HydrophobicContact CD2-CG1 4.11Å; L96-V125 HydrophobicContact CB-CG1 4.44Å; L96-V125 HydrophobicContact CD1-CG1 3.71Å; R121-V125 PolarHBondContact O-N 2.91Å; R121-V125 VanDerWaalsContact O-N 3.11Å; V122-V125 PolarHBondContact O-N 2.68Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 2.87Å; V125-R128 PolarHBondContact O-N 2.98Å; V125-L129 HydrophobicContact CG1-CD1 3.82Å; V125-L129 HydrophobicContact CG1-CG 4.48Å; V125-L129 WeakPolarHBondContact O-CB 3.33Å; V125-L129 WeakPolarHBondContact O-CG 3.47Å; V125-L129 PolarHBondContact O-N 3.12Å |
| 126 | C | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.1 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | V122 E123 N124 L129 G130 L131 P133 | V122-C126 WeakPolarHBondContact O-CB 3.03Å; V122-C126 PolarHBondContact O-N 3.19Å; V122-C126 PolarHBondContact O-SG 2.89Å; E123-C126 PolarHBondContact O-N 3.09Å; N124-C126 VanDerWaalsContact C-N 3.33Å; N124-C126 PolarHBondContact O-N 2.91Å; C126-L129 CarbonylContact O-C 3.53Å; C126-L129 PolarHBondContact O-N 3.15Å; C126-G130 WeakPolarHBondContact O-CA 3.12Å; C126-G130 PolarHBondContact O-N 2.86Å; C126-L131 HydrophobicContact CB-CB 4.17Å; C126-L131 WeakPolarHBondContact CB-O 3.4Å; C126-L131 PolarHBondContact O-N 2.87Å; C126-P133 HydrophobicContact CB-CB 4.36Å; C126-P133 HydrophobicContact CB-CG 4.12Å |
| 127 | L | 91.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 22 Ų | 22 | 40% | 0.398 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 177.2 | -178.8 | 66.7 | 0 | 0 | 0 | 111.5 | E123 N124 V125 L129 G130 | E123-L127 VanDerWaalsContact O-CB 3.31Å; E123-L127 WeakPolarHBondContact O-CB 3.28Å; E123-L127 PolarHBondContact O-N 3.01Å; N124-L127 WeakPolarHBondContact O-CB 3.32Å; N124-L127 PolarHBondContact O-N 3.29Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 2.87Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 3.15Å; L127-G130 PolarHBondContact O-N 2.84Å |
| 128 | R | 93.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 20.4 Ų | 20.4 | 29% | 0.291 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.2 | -34.8 | 177.3 | -70.1 | 167 | 67 | -160.7 | 1.8 | 112.2 | E83 E90 Y93 N124 V125 | E83-R128 IonicContact OE1-NH2 2.77Å; E83-R128 PolarHBondContact OE1-NH2 3.01Å; E83-R128 VanDerWaalsContact OE1-NH2 3.09Å; E83-R128 IonicContact OE2-CZ 3.87Å; E83-R128 IonicContact OE2-NE 2.71Å; E83-R128 IonicContact OE2-NH2 3.81Å; E83-R128 PolarHBondContact OE2-NH2 2.95Å; E83-R128 VanDerWaalsContact OE2-NH2 3.11Å; E90-R128 VanDerWaalsContact CD-NH1 3.25Å; E90-R128 IonicContact OE1-CZ 3.88Å; E90-R128 IonicContact OE1-NH1 3.43Å; E90-R128 PolarHBondContact OE1-NH1 2.8Å; E90-R128 IonicContact OE1-NH2 3.81Å; E90-R128 IonicContact OE2-CZ 3.44Å; E90-R128 IonicContact OE2-NH1 3.4Å; E90-R128 PolarHBondContact OE2-NH1 3.48Å; E90-R128 IonicContact OE2-NH2 3.33Å; E90-R128 PolarHBondContact OE2-NH2 3.26Å; Y93-R128 HydrophobicContact CD2-CB 4.24Å; Y93-R128 HydrophobicContact CE2-CB 3.75Å; N124-R128 PolarHBondContact O-N 3.46Å; N124-R128 WeakPolarHBondContact OD1-CD 3.25Å; V125-R128 PolarHBondContact O-N 2.98Å |
| 129 | L | 96.5 | Very high | 94 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -88.9 | -3.4 | 178.6 | -66 | 177.1 | 0 | 0 | 0 | 113.8 | Y93 L96 Y97 K100 V125 C126 L127 L131 | Y93-L129 HydrophobicContact CD2-CD1 4.26Å; Y93-L129 HydrophobicContact CD2-CD2 4.07Å; Y93-L129 HydrophobicContact CD2-CG 3.93Å; Y93-L129 HydrophobicContact CE1-CD2 4.37Å; Y93-L129 HydrophobicContact CE2-CD1 4.39Å; Y93-L129 HydrophobicContact CE2-CD2 3.39Å; Y93-L129 HydrophobicContact CE2-CG 3.62Å; L96-L129 HydrophobicContact CB-CD1 3.53Å; Y97-L129 HydrophobicContact CD2-CD2 3.8Å; Y97-L129 HydrophobicContact CG-CD2 4.44Å; K100-L129 PolarHBondContact NZ-O 3.32Å; V125-L129 HydrophobicContact CG1-CD1 3.82Å; V125-L129 HydrophobicContact CG1-CG 4.48Å; V125-L129 WeakPolarHBondContact O-CB 3.33Å; V125-L129 WeakPolarHBondContact O-CG 3.47Å; V125-L129 PolarHBondContact O-N 3.12Å; C126-L129 CarbonylContact O-C 3.53Å; C126-L129 PolarHBondContact O-N 3.15Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 3.15Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 HydrophobicContact CB-CD1 3.83Å; L129-L131 HydrophobicContact CB-CG 3.89Å; L129-L131 HydrophobicContact CD1-CD1 4Å; L129-L131 PolarHBondContact O-N 2.83Å |
| 130 | G | 94.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 21.9 Ų | 21.9 | 66% | 0.66 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 38.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | C126 L127 | C126-G130 WeakPolarHBondContact O-CA 3.12Å; C126-G130 PolarHBondContact O-N 2.86Å; L127-G130 PolarHBondContact O-N 2.84Å |
| 131 | L | 97.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | trans | -105.8 | 151.7 | 176.6 | -61.3 | 172.8 | 0 | 0 | 0 | 110.3 | K100 I105 E106 V108 C126 L129 P133 | K100-L131 HydrophobicContact CD-CD2 4.12Å; K100-L131 HydrophobicContact CG-CD2 4.33Å; I105-L131 HydrophobicContact CD1-CD1 3.89Å; I105-L131 HydrophobicContact CD1-CD2 4.21Å; I105-L131 HydrophobicContact CG1-CD2 3.99Å; I105-L131 VanDerWaalsContact O-CD2 3.31Å; I105-L131 WeakPolarHBondContact O-CD2 3.39Å; E106-L131 WeakPolarHBondContact O-CA 3.02Å; V108-L131 HydrophobicContact CG2-CB 4.19Å; V108-L131 HydrophobicContact CG2-CD1 3.73Å; C126-L131 HydrophobicContact CB-CB 4.17Å; C126-L131 WeakPolarHBondContact CB-O 3.4Å; C126-L131 PolarHBondContact O-N 2.87Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 HydrophobicContact CB-CD1 3.83Å; L129-L131 HydrophobicContact CB-CG 3.89Å; L129-L131 HydrophobicContact CD1-CD1 4Å; L129-L131 PolarHBondContact O-N 2.83Å; L131-P133 WeakPolarHBondContact O-CD 3.42Å | ||
| 132 | Q | 96.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 26.9 Ų | 26.9 | 28% | 0.28 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.6 | 173.2 | 179.1 | 61.4 | 61.3 | 0 | 0 | 111 | M1 E106 A107 V108 L134 Q424 L426 | M1-Q132 HydrophobicContact CE-CB 4.41Å; M1-Q132 HydrophobicContact CE-CG 4.17Å; M1-Q132 HydrophobicContact SD-CB 4.09Å; M1-Q132 HydrophobicContact SD-CG 4.44Å; E106-Q132 PolarHBondContact O-N 3.42Å; A107-Q132 CarbonylContact C-O 3.53Å; A107-Q132 WeakPolarHBondContact CA-O 3.31Å; A107-Q132 HydrophobicContact CB-CB 4.07Å; A107-Q132 WeakPolarHBondContact CB-O 3.31Å; V108-Q132 PolarHBondContact N-O 3.06Å; Q132-L134 HydrophobicContact CG-CD2 3.97Å; Q132-Q424 PolarHBondContact NE2-O 3.24Å; Q132-L426 HydrophobicContact CG-CD1 4.28Å; Q132-L426 HydrophobicContact CG-CG 4.22Å |
| 133 | P | 96.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.1 | 171 | 22.3 | -24.4 | 0 | 0 | 0 | 111.2 | E123 C126 L131 S425 L426 | E123-P133 HydrophobicContact CG-CB 4.3Å; E123-P133 HydrophobicContact CG-CG 3.87Å; C126-P133 HydrophobicContact CB-CB 4.36Å; C126-P133 HydrophobicContact CB-CG 4.12Å; L131-P133 WeakPolarHBondContact O-CD 3.42Å; P133-S425 WeakPolarHBondContact O-CA 3.42Å; P133-L426 PolarHBondContact O-N 2.81Å |
| 134 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 98.6 | 179.6 | -53.4 | 176.6 | 0 | 0 | 0 | 109.4 | M1 V3 N16 A107 V108 V110 Q132 Y136 L426 | M1-L134 HydrophobicContact CE-CD2 4.03Å; V3-L134 HydrophobicContact CG1-CD1 4.11Å; V3-L134 HydrophobicContact CG2-CD1 3.66Å; N16-L134 PolarHBondContact ND2-O 2.99Å; A107-L134 HydrophobicContact CB-CD1 3.85Å; A107-L134 HydrophobicContact CB-CG 4.08Å; V108-L134 PolarHBondContact O-N 2.94Å; V110-L134 PolarHBondContact N-O 3.26Å; Q132-L134 HydrophobicContact CG-CD2 3.97Å; L134-Y136 HydrophobicContact CB-CD2 4.42Å; L134-Y136 HydrophobicContact CB-CE2 4Å; L134-L426 HydrophobicContact CD2-CB 3.94Å; L134-L426 HydrophobicContact CD2-CD1 3.69Å; L134-L426 HydrophobicContact CD2-CG 4.04Å |
| 135 | A | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | trans | -120.8 | 68.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L137 W138 L426 S427 | A135-L137 PolarHBondContact O-N 2.81Å; A135-W138 HydrophobicContact CB-CB 4.1Å; A135-W138 VanDerWaalsContact O-CB 3.24Å; A135-W138 WeakPolarHBondContact O-CB 3.26Å; A135-W138 PolarHBondContact O-N 2.83Å; A135-L426 CarbonylContact C-O 3.58Å; A135-L426 VanDerWaalsContact C-O 3.27Å; A135-L426 PolarHBondContact N-O 2.87Å; A135-S427 WeakPolarHBondContact O-CA 3.47Å; A135-S427 VanDerWaalsContact O-CB 3.22Å; A135-S427 WeakPolarHBondContact O-CB 3.38Å | ||
| 136 | Y | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.6 | -174.8 | -72.3 | -71.1 | 0 | 0 | 0 | 113.7 | N16 Q19 C20 A23 H25 L134 R140 H428 C458 | N16-Y136 WeakPolarHBondContact OD1-CB 3.26Å; N16-Y136 PolarHBondContact OD1-N 2.86Å; Q19-Y136 HydrophobicContact CB-CD2 3.74Å; Q19-Y136 HydrophobicContact CB-CG 3.78Å; C20-Y136 HydrophobicContact CB-CE2 4.38Å; A23-Y136 HydrophobicContact CB-CE1 4.38Å; A23-Y136 HydrophobicContact CB-CE2 4.42Å; A23-Y136 VanDerWaalsContact CB-OH 3.32Å; A23-Y136 WeakPolarHBondContact CB-OH 3.45Å; H25-Y136 PolarHBondContact NE2-OH 2.85Å; H25-Y136 VanDerWaalsContact NE2-OH 3.14Å; L134-Y136 HydrophobicContact CB-CD2 4.42Å; L134-Y136 HydrophobicContact CB-CE2 4Å; Y136-R140 WeakPolarHBondContact O-CD 3.14Å; Y136-H428 AromaticContact CD1-CD2 3.96Å; Y136-H428 AromaticContact CD1-CE1 3.85Å; Y136-H428 AromaticContact CD1-NE2 3.67Å; Y136-H428 PolarHBondContact O-CD2 3.38Å; Y136-H428 VanDerWaalsContact O-CD2 3.26Å; Y136-H428 PolarHBondContact O-N 3.42Å; Y136-C458 HydrophobicContact CD1-CB 4.31Å; Y136-C458 HydrophobicContact CE1-CB 3.91Å |
| 137 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -11.5 | -177.4 | -42.2 | -169.7 | 0 | 0 | 0 | 112.6 | D12 Y15 N16 Q19 I113 A135 R139 R140 L145 M149 | D12-L137 HydrophobicContact CB-CD1 4.26Å; D12-L137 WeakPolarHBondContact O-CD1 3.4Å; Y15-L137 HydrophobicContact CD1-CD1 4.1Å; Y15-L137 HydrophobicContact CD1-CD2 3.46Å; Y15-L137 VanDerWaalsContact CD1-CD2 3.46Å; Y15-L137 HydrophobicContact CD1-CG 4.44Å; Y15-L137 HydrophobicContact CE1-CD2 3.88Å; N16-L137 HydrophobicContact CB-CD1 4.1Å; N16-L137 HydrophobicContact CB-CD2 4.5Å; N16-L137 HydrophobicContact CB-CG 4.04Å; Q19-L137 HydrophobicContact CG-CD2 3.95Å; I113-L137 HydrophobicContact CG1-CB 3.88Å; I113-L137 HydrophobicContact CG1-CD1 4.26Å; A135-L137 PolarHBondContact O-N 2.81Å; L137-R139 PolarHBondContact O-N 3.25Å; L137-R140 WeakPolarHBondContact O-CB 3.42Å; L137-R140 WeakPolarHBondContact O-CG 3.48Å; L137-R140 PolarHBondContact O-N 2.9Å; L137-R140 VanDerWaalsContact O-N 3.15Å; L137-L145 HydrophobicContact CB-CD2 4.18Å; L137-L145 HydrophobicContact CD2-CD1 4.05Å; L137-M149 HydrophobicContact CD1-CE 4.05Å |
| 138 | W | 93.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 126.4 | -173.5 | -175.9 | -125 | 0 | 0 | 0 | 112.2 | A112 I113 L114 S115 D116 A135 R140 W429 | A112-W138 HydrophobicContact CB-CE3 4.39Å; A112-W138 PolarHBondContact O-N 3.45Å; I113-W138 VanDerWaalsContact C-CZ3 3.5Å; I113-W138 CarbonylContact O-C 3.54Å; I113-W138 WeakPolarHBondContact O-CA 3.37Å; I113-W138 WeakPolarHBondContact O-CZ3 3.48Å; L114-W138 VanDerWaalsContact N-CZ3 3.34Å; L114-W138 WeakPolarHBondContact O-CH2 3.27Å; L114-W138 WeakPolarHBondContact O-CZ3 3.35Å; S115-W138 VanDerWaalsContact N-CZ3 3.28Å; S115-W138 VanDerWaalsContact O-CZ3 3.31Å; S115-W138 WeakPolarHBondContact O-CZ3 3.39Å; D116-W138 HydrophobicContact CB-CH2 4.31Å; D116-W138 VanDerWaalsContact N-CH2 3.31Å; D116-W138 WeakPolarHBondContact OD1-CZ2 3.49Å; A135-W138 HydrophobicContact CB-CB 4.1Å; A135-W138 VanDerWaalsContact O-CB 3.24Å; A135-W138 WeakPolarHBondContact O-CB 3.26Å; A135-W138 PolarHBondContact O-N 2.83Å; W138-R140 PolarHBondContact O-N 3.31Å; W138-R140 VanDerWaalsContact O-N 3.17Å; W138-W429 AromaticContact CD1-CE3 3.73Å; W138-W429 AromaticContact NE1-CE3 3.92Å; W138-W429 AromaticContact NE1-CZ3 3.78Å; W138-W429 WeakPolarHBondContact O-CB 3.22Å |
| 139 | R | 91.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 28.6 Ų | 28.6 | 25% | 0.245 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 24.6 | -178.1 | -69 | -176.3 | 134.6 | -101.9 | -7.9 | 115.2 | I113 L137 W429 A484 | I113-R139 PolarHBondContact O-N 2.82Å; L137-R139 PolarHBondContact O-N 3.25Å; R139-W429 HydrophobicContact CB-CB 3.99Å; R139-W429 HydrophobicContact CB-CD2 3.63Å; R139-W429 HydrophobicContact CB-CE3 4.03Å; R139-W429 HydrophobicContact CB-CG 3.57Å; R139-W429 HydrophobicContact CG-CD2 4.19Å; R139-W429 HydrophobicContact CG-CE3 4.22Å; R139-A484 VanDerWaalsContact NH2-CA 3.29Å; R139-A484 PolarHBondContact NH2-O 3.41Å |
| 140 | R | 91.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 30 Ų | 30 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | trans | -74.7 | 150.5 | 169.1 | -67.2 | -162.8 | 66.8 | -162.7 | -6.5 | 110.8 | Y136 L137 W138 Q142 L145 E148 H428 | Y136-R140 WeakPolarHBondContact O-CD 3.14Å; L137-R140 WeakPolarHBondContact O-CB 3.42Å; L137-R140 WeakPolarHBondContact O-CG 3.48Å; L137-R140 PolarHBondContact O-N 2.9Å; L137-R140 VanDerWaalsContact O-N 3.15Å; W138-R140 PolarHBondContact O-N 3.31Å; W138-R140 VanDerWaalsContact O-N 3.17Å; R140-Q142 PolarHBondContact O-N 3.15Å; R140-L145 HydrophobicContact CB-CD2 4.4Å; R140-E148 IonicContact CZ-OE1 3.63Å; R140-E148 IonicContact CZ-OE2 2.9Å; R140-E148 IonicContact NH1-OE2 3.05Å; R140-E148 PolarHBondContact NH1-OE2 2.83Å; R140-E148 IonicContact NH2-OE1 3.48Å; R140-E148 PolarHBondContact NH2-OE1 3.11Å; R140-E148 IonicContact NH2-OE2 2.83Å; R140-E148 PolarHBondContact NH2-OE2 3.48Å; R140-H428 HydrophobicContact CG-CB 4.46Å | ||
| 141 | D | 90.9 | Very high | 94 | Very high | 102 Ų | 102 | 31.1 Ų | 31.1 | 55% | 0.545 | 17% | 0.166 | S | C | . | . | trans | -58.8 | 125.4 | 171.1 | 172.4 | -110.9 | 0 | 0 | 0 | 110.4 | E143 S144 L145 | D141-E143 VanDerWaalsContact C-N 3.34Å; D141-E143 PolarHBondContact O-N 3.21Å; D141-E143 PolarHBondContact OD1-N 3.01Å; D141-S144 WeakPolarHBondContact OD1-CB 3.13Å; D141-S144 PolarHBondContact OD1-N 2.98Å; D141-L145 WeakPolarHBondContact O-CB 3.35Å; D141-L145 PolarHBondContact O-N 2.92Å | ||
| 142 | Q | 92.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.3 | -31.5 | -171.9 | -63.7 | -170.8 | 30.4 | 0 | 0 | 112.4 | R140 L146 H193 I194 C195 | R140-Q142 PolarHBondContact O-N 3.15Å; Q142-L146 WeakPolarHBondContact O-CB 3.49Å; Q142-L146 PolarHBondContact O-N 2.92Å; Q142-H193 PolarHBondContact NE2-ND1 3.34Å; Q142-I194 HydrophobicContact CB-CB 4.12Å; Q142-C195 HydrophobicContact CB-CB 4.31Å; Q142-C195 HydrophobicContact CG-CB 4.29Å; Q142-C195 PolarHBondContact O-SG 3.48Å; Q142-C195 VanDerWaalsContact O-SG 3.33Å |
| 143 | E | 93.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 32.6 Ų | 32.6 | 40% | 0.402 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.9 | -49.4 | -179 | -169.5 | 179.2 | 164.2 | 0 | 0 | 111.3 | D141 L145 S147 K184 I194 | D141-E143 VanDerWaalsContact C-N 3.34Å; D141-E143 PolarHBondContact O-N 3.21Å; D141-E143 PolarHBondContact OD1-N 3.01Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-S147 WeakPolarHBondContact O-CB 3.4Å; E143-S147 PolarHBondContact O-N 2.86Å; E143-S147 VanDerWaalsContact O-N 3.1Å; E143-S147 PolarHBondContact O-OG 3.19Å; E143-K184 HydrophobicContact CG-CD 4.08Å; E143-K184 HydrophobicContact CG-CG 4.36Å; E143-K184 WeakPolarHBondContact OE1-CD 3.48Å; E143-K184 VanDerWaalsContact OE1-CE 3.27Å; E143-K184 WeakPolarHBondContact OE1-CE 3.36Å; E143-K184 IonicContact OE1-NZ 3.02Å; E143-K184 PolarHBondContact OE1-NZ 2.9Å; E143-I194 HydrophobicContact CB-CD1 3.92Å; E143-I194 HydrophobicContact CG-CD1 4.31Å |
| 144 | S | 91.9 | Very high | 93.3 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.2 | -46.2 | 171.6 | 164.4 | 0 | 0 | 0 | 0 | 110.6 | D141 S147 E148 | D141-S144 WeakPolarHBondContact OD1-CB 3.13Å; D141-S144 PolarHBondContact OD1-N 2.98Å; S144-S147 WeakPolarHBondContact O-CB 3.37Å; S144-S147 PolarHBondContact O-N 2.81Å; S144-E148 WeakPolarHBondContact O-CG 3.34Å; S144-E148 PolarHBondContact O-N 3.03Å; S144-E148 PolarHBondContact OG-OE1 2.78Å; S144-E148 VanDerWaalsContact OG-OE1 3.06Å |
| 145 | L | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | -178.2 | -178.8 | 62.5 | 0 | 0 | 0 | 112.6 | Y15 I113 L137 R140 D141 E143 S147 E148 M149 | Y15-L145 HydrophobicContact CD1-CD1 3.75Å; Y15-L145 HydrophobicContact CE1-CD1 3.47Å; Y15-L145 VanDerWaalsContact CE1-CD1 3.47Å; I113-L145 HydrophobicContact CB-CD2 4.39Å; I113-L145 HydrophobicContact CD1-CD2 3.47Å; I113-L145 VanDerWaalsContact CD1-CD2 3.47Å; I113-L145 HydrophobicContact CG1-CD2 3.81Å; I113-L145 HydrophobicContact CG2-CD2 3.68Å; L137-L145 HydrophobicContact CB-CD2 4.18Å; L137-L145 HydrophobicContact CD2-CD1 4.05Å; R140-L145 HydrophobicContact CB-CD2 4.4Å; D141-L145 WeakPolarHBondContact O-CB 3.35Å; D141-L145 PolarHBondContact O-N 2.92Å; E143-L145 VanDerWaalsContact C-N 3.33Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-S147 PolarHBondContact O-N 3.46Å; L145-E148 PolarHBondContact O-N 2.95Å; L145-M149 HydrophobicContact CD1-CE 4.12Å; L145-M149 HydrophobicContact CD2-CE 4.13Å; L145-M149 HydrophobicContact CG-CE 3.86Å; L145-M149 WeakPolarHBondContact O-CG 3.39Å; L145-M149 PolarHBondContact O-N 3.06Å |
| 146 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.7 | -176.8 | 64.4 | 0 | 0 | 0 | 111.3 | Q142 E148 M149 I150 L176 Q180 L183 I194 | Q142-L146 WeakPolarHBondContact O-CB 3.49Å; Q142-L146 PolarHBondContact O-N 2.92Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 2.88Å; L146-M149 PolarHBondContact O-N 3.26Å; L146-I150 HydrophobicContact CD1-CD1 4.43Å; L146-I150 HydrophobicContact CG-CD1 4.13Å; L146-I150 WeakPolarHBondContact O-CD1 3.46Å; L146-I150 WeakPolarHBondContact O-CG1 3.49Å; L146-I150 PolarHBondContact O-N 2.7Å; L146-L176 HydrophobicContact CD1-CD1 4.22Å; L146-L176 HydrophobicContact CD1-CD2 4.07Å; L146-Q180 HydrophobicContact CD2-CB 4.13Å; L146-Q180 HydrophobicContact CD2-CG 3.95Å; L146-Q180 HydrophobicContact CG-CG 4.46Å; L146-L183 HydrophobicContact CD2-CD1 4.22Å; L146-I194 HydrophobicContact CB-CG2 4.14Å; L146-I194 HydrophobicContact CD2-CG2 3.48Å; L146-I194 VanDerWaalsContact CD2-CG2 3.48Å; L146-I194 HydrophobicContact CG-CG2 4.44Å |
| 147 | S | 94.3 | Very high | 93.4 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | E143 S144 L145 I150 S151 Q180 | E143-S147 WeakPolarHBondContact O-CB 3.4Å; E143-S147 PolarHBondContact O-N 2.86Å; E143-S147 VanDerWaalsContact O-N 3.1Å; E143-S147 PolarHBondContact O-OG 3.19Å; S144-S147 WeakPolarHBondContact O-CB 3.37Å; S144-S147 PolarHBondContact O-N 2.81Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-S147 PolarHBondContact O-N 3.46Å; S147-I150 PolarHBondContact O-N 2.84Å; S147-S151 WeakPolarHBondContact O-CB 3.48Å; S147-S151 PolarHBondContact O-N 3.31Å; S147-S151 PolarHBondContact O-OG 2.81Å; S147-Q180 PolarHBondContact OG-NE2 3.38Å |
| 148 | E | 92.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -38.1 | 177.3 | -73.8 | 173.5 | -157.5 | 0 | 0 | 113.1 | Y15 R140 S144 L145 L146 I150 S151 S152 | Y15-E148 WeakPolarHBondContact OH-CB 3.38Å; Y15-E148 PolarHBondContact OH-OE2 3.36Å; R140-E148 IonicContact CZ-OE1 3.63Å; R140-E148 IonicContact CZ-OE2 2.9Å; R140-E148 IonicContact NH1-OE2 3.05Å; R140-E148 PolarHBondContact NH1-OE2 2.83Å; R140-E148 IonicContact NH2-OE1 3.48Å; R140-E148 PolarHBondContact NH2-OE1 3.11Å; R140-E148 IonicContact NH2-OE2 2.83Å; R140-E148 PolarHBondContact NH2-OE2 3.48Å; S144-E148 WeakPolarHBondContact O-CG 3.34Å; S144-E148 PolarHBondContact O-N 3.03Å; S144-E148 PolarHBondContact OG-OE1 2.78Å; S144-E148 VanDerWaalsContact OG-OE1 3.06Å; L145-E148 PolarHBondContact O-N 2.95Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 2.88Å; E148-I150 VanDerWaalsContact C-N 3.32Å; E148-I150 PolarHBondContact O-N 2.91Å; E148-S151 WeakPolarHBondContact CA-OG 3.25Å; E148-S151 PolarHBondContact O-N 3.27Å; E148-S151 PolarHBondContact O-OG 2.92Å; E148-S152 WeakPolarHBondContact O-CB 3.16Å; E148-S152 PolarHBondContact O-N 3.24Å; E148-S152 PolarHBondContact O-OG 3.09Å |
| 149 | M | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -50.1 | 173.2 | -72.8 | 173.7 | 178.4 | 0 | 0 | 110.2 | K11 Y15 I113 L137 L145 L146 S152 L154 | K11-M149 HydrophobicContact CB-SD 4.26Å; K11-M149 HydrophobicContact CD-SD 4.02Å; K11-M149 HydrophobicContact CG-CE 4.29Å; K11-M149 HydrophobicContact CG-SD 3.92Å; Y15-M149 HydrophobicContact CD1-CE 3.83Å; Y15-M149 HydrophobicContact CD1-CG 3.75Å; Y15-M149 HydrophobicContact CD2-CB 4.35Å; Y15-M149 HydrophobicContact CD2-CG 3.75Å; Y15-M149 HydrophobicContact CE1-CG 4.21Å; Y15-M149 HydrophobicContact CE2-CG 4.18Å; Y15-M149 HydrophobicContact CG-CE 4.05Å; Y15-M149 HydrophobicContact CG-CG 3.53Å; I113-M149 HydrophobicContact CD1-CE 4.37Å; L137-M149 HydrophobicContact CD1-CE 4.05Å; L145-M149 HydrophobicContact CD1-CE 4.12Å; L145-M149 HydrophobicContact CD2-CE 4.13Å; L145-M149 HydrophobicContact CG-CE 3.86Å; L145-M149 WeakPolarHBondContact O-CG 3.39Å; L145-M149 PolarHBondContact O-N 3.06Å; L146-M149 PolarHBondContact O-N 3.26Å; M149-S152 PolarHBondContact O-N 3.13Å; M149-L154 HydrophobicContact CB-CB 4.43Å; M149-L154 WeakPolarHBondContact O-CB 3.43Å; M149-L154 PolarHBondContact O-N 3.43Å; M149-L154 VanDerWaalsContact O-N 3.15Å |
| 150 | I | 93.2 | Very high | 93.7 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | -179.5 | -66.4 | 159.9 | 0 | 0 | 0 | 111 | L146 S147 E148 S152 D153 L176 A177 Q180 | L146-I150 HydrophobicContact CD1-CD1 4.43Å; L146-I150 HydrophobicContact CG-CD1 4.13Å; L146-I150 WeakPolarHBondContact O-CD1 3.46Å; L146-I150 WeakPolarHBondContact O-CG1 3.49Å; L146-I150 PolarHBondContact O-N 2.7Å; S147-I150 PolarHBondContact O-N 2.84Å; E148-I150 VanDerWaalsContact C-N 3.32Å; E148-I150 PolarHBondContact O-N 2.91Å; I150-S152 PolarHBondContact O-N 3.14Å; I150-D153 PolarHBondContact O-N 3.28Å; I150-L176 HydrophobicContact CG1-CB 4.27Å; I150-A177 HydrophobicContact CG1-CB 4.48Å; I150-A177 HydrophobicContact CG2-CB 3.91Å; I150-Q180 HydrophobicContact CD1-CB 3.8Å; I150-Q180 HydrophobicContact CD1-CG 4.13Å |
| 151 | S | 92.7 | Very high | 93.8 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 61% | 0.608 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -71.5 | -16.8 | -178.7 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | S147 E148 D153 | S147-S151 WeakPolarHBondContact O-CB 3.48Å; S147-S151 PolarHBondContact O-N 3.31Å; S147-S151 PolarHBondContact O-OG 2.81Å; E148-S151 WeakPolarHBondContact CA-OG 3.25Å; E148-S151 PolarHBondContact O-N 3.27Å; E148-S151 PolarHBondContact O-OG 2.92Å; S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 3.16Å |
| 152 | S | 90.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 18.5 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | M18 E148 M149 I150 L154 P209 | M18-S152 WeakPolarHBondContact CE-O 3.19Å; E148-S152 WeakPolarHBondContact O-CB 3.16Å; E148-S152 PolarHBondContact O-N 3.24Å; E148-S152 PolarHBondContact O-OG 3.09Å; M149-S152 PolarHBondContact O-N 3.13Å; I150-S152 PolarHBondContact O-N 3.14Å; S152-L154 VanDerWaalsContact C-N 3.26Å; S152-L154 PolarHBondContact O-N 3.16Å; S152-P209 WeakPolarHBondContact O-CD 3.33Å; S152-P209 VanDerWaalsContact O-CG 3.31Å; S152-P209 WeakPolarHBondContact O-CG 3.48Å |
| 153 | D | 91.9 | Very high | 93.6 | Very high | 84 Ų | 84 | 30.6 Ų | 30.6 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 30.5 | -178.2 | -63.4 | -43.7 | 0 | 0 | 0 | 113.9 | I150 S151 Q155 P209 | I150-D153 PolarHBondContact O-N 3.28Å; S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 3.16Å; D153-Q155 PolarHBondContact O-N 3.1Å; D153-P209 HydrophobicContact CB-CG 4.26Å |
| 154 | L | 94.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | trans | -80.4 | 106.7 | 169.5 | -169.2 | 152.7 | 0 | 0 | 0 | 109.5 | K11 C14 Y15 M18 M149 S152 A156 L176 T205 | K11-L154 HydrophobicContact CB-CD2 3.86Å; C14-L154 HydrophobicContact CB-CD1 4.01Å; Y15-L154 HydrophobicContact CD2-CD1 4.07Å; Y15-L154 HydrophobicContact CG-CD1 4.31Å; M18-L154 HydrophobicContact SD-CD1 4.21Å; M149-L154 HydrophobicContact CB-CB 4.43Å; M149-L154 WeakPolarHBondContact O-CB 3.43Å; M149-L154 PolarHBondContact O-N 3.43Å; M149-L154 VanDerWaalsContact O-N 3.15Å; S152-L154 VanDerWaalsContact C-N 3.26Å; S152-L154 PolarHBondContact O-N 3.16Å; L154-A156 HydrophobicContact CD2-CB 3.66Å; L154-L176 HydrophobicContact CD2-CD1 4.14Å; L154-T205 HydrophobicContact CD2-CG2 4.07Å; L154-T205 HydrophobicContact CG-CG2 4.02Å | ||
| 155 | Q | 95.9 | Very high | 93.3 | Very high | 105 Ų | 105 | 29.7 Ų | 29.7 | 49% | 0.491 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 97.4 | 180 | -60.9 | 179.2 | -7.9 | 0 | 0 | 109.3 | D153 T205 L206 N207 | D153-Q155 PolarHBondContact O-N 3.1Å; Q155-T205 CarbonylContact O-C 3.59Å; Q155-T205 WeakPolarHBondContact O-CG2 3.49Å; Q155-L206 PolarHBondContact O-N 2.93Å; Q155-N207 HydrophobicContact CB-CB 4.16Å; Q155-N207 WeakPolarHBondContact CB-O 3.26Å; Q155-N207 PolarHBondContact N-O 2.84Å; Q155-N207 PolarHBondContact O-N 2.99Å; Q155-N207 PolarHBondContact OE1-ND2 2.91Å |
| 156 | A | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | K11 L154 S175 L176 F204 T205 | K11-A156 HydrophobicContact CB-CB 4.2Å; L154-A156 HydrophobicContact CD2-CB 3.66Å; A156-S175 CarbonylContact O-C 3.59Å; A156-S175 WeakPolarHBondContact O-CA 2.98Å; A156-L176 HydrophobicContact CB-CD1 3.78Å; A156-L176 HydrophobicContact CB-CG 4.14Å; A156-L176 PolarHBondContact O-N 3.11Å; A156-F204 VanDerWaalsContact CA-O 3.27Å; A156-F204 WeakPolarHBondContact CA-O 3.34Å; A156-F204 WeakPolarHBondContact CB-O 3.48Å; A156-T205 HydrophobicContact CB-CG2 4.42Å |
| 157 | I | 97.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 155.1 | 176.8 | 58.8 | 159.9 | 0 | 0 | 0 | 110.8 | I159 G173 K174 T203 F204 L206 I217 L236 F238 | I157-I159 HydrophobicContact CD1-CG2 4.03Å; I157-I159 HydrophobicContact CG1-CG2 3.97Å; I157-G173 WeakPolarHBondContact CG2-O 3.07Å; I157-K174 CarbonylContact C-O 3.54Å; I157-K174 VanDerWaalsContact CA-O 3.23Å; I157-K174 WeakPolarHBondContact CA-O 3.5Å; I157-T203 CarbonylContact O-C 3.41Å; I157-T203 WeakPolarHBondContact O-CA 3.39Å; I157-T203 VanDerWaalsContact O-CB 3.3Å; I157-T203 WeakPolarHBondContact O-CB 3.25Å; I157-F204 PolarHBondContact N-O 2.78Å; I157-F204 PolarHBondContact O-N 2.91Å; I157-L206 HydrophobicContact CD1-CD1 4.44Å; I157-L206 HydrophobicContact CG1-CD1 4.3Å; I157-L206 HydrophobicContact CG1-CG 4.47Å; I157-L206 HydrophobicContact CG2-CD1 3.86Å; I157-I217 HydrophobicContact CD1-CD1 3.38Å; I157-L236 HydrophobicContact CD1-CD1 4.33Å; I157-F238 HydrophobicContact CD1-CZ 4.4Å |
| 158 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.6 | 169.9 | -86.4 | 62.5 | 0 | 0 | 0 | 109.8 | V161 H171 G173 K174 L176 M179 Y201 E202 T203 | L158-V161 HydrophobicContact CD2-CG1 3.97Å; L158-H171 HydrophobicContact CD2-CB 4.38Å; L158-G173 PolarHBondContact O-N 2.91Å; L158-K174 PolarHBondContact N-O 2.82Å; L158-L176 HydrophobicContact CD1-CD2 3.95Å; L158-M179 HydrophobicContact CD1-CB 4.25Å; L158-M179 HydrophobicContact CD1-CG 3.94Å; L158-M179 HydrophobicContact CD2-CE 4.03Å; L158-M179 HydrophobicContact CD2-CG 4Å; L158-Y201 HydrophobicContact CD1-CD2 4.13Å; L158-Y201 HydrophobicContact CD1-CE2 4.31Å; L158-Y201 HydrophobicContact CD2-CD2 4.38Å; L158-Y201 HydrophobicContact CD2-CG 4.33Å; L158-Y201 HydrophobicContact CG-CD2 3.84Å; L158-Y201 HydrophobicContact CG-CG 4.25Å; L158-E202 WeakPolarHBondContact CA-O 3.48Å; L158-T203 HydrophobicContact CD1-CG2 4.29Å |
| 159 | I | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -11.2 | 179.4 | 63.9 | 161.4 | 0 | 0 | 0 | 113.5 | V49 I157 L172 E202 F204 Y235 L236 F238 | V49-I159 HydrophobicContact CB-CD1 4.4Å; V49-I159 HydrophobicContact CG1-CD1 4.01Å; V49-I159 HydrophobicContact CG1-CG1 4.45Å; V49-I159 WeakPolarHBondContact O-CD1 3.45Å; I157-I159 HydrophobicContact CD1-CG2 4.03Å; I157-I159 HydrophobicContact CG1-CG2 3.97Å; I159-L172 VanDerWaalsContact C-CD2 3.4Å; I159-E202 HydrophobicContact CG1-CB 4.19Å; I159-E202 PolarHBondContact N-O 3.43Å; I159-F204 HydrophobicContact CD1-CB 3.98Å; I159-F204 HydrophobicContact CG1-CB 4.38Å; I159-F204 HydrophobicContact CG2-CB 3.49Å; I159-F204 VanDerWaalsContact CG2-CB 3.49Å; I159-Y235 CarbonylContact O-C 3.45Å; I159-Y235 WeakPolarHBondContact O-CA 3.48Å; I159-Y235 VanDerWaalsContact O-CB 3.27Å; I159-Y235 WeakPolarHBondContact O-CB 3.38Å; I159-L236 HydrophobicContact CB-CB 4.43Å; I159-L236 HydrophobicContact CG2-CD1 4.36Å; I159-L236 PolarHBondContact O-N 2.94Å; I159-F238 HydrophobicContact CB-CZ 4.44Å; I159-F238 HydrophobicContact CG2-CE2 4.09Å; I159-F238 HydrophobicContact CG2-CZ 3.6Å |
| 160 | K | 93.8 | Very high | 93 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 10% | 0.1 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.6 | 168.9 | -177.5 | -178.3 | 175.2 | 167.9 | 0 | 108.1 | E40 V49 Y201 E202 G234 | E40-K160 VanDerWaalsContact OE1-CE 3.23Å; E40-K160 WeakPolarHBondContact OE1-CE 3.48Å; E40-K160 IonicContact OE1-NZ 3.79Å; E40-K160 PolarHBondContact OE1-NZ 3.15Å; V49-K160 HydrophobicContact CG2-CD 4.03Å; K160-Y201 CarbonylContact O-C 3.56Å; K160-Y201 WeakPolarHBondContact O-CA 3.28Å; K160-Y201 WeakPolarHBondContact O-CB 3.5Å; K160-E202 HydrophobicContact CB-CB 3.81Å; K160-E202 HydrophobicContact CB-CG 4.08Å; K160-E202 HydrophobicContact CD-CG 3.97Å; K160-E202 VanDerWaalsContact CD-OE1 3.23Å; K160-E202 WeakPolarHBondContact CD-OE1 3.38Å; K160-E202 PolarHBondContact N-O 2.66Å; K160-E202 IonicContact NZ-OE1 2.81Å; K160-E202 PolarHBondContact NZ-OE1 3.1Å; K160-E202 PolarHBondContact O-N 2.89Å; K160-G234 WeakPolarHBondContact CA-O 3.3Å |
| 161 | V | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.8 | 166.2 | -62.3 | 0 | 0 | 0 | 0 | 109.1 | L158 L166 P168 H171 L172 E200 V233 G234 | L158-V161 HydrophobicContact CD2-CG1 3.97Å; V161-L166 HydrophobicContact CB-CB 3.79Å; V161-L166 HydrophobicContact CB-CD1 4.22Å; V161-L166 HydrophobicContact CG1-CB 4.11Å; V161-L166 HydrophobicContact CG1-CD1 4.16Å; V161-L166 HydrophobicContact CG2-CB 4.35Å; V161-P168 HydrophobicContact CG2-CB 4.1Å; V161-P168 HydrophobicContact CG2-CG 3.65Å; V161-H171 HydrophobicContact CG1-CB 4.35Å; V161-L172 HydrophobicContact CG1-CD2 4.19Å; V161-L172 HydrophobicContact CG2-CD2 4.4Å; V161-L172 HydrophobicContact CG2-CG 4.43Å; V161-E200 WeakPolarHBondContact CA-O 3.32Å; V161-V233 WeakPolarHBondContact O-CA 3.46Å; V161-G234 PolarHBondContact N-O 3.5Å; V161-G234 PolarHBondContact O-N 3.25Å; V161-G234 VanDerWaalsContact O-N 3.11Å |
| 162 | A | 91 | Very high | 93.3 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | trans | -152.2 | 31.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E200 V233 | A162-E200 PolarHBondContact N-O 2.81Å; A162-V233 HydrophobicContact CB-CG1 4.05Å; A162-V233 HydrophobicContact CB-CG2 4.01Å | ||
| 163 | A | 89.1 | Confident | 93.5 | Very high | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -134.8 | 154.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G165 L166 E200 | A163-G165 PolarHBondContact O-N 3.45Å; A163-L166 HydrophobicContact CB-CD1 4.21Å; A163-L166 WeakPolarHBondContact O-CB 3.11Å; A163-L166 PolarHBondContact O-N 2.73Å; A163-E200 HydrophobicContact CB-CB 3.46Å; A163-E200 VanDerWaalsContact CB-CB 3.46Å; A163-E200 HydrophobicContact CB-CG 3.62Å |
| 164 | F | 87.7 | Confident | 93.8 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 39% | 0.386 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 127.7 | 176.7 | -171.2 | -88.8 | 0 | 0 | 0 | 111.2 | L166 Y190 F230 | F164-L166 VanDerWaalsContact C-N 3.32Å; F164-Y190 AromaticContact CD1-CD1 3.97Å; F164-Y190 HydrophobicContact CD1-CD1 3.97Å; F164-Y190 HydrophobicContact CD1-CD2 4.06Å; F164-Y190 AromaticContact CD1-CE1 3.92Å; F164-Y190 HydrophobicContact CD1-CE1 3.92Å; F164-Y190 HydrophobicContact CD1-CE2 4.01Å; F164-Y190 HydrophobicContact CD1-CG 4.03Å; F164-Y190 AromaticContact CD1-CZ 3.93Å; F164-Y190 HydrophobicContact CE1-CD1 4.04Å; F164-Y190 HydrophobicContact CE1-CD2 4.42Å; F164-Y190 AromaticContact CE1-CE1 3.51Å; F164-Y190 HydrophobicContact CE1-CE1 3.51Å; F164-Y190 AromaticContact CE1-CE2 3.95Å; F164-Y190 HydrophobicContact CE1-CE2 3.95Å; F164-Y190 HydrophobicContact CE1-CG 4.45Å; F164-Y190 AromaticContact CE1-CZ 3.46Å; F164-Y190 VanDerWaalsContact CE1-CZ 3.46Å; F164-F230 HydrophobicContact CD2-CB 3.95Å; F164-F230 WeakPolarHBondContact CD2-O 3.36Å; F164-F230 HydrophobicContact CE2-CB 3.89Å; F164-F230 HydrophobicContact CE2-CD1 4.16Å |
| 165 | G | 90.1 | Very high | 94 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 25% | 0.247 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -8.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A163 H171 Y182 | A163-G165 PolarHBondContact O-N 3.45Å; G165-H171 PolarHBondContact O-CE1 3.46Å; G165-Y182 WeakPolarHBondContact O-CE1 3.37Å; G165-Y182 PolarHBondContact O-OH 3.37Å |
| 166 | L | 92.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -96.2 | 121.3 | 169.2 | -63.6 | 176.1 | 0 | 0 | 0 | 110.8 | V161 A163 F164 H171 M179 Y182 L183 L186 E200 Y201 | V161-L166 HydrophobicContact CB-CB 3.79Å; V161-L166 HydrophobicContact CB-CD1 4.22Å; V161-L166 HydrophobicContact CG1-CB 4.11Å; V161-L166 HydrophobicContact CG1-CD1 4.16Å; V161-L166 HydrophobicContact CG2-CB 4.35Å; A163-L166 HydrophobicContact CB-CD1 4.21Å; A163-L166 WeakPolarHBondContact O-CB 3.11Å; A163-L166 PolarHBondContact O-N 2.73Å; F164-L166 VanDerWaalsContact C-N 3.32Å; L166-H171 WeakPolarHBondContact CA-ND1 3.44Å; L166-M179 HydrophobicContact CD2-CE 4.03Å; L166-Y182 HydrophobicContact CD2-CD1 4.38Å; L166-Y182 HydrophobicContact CD2-CE1 4.18Å; L166-L183 HydrophobicContact CD2-CD2 4.21Å; L166-L186 HydrophobicContact CD2-CD1 3.66Å; L166-L186 HydrophobicContact CG-CD1 3.95Å; L166-E200 WeakPolarHBondContact CD1-O 3.39Å; L166-Y201 HydrophobicContact CD1-CD1 4.37Å | ||
| 167 | D | 92.1 | Very high | 93.8 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.203 | 21% | 0.206 | C | C | . | . | trans | -106.5 | 120 | 179.7 | -178.7 | -28.7 | 0 | 0 | 0 | 110.3 | E169 K170 H171 | D167-E169 VanDerWaalsContact C-N 3.28Å; D167-E169 PolarHBondContact O-N 2.83Å; D167-E169 PolarHBondContact OD1-N 2.91Å; D167-K170 HydrophobicContact CB-CB 4.08Å; D167-K170 HydrophobicContact CB-CD 4.11Å; D167-K170 HydrophobicContact CB-CG 4.18Å; D167-K170 PolarHBondContact O-N 2.83Å; D167-K170 VanDerWaalsContact O-N 3.11Å; D167-K170 WeakPolarHBondContact OD2-CD 3.29Å; D167-K170 WeakPolarHBondContact OD2-CE 3.21Å; D167-K170 IonicContact OD2-NZ 2.73Å; D167-K170 PolarHBondContact OD2-NZ 2.68Å; D167-H171 PolarHBondContact N-CE1 3.41Å; D167-H171 PolarHBondContact N-ND1 3.23Å; D167-H171 WeakPolarHBondContact O-CB 3.4Å; D167-H171 PolarHBondContact O-N 2.85Å; D167-H171 PolarHBondContact O-ND1 2.82Å | ||
| 168 | P | 92.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.9 | -41.3 | 178.5 | -29.3 | 34 | 0 | 0 | 0 | 114.2 | V161 K170 L172 I224 P232 | V161-P168 HydrophobicContact CG2-CB 4.1Å; V161-P168 HydrophobicContact CG2-CG 3.65Å; P168-K170 VanDerWaalsContact C-N 3.28Å; P168-K170 PolarHBondContact O-N 2.89Å; P168-L172 HydrophobicContact CB-CD1 3.81Å; P168-L172 HydrophobicContact CB-CG 4.38Å; P168-L172 VanDerWaalsContact O-CB 3.3Å; P168-L172 WeakPolarHBondContact O-CB 3.41Å; P168-L172 WeakPolarHBondContact O-CG 3.45Å; P168-L172 PolarHBondContact O-N 2.9Å; P168-I224 HydrophobicContact CB-CD1 3.64Å; P168-I224 HydrophobicContact CG-CD1 4.05Å; P168-P232 HydrophobicContact CG-CB 4.1Å; P168-P232 HydrophobicContact CG-CG 4.38Å |
| 169 | E | 91.1 | Very high | 93.8 | Very high | 168 Ų | 168 | 41.7 Ų | 41.7 | 79% | 0.785 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.4 | -26.2 | -177.2 | -63 | -174.1 | 172.4 | 0 | 0 | 112.2 | D167 | D167-E169 VanDerWaalsContact C-N 3.28Å; D167-E169 PolarHBondContact O-N 2.83Å; D167-E169 PolarHBondContact OD1-N 2.91Å |
| 170 | K | 93.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 43.3 Ų | 43.3 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -98.4 | -27 | -176.2 | -62.7 | -179.6 | -174.4 | 123.6 | 0 | 113.8 | D167 P168 K174 | D167-K170 HydrophobicContact CB-CB 4.08Å; D167-K170 HydrophobicContact CB-CD 4.11Å; D167-K170 HydrophobicContact CB-CG 4.18Å; D167-K170 PolarHBondContact O-N 2.83Å; D167-K170 VanDerWaalsContact O-N 3.11Å; D167-K170 WeakPolarHBondContact OD2-CD 3.29Å; D167-K170 WeakPolarHBondContact OD2-CE 3.21Å; D167-K170 IonicContact OD2-NZ 2.73Å; D167-K170 PolarHBondContact OD2-NZ 2.68Å; P168-K170 VanDerWaalsContact C-N 3.28Å; P168-K170 PolarHBondContact O-N 2.89Å; K170-K174 WeakPolarHBondContact O-CD 3.49Å; K170-K174 WeakPolarHBondContact O-CE 3.4Å; K170-K174 PolarHBondContact O-NZ 2.85Å |
| 171 | H | 96.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 6% | 0.06 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -116 | -27.3 | -166.5 | -57.3 | 145.6 | 0 | 0 | 0 | 114.4 | L158 V161 G165 L166 D167 G173 K174 M179 Y182 | L158-H171 HydrophobicContact CD2-CB 4.38Å; V161-H171 HydrophobicContact CG1-CB 4.35Å; G165-H171 PolarHBondContact O-CE1 3.46Å; L166-H171 WeakPolarHBondContact CA-ND1 3.44Å; D167-H171 PolarHBondContact N-CE1 3.41Å; D167-H171 PolarHBondContact N-ND1 3.23Å; D167-H171 WeakPolarHBondContact O-CB 3.4Å; D167-H171 PolarHBondContact O-N 2.85Å; D167-H171 PolarHBondContact O-ND1 2.82Å; H171-G173 PolarHBondContact O-N 3.35Å; H171-K174 WeakPolarHBondContact O-CB 3.41Å; H171-K174 PolarHBondContact O-N 2.77Å; H171-M179 HydrophobicContact CB-CE 3.92Å; H171-M179 HydrophobicContact CB-SD 4.23Å; H171-Y182 AromaticContact CE1-CE1 3.39Å; H171-Y182 WeakPolarHBondContact CE1-CE1 3.47Å; H171-Y182 AromaticContact NE2-CE1 3.62Å |
| 172 | L | 96.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 138.4 | 176 | -69 | 174.8 | 0 | 0 | 0 | 110.7 | I159 V161 P168 K174 T222 L236 | I159-L172 VanDerWaalsContact C-CD2 3.4Å; V161-L172 HydrophobicContact CG1-CD2 4.19Å; V161-L172 HydrophobicContact CG2-CD2 4.4Å; V161-L172 HydrophobicContact CG2-CG 4.43Å; P168-L172 HydrophobicContact CB-CD1 3.81Å; P168-L172 HydrophobicContact CB-CG 4.38Å; P168-L172 VanDerWaalsContact O-CB 3.3Å; P168-L172 WeakPolarHBondContact O-CB 3.41Å; P168-L172 WeakPolarHBondContact O-CG 3.45Å; P168-L172 PolarHBondContact O-N 2.9Å; L172-K174 VanDerWaalsContact C-N 3.25Å; L172-K174 PolarHBondContact O-N 2.81Å; L172-T222 HydrophobicContact CD1-CG2 3.68Å; L172-L236 HydrophobicContact CB-CD1 4.35Å; L172-L236 HydrophobicContact CB-CD2 3.98Å; L172-L236 HydrophobicContact CB-CG 3.99Å; L172-L236 HydrophobicContact CD1-CD2 4.35Å; L172-L236 HydrophobicContact CD1-CG 4.44Å; L172-L236 HydrophobicContact CD2-CG 4.41Å |
| 173 | G | 95.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -11.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | I157 L158 H171 | I157-G173 WeakPolarHBondContact CG2-O 3.07Å; L158-G173 PolarHBondContact O-N 2.91Å; H171-G173 PolarHBondContact O-N 3.35Å |
| 174 | K | 97.4 | Very high | 94.7 | Very high | 90 Ų | 90 | 51 Ų | 51 | 39% | 0.391 | 27% | 0.272 | S | S | . | . | trans | -71.6 | 147.3 | 175.2 | -72.2 | -173.6 | 172 | 161.6 | 0 | 111.6 | I157 L158 K170 H171 L172 M179 | I157-K174 CarbonylContact C-O 3.54Å; I157-K174 VanDerWaalsContact CA-O 3.23Å; I157-K174 WeakPolarHBondContact CA-O 3.5Å; L158-K174 PolarHBondContact N-O 2.82Å; K170-K174 WeakPolarHBondContact O-CD 3.49Å; K170-K174 WeakPolarHBondContact O-CE 3.4Å; K170-K174 PolarHBondContact O-NZ 2.85Å; H171-K174 WeakPolarHBondContact O-CB 3.41Å; H171-K174 PolarHBondContact O-N 2.77Å; L172-K174 VanDerWaalsContact C-N 3.25Å; L172-K174 PolarHBondContact O-N 2.81Å; K174-M179 HydrophobicContact CB-CG 3.77Å; K174-M179 HydrophobicContact CB-SD 3.94Å; K174-M179 HydrophobicContact CD-CG 4.5Å; K174-M179 HydrophobicContact CD-SD 3.6Å; K174-M179 HydrophobicContact CG-SD 4.41Å | ||
| 175 | S | 97.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -70.8 | 155.7 | 176.9 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | A156 A177 D178 M179 | A156-S175 CarbonylContact O-C 3.59Å; A156-S175 WeakPolarHBondContact O-CA 2.98Å; S175-A177 PolarHBondContact O-N 3.39Å; S175-A177 PolarHBondContact OG-N 3.43Å; S175-D178 WeakPolarHBondContact CB-OD2 3.46Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-D178 PolarHBondContact OG-N 3.15Å; S175-D178 VanDerWaalsContact OG-N 3.13Å; S175-D178 PolarHBondContact OG-OD2 2.96Å; S175-M179 WeakPolarHBondContact O-CG 3.38Å; S175-M179 PolarHBondContact O-N 2.85Å |
| 176 | L | 95.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56 | -37.7 | 171.4 | -78.3 | -178.9 | 0 | 0 | 0 | 112.5 | K11 L146 I150 L154 A156 L158 M179 Q180 Y201 T203 | K11-L176 HydrophobicContact CB-CD1 3.84Å; K11-L176 HydrophobicContact CD-CD1 3.65Å; K11-L176 HydrophobicContact CD-CD2 4.07Å; K11-L176 HydrophobicContact CD-CG 4.49Å; K11-L176 HydrophobicContact CG-CD1 4.31Å; L146-L176 HydrophobicContact CD1-CD1 4.22Å; L146-L176 HydrophobicContact CD1-CD2 4.07Å; I150-L176 HydrophobicContact CG1-CB 4.27Å; L154-L176 HydrophobicContact CD2-CD1 4.14Å; A156-L176 HydrophobicContact CB-CD1 3.78Å; A156-L176 HydrophobicContact CB-CG 4.14Å; A156-L176 PolarHBondContact O-N 3.11Å; L158-L176 HydrophobicContact CD1-CD2 3.95Å; L176-M179 PolarHBondContact O-N 3.41Å; L176-Q180 WeakPolarHBondContact O-CB 3.3Å; L176-Q180 PolarHBondContact O-N 3.33Å; L176-Y201 HydrophobicContact CD2-CE2 4.07Å; L176-T203 HydrophobicContact CD2-CG2 3.87Å; L176-T203 HydrophobicContact CG-CG2 4.39Å |
| 177 | A | 95 | Very high | 95.3 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I150 S175 M179 | I150-A177 HydrophobicContact CG1-CB 4.48Å; I150-A177 HydrophobicContact CG2-CB 3.91Å; S175-A177 PolarHBondContact O-N 3.39Å; S175-A177 PolarHBondContact OG-N 3.43Å; A177-M179 VanDerWaalsContact C-N 3.31Å; A177-M179 PolarHBondContact O-N 3.42Å |
| 178 | D | 97.2 | Very high | 95.3 | Very high | 111 Ų | 111 | 60 Ų | 60 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.2 | -35.4 | 177.5 | -59 | -43.5 | 0 | 0 | 0 | 111.8 | S175 | S175-D178 WeakPolarHBondContact CB-OD2 3.46Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-D178 PolarHBondContact OG-N 3.15Å; S175-D178 VanDerWaalsContact OG-N 3.13Å; S175-D178 PolarHBondContact OG-OD2 2.96Å |
| 179 | M | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.9 | -22.7 | -177.5 | -70.1 | -57.8 | -59.6 | 0 | 0 | 113.6 | L158 L166 H171 K174 S175 L176 A177 Y182 L183 | L158-M179 HydrophobicContact CD1-CB 4.25Å; L158-M179 HydrophobicContact CD1-CG 3.94Å; L158-M179 HydrophobicContact CD2-CE 4.03Å; L158-M179 HydrophobicContact CD2-CG 4Å; L166-M179 HydrophobicContact CD2-CE 4.03Å; H171-M179 HydrophobicContact CB-CE 3.92Å; H171-M179 HydrophobicContact CB-SD 4.23Å; K174-M179 HydrophobicContact CB-CG 3.77Å; K174-M179 HydrophobicContact CB-SD 3.94Å; K174-M179 HydrophobicContact CD-CG 4.5Å; K174-M179 HydrophobicContact CD-SD 3.6Å; K174-M179 HydrophobicContact CG-SD 4.41Å; S175-M179 WeakPolarHBondContact O-CG 3.38Å; S175-M179 PolarHBondContact O-N 2.85Å; L176-M179 PolarHBondContact O-N 3.41Å; A177-M179 VanDerWaalsContact C-N 3.31Å; A177-M179 PolarHBondContact O-N 3.42Å; M179-Y182 HydrophobicContact CE-CD1 3.76Å; M179-Y182 WeakPolarHBondContact O-CB 3.43Å; M179-Y182 PolarHBondContact O-N 3.32Å; M179-L183 HydrophobicContact CB-CD1 4.03Å; M179-L183 HydrophobicContact CB-CG 4.29Å; M179-L183 WeakPolarHBondContact O-CG 3.48Å; M179-L183 PolarHBondContact O-N 2.88Å |
| 180 | Q | 96.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 63 Ų | 63 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -52.1 | -50.8 | -173 | 175.6 | -173.7 | 50.7 | 0 | 0 | 113.9 | L146 S147 I150 L176 Y182 L183 K184 | L146-Q180 HydrophobicContact CD2-CB 4.13Å; L146-Q180 HydrophobicContact CD2-CG 3.95Å; L146-Q180 HydrophobicContact CG-CG 4.46Å; S147-Q180 PolarHBondContact OG-NE2 3.38Å; I150-Q180 HydrophobicContact CD1-CB 3.8Å; I150-Q180 HydrophobicContact CD1-CG 4.13Å; L176-Q180 WeakPolarHBondContact O-CB 3.3Å; L176-Q180 PolarHBondContact O-N 3.33Å; Q180-Y182 PolarHBondContact O-N 2.87Å; Q180-L183 PolarHBondContact O-N 3.11Å; Q180-K184 WeakPolarHBondContact O-CG 3.49Å; Q180-K184 PolarHBondContact O-N 2.98Å; Q180-K184 VanDerWaalsContact O-N 3.08Å |
| 181 | P | 96.8 | Very high | 94.9 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.7 | -36.5 | -179.9 | -22.4 | 34.2 | 0 | 0 | 0 | 112.4 | Q185 | P181-Q185 PolarHBondContact O-N 3.23Å |
| 182 | Y | 96.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.3 | -41.3 | 180 | -170.4 | -114.1 | 0 | 0 | 0 | 112.2 | G165 L166 H171 M179 Q180 K184 Q185 L186 | G165-Y182 WeakPolarHBondContact O-CE1 3.37Å; G165-Y182 PolarHBondContact O-OH 3.37Å; L166-Y182 HydrophobicContact CD2-CD1 4.38Å; L166-Y182 HydrophobicContact CD2-CE1 4.18Å; H171-Y182 AromaticContact CE1-CE1 3.39Å; H171-Y182 WeakPolarHBondContact CE1-CE1 3.47Å; H171-Y182 AromaticContact NE2-CE1 3.62Å; M179-Y182 HydrophobicContact CE-CD1 3.76Å; M179-Y182 WeakPolarHBondContact O-CB 3.43Å; M179-Y182 PolarHBondContact O-N 3.32Å; Q180-Y182 PolarHBondContact O-N 2.87Å; Y182-K184 VanDerWaalsContact C-N 3.35Å; Y182-K184 PolarHBondContact O-N 2.72Å; Y182-Q185 WeakPolarHBondContact O-CB 3.43Å; Y182-Q185 PolarHBondContact O-N 2.78Å; Y182-Q185 VanDerWaalsContact O-N 3.16Å; Y182-L186 HydrophobicContact CD1-CD1 3.88Å; Y182-L186 HydrophobicContact CD1-CG 4.2Å; Y182-L186 HydrophobicContact CE1-CD1 3.51Å; Y182-L186 HydrophobicContact CE1-CD2 4.22Å; Y182-L186 HydrophobicContact CE1-CG 3.89Å; Y182-L186 WeakPolarHBondContact O-CG 3.15Å; Y182-L186 PolarHBondContact O-N 2.95Å |
| 183 | L | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 176.2 | -67.9 | 171.6 | 0 | 0 | 0 | 111.8 | L146 L166 M179 Q180 Q185 L186 S187 Y201 | L146-L183 HydrophobicContact CD2-CD1 4.22Å; L166-L183 HydrophobicContact CD2-CD2 4.21Å; M179-L183 HydrophobicContact CB-CD1 4.03Å; M179-L183 HydrophobicContact CB-CG 4.29Å; M179-L183 WeakPolarHBondContact O-CG 3.48Å; M179-L183 PolarHBondContact O-N 2.88Å; Q180-L183 PolarHBondContact O-N 3.11Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 3.26Å; L183-S187 WeakPolarHBondContact O-CB 3.35Å; L183-S187 PolarHBondContact O-N 3.04Å; L183-Y201 HydrophobicContact CD1-CE1 3.86Å; L183-Y201 HydrophobicContact CD2-CD1 4.07Å; L183-Y201 HydrophobicContact CD2-CE1 3.83Å; L183-Y201 HydrophobicContact CG-CE1 4.5Å |
| 184 | K | 95 | Very high | 94.3 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 27% | 0.27 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 172.4 | -68.1 | -176.3 | -173.3 | -157.6 | 0 | 111.6 | E143 Q180 Y182 S187 H188 I194 | E143-K184 HydrophobicContact CG-CD 4.08Å; E143-K184 HydrophobicContact CG-CG 4.36Å; E143-K184 WeakPolarHBondContact OE1-CD 3.48Å; E143-K184 VanDerWaalsContact OE1-CE 3.27Å; E143-K184 WeakPolarHBondContact OE1-CE 3.36Å; E143-K184 IonicContact OE1-NZ 3.02Å; E143-K184 PolarHBondContact OE1-NZ 2.9Å; Q180-K184 WeakPolarHBondContact O-CG 3.49Å; Q180-K184 PolarHBondContact O-N 2.98Å; Q180-K184 VanDerWaalsContact O-N 3.08Å; Y182-K184 VanDerWaalsContact C-N 3.35Å; Y182-K184 PolarHBondContact O-N 2.72Å; K184-S187 PolarHBondContact O-N 3.08Å; K184-H188 PolarHBondContact O-N 2.92Å; K184-I194 HydrophobicContact CG-CD1 4.41Å |
| 185 | Q | 95.4 | Very high | 94.1 | Very high | 121 Ų | 121 | 56.1 Ų | 56.1 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.4 | -44 | 177.4 | -172.7 | -176.3 | 20.8 | 0 | 0 | 112.2 | P181 Y182 L183 S187 H188 K189 | P181-Q185 PolarHBondContact O-N 3.23Å; Y182-Q185 WeakPolarHBondContact O-CB 3.43Å; Y182-Q185 PolarHBondContact O-N 2.78Å; Y182-Q185 VanDerWaalsContact O-N 3.16Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.13Å; Q185-S187 VanDerWaalsContact C-N 3.33Å; Q185-H188 PolarHBondContact O-N 3.37Å; Q185-K189 WeakPolarHBondContact O-CB 3.19Å; Q185-K189 PolarHBondContact O-N 2.92Å |
| 186 | L | 93.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.6 | -72.2 | -178 | 0 | 0 | 0 | 111.7 | L166 Y182 L183 K189 Y190 V192 | L166-L186 HydrophobicContact CD2-CD1 3.66Å; L166-L186 HydrophobicContact CG-CD1 3.95Å; Y182-L186 HydrophobicContact CD1-CD1 3.88Å; Y182-L186 HydrophobicContact CD1-CG 4.2Å; Y182-L186 HydrophobicContact CE1-CD1 3.51Å; Y182-L186 HydrophobicContact CE1-CD2 4.22Å; Y182-L186 HydrophobicContact CE1-CG 3.89Å; Y182-L186 WeakPolarHBondContact O-CG 3.15Å; Y182-L186 PolarHBondContact O-N 2.95Å; L183-L186 PolarHBondContact O-N 3.26Å; L186-K189 PolarHBondContact O-N 3.08Å; L186-Y190 HydrophobicContact CD2-CD2 3.65Å; L186-Y190 HydrophobicContact CD2-CE2 3.73Å; L186-Y190 WeakPolarHBondContact O-CA 3.26Å; L186-Y190 WeakPolarHBondContact O-CB 3.4Å; L186-Y190 PolarHBondContact O-N 3.22Å; L186-V192 HydrophobicContact CB-CB 4.21Å; L186-V192 HydrophobicContact CB-CG2 4.32Å |
| 187 | S | 93.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | L183 K184 Q185 K189 G191 V192 | L183-S187 WeakPolarHBondContact O-CB 3.35Å; L183-S187 PolarHBondContact O-N 3.04Å; K184-S187 PolarHBondContact O-N 3.08Å; Q185-S187 VanDerWaalsContact C-N 3.33Å; S187-K189 VanDerWaalsContact C-N 3.27Å; S187-K189 PolarHBondContact O-N 3.33Å; S187-G191 VanDerWaalsContact O-CA 3.25Å; S187-G191 WeakPolarHBondContact O-CA 3.46Å; S187-G191 PolarHBondContact O-N 2.75Å; S187-V192 VanDerWaalsContact CA-O 3.29Å; S187-V192 WeakPolarHBondContact CA-O 3.43Å; S187-V192 WeakPolarHBondContact CB-O 3.49Å; S187-V192 PolarHBondContact OG-O 2.84Å |
| 188 | H | 92 | Very high | 92.5 | Very high | 178 Ų | 178 | 57.4 Ų | 57.4 | 82% | 0.824 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.4 | -35.1 | 176.9 | -178.1 | -76.3 | 0 | 0 | 0 | 112.8 | K184 Q185 | K184-H188 PolarHBondContact O-N 2.92Å; Q185-H188 PolarHBondContact O-N 3.37Å |
| 189 | K | 91.5 | Very high | 92 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -87.3 | -35.1 | -174 | -167.5 | 173.5 | 178.4 | -164.8 | 0 | 113.8 | Q185 L186 S187 | Q185-K189 WeakPolarHBondContact O-CB 3.19Å; Q185-K189 PolarHBondContact O-N 2.92Å; L186-K189 PolarHBondContact O-N 3.08Å; S187-K189 VanDerWaalsContact C-N 3.27Å; S187-K189 PolarHBondContact O-N 3.33Å |
| 190 | Y | 89.8 | Confident | 91.7 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -132.5 | -3 | -167.1 | -55.6 | -61.3 | 0 | 0 | 0 | 113.9 | F164 L186 V192 | F164-Y190 AromaticContact CD1-CD1 3.97Å; F164-Y190 HydrophobicContact CD1-CD1 3.97Å; F164-Y190 HydrophobicContact CD1-CD2 4.06Å; F164-Y190 AromaticContact CD1-CE1 3.92Å; F164-Y190 HydrophobicContact CD1-CE1 3.92Å; F164-Y190 HydrophobicContact CD1-CE2 4.01Å; F164-Y190 HydrophobicContact CD1-CG 4.03Å; F164-Y190 AromaticContact CD1-CZ 3.93Å; F164-Y190 HydrophobicContact CE1-CD1 4.04Å; F164-Y190 HydrophobicContact CE1-CD2 4.42Å; F164-Y190 AromaticContact CE1-CE1 3.51Å; F164-Y190 HydrophobicContact CE1-CE1 3.51Å; F164-Y190 AromaticContact CE1-CE2 3.95Å; F164-Y190 HydrophobicContact CE1-CE2 3.95Å; F164-Y190 HydrophobicContact CE1-CG 4.45Å; F164-Y190 AromaticContact CE1-CZ 3.46Å; F164-Y190 VanDerWaalsContact CE1-CZ 3.46Å; L186-Y190 HydrophobicContact CD2-CD2 3.65Å; L186-Y190 HydrophobicContact CD2-CE2 3.73Å; L186-Y190 WeakPolarHBondContact O-CA 3.26Å; L186-Y190 WeakPolarHBondContact O-CB 3.4Å; L186-Y190 PolarHBondContact O-N 3.22Å; Y190-V192 VanDerWaalsContact C-N 3.29Å; Y190-V192 PolarHBondContact O-N 2.75Å |
| 191 | G | 88.3 | Confident | 91.6 | Very high | 53 Ų | 53 | 53 Ų | 53 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | trans | 74.8 | 14.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S187 | S187-G191 VanDerWaalsContact O-CA 3.25Å; S187-G191 WeakPolarHBondContact O-CA 3.46Å; S187-G191 PolarHBondContact O-N 2.75Å | ||
| 192 | V | 89.8 | Confident | 91.5 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | trans | -59 | 135.8 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | L186 S187 Y190 I194 E200 | L186-V192 HydrophobicContact CB-CB 4.21Å; L186-V192 HydrophobicContact CB-CG2 4.32Å; S187-V192 VanDerWaalsContact CA-O 3.29Å; S187-V192 WeakPolarHBondContact CA-O 3.43Å; S187-V192 WeakPolarHBondContact CB-O 3.49Å; S187-V192 PolarHBondContact OG-O 2.84Å; Y190-V192 VanDerWaalsContact C-N 3.29Å; Y190-V192 PolarHBondContact O-N 2.75Å; V192-I194 PolarHBondContact O-N 2.73Å; V192-E200 HydrophobicContact CG1-CB 4.12Å; V192-E200 HydrophobicContact CG1-CG 4.02Å | ||
| 193 | H | 91.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | trans | -68.7 | 123.3 | 174.6 | -68.4 | -54.5 | 0 | 0 | 0 | 110.7 | Q142 C195 G196 E197 E200 | Q142-H193 PolarHBondContact NE2-ND1 3.34Å; H193-C195 PolarHBondContact O-N 3.18Å; H193-G196 PolarHBondContact O-N 3.25Å; H193-E197 HydrophobicContact CB-CB 4.24Å; H193-E200 VanDerWaalsContact CB-OE1 3.25Å; H193-E200 WeakPolarHBondContact CB-OE1 3.48Å; H193-E200 IonicContact CD2-OE1 3.77Å; H193-E200 PolarHBondContact CD2-OE1 2.76Å; H193-E200 IonicContact CG-OE1 2.68Å; H193-E200 PolarHBondContact N-OE1 3.07Å | ||
| 194 | I | 94.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -37.2 | -177.9 | -64 | 172.6 | 0 | 0 | 0 | 110.8 | Q142 E143 L146 K184 V192 Y201 | Q142-I194 HydrophobicContact CB-CB 4.12Å; E143-I194 HydrophobicContact CB-CD1 3.92Å; E143-I194 HydrophobicContact CG-CD1 4.31Å; L146-I194 HydrophobicContact CB-CG2 4.14Å; L146-I194 HydrophobicContact CD2-CG2 3.48Å; L146-I194 VanDerWaalsContact CD2-CG2 3.48Å; L146-I194 HydrophobicContact CG-CG2 4.44Å; K184-I194 HydrophobicContact CG-CD1 4.41Å; V192-I194 PolarHBondContact O-N 2.73Å; I194-Y201 WeakPolarHBondContact O-CE1 3.45Å; I194-Y201 PolarHBondContact O-OH 2.83Å |
| 195 | C | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.8 | 176.2 | -73.2 | 0 | 0 | 0 | 0 | 114 | K11 I113 Q142 H193 E197 Y201 | K11-C195 WeakPolarHBondContact CE-O 3.5Å; K11-C195 PolarHBondContact NZ-O 2.92Å; I113-C195 HydrophobicContact CD1-CB 3.75Å; Q142-C195 HydrophobicContact CB-CB 4.31Å; Q142-C195 HydrophobicContact CG-CB 4.29Å; Q142-C195 PolarHBondContact O-SG 3.48Å; Q142-C195 VanDerWaalsContact O-SG 3.33Å; H193-C195 PolarHBondContact O-N 3.18Å; C195-E197 HydrophobicContact CB-CG 4.5Å; C195-Y201 WeakPolarHBondContact CA-OH 3.33Å |
| 196 | G | 91.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | trans | 71.7 | 25.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H193 G198 G199 E200 Y201 | H193-G196 PolarHBondContact O-N 3.25Å; G196-G198 VanDerWaalsContact C-N 3.28Å; G196-G198 PolarHBondContact O-N 2.94Å; G196-G199 PolarHBondContact O-N 3.17Å; G196-G199 VanDerWaalsContact O-N 3.1Å; G196-E200 VanDerWaalsContact CA-OE2 3.31Å; G196-E200 WeakPolarHBondContact CA-OE2 3.26Å; G196-Y201 VanDerWaalsContact CA-CE1 3.5Å | ||
| 197 | E | 84.9 | Confident | 91.7 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.2 | -175.3 | -74.3 | -63.7 | 118.8 | 0 | 0 | 114.9 | I113 L114 H193 C195 G199 E200 | I113-E197 VanDerWaalsContact CB-CD 3.43Å; I113-E197 HydrophobicContact CB-CG 4.13Å; I113-E197 VanDerWaalsContact CB-OE1 3.26Å; I113-E197 WeakPolarHBondContact CB-OE1 3.45Å; I113-E197 VanDerWaalsContact CD1-OE1 3.24Å; I113-E197 WeakPolarHBondContact CD1-OE1 3.44Å; I113-E197 WeakPolarHBondContact CG1-OE1 3.34Å; I113-E197 PolarHBondContact N-OE2 2.97Å; L114-E197 HydrophobicContact CB-CB 4.39Å; L114-E197 HydrophobicContact CB-CG 3.97Å; L114-E197 PolarHBondContact N-OE2 3.37Å; H193-E197 HydrophobicContact CB-CB 4.24Å; C195-E197 HydrophobicContact CB-CG 4.5Å; E197-G199 PolarHBondContact O-N 3.31Å; E197-E200 PolarHBondContact N-OE2 3.37Å |
| 198 | G | 78.4 | Confident | 91.8 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 63% | 0.629 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G196 E200 | G196-G198 VanDerWaalsContact C-N 3.28Å; G196-G198 PolarHBondContact O-N 2.94Å; G198-E200 VanDerWaalsContact C-N 3.31Å; G198-E200 WeakPolarHBondContact CA-OE2 3.49Å; G198-E200 PolarHBondContact N-OE2 2.95Å |
| 199 | G | 86.4 | Confident | 91.8 | Very high | 31 Ų | 31 | 32 Ų | 32 | 32% | 0.32 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 78.9 | 15.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | G196 E197 Y201 | G196-G199 PolarHBondContact O-N 3.17Å; G196-G199 VanDerWaalsContact O-N 3.1Å; E197-G199 PolarHBondContact O-N 3.31Å; G199-Y201 PolarHBondContact O-N 3.44Å |
| 200 | E | 90.9 | Very high | 91.9 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -60.3 | -33 | -179.4 | -63.1 | 102.9 | 142.5 | 0 | 0 | 112.3 | V161 A162 A163 L166 V192 H193 G196 E197 G198 | V161-E200 WeakPolarHBondContact CA-O 3.32Å; A162-E200 PolarHBondContact N-O 2.81Å; A163-E200 HydrophobicContact CB-CB 3.46Å; A163-E200 VanDerWaalsContact CB-CB 3.46Å; A163-E200 HydrophobicContact CB-CG 3.62Å; L166-E200 WeakPolarHBondContact CD1-O 3.39Å; V192-E200 HydrophobicContact CG1-CB 4.12Å; V192-E200 HydrophobicContact CG1-CG 4.02Å; H193-E200 VanDerWaalsContact CB-OE1 3.25Å; H193-E200 WeakPolarHBondContact CB-OE1 3.48Å; H193-E200 IonicContact CD2-OE1 3.77Å; H193-E200 PolarHBondContact CD2-OE1 2.76Å; H193-E200 IonicContact CG-OE1 2.68Å; H193-E200 PolarHBondContact N-OE1 3.07Å; G196-E200 VanDerWaalsContact CA-OE2 3.31Å; G196-E200 WeakPolarHBondContact CA-OE2 3.26Å; E197-E200 PolarHBondContact N-OE2 3.37Å; G198-E200 VanDerWaalsContact C-N 3.31Å; G198-E200 WeakPolarHBondContact CA-OE2 3.49Å; G198-E200 PolarHBondContact N-OE2 2.95Å |
| 201 | Y | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 153.1 | 167.8 | 68.7 | -90.4 | 0 | 0 | 0 | 110.7 | K11 L158 K160 L166 L176 L183 I194 C195 G196 G199 T203 | K11-Y201 HydrophobicContact CD-CE2 4.49Å; L158-Y201 HydrophobicContact CD1-CD2 4.13Å; L158-Y201 HydrophobicContact CD1-CE2 4.31Å; L158-Y201 HydrophobicContact CD2-CD2 4.38Å; L158-Y201 HydrophobicContact CD2-CG 4.33Å; L158-Y201 HydrophobicContact CG-CD2 3.84Å; L158-Y201 HydrophobicContact CG-CG 4.25Å; K160-Y201 CarbonylContact O-C 3.56Å; K160-Y201 WeakPolarHBondContact O-CA 3.28Å; K160-Y201 WeakPolarHBondContact O-CB 3.5Å; L166-Y201 HydrophobicContact CD1-CD1 4.37Å; L176-Y201 HydrophobicContact CD2-CE2 4.07Å; L183-Y201 HydrophobicContact CD1-CE1 3.86Å; L183-Y201 HydrophobicContact CD2-CD1 4.07Å; L183-Y201 HydrophobicContact CD2-CE1 3.83Å; L183-Y201 HydrophobicContact CG-CE1 4.5Å; I194-Y201 WeakPolarHBondContact O-CE1 3.45Å; I194-Y201 PolarHBondContact O-OH 2.83Å; C195-Y201 WeakPolarHBondContact CA-OH 3.33Å; G196-Y201 VanDerWaalsContact CA-CE1 3.5Å; G199-Y201 PolarHBondContact O-N 3.44Å; Y201-T203 HydrophobicContact CD2-CG2 3.76Å; Y201-T203 HydrophobicContact CE2-CG2 3.61Å |
| 202 | E | 94.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 12% | 0.121 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 158.3 | 170 | -59.4 | 176.2 | -157 | 0 | 0 | 109.8 | Q47 V49 L158 I159 K160 | Q47-E202 WeakPolarHBondContact CG-OE2 3.41Å; V49-E202 WeakPolarHBondContact CB-OE2 3.45Å; L158-E202 WeakPolarHBondContact CA-O 3.48Å; I159-E202 HydrophobicContact CG1-CB 4.19Å; I159-E202 PolarHBondContact N-O 3.43Å; K160-E202 HydrophobicContact CB-CB 3.81Å; K160-E202 HydrophobicContact CB-CG 4.08Å; K160-E202 HydrophobicContact CD-CG 3.97Å; K160-E202 VanDerWaalsContact CD-OE1 3.23Å; K160-E202 WeakPolarHBondContact CD-OE1 3.38Å; K160-E202 PolarHBondContact N-O 2.66Å; K160-E202 IonicContact NZ-OE1 2.81Å; K160-E202 PolarHBondContact NZ-OE1 3.1Å; K160-E202 PolarHBondContact O-N 2.89Å |
| 203 | T | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 160.3 | -177.2 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | G10 K11 Q47 I157 L158 L176 Y201 | G10-T203 VanDerWaalsContact CA-O 3.3Å; G10-T203 WeakPolarHBondContact CA-O 3.31Å; K11-T203 WeakPolarHBondContact CB-OG1 2.9Å; K11-T203 HydrophobicContact CD-CG2 4.07Å; K11-T203 PolarHBondContact N-OG1 3.09Å; Q47-T203 PolarHBondContact NE2-O 2.87Å; I157-T203 CarbonylContact O-C 3.41Å; I157-T203 WeakPolarHBondContact O-CA 3.39Å; I157-T203 VanDerWaalsContact O-CB 3.3Å; I157-T203 WeakPolarHBondContact O-CB 3.25Å; L158-T203 HydrophobicContact CD1-CG2 4.29Å; L176-T203 HydrophobicContact CD2-CG2 3.87Å; L176-T203 HydrophobicContact CG-CG2 4.39Å; Y201-T203 HydrophobicContact CD2-CG2 3.76Å; Y201-T203 HydrophobicContact CE2-CG2 3.61Å |
| 204 | F | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.1 | 166.1 | -167.9 | -94.6 | 0 | 0 | 0 | 110 | G9 A53 Y57 A156 I157 I159 L206 I215 F238 M241 | G9-F204 CarbonylContact O-C 3.59Å; G9-F204 VanDerWaalsContact O-CA 3.28Å; G9-F204 WeakPolarHBondContact O-CA 2.73Å; A53-F204 HydrophobicContact CB-CE1 4.22Å; A53-F204 HydrophobicContact CB-CE2 3.57Å; A53-F204 HydrophobicContact CB-CZ 3.35Å; Y57-F204 HydrophobicContact CD2-CZ 4.13Å; Y57-F204 AromaticContact CE2-CE1 3.95Å; Y57-F204 HydrophobicContact CE2-CE1 3.95Å; Y57-F204 AromaticContact CE2-CE2 3.86Å; Y57-F204 HydrophobicContact CE2-CE2 3.86Å; Y57-F204 AromaticContact CE2-CZ 3.43Å; Y57-F204 HydrophobicContact CE2-CZ 3.43Å; Y57-F204 VanDerWaalsContact CE2-CZ 3.43Å; A156-F204 VanDerWaalsContact CA-O 3.27Å; A156-F204 WeakPolarHBondContact CA-O 3.34Å; A156-F204 WeakPolarHBondContact CB-O 3.48Å; I157-F204 PolarHBondContact N-O 2.78Å; I157-F204 PolarHBondContact O-N 2.91Å; I159-F204 HydrophobicContact CD1-CB 3.98Å; I159-F204 HydrophobicContact CG1-CB 4.38Å; I159-F204 HydrophobicContact CG2-CB 3.49Å; I159-F204 VanDerWaalsContact CG2-CB 3.49Å; F204-L206 HydrophobicContact CD1-CD2 3.84Å; F204-L206 HydrophobicContact CE1-CD2 4.17Å; F204-I215 HydrophobicContact CE1-CD1 4.21Å; F204-I215 HydrophobicContact CE1-CG2 4.15Å; F204-I215 HydrophobicContact CZ-CD1 4.34Å; F204-F238 HydrophobicContact CB-CE2 4.38Å; F204-F238 HydrophobicContact CB-CZ 4.45Å; F204-F238 HydrophobicContact CG-CE2 4.26Å; F204-M241 HydrophobicContact CD1-CE 4.11Å; F204-M241 HydrophobicContact CE1-CE 3.58Å; F204-M241 HydrophobicContact CZ-CE 4.21Å |
| 205 | T | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.6 | 178.7 | -47.6 | 0 | 0 | 0 | 0 | 109.4 | G9 G10 C14 Y57 L154 Q155 A156 C208 | G9-T205 PolarHBondContact O-N 3.15Å; G10-T205 PolarHBondContact O-OG1 2.86Å; C14-T205 HydrophobicContact CB-CG2 4.18Å; C14-T205 VanDerWaalsContact SG-CB 3.58Å; C14-T205 PolarHBondContact SG-OG1 3.28Å; Y57-T205 WeakPolarHBondContact CE2-O 3.32Å; Y57-T205 WeakPolarHBondContact OH-CA 3.33Å; Y57-T205 WeakPolarHBondContact OH-CB 3.26Å; Y57-T205 PolarHBondContact OH-N 3.41Å; Y57-T205 VanDerWaalsContact OH-N 3.17Å; Y57-T205 PolarHBondContact OH-O 3.32Å; L154-T205 HydrophobicContact CD2-CG2 4.07Å; L154-T205 HydrophobicContact CG-CG2 4.02Å; Q155-T205 CarbonylContact O-C 3.59Å; Q155-T205 WeakPolarHBondContact O-CG2 3.49Å; A156-T205 HydrophobicContact CB-CG2 4.42Å; T205-C208 HydrophobicContact CG2-CB 4.36Å |
| 206 | L | 96.7 | Very high | 93 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 17% | 0.173 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -32.1 | 178.9 | -63 | 175.3 | 0 | 0 | 0 | 111.5 | Q155 I157 F204 I215 I217 M241 | Q155-L206 PolarHBondContact O-N 2.93Å; I157-L206 HydrophobicContact CD1-CD1 4.44Å; I157-L206 HydrophobicContact CG1-CD1 4.3Å; I157-L206 HydrophobicContact CG1-CG 4.47Å; I157-L206 HydrophobicContact CG2-CD1 3.86Å; F204-L206 HydrophobicContact CD1-CD2 3.84Å; F204-L206 HydrophobicContact CE1-CD2 4.17Å; L206-I215 HydrophobicContact CD2-CG2 4.4Å; L206-I215 PolarHBondContact O-N 3.08Å; L206-I217 HydrophobicContact CD1-CD1 4.25Å; L206-I217 HydrophobicContact CD2-CD1 3.75Å; L206-I217 HydrophobicContact CD2-CG1 3.89Å; L206-M241 HydrophobicContact CD2-CE 4.25Å |
| 207 | N | 96.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 144.9 | -178.6 | -176.8 | 31.9 | 0 | 0 | 0 | 111.1 | Q155 K214 K246 | Q155-N207 HydrophobicContact CB-CB 4.16Å; Q155-N207 WeakPolarHBondContact CB-O 3.26Å; Q155-N207 PolarHBondContact N-O 2.84Å; Q155-N207 PolarHBondContact O-N 2.99Å; Q155-N207 PolarHBondContact OE1-ND2 2.91Å; N207-K214 HydrophobicContact CB-CB 4.13Å; N207-K246 WeakPolarHBondContact OD1-CE 3.41Å; N207-K246 PolarHBondContact OD1-NZ 3.09Å |
| 208 | C | 94 | Very high | 93.7 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -150.7 | 172.8 | 167.7 | 74.8 | 0 | 0 | 0 | 0 | 109.6 | M18 T205 L210 F211 K246 | M18-C208 HydrophobicContact SD-CB 4.09Å; T205-C208 HydrophobicContact CG2-CB 4.36Å; C208-L210 PolarHBondContact O-N 3.4Å; C208-L210 VanDerWaalsContact O-N 3.16Å; C208-F211 PolarHBondContact O-N 3.02Å; C208-F211 VanDerWaalsContact O-N 3.08Å; C208-F211 WeakPolarHBondContact SG-CD1 3.38Å; C208-K246 PolarHBondContact O-NZ 2.77Å | ||
| 209 | P | 93.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 26% | 0.26 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | 179 | -27.5 | 36.4 | 0 | 0 | 0 | 115 | M18 S152 D153 F211 L255 | M18-P209 HydrophobicContact CE-CG 3.92Å; S152-P209 WeakPolarHBondContact O-CD 3.33Å; S152-P209 VanDerWaalsContact O-CG 3.31Å; S152-P209 WeakPolarHBondContact O-CG 3.48Å; D153-P209 HydrophobicContact CB-CG 4.26Å; P209-F211 VanDerWaalsContact C-N 3.33Å; P209-L255 HydrophobicContact CB-CD2 3.65Å; P209-L255 HydrophobicContact CB-CG 4.5Å; P209-L255 HydrophobicContact CG-CD2 4.08Å |
| 210 | L | 93.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 35.3 Ų | 35.3 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.7 | 177.4 | -61.5 | -177.2 | 0 | 0 | 0 | 113.6 | M17 M18 V21 M61 C208 L255 | M17-L210 HydrophobicContact CB-CD1 3.59Å; M18-L210 HydrophobicContact CB-CD1 4.47Å; M18-L210 HydrophobicContact CG-CD1 3.8Å; M18-L210 HydrophobicContact CG-CG 3.84Å; V21-L210 HydrophobicContact CB-CD2 4.16Å; V21-L210 HydrophobicContact CG1-CD2 4.27Å; V21-L210 HydrophobicContact CG2-CD1 4.34Å; V21-L210 HydrophobicContact CG2-CD2 3.84Å; M61-L210 HydrophobicContact CE-CB 4.06Å; M61-L210 HydrophobicContact CE-CD1 4.3Å; C208-L210 PolarHBondContact O-N 3.4Å; C208-L210 VanDerWaalsContact O-N 3.16Å; L210-L255 HydrophobicContact CD2-CD1 4Å |
| 211 | F | 94.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | trans | -81.3 | 135.7 | -177.8 | -71.1 | 10.6 | 0 | 0 | 0 | 110 | Y57 A60 M61 C208 P209 K213 I215 K246 | Y57-F211 HydrophobicContact CD1-CE1 4.5Å; Y57-F211 AromaticContact CD1-CZ 3.97Å; Y57-F211 HydrophobicContact CD1-CZ 3.97Å; Y57-F211 HydrophobicContact CD2-CZ 4.26Å; Y57-F211 AromaticContact CE1-CZ 3.82Å; Y57-F211 HydrophobicContact CE1-CZ 3.82Å; Y57-F211 HydrophobicContact CE2-CE2 4.28Å; Y57-F211 HydrophobicContact CE2-CZ 4.05Å; Y57-F211 HydrophobicContact CG-CZ 4.18Å; Y57-F211 AromaticContact CZ-CZ 3.82Å; A60-F211 HydrophobicContact CB-CB 4.33Å; A60-F211 HydrophobicContact CB-CD2 3.86Å; A60-F211 HydrophobicContact CB-CE2 4.3Å; A60-F211 HydrophobicContact CB-CG 4.02Å; A60-F211 CarbonylContact O-C 3.16Å; M61-F211 HydrophobicContact CG-CD1 3.57Å; M61-F211 HydrophobicContact CG-CE1 3.76Å; M61-F211 HydrophobicContact SD-CD1 4.16Å; M61-F211 HydrophobicContact SD-CE1 3.86Å; C208-F211 PolarHBondContact O-N 3.02Å; C208-F211 VanDerWaalsContact O-N 3.08Å; C208-F211 WeakPolarHBondContact SG-CD1 3.38Å; P209-F211 VanDerWaalsContact C-N 3.33Å; F211-K213 WeakPolarHBondContact CB-O 3.37Å; F211-I215 HydrophobicContact CE2-CD1 3.97Å; F211-K246 WeakPolarHBondContact O-CE 3.33Å; F211-K246 PolarHBondContact O-NZ 2.87Å | ||
| 212 | K | 93.6 | Very high | 94.7 | Very high | 115 Ų | 115 | 43.4 Ų | 43.4 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -82.6 | -31.1 | 169.6 | -60.1 | -178 | -174 | -177.8 | 0 | 111.6 | A60 E62 K246 | A60-K212 WeakPolarHBondContact O-CA 3.35Å; A60-K212 WeakPolarHBondContact O-CB 3.24Å; A60-K212 PolarHBondContact O-N 3.31Å; E62-K212 HydrophobicContact CB-CD 4.23Å; E62-K212 VanDerWaalsContact CD-CD 3.44Å; E62-K212 HydrophobicContact CG-CD 3.91Å; E62-K212 VanDerWaalsContact OE2-CD 3.25Å; E62-K212 WeakPolarHBondContact OE2-CD 3.39Å; E62-K212 WeakPolarHBondContact OE2-CE 3.41Å; E62-K212 IonicContact OE2-NZ 3.38Å; E62-K212 PolarHBondContact OE2-NZ 3.02Å; K212-K246 WeakPolarHBondContact O-CG 2.97Å |
| 213 | K | 95.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 24% | 0.239 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.8 | 175.2 | -50.9 | -174.6 | -177.6 | -179.7 | 0 | 110.2 | A60 F211 A243 E244 D245 | A60-K213 WeakPolarHBondContact CB-O 3.26Å; A60-K213 PolarHBondContact O-N 2.95Å; F211-K213 WeakPolarHBondContact CB-O 3.37Å; K213-A243 HydrophobicContact CB-CB 4.09Å; K213-A243 HydrophobicContact CD-CB 4.12Å; K213-E244 CarbonylContact C-O 3.56Å; K213-E244 VanDerWaalsContact CA-O 3.28Å; K213-E244 WeakPolarHBondContact CA-O 3.27Å; K213-E244 WeakPolarHBondContact CB-O 3.44Å; K213-D245 WeakPolarHBondContact CE-OD1 3.29Å; K213-D245 WeakPolarHBondContact CG-OD1 3.36Å |
| 214 | K | 95.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 48 Ų | 48 | 29% | 0.291 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 151.3 | 170 | 62.2 | 176 | -179.8 | 173.5 | 0 | 108.9 | N207 V216 A243 E244 | N207-K214 HydrophobicContact CB-CB 4.13Å; K214-V216 HydrophobicContact CD-CG2 4.45Å; K214-V216 HydrophobicContact CG-CG2 4.39Å; K214-A243 CarbonylContact O-C 3.6Å; K214-A243 WeakPolarHBondContact O-CA 3.48Å; K214-E244 WeakPolarHBondContact CE-OE1 3.19Å; K214-E244 WeakPolarHBondContact CE-OE2 3.37Å; K214-E244 HydrophobicContact CG-CB 4.15Å; K214-E244 PolarHBondContact N-O 2.82Å; K214-E244 IonicContact NZ-OE1 2.71Å; K214-E244 PolarHBondContact NZ-OE1 3.3Å; K214-E244 IonicContact NZ-OE2 3.39Å; K214-E244 PolarHBondContact NZ-OE2 3.48Å; K214-E244 PolarHBondContact O-N 3.29Å |
| 215 | I | 96.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.1 | 174.8 | -59.9 | 170.3 | 0 | 0 | 0 | 108.3 | L56 Y57 A60 F204 L206 F211 M241 | L56-I215 HydrophobicContact CB-CD1 3.86Å; L56-I215 HydrophobicContact CB-CG1 4.13Å; L56-I215 HydrophobicContact CB-CG2 4.47Å; L56-I215 HydrophobicContact CD1-CG2 3.82Å; Y57-I215 HydrophobicContact CD2-CD1 3.49Å; Y57-I215 VanDerWaalsContact CD2-CD1 3.49Å; Y57-I215 HydrophobicContact CE2-CD1 3.51Å; A60-I215 HydrophobicContact CB-CD1 4.38Å; A60-I215 HydrophobicContact CB-CG1 4.27Å; F204-I215 HydrophobicContact CE1-CD1 4.21Å; F204-I215 HydrophobicContact CE1-CG2 4.15Å; F204-I215 HydrophobicContact CZ-CD1 4.34Å; L206-I215 HydrophobicContact CD2-CG2 4.4Å; L206-I215 PolarHBondContact O-N 3.08Å; F211-I215 HydrophobicContact CE2-CD1 3.97Å; I215-M241 HydrophobicContact CG2-CE 3.42Å; I215-M241 VanDerWaalsContact CG2-CE 3.42Å |
| 216 | V | 96.1 | Very high | 93 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.5 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | K214 M241 H242 E244 | K214-V216 HydrophobicContact CD-CG2 4.45Å; K214-V216 HydrophobicContact CG-CG2 4.39Å; V216-M241 VanDerWaalsContact O-CA 3.28Å; V216-M241 WeakPolarHBondContact O-CA 3.39Å; V216-M241 WeakPolarHBondContact O-CB 3.32Å; V216-H242 PolarHBondContact N-O 3.34Å; V216-H242 PolarHBondContact O-N 2.97Å; V216-E244 HydrophobicContact CG2-CB 4.09Å |
| 217 | I | 95.1 | Very high | 92 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116.7 | 171.7 | -60.8 | 160.2 | 0 | 0 | 0 | 107.2 | I157 L206 A220 F238 M241 | I157-I217 HydrophobicContact CD1-CD1 3.38Å; L206-I217 HydrophobicContact CD1-CD1 4.25Å; L206-I217 HydrophobicContact CD2-CD1 3.75Å; L206-I217 HydrophobicContact CD2-CG1 3.89Å; I217-A220 HydrophobicContact CG2-CB 3.97Å; I217-F238 HydrophobicContact CD1-CD1 4.4Å; I217-F238 HydrophobicContact CD1-CE1 3.61Å; I217-F238 HydrophobicContact CD1-CZ 4.17Å; I217-F238 HydrophobicContact CG1-CD1 4.27Å; I217-F238 HydrophobicContact CG1-CE1 3.94Å; I217-F238 HydrophobicContact CG2-CD1 4.04Å; I217-F238 HydrophobicContact CG2-CE1 4.22Å; I217-M241 HydrophobicContact CD1-CE 4.46Å; I217-M241 HydrophobicContact CG1-CE 3.51Å; I217-M241 HydrophobicContact CG1-CG 4.37Å; I217-M241 HydrophobicContact CG1-SD 4.35Å |
| 218 | D | 93.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -46.1 | 176.2 | -61 | -56.2 | 0 | 0 | 0 | 110.3 | K240 H242 | D218-K240 HydrophobicContact CB-CB 4.03Å; D218-K240 HydrophobicContact CB-CD 3.92Å; D218-K240 HydrophobicContact CB-CG 3.88Å; D218-K240 WeakPolarHBondContact CB-O 3.38Å; D218-K240 PolarHBondContact N-O 2.85Å; D218-H242 IonicContact OD1-CE1 2.77Å; D218-H242 PolarHBondContact OD1-CE1 3.32Å; D218-H242 IonicContact OD1-ND1 3.92Å; D218-H242 PolarHBondContact OD1-ND1 2.85Å; D218-H242 IonicContact OD2-CE1 3.26Å; D218-H242 IonicContact OD2-CG 3.41Å; D218-H242 IonicContact OD2-ND1 2.88Å; D218-H242 PolarHBondContact OD2-ND1 2.8Å |
| 219 | E | 93.6 | Very high | 90.2 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 135.6 | -175.4 | -61.4 | 171.5 | -150.3 | 0 | 0 | 110.1 | T239 K240 | E219-T239 WeakPolarHBondContact CB-OG1 3.31Å; E219-T239 PolarHBondContact O-N 2.89Å; E219-T239 VanDerWaalsContact O-N 3.15Å; E219-T239 PolarHBondContact O-OG1 3.02Å; E219-K240 HydrophobicContact CB-CB 3.97Å; E219-K240 HydrophobicContact CG-CB 4.34Å; E219-K240 PolarHBondContact N-O 3.15Å; E219-K240 VanDerWaalsContact N-O 3.08Å; E219-K240 PolarHBondContact O-N 2.79Å |
| 220 | A | 93.2 | Very high | 89.2 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 149.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I217 H237 F238 | I217-A220 HydrophobicContact CG2-CB 3.97Å; A220-H237 WeakPolarHBondContact CA-O 3.47Å; A220-F238 HydrophobicContact CB-CD1 3.79Å; A220-F238 HydrophobicContact CB-CE1 4.24Å |
| 221 | E | 92.7 | Very high | 88.5 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 58% | 0.575 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.7 | 177.4 | -63.2 | -177.9 | 178.6 | 0 | 0 | 110.3 | L236 H237 T239 | E221-L236 WeakPolarHBondContact O-CA 3.47Å; E221-H237 PolarHBondContact N-O 3.45Å; E221-H237 PolarHBondContact O-N 2.84Å; E221-T239 HydrophobicContact CG-CG2 4.36Å |
| 222 | T | 92.4 | Very high | 88.1 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.7 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | L172 I224 | L172-T222 HydrophobicContact CD1-CG2 3.68Å; T222-I224 HydrophobicContact CG2-CD1 4Å |
| 223 | V | 90.7 | Very high | 87.9 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.9 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | G234 Y235 H237 | V223-G234 CarbonylContact O-C 3.53Å; V223-G234 WeakPolarHBondContact O-CA 3.45Å; V223-Y235 HydrophobicContact CB-CD1 4.42Å; V223-Y235 HydrophobicContact CB-CD2 4.18Å; V223-Y235 HydrophobicContact CB-CE1 4.03Å; V223-Y235 HydrophobicContact CB-CE2 3.75Å; V223-Y235 HydrophobicContact CB-CG 4.49Å; V223-Y235 HydrophobicContact CG1-CE1 3.9Å; V223-Y235 HydrophobicContact CG1-CE2 4.22Å; V223-Y235 HydrophobicContact CG2-CE2 3.92Å; V223-Y235 PolarHBondContact N-O 3.25Å; V223-Y235 PolarHBondContact O-N 3Å; V223-H237 HydrophobicContact CG2-CB 3.87Å |
| 224 | I | 89.4 | Confident | 87.7 | Confident | 78 Ų | 78 | 64.9 Ų | 64.9 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 110.1 | 173 | -55.2 | -57.7 | 0 | 0 | 0 | 108.1 | P168 T222 A227 | P168-I224 HydrophobicContact CB-CD1 3.64Å; P168-I224 HydrophobicContact CG-CD1 4.05Å; T222-I224 HydrophobicContact CG2-CD1 4Å; I224-A227 HydrophobicContact CG2-CB 4.13Å |
| 225 | H | 83.3 | Confident | 87.6 | Confident | 121 Ų | 121 | 63.1 Ų | 63.1 | 56% | 0.56 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -42.9 | 177.4 | -172.4 | 103 | 0 | 0 | 0 | 111 | E40 V233 Y235 | E40-H225 IonicContact OE2-CE1 2.87Å; E40-H225 PolarHBondContact OE2-CE1 2.8Å; E40-H225 IonicContact OE2-CG 3.31Å; E40-H225 IonicContact OE2-ND1 3.46Å; E40-H225 PolarHBondContact OE2-ND1 3.3Å; H225-V233 HydrophobicContact CB-CB 4.33Å; H225-V233 HydrophobicContact CB-CG1 4.07Å; H225-V233 PolarHBondContact N-O 3.47Å; H225-Y235 HydrophobicContact CB-CE1 4.28Å |
| 226 | S | 83.2 | Confident | 87.4 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 125.9 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | D228 P232 V233 | S226-D228 VanDerWaalsContact C-N 3.27Å; S226-D228 PolarHBondContact O-N 3.45Å; S226-D228 PolarHBondContact OG-N 3.01Å; S226-P232 CarbonylContact O-C 3.55Å; S226-P232 WeakPolarHBondContact O-CA 3.16Å; S226-V233 PolarHBondContact N-O 2.84Å; S226-V233 PolarHBondContact O-N 3.42Å |
| 227 | A | 76.6 | Confident | 87.1 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 72% | 0.719 | 37% | 0.367 | S | S | * | . | trans | -94.2 | 37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I224 A229 | I224-A227 HydrophobicContact CG2-CB 4.13Å; A227-A229 PolarHBondContact O-N 3.24Å | ||
| 228 | D | 79.6 | Confident | 86.9 | Confident | 75 Ų | 75 | 62.6 Ų | 62.6 | 40% | 0.401 | 36% | 0.357 | S | S | . | . | trans | -54.9 | 137 | 176.2 | -176.8 | -89 | 0 | 0 | 0 | 110.7 | S226 F230 A231 P232 | S226-D228 VanDerWaalsContact C-N 3.27Å; S226-D228 PolarHBondContact O-N 3.45Å; S226-D228 PolarHBondContact OG-N 3.01Å; D228-F230 PolarHBondContact O-N 3.25Å; D228-F230 WeakPolarHBondContact OD1-CA 3.38Å; D228-F230 WeakPolarHBondContact OD1-CB 3.41Å; D228-F230 PolarHBondContact OD1-N 2.88Å; D228-A231 PolarHBondContact OD1-N 3.1Å; D228-P232 WeakPolarHBondContact O-CD 3.48Å | ||
| 229 | A | 71.9 | Confident | 86.7 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 74% | 0.744 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -68.2 | -16.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A227 | A227-A229 PolarHBondContact O-N 3.24Š|
| 230 | F | 72.8 | Confident | 86.7 | Confident | 149 Ų | 149 | 62.8 Ų | 62.8 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -116.2 | -37.3 | -174 | -58.3 | -74.2 | 0 | 0 | 0 | 112.3 | F164 D228 | F164-F230 HydrophobicContact CD2-CB 3.95Å; F164-F230 WeakPolarHBondContact CD2-O 3.36Å; F164-F230 HydrophobicContact CE2-CB 3.89Å; F164-F230 HydrophobicContact CE2-CD1 4.16Å; D228-F230 PolarHBondContact O-N 3.25Å; D228-F230 WeakPolarHBondContact OD1-CA 3.38Å; D228-F230 WeakPolarHBondContact OD1-CB 3.41Å; D228-F230 PolarHBondContact OD1-N 2.88Å |
| 231 | A | 79.2 | Confident | 86.7 | Confident | 31 Ų | 31 | 62 Ų | 62 | 26% | 0.256 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -136.4 | 72.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D228 V233 | D228-A231 PolarHBondContact OD1-N 3.1Å; A231-V233 PolarHBondContact O-N 2.85Å |
| 232 | P | 86 | Confident | 86.8 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 20% | 0.195 | 34% | 0.336 | C | S | . | . | trans | -62.5 | 137.7 | 177.7 | 26.7 | -34 | 0 | 0 | 0 | 110.7 | P168 S226 D228 | P168-P232 HydrophobicContact CG-CB 4.1Å; P168-P232 HydrophobicContact CG-CG 4.38Å; S226-P232 CarbonylContact O-C 3.55Å; S226-P232 WeakPolarHBondContact O-CA 3.16Å; D228-P232 WeakPolarHBondContact O-CD 3.48Å | ||
| 233 | V | 88.4 | Confident | 86.9 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.1 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | V161 A162 H225 S226 A231 | V161-V233 WeakPolarHBondContact O-CA 3.46Å; A162-V233 HydrophobicContact CB-CG1 4.05Å; A162-V233 HydrophobicContact CB-CG2 4.01Å; H225-V233 HydrophobicContact CB-CB 4.33Å; H225-V233 HydrophobicContact CB-CG1 4.07Å; H225-V233 PolarHBondContact N-O 3.47Å; S226-V233 PolarHBondContact N-O 2.84Å; S226-V233 PolarHBondContact O-N 3.42Å; A231-V233 PolarHBondContact O-N 2.85Å |
| 234 | G | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K160 V161 V223 | K160-G234 WeakPolarHBondContact CA-O 3.3Å; V161-G234 PolarHBondContact N-O 3.5Å; V161-G234 PolarHBondContact O-N 3.25Å; V161-G234 VanDerWaalsContact O-N 3.11Å; V223-G234 CarbonylContact O-C 3.53Å; V223-G234 WeakPolarHBondContact O-CA 3.45Å |
| 235 | Y | 93 | Very high | 87.2 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 162.3 | -179.3 | 63.1 | -93.5 | 0 | 0 | 0 | 112.9 | V49 I159 V223 H225 H237 | V49-Y235 HydrophobicContact CG1-CD2 4.04Å; V49-Y235 HydrophobicContact CG1-CG 4.14Å; V49-Y235 HydrophobicContact CG2-CG 4.49Å; I159-Y235 CarbonylContact O-C 3.45Å; I159-Y235 WeakPolarHBondContact O-CA 3.48Å; I159-Y235 VanDerWaalsContact O-CB 3.27Å; I159-Y235 WeakPolarHBondContact O-CB 3.38Å; V223-Y235 HydrophobicContact CB-CD1 4.42Å; V223-Y235 HydrophobicContact CB-CD2 4.18Å; V223-Y235 HydrophobicContact CB-CE1 4.03Å; V223-Y235 HydrophobicContact CB-CE2 3.75Å; V223-Y235 HydrophobicContact CB-CG 4.49Å; V223-Y235 HydrophobicContact CG1-CE1 3.9Å; V223-Y235 HydrophobicContact CG1-CE2 4.22Å; V223-Y235 HydrophobicContact CG2-CE2 3.92Å; V223-Y235 PolarHBondContact N-O 3.25Å; V223-Y235 PolarHBondContact O-N 3Å; H225-Y235 HydrophobicContact CB-CE1 4.28Å; Y235-H237 HydrophobicContact CE2-CB 4.38Å |
| 236 | L | 92.4 | Very high | 87.4 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.4 | 173.2 | -67.1 | 179.8 | 0 | 0 | 0 | 110.2 | I157 I159 L172 E221 F238 | I157-L236 HydrophobicContact CD1-CD1 4.33Å; I159-L236 HydrophobicContact CB-CB 4.43Å; I159-L236 HydrophobicContact CG2-CD1 4.36Å; I159-L236 PolarHBondContact O-N 2.94Å; L172-L236 HydrophobicContact CB-CD1 4.35Å; L172-L236 HydrophobicContact CB-CD2 3.98Å; L172-L236 HydrophobicContact CB-CG 3.99Å; L172-L236 HydrophobicContact CD1-CD2 4.35Å; L172-L236 HydrophobicContact CD1-CG 4.44Å; L172-L236 HydrophobicContact CD2-CG 4.41Å; E221-L236 WeakPolarHBondContact O-CA 3.47Å; L236-F238 HydrophobicContact CB-CE1 4.18Å; L236-F238 HydrophobicContact CB-CZ 4.31Å; L236-F238 HydrophobicContact CD1-CE1 4.32Å |
| 237 | H | 90.4 | Very high | 86.5 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.2 | 167.9 | -177.5 | 80.6 | 0 | 0 | 0 | 109 | D39 A220 E221 V223 Y235 T239 | D39-H237 IonicContact OD2-CE1 3.38Å; D39-H237 PolarHBondContact OD2-CE1 3.06Å; D39-H237 IonicContact OD2-ND1 2.73Å; D39-H237 PolarHBondContact OD2-ND1 3.36Å; A220-H237 WeakPolarHBondContact CA-O 3.47Å; E221-H237 PolarHBondContact N-O 3.45Å; E221-H237 PolarHBondContact O-N 2.84Å; V223-H237 HydrophobicContact CG2-CB 3.87Å; Y235-H237 HydrophobicContact CE2-CB 4.38Å; H237-T239 PolarHBondContact O-N 3.1Å |
| 238 | F | 90.4 | Very high | 85.4 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.7 | 180 | -60.2 | -58.7 | 0 | 0 | 0 | 110.7 | A53 I157 I159 F204 I217 A220 L236 M241 | A53-F238 HydrophobicContact CB-CD2 4.48Å; I157-F238 HydrophobicContact CD1-CZ 4.4Å; I159-F238 HydrophobicContact CB-CZ 4.44Å; I159-F238 HydrophobicContact CG2-CE2 4.09Å; I159-F238 HydrophobicContact CG2-CZ 3.6Å; F204-F238 HydrophobicContact CB-CE2 4.38Å; F204-F238 HydrophobicContact CB-CZ 4.45Å; F204-F238 HydrophobicContact CG-CE2 4.26Å; I217-F238 HydrophobicContact CD1-CD1 4.4Å; I217-F238 HydrophobicContact CD1-CE1 3.61Å; I217-F238 HydrophobicContact CD1-CZ 4.17Å; I217-F238 HydrophobicContact CG1-CD1 4.27Å; I217-F238 HydrophobicContact CG1-CE1 3.94Å; I217-F238 HydrophobicContact CG2-CD1 4.04Å; I217-F238 HydrophobicContact CG2-CE1 4.22Å; A220-F238 HydrophobicContact CB-CD1 3.79Å; A220-F238 HydrophobicContact CB-CE1 4.24Å; L236-F238 HydrophobicContact CB-CE1 4.18Å; L236-F238 HydrophobicContact CB-CZ 4.31Å; L236-F238 HydrophobicContact CD1-CE1 4.32Å; F238-M241 HydrophobicContact CB-CG 4Å; F238-M241 HydrophobicContact CB-SD 3.57Å; F238-M241 VanDerWaalsContact CB-SD 3.57Å; F238-M241 HydrophobicContact CD1-CG 4.44Å; F238-M241 HydrophobicContact CD1-SD 3.83Å; F238-M241 HydrophobicContact CD2-SD 3.66Å; F238-M241 HydrophobicContact CE1-SD 4.44Å; F238-M241 HydrophobicContact CE2-SD 4.27Å; F238-M241 HydrophobicContact CG-CG 4.28Å; F238-M241 HydrophobicContact CG-SD 3.4Å; F238-M241 WeakPolarHBondContact CG-SD 3.44Å |
| 239 | T | 89.5 | Confident | 83.7 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -30.4 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | E219 E221 H237 | E219-T239 WeakPolarHBondContact CB-OG1 3.31Å; E219-T239 PolarHBondContact O-N 2.89Å; E219-T239 VanDerWaalsContact O-N 3.15Å; E219-T239 PolarHBondContact O-OG1 3.02Å; E221-T239 HydrophobicContact CG-CG2 4.36Å; H237-T239 PolarHBondContact O-N 3.1Å |
| 240 | K | 93.3 | Very high | 82.4 | Confident | 110 Ų | 110 | 64.3 Ų | 64.3 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 128.1 | 179.6 | -166.3 | -178.6 | 174 | -173.7 | 0 | 112.6 | D218 E219 | D218-K240 HydrophobicContact CB-CB 4.03Å; D218-K240 HydrophobicContact CB-CD 3.92Å; D218-K240 HydrophobicContact CB-CG 3.88Å; D218-K240 WeakPolarHBondContact CB-O 3.38Å; D218-K240 PolarHBondContact N-O 2.85Å; E219-K240 HydrophobicContact CB-CB 3.97Å; E219-K240 HydrophobicContact CG-CB 4.34Å; E219-K240 PolarHBondContact N-O 3.15Å; E219-K240 VanDerWaalsContact N-O 3.08Å; E219-K240 PolarHBondContact O-N 2.79Å |
| 241 | M | 94.1 | Very high | 80.8 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.5 | 177.5 | -60.6 | -178.3 | 72.6 | 0 | 0 | 109.7 | A53 L56 F204 L206 I215 V216 I217 F238 | A53-M241 HydrophobicContact CB-CE 4.16Å; A53-M241 HydrophobicContact CB-SD 3.49Å; A53-M241 WeakPolarHBondContact CB-SD 3.49Å; L56-M241 HydrophobicContact CD1-CB 3.49Å; L56-M241 VanDerWaalsContact CD1-CB 3.49Å; F204-M241 HydrophobicContact CD1-CE 4.11Å; F204-M241 HydrophobicContact CE1-CE 3.58Å; F204-M241 HydrophobicContact CZ-CE 4.21Å; L206-M241 HydrophobicContact CD2-CE 4.25Å; I215-M241 HydrophobicContact CG2-CE 3.42Å; I215-M241 VanDerWaalsContact CG2-CE 3.42Å; V216-M241 VanDerWaalsContact O-CA 3.28Å; V216-M241 WeakPolarHBondContact O-CA 3.39Å; V216-M241 WeakPolarHBondContact O-CB 3.32Å; I217-M241 HydrophobicContact CD1-CE 4.46Å; I217-M241 HydrophobicContact CG1-CE 3.51Å; I217-M241 HydrophobicContact CG1-CG 4.37Å; I217-M241 HydrophobicContact CG1-SD 4.35Å; F238-M241 HydrophobicContact CB-CG 4Å; F238-M241 HydrophobicContact CB-SD 3.57Å; F238-M241 VanDerWaalsContact CB-SD 3.57Å; F238-M241 HydrophobicContact CD1-CG 4.44Å; F238-M241 HydrophobicContact CD1-SD 3.83Å; F238-M241 HydrophobicContact CD2-SD 3.66Å; F238-M241 HydrophobicContact CE1-SD 4.44Å; F238-M241 HydrophobicContact CE2-SD 4.27Å; F238-M241 HydrophobicContact CG-CG 4.28Å; F238-M241 HydrophobicContact CG-SD 3.4Å; F238-M241 WeakPolarHBondContact CG-SD 3.44Å |
| 242 | H | 94.8 | Very high | 79.2 | Confident | 70 Ų | 70 | 65.9 Ų | 65.9 | 32% | 0.324 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 161.6 | 173.4 | 70.2 | -83.9 | 0 | 0 | 0 | 112.4 | V216 D218 | V216-H242 PolarHBondContact N-O 3.34Å; V216-H242 PolarHBondContact O-N 2.97Å; D218-H242 IonicContact OD1-CE1 2.77Å; D218-H242 PolarHBondContact OD1-CE1 3.32Å; D218-H242 IonicContact OD1-ND1 3.92Å; D218-H242 PolarHBondContact OD1-ND1 2.85Å; D218-H242 IonicContact OD2-CE1 3.26Å; D218-H242 IonicContact OD2-CG 3.41Å; D218-H242 IonicContact OD2-ND1 2.88Å; D218-H242 PolarHBondContact OD2-ND1 2.8Å |
| 243 | A | 94.8 | Very high | 77.3 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 24% | 0.24 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D59 K213 K214 | D59-A243 HydrophobicContact CB-CB 4.47Å; K213-A243 HydrophobicContact CB-CB 4.09Å; K213-A243 HydrophobicContact CD-CB 4.12Å; K214-A243 CarbonylContact O-C 3.6Å; K214-A243 WeakPolarHBondContact O-CA 3.48Å |
| 244 | E | 94.4 | Very high | 75.3 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 24% | 0.238 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.5 | 179.1 | -170.1 | -165.7 | 135.7 | 0 | 0 | 109.7 | K213 K214 V216 H247 | K213-E244 CarbonylContact C-O 3.56Å; K213-E244 VanDerWaalsContact CA-O 3.28Å; K213-E244 WeakPolarHBondContact CA-O 3.27Å; K213-E244 WeakPolarHBondContact CB-O 3.44Å; K214-E244 WeakPolarHBondContact CE-OE1 3.19Å; K214-E244 WeakPolarHBondContact CE-OE2 3.37Å; K214-E244 HydrophobicContact CG-CB 4.15Å; K214-E244 PolarHBondContact N-O 2.82Å; K214-E244 IonicContact NZ-OE1 2.71Å; K214-E244 PolarHBondContact NZ-OE1 3.3Å; K214-E244 IonicContact NZ-OE2 3.39Å; K214-E244 PolarHBondContact NZ-OE2 3.48Å; K214-E244 PolarHBondContact O-N 3.29Å; V216-E244 HydrophobicContact CG2-CB 4.09Å; E244-H247 IonicContact OE1-CD2 3.09Å; E244-H247 PolarHBondContact OE1-CD2 2.65Å; E244-H247 IonicContact OE1-NE2 3.96Å |
| 245 | D | 91.7 | Very high | 73.6 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 145.4 | 175.7 | -68 | -44.2 | 0 | 0 | 0 | 111.3 | K213 H247 | K213-D245 WeakPolarHBondContact CE-OD1 3.29Å; K213-D245 WeakPolarHBondContact CG-OD1 3.36Å; D245-H247 PolarHBondContact O-N 3.18Å |
| 246 | K | 88 | Confident | 71.4 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 29% | 0.291 | 44% | 0.437 | S | S | . | . | trans | -76 | 115.7 | 176.7 | -66.9 | 178.2 | 176.9 | -172.5 | 0 | 109.2 | N207 C208 F211 K212 S248 | N207-K246 WeakPolarHBondContact OD1-CE 3.41Å; N207-K246 PolarHBondContact OD1-NZ 3.09Å; C208-K246 PolarHBondContact O-NZ 2.77Å; F211-K246 WeakPolarHBondContact O-CE 3.33Å; F211-K246 PolarHBondContact O-NZ 2.87Å; K212-K246 WeakPolarHBondContact O-CG 2.97Å; K246-S248 PolarHBondContact O-N 2.99Å | ||
| 247 | H | 63.4 | Low | 69.3 | Low | 171 Ų | 171 | 85.6 Ų | 85.6 | 79% | 0.792 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -71.1 | 33.3 | -176.1 | -78.1 | -57 | 0 | 0 | 0 | 116.3 | E244 D245 | E244-H247 IonicContact OE1-CD2 3.09Å; E244-H247 PolarHBondContact OE1-CD2 2.65Å; E244-H247 IonicContact OE1-NE2 3.96Å; D245-H247 PolarHBondContact O-N 3.18Å |
| 248 | S | 53.6 | Low | 67.5 | Low | 78 Ų | 78 | 85.8 Ų | 85.8 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -147.1 | 139.6 | 170.2 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | K246 A250 | K246-S248 PolarHBondContact O-N 2.99Å; S248-A250 PolarHBondContact O-N 2.86Å; S248-A250 WeakPolarHBondContact OG-CB 3.29Å |
| 249 | D | 44.2 | Very low | 66.3 | Low | 169 Ų | 169 | 88.9 Ų | 88.9 | 90% | 0.904 | 51% | 0.507 | S | S | * | . | trans | -63 | 48.8 | 152.5 | -84.2 | -28.9 | 0 | 0 | 0 | 109.7 | V251 | D249-V251 PolarHBondContact O-N 2.78Š| ||
| 250 | A | 44.3 | Very low | 65.8 | Low | 57 Ų | 57 | 87.6 Ų | 87.6 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | trans | -67.5 | 80 | 155.3 | 0 | 0 | 0 | 0 | 0 | 104.6 | S248 A252 | S248-A250 PolarHBondContact O-N 2.86Å; S248-A250 WeakPolarHBondContact OG-CB 3.29Å; A250-A252 PolarHBondContact O-N 2.8Å | ||
| 251 | V | 40.1 | Very low | 65.2 | Low | 125 Ų | 125 | 84 Ų | 84 | 76% | 0.758 | 49% | 0.488 | S | S | * | . | trans | -24.1 | 114.6 | 153.6 | 173.6 | 0 | 0 | 0 | 0 | 105 | D249 R253 | D249-V251 PolarHBondContact O-N 2.78Å; V251-R253 WeakPolarHBondContact O-CA 3.5Å; V251-R253 PolarHBondContact O-N 3.34Å | ||
| 252 | A | 44.6 | Very low | 64.6 | Low | 88 Ų | 88 | 82.9 Ų | 82.9 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | trans | -33.1 | 98.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | A250 A254 | A250-A252 PolarHBondContact O-N 2.8Å; A252-A254 VanDerWaalsContact C-N 3.32Å; A252-A254 PolarHBondContact O-N 2.82Å | ||
| 253 | R | 45.9 | Very low | 64.1 | Low | 193 Ų | 193 | 83.7 Ų | 83.7 | 73% | 0.728 | 49% | 0.487 | S | S | * | . | trans | -58.7 | 115.6 | -177.9 | -81.8 | -176 | -173.5 | 165.2 | 1.6 | 100.2 | V251 L255 | V251-R253 WeakPolarHBondContact O-CA 3.5Å; V251-R253 PolarHBondContact O-N 3.34Å; R253-L255 PolarHBondContact O-N 3.05Å | ||
| 254 | A | 47.6 | Very low | 63.5 | Low | 70 Ų | 70 | 83.8 Ų | 83.8 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | trans | -43.1 | 117.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 103.9 | A252 P256 | A252-A254 VanDerWaalsContact C-N 3.32Å; A252-A254 PolarHBondContact O-N 2.82Å; A254-P256 WeakPolarHBondContact O-CA 3.31Å | ||
| 255 | L | 54.4 | Low | 62.8 | Low | 27 Ų | 27 | 83.1 Ų | 83.1 | 14% | 0.141 | 49% | 0.489 | C | S | . | . | trans | -34.7 | 116.4 | -176 | -88.6 | 161.3 | 0 | 0 | 0 | 104.7 | M18 V21 P209 L210 R253 H257 | M18-L255 HydrophobicContact CB-CD2 4.17Å; M18-L255 HydrophobicContact CE-CD2 3.78Å; M18-L255 HydrophobicContact CG-CD2 4.11Å; V21-L255 HydrophobicContact CB-CD1 3.72Å; V21-L255 HydrophobicContact CG1-CD1 3.52Å; P209-L255 HydrophobicContact CB-CD2 3.65Å; P209-L255 HydrophobicContact CB-CG 4.5Å; P209-L255 HydrophobicContact CG-CD2 4.08Å; L210-L255 HydrophobicContact CD2-CD1 4Å; R253-L255 PolarHBondContact O-N 3.05Å; L255-H257 PolarHBondContact O-N 2.59Å | ||
| 256 | P | 46.8 | Very low | 62.4 | Low | 72 Ų | 72 | 78.8 Ų | 78.8 | 47% | 0.468 | 47% | 0.466 | S | S | . | . | trans | -45.9 | 115.3 | -170.3 | 14 | -27.4 | 0 | 0 | 0 | 104.7 | A254 G258 | A254-P256 WeakPolarHBondContact O-CA 3.31Å; P256-G258 PolarHBondContact O-N 2.97Å | ||
| 257 | H | 49.4 | Very low | 62.2 | Low | 157 Ų | 157 | 78.6 Ų | 78.6 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | trans | -70.9 | 70.2 | -178.5 | -74.1 | -65.7 | 0 | 0 | 0 | 104.1 | L255 S259 | L255-H257 PolarHBondContact O-N 2.59Å; H257-S259 PolarHBondContact O-N 2.85Å | ||
| 258 | G | 52.5 | Low | 63.1 | Low | 60 Ų | 60 | 76.9 Ų | 76.9 | 62% | 0.619 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 127 | 161.5 | 0 | 0 | 0 | 0 | 0 | 104 | P256 C260 | P256-G258 PolarHBondContact O-N 2.97Å; G258-C260 PolarHBondContact O-N 2.82Å |
| 259 | S | 64.1 | Low | 64.5 | Low | 76 Ų | 76 | 74.2 Ų | 74.2 | 53% | 0.531 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 123.1 | 176.5 | 47.9 | 0 | 0 | 0 | 0 | 107.2 | H257 S264 | H257-S259 PolarHBondContact O-N 2.85Å; S259-S264 WeakPolarHBondContact CB-OG 3.34Å; S259-S264 PolarHBondContact OG-OG 2.74Å |
| 260 | C | 80.8 | Confident | 66.1 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 27% | 0.27 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 131.6 | 179.2 | 167.9 | 0 | 0 | 0 | 0 | 108.4 | G258 C262 Q263 S264 C458 | G258-C260 PolarHBondContact O-N 2.82Å; C260-C262 PolarHBondContact O-N 2.96Å; C260-C262 VanDerWaalsContact O-N 3.08Å; C260-Q263 HydrophobicContact CB-CB 3.96Å; C260-Q263 CarbonylContact O-C 3.58Å; C260-Q263 WeakPolarHBondContact O-CA 3.41Å; C260-Q263 WeakPolarHBondContact O-CB 3.36Å; C260-Q263 PolarHBondContact O-N 2.77Å; C260-S264 PolarHBondContact O-N 3.03Å; C260-S264 PolarHBondContact O-OG 3.09Å; C260-C458 PolarHBondContact SG-SG 2.92Å |
| 261 | P | 80.4 | Confident | 67.5 | Low | 34 Ų | 34 | 71.7 Ų | 71.7 | 22% | 0.221 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -53.6 | -35.6 | -177.6 | -28.4 | 34.1 | 0 | 0 | 0 | 113.1 | A265 H428 | P261-A265 WeakPolarHBondContact O-CB 3.19Å; P261-A265 PolarHBondContact O-N 2.82Å; P261-H428 HydrophobicContact CB-CB 4.43Å |
| 262 | C | 81.8 | Confident | 68.5 | Low | 8 Ų | 8 | 71.5 Ų | 71.5 | 5% | 0.054 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 173.6 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | C260 A265 I266 H428 V456 C458 | C260-C262 PolarHBondContact O-N 2.96Å; C260-C262 VanDerWaalsContact O-N 3.08Å; C262-A265 PolarHBondContact O-N 2.92Å; C262-I266 WeakPolarHBondContact O-CD1 3.28Å; C262-I266 VanDerWaalsContact O-CG1 3.25Å; C262-I266 WeakPolarHBondContact O-CG1 3.28Å; C262-I266 PolarHBondContact O-N 2.92Å; C262-I266 VanDerWaalsContact O-N 3.07Å; C262-H428 PolarHBondContact SG-ND1 3.09Å; C262-H428 PolarHBondContact SG-O 2.89Å; C262-V456 HydrophobicContact CB-CG1 3.67Å; C262-C458 VanDerWaalsContact SG-SG 3.61Å |
| 263 | Q | 83.1 | Confident | 69.2 | Low | 87 Ų | 87 | 69.2 Ų | 69.2 | 41% | 0.407 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 177 | -169.9 | 60.5 | 51.8 | 0 | 0 | 110.9 | C260 A265 I266 D267 | C260-Q263 HydrophobicContact CB-CB 3.96Å; C260-Q263 CarbonylContact O-C 3.58Å; C260-Q263 WeakPolarHBondContact O-CA 3.41Å; C260-Q263 WeakPolarHBondContact O-CB 3.36Å; C260-Q263 PolarHBondContact O-N 2.77Å; Q263-A265 VanDerWaalsContact C-N 3.25Å; Q263-A265 PolarHBondContact O-N 3.12Å; Q263-I266 CarbonylContact O-C 3.53Å; Q263-I266 WeakPolarHBondContact O-CA 3.36Å; Q263-I266 WeakPolarHBondContact O-CB 3.45Å; Q263-I266 PolarHBondContact O-N 3.1Å; Q263-D267 PolarHBondContact NE2-OD1 3.1Å; Q263-D267 PolarHBondContact O-N 3.2Å |
| 264 | S | 81.8 | Confident | 69.7 | Low | 31 Ų | 31 | 67.3 Ų | 67.3 | 22% | 0.217 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59 | -36.3 | 175.6 | -59.6 | 0 | 0 | 0 | 0 | 113 | S259 C260 K268 | S259-S264 WeakPolarHBondContact CB-OG 3.34Å; S259-S264 PolarHBondContact OG-OG 2.74Å; C260-S264 PolarHBondContact O-N 3.03Å; C260-S264 PolarHBondContact O-OG 3.09Å; S264-K268 WeakPolarHBondContact O-CG 3.45Å; S264-K268 PolarHBondContact O-N 3.34Å |
| 265 | A | 80.6 | Confident | 69.8 | Low | 37 Ų | 37 | 74.7 Ų | 74.7 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P261 C262 Q263 M269 | P261-A265 WeakPolarHBondContact O-CB 3.19Å; P261-A265 PolarHBondContact O-N 2.82Å; C262-A265 PolarHBondContact O-N 2.92Å; Q263-A265 VanDerWaalsContact C-N 3.25Å; Q263-A265 PolarHBondContact O-N 3.12Å; A265-M269 VanDerWaalsContact O-CG 3.27Å; A265-M269 WeakPolarHBondContact O-CG 3.34Å; A265-M269 PolarHBondContact O-N 3.34Å |
| 266 | I | 84.1 | Confident | 69.3 | Low | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 177.6 | -67.6 | 160.9 | 0 | 0 | 0 | 111.6 | C262 Q263 K268 M269 T270 V456 V463 V469 L473 | C262-I266 WeakPolarHBondContact O-CD1 3.28Å; C262-I266 VanDerWaalsContact O-CG1 3.25Å; C262-I266 WeakPolarHBondContact O-CG1 3.28Å; C262-I266 PolarHBondContact O-N 2.92Å; C262-I266 VanDerWaalsContact O-N 3.07Å; Q263-I266 CarbonylContact O-C 3.53Å; Q263-I266 WeakPolarHBondContact O-CA 3.36Å; Q263-I266 WeakPolarHBondContact O-CB 3.45Å; Q263-I266 PolarHBondContact O-N 3.1Å; I266-K268 VanDerWaalsContact C-N 3.33Å; I266-K268 PolarHBondContact O-N 2.99Å; I266-M269 WeakPolarHBondContact O-CB 3.45Å; I266-M269 PolarHBondContact O-N 3.28Å; I266-T270 PolarHBondContact O-N 3.3Å; I266-T270 PolarHBondContact O-OG1 2.57Å; I266-V456 HydrophobicContact CD1-CB 4.38Å; I266-V456 HydrophobicContact CD1-CG1 4.09Å; I266-V456 HydrophobicContact CD1-CG2 3.54Å; I266-V463 HydrophobicContact CD1-CG2 4.34Å; I266-V463 HydrophobicContact CG2-CG2 3.69Å; I266-V469 HydrophobicContact CG2-CG1 4.33Å; I266-L473 HydrophobicContact CD1-CD2 4.44Å; I266-L473 HydrophobicContact CG1-CD2 4.42Å |
| 267 | D | 83.3 | Confident | 69 | Low | 62 Ų | 62 | 80.4 Ų | 80.4 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 178.7 | -63 | -22 | 0 | 0 | 0 | 109.8 | Q263 M269 T270 E271 | Q263-D267 PolarHBondContact NE2-OD1 3.1Å; Q263-D267 PolarHBondContact O-N 3.2Å; D267-M269 PolarHBondContact O-N 3.05Å; D267-T270 WeakPolarHBondContact O-CB 3.42Å; D267-T270 PolarHBondContact O-N 3.2Å; D267-T270 VanDerWaalsContact O-N 3.07Å; D267-E271 WeakPolarHBondContact O-CG 3.5Å; D267-E271 PolarHBondContact O-N 2.75Å |
| 268 | K | 81.1 | Confident | 68.4 | Low | 136 Ų | 136 | 82.4 Ų | 82.4 | 59% | 0.591 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.8 | -45.8 | 172.8 | -72.2 | 175.8 | -178.8 | -174.2 | 0 | 112.7 | S264 I266 T270 E271 E272 | S264-K268 WeakPolarHBondContact O-CG 3.45Å; S264-K268 PolarHBondContact O-N 3.34Å; I266-K268 VanDerWaalsContact C-N 3.33Å; I266-K268 PolarHBondContact O-N 2.99Å; K268-T270 PolarHBondContact O-N 3.01Å; K268-E271 PolarHBondContact O-N 3.07Å; K268-E272 VanDerWaalsContact O-CG 3.32Å; K268-E272 WeakPolarHBondContact O-CG 3.5Å; K268-E272 PolarHBondContact O-N 2.84Å; K268-E272 VanDerWaalsContact O-N 3.09Å |
| 269 | M | 83.9 | Confident | 67.6 | Low | 22 Ų | 22 | 84.1 Ų | 84.1 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.3 | -34.3 | 175.9 | -65.9 | 173.4 | -172.7 | 0 | 0 | 111.9 | A265 I266 D267 V273 V469 Q472 L473 | A265-M269 VanDerWaalsContact O-CG 3.27Å; A265-M269 WeakPolarHBondContact O-CG 3.34Å; A265-M269 PolarHBondContact O-N 3.34Å; I266-M269 WeakPolarHBondContact O-CB 3.45Å; I266-M269 PolarHBondContact O-N 3.28Å; D267-M269 PolarHBondContact O-N 3.05Å; M269-V273 WeakPolarHBondContact O-CG2 3.18Å; M269-V273 PolarHBondContact O-N 3.36Å; M269-V469 HydrophobicContact CB-CG1 4.29Å; M269-Q472 VanDerWaalsContact CB-OE1 3.26Å; M269-Q472 HydrophobicContact CE-CG 4.41Å; M269-Q472 VanDerWaalsContact CG-CD 3.48Å; M269-Q472 HydrophobicContact CG-CG 3.99Å; M269-Q472 HydrophobicContact SD-CB 4.27Å; M269-Q472 HydrophobicContact SD-CG 4.06Å; M269-L473 HydrophobicContact CE-CD1 4.39Å; M269-L473 HydrophobicContact SD-CB 4.26Å |
| 270 | T | 78.6 | Confident | 66.2 | Low | 43 Ų | 43 | 89.5 Ų | 89.5 | 26% | 0.264 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76 | -44.2 | -179.4 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | I266 D267 K268 E272 V273 E274 | I266-T270 PolarHBondContact O-N 3.3Å; I266-T270 PolarHBondContact O-OG1 2.57Å; D267-T270 WeakPolarHBondContact O-CB 3.42Å; D267-T270 PolarHBondContact O-N 3.2Å; D267-T270 VanDerWaalsContact O-N 3.07Å; K268-T270 PolarHBondContact O-N 3.01Å; T270-E272 VanDerWaalsContact C-N 3.31Å; T270-E272 PolarHBondContact O-N 2.78Å; T270-V273 PolarHBondContact O-N 3.31Å; T270-E274 PolarHBondContact O-N 3.34Å |
| 271 | E | 72.1 | Confident | 64.1 | Low | 129 Ų | 129 | 92.4 Ų | 92.4 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60 | -39.8 | 176.1 | -72.9 | 176.9 | -177.3 | 0 | 0 | 112 | D267 K268 V273 E274 | D267-E271 WeakPolarHBondContact O-CG 3.5Å; D267-E271 PolarHBondContact O-N 2.75Å; K268-E271 PolarHBondContact O-N 3.07Å; E271-V273 VanDerWaalsContact C-N 3.26Å; E271-V273 PolarHBondContact O-N 2.94Å; E271-E274 PolarHBondContact O-N 3.41Å |
| 272 | E | 61.2 | Low | 61.8 | Low | 122 Ų | 122 | 96.8 Ų | 96.8 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -33.6 | 173.8 | -75 | 172 | -174.5 | 0 | 0 | 112.4 | K268 T270 Q472 | K268-E272 VanDerWaalsContact O-CG 3.32Å; K268-E272 WeakPolarHBondContact O-CG 3.5Å; K268-E272 PolarHBondContact O-N 2.84Å; K268-E272 VanDerWaalsContact O-N 3.09Å; T270-E272 VanDerWaalsContact C-N 3.31Å; T270-E272 PolarHBondContact O-N 2.78Å; E272-Q472 PolarHBondContact OE2-NE2 3.32Å |
| 273 | V | 59.4 | Low | 59.5 | Low | 39 Ų | 39 | 103.3 Ų | 103.3 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -82.9 | -34.7 | -179.4 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | M269 T270 E271 Y275 A276 S468 V469 | M269-V273 WeakPolarHBondContact O-CG2 3.18Å; M269-V273 PolarHBondContact O-N 3.36Å; T270-V273 PolarHBondContact O-N 3.31Å; E271-V273 VanDerWaalsContact C-N 3.26Å; E271-V273 PolarHBondContact O-N 2.94Å; V273-Y275 PolarHBondContact O-N 2.64Å; V273-A276 WeakPolarHBondContact O-CB 3.23Å; V273-A276 PolarHBondContact O-N 3.35Å; V273-S468 WeakPolarHBondContact CG1-OG 3.24Å; V273-V469 HydrophobicContact CG2-CG2 4.22Å |
| 274 | E | 56.1 | Low | 57.1 | Low | 154 Ų | 154 | 107 Ų | 107 | 72% | 0.72 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -21.1 | 178.9 | -76.6 | -171.3 | 171.9 | 0 | 0 | 113 | T270 E271 A276 | T270-E274 PolarHBondContact O-N 3.34Å; E271-E274 PolarHBondContact O-N 3.41Å; E274-A276 VanDerWaalsContact C-N 3.34Å |
| 275 | Y | 50.4 | Low | 54.9 | Low | 225 Ų | 225 | 114.1 Ų | 114.1 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -11 | 170.5 | -94.8 | -91.2 | 0 | 0 | 0 | 114.4 | V273 | V273-Y275 PolarHBondContact O-N 2.64Š|
| 276 | A | 43.9 | Very low | 52.9 | Low | 68 Ų | 68 | 119.1 Ų | 119.1 | 56% | 0.562 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -20.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | V273 E274 | V273-A276 WeakPolarHBondContact O-CB 3.23Å; V273-A276 PolarHBondContact O-N 3.35Å; E274-A276 VanDerWaalsContact C-N 3.34Å |
| 277 | D | 40.3 | Very low | 50.4 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 63% | 0.625 | S | S | * | * | trans | 179.1 | 140.3 | 162.7 | -102.7 | -29.4 | 0 | 0 | 0 | 113.8 | ||||
| 278 | Q | 36 | Very low | 48.2 | Very low | 199 Ų | 199 | 124.5 Ų | 124.5 | 93% | 0.93 | 63% | 0.627 | S | S | * | * | trans | -98.3 | 108.8 | 163.2 | -72.4 | -177 | -5.3 | 0 | 0 | 109.2 | ||||
| 279 | A | 36 | Very low | 46 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -138.3 | 130.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 280 | E | 35.8 | Very low | 43.8 | Very low | 190 Ų | 190 | 128.1 Ų | 128.1 | 89% | 0.888 | 66% | 0.658 | S | S | * | * | trans | -68.4 | 134.3 | -176.1 | -69.5 | -178.9 | 157.8 | 0 | 0 | 113 | N282 | E280-N282 PolarHBondContact O-N 3.37Š| ||
| 281 | D | 35.5 | Very low | 41.9 | Very low | 100 Ų | 100 | 133 Ų | 133 | 54% | 0.535 | 68% | 0.682 | S | S | . | * | trans | -85.9 | 92.2 | -175.9 | -168.2 | 15.8 | 0 | 0 | 0 | 111.6 | R505 | D281-R505 IonicContact OD1-CZ 2.62Å; D281-R505 IonicContact OD1-NH1 3.82Å; D281-R505 IonicContact OD1-NH2 2.68Å; D281-R505 PolarHBondContact OD1-NH2 2.91Å | ||
| 282 | N | 31.9 | Very low | 40.6 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | trans | -89.4 | 102 | 167.1 | -83.1 | -39.2 | 0 | 0 | 0 | 109.9 | E280 H284 R505 | E280-N282 PolarHBondContact O-N 3.37Å; N282-H284 PolarHBondContact O-N 2.76Å; N282-H284 VanDerWaalsContact O-N 3.14Å; N282-R505 PolarHBondContact O-NH1 3.29Å | ||
| 283 | Q | 34.4 | Very low | 39.5 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | trans | -68 | 103.2 | -179.6 | -67.5 | 179.3 | 2.6 | 0 | 0 | 112 | ||||
| 284 | H | 33.5 | Very low | 38.5 | Very low | 166 Ų | 166 | 126 Ų | 126 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | -102.1 | 96.7 | 157.7 | -88.5 | -66.7 | 0 | 0 | 0 | 108.7 | N282 F286 | N282-H284 PolarHBondContact O-N 2.76Å; N282-H284 VanDerWaalsContact O-N 3.14Å; H284-F286 PolarHBondContact O-N 3.41Å | ||
| 285 | K | 35.4 | Very low | 37.7 | Very low | 179 Ų | 179 | 126 Ų | 126 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | trans | -64.2 | 127.7 | 164.4 | -88.6 | -178 | 172.6 | -176.8 | 0 | 108.2 | T287 | K285-T287 VanDerWaalsContact C-N 3.31Å; K285-T287 PolarHBondContact O-N 3.14Å | ||
| 286 | F | 37.7 | Very low | 37.6 | Very low | 143 Ų | 143 | 118.3 Ų | 118.3 | 63% | 0.627 | 63% | 0.629 | S | S | * | * | trans | -68.8 | 88.8 | 170.9 | -117.7 | -93.5 | 0 | 0 | 0 | 108.5 | H284 S288 | H284-F286 PolarHBondContact O-N 3.41Å; F286-S288 PolarHBondContact O-N 3Å; F286-S288 VanDerWaalsContact O-N 3.14Å | ||
| 287 | T | 32 | Very low | 37.7 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 79% | 0.791 | 63% | 0.629 | S | S | * | * | trans | -85.4 | 68.4 | 167 | 55.4 | 0 | 0 | 0 | 0 | 108.4 | K285 N289 | K285-T287 VanDerWaalsContact C-N 3.31Å; K285-T287 PolarHBondContact O-N 3.14Å; T287-N289 PolarHBondContact O-N 3.44Å | ||
| 288 | S | 36.4 | Very low | 37.9 | Very low | 53 Ų | 53 | 114.9 Ų | 114.9 | 37% | 0.371 | 61% | 0.611 | S | S | . | * | trans | -92.9 | 91.5 | 170.1 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | F286 C290 | F286-S288 PolarHBondContact O-N 3Å; F286-S288 VanDerWaalsContact O-N 3.14Å; S288-C290 PolarHBondContact O-N 3Å; S288-C290 PolarHBondContact OG-SG 3.1Å | ||
| 289 | N | 34.6 | Very low | 38.7 | Very low | 164 Ų | 164 | 111.3 Ų | 111.3 | 88% | 0.877 | 60% | 0.598 | S | S | * | * | trans | -70.3 | 67.3 | 156.9 | -79.5 | -4.2 | 0 | 0 | 0 | 107.8 | T287 D291 | T287-N289 PolarHBondContact O-N 3.44Å; N289-D291 PolarHBondContact O-N 2.81Å | ||
| 290 | C | 38.8 | Very low | 40.2 | Very low | 70 Ų | 70 | 112.5 Ų | 112.5 | 47% | 0.473 | 59% | 0.586 | S | S | . | * | trans | -73.7 | 89.6 | 166.1 | -93 | 0 | 0 | 0 | 0 | 106.8 | S288 L292 | S288-C290 PolarHBondContact O-N 3Å; S288-C290 PolarHBondContact OG-SG 3.1Å; C290-L292 HydrophobicContact CB-CD1 4.13Å; C290-L292 HydrophobicContact CB-CG 4.04Å; C290-L292 PolarHBondContact O-N 3.49Å | ||
| 291 | D | 38.4 | Very low | 42.1 | Very low | 145 Ų | 145 | 108.5 Ų | 108.5 | 78% | 0.775 | 58% | 0.576 | S | S | * | * | trans | -65.4 | 81.8 | 164.1 | -114.3 | -17.1 | 0 | 0 | 0 | 107.9 | N289 S293 | N289-D291 PolarHBondContact O-N 2.81Å; D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 PolarHBondContact O-N 3.37Å | ||
| 292 | L | 45.5 | Very low | 44.7 | Very low | 33 Ų | 33 | 104.8 Ų | 104.8 | 17% | 0.173 | 56% | 0.558 | C | S | . | * | trans | -82.7 | 80.3 | 174.8 | -68.9 | 161.3 | 0 | 0 | 0 | 107.3 | C290 C294 P390 A393 C644 | C290-L292 HydrophobicContact CB-CD1 4.13Å; C290-L292 HydrophobicContact CB-CG 4.04Å; C290-L292 PolarHBondContact O-N 3.49Å; L292-C294 PolarHBondContact O-N 3.04Å; L292-P390 HydrophobicContact CD1-CB 4.38Å; L292-A393 PolarHBondContact O-N 3.43Å; L292-C644 HydrophobicContact CD1-CB 3.81Å; L292-C644 VanDerWaalsContact CD1-SG 3.51Å | ||
| 293 | S | 37.1 | Very low | 47.4 | Very low | 91 Ų | 91 | 99.9 Ų | 99.9 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | trans | -69.4 | 71.8 | 161.8 | 62.9 | 0 | 0 | 0 | 0 | 108.9 | D291 | D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 PolarHBondContact O-N 3.37Å | ||
| 294 | C | 39.5 | Very low | 50.2 | Low | 19 Ų | 19 | 94.3 Ų | 94.3 | 13% | 0.128 | 51% | 0.51 | C | S | . | . | trans | -98.3 | 104.1 | 166.9 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | L292 W296 | L292-C294 PolarHBondContact O-N 3.04Å; C294-W296 VanDerWaalsContact C-N 3.32Å; C294-W296 HydrophobicContact CB-CD2 4.41Å; C294-W296 HydrophobicContact CB-CG 4.35Å; C294-W296 HydrophobicContact CB-CZ2 4.21Å; C294-W296 PolarHBondContact O-N 2.82Å; C294-W296 PolarHBondContact SG-NE1 3.25Å | ||
| 295 | H | 38.6 | Very low | 53 | Low | 154 Ų | 154 | 86.6 Ų | 86.6 | 71% | 0.713 | 48% | 0.475 | S | S | * | . | trans | -68.7 | 91.6 | 169.7 | -65.9 | -68.9 | 0 | 0 | 0 | 107.9 | ||||
| 296 | W | 49.1 | Very low | 55.7 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | trans | -104.5 | 130 | 177.6 | -67.4 | 120.9 | 0 | 0 | 0 | 111.9 | C294 H298 P392 Q650 Q654 | C294-W296 VanDerWaalsContact C-N 3.32Å; C294-W296 HydrophobicContact CB-CD2 4.41Å; C294-W296 HydrophobicContact CB-CG 4.35Å; C294-W296 HydrophobicContact CB-CZ2 4.21Å; C294-W296 PolarHBondContact O-N 2.82Å; C294-W296 PolarHBondContact SG-NE1 3.25Å; W296-H298 VanDerWaalsContact C-N 3.28Å; W296-H298 PolarHBondContact O-N 2.84Å; W296-P392 HydrophobicContact CG-CG 4.49Å; W296-Q650 HydrophobicContact CH2-CB 3.62Å; W296-Q650 HydrophobicContact CH2-CG 4.31Å; W296-Q650 HydrophobicContact CZ2-CB 3.54Å; W296-Q650 VanDerWaalsContact CZ2-CD 3.42Å; W296-Q650 HydrophobicContact CZ2-CG 3.75Å; W296-Q654 HydrophobicContact CH2-CG 4.37Å; W296-Q654 HydrophobicContact CZ3-CG 4.14Å | ||
| 297 | G | 44.4 | Very low | 58.4 | Low | 54 Ų | 54 | 80 Ų | 80 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | trans | 46.5 | 45.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D299 K300 | G297-D299 PolarHBondContact O-N 3.17Å; G297-K300 PolarHBondContact O-N 2.84Å | ||
| 298 | H | 45.6 | Very low | 61.2 | Low | 93 Ų | 93 | 74 Ų | 74 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -4.6 | -175 | -67.2 | -67.2 | 0 | 0 | 0 | 114.6 | W296 W322 | W296-H298 VanDerWaalsContact C-N 3.28Å; W296-H298 PolarHBondContact O-N 2.84Å; H298-W322 WeakPolarHBondContact O-CH2 3.4Å; H298-W322 WeakPolarHBondContact O-CZ2 3.43Å; H298-W322 WeakPolarHBondContact O-CZ3 3.39Å |
| 299 | D | 52.5 | Low | 63.8 | Low | 124 Ų | 124 | 74.3 Ų | 74.3 | 66% | 0.663 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | 8.7 | -173.1 | -59.8 | -70.6 | 0 | 0 | 0 | 116.3 | G297 P301 W322 | G297-D299 PolarHBondContact O-N 3.17Å; D299-P301 WeakPolarHBondContact O-CD 3.28Å; D299-W322 HydrophobicContact CB-CH2 4.11Å; D299-W322 WeakPolarHBondContact OD1-CH2 3.5Å |
| 300 | K | 66.5 | Low | 66.3 | Low | 120 Ų | 120 | 69.2 Ų | 69.2 | 52% | 0.522 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -78 | 124.5 | -177.6 | -79.5 | -170.6 | 175.9 | -174.9 | 0 | 111.3 | G297 E657 | G297-K300 PolarHBondContact O-N 2.84Å; K300-E657 IonicContact NZ-OE2 3.79Å |
| 301 | P | 77.6 | Confident | 68.9 | Low | 106 Ų | 106 | 65.9 Ų | 65.9 | 69% | 0.688 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 160.4 | 175.3 | 29.3 | -35 | 0 | 0 | 0 | 111.2 | D299 | D299-P301 WeakPolarHBondContact O-CD 3.28Š|
| 302 | P | 89.3 | Confident | 71.6 | Confident | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 143.7 | 174.3 | -25.2 | 35.8 | 0 | 0 | 0 | 112.2 | I315 S316 I318 M338 E342 | P302-I315 HydrophobicContact CB-CG2 3.95Å; P302-S316 WeakPolarHBondContact CA-O 3.34Å; P302-I318 HydrophobicContact CB-CD1 3.7Å; P302-I318 HydrophobicContact CG-CD1 3.52Å; P302-M338 HydrophobicContact CG-CG 4.02Å; P302-M338 HydrophobicContact CG-SD 3.82Å; P302-E342 HydrophobicContact CB-CG 4.28Å |
| 303 | S | 88.9 | Confident | 74 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 140.2 | 176.8 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | I315 S316 | S303-I315 CarbonylContact O-C 3.55Å; S303-I315 WeakPolarHBondContact O-CA 3.48Å; S303-S316 PolarHBondContact N-O 3.45Å; S303-S316 PolarHBondContact O-N 3.14Å |
| 304 | C | 92.1 | Very high | 76.8 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.6 | 179.3 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | W314 K346 | C304-W314 CarbonylContact C-O 3.56Å; C304-W314 VanDerWaalsContact CA-O 3.26Å; C304-W314 WeakPolarHBondContact CA-O 3.17Å; C304-K346 WeakPolarHBondContact SG-CE 3.08Å |
| 305 | S | 93.9 | Very high | 79.5 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 167.5 | 165.8 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | Q313 W314 Q636 | S305-Q313 WeakPolarHBondContact O-CG 3.3Å; S305-Q313 PolarHBondContact O-NE2 2.85Å; S305-W314 PolarHBondContact N-O 3.29Å; S305-W314 PolarHBondContact OG-N 3.42Å; S305-Q636 WeakPolarHBondContact CB-O 3.28Å; S305-Q636 PolarHBondContact OG-OE1 2.96Å |
| 306 | K | 92.1 | Very high | 82.2 | Confident | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 137.4 | 164.5 | 179.5 | 177.4 | 177.9 | -177.2 | 0 | 109.7 | C308 V634 | K306-C308 PolarHBondContact O-N 3.41Å; K306-V634 HydrophobicContact CB-CG1 3.89Å; K306-V634 HydrophobicContact CG-CG1 4.39Å; K306-V634 WeakPolarHBondContact O-CG1 3.44Å |
| 307 | R | 92.6 | Very high | 84.1 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 124.2 | 170.5 | -171.1 | 175.3 | -175.7 | 177.5 | -5.4 | 108.8 | Y312 Q313 W348 D405 T407 | R307-Y312 CarbonylContact C-O 3.54Å; R307-Y312 VanDerWaalsContact CA-O 3.26Å; R307-Y312 WeakPolarHBondContact CA-O 3.43Å; R307-Q313 HydrophobicContact CB-CB 4.28Å; R307-Q313 HydrophobicContact CG-CB 4.41Å; R307-W348 HydrophobicContact CG-CZ2 4.38Å; R307-D405 PolarHBondContact NH2-O 2.9Å; R307-D405 IonicContact NH2-OD2 2.83Å; R307-D405 PolarHBondContact NH2-OD2 2.87Å; R307-T407 HydrophobicContact CG-CG2 4.38Å; R307-T407 VanDerWaalsContact NE-CG2 3.32Å |
| 308 | C | 91.9 | Very high | 86.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 167.5 | 178.9 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | K306 R310 G311 Y312 V634 L693 | K306-C308 PolarHBondContact O-N 3.41Å; C308-R310 VanDerWaalsContact C-N 3.25Å; C308-R310 PolarHBondContact O-N 3.4Å; C308-G311 WeakPolarHBondContact O-CA 3.08Å; C308-G311 PolarHBondContact O-N 3.32Å; C308-Y312 PolarHBondContact N-O 3.24Å; C308-Y312 VanDerWaalsContact SG-CB 3.54Å; C308-Y312 PolarHBondContact SG-N 2.99Å; C308-V634 HydrophobicContact CB-CB 3.87Å; C308-V634 HydrophobicContact CB-CG2 3.99Å; C308-L693 VanDerWaalsContact CB-O 3.23Å; C308-L693 WeakPolarHBondContact CB-O 3.39Å; C308-L693 WeakPolarHBondContact CB-OXT 3.28Å; C308-L693 PolarHBondContact SG-O 3.43Å |
| 309 | S | 89.8 | Confident | 88.6 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 42% | 0.42 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.1 | -179 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | G311 T407 L693 | S309-G311 PolarHBondContact O-N 3.47Å; S309-T407 PolarHBondContact O-OG1 2.96Å; S309-L693 WeakPolarHBondContact CA-OXT 3.34Å; S309-L693 VanDerWaalsContact CB-OXT 3.28Å; S309-L693 WeakPolarHBondContact CB-OXT 3.46Å; S309-L693 PolarHBondContact N-O 2.96Å; S309-L693 PolarHBondContact N-OXT 3.18Å; S309-L693 PolarHBondContact OG-O 2.89Å; S309-L693 PolarHBondContact OG-OXT 2.71Å |
| 310 | R | 89.2 | Confident | 90.4 | Very high | 57 Ų | 57 | 32.5 Ų | 32.5 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.5 | 169.7 | -64.9 | -171.5 | 68.1 | 147.4 | 9.2 | 113.8 | C308 Y312 H404 S591 L693 | C308-R310 VanDerWaalsContact C-N 3.25Å; C308-R310 PolarHBondContact O-N 3.4Å; R310-Y312 HydrophobicContact CB-CD2 4.1Å; R310-Y312 HydrophobicContact CB-CE2 4.11Å; R310-H404 PolarHBondContact O-NE2 3.39Å; R310-S591 VanDerWaalsContact NH1-CB 3.26Å; R310-S591 PolarHBondContact NH1-OG 2.89Å; R310-L693 WeakPolarHBondContact CB-O 3.47Å; R310-L693 HydrophobicContact CG-CB 4.2Å; R310-L693 VanDerWaalsContact CG-O 3.24Å; R310-L693 WeakPolarHBondContact CG-O 3.05Å; R310-L693 PolarHBondContact N-O 3.45Å |
| 311 | G | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 92.6 | 7.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | C308 S309 D405 | C308-G311 WeakPolarHBondContact O-CA 3.08Å; C308-G311 PolarHBondContact O-N 3.32Å; S309-G311 PolarHBondContact O-N 3.47Å; G311-D405 WeakPolarHBondContact CA-O 3.5Å; G311-D405 PolarHBondContact O-N 3.08Å |
| 312 | Y | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 144.9 | 172.7 | -62.4 | -83.8 | 0 | 0 | 0 | 112.5 | R307 C308 R310 L402 L403 H404 V443 L446 F448 W690 S692 | R307-Y312 CarbonylContact C-O 3.54Å; R307-Y312 VanDerWaalsContact CA-O 3.26Å; R307-Y312 WeakPolarHBondContact CA-O 3.43Å; C308-Y312 PolarHBondContact N-O 3.24Å; C308-Y312 VanDerWaalsContact SG-CB 3.54Å; C308-Y312 PolarHBondContact SG-N 2.99Å; R310-Y312 HydrophobicContact CB-CD2 4.1Å; R310-Y312 HydrophobicContact CB-CE2 4.11Å; Y312-L402 HydrophobicContact CD1-CD1 3.95Å; Y312-L402 HydrophobicContact CD1-CD2 4.15Å; Y312-L402 HydrophobicContact CD1-CG 4.18Å; Y312-L402 HydrophobicContact CE1-CD2 4.44Å; Y312-L402 HydrophobicContact CG-CD1 4.49Å; Y312-L403 WeakPolarHBondContact CA-O 3.44Å; Y312-H404 HydrophobicContact CD1-CB 3.87Å; Y312-H404 AromaticContact CD1-CD2 3.53Å; Y312-H404 AromaticContact CD2-CD2 3.85Å; Y312-H404 HydrophobicContact CE1-CB 3.91Å; Y312-H404 AromaticContact CE1-CD2 3.34Å; Y312-H404 WeakPolarHBondContact CE1-CD2 3.48Å; Y312-H404 AromaticContact CE1-CG 3.83Å; Y312-H404 AromaticContact CE2-CD2 3.65Å; Y312-H404 AromaticContact CG-CD2 3.79Å; Y312-H404 AromaticContact CZ-CD2 3.39Å; Y312-H404 AromaticContact CZ-NE2 3.97Å; Y312-V443 HydrophobicContact CE1-CB 4.45Å; Y312-V443 HydrophobicContact CE1-CG1 4.35Å; Y312-V443 HydrophobicContact CE1-CG2 4.49Å; Y312-V443 WeakPolarHBondContact OH-CB 3.23Å; Y312-V443 WeakPolarHBondContact OH-CG1 3.44Å; Y312-L446 HydrophobicContact CE2-CD1 3.92Å; Y312-L446 VanDerWaalsContact OH-CD1 3.24Å; Y312-L446 WeakPolarHBondContact OH-CD1 3.26Å; Y312-F448 AromaticContact CE1-CE2 3.93Å; Y312-F448 HydrophobicContact CE1-CE2 3.93Å; Y312-F448 AromaticContact CE1-CZ 3.84Å; Y312-F448 HydrophobicContact CE1-CZ 3.84Å; Y312-W690 AromaticContact CD1-CH2 3.89Å; Y312-W690 HydrophobicContact CD1-CH2 3.89Å; Y312-W690 HydrophobicContact CD1-CZ3 4.04Å; Y312-W690 AromaticContact CD2-CH2 3.72Å; Y312-W690 HydrophobicContact CD2-CH2 3.72Å; Y312-W690 HydrophobicContact CD2-CZ3 4.36Å; Y312-W690 HydrophobicContact CE1-CH2 4.01Å; Y312-W690 AromaticContact CE2-CH2 3.88Å; Y312-W690 HydrophobicContact CE2-CH2 3.88Å; Y312-W690 AromaticContact CG-CH2 3.72Å; Y312-W690 HydrophobicContact CG-CH2 3.72Å; Y312-W690 AromaticContact CG-CZ3 3.94Å; Y312-W690 HydrophobicContact CG-CZ3 3.94Å; Y312-S692 WeakPolarHBondContact CD2-OG 3.49Å |
| 313 | Q | 95.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 30.3 Ų | 30.3 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 142.6 | 169.2 | -172.6 | 168.7 | 25 | 0 | 0 | 110 | S305 R307 W348 L403 | S305-Q313 WeakPolarHBondContact O-CG 3.3Å; S305-Q313 PolarHBondContact O-NE2 2.85Å; R307-Q313 HydrophobicContact CB-CB 4.28Å; R307-Q313 HydrophobicContact CG-CB 4.41Å; Q313-W348 HydrophobicContact CB-CZ2 3.99Å; Q313-L403 PolarHBondContact N-O 3.23Å; Q313-L403 VanDerWaalsContact N-O 3.08Å; Q313-L403 WeakPolarHBondContact O-CB 3.32Å; Q313-L403 PolarHBondContact O-N 2.95Å |
| 314 | W | 96.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.6 | 178 | -156.8 | -74.9 | 0 | 0 | 0 | 111.4 | C304 S305 L355 H357 D400 C401 L402 Q636 C637 S670 | C304-W314 CarbonylContact C-O 3.56Å; C304-W314 VanDerWaalsContact CA-O 3.26Å; C304-W314 WeakPolarHBondContact CA-O 3.17Å; S305-W314 PolarHBondContact N-O 3.29Å; S305-W314 PolarHBondContact OG-N 3.42Å; W314-L355 HydrophobicContact CH2-CD2 3.94Å; W314-H357 AromaticContact CH2-CD2 3.96Å; W314-H357 AromaticContact CZ2-CD2 3.86Å; W314-D400 WeakPolarHBondContact CZ2-OD1 3.33Å; W314-D400 PolarHBondContact NE1-OD1 3.44Å; W314-C401 WeakPolarHBondContact CA-O 3.49Å; W314-L402 HydrophobicContact CD2-CB 4.35Å; W314-L402 HydrophobicContact CD2-CD1 4.47Å; W314-L402 HydrophobicContact CE3-CB 3.79Å; W314-L402 HydrophobicContact CE3-CD1 3.59Å; W314-L402 HydrophobicContact CE3-CG 4.15Å; W314-L402 HydrophobicContact CH2-CB 3.99Å; W314-L402 HydrophobicContact CZ3-CB 3.61Å; W314-L402 HydrophobicContact CZ3-CD1 3.97Å; W314-L402 HydrophobicContact CZ3-CD2 4.08Å; W314-L402 HydrophobicContact CZ3-CG 4.09Å; W314-Q636 HydrophobicContact CB-CB 4.31Å; W314-Q636 WeakPolarHBondContact CB-O 3.5Å; W314-Q636 HydrophobicContact CE3-CB 4.26Å; W314-C637 HydrophobicContact CB-CB 4.19Å; W314-C637 HydrophobicContact CD2-CB 3.33Å; W314-C637 HydrophobicContact CE3-CB 3.75Å; W314-C637 HydrophobicContact CG-CB 3.46Å; W314-C637 VanDerWaalsContact CG-CB 3.46Å; W314-C637 HydrophobicContact CZ2-CB 4.39Å; W314-C637 HydrophobicContact CZ3-CB 4.42Å; W314-S670 WeakPolarHBondContact CB-OG 3.37Å |
| 315 | I | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.5 | 170.3 | -52.5 | -173.5 | 0 | 0 | 0 | 108.7 | P302 S303 I318 E342 L343 D400 C401 L403 | P302-I315 HydrophobicContact CB-CG2 3.95Å; S303-I315 CarbonylContact O-C 3.55Å; S303-I315 WeakPolarHBondContact O-CA 3.48Å; I315-I318 HydrophobicContact CG2-CD1 3.96Å; I315-I318 HydrophobicContact CG2-CG1 4.23Å; I315-E342 HydrophobicContact CD1-CG 4Å; I315-E342 HydrophobicContact CG2-CG 4.25Å; I315-L343 HydrophobicContact CD1-CD2 3.94Å; I315-D400 CarbonylContact O-C 3.52Å; I315-D400 VanDerWaalsContact O-CA 3.27Å; I315-D400 WeakPolarHBondContact O-CA 3.4Å; I315-D400 WeakPolarHBondContact O-CB 3.27Å; I315-C401 PolarHBondContact N-O 2.72Å; I315-C401 PolarHBondContact O-N 3.04Å; I315-L403 HydrophobicContact CD1-CD1 3.63Å; I315-L403 HydrophobicContact CG1-CD1 3.93Å |
| 316 | S | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 160.6 | 179 | 71 | 0 | 0 | 0 | 0 | 112.6 | P302 S303 V671 | P302-S316 WeakPolarHBondContact CA-O 3.34Å; S303-S316 PolarHBondContact N-O 3.45Å; S303-S316 PolarHBondContact O-N 3.14Å; S316-V671 WeakPolarHBondContact CB-O 3.48Å; S316-V671 PolarHBondContact OG-N 2.81Å; S316-V671 PolarHBondContact OG-O 3.22Å |
| 317 | G | 89.3 | Confident | 91.3 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | 13.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | N319 | G317-N319 PolarHBondContact O-N 3.4Å; G317-N319 PolarHBondContact O-ND2 3.37Å |
| 318 | I | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.6 | 175.1 | -52.7 | -66.7 | 0 | 0 | 0 | 109.2 | P302 I315 A335 M338 L339 M399 | P302-I318 HydrophobicContact CB-CD1 3.7Å; P302-I318 HydrophobicContact CG-CD1 3.52Å; I315-I318 HydrophobicContact CG2-CD1 3.96Å; I315-I318 HydrophobicContact CG2-CG1 4.23Å; I318-A335 HydrophobicContact CG2-CB 4.06Å; I318-A335 WeakPolarHBondContact CG2-O 3.48Å; I318-M338 HydrophobicContact CD1-CG 4.28Å; I318-M338 HydrophobicContact CD1-SD 4.25Å; I318-M338 HydrophobicContact CG2-SD 4.31Å; I318-L339 HydrophobicContact CD1-CB 4.36Å; I318-L339 HydrophobicContact CD1-CD1 4.33Å; I318-L339 HydrophobicContact CG1-CD1 4.37Å; I318-L339 HydrophobicContact CG2-CB 4.23Å; I318-M399 HydrophobicContact CB-CB 4.13Å; I318-M399 HydrophobicContact CB-CE 4.11Å; I318-M399 WeakPolarHBondContact CB-O 3.21Å; I318-M399 HydrophobicContact CG2-CB 4.45Å; I318-M399 HydrophobicContact CG2-CE 3.53Å; I318-M399 PolarHBondContact N-O 2.93Å; I318-M399 PolarHBondContact O-N 3.15Å |
| 319 | N | 91.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 169.2 | -179.4 | 67.9 | 77.2 | 0 | 0 | 0 | 111.3 | G317 L321 A335 M338 Q395 | G317-N319 PolarHBondContact O-N 3.4Å; G317-N319 PolarHBondContact O-ND2 3.37Å; N319-L321 WeakPolarHBondContact OD1-CB 3.09Å; N319-L321 PolarHBondContact OD1-N 3.4Å; N319-A335 WeakPolarHBondContact O-CA 3.43Å; N319-M338 WeakPolarHBondContact O-CE 3.41Å; N319-Q395 HydrophobicContact CB-CG 4.48Å |
| 320 | G | 88.4 | Confident | 92.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -108.5 | 16 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | W322 S323 Q331 | G320-W322 PolarHBondContact O-N 3.43Å; G320-W322 VanDerWaalsContact O-N 3.08Å; G320-S323 WeakPolarHBondContact O-CB 3.2Å; G320-S323 PolarHBondContact O-N 3.25Å; G320-Q331 WeakPolarHBondContact CA-O 3.25Å; G320-Q331 WeakPolarHBondContact O-CG 3.29Å | ||
| 321 | L | 86.6 | Confident | 92.4 | Very high | 42 Ų | 42 | 40 Ų | 40 | 22% | 0.22 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.1 | -169.8 | -81.6 | 167.2 | 0 | 0 | 0 | 114.3 | N319 S323 Q395 | N319-L321 WeakPolarHBondContact OD1-CB 3.09Å; N319-L321 PolarHBondContact OD1-N 3.4Å; L321-S323 PolarHBondContact O-N 3.23Å; L321-Q395 HydrophobicContact CD1-CB 4.26Å; L321-Q395 HydrophobicContact CD1-CG 4.35Å; L321-Q395 HydrophobicContact CD2-CB 3.84Å; L321-Q395 HydrophobicContact CD2-CG 4.46Å; L321-Q395 HydrophobicContact CG-CB 4.1Å; L321-Q395 HydrophobicContact CG-CG 4.2Å |
| 322 | W | 83.1 | Confident | 92.6 | Very high | 136 Ų | 136 | 40.3 Ų | 40.3 | 52% | 0.515 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -4.5 | -178.9 | -46.2 | 101.6 | 0 | 0 | 0 | 114.4 | H298 D299 G320 M338 | H298-W322 WeakPolarHBondContact O-CH2 3.4Å; H298-W322 WeakPolarHBondContact O-CZ2 3.43Å; H298-W322 WeakPolarHBondContact O-CZ3 3.39Å; D299-W322 HydrophobicContact CB-CH2 4.11Å; D299-W322 WeakPolarHBondContact OD1-CH2 3.5Å; G320-W322 PolarHBondContact O-N 3.43Å; G320-W322 VanDerWaalsContact O-N 3.08Å; W322-M338 VanDerWaalsContact CD1-CE 3.41Å |
| 323 | S | 88.2 | Confident | 92.7 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | trans | -65.6 | 137.1 | -177.3 | -162.7 | 0 | 0 | 0 | 0 | 111.3 | G320 L321 D325 G330 | G320-S323 WeakPolarHBondContact O-CB 3.2Å; G320-S323 PolarHBondContact O-N 3.25Å; L321-S323 PolarHBondContact O-N 3.23Å; S323-D325 WeakPolarHBondContact CB-O 3.44Å; S323-D325 PolarHBondContact OG-N 2.57Å; S323-D325 PolarHBondContact OG-O 3.07Å; S323-D325 VanDerWaalsContact OG-O 3.13Å; S323-G330 WeakPolarHBondContact CB-O 3.35Å; S323-G330 PolarHBondContact OG-O 3.1Å | ||
| 324 | Q | 87.4 | Confident | 92.7 | Very high | 200 Ų | 200 | 44.8 Ų | 44.8 | 94% | 0.935 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -72.2 | -25.6 | 171.1 | -64.3 | -177.4 | 1.5 | 0 | 0 | 111.5 | ||
| 325 | D | 90.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -91.5 | 109.3 | 169.5 | 174.8 | 12.9 | 0 | 0 | 0 | 108.9 | S323 G327 G330 | S323-D325 WeakPolarHBondContact CB-O 3.44Å; S323-D325 PolarHBondContact OG-N 2.57Å; S323-D325 PolarHBondContact OG-O 3.07Å; S323-D325 VanDerWaalsContact OG-O 3.13Å; D325-G327 PolarHBondContact O-N 3Å; D325-G327 PolarHBondContact OD1-N 2.95Å; D325-G330 WeakPolarHBondContact OD2-CA 3.34Å; D325-G330 PolarHBondContact OD2-N 2.93Å |
| 326 | L | 88.6 | Confident | 92.7 | Very high | 132 Ų | 132 | 44.6 Ų | 44.6 | 69% | 0.691 | 24% | 0.237 | S | C | * | . | trans | -72.3 | -10.5 | -177.1 | -61.5 | 177.9 | 0 | 0 | 0 | 113 | L396 | L326-L396 WeakPolarHBondContact O-CD1 3.31Š| ||
| 327 | G | 95.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70.1 | 164.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D325 E329 G330 Q331 | D325-G327 PolarHBondContact O-N 3Å; D325-G327 PolarHBondContact OD1-N 2.95Å; G327-E329 PolarHBondContact O-N 3.05Å; G327-G330 PolarHBondContact O-N 3.16Å; G327-Q331 PolarHBondContact O-N 3.24Å |
| 328 | I | 96.7 | Very high | 93 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | -179.1 | -171.6 | 73.3 | 0 | 0 | 0 | 111.9 | Q331 T332 D365 L369 L396 L397 | I328-Q331 PolarHBondContact O-N 3.45Å; I328-T332 VanDerWaalsContact O-CB 3.23Å; I328-T332 WeakPolarHBondContact O-CB 3.12Å; I328-T332 PolarHBondContact O-N 3.43Å; I328-T332 PolarHBondContact O-OG1 2.77Å; I328-D365 HydrophobicContact CB-CB 4Å; I328-D365 HydrophobicContact CD1-CB 4.26Å; I328-D365 HydrophobicContact CG1-CB 3.82Å; I328-D365 HydrophobicContact CG2-CB 3.94Å; I328-L369 HydrophobicContact CD1-CD1 4.17Å; I328-L369 HydrophobicContact CG1-CB 4.06Å; I328-L369 HydrophobicContact CG1-CD1 4.25Å; I328-L396 HydrophobicContact CB-CD1 4.3Å; I328-L396 HydrophobicContact CD1-CB 3.69Å; I328-L397 HydrophobicContact CD1-CB 4.28Å; I328-L397 HydrophobicContact CD1-CD2 3.93Å |
| 329 | E | 97.2 | Very high | 93 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -47.4 | -180 | -63.5 | -173.9 | 168.9 | 0 | 0 | 110.9 | G327 T332 L333 V372 | G327-E329 PolarHBondContact O-N 3.05Å; E329-T332 PolarHBondContact O-N 3.29Å; E329-L333 WeakPolarHBondContact O-CB 3.45Å; E329-L333 PolarHBondContact O-N 3.36Å; E329-V372 HydrophobicContact CB-CG2 3.95Å; E329-V372 HydrophobicContact CG-CG2 4.14Å |
| 330 | G | 96.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S323 D325 G327 L333 A334 | S323-G330 WeakPolarHBondContact CB-O 3.35Å; S323-G330 PolarHBondContact OG-O 3.1Å; D325-G330 WeakPolarHBondContact OD2-CA 3.34Å; D325-G330 PolarHBondContact OD2-N 2.93Å; G327-G330 PolarHBondContact O-N 3.16Å; G330-L333 PolarHBondContact O-N 3.36Å; G330-A334 PolarHBondContact O-N 3.13Å |
| 331 | Q | 96.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 176.6 | -67.7 | -156.6 | 18.4 | 0 | 0 | 112.2 | G320 G327 I328 L333 A334 A335 G394 L396 L397 | G320-Q331 WeakPolarHBondContact CA-O 3.25Å; G320-Q331 WeakPolarHBondContact O-CG 3.29Å; G327-Q331 PolarHBondContact O-N 3.24Å; I328-Q331 PolarHBondContact O-N 3.45Å; Q331-L333 VanDerWaalsContact C-N 3.34Å; Q331-A334 PolarHBondContact O-N 3.39Å; Q331-A335 VanDerWaalsContact O-CB 3.28Å; Q331-A335 WeakPolarHBondContact O-CB 3.27Å; Q331-A335 PolarHBondContact O-N 2.89Å; Q331-G394 PolarHBondContact NE2-O 3.44Å; Q331-L396 HydrophobicContact CG-CD1 4.42Å; Q331-L397 HydrophobicContact CB-CD2 4.02Å |
| 332 | T | 97.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | I328 E329 A335 L336 L369 V372 L397 | I328-T332 VanDerWaalsContact O-CB 3.23Å; I328-T332 WeakPolarHBondContact O-CB 3.12Å; I328-T332 PolarHBondContact O-N 3.43Å; I328-T332 PolarHBondContact O-OG1 2.77Å; E329-T332 PolarHBondContact O-N 3.29Å; T332-A335 PolarHBondContact O-N 2.88Å; T332-L336 HydrophobicContact CG2-CD1 3.86Å; T332-L336 WeakPolarHBondContact O-CB 3.4Å; T332-L336 WeakPolarHBondContact O-CG 3.44Å; T332-L336 PolarHBondContact O-N 2.93Å; T332-L369 HydrophobicContact CG2-CG 4.06Å; T332-V372 HydrophobicContact CG2-CB 3.84Å; T332-V372 HydrophobicContact CG2-CG1 3.81Å; T332-L397 VanDerWaalsContact OG1-CD2 3.32Å; T332-L397 WeakPolarHBondContact OG1-CD2 3.22Å |
| 333 | L | 97 | Very high | 94.4 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 48% | 0.482 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176.3 | -172.8 | 72.5 | 0 | 0 | 0 | 111.5 | E329 G330 Q331 A335 L336 A337 V372 Y376 | E329-L333 WeakPolarHBondContact O-CB 3.45Å; E329-L333 PolarHBondContact O-N 3.36Å; G330-L333 PolarHBondContact O-N 3.36Å; Q331-L333 VanDerWaalsContact C-N 3.34Å; L333-A335 PolarHBondContact O-N 3.04Å; L333-L336 PolarHBondContact O-N 2.9Å; L333-A337 WeakPolarHBondContact O-CB 3.46Å; L333-A337 PolarHBondContact O-N 3.37Å; L333-V372 HydrophobicContact CB-CG1 4.36Å; L333-V372 HydrophobicContact CD1-CG1 4.37Å; L333-Y376 HydrophobicContact CD1-CE2 4.24Å; L333-Y376 VanDerWaalsContact CD1-OH 3.23Å; L333-Y376 WeakPolarHBondContact CD1-OH 3.47Å |
| 334 | A | 95.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G330 Q331 A337 M338 | G330-A334 PolarHBondContact O-N 3.13Å; Q331-A334 PolarHBondContact O-N 3.39Å; A334-A337 PolarHBondContact O-N 3.1Å; A334-M338 WeakPolarHBondContact O-CB 3.33Å; A334-M338 PolarHBondContact O-N 3.26Å |
| 335 | A | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I318 N319 Q331 T332 L333 M338 L339 L397 | I318-A335 HydrophobicContact CG2-CB 4.06Å; I318-A335 WeakPolarHBondContact CG2-O 3.48Å; N319-A335 WeakPolarHBondContact O-CA 3.43Å; Q331-A335 VanDerWaalsContact O-CB 3.28Å; Q331-A335 WeakPolarHBondContact O-CB 3.27Å; Q331-A335 PolarHBondContact O-N 2.89Å; T332-A335 PolarHBondContact O-N 2.88Å; L333-A335 PolarHBondContact O-N 3.04Å; A335-M338 PolarHBondContact O-N 2.98Å; A335-L339 PolarHBondContact O-N 3.44Å; A335-L397 HydrophobicContact CB-CD1 3.76Å |
| 336 | L | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.2 | -34.3 | 177.5 | -71.6 | 165 | 0 | 0 | 0 | 112.2 | T332 L333 L339 Q340 M350 V372 Y376 F377 M399 | T332-L336 HydrophobicContact CG2-CD1 3.86Å; T332-L336 WeakPolarHBondContact O-CB 3.4Å; T332-L336 WeakPolarHBondContact O-CG 3.44Å; T332-L336 PolarHBondContact O-N 2.93Å; L333-L336 PolarHBondContact O-N 2.9Å; L336-L339 PolarHBondContact O-N 3.23Å; L336-Q340 WeakPolarHBondContact O-CG 3.29Å; L336-Q340 PolarHBondContact O-N 3.32Å; L336-M350 HydrophobicContact CD2-CE 4.4Å; L336-V372 HydrophobicContact CD1-CG1 4.21Å; L336-Y376 HydrophobicContact CB-CD1 4.05Å; L336-Y376 HydrophobicContact CB-CD2 4.28Å; L336-Y376 HydrophobicContact CB-CE1 3.82Å; L336-Y376 HydrophobicContact CB-CE2 4.07Å; L336-Y376 HydrophobicContact CB-CG 4.27Å; L336-Y376 HydrophobicContact CD1-CD2 3.46Å; L336-Y376 VanDerWaalsContact CD1-CD2 3.46Å; L336-Y376 HydrophobicContact CD1-CE2 3.71Å; L336-Y376 HydrophobicContact CD1-CG 3.9Å; L336-Y376 HydrophobicContact CD2-CG 4.36Å; L336-Y376 HydrophobicContact CG-CD2 4.35Å; L336-Y376 HydrophobicContact CG-CE2 4.5Å; L336-Y376 HydrophobicContact CG-CG 4.41Å; L336-F377 HydrophobicContact CD2-CE2 4.12Å; L336-M399 HydrophobicContact CD2-CE 4.12Å |
| 337 | A | 94.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | L333 A334 L339 Q340 D341 | L333-A337 WeakPolarHBondContact O-CB 3.46Å; L333-A337 PolarHBondContact O-N 3.37Å; A334-A337 PolarHBondContact O-N 3.1Å; A337-L339 VanDerWaalsContact C-N 3.3Å; A337-L339 PolarHBondContact O-N 2.89Å; A337-Q340 PolarHBondContact O-N 3.39Å; A337-Q340 VanDerWaalsContact O-N 3.13Å; A337-D341 PolarHBondContact O-N 2.67Å |
| 338 | M | 94.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 18% | 0.177 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 174 | 179.8 | -171.1 | -65.5 | 0 | 0 | 111.8 | P302 I318 N319 W322 A334 A335 D341 E342 | P302-M338 HydrophobicContact CG-CG 4.02Å; P302-M338 HydrophobicContact CG-SD 3.82Å; I318-M338 HydrophobicContact CD1-CG 4.28Å; I318-M338 HydrophobicContact CD1-SD 4.25Å; I318-M338 HydrophobicContact CG2-SD 4.31Å; N319-M338 WeakPolarHBondContact O-CE 3.41Å; W322-M338 VanDerWaalsContact CD1-CE 3.41Å; A334-M338 WeakPolarHBondContact O-CB 3.33Å; A334-M338 PolarHBondContact O-N 3.26Å; A335-M338 PolarHBondContact O-N 2.98Å; M338-D341 PolarHBondContact O-N 2.95Å; M338-E342 WeakPolarHBondContact O-CB 3.36Å; M338-E342 PolarHBondContact O-N 2.93Å |
| 339 | L | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.4 | 176.2 | 60.1 | 0 | 0 | 0 | 111.5 | I318 A335 L336 A337 D341 E342 L343 M350 I353 M399 | I318-L339 HydrophobicContact CD1-CB 4.36Å; I318-L339 HydrophobicContact CD1-CD1 4.33Å; I318-L339 HydrophobicContact CG1-CD1 4.37Å; I318-L339 HydrophobicContact CG2-CB 4.23Å; A335-L339 PolarHBondContact O-N 3.44Å; L336-L339 PolarHBondContact O-N 3.23Å; A337-L339 VanDerWaalsContact C-N 3.3Å; A337-L339 PolarHBondContact O-N 2.89Å; L339-D341 VanDerWaalsContact C-N 3.31Å; L339-D341 PolarHBondContact O-N 3.43Å; L339-E342 PolarHBondContact O-N 3.49Å; L339-L343 HydrophobicContact CD1-CD1 4.04Å; L339-L343 HydrophobicContact CD1-CD2 4.27Å; L339-L343 HydrophobicContact CD1-CG 3.95Å; L339-L343 HydrophobicContact CG-CD1 3.92Å; L339-L343 HydrophobicContact CG-CG 4.29Å; L339-L343 WeakPolarHBondContact O-CG 3.43Å; L339-L343 PolarHBondContact O-N 3.41Å; L339-M350 HydrophobicContact CD2-CE 4.37Å; L339-M350 HydrophobicContact CD2-SD 4.34Å; L339-M350 HydrophobicContact CG-SD 4.44Å; L339-I353 HydrophobicContact CD2-CD1 3.87Å; L339-M399 HydrophobicContact CB-CE 4.16Å; L339-M399 HydrophobicContact CD2-CE 3.62Å; L339-M399 HydrophobicContact CD2-SD 4.42Å; L339-M399 HydrophobicContact CG-CE 4.47Å |
| 340 | Q | 95.7 | Very high | 94.5 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 178.3 | -78.1 | -177.9 | -36.6 | 0 | 0 | 112.4 | L336 A337 L343 Q344 M350 Y376 | L336-Q340 WeakPolarHBondContact O-CG 3.29Å; L336-Q340 PolarHBondContact O-N 3.32Å; A337-Q340 PolarHBondContact O-N 3.39Å; A337-Q340 VanDerWaalsContact O-N 3.13Å; Q340-L343 PolarHBondContact O-N 2.98Å; Q340-Q344 VanDerWaalsContact O-CG 3.29Å; Q340-Q344 WeakPolarHBondContact O-CG 3.26Å; Q340-Q344 PolarHBondContact O-N 3.33Å; Q340-M350 HydrophobicContact CG-CG 4.15Å; Q340-M350 HydrophobicContact CG-SD 3.76Å; Q340-Y376 HydrophobicContact CG-CE1 4.45Å |
| 341 | D | 93.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 177.2 | -70.8 | -12.8 | 0 | 0 | 0 | 111 | A337 M338 L339 L343 Q344 N345 | A337-D341 PolarHBondContact O-N 2.67Å; M338-D341 PolarHBondContact O-N 2.95Å; L339-D341 VanDerWaalsContact C-N 3.31Å; L339-D341 PolarHBondContact O-N 3.43Å; D341-L343 VanDerWaalsContact C-N 3.34Å; D341-L343 PolarHBondContact O-N 2.92Å; D341-Q344 PolarHBondContact O-N 3.48Å; D341-N345 WeakPolarHBondContact O-CB 3.3Å; D341-N345 PolarHBondContact O-N 3.37Å; D341-N345 PolarHBondContact O-ND2 3.11Å |
| 342 | E | 94.3 | Very high | 94.2 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 178.3 | -169.1 | 61.1 | -157.6 | 0 | 0 | 112.2 | P302 I315 M338 L339 K346 | P302-E342 HydrophobicContact CB-CG 4.28Å; I315-E342 HydrophobicContact CD1-CG 4Å; I315-E342 HydrophobicContact CG2-CG 4.25Å; M338-E342 WeakPolarHBondContact O-CB 3.36Å; M338-E342 PolarHBondContact O-N 2.93Å; L339-E342 PolarHBondContact O-N 3.49Å; E342-K346 PolarHBondContact O-N 3.01Å; E342-K346 WeakPolarHBondContact OE1-CE 3.06Å; E342-K346 IonicContact OE1-NZ 3.68Å |
| 343 | L | 94.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 175.5 | -66.4 | 171.4 | 0 | 0 | 0 | 111.2 | I315 L339 Q340 D341 N345 K346 A347 W348 M350 I353 L403 | I315-L343 HydrophobicContact CD1-CD2 3.94Å; L339-L343 HydrophobicContact CD1-CD1 4.04Å; L339-L343 HydrophobicContact CD1-CD2 4.27Å; L339-L343 HydrophobicContact CD1-CG 3.95Å; L339-L343 HydrophobicContact CG-CD1 3.92Å; L339-L343 HydrophobicContact CG-CG 4.29Å; L339-L343 WeakPolarHBondContact O-CG 3.43Å; L339-L343 PolarHBondContact O-N 3.41Å; Q340-L343 PolarHBondContact O-N 2.98Å; D341-L343 VanDerWaalsContact C-N 3.34Å; D341-L343 PolarHBondContact O-N 2.92Å; L343-N345 PolarHBondContact O-N 2.99Å; L343-K346 CarbonylContact O-C 3.53Å; L343-K346 PolarHBondContact O-N 3.33Å; L343-A347 PolarHBondContact O-N 3.49Å; L343-W348 CarbonylContact C-O 3.57Å; L343-W348 HydrophobicContact CB-CB 3.88Å; L343-W348 HydrophobicContact CD2-CB 3.5Å; L343-W348 VanDerWaalsContact CD2-CB 3.5Å; L343-W348 HydrophobicContact CD2-CG 4.22Å; L343-W348 HydrophobicContact CG-CB 4.26Å; L343-W348 PolarHBondContact O-N 3.3Å; L343-M350 HydrophobicContact CD1-CG 4.38Å; L343-M350 HydrophobicContact CD1-SD 3.52Å; L343-M350 VanDerWaalsContact CD1-SD 3.52Å; L343-I353 HydrophobicContact CD1-CD1 4.12Å; L343-L403 HydrophobicContact CD2-CD1 3.58Å; L343-L403 HydrophobicContact CD2-CD2 3.7Å; L343-L403 HydrophobicContact CD2-CG 4.3Å |
| 344 | Q | 93.2 | Very high | 94.2 | Very high | 136 Ų | 136 | 51.1 Ų | 51.1 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 179.7 | -74.4 | 176 | 27.2 | 0 | 0 | 112 | Q340 D341 K346 A347 | Q340-Q344 VanDerWaalsContact O-CG 3.29Å; Q340-Q344 WeakPolarHBondContact O-CG 3.26Å; Q340-Q344 PolarHBondContact O-N 3.33Å; D341-Q344 PolarHBondContact O-N 3.48Å; Q344-K346 PolarHBondContact O-N 2.92Å; Q344-K346 VanDerWaalsContact O-N 3.09Å; Q344-A347 PolarHBondContact O-N 2.85Å; Q344-A347 VanDerWaalsContact O-N 3.13Å |
| 345 | N | 91.7 | Very high | 94.4 | Very high | 130 Ų | 130 | 50 Ų | 50 | 70% | 0.695 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.7 | -22 | 177.2 | -72.1 | -27.3 | 0 | 0 | 0 | 113.1 | D341 L343 | D341-N345 WeakPolarHBondContact O-CB 3.3Å; D341-N345 PolarHBondContact O-N 3.37Å; D341-N345 PolarHBondContact O-ND2 3.11Å; L343-N345 PolarHBondContact O-N 2.99Å |
| 346 | K | 88.3 | Confident | 94.5 | Very high | 86 Ų | 86 | 50 Ų | 50 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 13.8 | -178.3 | -67.3 | 178.8 | -173.6 | -74.5 | 0 | 113.6 | C304 E342 L343 Q344 W348 | C304-K346 WeakPolarHBondContact SG-CE 3.08Å; E342-K346 PolarHBondContact O-N 3.01Å; E342-K346 WeakPolarHBondContact OE1-CE 3.06Å; E342-K346 IonicContact OE1-NZ 3.68Å; L343-K346 CarbonylContact O-C 3.53Å; L343-K346 PolarHBondContact O-N 3.33Å; Q344-K346 PolarHBondContact O-N 2.92Å; Q344-K346 VanDerWaalsContact O-N 3.09Å; K346-W348 PolarHBondContact O-N 2.88Å |
| 347 | A | 90.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 76% | 0.76 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 25.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L343 Q344 | L343-A347 PolarHBondContact O-N 3.49Å; Q344-A347 PolarHBondContact O-N 2.85Å; Q344-A347 VanDerWaalsContact O-N 3.13Å |
| 348 | W | 95.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -91.7 | 161.5 | 170.6 | -68.6 | 113.1 | 0 | 0 | 0 | 111.8 | R307 Q313 L343 K346 D352 L403 D405 | R307-W348 HydrophobicContact CG-CZ2 4.38Å; Q313-W348 HydrophobicContact CB-CZ2 3.99Å; L343-W348 CarbonylContact C-O 3.57Å; L343-W348 HydrophobicContact CB-CB 3.88Å; L343-W348 HydrophobicContact CD2-CB 3.5Å; L343-W348 VanDerWaalsContact CD2-CB 3.5Å; L343-W348 HydrophobicContact CD2-CG 4.22Å; L343-W348 HydrophobicContact CG-CB 4.26Å; L343-W348 PolarHBondContact O-N 3.3Å; K346-W348 PolarHBondContact O-N 2.88Å; W348-D352 HydrophobicContact CE3-CB 3.63Å; W348-D352 HydrophobicContact CZ3-CB 3.95Å; W348-L403 HydrophobicContact CB-CD1 4.24Å; W348-L403 HydrophobicContact CD2-CB 4.27Å; W348-L403 HydrophobicContact CD2-CD1 3.77Å; W348-L403 HydrophobicContact CE3-CB 4.2Å; W348-L403 HydrophobicContact CE3-CD1 4.43Å; W348-L403 HydrophobicContact CG-CD1 3.65Å; W348-L403 HydrophobicContact CH2-CB 4.19Å; W348-L403 HydrophobicContact CZ2-CB 4.27Å; W348-L403 HydrophobicContact CZ3-CB 4.13Å; W348-D405 HydrophobicContact CE3-CB 4.34Å; W348-D405 HydrophobicContact CH2-CB 3.88Å; W348-D405 HydrophobicContact CZ3-CB 3.36Å | ||
| 349 | K | 94.1 | Very high | 94.9 | Very high | 130 Ų | 130 | 46.6 Ų | 46.6 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | trans | -126.2 | 157.5 | 175.3 | -60.7 | 172.9 | -176.7 | 174.5 | 0 | 110.3 | K351 D352 | K349-K351 HydrophobicContact CB-CG 4.04Å; K349-K351 PolarHBondContact O-N 2.87Å; K349-K351 VanDerWaalsContact O-N 3.11Å; K349-D352 WeakPolarHBondContact CA-OD2 3.35Å; K349-D352 WeakPolarHBondContact CB-OD2 3.09Å; K349-D352 PolarHBondContact N-OD2 2.84Å; K349-D352 WeakPolarHBondContact O-CB 3.22Å; K349-D352 PolarHBondContact O-N 2.88Å | ||
| 350 | M | 93.6 | Very high | 95 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 16% | 0.163 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -53.3 | -35.9 | 176.5 | -68.5 | -61.7 | -74.6 | 0 | 0 | 112.9 | L336 L339 Q340 L343 D352 I353 Y376 F377 | L336-M350 HydrophobicContact CD2-CE 4.4Å; L339-M350 HydrophobicContact CD2-CE 4.37Å; L339-M350 HydrophobicContact CD2-SD 4.34Å; L339-M350 HydrophobicContact CG-SD 4.44Å; Q340-M350 HydrophobicContact CG-CG 4.15Å; Q340-M350 HydrophobicContact CG-SD 3.76Å; L343-M350 HydrophobicContact CD1-CG 4.38Å; L343-M350 HydrophobicContact CD1-SD 3.52Å; L343-M350 VanDerWaalsContact CD1-SD 3.52Å; M350-D352 PolarHBondContact O-N 2.9Å; M350-I353 HydrophobicContact CE-CD1 4.21Å; M350-I353 WeakPolarHBondContact O-CB 3.46Å; M350-I353 WeakPolarHBondContact O-CG1 3.43Å; M350-I353 PolarHBondContact O-N 2.82Å; M350-I353 HydrophobicContact SD-CD1 4.03Å; M350-Y376 HydrophobicContact CE-CD1 4.2Å; M350-F377 HydrophobicContact CE-CD2 4.39Å; M350-F377 HydrophobicContact CE-CE1 3.76Å; M350-F377 HydrophobicContact CE-CE2 3.63Å; M350-F377 HydrophobicContact CE-CZ 3.28Å |
| 351 | K | 92.1 | Very high | 95 | Very high | 142 Ų | 142 | 46.9 Ų | 46.9 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -66.6 | -16.4 | 178.9 | 72.1 | 172.5 | -170 | 164.7 | 0 | 114.1 | K349 I353 R418 | K349-K351 HydrophobicContact CB-CG 4.04Å; K349-K351 PolarHBondContact O-N 2.87Å; K349-K351 VanDerWaalsContact O-N 3.11Å; K351-I353 VanDerWaalsContact C-N 3.32Å; K351-R418 VanDerWaalsContact O-CZ 3.22Å; K351-R418 PolarHBondContact O-NH1 2.84Å; K351-R418 PolarHBondContact O-NH2 3.02Å |
| 352 | D | 94.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -85.3 | -11.6 | -177.1 | -53.1 | -32.4 | 0 | 0 | 0 | 111.3 | W348 K349 M350 L403 H404 R418 | W348-D352 HydrophobicContact CE3-CB 3.63Å; W348-D352 HydrophobicContact CZ3-CB 3.95Å; K349-D352 WeakPolarHBondContact CA-OD2 3.35Å; K349-D352 WeakPolarHBondContact CB-OD2 3.09Å; K349-D352 PolarHBondContact N-OD2 2.84Å; K349-D352 WeakPolarHBondContact O-CB 3.22Å; K349-D352 PolarHBondContact O-N 2.88Å; M350-D352 PolarHBondContact O-N 2.9Å; D352-L403 WeakPolarHBondContact O-CA 3.44Å; D352-H404 PolarHBondContact O-N 3.06Å; D352-R418 VanDerWaalsContact CA-NH2 3.31Å; D352-R418 PolarHBondContact O-NH2 2.87Å; D352-R418 VanDerWaalsContact O-NH2 3.08Å |
| 353 | I | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.3 | 172.9 | -57.8 | 163.6 | 0 | 0 | 0 | 109.7 | L339 L343 M350 K351 V356 F377 P382 C401 L402 L403 R418 | L339-I353 HydrophobicContact CD2-CD1 3.87Å; L343-I353 HydrophobicContact CD1-CD1 4.12Å; M350-I353 HydrophobicContact CE-CD1 4.21Å; M350-I353 WeakPolarHBondContact O-CB 3.46Å; M350-I353 WeakPolarHBondContact O-CG1 3.43Å; M350-I353 PolarHBondContact O-N 2.82Å; M350-I353 HydrophobicContact SD-CD1 4.03Å; K351-I353 VanDerWaalsContact C-N 3.32Å; I353-V356 HydrophobicContact CG2-CG2 3.62Å; I353-F377 HydrophobicContact CB-CE1 4.37Å; I353-F377 HydrophobicContact CD1-CE1 3.75Å; I353-F377 HydrophobicContact CD1-CZ 3.63Å; I353-P382 HydrophobicContact CG2-CB 3.85Å; I353-P382 HydrophobicContact CG2-CG 3.91Å; I353-C401 HydrophobicContact CG2-CB 3.94Å; I353-L402 WeakPolarHBondContact CA-O 3.28Å; I353-L403 HydrophobicContact CB-CD2 4.16Å; I353-L403 HydrophobicContact CG1-CD2 3.36Å; I353-R418 PolarHBondContact O-NH2 3.37Å |
| 354 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -30.3 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | P382 A383 L402 H404 R418 F441 V443 F448 | V354-P382 WeakPolarHBondContact O-CB 3.36Å; V354-A383 PolarHBondContact O-N 2.87Å; V354-L402 HydrophobicContact CG2-CB 3.95Å; V354-L402 HydrophobicContact CG2-CD2 3.68Å; V354-L402 HydrophobicContact CG2-CG 3.61Å; V354-L402 WeakPolarHBondContact CG2-O 3.31Å; V354-L402 PolarHBondContact N-O 3.25Å; V354-H404 HydrophobicContact CG1-CB 3.91Å; V354-H404 HydrophobicContact CG2-CB 4.45Å; V354-R418 VanDerWaalsContact CG1-NH2 3.31Å; V354-F441 HydrophobicContact CB-CB 4.43Å; V354-F441 HydrophobicContact CB-CD1 3.8Å; V354-F441 HydrophobicContact CB-CE1 4.18Å; V354-F441 HydrophobicContact CB-CG 4.02Å; V354-F441 HydrophobicContact CG1-CD1 3.73Å; V354-F441 HydrophobicContact CG1-CE1 3.64Å; V354-F441 HydrophobicContact CG1-CG 4.39Å; V354-F441 HydrophobicContact CG1-CZ 4.23Å; V354-F441 WeakPolarHBondContact O-CB 3.41Å; V354-V443 HydrophobicContact CG1-CG2 4.03Å; V354-F448 HydrophobicContact CG2-CD2 4.47Å |
| 355 | L | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.3 | 179 | 174.6 | 65.4 | 0 | 0 | 0 | 110.1 | W314 A383 C401 L402 F448 | W314-L355 HydrophobicContact CH2-CD2 3.94Å; L355-A383 CarbonylContact C-O 3.5Å; L355-A383 WeakPolarHBondContact CA-O 3.47Å; L355-A383 HydrophobicContact CD1-CB 3.93Å; L355-C401 CarbonylContact O-C 3.52Å; L355-C401 VanDerWaalsContact O-CA 3.26Å; L355-C401 WeakPolarHBondContact O-CA 3.4Å; L355-L402 HydrophobicContact CB-CB 4Å; L355-L402 HydrophobicContact CB-CD2 4.48Å; L355-L402 PolarHBondContact O-N 3.19Å; L355-F448 HydrophobicContact CB-CB 4.41Å; L355-F448 HydrophobicContact CD2-CB 4.41Å; L355-F448 HydrophobicContact CD2-CD1 4.18Å |
| 356 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.8 | 174.4 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | I353 L358 P382 A383 R384 V385 M399 D400 C401 | I353-V356 HydrophobicContact CG2-CG2 3.62Å; V356-L358 HydrophobicContact CG1-CB 4.39Å; V356-P382 HydrophobicContact CG2-CB 4.19Å; V356-P382 HydrophobicContact CG2-CG 3.7Å; V356-A383 PolarHBondContact N-O 3.5Å; V356-R384 HydrophobicContact CB-CG 4.25Å; V356-R384 HydrophobicContact CG1-CG 4.37Å; V356-R384 CarbonylContact O-C 3.56Å; V356-R384 VanDerWaalsContact O-CA 3.26Å; V356-R384 WeakPolarHBondContact O-CA 3.16Å; V356-V385 PolarHBondContact O-N 3.23Å; V356-M399 HydrophobicContact CG1-CG 3.7Å; V356-M399 HydrophobicContact CG1-SD 3.88Å; V356-D400 WeakPolarHBondContact CA-O 3.39Å; V356-C401 HydrophobicContact CG2-CB 4.18Å |
| 357 | H | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.6 | 160.6 | -72 | -102.9 | 0 | 0 | 0 | 108.5 | W314 Y359 M399 D400 H555 R639 | W314-H357 AromaticContact CH2-CD2 3.96Å; W314-H357 AromaticContact CZ2-CD2 3.86Å; H357-Y359 HydrophobicContact CB-CE2 3.95Å; H357-M399 WeakPolarHBondContact O-CA 3.32Å; H357-D400 IonicContact CD2-OD1 2.68Å; H357-D400 IonicContact CG-OD1 3.56Å; H357-D400 PolarHBondContact N-O 3.38Å; H357-D400 PolarHBondContact O-N 3Å; H357-H555 AromaticContact CE1-CD2 3.83Å; H357-H555 AromaticContact CE1-NE2 3.84Å; H357-H555 AromaticContact NE2-NE2 3.79Å; H357-R639 PolarHBondContact CD2-NH2 3.33Å |
| 358 | L | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 114.7 | -178.3 | -178.2 | 64.7 | 0 | 0 | 0 | 109 | V356 V360 L369 V385 C386 V387 L397 Q398 M399 | V356-L358 HydrophobicContact CG1-CB 4.39Å; L358-V360 HydrophobicContact CG-CG1 4.41Å; L358-L369 HydrophobicContact CD1-CD1 4.38Å; L358-L369 HydrophobicContact CD2-CD1 3.89Å; L358-L369 HydrophobicContact CD2-CD2 3.48Å; L358-L369 VanDerWaalsContact CD2-CD2 3.48Å; L358-L369 HydrophobicContact CD2-CG 4.34Å; L358-L369 HydrophobicContact CG-CD1 4.49Å; L358-V385 PolarHBondContact N-O 2.75Å; L358-C386 VanDerWaalsContact O-CA 3.25Å; L358-C386 WeakPolarHBondContact O-CA 3.44Å; L358-V387 PolarHBondContact O-N 3.32Å; L358-V387 VanDerWaalsContact O-N 3.15Å; L358-L397 HydrophobicContact CD1-CB 4.45Å; L358-L397 HydrophobicContact CD1-CD1 4.15Å; L358-Q398 WeakPolarHBondContact CA-O 3.41Å; L358-M399 HydrophobicContact CD1-CB 4.1Å; L358-M399 HydrophobicContact CD1-CG 4.48Å |
| 359 | Y | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.8 | 174.1 | -55.6 | -79.7 | 0 | 0 | 0 | 108.4 | H357 V387 A389 L397 Q398 Y500 R639 V674 | H357-Y359 HydrophobicContact CB-CE2 3.95Å; Y359-V387 WeakPolarHBondContact CA-O 3.24Å; Y359-V387 HydrophobicContact CD1-CG2 3.55Å; Y359-V387 HydrophobicContact CE1-CG2 3.67Å; Y359-A389 HydrophobicContact CD1-CB 4.14Å; Y359-A389 HydrophobicContact CG-CB 4.39Å; Y359-L397 CarbonylContact O-C 3.49Å; Y359-L397 WeakPolarHBondContact O-CA 3.21Å; Y359-Q398 HydrophobicContact CD2-CB 4.44Å; Y359-Q398 PolarHBondContact N-O 2.97Å; Y359-Q398 PolarHBondContact O-N 2.86Å; Y359-Y500 HydrophobicContact CE1-CE1 4.44Å; Y359-R639 WeakPolarHBondContact OH-CD 3.4Å; Y359-V674 HydrophobicContact CD1-CG1 3.74Å; Y359-V674 HydrophobicContact CD2-CG2 4.26Å; Y359-V674 HydrophobicContact CE1-CB 4.44Å; Y359-V674 HydrophobicContact CE1-CG1 3.48Å; Y359-V674 VanDerWaalsContact CE1-CG1 3.48Å; Y359-V674 HydrophobicContact CE1-CG2 4.07Å; Y359-V674 HydrophobicContact CE2-CG1 4.38Å; Y359-V674 HydrophobicContact CE2-CG2 3.59Å; Y359-V674 HydrophobicContact CG-CG1 4.3Å; Y359-V674 VanDerWaalsContact CZ-CG2 3.48Å |
| 360 | V | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.3 | 176.6 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | L358 M363 L369 V387 Q388 A389 | L358-V360 HydrophobicContact CG-CG1 4.41Å; V360-M363 HydrophobicContact CG2-CE 3.81Å; V360-M363 HydrophobicContact CG2-SD 4.29Å; V360-L369 HydrophobicContact CG1-CD1 3.82Å; V360-V387 PolarHBondContact N-O 2.91Å; V360-Q388 CarbonylContact O-C 3.52Å; V360-Q388 VanDerWaalsContact O-CA 3.25Å; V360-Q388 WeakPolarHBondContact O-CA 3.18Å; V360-Q388 WeakPolarHBondContact O-CG 3.49Å; V360-A389 PolarHBondContact O-N 3.08Å |
| 361 | R | 95.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -71.7 | -38.9 | 177.1 | -173 | -175.2 | -178.1 | 95.9 | 5 | 111.6 | Q388 L391 P392 L396 | R361-Q388 VanDerWaalsContact O-CD 3.29Å; R361-Q388 VanDerWaalsContact O-CG 3.26Å; R361-Q388 WeakPolarHBondContact O-CG 3.35Å; R361-Q388 PolarHBondContact O-NE2 2.97Å; R361-L391 HydrophobicContact CB-CB 4.43Å; R361-L391 HydrophobicContact CB-CD1 4.42Å; R361-L391 PolarHBondContact NH1-O 2.87Å; R361-P392 VanDerWaalsContact NH1-C 3.28Å; R361-P392 PolarHBondContact NH1-O 3.04Å; R361-L396 HydrophobicContact CB-CD2 4.41Å; R361-L396 PolarHBondContact N-O 2.91Å |
| 362 | N | 96.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | trans | -131.5 | 128 | 177.4 | -172.7 | -5.5 | 0 | 0 | 0 | 109.8 | E364 D365 | N362-E364 PolarHBondContact ND2-OE2 3.37Å; N362-E364 PolarHBondContact O-N 3.13Å; N362-E364 WeakPolarHBondContact OD1-CB 3.47Å; N362-E364 WeakPolarHBondContact OD1-CG 3.17Å; N362-E364 PolarHBondContact OD1-N 3.5Å; N362-D365 WeakPolarHBondContact O-CB 3.38Å; N362-D365 PolarHBondContact O-N 2.75Å | ||
| 363 | M | 96.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 9% | 0.089 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -69.5 | -17.7 | 178 | -167.6 | 55 | 63.5 | 0 | 0 | 112.9 | V360 D365 F366 Q388 A545 P547 | V360-M363 HydrophobicContact CG2-CE 3.81Å; V360-M363 HydrophobicContact CG2-SD 4.29Å; M363-D365 PolarHBondContact O-N 3.17Å; M363-F366 WeakPolarHBondContact O-CB 3.44Å; M363-F366 PolarHBondContact O-N 2.94Å; M363-F366 VanDerWaalsContact O-N 3.15Å; M363-F366 HydrophobicContact SD-CB 4.1Å; M363-F366 HydrophobicContact SD-CD2 3.93Å; M363-F366 HydrophobicContact SD-CG 4.32Å; M363-Q388 HydrophobicContact CB-CB 4.45Å; M363-Q388 HydrophobicContact CE-CB 4.09Å; M363-A545 HydrophobicContact CB-CB 4.13Å; M363-P547 HydrophobicContact CE-CG 4.15Å; M363-P547 HydrophobicContact SD-CB 4.32Å; M363-P547 HydrophobicContact SD-CG 3.98Å |
| 364 | E | 96.3 | Very high | 96.6 | Very high | 162 Ų | 162 | 35.8 Ų | 35.8 | 76% | 0.757 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -59.8 | -27.7 | 172.7 | -65.6 | 174.2 | 162.2 | 0 | 0 | 112.4 | N362 F366 | N362-E364 PolarHBondContact ND2-OE2 3.37Å; N362-E364 PolarHBondContact O-N 3.13Å; N362-E364 WeakPolarHBondContact OD1-CB 3.47Å; N362-E364 WeakPolarHBondContact OD1-CG 3.17Å; N362-E364 PolarHBondContact OD1-N 3.5Å; E364-F366 PolarHBondContact O-N 2.66Å |
| 365 | D | 96.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -75.4 | -4.2 | 179.8 | -70.1 | -40 | 0 | 0 | 0 | 113.9 | I328 N362 M363 V367 S368 L369 | I328-D365 HydrophobicContact CB-CB 4Å; I328-D365 HydrophobicContact CD1-CB 4.26Å; I328-D365 HydrophobicContact CG1-CB 3.82Å; I328-D365 HydrophobicContact CG2-CB 3.94Å; N362-D365 WeakPolarHBondContact O-CB 3.38Å; N362-D365 PolarHBondContact O-N 2.75Å; M363-D365 PolarHBondContact O-N 3.17Å; D365-V367 VanDerWaalsContact C-N 3.28Å; D365-V367 PolarHBondContact O-N 2.76Å; D365-S368 PolarHBondContact O-N 2.84Å; D365-L369 WeakPolarHBondContact O-CB 3.34Å; D365-L369 PolarHBondContact O-N 3.38Å |
| 366 | F | 96.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.4 | -40.6 | -173.7 | -176.7 | -99.1 | 0 | 0 | 0 | 113.3 | M363 E364 N370 C386 I434 P547 | M363-F366 WeakPolarHBondContact O-CB 3.44Å; M363-F366 PolarHBondContact O-N 2.94Å; M363-F366 VanDerWaalsContact O-N 3.15Å; M363-F366 HydrophobicContact SD-CB 4.1Å; M363-F366 HydrophobicContact SD-CD2 3.93Å; M363-F366 HydrophobicContact SD-CG 4.32Å; E364-F366 PolarHBondContact O-N 2.66Å; F366-N370 VanDerWaalsContact CD1-ND2 3.31Å; F366-N370 WeakPolarHBondContact CD1-ND2 3.37Å; F366-N370 WeakPolarHBondContact CE1-ND2 3.31Å; F366-N370 VanDerWaalsContact CZ-ND2 3.28Å; F366-N370 WeakPolarHBondContact CZ-ND2 3.32Å; F366-N370 VanDerWaalsContact O-CB 3.32Å; F366-N370 WeakPolarHBondContact O-CB 3.21Å; F366-N370 PolarHBondContact O-N 2.82Å; F366-N370 VanDerWaalsContact O-N 3.12Å; F366-N370 PolarHBondContact O-ND2 3.17Å; F366-C386 HydrophobicContact CE2-CB 4.29Å; F366-I434 HydrophobicContact CE1-CD1 4.01Å; F366-I434 HydrophobicContact CE1-CG1 4.23Å; F366-I434 WeakPolarHBondContact CE1-O 3.34Å; F366-I434 HydrophobicContact CZ-CD1 3.83Å; F366-I434 HydrophobicContact CZ-CG1 3.99Å; F366-P547 HydrophobicContact CE2-CB 4.42Å; F366-P547 HydrophobicContact CE2-CG 4.29Å |
| 367 | V | 95.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 46.8 Ų | 46.8 | 68% | 0.679 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.2 | -49.8 | -178.5 | 178 | 0 | 0 | 0 | 0 | 111.1 | D365 N370 A371 | D365-V367 VanDerWaalsContact C-N 3.28Å; D365-V367 PolarHBondContact O-N 2.76Å; V367-N370 PolarHBondContact O-N 2.79Å; V367-A371 PolarHBondContact O-N 2.96Å; V367-A371 VanDerWaalsContact O-N 3.12Å |
| 368 | S | 96.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 179.5 | -67.9 | 0 | 0 | 0 | 0 | 112 | D365 N370 A371 V372 | D365-S368 PolarHBondContact O-N 2.84Å; S368-N370 VanDerWaalsContact C-N 3.34Å; S368-N370 PolarHBondContact O-N 2.77Å; S368-A371 WeakPolarHBondContact O-CB 3.13Å; S368-A371 PolarHBondContact O-N 3.13Å; S368-V372 PolarHBondContact O-N 2.71Å |
| 369 | L | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 173.9 | -179.6 | 145.8 | 0 | 0 | 0 | 111.6 | I328 T332 L358 V360 D365 A371 V372 Y373 L397 | I328-L369 HydrophobicContact CD1-CD1 4.17Å; I328-L369 HydrophobicContact CG1-CB 4.06Å; I328-L369 HydrophobicContact CG1-CD1 4.25Å; T332-L369 HydrophobicContact CG2-CG 4.06Å; L358-L369 HydrophobicContact CD1-CD1 4.38Å; L358-L369 HydrophobicContact CD2-CD1 3.89Å; L358-L369 HydrophobicContact CD2-CD2 3.48Å; L358-L369 VanDerWaalsContact CD2-CD2 3.48Å; L358-L369 HydrophobicContact CD2-CG 4.34Å; L358-L369 HydrophobicContact CG-CD1 4.49Å; V360-L369 HydrophobicContact CG1-CD1 3.82Å; D365-L369 WeakPolarHBondContact O-CB 3.34Å; D365-L369 PolarHBondContact O-N 3.38Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 2.87Å; L369-V372 PolarHBondContact O-N 3.33Å; L369-V372 VanDerWaalsContact O-N 3.16Å; L369-Y373 WeakPolarHBondContact O-CB 3.43Å; L369-Y373 PolarHBondContact O-N 3.36Å; L369-L397 HydrophobicContact CD1-CD2 4.35Å |
| 370 | N | 95.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -29.4 | -177.9 | -76 | -28 | 0 | 0 | 0 | 112.7 | F366 V367 S368 V372 Y373 R374 R384 P436 | F366-N370 VanDerWaalsContact CD1-ND2 3.31Å; F366-N370 WeakPolarHBondContact CD1-ND2 3.37Å; F366-N370 WeakPolarHBondContact CE1-ND2 3.31Å; F366-N370 VanDerWaalsContact CZ-ND2 3.28Å; F366-N370 WeakPolarHBondContact CZ-ND2 3.32Å; F366-N370 VanDerWaalsContact O-CB 3.32Å; F366-N370 WeakPolarHBondContact O-CB 3.21Å; F366-N370 PolarHBondContact O-N 2.82Å; F366-N370 VanDerWaalsContact O-N 3.12Å; F366-N370 PolarHBondContact O-ND2 3.17Å; V367-N370 PolarHBondContact O-N 2.79Å; S368-N370 VanDerWaalsContact C-N 3.34Å; S368-N370 PolarHBondContact O-N 2.77Å; N370-V372 VanDerWaalsContact C-N 3.3Å; N370-V372 PolarHBondContact O-N 2.95Å; N370-Y373 PolarHBondContact O-N 3.32Å; N370-R374 WeakPolarHBondContact O-CB 3.24Å; N370-R374 PolarHBondContact O-N 3.01Å; N370-R384 PolarHBondContact OD1-NH1 2.86Å; N370-R384 PolarHBondContact OD1-NH2 3.27Å; N370-P436 HydrophobicContact CB-CG 4.29Å; N370-P436 WeakPolarHBondContact OD1-CD 3.34Å |
| 371 | A | 95 | Very high | 92.9 | Very high | 56 Ų | 56 | 58 Ų | 58 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.5 | -34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V367 S368 L369 | V367-A371 PolarHBondContact O-N 2.96Å; V367-A371 VanDerWaalsContact O-N 3.12Å; S368-A371 WeakPolarHBondContact O-CB 3.13Å; S368-A371 PolarHBondContact O-N 3.13Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 2.87Å |
| 372 | V | 96 | Very high | 93 | Very high | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.8 | -49.3 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | E329 T332 L333 L336 S368 L369 N370 R374 K375 Y376 | E329-V372 HydrophobicContact CB-CG2 3.95Å; E329-V372 HydrophobicContact CG-CG2 4.14Å; T332-V372 HydrophobicContact CG2-CB 3.84Å; T332-V372 HydrophobicContact CG2-CG1 3.81Å; L333-V372 HydrophobicContact CB-CG1 4.36Å; L333-V372 HydrophobicContact CD1-CG1 4.37Å; L336-V372 HydrophobicContact CD1-CG1 4.21Å; S368-V372 PolarHBondContact O-N 2.71Å; L369-V372 PolarHBondContact O-N 3.33Å; L369-V372 VanDerWaalsContact O-N 3.16Å; N370-V372 VanDerWaalsContact C-N 3.3Å; N370-V372 PolarHBondContact O-N 2.95Å; V372-R374 VanDerWaalsContact C-N 3.31Å; V372-R374 PolarHBondContact O-N 3.45Å; V372-K375 WeakPolarHBondContact O-CB 3.36Å; V372-K375 PolarHBondContact O-N 2.94Å; V372-Y376 HydrophobicContact CG1-CE2 4.34Å |
| 373 | Y | 95.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -41.1 | -175.6 | -169.3 | -79.9 | 0 | 0 | 0 | 113.1 | L369 N370 K375 Y376 F377 P436 | L369-Y373 WeakPolarHBondContact O-CB 3.43Å; L369-Y373 PolarHBondContact O-N 3.36Å; N370-Y373 PolarHBondContact O-N 3.32Å; Y373-K375 PolarHBondContact O-N 3.32Å; Y373-K375 VanDerWaalsContact O-N 3.15Å; Y373-Y376 PolarHBondContact O-N 2.9Å; Y373-F377 HydrophobicContact CD1-CB 4.37Å; Y373-F377 AromaticContact CD1-CD2 3.64Å; Y373-F377 HydrophobicContact CD1-CD2 3.64Å; Y373-F377 HydrophobicContact CD1-CE2 4.39Å; Y373-F377 HydrophobicContact CD1-CG 4.42Å; Y373-F377 HydrophobicContact CD2-CD2 4.36Å; Y373-F377 HydrophobicContact CD2-CE2 4.37Å; Y373-F377 HydrophobicContact CE1-CB 3.97Å; Y373-F377 AromaticContact CE1-CD2 3.16Å; Y373-F377 HydrophobicContact CE1-CD2 3.16Å; Y373-F377 AromaticContact CE1-CE2 3.78Å; Y373-F377 HydrophobicContact CE1-CE2 3.78Å; Y373-F377 AromaticContact CE1-CG 3.8Å; Y373-F377 HydrophobicContact CE1-CG 3.8Å; Y373-F377 AromaticContact CE2-CD2 3.95Å; Y373-F377 HydrophobicContact CE2-CD2 3.95Å; Y373-F377 AromaticContact CE2-CE2 3.73Å; Y373-F377 HydrophobicContact CE2-CE2 3.73Å; Y373-F377 HydrophobicContact CG-CD2 4.24Å; Y373-F377 AromaticContact CZ-CD2 3.34Å; Y373-F377 AromaticContact CZ-CE2 3.4Å; Y373-F377 VanDerWaalsContact CZ-CE2 3.4Å; Y373-F377 PolarHBondContact O-N 3.41Å; Y373-P436 HydrophobicContact CD1-CB 3.97Å; Y373-P436 HydrophobicContact CD1-CG 3.44Å; Y373-P436 VanDerWaalsContact CD1-CG 3.44Å; Y373-P436 HydrophobicContact CE1-CB 4.48Å; Y373-P436 HydrophobicContact CE1-CG 4.23Å; Y373-P436 WeakPolarHBondContact CE1-O 3.29Å; Y373-P436 HydrophobicContact CG-CG 4.16Å |
| 374 | R | 93.5 | Very high | 93.1 | Very high | 140 Ų | 140 | 51.8 Ų | 51.8 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.6 | 179.7 | -172.2 | -178 | -65.7 | -151.5 | -2.1 | 113.5 | N370 V372 Y376 F377 P436 | N370-R374 WeakPolarHBondContact O-CB 3.24Å; N370-R374 PolarHBondContact O-N 3.01Å; V372-R374 VanDerWaalsContact C-N 3.31Å; V372-R374 PolarHBondContact O-N 3.45Å; R374-Y376 PolarHBondContact O-N 3.47Å; R374-F377 CarbonylContact O-C 3.51Å; R374-F377 VanDerWaalsContact O-O 3.11Å; R374-P436 HydrophobicContact CB-CB 3.99Å; R374-P436 HydrophobicContact CB-CG 4.17Å; R374-P436 HydrophobicContact CG-CB 4.27Å |
| 375 | K | 93.3 | Very high | 93.2 | Very high | 168 Ų | 168 | 44.1 Ų | 44.1 | 73% | 0.73 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.6 | 177.1 | -59 | 176.6 | -176.2 | 174.4 | 0 | 112.3 | V372 Y373 | V372-K375 WeakPolarHBondContact O-CB 3.36Å; V372-K375 PolarHBondContact O-N 2.94Å; Y373-K375 PolarHBondContact O-N 3.32Å; Y373-K375 VanDerWaalsContact O-N 3.15Å |
| 376 | Y | 93.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -27.8 | -177.7 | -70 | -98.8 | 0 | 0 | 0 | 112.8 | L333 L336 Q340 M350 V372 Y373 R374 | L333-Y376 HydrophobicContact CD1-CE2 4.24Å; L333-Y376 VanDerWaalsContact CD1-OH 3.23Å; L333-Y376 WeakPolarHBondContact CD1-OH 3.47Å; L336-Y376 HydrophobicContact CB-CD1 4.05Å; L336-Y376 HydrophobicContact CB-CD2 4.28Å; L336-Y376 HydrophobicContact CB-CE1 3.82Å; L336-Y376 HydrophobicContact CB-CE2 4.07Å; L336-Y376 HydrophobicContact CB-CG 4.27Å; L336-Y376 HydrophobicContact CD1-CD2 3.46Å; L336-Y376 VanDerWaalsContact CD1-CD2 3.46Å; L336-Y376 HydrophobicContact CD1-CE2 3.71Å; L336-Y376 HydrophobicContact CD1-CG 3.9Å; L336-Y376 HydrophobicContact CD2-CG 4.36Å; L336-Y376 HydrophobicContact CG-CD2 4.35Å; L336-Y376 HydrophobicContact CG-CE2 4.5Å; L336-Y376 HydrophobicContact CG-CG 4.41Å; Q340-Y376 HydrophobicContact CG-CE1 4.45Å; M350-Y376 HydrophobicContact CE-CD1 4.2Å; V372-Y376 HydrophobicContact CG1-CE2 4.34Å; Y373-Y376 PolarHBondContact O-N 2.9Å; R374-Y376 PolarHBondContact O-N 3.47Å |
| 377 | F | 90.9 | Very high | 93.4 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | trans | -128.6 | 105.6 | 177.6 | -56.2 | -84.3 | 0 | 0 | 0 | 109.9 | L336 M350 I353 Y373 R374 P381 P382 | L336-F377 HydrophobicContact CD2-CE2 4.12Å; M350-F377 HydrophobicContact CE-CD2 4.39Å; M350-F377 HydrophobicContact CE-CE1 3.76Å; M350-F377 HydrophobicContact CE-CE2 3.63Å; M350-F377 HydrophobicContact CE-CZ 3.28Å; I353-F377 HydrophobicContact CB-CE1 4.37Å; I353-F377 HydrophobicContact CD1-CE1 3.75Å; I353-F377 HydrophobicContact CD1-CZ 3.63Å; Y373-F377 HydrophobicContact CD1-CB 4.37Å; Y373-F377 AromaticContact CD1-CD2 3.64Å; Y373-F377 HydrophobicContact CD1-CD2 3.64Å; Y373-F377 HydrophobicContact CD1-CE2 4.39Å; Y373-F377 HydrophobicContact CD1-CG 4.42Å; Y373-F377 HydrophobicContact CD2-CD2 4.36Å; Y373-F377 HydrophobicContact CD2-CE2 4.37Å; Y373-F377 HydrophobicContact CE1-CB 3.97Å; Y373-F377 AromaticContact CE1-CD2 3.16Å; Y373-F377 HydrophobicContact CE1-CD2 3.16Å; Y373-F377 AromaticContact CE1-CE2 3.78Å; Y373-F377 HydrophobicContact CE1-CE2 3.78Å; Y373-F377 AromaticContact CE1-CG 3.8Å; Y373-F377 HydrophobicContact CE1-CG 3.8Å; Y373-F377 AromaticContact CE2-CD2 3.95Å; Y373-F377 HydrophobicContact CE2-CD2 3.95Å; Y373-F377 AromaticContact CE2-CE2 3.73Å; Y373-F377 HydrophobicContact CE2-CE2 3.73Å; Y373-F377 HydrophobicContact CG-CD2 4.24Å; Y373-F377 AromaticContact CZ-CD2 3.34Å; Y373-F377 AromaticContact CZ-CE2 3.4Å; Y373-F377 VanDerWaalsContact CZ-CE2 3.4Å; Y373-F377 PolarHBondContact O-N 3.41Å; R374-F377 CarbonylContact O-C 3.51Å; R374-F377 VanDerWaalsContact O-O 3.11Å; F377-P381 HydrophobicContact CB-CB 3.73Å; F377-P382 HydrophobicContact CD1-CG 4.01Å; F377-P382 HydrophobicContact CE1-CG 3.82Å; F377-P382 HydrophobicContact CZ-CG 4.25Å | ||
| 378 | N | 74.5 | Confident | 93.5 | Very high | 114 Ų | 114 | 37.8 Ų | 37.8 | 61% | 0.61 | 19% | 0.189 | S | C | * | . | trans | -102.5 | -66.4 | -175.1 | 61.4 | -11.6 | 0 | 0 | 0 | 112.7 | ||||
| 379 | I | 78.8 | Confident | 93.5 | Very high | 86 Ų | 86 | 35.6 Ų | 35.6 | 44% | 0.441 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -102.8 | 125.2 | -174.3 | -59.4 | 170.6 | 0 | 0 | 0 | 106.9 | ||
| 380 | N | 83.5 | Confident | 93.3 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 49.4 | 58 | -178.7 | -63.3 | -33.4 | 0 | 0 | 0 | 113.2 | N80 A420 | N80-N380 PolarHBondContact ND2-ND2 3.46Å; N80-N380 PolarHBondContact OD1-ND2 3.46Å; N380-A420 HydrophobicContact CB-CB 3.73Å |
| 381 | P | 93.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 157.8 | 174 | 27.6 | -37.8 | 0 | 0 | 0 | 111 | F377 P436 Y437 S438 | F377-P381 HydrophobicContact CB-CB 3.73Å; P381-P436 WeakPolarHBondContact CB-O 3.36Å; P381-Y437 VanDerWaalsContact CG-C 3.43Å; P381-S438 WeakPolarHBondContact O-CB 3.32Å; P381-S438 PolarHBondContact O-N 3.02Å; P381-S438 PolarHBondContact O-OG 2.84Å |
| 382 | P | 97 | Very high | 92.6 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 160.4 | 177 | 25.2 | -34.8 | 0 | 0 | 0 | 112 | I353 V354 V356 F377 Y437 S438 | I353-P382 HydrophobicContact CG2-CB 3.85Å; I353-P382 HydrophobicContact CG2-CG 3.91Å; V354-P382 WeakPolarHBondContact O-CB 3.36Å; V356-P382 HydrophobicContact CG2-CB 4.19Å; V356-P382 HydrophobicContact CG2-CG 3.7Å; F377-P382 HydrophobicContact CD1-CG 4.01Å; F377-P382 HydrophobicContact CE1-CG 3.82Å; F377-P382 HydrophobicContact CZ-CG 4.25Å; P382-Y437 WeakPolarHBondContact O-CA 3.31Å; P382-S438 PolarHBondContact O-N 3.19Å; P382-S438 VanDerWaalsContact O-N 3.09Å |
| 383 | A | 98.2 | Very high | 92 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 145.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V354 L355 V356 S438 F441 F448 A450 | V354-A383 PolarHBondContact O-N 2.87Å; L355-A383 CarbonylContact C-O 3.5Å; L355-A383 WeakPolarHBondContact CA-O 3.47Å; L355-A383 HydrophobicContact CD1-CB 3.93Å; V356-A383 PolarHBondContact N-O 3.5Å; A383-S438 WeakPolarHBondContact CA-O 3.41Å; A383-F441 HydrophobicContact CB-CB 4.19Å; A383-F448 WeakPolarHBondContact CB-O 3.25Å; A383-A450 HydrophobicContact CB-CB 4.41Å |
| 384 | R | 98.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 135.4 | -175.1 | -167.3 | 178.4 | 69.3 | 168.2 | 5.8 | 113 | V356 N370 Y437 A450 G451 | V356-R384 HydrophobicContact CB-CG 4.25Å; V356-R384 HydrophobicContact CG1-CG 4.37Å; V356-R384 CarbonylContact O-C 3.56Å; V356-R384 VanDerWaalsContact O-CA 3.26Å; V356-R384 WeakPolarHBondContact O-CA 3.16Å; N370-R384 PolarHBondContact OD1-NH1 2.86Å; N370-R384 PolarHBondContact OD1-NH2 3.27Å; R384-Y437 VanDerWaalsContact CB-CB 3.41Å; R384-Y437 HydrophobicContact CB-CD2 4.44Å; R384-Y437 HydrophobicContact CB-CG 3.97Å; R384-A450 WeakPolarHBondContact O-CA 3.29Å; R384-A450 WeakPolarHBondContact O-CB 3.5Å; R384-G451 PolarHBondContact O-N 2.79Å |
| 385 | V | 98.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.8 | 166 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | V356 L358 V387 Y500 H555 | V356-V385 PolarHBondContact O-N 3.23Å; L358-V385 PolarHBondContact N-O 2.75Å; V385-V387 HydrophobicContact CG1-CG1 4.23Å; V385-Y500 HydrophobicContact CG1-CD2 4.45Å; V385-Y500 HydrophobicContact CG1-CE2 3.66Å; V385-H555 HydrophobicContact CG2-CB 3.64Å; V385-H555 WeakPolarHBondContact CG2-ND1 3.5Å |
| 386 | C | 98.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 99.2 | -174.9 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | L358 F366 P547 | L358-C386 VanDerWaalsContact O-CA 3.25Å; L358-C386 WeakPolarHBondContact O-CA 3.44Å; F366-C386 HydrophobicContact CE2-CB 4.29Å; C386-P547 WeakPolarHBondContact O-CD 3.21Å; C386-P547 WeakPolarHBondContact O-CG 3.46Å |
| 387 | V | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.7 | -173.3 | -56 | 0 | 0 | 0 | 0 | 112 | L358 Y359 V360 V385 Y500 I543 L546 E553 | L358-V387 PolarHBondContact O-N 3.32Å; L358-V387 VanDerWaalsContact O-N 3.15Å; Y359-V387 WeakPolarHBondContact CA-O 3.24Å; Y359-V387 HydrophobicContact CD1-CG2 3.55Å; Y359-V387 HydrophobicContact CE1-CG2 3.67Å; V360-V387 PolarHBondContact N-O 2.91Å; V385-V387 HydrophobicContact CG1-CG1 4.23Å; V387-Y500 HydrophobicContact CB-CD1 4.4Å; V387-Y500 HydrophobicContact CG1-CD1 4.11Å; V387-Y500 HydrophobicContact CG1-CD2 4.04Å; V387-Y500 HydrophobicContact CG1-CE1 4.5Å; V387-Y500 HydrophobicContact CG1-CE2 4.44Å; V387-Y500 HydrophobicContact CG1-CG 3.89Å; V387-Y500 HydrophobicContact CG2-CD1 3.91Å; V387-Y500 HydrophobicContact CG2-CE1 3.9Å; V387-I543 HydrophobicContact CB-CD1 3.63Å; V387-I543 HydrophobicContact CG1-CD1 4.15Å; V387-I543 HydrophobicContact CG2-CD1 4.2Å; V387-L546 HydrophobicContact CB-CD2 4.12Å; V387-L546 HydrophobicContact CG1-CD2 3.57Å; V387-E553 WeakPolarHBondContact CG1-OE1 3.46Å |
| 388 | Q | 98.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 23.3 Ų | 23.3 | 15% | 0.154 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.2 | 173.3 | -168.2 | 170.6 | -37 | 0 | 0 | 109.8 | V360 R361 M363 I543 P544 A545 | V360-Q388 CarbonylContact O-C 3.52Å; V360-Q388 VanDerWaalsContact O-CA 3.25Å; V360-Q388 WeakPolarHBondContact O-CA 3.18Å; V360-Q388 WeakPolarHBondContact O-CG 3.49Å; R361-Q388 VanDerWaalsContact O-CD 3.29Å; R361-Q388 VanDerWaalsContact O-CG 3.26Å; R361-Q388 WeakPolarHBondContact O-CG 3.35Å; R361-Q388 PolarHBondContact O-NE2 2.97Å; M363-Q388 HydrophobicContact CB-CB 4.45Å; M363-Q388 HydrophobicContact CE-CB 4.09Å; Q388-I543 WeakPolarHBondContact O-CB 3.43Å; Q388-P544 HydrophobicContact CB-CB 4.39Å; Q388-P544 HydrophobicContact CG-CB 4.04Å; Q388-P544 HydrophobicContact CG-CG 4.21Å; Q388-P544 WeakPolarHBondContact O-CD 3.25Å; Q388-A545 HydrophobicContact CB-CB 4.12Å; Q388-A545 WeakPolarHBondContact CB-O 3.32Å; Q388-A545 PolarHBondContact N-O 2.7Å; Q388-A545 VanDerWaalsContact N-O 3.09Å |
| 389 | A | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -134.9 | 147.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y359 V360 L391 | Y359-A389 HydrophobicContact CD1-CB 4.14Å; Y359-A389 HydrophobicContact CG-CB 4.39Å; V360-A389 PolarHBondContact O-N 3.08Å; A389-L391 HydrophobicContact CB-CD2 4Å; A389-L391 HydrophobicContact CB-CG 4.27Å; A389-L391 PolarHBondContact O-N 3.48Å | ||
| 390 | P | 93.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 14 Ų | 14 | 16% | 0.162 | 9% | 0.091 | C | C | . | . | trans | -68.8 | 67.9 | 171.3 | 27.1 | -35.2 | 0 | 0 | 0 | 112 | L292 C644 P675 L677 | L292-P390 HydrophobicContact CD1-CB 4.38Å; P390-C644 WeakPolarHBondContact CG-SG 3.29Å; P390-P675 VanDerWaalsContact CD-O 3.28Å; P390-P675 WeakPolarHBondContact CD-O 3.46Å; P390-P675 HydrophobicContact CG-CB 4.06Å; P390-P675 HydrophobicContact CG-CG 4.41Å; P390-P675 WeakPolarHBondContact O-CG 3.25Å; P390-L677 HydrophobicContact CG-CD2 4.46Å | ||
| 391 | L | 90.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 155.5 | -178.1 | -64.2 | -176.8 | 0 | 0 | 0 | 112.4 | R361 A389 Q398 P675 | R361-L391 HydrophobicContact CB-CB 4.43Å; R361-L391 HydrophobicContact CB-CD1 4.42Å; R361-L391 PolarHBondContact NH1-O 2.87Å; A389-L391 HydrophobicContact CB-CD2 4Å; A389-L391 HydrophobicContact CB-CG 4.27Å; A389-L391 PolarHBondContact O-N 3.48Å; L391-Q398 HydrophobicContact CD1-CB 4.44Å; L391-Q398 HydrophobicContact CD2-CB 4.18Å; L391-P675 HydrophobicContact CD2-CG 4.35Å |
| 392 | P | 85.3 | Confident | 94.5 | Very high | 14 Ų | 14 | 12 Ų | 12 | 9% | 0.091 | 8% | 0.08 | C | C | . | . | P | Polyproline II helix | trans | -52.9 | 150.1 | 176.7 | -28.7 | 37.9 | 0 | 0 | 0 | 114.3 | W296 R361 G394 Q395 | W296-P392 HydrophobicContact CG-CG 4.49Å; R361-P392 VanDerWaalsContact NH1-C 3.28Å; R361-P392 PolarHBondContact NH1-O 3.04Å; P392-G394 PolarHBondContact O-N 2.91Å; P392-Q395 HydrophobicContact CB-CB 4.42Å; P392-Q395 WeakPolarHBondContact O-CB 3.48Å; P392-Q395 PolarHBondContact O-N 2.98Å |
| 393 | A | 82.7 | Confident | 94.5 | Very high | 38 Ų | 38 | 11.8 Ų | 11.8 | 31% | 0.314 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 132.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L292 Q395 | L292-A393 PolarHBondContact O-N 3.43Å; A393-Q395 PolarHBondContact O-N 2.9Å |
| 394 | G | 86.9 | Confident | 94.4 | Very high | 47 Ų | 47 | 11.9 Ų | 11.9 | 49% | 0.485 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -22.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q331 P392 | Q331-G394 PolarHBondContact NE2-O 3.44Å; P392-G394 PolarHBondContact O-N 2.91Å |
| 395 | Q | 90.4 | Very high | 94.1 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 6% | 0.061 | 10% | 0.096 | C | C | . | . | trans | -85 | 115.1 | 176.3 | -169.9 | 176.1 | -20.9 | 0 | 0 | 110 | N319 L321 P392 A393 L397 | N319-Q395 HydrophobicContact CB-CG 4.48Å; L321-Q395 HydrophobicContact CD1-CB 4.26Å; L321-Q395 HydrophobicContact CD1-CG 4.35Å; L321-Q395 HydrophobicContact CD2-CB 3.84Å; L321-Q395 HydrophobicContact CD2-CG 4.46Å; L321-Q395 HydrophobicContact CG-CB 4.1Å; L321-Q395 HydrophobicContact CG-CG 4.2Å; P392-Q395 HydrophobicContact CB-CB 4.42Å; P392-Q395 WeakPolarHBondContact O-CB 3.48Å; P392-Q395 PolarHBondContact O-N 2.98Å; A393-Q395 PolarHBondContact O-N 2.9Å; Q395-L397 VanDerWaalsContact CG-O 3.23Å; Q395-L397 WeakPolarHBondContact CG-O 3.38Å; Q395-L397 PolarHBondContact NE2-O 3.18Å | ||
| 396 | L | 95.6 | Very high | 93.6 | Very high | 33 Ų | 33 | 17.6 Ų | 17.6 | 17% | 0.173 | 11% | 0.106 | C | C | . | . | trans | -91.5 | -22.8 | 179.9 | -62 | -175.2 | 0 | 0 | 0 | 113.2 | L326 I328 Q331 R361 | L326-L396 WeakPolarHBondContact O-CD1 3.31Å; I328-L396 HydrophobicContact CB-CD1 4.3Å; I328-L396 HydrophobicContact CD1-CB 3.69Å; Q331-L396 HydrophobicContact CG-CD1 4.42Å; R361-L396 HydrophobicContact CB-CD2 4.41Å; R361-L396 PolarHBondContact N-O 2.91Å | ||
| 397 | L | 96.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.6 | 176.5 | 72.8 | 101.8 | 0 | 0 | 0 | 112.8 | I328 Q331 T332 A335 L358 Y359 L369 Q395 | I328-L397 HydrophobicContact CD1-CB 4.28Å; I328-L397 HydrophobicContact CD1-CD2 3.93Å; Q331-L397 HydrophobicContact CB-CD2 4.02Å; T332-L397 VanDerWaalsContact OG1-CD2 3.32Å; T332-L397 WeakPolarHBondContact OG1-CD2 3.22Å; A335-L397 HydrophobicContact CB-CD1 3.76Å; L358-L397 HydrophobicContact CD1-CB 4.45Å; L358-L397 HydrophobicContact CD1-CD1 4.15Å; Y359-L397 CarbonylContact O-C 3.49Å; Y359-L397 WeakPolarHBondContact O-CA 3.21Å; L369-L397 HydrophobicContact CD1-CD2 4.35Å; Q395-L397 VanDerWaalsContact CG-O 3.23Å; Q395-L397 WeakPolarHBondContact CG-O 3.38Å; Q395-L397 PolarHBondContact NE2-O 3.18Å |
| 398 | Q | 95.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.4 | 167.4 | -171.5 | 174.2 | -75.1 | 0 | 0 | 108.9 | L358 Y359 L391 L673 | L358-Q398 WeakPolarHBondContact CA-O 3.41Å; Y359-Q398 HydrophobicContact CD2-CB 4.44Å; Y359-Q398 PolarHBondContact N-O 2.97Å; Y359-Q398 PolarHBondContact O-N 2.86Å; L391-Q398 HydrophobicContact CD1-CB 4.44Å; L391-Q398 HydrophobicContact CD2-CB 4.18Å; Q398-L673 PolarHBondContact NE2-O 3.46Å |
| 399 | M | 95.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.7 | 179.9 | -176.5 | 174.2 | 58.4 | 0 | 0 | 111.2 | I318 L336 L339 V356 H357 L358 | I318-M399 HydrophobicContact CB-CB 4.13Å; I318-M399 HydrophobicContact CB-CE 4.11Å; I318-M399 WeakPolarHBondContact CB-O 3.21Å; I318-M399 HydrophobicContact CG2-CB 4.45Å; I318-M399 HydrophobicContact CG2-CE 3.53Å; I318-M399 PolarHBondContact N-O 2.93Å; I318-M399 PolarHBondContact O-N 3.15Å; L336-M399 HydrophobicContact CD2-CE 4.12Å; L339-M399 HydrophobicContact CB-CE 4.16Å; L339-M399 HydrophobicContact CD2-CE 3.62Å; L339-M399 HydrophobicContact CD2-SD 4.42Å; L339-M399 HydrophobicContact CG-CE 4.47Å; V356-M399 HydrophobicContact CG1-CG 3.7Å; V356-M399 HydrophobicContact CG1-SD 3.88Å; H357-M399 WeakPolarHBondContact O-CA 3.32Å; L358-M399 HydrophobicContact CD1-CB 4.1Å; L358-M399 HydrophobicContact CD1-CG 4.48Å |
| 400 | D | 95.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.5 | 168.1 | 60.5 | 95.3 | 0 | 0 | 0 | 109.8 | W314 I315 V356 H357 R639 | W314-D400 WeakPolarHBondContact CZ2-OD1 3.33Å; W314-D400 PolarHBondContact NE1-OD1 3.44Å; I315-D400 CarbonylContact O-C 3.52Å; I315-D400 VanDerWaalsContact O-CA 3.27Å; I315-D400 WeakPolarHBondContact O-CA 3.4Å; I315-D400 WeakPolarHBondContact O-CB 3.27Å; V356-D400 WeakPolarHBondContact CA-O 3.39Å; H357-D400 IonicContact CD2-OD1 2.68Å; H357-D400 IonicContact CG-OD1 3.56Å; H357-D400 PolarHBondContact N-O 3.38Å; H357-D400 PolarHBondContact O-N 3Å; D400-R639 IonicContact OD1-CZ 2.72Å; D400-R639 IonicContact OD1-NH2 3.25Å; D400-R639 PolarHBondContact OD1-NH2 3.05Å |
| 401 | C | 97.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141 | -171.1 | 62 | 0 | 0 | 0 | 0 | 113.3 | W314 I315 I353 L355 V356 | W314-C401 WeakPolarHBondContact CA-O 3.49Å; I315-C401 PolarHBondContact N-O 2.72Å; I315-C401 PolarHBondContact O-N 3.04Å; I353-C401 HydrophobicContact CG2-CB 3.94Å; L355-C401 CarbonylContact O-C 3.52Å; L355-C401 VanDerWaalsContact O-CA 3.26Å; L355-C401 WeakPolarHBondContact O-CA 3.4Å; V356-C401 HydrophobicContact CG2-CB 4.18Å |
| 402 | L | 97.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.9 | 168.2 | -177.6 | 60.6 | 0 | 0 | 0 | 109.5 | Y312 W314 I353 V354 L355 F448 W690 | Y312-L402 HydrophobicContact CD1-CD1 3.95Å; Y312-L402 HydrophobicContact CD1-CD2 4.15Å; Y312-L402 HydrophobicContact CD1-CG 4.18Å; Y312-L402 HydrophobicContact CE1-CD2 4.44Å; Y312-L402 HydrophobicContact CG-CD1 4.49Å; W314-L402 HydrophobicContact CD2-CB 4.35Å; W314-L402 HydrophobicContact CD2-CD1 4.47Å; W314-L402 HydrophobicContact CE3-CB 3.79Å; W314-L402 HydrophobicContact CE3-CD1 3.59Å; W314-L402 HydrophobicContact CE3-CG 4.15Å; W314-L402 HydrophobicContact CH2-CB 3.99Å; W314-L402 HydrophobicContact CZ3-CB 3.61Å; W314-L402 HydrophobicContact CZ3-CD1 3.97Å; W314-L402 HydrophobicContact CZ3-CD2 4.08Å; W314-L402 HydrophobicContact CZ3-CG 4.09Å; I353-L402 WeakPolarHBondContact CA-O 3.28Å; V354-L402 HydrophobicContact CG2-CB 3.95Å; V354-L402 HydrophobicContact CG2-CD2 3.68Å; V354-L402 HydrophobicContact CG2-CG 3.61Å; V354-L402 WeakPolarHBondContact CG2-O 3.31Å; V354-L402 PolarHBondContact N-O 3.25Å; L355-L402 HydrophobicContact CB-CB 4Å; L355-L402 HydrophobicContact CB-CD2 4.48Å; L355-L402 PolarHBondContact O-N 3.19Å; L402-F448 HydrophobicContact CD2-CD1 3.97Å; L402-F448 HydrophobicContact CD2-CE1 3.47Å; L402-F448 VanDerWaalsContact CD2-CE1 3.47Å; L402-F448 HydrophobicContact CD2-CE2 4.14Å; L402-F448 HydrophobicContact CD2-CG 4.48Å; L402-F448 HydrophobicContact CD2-CZ 3.58Å; L402-W690 HydrophobicContact CD1-CZ3 4.12Å; L402-W690 HydrophobicContact CD2-CZ3 4.17Å |
| 403 | L | 97.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 150.5 | 175.3 | -49.7 | 178.7 | 0 | 0 | 0 | 109.6 | Y312 Q313 I315 L343 W348 D352 I353 | Y312-L403 WeakPolarHBondContact CA-O 3.44Å; Q313-L403 PolarHBondContact N-O 3.23Å; Q313-L403 VanDerWaalsContact N-O 3.08Å; Q313-L403 WeakPolarHBondContact O-CB 3.32Å; Q313-L403 PolarHBondContact O-N 2.95Å; I315-L403 HydrophobicContact CD1-CD1 3.63Å; I315-L403 HydrophobicContact CG1-CD1 3.93Å; L343-L403 HydrophobicContact CD2-CD1 3.58Å; L343-L403 HydrophobicContact CD2-CD2 3.7Å; L343-L403 HydrophobicContact CD2-CG 4.3Å; W348-L403 HydrophobicContact CB-CD1 4.24Å; W348-L403 HydrophobicContact CD2-CB 4.27Å; W348-L403 HydrophobicContact CD2-CD1 3.77Å; W348-L403 HydrophobicContact CE3-CB 4.2Å; W348-L403 HydrophobicContact CE3-CD1 4.43Å; W348-L403 HydrophobicContact CG-CD1 3.65Å; W348-L403 HydrophobicContact CH2-CB 4.19Å; W348-L403 HydrophobicContact CZ2-CB 4.27Å; W348-L403 HydrophobicContact CZ3-CB 4.13Å; D352-L403 WeakPolarHBondContact O-CA 3.44Å; I353-L403 HydrophobicContact CB-CD2 4.16Å; I353-L403 HydrophobicContact CG1-CD2 3.36Å |
| 404 | H | 96 | Very high | 84.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 129.9 | 171.4 | 179.8 | -86.5 | 0 | 0 | 0 | 111.9 | R310 Y312 D352 V354 W406 V443 | R310-H404 PolarHBondContact O-NE2 3.39Å; Y312-H404 HydrophobicContact CD1-CB 3.87Å; Y312-H404 AromaticContact CD1-CD2 3.53Å; Y312-H404 AromaticContact CD2-CD2 3.85Å; Y312-H404 HydrophobicContact CE1-CB 3.91Å; Y312-H404 AromaticContact CE1-CD2 3.34Å; Y312-H404 WeakPolarHBondContact CE1-CD2 3.48Å; Y312-H404 AromaticContact CE1-CG 3.83Å; Y312-H404 AromaticContact CE2-CD2 3.65Å; Y312-H404 AromaticContact CG-CD2 3.79Å; Y312-H404 AromaticContact CZ-CD2 3.39Å; Y312-H404 AromaticContact CZ-NE2 3.97Å; D352-H404 PolarHBondContact O-N 3.06Å; V354-H404 HydrophobicContact CG1-CB 3.91Å; V354-H404 HydrophobicContact CG2-CB 4.45Å; H404-W406 AromaticContact CE1-CD1 3.76Å; H404-W406 AromaticContact CE1-CD2 3.59Å; H404-W406 AromaticContact CE1-CE2 3.48Å; H404-W406 VanDerWaalsContact CE1-CE2 3.48Å; H404-W406 AromaticContact CE1-CG 3.82Å; H404-W406 AromaticContact CE1-NE1 3.55Å; H404-V443 WeakPolarHBondContact CE1-CG1 3.22Å; H404-V443 WeakPolarHBondContact ND1-CG1 3.32Å; H404-V443 WeakPolarHBondContact NE2-CG1 3.3Å |
| 405 | D | 92.3 | Very high | 83.8 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | trans | -149.5 | 140.9 | 164.1 | 172.7 | 46.7 | 0 | 0 | 0 | 107.8 | R307 G311 W348 T407 | R307-D405 PolarHBondContact NH2-O 2.9Å; R307-D405 IonicContact NH2-OD2 2.83Å; R307-D405 PolarHBondContact NH2-OD2 2.87Å; G311-D405 WeakPolarHBondContact CA-O 3.5Å; G311-D405 PolarHBondContact O-N 3.08Å; W348-D405 HydrophobicContact CE3-CB 4.34Å; W348-D405 HydrophobicContact CH2-CB 3.88Å; W348-D405 HydrophobicContact CZ3-CB 3.36Å; D405-T407 PolarHBondContact O-N 2.85Å | ||
| 406 | W | 87.8 | Confident | 83.2 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | trans | -73.4 | 126.2 | -175.9 | -61.2 | -92.2 | 0 | 0 | 0 | 110.5 | H404 R416 R418 D444 | H404-W406 AromaticContact CE1-CD1 3.76Å; H404-W406 AromaticContact CE1-CD2 3.59Å; H404-W406 AromaticContact CE1-CE2 3.48Å; H404-W406 VanDerWaalsContact CE1-CE2 3.48Å; H404-W406 AromaticContact CE1-CG 3.82Å; H404-W406 AromaticContact CE1-NE1 3.55Å; W406-R416 VanDerWaalsContact CB-CZ 3.42Å; W406-R416 VanDerWaalsContact CD1-CD 3.42Å; W406-R416 HydrophobicContact CD2-CB 4.43Å; W406-R416 VanDerWaalsContact CD2-CD 3.47Å; W406-R416 HydrophobicContact CD2-CG 4.32Å; W406-R416 VanDerWaalsContact CE2-CD 3.47Å; W406-R416 VanDerWaalsContact CG-CD 3.43Å; W406-R416 HydrophobicContact CG-CG 4.46Å; W406-R416 HydrophobicContact CH2-CB 3.98Å; W406-R416 HydrophobicContact CZ2-CB 3.55Å; W406-R416 HydrophobicContact CZ2-CG 4.12Å; W406-R418 HydrophobicContact CH2-CB 3.26Å; W406-R418 HydrophobicContact CH2-CG 4.26Å; W406-R418 HydrophobicContact CZ2-CB 3.85Å; W406-R418 HydrophobicContact CZ3-CB 4.11Å; W406-D444 PolarHBondContact NE1-OD2 2.73Å | ||
| 407 | T | 76.6 | Confident | 82.5 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | trans | -77.6 | -33.6 | -179.2 | 40.6 | 0 | 0 | 0 | 0 | 112.7 | R307 S309 D405 | R307-T407 HydrophobicContact CG-CG2 4.38Å; R307-T407 VanDerWaalsContact NE-CG2 3.32Å; S309-T407 PolarHBondContact O-OG1 2.96Å; D405-T407 PolarHBondContact O-N 2.85Å | ||
| 408 | E | 71.4 | Confident | 82.2 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -94.7 | 153.7 | -176.1 | -63.7 | -171.3 | 166.8 | 0 | 0 | 111.7 | R416 | E408-R416 PolarHBondContact O-NH1 2.86Å; E408-R416 PolarHBondContact O-NH2 3.2Å |
| 409 | P | 68.8 | Low | 82 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 73% | 0.734 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 153.7 | 168.2 | 12.3 | -8.5 | 0 | 0 | 0 | 111.2 | E411 R416 | P409-E411 PolarHBondContact O-N 3.01Å; P409-R416 PolarHBondContact O-NH2 2.99Å; P409-R416 VanDerWaalsContact O-NH2 3.13Å |
| 410 | L | 71.5 | Confident | 81.8 | Confident | 102 Ų | 102 | 69 Ų | 69 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 127.7 | 173.4 | -134.8 | 96.7 | 0 | 0 | 0 | 109.2 | C414 R416 | L410-C414 WeakPolarHBondContact CD2-O 3.39Å; L410-R416 HydrophobicContact CD1-CB 4.03Å; L410-R416 HydrophobicContact CD1-CG 3.6Å; L410-R416 HydrophobicContact CG-CG 4.49Å |
| 411 | E | 72.3 | Confident | 81.6 | Confident | 140 Ų | 140 | 69.3 Ų | 69.3 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 149.1 | 166 | -67.2 | -170.2 | 168 | 0 | 0 | 110.5 | P409 G413 C414 | P409-E411 PolarHBondContact O-N 3.01Å; E411-G413 PolarHBondContact O-N 3.38Å; E411-C414 HydrophobicContact CB-CB 4.48Å; E411-C414 PolarHBondContact O-N 2.84Å; E411-C414 VanDerWaalsContact O-N 3.15Å |
| 412 | E | 65.7 | Low | 81.4 | Confident | 206 Ų | 206 | 70.2 Ų | 70.2 | 96% | 0.963 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 117.1 | -177.5 | -164.5 | 166.9 | -160.5 | 0 | 0 | 110.3 | ||
| 413 | G | 63.4 | Low | 81 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 68% | 0.68 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -3.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E411 | E411-G413 PolarHBondContact O-N 3.38Š|
| 414 | C | 65.3 | Low | 80.7 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 43% | 0.432 | 37% | 0.373 | S | S | . | . | trans | -87.8 | 139.9 | 172.4 | -68 | 0 | 0 | 0 | 0 | 111.4 | L410 E411 | L410-C414 WeakPolarHBondContact CD2-O 3.39Å; E411-C414 HydrophobicContact CB-CB 4.48Å; E411-C414 PolarHBondContact O-N 2.84Å; E411-C414 VanDerWaalsContact O-N 3.15Å | ||
| 415 | F | 68.1 | Low | 80.6 | Confident | 169 Ų | 169 | 72.4 Ų | 72.4 | 74% | 0.741 | 37% | 0.372 | S | S | * | . | trans | -108.6 | 128.8 | 172.9 | -61.9 | -84.3 | 0 | 0 | 0 | 109.5 | ||||
| 416 | R | 77.6 | Confident | 80.7 | Confident | 76 Ų | 76 | 70 Ų | 70 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | trans | -97.6 | 131 | 174.7 | -78.8 | -177.7 | -177.3 | 168.8 | -0.9 | 109.8 | W406 E408 P409 L410 D444 | W406-R416 VanDerWaalsContact CB-CZ 3.42Å; W406-R416 VanDerWaalsContact CD1-CD 3.42Å; W406-R416 HydrophobicContact CD2-CB 4.43Å; W406-R416 VanDerWaalsContact CD2-CD 3.47Å; W406-R416 HydrophobicContact CD2-CG 4.32Å; W406-R416 VanDerWaalsContact CE2-CD 3.47Å; W406-R416 VanDerWaalsContact CG-CD 3.43Å; W406-R416 HydrophobicContact CG-CG 4.46Å; W406-R416 HydrophobicContact CH2-CB 3.98Å; W406-R416 HydrophobicContact CZ2-CB 3.55Å; W406-R416 HydrophobicContact CZ2-CG 4.12Å; E408-R416 PolarHBondContact O-NH1 2.86Å; E408-R416 PolarHBondContact O-NH2 3.2Å; P409-R416 PolarHBondContact O-NH2 2.99Å; P409-R416 VanDerWaalsContact O-NH2 3.13Å; L410-R416 HydrophobicContact CD1-CB 4.03Å; L410-R416 HydrophobicContact CD1-CG 3.6Å; L410-R416 HydrophobicContact CG-CG 4.49Å; R416-D444 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 417 | H | 81.4 | Confident | 81 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | trans | -119.3 | 118.2 | -177.7 | -68.2 | -77.9 | 0 | 0 | 0 | 110.2 | V443 D444 | H417-V443 CarbonylContact O-C 3.56Å; H417-V443 VanDerWaalsContact O-CA 3.31Å; H417-V443 WeakPolarHBondContact O-CA 3.33Å; H417-D444 PolarHBondContact N-OD1 3.46Å; H417-D444 PolarHBondContact O-N 2.92Å | ||
| 418 | R | 89.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 104.4 | 173 | -177.8 | 177.5 | -175.4 | -90.1 | -3.5 | 109.6 | K351 D352 I353 V354 W406 F441 K442 V443 | K351-R418 VanDerWaalsContact O-CZ 3.22Å; K351-R418 PolarHBondContact O-NH1 2.84Å; K351-R418 PolarHBondContact O-NH2 3.02Å; D352-R418 VanDerWaalsContact CA-NH2 3.31Å; D352-R418 PolarHBondContact O-NH2 2.87Å; D352-R418 VanDerWaalsContact O-NH2 3.08Å; I353-R418 PolarHBondContact O-NH2 3.37Å; V354-R418 VanDerWaalsContact CG1-NH2 3.31Å; W406-R418 HydrophobicContact CH2-CB 3.26Å; W406-R418 HydrophobicContact CH2-CG 4.26Å; W406-R418 HydrophobicContact CZ2-CB 3.85Å; W406-R418 HydrophobicContact CZ3-CB 4.11Å; R418-F441 HydrophobicContact CG-CE1 3.59Å; R418-F441 HydrophobicContact CG-CZ 4.28Å; R418-K442 WeakPolarHBondContact CA-O 3.29Å; R418-V443 HydrophobicContact CG-CG2 4.4Å |
| 419 | E | 89.8 | Confident | 82.6 | Confident | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.4 | -162.2 | -57.6 | 178.6 | 126.4 | 0 | 0 | 111.3 | R79 F441 K442 | R79-E419 WeakPolarHBondContact CD-OE1 3.34Å; R79-E419 IonicContact CZ-OE1 2.95Å; R79-E419 IonicContact CZ-OE2 3.68Å; R79-E419 IonicContact NH1-OE1 2.75Å; R79-E419 PolarHBondContact NH1-OE1 2.89Å; R79-E419 IonicContact NH1-OE2 3.04Å; R79-E419 PolarHBondContact NH1-OE2 3.38Å; E419-F441 CarbonylContact O-C 3.56Å; E419-K442 PolarHBondContact N-O 2.81Å; E419-K442 PolarHBondContact O-N 2.85Å |
| 420 | A | 92.2 | Very high | 83.6 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N380 F441 | N380-A420 HydrophobicContact CB-CB 3.73Å; A420-F441 HydrophobicContact CB-CD2 3.84Å; A420-F441 HydrophobicContact CB-CE2 3.8Å |
| 421 | L | 92.8 | Very high | 84.7 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 98.8 | 161.7 | 178.4 | 71.3 | 0 | 0 | 0 | 107.6 | V423 W429 S438 Q439 A440 V481 A484 V485 | L421-V423 HydrophobicContact CD1-CG2 4.22Å; L421-V423 HydrophobicContact CG-CG2 4.16Å; L421-W429 HydrophobicContact CD1-CH2 4.44Å; L421-W429 HydrophobicContact CD2-CH2 4.11Å; L421-S438 CarbonylContact O-C 3.58Å; L421-S438 WeakPolarHBondContact O-CB 3.3Å; L421-Q439 HydrophobicContact CD2-CB 4.2Å; L421-Q439 HydrophobicContact CG-CB 4.42Å; L421-Q439 PolarHBondContact O-N 3.17Å; L421-Q439 PolarHBondContact O-OE1 3.35Å; L421-Q439 VanDerWaalsContact O-OE1 3.04Å; L421-A440 HydrophobicContact CB-CB 4.43Å; L421-A440 PolarHBondContact N-O 3.46Å; L421-A440 PolarHBondContact O-N 3.41Å; L421-V481 HydrophobicContact CD2-CG1 4.04Å; L421-V481 HydrophobicContact CD2-CG2 4.45Å; L421-A484 HydrophobicContact CD2-CB 3.86Å; L421-V485 HydrophobicContact CB-CG2 3.98Å; L421-V485 HydrophobicContact CD2-CG2 3.92Å |
| 422 | H | 91.4 | Very high | 85.7 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | trans | -111 | 116.5 | 177.6 | -168.5 | 47.2 | 0 | 0 | 0 | 109.6 | R119 Q424 N433 Y437 | R119-H422 PolarHBondContact NH1-O 3.18Å; H422-Q424 WeakPolarHBondContact NE2-CG 3.48Å; H422-N433 PolarHBondContact ND1-OD1 3.16Å; H422-Y437 PolarHBondContact CE1-O 3.13Å; H422-Y437 PolarHBondContact ND1-O 3.11Å | ||
| 423 | V | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -117.2 | 110.3 | -176 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | L421 W429 A432 N433 Q439 | L421-V423 HydrophobicContact CD1-CG2 4.22Å; L421-V423 HydrophobicContact CG-CG2 4.16Å; V423-W429 HydrophobicContact CG1-CZ3 4.46Å; V423-W429 HydrophobicContact CG2-CH2 4.25Å; V423-W429 HydrophobicContact CG2-CZ3 3.84Å; V423-A432 WeakPolarHBondContact O-CA 3.24Å; V423-N433 PolarHBondContact N-OD1 3.49Å; V423-N433 PolarHBondContact O-N 2.91Å; V423-N433 PolarHBondContact O-OD1 2.99Å; V423-Q439 HydrophobicContact CG2-CG 4.37Å; V423-Q439 PolarHBondContact O-NE2 3.25Å | ||
| 424 | Q | 91.1 | Very high | 88.3 | Confident | 46 Ų | 46 | 33.8 Ų | 33.8 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | trans | -106.9 | -19.2 | -179.5 | -59.8 | 171.8 | 89.9 | 0 | 0 | 112.4 | E123 Q132 H422 | E123-Q424 HydrophobicContact CG-CB 4.14Å; E123-Q424 PolarHBondContact OE1-N 3.19Å; E123-Q424 VanDerWaalsContact OE1-N 3.1Å; E123-Q424 WeakPolarHBondContact OE2-CB 3.46Å; E123-Q424 PolarHBondContact OE2-N 3.03Å; E123-Q424 PolarHBondContact OE2-NE2 3.34Å; E123-Q424 VanDerWaalsContact OE2-NE2 3.1Å; Q132-Q424 PolarHBondContact NE2-O 3.24Å; H422-Q424 WeakPolarHBondContact NE2-CG 3.48Å | ||
| 425 | S | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -74.2 | 140.3 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | E123 P133 | E123-S425 PolarHBondContact OE1-N 3.38Å; E123-S425 PolarHBondContact OE1-OG 3.21Å; P133-S425 WeakPolarHBondContact O-CA 3.42Å |
| 426 | L | 95 | Very high | 90.7 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 9% | 0.094 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 131.3 | 162.6 | -62.9 | -172.6 | 0 | 0 | 0 | 109.1 | Q132 P133 L134 A135 A432 M460 | Q132-L426 HydrophobicContact CG-CD1 4.28Å; Q132-L426 HydrophobicContact CG-CG 4.22Å; P133-L426 PolarHBondContact O-N 2.81Å; L134-L426 HydrophobicContact CD2-CB 3.94Å; L134-L426 HydrophobicContact CD2-CD1 3.69Å; L134-L426 HydrophobicContact CD2-CG 4.04Å; A135-L426 CarbonylContact C-O 3.58Å; A135-L426 VanDerWaalsContact C-O 3.27Å; A135-L426 PolarHBondContact N-O 2.87Å; L426-A432 HydrophobicContact CD2-CB 4.33Å; L426-M460 HydrophobicContact CD2-CG 3.33Å; L426-M460 HydrophobicContact CD2-SD 4.03Å |
| 427 | S | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -144.3 | 172.5 | -176.8 | 78.8 | 0 | 0 | 0 | 0 | 111.6 | A135 W429 A430 P457 C458 | A135-S427 WeakPolarHBondContact O-CA 3.47Å; A135-S427 VanDerWaalsContact O-CB 3.22Å; A135-S427 WeakPolarHBondContact O-CB 3.38Å; S427-W429 PolarHBondContact OG-N 2.97Å; S427-A430 PolarHBondContact OG-N 3.21Å; S427-A430 PolarHBondContact OG-O 3.38Å; S427-P457 CarbonylContact O-C 3.58Å; S427-P457 WeakPolarHBondContact O-CB 3.48Å; S427-C458 WeakPolarHBondContact O-CA 3.4Å; S427-C458 PolarHBondContact O-N 2.89Å; S427-C458 VanDerWaalsContact O-N 3.15Å | ||
| 428 | H | 92.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -90.2 | -9.3 | 168.1 | -71.4 | -55.9 | 0 | 0 | 0 | 113.5 | Q19 Y136 R140 P261 C262 C458 | Q19-H428 PolarHBondContact OE1-NE2 3.13Å; Y136-H428 AromaticContact CD1-CD2 3.96Å; Y136-H428 AromaticContact CD1-CE1 3.85Å; Y136-H428 AromaticContact CD1-NE2 3.67Å; Y136-H428 PolarHBondContact O-CD2 3.38Å; Y136-H428 VanDerWaalsContact O-CD2 3.26Å; Y136-H428 PolarHBondContact O-N 3.42Å; R140-H428 HydrophobicContact CG-CB 4.46Å; P261-H428 HydrophobicContact CB-CB 4.43Å; C262-H428 PolarHBondContact SG-ND1 3.09Å; C262-H428 PolarHBondContact SG-O 2.89Å; H428-C458 WeakPolarHBondContact ND1-CB 3.45Å |
| 429 | W | 89.8 | Confident | 92.5 | Very high | 18 Ų | 18 | 14.2 Ų | 14.2 | 7% | 0.068 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -83.3 | -62.9 | -174.8 | 161.5 | 64.6 | 0 | 0 | 0 | 112.3 | W138 R139 L421 V423 S427 K480 A484 | W138-W429 AromaticContact CD1-CE3 3.73Å; W138-W429 AromaticContact NE1-CE3 3.92Å; W138-W429 AromaticContact NE1-CZ3 3.78Å; W138-W429 WeakPolarHBondContact O-CB 3.22Å; R139-W429 HydrophobicContact CB-CB 3.99Å; R139-W429 HydrophobicContact CB-CD2 3.63Å; R139-W429 HydrophobicContact CB-CE3 4.03Å; R139-W429 HydrophobicContact CB-CG 3.57Å; R139-W429 HydrophobicContact CG-CD2 4.19Å; R139-W429 HydrophobicContact CG-CE3 4.22Å; L421-W429 HydrophobicContact CD1-CH2 4.44Å; L421-W429 HydrophobicContact CD2-CH2 4.11Å; V423-W429 HydrophobicContact CG1-CZ3 4.46Å; V423-W429 HydrophobicContact CG2-CH2 4.25Å; V423-W429 HydrophobicContact CG2-CZ3 3.84Å; S427-W429 PolarHBondContact OG-N 2.97Å; W429-K480 VanDerWaalsContact O-CD 3.3Å; W429-K480 WeakPolarHBondContact O-CD 3.45Å; W429-K480 PolarHBondContact O-NZ 3.01Å; W429-A484 HydrophobicContact CH2-CB 3.7Å; W429-A484 HydrophobicContact CZ2-CB 3.4Å |
| 430 | A | 89.9 | Confident | 92.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -140.1 | 151.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S427 | S427-A430 PolarHBondContact OG-N 3.21Å; S427-A430 PolarHBondContact OG-O 3.38Å |
| 431 | P | 93.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 12 Ų | 12 | 4% | 0.039 | 6% | 0.061 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 141.4 | 179.5 | 28.5 | -34 | 0 | 0 | 0 | 111.6 | Q439 L455 M460 | P431-Q439 PolarHBondContact O-NE2 3.17Å; P431-Q439 VanDerWaalsContact O-NE2 3.16Å; P431-L455 HydrophobicContact CB-CB 3.9Å; P431-L455 HydrophobicContact CB-CD1 4.36Å; P431-M460 HydrophobicContact CB-CE 4.18Å; P431-M460 HydrophobicContact CB-SD 3.95Å |
| 432 | A | 93.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 6% | 0.058 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 157.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | V423 L426 I434 M460 | V423-A432 WeakPolarHBondContact O-CA 3.24Å; L426-A432 HydrophobicContact CD2-CB 4.33Å; A432-I434 PolarHBondContact O-N 2.98Å; A432-M460 HydrophobicContact CB-CE 4.06Å; A432-M460 HydrophobicContact CB-SD 4.14Å; A432-M460 PolarHBondContact N-SD 2.83Å; A432-M460 VanDerWaalsContact N-SD 3.45Å; A432-M460 WeakPolarHBondContact O-CE 3.27Å |
| 433 | N | 92.2 | Very high | 93.4 | Very high | 25 Ų | 25 | 12.4 Ų | 12.4 | 13% | 0.134 | 6% | 0.062 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 134.2 | 176.2 | -58.2 | 88.8 | 0 | 0 | 0 | 110.8 | H422 V423 G435 Y437 Q439 | H422-N433 PolarHBondContact ND1-OD1 3.16Å; V423-N433 PolarHBondContact N-OD1 3.49Å; V423-N433 PolarHBondContact O-N 2.91Å; V423-N433 PolarHBondContact O-OD1 2.99Å; N433-G435 VanDerWaalsContact C-N 3.26Å; N433-G435 WeakPolarHBondContact CB-O 3.43Å; N433-G435 PolarHBondContact O-N 2.97Å; N433-Y437 HydrophobicContact CB-CE1 4.18Å; N433-Y437 HydrophobicContact CB-CE2 4.42Å; N433-Y437 VanDerWaalsContact ND2-CD2 3.27Å; N433-Y437 WeakPolarHBondContact ND2-CD2 3.39Å; N433-Y437 WeakPolarHBondContact ND2-CE2 3.32Å; N433-Y437 PolarHBondContact ND2-O 3.06Å; N433-Q439 VanDerWaalsContact ND2-CD 3.31Å; N433-Q439 PolarHBondContact ND2-NE2 3.26Å; N433-Q439 PolarHBondContact ND2-OE1 3.26Å; N433-Q439 PolarHBondContact OD1-NE2 3.12Å; N433-Q439 PolarHBondContact OD1-OE1 3.31Å |
| 434 | I | 92.6 | Very high | 93.5 | Very high | 38 Ų | 38 | 13.5 Ų | 13.5 | 20% | 0.195 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -87.7 | 5.8 | 173.1 | 59 | 163.4 | 0 | 0 | 0 | 113 | F366 A432 Y437 I453 L455 M460 P547 K548 | F366-I434 HydrophobicContact CE1-CD1 4.01Å; F366-I434 HydrophobicContact CE1-CG1 4.23Å; F366-I434 WeakPolarHBondContact CE1-O 3.34Å; F366-I434 HydrophobicContact CZ-CD1 3.83Å; F366-I434 HydrophobicContact CZ-CG1 3.99Å; A432-I434 PolarHBondContact O-N 2.98Å; I434-Y437 HydrophobicContact CG1-CE1 4.23Å; I434-I453 HydrophobicContact CD1-CD1 4Å; I434-L455 HydrophobicContact CG2-CD1 3.69Å; I434-M460 HydrophobicContact CG2-CE 3.7Å; I434-P547 HydrophobicContact CD1-CB 3.72Å; I434-K548 HydrophobicContact CD1-CG 4.14Å |
| 435 | G | 91.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 15 Ų | 15 | 8% | 0.082 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -164.7 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N433 Y437 | N433-G435 VanDerWaalsContact C-N 3.26Å; N433-G435 WeakPolarHBondContact CB-O 3.43Å; N433-G435 PolarHBondContact O-N 2.97Å; G435-Y437 VanDerWaalsContact C-N 3.28Å; G435-Y437 WeakPolarHBondContact O-CD1 3.38Å; G435-Y437 PolarHBondContact O-N 3.21Å |
| 436 | P | 92.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 5% | 0.052 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -75.8 | 72.4 | -178.8 | 32.8 | -36.9 | 0 | 0 | 0 | 112 | N370 Y373 R374 P381 | N370-P436 HydrophobicContact CB-CG 4.29Å; N370-P436 WeakPolarHBondContact OD1-CD 3.34Å; Y373-P436 HydrophobicContact CD1-CB 3.97Å; Y373-P436 HydrophobicContact CD1-CG 3.44Å; Y373-P436 VanDerWaalsContact CD1-CG 3.44Å; Y373-P436 HydrophobicContact CE1-CB 4.48Å; Y373-P436 HydrophobicContact CE1-CG 4.23Å; Y373-P436 WeakPolarHBondContact CE1-O 3.29Å; Y373-P436 HydrophobicContact CG-CG 4.16Å; R374-P436 HydrophobicContact CB-CB 3.99Å; R374-P436 HydrophobicContact CB-CG 4.17Å; R374-P436 HydrophobicContact CG-CB 4.27Å; P381-P436 WeakPolarHBondContact CB-O 3.36Å |
| 437 | Y | 95.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 14 Ų | 14 | 9% | 0.086 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -147.1 | 163.9 | 174.9 | 64.9 | -84.6 | 0 | 0 | 0 | 110.3 | P381 P382 R384 H422 N433 I434 G435 A450 | P381-Y437 VanDerWaalsContact CG-C 3.43Å; P382-Y437 WeakPolarHBondContact O-CA 3.31Å; R384-Y437 VanDerWaalsContact CB-CB 3.41Å; R384-Y437 HydrophobicContact CB-CD2 4.44Å; R384-Y437 HydrophobicContact CB-CG 3.97Å; H422-Y437 PolarHBondContact CE1-O 3.13Å; H422-Y437 PolarHBondContact ND1-O 3.11Å; N433-Y437 HydrophobicContact CB-CE1 4.18Å; N433-Y437 HydrophobicContact CB-CE2 4.42Å; N433-Y437 VanDerWaalsContact ND2-CD2 3.27Å; N433-Y437 WeakPolarHBondContact ND2-CD2 3.39Å; N433-Y437 WeakPolarHBondContact ND2-CE2 3.32Å; N433-Y437 PolarHBondContact ND2-O 3.06Å; I434-Y437 HydrophobicContact CG1-CE1 4.23Å; G435-Y437 VanDerWaalsContact C-N 3.28Å; G435-Y437 WeakPolarHBondContact O-CD1 3.38Å; G435-Y437 PolarHBondContact O-N 3.21Å; Y437-A450 HydrophobicContact CD2-CB 3.6Å; Y437-A450 HydrophobicContact CE2-CB 3.79Å |
| 438 | S | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | B | Isolated β-bridge | trans | -99.3 | 146.8 | 173.3 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | P381 P382 A383 L421 A440 A450 | P381-S438 WeakPolarHBondContact O-CB 3.32Å; P381-S438 PolarHBondContact O-N 3.02Å; P381-S438 PolarHBondContact O-OG 2.84Å; P382-S438 PolarHBondContact O-N 3.19Å; P382-S438 VanDerWaalsContact O-N 3.09Å; A383-S438 WeakPolarHBondContact CA-O 3.41Å; L421-S438 CarbonylContact O-C 3.58Å; L421-S438 WeakPolarHBondContact O-CB 3.3Å; S438-A440 PolarHBondContact O-N 3.45Å; S438-A450 WeakPolarHBondContact O-CB 3.34Å |
| 439 | Q | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -59 | -35.3 | 177.7 | -79 | 73.7 | 5.7 | 0 | 0 | 111.6 | L421 V423 P431 N433 C449 A450 V481 | L421-Q439 HydrophobicContact CD2-CB 4.2Å; L421-Q439 HydrophobicContact CG-CB 4.42Å; L421-Q439 PolarHBondContact O-N 3.17Å; L421-Q439 PolarHBondContact O-OE1 3.35Å; L421-Q439 VanDerWaalsContact O-OE1 3.04Å; V423-Q439 HydrophobicContact CG2-CG 4.37Å; V423-Q439 PolarHBondContact O-NE2 3.25Å; P431-Q439 PolarHBondContact O-NE2 3.17Å; P431-Q439 VanDerWaalsContact O-NE2 3.16Å; N433-Q439 VanDerWaalsContact ND2-CD 3.31Å; N433-Q439 PolarHBondContact ND2-NE2 3.26Å; N433-Q439 PolarHBondContact ND2-OE1 3.26Å; N433-Q439 PolarHBondContact OD1-NE2 3.12Å; N433-Q439 PolarHBondContact OD1-OE1 3.31Å; Q439-C449 CarbonylContact O-C 3.45Å; Q439-A450 PolarHBondContact O-N 2.82Å; Q439-V481 HydrophobicContact CB-CG1 4.3Å; Q439-V481 HydrophobicContact CB-CG2 4.05Å; Q439-V481 HydrophobicContact CG-CG2 4.32Å |
| 440 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 163.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L421 S438 V447 F448 V481 V485 | L421-A440 HydrophobicContact CB-CB 4.43Å; L421-A440 PolarHBondContact N-O 3.46Å; L421-A440 PolarHBondContact O-N 3.41Å; S438-A440 PolarHBondContact O-N 3.45Å; A440-V447 HydrophobicContact CB-CG1 4.02Å; A440-F448 CarbonylContact C-O 3.54Å; A440-F448 WeakPolarHBondContact CA-O 3.4Å; A440-V481 HydrophobicContact CB-CG1 3.58Å; A440-V485 HydrophobicContact CB-CG2 3.77Å |
| 441 | F | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 4% | 0.039 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.1 | 173.3 | -145.3 | -73.4 | 0 | 0 | 0 | 109.3 | V354 A383 R418 E419 A420 V443 F448 | V354-F441 HydrophobicContact CB-CB 4.43Å; V354-F441 HydrophobicContact CB-CD1 3.8Å; V354-F441 HydrophobicContact CB-CE1 4.18Å; V354-F441 HydrophobicContact CB-CG 4.02Å; V354-F441 HydrophobicContact CG1-CD1 3.73Å; V354-F441 HydrophobicContact CG1-CE1 3.64Å; V354-F441 HydrophobicContact CG1-CG 4.39Å; V354-F441 HydrophobicContact CG1-CZ 4.23Å; V354-F441 WeakPolarHBondContact O-CB 3.41Å; A383-F441 HydrophobicContact CB-CB 4.19Å; R418-F441 HydrophobicContact CG-CE1 3.59Å; R418-F441 HydrophobicContact CG-CZ 4.28Å; E419-F441 CarbonylContact O-C 3.56Å; A420-F441 HydrophobicContact CB-CD2 3.84Å; A420-F441 HydrophobicContact CB-CE2 3.8Å; F441-V443 HydrophobicContact CD1-CG2 4.2Å; F441-F448 PolarHBondContact N-O 2.66Å; F441-F448 PolarHBondContact O-N 2.83Å |
| 442 | K | 95.9 | Very high | 95.2 | Very high | 34 Ų | 34 | 12.8 Ų | 12.8 | 15% | 0.148 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.7 | 176.8 | -173.7 | -178.8 | 172.2 | -178.8 | 0 | 110 | R418 E419 D444 L446 V447 V485 I486 | R418-K442 WeakPolarHBondContact CA-O 3.29Å; E419-K442 PolarHBondContact N-O 2.81Å; E419-K442 PolarHBondContact O-N 2.85Å; K442-D444 WeakPolarHBondContact CE-O 3.41Å; K442-L446 CarbonylContact C-O 3.57Å; K442-L446 WeakPolarHBondContact CA-O 3.5Å; K442-V447 HydrophobicContact CG-CG2 4.46Å; K442-V485 HydrophobicContact CB-CG1 3.57Å; K442-V485 HydrophobicContact CD-CG1 3.83Å; K442-V485 HydrophobicContact CG-CG1 3.91Å; K442-I486 HydrophobicContact CD-CD1 4.37Å; K442-I486 HydrophobicContact CD-CG1 4.19Å |
| 443 | V | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 103.8 | 166.7 | -176.3 | 0 | 0 | 0 | 0 | 108 | Y312 V354 H404 H417 R418 F441 E445 L446 F448 | Y312-V443 HydrophobicContact CE1-CB 4.45Å; Y312-V443 HydrophobicContact CE1-CG1 4.35Å; Y312-V443 HydrophobicContact CE1-CG2 4.49Å; Y312-V443 WeakPolarHBondContact OH-CB 3.23Å; Y312-V443 WeakPolarHBondContact OH-CG1 3.44Å; V354-V443 HydrophobicContact CG1-CG2 4.03Å; H404-V443 WeakPolarHBondContact CE1-CG1 3.22Å; H404-V443 WeakPolarHBondContact ND1-CG1 3.32Å; H404-V443 WeakPolarHBondContact NE2-CG1 3.3Å; H417-V443 CarbonylContact O-C 3.56Å; H417-V443 VanDerWaalsContact O-CA 3.31Å; H417-V443 WeakPolarHBondContact O-CA 3.33Å; R418-V443 HydrophobicContact CG-CG2 4.4Å; F441-V443 HydrophobicContact CD1-CG2 4.2Å; V443-E445 PolarHBondContact O-N 3.35Å; V443-E445 VanDerWaalsContact O-N 3.08Å; V443-L446 PolarHBondContact N-O 3.34Å; V443-L446 PolarHBondContact O-N 3.47Å; V443-F448 HydrophobicContact CG2-CE2 4.33Å |
| 444 | D | 91.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 11.6 Ų | 11.6 | 12% | 0.123 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | -110.4 | -172.8 | -54.3 | -39.5 | 0 | 0 | 0 | 110.8 | W406 R416 H417 K442 | W406-D444 PolarHBondContact NE1-OD2 2.73Å; R416-D444 WeakPolarHBondContact CA-OD1 3.29Å; H417-D444 PolarHBondContact N-OD1 3.46Å; H417-D444 PolarHBondContact O-N 2.92Å; K442-D444 WeakPolarHBondContact CE-O 3.41Å |
| 445 | E | 92.2 | Very high | 95.8 | Very high | 77 Ų | 77 | 10 Ų | 10 | 36% | 0.36 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.6 | 180 | -54.1 | -52.4 | 154 | 0 | 0 | 114 | V443 V559 N560 | V443-E445 PolarHBondContact O-N 3.35Å; V443-E445 VanDerWaalsContact O-N 3.08Å; E445-V559 HydrophobicContact CB-CG2 4.4Å; E445-V559 CarbonylContact O-C 3.59Å; E445-V559 WeakPolarHBondContact O-CA 3.34Å; E445-N560 HydrophobicContact CB-CB 4.15Å; E445-N560 PolarHBondContact O-N 2.69Å; E445-N560 WeakPolarHBondContact OE2-CB 3.49Å; E445-N560 PolarHBondContact OE2-ND2 3.44Å |
| 446 | L | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139.4 | -176.4 | -73.4 | 157.2 | 0 | 0 | 0 | 111.2 | Y312 K442 V443 F448 A558 V559 W690 | Y312-L446 HydrophobicContact CE2-CD1 3.92Å; Y312-L446 VanDerWaalsContact OH-CD1 3.24Å; Y312-L446 WeakPolarHBondContact OH-CD1 3.26Å; K442-L446 CarbonylContact C-O 3.57Å; K442-L446 WeakPolarHBondContact CA-O 3.5Å; V443-L446 PolarHBondContact N-O 3.34Å; V443-L446 PolarHBondContact O-N 3.47Å; L446-F448 HydrophobicContact CB-CE2 4Å; L446-F448 HydrophobicContact CB-CZ 4.12Å; L446-A558 WeakPolarHBondContact CA-O 3.35Å; L446-V559 HydrophobicContact CD2-CB 3.89Å; L446-V559 HydrophobicContact CD2-CG2 4.05Å; L446-V559 HydrophobicContact CG-CG2 4.46Å; L446-W690 HydrophobicContact CD1-CH2 4.11Å; L446-W690 HydrophobicContact CD1-CZ2 3.64Å; L446-W690 HydrophobicContact CD2-CZ2 4.12Å |
| 447 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.6 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | A440 K442 L482 V485 I486 L489 T557 A558 | A440-V447 HydrophobicContact CB-CG1 4.02Å; K442-V447 HydrophobicContact CG-CG2 4.46Å; V447-L482 HydrophobicContact CB-CD2 4.28Å; V447-L482 HydrophobicContact CG1-CD2 3.99Å; V447-V485 HydrophobicContact CB-CG1 4.43Å; V447-V485 HydrophobicContact CG1-CB 4.12Å; V447-V485 HydrophobicContact CG1-CG1 3.94Å; V447-V485 HydrophobicContact CG1-CG2 4.14Å; V447-V485 HydrophobicContact CG2-CB 4.26Å; V447-V485 HydrophobicContact CG2-CG1 3.59Å; V447-I486 HydrophobicContact CG2-CD1 4.01Å; V447-I486 HydrophobicContact CG2-CG1 4.36Å; V447-L489 HydrophobicContact CB-CD1 4.28Å; V447-L489 HydrophobicContact CG2-CD1 3.61Å; V447-T557 WeakPolarHBondContact O-CA 3.33Å; V447-A558 PolarHBondContact N-O 2.83Å; V447-A558 PolarHBondContact O-N 3.41Å |
| 448 | F | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 0% | 0.004 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 108.1 | 176.2 | -54.7 | -83.1 | 0 | 0 | 0 | 108.9 | Y312 V354 L355 A383 L402 A440 F441 V443 L446 T557 W690 | Y312-F448 AromaticContact CE1-CE2 3.93Å; Y312-F448 HydrophobicContact CE1-CE2 3.93Å; Y312-F448 AromaticContact CE1-CZ 3.84Å; Y312-F448 HydrophobicContact CE1-CZ 3.84Å; V354-F448 HydrophobicContact CG2-CD2 4.47Å; L355-F448 HydrophobicContact CB-CB 4.41Å; L355-F448 HydrophobicContact CD2-CB 4.41Å; L355-F448 HydrophobicContact CD2-CD1 4.18Å; A383-F448 WeakPolarHBondContact CB-O 3.25Å; L402-F448 HydrophobicContact CD2-CD1 3.97Å; L402-F448 HydrophobicContact CD2-CE1 3.47Å; L402-F448 VanDerWaalsContact CD2-CE1 3.47Å; L402-F448 HydrophobicContact CD2-CE2 4.14Å; L402-F448 HydrophobicContact CD2-CG 4.48Å; L402-F448 HydrophobicContact CD2-CZ 3.58Å; A440-F448 CarbonylContact C-O 3.54Å; A440-F448 WeakPolarHBondContact CA-O 3.4Å; F441-F448 PolarHBondContact N-O 2.66Å; F441-F448 PolarHBondContact O-N 2.83Å; V443-F448 HydrophobicContact CG2-CE2 4.33Å; L446-F448 HydrophobicContact CB-CE2 4Å; L446-F448 HydrophobicContact CB-CZ 4.12Å; F448-T557 HydrophobicContact CD1-CG2 3.73Å; F448-T557 HydrophobicContact CE1-CG2 3.62Å; F448-W690 HydrophobicContact CE1-CH2 4.39Å; F448-W690 HydrophobicContact CE1-CZ3 4.42Å; F448-W690 AromaticContact CZ-CH2 3.99Å; F448-W690 HydrophobicContact CZ-CH2 3.99Å; F448-W690 HydrophobicContact CZ-CZ2 4.3Å; F448-W690 HydrophobicContact CZ-CZ3 4.33Å |
| 449 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 145.9 | 179 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | Q439 H555 V556 | Q439-C449 CarbonylContact O-C 3.45Å; C449-H555 PolarHBondContact O-CE1 3.09Å; C449-H555 PolarHBondContact O-ND1 2.91Å; C449-V556 HydrophobicContact CB-CG2 3.85Å; C449-V556 PolarHBondContact N-O 3.01Å |
| 450 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 166.5 | 163 | 0 | 0 | 0 | 0 | 0 | 110.9 | A383 R384 Y437 S438 Q439 Q452 | A383-A450 HydrophobicContact CB-CB 4.41Å; R384-A450 WeakPolarHBondContact O-CA 3.29Å; R384-A450 WeakPolarHBondContact O-CB 3.5Å; Y437-A450 HydrophobicContact CD2-CB 3.6Å; Y437-A450 HydrophobicContact CE2-CB 3.79Å; S438-A450 WeakPolarHBondContact O-CB 3.34Å; Q439-A450 PolarHBondContact O-N 2.82Å; A450-Q452 PolarHBondContact O-N 2.91Å; A450-Q452 PolarHBondContact O-NE2 3.25Å; A450-Q452 VanDerWaalsContact O-NE2 3.08Å |
| 451 | G | 98 | Very high | 95.3 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 6% | 0.062 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 124.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R384 E553 | R384-G451 PolarHBondContact O-N 2.79Å; G451-E553 WeakPolarHBondContact CA-OE1 3.45Å |
| 452 | Q | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -104.2 | 118.7 | 177.3 | -57.1 | -55.1 | -50.4 | 0 | 0 | 110.2 | A450 S474 H477 V478 E553 L554 | A450-Q452 PolarHBondContact O-N 2.91Å; A450-Q452 PolarHBondContact O-NE2 3.25Å; A450-Q452 VanDerWaalsContact O-NE2 3.08Å; Q452-S474 PolarHBondContact O-OG 3.33Å; Q452-H477 HydrophobicContact CB-CB 4.18Å; Q452-H477 HydrophobicContact CG-CB 4.35Å; Q452-V478 HydrophobicContact CB-CG2 3.81Å; Q452-V478 HydrophobicContact CG-CB 4.49Å; Q452-V478 HydrophobicContact CG-CG2 3.41Å; Q452-V478 VanDerWaalsContact CG-CG2 3.41Å; Q452-E553 WeakPolarHBondContact O-CA 3.34Å; Q452-L554 PolarHBondContact N-O 3.06Å; Q452-L554 PolarHBondContact O-N 2.94Å; Q452-L554 VanDerWaalsContact O-N 3.1Å |
| 453 | I | 97.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 18.3 Ų | 18.3 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | trans | -102 | 159 | 172.4 | 53.7 | 158.6 | 0 | 0 | 0 | 110.6 | I434 L455 H477 P547 K548 A550 E553 | I434-I453 HydrophobicContact CD1-CD1 4Å; I453-L455 HydrophobicContact CD1-CD1 3.76Å; I453-L455 HydrophobicContact CD1-CD2 4.01Å; I453-L455 HydrophobicContact CD1-CG 3.69Å; I453-L455 HydrophobicContact CG1-CD1 4.05Å; I453-L455 HydrophobicContact CG1-CG 3.9Å; I453-L455 PolarHBondContact O-N 3.13Å; I453-H477 PolarHBondContact O-CD2 3.2Å; I453-P547 HydrophobicContact CD1-CB 4.34Å; I453-K548 HydrophobicContact CD1-CB 4.24Å; I453-K548 HydrophobicContact CD1-CG 4.19Å; I453-A550 HydrophobicContact CB-CB 3.99Å; I453-A550 HydrophobicContact CG2-CB 3.85Å; I453-E553 HydrophobicContact CG2-CB 3.83Å; I453-E553 HydrophobicContact CG2-CG 3.94Å | ||
| 454 | P | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -81.6 | 59.3 | -171.5 | 33.1 | -35.2 | 0 | 0 | 0 | 113.3 | L462 V463 E470 L473 A550 V552 | P454-L462 HydrophobicContact CG-CD2 3.96Å; P454-V463 HydrophobicContact CB-CG1 4.3Å; P454-V463 PolarHBondContact O-N 3.22Å; P454-E470 HydrophobicContact CB-CB 4.13Å; P454-E470 HydrophobicContact CB-CG 4.19Å; P454-E470 VanDerWaalsContact CB-O 3.26Å; P454-E470 WeakPolarHBondContact CB-O 3.4Å; P454-E470 HydrophobicContact CG-CB 3.74Å; P454-E470 HydrophobicContact CG-CG 3.68Å; P454-E470 WeakPolarHBondContact CG-OE2 3.47Å; P454-L473 HydrophobicContact CB-CB 3.99Å; P454-L473 HydrophobicContact CB-CD2 4.02Å; P454-L473 HydrophobicContact CB-CG 4.12Å; P454-A550 HydrophobicContact CG-CB 4.48Å; P454-V552 WeakPolarHBondContact CD-O 3.47Å | ||
| 455 | L | 95.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -78.1 | 135.7 | 171.8 | -64.4 | 175.5 | 0 | 0 | 0 | 110.2 | P431 I434 I453 P457 M460 S461 L462 H477 | P431-L455 HydrophobicContact CB-CB 3.9Å; P431-L455 HydrophobicContact CB-CD1 4.36Å; I434-L455 HydrophobicContact CG2-CD1 3.69Å; I453-L455 HydrophobicContact CD1-CD1 3.76Å; I453-L455 HydrophobicContact CD1-CD2 4.01Å; I453-L455 HydrophobicContact CD1-CG 3.69Å; I453-L455 HydrophobicContact CG1-CD1 4.05Å; I453-L455 HydrophobicContact CG1-CG 3.9Å; I453-L455 PolarHBondContact O-N 3.13Å; L455-P457 VanDerWaalsContact O-CD 3.31Å; L455-P457 WeakPolarHBondContact O-CD 3.41Å; L455-M460 HydrophobicContact CD1-CE 3.67Å; L455-S461 WeakPolarHBondContact CA-O 3.31Å; L455-L462 HydrophobicContact CD2-CD2 3.81Å; L455-L462 HydrophobicContact CD2-CG 4.12Å; L455-H477 PolarHBondContact O-CE1 2.67Å; L455-H477 PolarHBondContact O-NE2 2.9Å |
| 456 | V | 94.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | trans | -69.8 | 115.7 | 167.2 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | C262 I266 C458 T459 M460 S461 V463 | C262-V456 HydrophobicContact CB-CG1 3.67Å; I266-V456 HydrophobicContact CD1-CB 4.38Å; I266-V456 HydrophobicContact CD1-CG1 4.09Å; I266-V456 HydrophobicContact CD1-CG2 3.54Å; V456-C458 VanDerWaalsContact C-N 3.31Å; V456-C458 PolarHBondContact O-N 2.86Å; V456-C458 VanDerWaalsContact O-N 3.17Å; V456-T459 WeakPolarHBondContact CB-OG1 3.46Å; V456-T459 PolarHBondContact O-N 3.32Å; V456-M460 WeakPolarHBondContact O-CA 3.4Å; V456-M460 PolarHBondContact O-N 2.71Å; V456-S461 WeakPolarHBondContact CG2-O 3.45Å; V456-S461 PolarHBondContact N-O 3.01Å; V456-V463 HydrophobicContact CG2-CB 4.4Å | ||
| 457 | P | 94.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -41.7 | -168.4 | -33 | 37.9 | 0 | 0 | 0 | 115.5 | S427 L455 | S427-P457 CarbonylContact O-C 3.58Å; S427-P457 WeakPolarHBondContact O-CB 3.48Å; L455-P457 VanDerWaalsContact O-CD 3.31Å; L455-P457 WeakPolarHBondContact O-CD 3.41Å |
| 458 | C | 91.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -22.2 | -172.2 | 61.1 | 0 | 0 | 0 | 0 | 114 | Y136 C260 C262 S427 H428 V456 | Y136-C458 HydrophobicContact CD1-CB 4.31Å; Y136-C458 HydrophobicContact CE1-CB 3.91Å; C260-C458 PolarHBondContact SG-SG 2.92Å; C262-C458 VanDerWaalsContact SG-SG 3.61Å; S427-C458 WeakPolarHBondContact O-CA 3.4Å; S427-C458 PolarHBondContact O-N 2.89Å; S427-C458 VanDerWaalsContact O-N 3.15Å; H428-C458 WeakPolarHBondContact ND1-CB 3.45Å; V456-C458 VanDerWaalsContact C-N 3.31Å; V456-C458 PolarHBondContact O-N 2.86Å; V456-C458 VanDerWaalsContact O-N 3.17Å |
| 459 | T | 90.8 | Very high | 93.1 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 52% | 0.515 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -17.3 | -178 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | V456 S461 | V456-T459 WeakPolarHBondContact CB-OG1 3.46Å; V456-T459 PolarHBondContact O-N 3.32Å; T459-S461 PolarHBondContact O-N 3.01Å; T459-S461 VanDerWaalsContact O-N 3.17Å; T459-S461 PolarHBondContact OG1-N 2.54Å; T459-S461 PolarHBondContact OG1-OG 3.05Å |
| 460 | M | 93.6 | Very high | 93 | Very high | 40 Ų | 40 | 30.5 Ų | 30.5 | 20% | 0.197 | 18% | 0.176 | C | C | . | . | trans | 56.8 | 23.8 | -173 | -59.5 | -59.9 | -68 | 0 | 0 | 113.8 | L426 P431 A432 I434 L455 V456 | L426-M460 HydrophobicContact CD2-CG 3.33Å; L426-M460 HydrophobicContact CD2-SD 4.03Å; P431-M460 HydrophobicContact CB-CE 4.18Å; P431-M460 HydrophobicContact CB-SD 3.95Å; A432-M460 HydrophobicContact CB-CE 4.06Å; A432-M460 HydrophobicContact CB-SD 4.14Å; A432-M460 PolarHBondContact N-SD 2.83Å; A432-M460 VanDerWaalsContact N-SD 3.45Å; A432-M460 WeakPolarHBondContact O-CE 3.27Å; I434-M460 HydrophobicContact CG2-CE 3.7Å; L455-M460 HydrophobicContact CD1-CE 3.67Å; V456-M460 WeakPolarHBondContact O-CA 3.4Å; V456-M460 PolarHBondContact O-N 2.71Å | ||
| 461 | S | 93.3 | Very high | 92.9 | Very high | 57 Ų | 57 | 30.5 Ų | 30.5 | 40% | 0.399 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -95.3 | 150.4 | 172 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | L455 V456 T459 | L455-S461 WeakPolarHBondContact CA-O 3.31Å; V456-S461 WeakPolarHBondContact CG2-O 3.45Å; V456-S461 PolarHBondContact N-O 3.01Å; T459-S461 PolarHBondContact O-N 3.01Å; T459-S461 VanDerWaalsContact O-N 3.17Å; T459-S461 PolarHBondContact OG1-N 2.54Å; T459-S461 PolarHBondContact OG1-OG 3.05Å |
| 462 | L | 91.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 146.2 | 166.3 | -70.7 | 175.7 | 0 | 0 | 0 | 110.5 | P454 L455 K548 A550 | P454-L462 HydrophobicContact CG-CD2 3.96Å; L455-L462 HydrophobicContact CD2-CD2 3.81Å; L455-L462 HydrophobicContact CD2-CG 4.12Å; L462-K548 HydrophobicContact CD1-CB 4.18Å; L462-K548 WeakPolarHBondContact CD1-O 3.18Å; L462-K548 HydrophobicContact CG-CB 4.31Å; L462-A550 HydrophobicContact CD1-CB 4.32Å; L462-A550 HydrophobicContact CD2-CB 3.94Å |
| 463 | V | 85.3 | Confident | 92.8 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 133.9 | 168.3 | 66.1 | 0 | 0 | 0 | 0 | 109.4 | I266 P454 V456 A465 V469 E470 L473 | I266-V463 HydrophobicContact CD1-CG2 4.34Å; I266-V463 HydrophobicContact CG2-CG2 3.69Å; P454-V463 HydrophobicContact CB-CG1 4.3Å; P454-V463 PolarHBondContact O-N 3.22Å; V456-V463 HydrophobicContact CG2-CB 4.4Å; V463-A465 HydrophobicContact CG1-CB 4.44Å; V463-A465 HydrophobicContact CG2-CB 3.76Å; V463-A465 PolarHBondContact O-N 3.25Å; V463-V469 HydrophobicContact CG1-CG1 4.45Å; V463-V469 HydrophobicContact CG2-CG1 4.18Å; V463-E470 HydrophobicContact CG1-CG 3.59Å; V463-L473 HydrophobicContact CB-CD2 4.19Å; V463-L473 HydrophobicContact CG1-CD2 4.12Å |
| 464 | K | 82.6 | Confident | 92.8 | Very high | 216 Ų | 216 | 31.3 Ų | 31.3 | 94% | 0.939 | 18% | 0.178 | S | C | * | . | trans | -92.3 | 73.5 | 174.7 | -69 | -179 | 179.6 | 178.6 | 0 | 109.2 | ||||
| 465 | A | 84.7 | Confident | 92.8 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -140.4 | 180 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V463 V469 | V463-A465 HydrophobicContact CG1-CB 4.44Å; V463-A465 HydrophobicContact CG2-CB 3.76Å; V463-A465 PolarHBondContact O-N 3.25Å; A465-V469 HydrophobicContact CB-CB 3.63Å; A465-V469 HydrophobicContact CB-CG1 3.72Å; A465-V469 HydrophobicContact CB-CG2 4.03Å |
| 466 | A | 89.6 | Confident | 92.8 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 48% | 0.479 | 18% | 0.182 | S | C | . | . | trans | -63.9 | 158.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S468 V469 E470 | A466-S468 PolarHBondContact O-N 3.14Å; A466-S468 VanDerWaalsContact O-N 3.1Å; A466-V469 PolarHBondContact O-N 3.09Å; A466-E470 PolarHBondContact O-N 2.62Å; A466-E470 VanDerWaalsContact O-N 3.14Å | ||
| 467 | T | 92.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.5 | -27.3 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | E470 A471 R503 D506 V510 A551 V552 | T467-E470 PolarHBondContact O-N 3.15Å; T467-A471 VanDerWaalsContact O-CB 3.28Å; T467-A471 WeakPolarHBondContact O-CB 3.43Å; T467-A471 PolarHBondContact O-N 2.83Å; T467-R503 PolarHBondContact OG1-NH2 3.19Å; T467-D506 HydrophobicContact CG2-CB 3.79Å; T467-D506 PolarHBondContact OG1-OD2 3.15Å; T467-V510 HydrophobicContact CG2-CG2 4.09Å; T467-A551 HydrophobicContact CG2-CB 4.25Å; T467-V552 HydrophobicContact CG2-CG2 3.57Å |
| 468 | S | 94.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 173.4 | 46.5 | 0 | 0 | 0 | 0 | 112 | V273 A466 A471 Q472 | V273-S468 WeakPolarHBondContact CG1-OG 3.24Å; A466-S468 PolarHBondContact O-N 3.14Å; A466-S468 VanDerWaalsContact O-N 3.1Å; S468-A471 PolarHBondContact O-N 2.9Å; S468-Q472 WeakPolarHBondContact O-CB 3.46Å; S468-Q472 PolarHBondContact O-N 2.97Å |
| 469 | V | 94.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | I266 M269 V273 V463 A465 A466 Q472 L473 | I266-V469 HydrophobicContact CG2-CG1 4.33Å; M269-V469 HydrophobicContact CB-CG1 4.29Å; V273-V469 HydrophobicContact CG2-CG2 4.22Å; V463-V469 HydrophobicContact CG1-CG1 4.45Å; V463-V469 HydrophobicContact CG2-CG1 4.18Å; A465-V469 HydrophobicContact CB-CB 3.63Å; A465-V469 HydrophobicContact CB-CG1 3.72Å; A465-V469 HydrophobicContact CB-CG2 4.03Å; A466-V469 PolarHBondContact O-N 3.09Å; V469-Q472 PolarHBondContact O-N 3.2Å; V469-L473 VanDerWaalsContact O-CB 3.3Å; V469-L473 WeakPolarHBondContact O-CB 3.26Å; V469-L473 PolarHBondContact O-N 2.91Å |
| 470 | E | 95.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 31 Ų | 31 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 171.8 | -82.2 | -163.1 | -130 | 0 | 0 | 112 | P454 V463 A466 T467 S474 A551 | P454-E470 HydrophobicContact CB-CB 4.13Å; P454-E470 HydrophobicContact CB-CG 4.19Å; P454-E470 VanDerWaalsContact CB-O 3.26Å; P454-E470 WeakPolarHBondContact CB-O 3.4Å; P454-E470 HydrophobicContact CG-CB 3.74Å; P454-E470 HydrophobicContact CG-CG 3.68Å; P454-E470 WeakPolarHBondContact CG-OE2 3.47Å; V463-E470 HydrophobicContact CG1-CG 3.59Å; A466-E470 PolarHBondContact O-N 2.62Å; A466-E470 VanDerWaalsContact O-N 3.14Å; T467-E470 PolarHBondContact O-N 3.15Å; E470-S474 VanDerWaalsContact O-CB 3.32Å; E470-S474 WeakPolarHBondContact O-CB 3.36Å; E470-S474 PolarHBondContact O-N 3.15Å; E470-A551 VanDerWaalsContact OE2-CB 3.26Å; E470-A551 WeakPolarHBondContact OE2-CB 3.34Å; E470-A551 PolarHBondContact OE2-N 3.09Å |
| 471 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T467 S468 L473 S474 F475 V510 V513 V552 | T467-A471 VanDerWaalsContact O-CB 3.28Å; T467-A471 WeakPolarHBondContact O-CB 3.43Å; T467-A471 PolarHBondContact O-N 2.83Å; S468-A471 PolarHBondContact O-N 2.9Å; A471-L473 VanDerWaalsContact C-N 3.33Å; A471-L473 PolarHBondContact O-N 3.2Å; A471-S474 PolarHBondContact O-N 2.77Å; A471-F475 HydrophobicContact CB-CE2 4.41Å; A471-F475 HydrophobicContact CB-CZ 4.32Å; A471-F475 WeakPolarHBondContact O-CB 3.44Å; A471-F475 WeakPolarHBondContact O-CD1 3.28Å; A471-F475 WeakPolarHBondContact O-CG 2.91Å; A471-F475 PolarHBondContact O-N 3.44Å; A471-V510 HydrophobicContact CB-CG2 4.18Å; A471-V513 HydrophobicContact CB-CB 4.23Å; A471-V513 HydrophobicContact CB-CG1 4.02Å; A471-V513 HydrophobicContact CB-CG2 4.3Å; A471-V552 HydrophobicContact CB-CG1 4.44Å; A471-V552 HydrophobicContact CB-CG2 4.3Å |
| 472 | Q | 96.3 | Very high | 93.7 | Very high | 31 Ų | 31 | 26.4 Ų | 26.4 | 15% | 0.145 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | -179.3 | -166.6 | 174.8 | 10.4 | 0 | 0 | 111 | M269 E272 S468 V469 F475 S476 V513 M517 | M269-Q472 VanDerWaalsContact CB-OE1 3.26Å; M269-Q472 HydrophobicContact CE-CG 4.41Å; M269-Q472 VanDerWaalsContact CG-CD 3.48Å; M269-Q472 HydrophobicContact CG-CG 3.99Å; M269-Q472 HydrophobicContact SD-CB 4.27Å; M269-Q472 HydrophobicContact SD-CG 4.06Å; E272-Q472 PolarHBondContact OE2-NE2 3.32Å; S468-Q472 WeakPolarHBondContact O-CB 3.46Å; S468-Q472 PolarHBondContact O-N 2.97Å; V469-Q472 PolarHBondContact O-N 3.2Å; Q472-F475 PolarHBondContact O-N 2.87Å; Q472-S476 VanDerWaalsContact O-CB 3.27Å; Q472-S476 WeakPolarHBondContact O-CB 2.98Å; Q472-S476 PolarHBondContact O-N 2.92Å; Q472-V513 HydrophobicContact CB-CG1 3.99Å; Q472-M517 HydrophobicContact CG-SD 4.19Å |
| 473 | L | 96.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.5 | -47.7 | 176.7 | -175.9 | 57.8 | 0 | 0 | 0 | 111.7 | I266 M269 P454 V463 V469 A471 F475 S476 H477 | I266-L473 HydrophobicContact CD1-CD2 4.44Å; I266-L473 HydrophobicContact CG1-CD2 4.42Å; M269-L473 HydrophobicContact CE-CD1 4.39Å; M269-L473 HydrophobicContact SD-CB 4.26Å; P454-L473 HydrophobicContact CB-CB 3.99Å; P454-L473 HydrophobicContact CB-CD2 4.02Å; P454-L473 HydrophobicContact CB-CG 4.12Å; V463-L473 HydrophobicContact CB-CD2 4.19Å; V463-L473 HydrophobicContact CG1-CD2 4.12Å; V469-L473 VanDerWaalsContact O-CB 3.3Å; V469-L473 WeakPolarHBondContact O-CB 3.26Å; V469-L473 PolarHBondContact O-N 2.91Å; A471-L473 VanDerWaalsContact C-N 3.33Å; A471-L473 PolarHBondContact O-N 3.2Å; L473-F475 VanDerWaalsContact C-N 3.32Å; L473-F475 PolarHBondContact O-N 3.48Å; L473-S476 PolarHBondContact O-N 3.09Å; L473-S476 PolarHBondContact O-OG 3.05Å; L473-H477 PolarHBondContact O-CD2 2.78Å; L473-H477 PolarHBondContact O-N 2.86Å |
| 474 | S | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.7 | -46.1 | 175.3 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | Q452 E470 A471 H477 V478 | Q452-S474 PolarHBondContact O-OG 3.33Å; E470-S474 VanDerWaalsContact O-CB 3.32Å; E470-S474 WeakPolarHBondContact O-CB 3.36Å; E470-S474 PolarHBondContact O-N 3.15Å; A471-S474 PolarHBondContact O-N 2.77Å; S474-H477 WeakPolarHBondContact O-CB 3.28Å; S474-H477 PolarHBondContact O-N 3.05Å; S474-V478 PolarHBondContact O-N 3.42Å |
| 475 | F | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.8 | -33.9 | -178.6 | -63.5 | 2.1 | 0 | 0 | 0 | 111.6 | A471 Q472 L473 H477 V478 K479 V510 V513 W514 M517 V552 L554 | A471-F475 HydrophobicContact CB-CE2 4.41Å; A471-F475 HydrophobicContact CB-CZ 4.32Å; A471-F475 WeakPolarHBondContact O-CB 3.44Å; A471-F475 WeakPolarHBondContact O-CD1 3.28Å; A471-F475 WeakPolarHBondContact O-CG 2.91Å; A471-F475 PolarHBondContact O-N 3.44Å; Q472-F475 PolarHBondContact O-N 2.87Å; L473-F475 VanDerWaalsContact C-N 3.32Å; L473-F475 PolarHBondContact O-N 3.48Å; F475-H477 VanDerWaalsContact C-N 3.28Å; F475-H477 PolarHBondContact O-N 3.47Å; F475-V478 WeakPolarHBondContact O-CB 3.45Å; F475-V478 PolarHBondContact O-N 3.39Å; F475-K479 PolarHBondContact O-N 3.41Å; F475-V510 HydrophobicContact CZ-CG1 3.82Å; F475-V513 HydrophobicContact CD2-CG1 3.83Å; F475-V513 HydrophobicContact CE2-CB 4.34Å; F475-V513 HydrophobicContact CE2-CG1 3.97Å; F475-W514 HydrophobicContact CD2-CB 4.44Å; F475-W514 AromaticContact CD2-CE3 3.91Å; F475-W514 HydrophobicContact CD2-CE3 3.91Å; F475-W514 HydrophobicContact CE2-CB 3.76Å; F475-W514 AromaticContact CE2-CE3 3.95Å; F475-W514 HydrophobicContact CE2-CE3 3.95Å; F475-W514 HydrophobicContact CG-CE3 4.39Å; F475-W514 HydrophobicContact CZ-CE3 4.44Å; F475-M517 HydrophobicContact CB-CE 3.98Å; F475-M517 HydrophobicContact CB-SD 3.39Å; F475-M517 WeakPolarHBondContact CB-SD 3.38Å; F475-M517 HydrophobicContact CD2-SD 3.96Å; F475-M517 HydrophobicContact CG-SD 4.2Å; F475-V552 HydrophobicContact CE1-CG1 4.13Å; F475-L554 HydrophobicContact CB-CD2 4.31Å; F475-L554 HydrophobicContact CD1-CB 3.75Å; F475-L554 HydrophobicContact CD1-CD2 3.31Å; F475-L554 HydrophobicContact CD1-CG 4.01Å; F475-L554 HydrophobicContact CE1-CB 3.79Å; F475-L554 HydrophobicContact CE1-CD1 4.14Å; F475-L554 HydrophobicContact CE1-CD2 3.77Å; F475-L554 HydrophobicContact CE1-CG 4.09Å; F475-L554 HydrophobicContact CG-CD2 3.88Å |
| 476 | S | 95.8 | Very high | 95 | Very high | 14 Ų | 14 | 16.7 Ų | 16.7 | 10% | 0.098 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 172.9 | 81.9 | 0 | 0 | 0 | 0 | 112.1 | Q472 L473 K479 K480 | Q472-S476 VanDerWaalsContact O-CB 3.27Å; Q472-S476 WeakPolarHBondContact O-CB 2.98Å; Q472-S476 PolarHBondContact O-N 2.92Å; L473-S476 PolarHBondContact O-N 3.09Å; L473-S476 PolarHBondContact O-OG 3.05Å; S476-K479 PolarHBondContact O-N 3Å; S476-K480 WeakPolarHBondContact O-CB 3.42Å; S476-K480 VanDerWaalsContact O-CG 3.29Å; S476-K480 WeakPolarHBondContact O-CG 3.43Å; S476-K480 PolarHBondContact O-N 3.07Å |
| 477 | H | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 174 | -64.7 | -32.3 | 0 | 0 | 0 | 111 | Q452 I453 L455 L473 S474 F475 K480 V481 | Q452-H477 HydrophobicContact CB-CB 4.18Å; Q452-H477 HydrophobicContact CG-CB 4.35Å; I453-H477 PolarHBondContact O-CD2 3.2Å; L455-H477 PolarHBondContact O-CE1 2.67Å; L455-H477 PolarHBondContact O-NE2 2.9Å; L473-H477 PolarHBondContact O-CD2 2.78Å; L473-H477 PolarHBondContact O-N 2.86Å; S474-H477 WeakPolarHBondContact O-CB 3.28Å; S474-H477 PolarHBondContact O-N 3.05Å; F475-H477 VanDerWaalsContact C-N 3.28Å; F475-H477 PolarHBondContact O-N 3.47Å; H477-K480 PolarHBondContact O-N 3.44Å; H477-V481 WeakPolarHBondContact O-CB 3.47Å; H477-V481 VanDerWaalsContact O-CG2 3.25Å; H477-V481 WeakPolarHBondContact O-CG2 3.37Å; H477-V481 PolarHBondContact O-N 2.62Å |
| 478 | V | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 173.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | Q452 S474 F475 K480 V481 L482 L491 L554 V556 | Q452-V478 HydrophobicContact CB-CG2 3.81Å; Q452-V478 HydrophobicContact CG-CB 4.49Å; Q452-V478 HydrophobicContact CG-CG2 3.41Å; Q452-V478 VanDerWaalsContact CG-CG2 3.41Å; S474-V478 PolarHBondContact O-N 3.42Å; F475-V478 WeakPolarHBondContact O-CB 3.45Å; F475-V478 PolarHBondContact O-N 3.39Å; V478-K480 PolarHBondContact O-N 3.2Å; V478-V481 PolarHBondContact O-N 2.9Å; V478-L482 HydrophobicContact CG1-CD1 4.03Å; V478-L482 HydrophobicContact CG1-CG 4.32Å; V478-L482 WeakPolarHBondContact O-CG 3.3Å; V478-L482 PolarHBondContact O-N 3.2Å; V478-L491 HydrophobicContact CG1-CD2 4.03Å; V478-L554 HydrophobicContact CB-CD2 4.1Å; V478-L554 HydrophobicContact CG1-CD2 4.32Å; V478-L554 HydrophobicContact CG2-CB 4.12Å; V478-L554 HydrophobicContact CG2-CD2 3.73Å; V478-L554 HydrophobicContact CG2-CG 3.98Å; V478-V556 HydrophobicContact CG1-CB 4.36Å; V478-V556 HydrophobicContact CG1-CG1 3.99Å; V478-V556 HydrophobicContact CG1-CG2 3.39Å |
| 479 | K | 95.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 23 Ų | 23 | 16% | 0.157 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.6 | -52.5 | 176.6 | 178 | 179.5 | 176 | 178.9 | 0 | 111.1 | F475 S476 V481 L482 E483 L491 E524 | F475-K479 PolarHBondContact O-N 3.41Å; S476-K479 PolarHBondContact O-N 3Å; K479-V481 VanDerWaalsContact C-N 3.33Å; K479-V481 PolarHBondContact O-N 3.29Å; K479-L482 PolarHBondContact O-N 3.07Å; K479-E483 WeakPolarHBondContact CE-OE1 3.49Å; K479-E483 WeakPolarHBondContact CG-OE1 3.32Å; K479-E483 WeakPolarHBondContact O-CG 3.03Å; K479-E483 PolarHBondContact O-N 3.27Å; K479-L491 HydrophobicContact CB-CD2 4.36Å; K479-L491 HydrophobicContact CB-CG 4.32Å; K479-E524 IonicContact NZ-OE1 3.74Å; K479-E524 PolarHBondContact NZ-OE1 3.21Å; K479-E524 IonicContact NZ-OE2 2.92Å; K479-E524 PolarHBondContact NZ-OE2 3.35Å |
| 480 | K | 94.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 23.2 Ų | 23.2 | 24% | 0.239 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 178.6 | -75.7 | 172.9 | -179.7 | 176.9 | 0 | 113.4 | W429 S476 H477 V478 A484 | W429-K480 VanDerWaalsContact O-CD 3.3Å; W429-K480 WeakPolarHBondContact O-CD 3.45Å; W429-K480 PolarHBondContact O-NZ 3.01Å; S476-K480 WeakPolarHBondContact O-CB 3.42Å; S476-K480 VanDerWaalsContact O-CG 3.29Å; S476-K480 WeakPolarHBondContact O-CG 3.43Å; S476-K480 PolarHBondContact O-N 3.07Å; H477-K480 PolarHBondContact O-N 3.44Å; V478-K480 PolarHBondContact O-N 3.2Å; K480-A484 VanDerWaalsContact O-CB 3.32Å; K480-A484 WeakPolarHBondContact O-CB 3.25Å; K480-A484 PolarHBondContact O-N 3Å |
| 481 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 176.9 | 164 | 0 | 0 | 0 | 0 | 110.6 | L421 Q439 A440 H477 V478 K479 A484 V485 | L421-V481 HydrophobicContact CD2-CG1 4.04Å; L421-V481 HydrophobicContact CD2-CG2 4.45Å; Q439-V481 HydrophobicContact CB-CG1 4.3Å; Q439-V481 HydrophobicContact CB-CG2 4.05Å; Q439-V481 HydrophobicContact CG-CG2 4.32Å; A440-V481 HydrophobicContact CB-CG1 3.58Å; H477-V481 WeakPolarHBondContact O-CB 3.47Å; H477-V481 VanDerWaalsContact O-CG2 3.25Å; H477-V481 WeakPolarHBondContact O-CG2 3.37Å; H477-V481 PolarHBondContact O-N 2.62Å; V478-V481 PolarHBondContact O-N 2.9Å; K479-V481 VanDerWaalsContact C-N 3.33Å; K479-V481 PolarHBondContact O-N 3.29Å; V481-A484 WeakPolarHBondContact O-CB 3.47Å; V481-A484 PolarHBondContact O-N 2.88Å; V481-A484 VanDerWaalsContact O-N 3.13Å; V481-V485 WeakPolarHBondContact O-CG2 3.39Å; V481-V485 PolarHBondContact O-N 2.81Å |
| 482 | L | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 176 | -70.1 | 174 | 0 | 0 | 0 | 111.5 | V447 V478 K479 A484 V485 I486 L489 L491 V494 V556 A558 | V447-L482 HydrophobicContact CB-CD2 4.28Å; V447-L482 HydrophobicContact CG1-CD2 3.99Å; V478-L482 HydrophobicContact CG1-CD1 4.03Å; V478-L482 HydrophobicContact CG1-CG 4.32Å; V478-L482 WeakPolarHBondContact O-CG 3.3Å; V478-L482 PolarHBondContact O-N 3.2Å; K479-L482 PolarHBondContact O-N 3.07Å; L482-A484 PolarHBondContact O-N 3.38Å; L482-V485 PolarHBondContact O-N 3.08Å; L482-V485 VanDerWaalsContact O-N 3.11Å; L482-I486 PolarHBondContact O-N 3.02Å; L482-I486 VanDerWaalsContact O-O 3.09Å; L482-L489 HydrophobicContact CB-CB 3.94Å; L482-L489 HydrophobicContact CD2-CD1 4.25Å; L482-L491 HydrophobicContact CD1-CD2 4.41Å; L482-V494 HydrophobicContact CD1-CG2 4.08Å; L482-V556 HydrophobicContact CD1-CG2 4.45Å; L482-V556 HydrophobicContact CD2-CG2 4.44Å; L482-A558 HydrophobicContact CD1-CB 4.5Å; L482-A558 HydrophobicContact CD2-CB 3.61Å |
| 483 | E | 93.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 22 Ų | 22 | 29% | 0.285 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.8 | -27.6 | 175.4 | -69 | 167 | 178.8 | 0 | 0 | 112 | K479 I486 P487 L489 | K479-E483 WeakPolarHBondContact CE-OE1 3.49Å; K479-E483 WeakPolarHBondContact CG-OE1 3.32Å; K479-E483 WeakPolarHBondContact O-CG 3.03Å; K479-E483 PolarHBondContact O-N 3.27Å; E483-I486 CarbonylContact O-C 3.56Å; E483-P487 WeakPolarHBondContact O-CA 3.43Å; E483-L489 VanDerWaalsContact CG-O 3.29Å; E483-L489 WeakPolarHBondContact CG-O 3.33Å |
| 484 | A | 92.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R139 L421 W429 K480 V481 L482 | R139-A484 VanDerWaalsContact NH2-CA 3.29Å; R139-A484 PolarHBondContact NH2-O 3.41Å; L421-A484 HydrophobicContact CD2-CB 3.86Å; W429-A484 HydrophobicContact CH2-CB 3.7Å; W429-A484 HydrophobicContact CZ2-CB 3.4Å; K480-A484 VanDerWaalsContact O-CB 3.32Å; K480-A484 WeakPolarHBondContact O-CB 3.25Å; K480-A484 PolarHBondContact O-N 3Å; V481-A484 WeakPolarHBondContact O-CB 3.47Å; V481-A484 PolarHBondContact O-N 2.88Å; V481-A484 VanDerWaalsContact O-N 3.13Å; L482-A484 PolarHBondContact O-N 3.38Å |
| 485 | V | 92.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 12% | 0.115 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78.7 | -42.3 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | L421 A440 K442 V447 V481 L482 | L421-V485 HydrophobicContact CB-CG2 3.98Å; L421-V485 HydrophobicContact CD2-CG2 3.92Å; A440-V485 HydrophobicContact CB-CG2 3.77Å; K442-V485 HydrophobicContact CB-CG1 3.57Å; K442-V485 HydrophobicContact CD-CG1 3.83Å; K442-V485 HydrophobicContact CG-CG1 3.91Å; V447-V485 HydrophobicContact CB-CG1 4.43Å; V447-V485 HydrophobicContact CG1-CB 4.12Å; V447-V485 HydrophobicContact CG1-CG1 3.94Å; V447-V485 HydrophobicContact CG1-CG2 4.14Å; V447-V485 HydrophobicContact CG2-CB 4.26Å; V447-V485 HydrophobicContact CG2-CG1 3.59Å; V481-V485 WeakPolarHBondContact O-CG2 3.39Å; V481-V485 PolarHBondContact O-N 2.81Å; L482-V485 PolarHBondContact O-N 3.08Å; L482-V485 VanDerWaalsContact O-N 3.11Å |
| 486 | I | 92.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -140.4 | 116.4 | 175.3 | -60.9 | 179.5 | 0 | 0 | 0 | 107.7 | K442 V447 L482 E483 N488 L489 N560 | K442-I486 HydrophobicContact CD-CD1 4.37Å; K442-I486 HydrophobicContact CD-CG1 4.19Å; V447-I486 HydrophobicContact CG2-CD1 4.01Å; V447-I486 HydrophobicContact CG2-CG1 4.36Å; L482-I486 PolarHBondContact O-N 3.02Å; L482-I486 VanDerWaalsContact O-O 3.09Å; E483-I486 CarbonylContact O-C 3.56Å; I486-N488 PolarHBondContact O-N 3.48Å; I486-L489 HydrophobicContact CB-CB 4.48Å; I486-L489 HydrophobicContact CB-CD1 3.72Å; I486-L489 HydrophobicContact CB-CG 3.69Å; I486-L489 HydrophobicContact CD1-CD1 3.96Å; I486-L489 HydrophobicContact CD1-CG 4.42Å; I486-L489 HydrophobicContact CG1-CD1 4.11Å; I486-L489 HydrophobicContact CG2-CD1 4.44Å; I486-L489 HydrophobicContact CG2-CG 3.93Å; I486-L489 PolarHBondContact O-N 3.48Å; I486-N560 HydrophobicContact CD1-CB 3.9Å |
| 487 | P | 88.8 | Confident | 93.5 | Very high | 104 Ų | 104 | 21.8 Ų | 21.8 | 68% | 0.675 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27.1 | -170.4 | -31.4 | 36 | 0 | 0 | 0 | 116.7 | E483 | E483-P487 WeakPolarHBondContact O-CA 3.43Š|
| 488 | N | 88.1 | Confident | 93.5 | Very high | 111 Ų | 111 | 21.8 Ų | 21.8 | 59% | 0.594 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.2 | -176.3 | -67.9 | -27.5 | 0 | 0 | 0 | 114.4 | I486 H493 K525 | I486-N488 PolarHBondContact O-N 3.48Å; N488-H493 PolarHBondContact O-CE1 3.16Å; N488-K525 PolarHBondContact O-NZ 2.84Å |
| 489 | L | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -68.5 | 146.4 | -179.8 | -71.8 | -176.3 | 0 | 0 | 0 | 111.6 | V447 L482 E483 I486 H493 N560 | V447-L489 HydrophobicContact CB-CD1 4.28Å; V447-L489 HydrophobicContact CG2-CD1 3.61Å; L482-L489 HydrophobicContact CB-CB 3.94Å; L482-L489 HydrophobicContact CD2-CD1 4.25Å; E483-L489 VanDerWaalsContact CG-O 3.29Å; E483-L489 WeakPolarHBondContact CG-O 3.33Å; I486-L489 HydrophobicContact CB-CB 4.48Å; I486-L489 HydrophobicContact CB-CD1 3.72Å; I486-L489 HydrophobicContact CB-CG 3.69Å; I486-L489 HydrophobicContact CD1-CD1 3.96Å; I486-L489 HydrophobicContact CD1-CG 4.42Å; I486-L489 HydrophobicContact CG1-CD1 4.11Å; I486-L489 HydrophobicContact CG2-CD1 4.44Å; I486-L489 HydrophobicContact CG2-CG 3.93Å; I486-L489 PolarHBondContact O-N 3.48Å; L489-H493 HydrophobicContact CD2-CB 3.6Å; L489-N560 HydrophobicContact CD2-CB 3.91Å | ||
| 490 | T | 92 | Very high | 93.7 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.043 | 11% | 0.111 | C | C | . | . | trans | -143.8 | 177.7 | 178.8 | 68.9 | 0 | 0 | 0 | 0 | 109.3 | A492 H493 T521 K525 | T490-A492 PolarHBondContact O-N 3.08Å; T490-A492 PolarHBondContact OG1-N 3.44Å; T490-H493 PolarHBondContact N-ND1 3.21Å; T490-H493 WeakPolarHBondContact O-CB 3.4Å; T490-H493 PolarHBondContact O-N 2.9Å; T490-H493 PolarHBondContact OG1-ND1 3.27Å; T490-H493 VanDerWaalsContact OG1-ND1 3.08Å; T490-T521 HydrophobicContact CG2-CG2 3.94Å; T490-K525 HydrophobicContact CG2-CD 4.26Å; T490-K525 VanDerWaalsContact CG2-CE 3.48Å | ||
| 491 | L | 92.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -59.4 | -26 | 174.5 | -63.7 | -179.2 | 0 | 0 | 0 | 113.4 | V478 K479 L482 H493 V494 W514 M517 L518 | V478-L491 HydrophobicContact CG1-CD2 4.03Å; K479-L491 HydrophobicContact CB-CD2 4.36Å; K479-L491 HydrophobicContact CB-CG 4.32Å; L482-L491 HydrophobicContact CD1-CD2 4.41Å; L491-H493 PolarHBondContact O-N 3.5Å; L491-V494 VanDerWaalsContact O-CB 3.31Å; L491-V494 WeakPolarHBondContact O-CB 3.5Å; L491-V494 WeakPolarHBondContact O-CG2 3.46Å; L491-V494 PolarHBondContact O-N 3.13Å; L491-V494 VanDerWaalsContact O-N 3.16Å; L491-W514 HydrophobicContact CD1-CZ3 4.32Å; L491-W514 HydrophobicContact CD2-CH2 4.27Å; L491-W514 HydrophobicContact CD2-CZ3 4.08Å; L491-M517 HydrophobicContact CD1-CB 3.91Å; L491-M517 HydrophobicContact CD1-CE 4.17Å; L491-L518 HydrophobicContact CB-CD2 3.81Å |
| 492 | A | 90.7 | Very high | 94 | Very high | 5 Ų | 5 | 19 Ų | 19 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -64.9 | -23.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T490 V494 W529 L535 P563 R566 | T490-A492 PolarHBondContact O-N 3.08Å; T490-A492 PolarHBondContact OG1-N 3.44Å; A492-V494 VanDerWaalsContact C-N 3.26Å; A492-V494 PolarHBondContact O-N 2.91Å; A492-W529 HydrophobicContact CB-CH2 4.26Å; A492-L535 HydrophobicContact CB-CD2 4.39Å; A492-P563 HydrophobicContact CB-CG 4.38Å; A492-R566 PolarHBondContact O-NH1 3.29Å |
| 493 | H | 93.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 22.2 Ų | 22.2 | 10% | 0.102 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -81.4 | -6 | 178.9 | -63 | 85.9 | 0 | 0 | 0 | 113 | N488 L489 T490 L491 V495 A558 V559 D561 R566 | N488-H493 PolarHBondContact O-CE1 3.16Å; L489-H493 HydrophobicContact CD2-CB 3.6Å; T490-H493 PolarHBondContact N-ND1 3.21Å; T490-H493 WeakPolarHBondContact O-CB 3.4Å; T490-H493 PolarHBondContact O-N 2.9Å; T490-H493 PolarHBondContact OG1-ND1 3.27Å; T490-H493 VanDerWaalsContact OG1-ND1 3.08Å; L491-H493 PolarHBondContact O-N 3.5Å; H493-V495 PolarHBondContact O-N 3.26Å; H493-A558 WeakPolarHBondContact O-CA 3.21Å; H493-V559 WeakPolarHBondContact CB-O 3.27Å; H493-V559 PolarHBondContact O-N 3.16Å; H493-V559 VanDerWaalsContact O-N 3.17Å; H493-D561 PolarHBondContact CD2-O 3.39Å; H493-D561 PolarHBondContact NE2-O 3.3Å; H493-R566 VanDerWaalsContact C-NH2 3.33Å; H493-R566 PolarHBondContact O-NH2 3.4Å |
| 494 | V | 94.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 127.5 | 177.2 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | L482 L491 A492 Q496 A497 W514 V556 A558 R566 | L482-V494 HydrophobicContact CD1-CG2 4.08Å; L491-V494 VanDerWaalsContact O-CB 3.31Å; L491-V494 WeakPolarHBondContact O-CB 3.5Å; L491-V494 WeakPolarHBondContact O-CG2 3.46Å; L491-V494 PolarHBondContact O-N 3.13Å; L491-V494 VanDerWaalsContact O-N 3.16Å; A492-V494 VanDerWaalsContact C-N 3.26Å; A492-V494 PolarHBondContact O-N 2.91Å; V494-Q496 VanDerWaalsContact CG1-O 3.3Å; V494-Q496 WeakPolarHBondContact CG1-O 3.29Å; V494-A497 HydrophobicContact CG1-CB 3.96Å; V494-W514 HydrophobicContact CB-CH2 4.5Å; V494-W514 HydrophobicContact CG1-CH2 4.44Å; V494-W514 HydrophobicContact CG2-CH2 4.41Å; V494-V556 HydrophobicContact CG1-CB 3.86Å; V494-V556 HydrophobicContact CG1-CG1 3.94Å; V494-V556 HydrophobicContact CG2-CB 3.97Å; V494-V556 HydrophobicContact CG2-CG1 4.09Å; V494-V556 HydrophobicContact CG2-CG2 4.09Å; V494-A558 HydrophobicContact CG2-CB 4.43Å; V494-R566 PolarHBondContact O-NH1 2.96Å |
| 495 | V | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -19.1 | 175.5 | -70.6 | 0 | 0 | 0 | 0 | 112.4 | H493 A536 T557 V559 S594 | H493-V495 PolarHBondContact O-N 3.26Å; V495-A536 WeakPolarHBondContact O-CB 3.3Å; V495-T557 HydrophobicContact CG2-CG2 4.18Å; V495-T557 VanDerWaalsContact CG2-O 3.29Å; V495-T557 WeakPolarHBondContact CG2-O 3.44Å; V495-T557 PolarHBondContact N-O 3.37Å; V495-V559 HydrophobicContact CG1-CG1 3.53Å; V495-S594 WeakPolarHBondContact O-CB 3.37Å; V495-S594 PolarHBondContact O-OG 2.66Å |
| 496 | Q | 94.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 129.3 | 175.2 | -175.3 | 177.5 | 55.8 | 0 | 0 | 109.3 | V494 V556 T557 S688 | V494-Q496 VanDerWaalsContact CG1-O 3.3Å; V494-Q496 WeakPolarHBondContact CG1-O 3.29Å; Q496-V556 CarbonylContact O-C 3.56Å; Q496-V556 VanDerWaalsContact O-CA 3.26Å; Q496-V556 WeakPolarHBondContact O-CA 3.11Å; Q496-T557 PolarHBondContact N-O 2.91Å; Q496-T557 PolarHBondContact O-N 3.5Å; Q496-S688 PolarHBondContact NE2-OG 3.26Å |
| 497 | A | 96.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V494 W514 L538 L539 L554 H555 V556 | V494-A497 HydrophobicContact CG1-CB 3.96Å; A497-W514 HydrophobicContact CB-CH2 4.34Å; A497-W514 HydrophobicContact CB-CZ2 4.3Å; A497-L538 HydrophobicContact CB-CD1 3.63Å; A497-L539 WeakPolarHBondContact O-CB 3.37Å; A497-L539 PolarHBondContact O-N 3.27Å; A497-L554 HydrophobicContact CB-CD1 4.43Å; A497-H555 WeakPolarHBondContact CA-O 3.44Å; A497-V556 HydrophobicContact CB-CG1 4.1Å |
| 498 | H | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.5 | 172.6 | -59.4 | 159 | 0 | 0 | 0 | 108.8 | Y500 H555 S688 | H498-Y500 HydrophobicContact CB-CE2 3.91Å; H498-H555 HydrophobicContact CB-CB 4.48Å; H498-H555 PolarHBondContact N-O 3.4Å; H498-H555 AromaticContact ND1-CD2 3.7Å; H498-H555 PolarHBondContact O-N 2.81Å; H498-S688 WeakPolarHBondContact NE2-CB 3.39Å; H498-S688 PolarHBondContact NE2-OG 3.12Å |
| 499 | C | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.1 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | V510 L538 L539 I540 V541 E553 L554 | C499-V510 VanDerWaalsContact SG-CG1 3.54Å; C499-L538 HydrophobicContact CB-CD1 3.77Å; C499-L538 HydrophobicContact CB-CD2 4.36Å; C499-L538 HydrophobicContact CB-CG 4.15Å; C499-L539 PolarHBondContact N-O 3.2Å; C499-I540 HydrophobicContact CB-CG1 4.18Å; C499-I540 CarbonylContact O-C 3.58Å; C499-I540 VanDerWaalsContact O-CA 3.29Å; C499-I540 WeakPolarHBondContact O-CA 3.32Å; C499-V541 PolarHBondContact O-N 2.8Å; C499-E553 WeakPolarHBondContact CA-O 3.4Å; C499-L554 HydrophobicContact CB-CD1 4.07Å |
| 500 | Y | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.3 | 178.2 | -57.9 | -91.4 | 0 | 0 | 0 | 108.2 | Y359 V385 V387 H498 V541 I543 V552 E553 F641 | Y359-Y500 HydrophobicContact CE1-CE1 4.44Å; V385-Y500 HydrophobicContact CG1-CD2 4.45Å; V385-Y500 HydrophobicContact CG1-CE2 3.66Å; V387-Y500 HydrophobicContact CB-CD1 4.4Å; V387-Y500 HydrophobicContact CG1-CD1 4.11Å; V387-Y500 HydrophobicContact CG1-CD2 4.04Å; V387-Y500 HydrophobicContact CG1-CE1 4.5Å; V387-Y500 HydrophobicContact CG1-CE2 4.44Å; V387-Y500 HydrophobicContact CG1-CG 3.89Å; V387-Y500 HydrophobicContact CG2-CD1 3.91Å; V387-Y500 HydrophobicContact CG2-CE1 3.9Å; H498-Y500 HydrophobicContact CB-CE2 3.91Å; Y500-V541 HydrophobicContact CD1-CG2 3.25Å; Y500-V541 HydrophobicContact CE1-CG2 3.66Å; Y500-V541 HydrophobicContact CG-CG2 4.06Å; Y500-I543 HydrophobicContact CD1-CD1 4.28Å; Y500-I543 HydrophobicContact CD1-CG2 4.14Å; Y500-I543 HydrophobicContact CG-CD1 4.4Å; Y500-V552 CarbonylContact O-C 3.6Å; Y500-V552 WeakPolarHBondContact O-CA 3.38Å; Y500-E553 PolarHBondContact N-O 2.74Å; Y500-E553 PolarHBondContact O-N 3.31Å; Y500-F641 AromaticContact CE1-CE1 3.89Å; Y500-F641 HydrophobicContact CE1-CE1 3.89Å; Y500-F641 HydrophobicContact CE1-CZ 4.2Å |
| 501 | I | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.9 | 178.1 | 68.1 | 174.7 | 0 | 0 | 0 | 110.7 | R503 D506 V507 V510 I540 V541 V542 I543 A551 V552 | I501-R503 VanDerWaalsContact CD1-O 3.25Å; I501-R503 WeakPolarHBondContact CD1-O 3.33Å; I501-D506 HydrophobicContact CD1-CB 4.43Å; I501-V507 HydrophobicContact CD1-CB 4.39Å; I501-V507 HydrophobicContact CD1-CG2 3.54Å; I501-V510 HydrophobicContact CG2-CG1 4.43Å; I501-V510 HydrophobicContact CG2-CG2 4.09Å; I501-I540 HydrophobicContact CD1-CG2 3.67Å; I501-I540 HydrophobicContact CG1-CG2 3.96Å; I501-I540 HydrophobicContact CG2-CG2 4.25Å; I501-V541 WeakPolarHBondContact CG1-O 3.41Å; I501-V541 PolarHBondContact N-O 3.19Å; I501-V542 HydrophobicContact CD1-CG2 4.2Å; I501-V542 HydrophobicContact CG1-CG2 4.05Å; I501-V542 CarbonylContact O-C 3.59Å; I501-V542 VanDerWaalsContact O-CA 3.3Å; I501-V542 WeakPolarHBondContact O-CA 3.41Å; I501-I543 WeakPolarHBondContact O-CG1 3.43Å; I501-I543 PolarHBondContact O-N 3.44Å; I501-A551 VanDerWaalsContact CA-O 3.28Å; I501-A551 WeakPolarHBondContact CA-O 3.42Å; I501-V552 HydrophobicContact CG2-CG1 4.41Å; I501-V552 HydrophobicContact CG2-CG2 4.14Å |
| 502 | T | 97 | Very high | 95.3 | Very high | 32 Ų | 32 | 28 Ų | 28 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -93.7 | -11.2 | -178.3 | 58.1 | 0 | 0 | 0 | 0 | 114 | I543 L546 A550 A551 | T502-I543 WeakPolarHBondContact CA-O 3.48Å; T502-L546 HydrophobicContact CG2-CD1 4.19Å; T502-L546 HydrophobicContact CG2-CG 4.13Å; T502-A550 WeakPolarHBondContact CG2-O 3.46Å; T502-A551 PolarHBondContact N-O 3.37Å; T502-A551 VanDerWaalsContact N-O 3.16Å |
| 503 | R | 94.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 28.6 Ų | 28.6 | 25% | 0.253 | 15% | 0.153 | S | C | . | . | trans | -137.9 | 127.7 | -176 | -54.2 | -178 | -59.6 | -165.9 | 7.8 | 112 | T467 I501 R505 D506 | T467-R503 PolarHBondContact OG1-NH2 3.19Å; I501-R503 VanDerWaalsContact CD1-O 3.25Å; I501-R503 WeakPolarHBondContact CD1-O 3.33Å; R503-R505 VanDerWaalsContact C-N 3.27Å; R503-R505 HydrophobicContact CB-CG 4.19Å; R503-R505 PolarHBondContact O-N 3.41Å; R503-D506 IonicContact CZ-OD1 3.93Å; R503-D506 IonicContact CZ-OD2 2.74Å; R503-D506 VanDerWaalsContact CZ-OD2 3.25Å; R503-D506 IonicContact NE-OD1 3.34Å; R503-D506 IonicContact NE-OD2 3.82Å; R503-D506 PolarHBondContact NE-OD2 3.47Å; R503-D506 IonicContact NH2-OD1 2.81Å; R503-D506 PolarHBondContact NH2-OD1 2.8Å; R503-D506 IonicContact NH2-OD2 3.83Å; R503-D506 PolarHBondContact NH2-OD2 3Å; R503-D506 PolarHBondContact O-N 3.43Å; R503-D506 VanDerWaalsContact O-N 3.13Å | ||
| 504 | H | 93.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 28.2 Ų | 28.2 | 38% | 0.375 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -56.9 | -38 | 178.7 | -178.9 | 98.3 | 0 | 0 | 0 | 113.5 | D506 V507 V542 D678 | H504-D506 PolarHBondContact O-N 2.86Å; H504-D506 VanDerWaalsContact O-N 3.09Å; H504-V507 WeakPolarHBondContact O-CB 3.37Å; H504-V507 WeakPolarHBondContact O-CG2 3.27Å; H504-V507 PolarHBondContact O-N 2.88Å; H504-V507 VanDerWaalsContact O-N 3.14Å; H504-V542 HydrophobicContact CB-CG2 4.23Å; H504-D678 IonicContact CE1-OD2 3.75Å; H504-D678 PolarHBondContact CE1-OD2 2.89Å; H504-D678 IonicContact CG-OD2 2.91Å; H504-D678 IonicContact ND1-OD2 3.27Å; H504-D678 PolarHBondContact ND1-OD2 3.04Å |
| 505 | R | 93.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 33.3 Ų | 33.3 | 36% | 0.362 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -59.6 | -23.3 | -179.2 | 69.8 | -173.2 | -179.5 | -169.7 | 13.3 | 113.7 | D281 N282 R503 V507 | D281-R505 IonicContact OD1-CZ 2.62Å; D281-R505 IonicContact OD1-NH1 3.82Å; D281-R505 IonicContact OD1-NH2 2.68Å; D281-R505 PolarHBondContact OD1-NH2 2.91Å; N282-R505 PolarHBondContact O-NH1 3.29Å; R503-R505 VanDerWaalsContact C-N 3.27Å; R503-R505 HydrophobicContact CB-CG 4.19Å; R503-R505 PolarHBondContact O-N 3.41Å; R505-V507 VanDerWaalsContact C-N 3.3Å; R505-V507 PolarHBondContact O-N 3.32Å |
| 506 | D | 95.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -83.3 | -6.2 | -176.5 | -61.4 | -15.8 | 0 | 0 | 0 | 112.6 | T467 I501 R503 H504 A508 T509 V510 | T467-D506 HydrophobicContact CG2-CB 3.79Å; T467-D506 PolarHBondContact OG1-OD2 3.15Å; I501-D506 HydrophobicContact CD1-CB 4.43Å; R503-D506 IonicContact CZ-OD1 3.93Å; R503-D506 IonicContact CZ-OD2 2.74Å; R503-D506 VanDerWaalsContact CZ-OD2 3.25Å; R503-D506 IonicContact NE-OD1 3.34Å; R503-D506 IonicContact NE-OD2 3.82Å; R503-D506 PolarHBondContact NE-OD2 3.47Å; R503-D506 IonicContact NH2-OD1 2.81Å; R503-D506 PolarHBondContact NH2-OD1 2.8Å; R503-D506 IonicContact NH2-OD2 3.83Å; R503-D506 PolarHBondContact NH2-OD2 3Å; R503-D506 PolarHBondContact O-N 3.43Å; R503-D506 VanDerWaalsContact O-N 3.13Å; H504-D506 PolarHBondContact O-N 2.86Å; H504-D506 VanDerWaalsContact O-N 3.09Å; D506-A508 VanDerWaalsContact C-N 3.33Å; D506-A508 PolarHBondContact O-N 3.16Å; D506-T509 PolarHBondContact O-N 3.26Å; D506-V510 WeakPolarHBondContact O-CB 3.37Å; D506-V510 WeakPolarHBondContact O-CG2 3.45Å; D506-V510 PolarHBondContact O-N 3.34Å |
| 507 | V | 95.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.5 | -47.7 | -179.2 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | I501 H504 R505 R511 I540 P680 | I501-V507 HydrophobicContact CD1-CB 4.39Å; I501-V507 HydrophobicContact CD1-CG2 3.54Å; H504-V507 WeakPolarHBondContact O-CB 3.37Å; H504-V507 WeakPolarHBondContact O-CG2 3.27Å; H504-V507 PolarHBondContact O-N 2.88Å; H504-V507 VanDerWaalsContact O-N 3.14Å; R505-V507 VanDerWaalsContact C-N 3.3Å; R505-V507 PolarHBondContact O-N 3.32Å; V507-R511 WeakPolarHBondContact O-CG 3.49Å; V507-R511 PolarHBondContact O-N 2.74Å; V507-R511 VanDerWaalsContact O-N 3.07Å; V507-I540 HydrophobicContact CG1-CD1 4.33Å; V507-I540 HydrophobicContact CG2-CG2 4.18Å; V507-P680 HydrophobicContact CG1-CB 3.98Å; V507-P680 HydrophobicContact CG1-CG 3.97Å; V507-P680 HydrophobicContact CG2-CG 4.18Å |
| 508 | A | 94.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 56% | 0.562 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.4 | -44.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D506 V510 R511 A512 | D506-A508 VanDerWaalsContact C-N 3.33Å; D506-A508 PolarHBondContact O-N 3.16Å; A508-V510 PolarHBondContact O-N 3.17Å; A508-R511 PolarHBondContact O-N 2.68Å; A508-A512 PolarHBondContact O-N 3.28Å |
| 509 | T | 95.3 | Very high | 94 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 177.1 | -54 | 0 | 0 | 0 | 0 | 111.5 | D506 R511 A512 V513 | D506-T509 PolarHBondContact O-N 3.26Å; T509-R511 PolarHBondContact O-N 2.9Å; T509-A512 PolarHBondContact O-N 3.18Å; T509-V513 WeakPolarHBondContact O-CG2 3.41Å; T509-V513 PolarHBondContact O-N 3.24Å |
| 510 | V | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | -178.8 | 172 | 0 | 0 | 0 | 0 | 111.8 | T467 A471 F475 C499 I501 D506 A508 W514 L538 I540 V552 | T467-V510 HydrophobicContact CG2-CG2 4.09Å; A471-V510 HydrophobicContact CB-CG2 4.18Å; F475-V510 HydrophobicContact CZ-CG1 3.82Å; C499-V510 VanDerWaalsContact SG-CG1 3.54Å; I501-V510 HydrophobicContact CG2-CG1 4.43Å; I501-V510 HydrophobicContact CG2-CG2 4.09Å; D506-V510 WeakPolarHBondContact O-CB 3.37Å; D506-V510 WeakPolarHBondContact O-CG2 3.45Å; D506-V510 PolarHBondContact O-N 3.34Å; A508-V510 PolarHBondContact O-N 3.17Å; V510-W514 PolarHBondContact O-N 2.92Å; V510-W514 VanDerWaalsContact O-N 3.08Å; V510-L538 HydrophobicContact CG1-CD2 4.33Å; V510-I540 HydrophobicContact CB-CD1 4.44Å; V510-I540 HydrophobicContact CG1-CD1 4.1Å; V510-V552 HydrophobicContact CG2-CG2 3.97Å |
| 511 | R | 95.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 46 Ų | 46 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 171.9 | -74.4 | 177.5 | 176.6 | 168.5 | -6.4 | 111.6 | V507 A508 T509 V513 W514 E515 I540 D681 | V507-R511 WeakPolarHBondContact O-CG 3.49Å; V507-R511 PolarHBondContact O-N 2.74Å; V507-R511 VanDerWaalsContact O-N 3.07Å; A508-R511 PolarHBondContact O-N 2.68Å; T509-R511 PolarHBondContact O-N 2.9Å; R511-V513 VanDerWaalsContact C-N 3.34Å; R511-V513 PolarHBondContact O-N 2.94Å; R511-W514 WeakPolarHBondContact O-CB 3.18Å; R511-W514 PolarHBondContact O-N 3.2Å; R511-E515 WeakPolarHBondContact O-CG 3.33Å; R511-E515 PolarHBondContact O-N 3.46Å; R511-I540 HydrophobicContact CG-CD1 3.46Å; R511-I540 VanDerWaalsContact CG-CD1 3.46Å; R511-D681 IonicContact CZ-OD1 3.82Å; R511-D681 IonicContact CZ-OD2 3.68Å; R511-D681 IonicContact NH1-OD1 2.69Å; R511-D681 PolarHBondContact NH1-OD1 2.93Å; R511-D681 IonicContact NH1-OD2 3.18Å; R511-D681 PolarHBondContact NH1-OD2 2.8Å; R511-D681 IonicContact NH2-OD1 2.82Å; R511-D681 IonicContact NH2-OD2 2.74Å; R511-D681 PolarHBondContact NH2-OD2 3.28Å |
| 512 | A | 93.9 | Very high | 90.3 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 45% | 0.446 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A508 T509 E515 S516 | A508-A512 PolarHBondContact O-N 3.28Å; T509-A512 PolarHBondContact O-N 3.18Å; A512-E515 PolarHBondContact O-N 3.34Å; A512-S516 WeakPolarHBondContact O-CB 3.01Å; A512-S516 PolarHBondContact O-N 3.05Å |
| 513 | V | 95 | Very high | 88.7 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | A471 Q472 F475 T509 R511 E515 S516 M517 | A471-V513 HydrophobicContact CB-CB 4.23Å; A471-V513 HydrophobicContact CB-CG1 4.02Å; A471-V513 HydrophobicContact CB-CG2 4.3Å; Q472-V513 HydrophobicContact CB-CG1 3.99Å; F475-V513 HydrophobicContact CD2-CG1 3.83Å; F475-V513 HydrophobicContact CE2-CB 4.34Å; F475-V513 HydrophobicContact CE2-CG1 3.97Å; T509-V513 WeakPolarHBondContact O-CG2 3.41Å; T509-V513 PolarHBondContact O-N 3.24Å; R511-V513 VanDerWaalsContact C-N 3.34Å; R511-V513 PolarHBondContact O-N 2.94Å; V513-E515 PolarHBondContact O-N 3.4Å; V513-S516 PolarHBondContact O-N 3.08Å; V513-M517 HydrophobicContact CG1-CG 4.44Å; V513-M517 HydrophobicContact CG1-SD 4.24Å; V513-M517 WeakPolarHBondContact O-CG 3.13Å; V513-M517 PolarHBondContact O-N 3.34Å |
| 514 | W | 94.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 177.1 | 178.9 | -107 | 0 | 0 | 0 | 111.8 | F475 L491 V494 A497 V510 R511 S516 M517 L518 L538 L554 | F475-W514 HydrophobicContact CD2-CB 4.44Å; F475-W514 AromaticContact CD2-CE3 3.91Å; F475-W514 HydrophobicContact CD2-CE3 3.91Å; F475-W514 HydrophobicContact CE2-CB 3.76Å; F475-W514 AromaticContact CE2-CE3 3.95Å; F475-W514 HydrophobicContact CE2-CE3 3.95Å; F475-W514 HydrophobicContact CG-CE3 4.39Å; F475-W514 HydrophobicContact CZ-CE3 4.44Å; L491-W514 HydrophobicContact CD1-CZ3 4.32Å; L491-W514 HydrophobicContact CD2-CH2 4.27Å; L491-W514 HydrophobicContact CD2-CZ3 4.08Å; V494-W514 HydrophobicContact CB-CH2 4.5Å; V494-W514 HydrophobicContact CG1-CH2 4.44Å; V494-W514 HydrophobicContact CG2-CH2 4.41Å; A497-W514 HydrophobicContact CB-CH2 4.34Å; A497-W514 HydrophobicContact CB-CZ2 4.3Å; V510-W514 PolarHBondContact O-N 2.92Å; V510-W514 VanDerWaalsContact O-N 3.08Å; R511-W514 WeakPolarHBondContact O-CB 3.18Å; R511-W514 PolarHBondContact O-N 3.2Å; W514-S516 PolarHBondContact O-N 3.09Å; W514-M517 PolarHBondContact O-N 3.21Å; W514-L518 HydrophobicContact CD2-CD1 4.15Å; W514-L518 HydrophobicContact CG-CD1 4.09Å; W514-L518 HydrophobicContact CZ2-CD1 4.16Å; W514-L518 HydrophobicContact CZ2-CD2 4.34Å; W514-L518 WeakPolarHBondContact O-CD1 3.43Å; W514-L518 VanDerWaalsContact O-CG 3.3Å; W514-L518 WeakPolarHBondContact O-CG 3.28Å; W514-L518 PolarHBondContact O-N 2.95Å; W514-L538 HydrophobicContact CB-CD2 3.71Å; W514-L538 HydrophobicContact CD2-CD1 4.18Å; W514-L538 HydrophobicContact CD2-CD2 4.24Å; W514-L538 HydrophobicContact CE3-CD1 4.41Å; W514-L538 HydrophobicContact CG-CB 4.23Å; W514-L538 HydrophobicContact CG-CD1 4.48Å; W514-L538 HydrophobicContact CG-CD2 3.73Å; W514-L538 HydrophobicContact CG-CG 4.37Å; W514-L554 HydrophobicContact CE3-CD2 4.33Å; W514-L554 HydrophobicContact CZ3-CD2 3.76Å |
| 515 | E | 91.6 | Very high | 85.3 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 177.9 | -71 | 172 | -167.8 | 0 | 0 | 112.4 | R511 A512 V513 L518 K519 | R511-E515 WeakPolarHBondContact O-CG 3.33Å; R511-E515 PolarHBondContact O-N 3.46Å; A512-E515 PolarHBondContact O-N 3.34Å; V513-E515 PolarHBondContact O-N 3.4Å; E515-L518 PolarHBondContact O-N 3.22Å; E515-K519 WeakPolarHBondContact O-CG 3Å; E515-K519 PolarHBondContact O-N 3.33Å; E515-K519 VanDerWaalsContact O-N 3.12Å |
| 516 | S | 90.4 | Very high | 83.4 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | A512 V513 W514 L518 K519 A520 | A512-S516 WeakPolarHBondContact O-CB 3.01Å; A512-S516 PolarHBondContact O-N 3.05Å; V513-S516 PolarHBondContact O-N 3.08Å; W514-S516 PolarHBondContact O-N 3.09Å; S516-L518 VanDerWaalsContact C-N 3.33Å; S516-L518 PolarHBondContact O-N 2.94Å; S516-K519 PolarHBondContact O-N 3.15Å; S516-A520 PolarHBondContact O-N 3.15Å |
| 517 | M | 90.4 | Very high | 81.2 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.9 | -32 | 179.8 | -70 | -169.5 | 71.6 | 0 | 0 | 113.2 | Q472 F475 L491 V513 W514 T521 | Q472-M517 HydrophobicContact CG-SD 4.19Å; F475-M517 HydrophobicContact CB-CE 3.98Å; F475-M517 HydrophobicContact CB-SD 3.39Å; F475-M517 WeakPolarHBondContact CB-SD 3.38Å; F475-M517 HydrophobicContact CD2-SD 3.96Å; F475-M517 HydrophobicContact CG-SD 4.2Å; L491-M517 HydrophobicContact CD1-CB 3.91Å; L491-M517 HydrophobicContact CD1-CE 4.17Å; V513-M517 HydrophobicContact CG1-CG 4.44Å; V513-M517 HydrophobicContact CG1-SD 4.24Å; V513-M517 WeakPolarHBondContact O-CG 3.13Å; V513-M517 PolarHBondContact O-N 3.34Å; W514-M517 PolarHBondContact O-N 3.21Å; M517-T521 PolarHBondContact O-N 3.3Å; M517-T521 PolarHBondContact O-OG1 3.43Å |
| 518 | L | 87.3 | Confident | 78.7 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 172.9 | -74.3 | 163.9 | 0 | 0 | 0 | 111.5 | L491 W514 E515 S516 T521 E522 L535 | L491-L518 HydrophobicContact CB-CD2 3.81Å; W514-L518 HydrophobicContact CD2-CD1 4.15Å; W514-L518 HydrophobicContact CG-CD1 4.09Å; W514-L518 HydrophobicContact CZ2-CD1 4.16Å; W514-L518 HydrophobicContact CZ2-CD2 4.34Å; W514-L518 WeakPolarHBondContact O-CD1 3.43Å; W514-L518 VanDerWaalsContact O-CG 3.3Å; W514-L518 WeakPolarHBondContact O-CG 3.28Å; W514-L518 PolarHBondContact O-N 2.95Å; E515-L518 PolarHBondContact O-N 3.22Å; S516-L518 VanDerWaalsContact C-N 3.33Å; S516-L518 PolarHBondContact O-N 2.94Å; L518-T521 WeakPolarHBondContact O-CB 3.31Å; L518-T521 PolarHBondContact O-N 3.01Å; L518-E522 PolarHBondContact O-N 3.47Å; L518-L535 HydrophobicContact CB-CD1 4.19Å; L518-L535 HydrophobicContact CD1-CD1 3.58Å; L518-L535 HydrophobicContact CD2-CD1 4Å; L518-L535 HydrophobicContact CD2-CD2 3.79Å; L518-L535 HydrophobicContact CG-CD1 4.13Å |
| 519 | K | 83.6 | Confident | 76.6 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.1 | -70.6 | 172.3 | -176.3 | 175.1 | 0 | 112.4 | E515 S516 T521 E522 E523 | E515-K519 WeakPolarHBondContact O-CG 3Å; E515-K519 PolarHBondContact O-N 3.33Å; E515-K519 VanDerWaalsContact O-N 3.12Å; S516-K519 PolarHBondContact O-N 3.15Å; K519-T521 PolarHBondContact O-N 3.04Å; K519-E522 WeakPolarHBondContact O-CB 3.36Å; K519-E522 PolarHBondContact O-N 3.03Å; K519-E523 PolarHBondContact O-N 2.83Å |
| 520 | A | 80.6 | Confident | 74.1 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -32.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S516 E522 E523 E524 | S516-A520 PolarHBondContact O-N 3.15Å; A520-E522 VanDerWaalsContact C-N 3.31Å; A520-E522 PolarHBondContact O-N 3.41Å; A520-E523 PolarHBondContact O-N 2.88Å; A520-E524 WeakPolarHBondContact O-CG 3Å; A520-E524 PolarHBondContact O-N 3.45Å |
| 521 | T | 72.6 | Confident | 71.9 | Confident | 8 Ų | 8 | 84.3 Ų | 84.3 | 5% | 0.049 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.2 | -31 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | T490 M517 L518 K519 | T490-T521 HydrophobicContact CG2-CG2 3.94Å; M517-T521 PolarHBondContact O-N 3.3Å; M517-T521 PolarHBondContact O-OG1 3.43Å; L518-T521 WeakPolarHBondContact O-CB 3.31Å; L518-T521 PolarHBondContact O-N 3.01Å; K519-T521 PolarHBondContact O-N 3.04Å |
| 522 | E | 66.1 | Low | 70.2 | Confident | 75 Ų | 75 | 89.4 Ų | 89.4 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 175.2 | -64.3 | 174.7 | -170.2 | 0 | 0 | 111.1 | L518 K519 A520 I533 | L518-E522 PolarHBondContact O-N 3.47Å; K519-E522 WeakPolarHBondContact O-CB 3.36Å; K519-E522 PolarHBondContact O-N 3.03Å; A520-E522 VanDerWaalsContact C-N 3.31Å; A520-E522 PolarHBondContact O-N 3.41Å; E522-I533 HydrophobicContact CG-CD1 3.46Å; E522-I533 VanDerWaalsContact CG-CD1 3.46Å; E522-I533 HydrophobicContact CG-CG1 4.35Å; E522-I533 WeakPolarHBondContact OE1-CD1 3.27Å; E522-I533 VanDerWaalsContact OE1-CG1 3.28Å; E522-I533 WeakPolarHBondContact OE1-CG1 3.29Å |
| 523 | E | 63.5 | Low | 68.8 | Low | 158 Ų | 158 | 88 Ų | 88 | 74% | 0.738 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69 | -42.5 | -178.3 | -65.3 | 177.6 | -178.1 | 0 | 0 | 112.6 | K519 A520 K525 E526 | K519-E523 PolarHBondContact O-N 2.83Å; A520-E523 PolarHBondContact O-N 2.88Å; E523-K525 VanDerWaalsContact C-N 3.28Å; E523-K525 PolarHBondContact O-N 2.81Å; E523-E526 PolarHBondContact O-N 2.64Å |
| 524 | E | 61.5 | Low | 67.6 | Low | 132 Ų | 132 | 90.8 Ų | 90.8 | 62% | 0.617 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.5 | -28.8 | -176.6 | -82.9 | 178.5 | -179.5 | 0 | 0 | 114.4 | K479 A520 | K479-E524 IonicContact NZ-OE1 3.74Å; K479-E524 PolarHBondContact NZ-OE1 3.21Å; K479-E524 IonicContact NZ-OE2 2.92Å; K479-E524 PolarHBondContact NZ-OE2 3.35Å; A520-E524 WeakPolarHBondContact O-CG 3Å; A520-E524 PolarHBondContact O-N 3.45Å |
| 525 | K | 55.8 | Low | 66.6 | Low | 86 Ų | 86 | 92.2 Ų | 92.2 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.5 | -173.2 | -75.3 | -164.3 | 171.9 | -170.6 | 0 | 114.3 | N488 T490 E523 L527 | N488-K525 PolarHBondContact O-NZ 2.84Å; T490-K525 HydrophobicContact CG2-CD 4.26Å; T490-K525 VanDerWaalsContact CG2-CE 3.48Å; E523-K525 VanDerWaalsContact C-N 3.28Å; E523-K525 PolarHBondContact O-N 2.81Å; K525-L527 HydrophobicContact CB-CB 4.17Å; K525-L527 HydrophobicContact CB-CD1 3.43Å; K525-L527 VanDerWaalsContact CB-CD1 3.43Å; K525-L527 HydrophobicContact CB-CG 3.62Å; K525-L527 HydrophobicContact CD-CD1 3.69Å; K525-L527 HydrophobicContact CG-CD1 4.16Å; K525-L527 PolarHBondContact O-N 3.41Å |
| 526 | E | 51.8 | Low | 65.7 | Low | 179 Ų | 179 | 87.4 Ų | 87.4 | 84% | 0.836 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 28.7 | -168.8 | -65.3 | -170.9 | 162.4 | 0 | 0 | 112 | E523 Q528 | E523-E526 PolarHBondContact O-N 2.64Å; E526-Q528 PolarHBondContact O-N 3.16Å |
| 527 | L | 50.2 | Low | 65.3 | Low | 74 Ų | 74 | 86.1 Ų | 86.1 | 39% | 0.387 | 42% | 0.419 | S | S | . | . | trans | -79.2 | 76.2 | -178.3 | -85.8 | 169.6 | 0 | 0 | 0 | 106.6 | K525 W529 | K525-L527 HydrophobicContact CB-CB 4.17Å; K525-L527 HydrophobicContact CB-CD1 3.43Å; K525-L527 VanDerWaalsContact CB-CD1 3.43Å; K525-L527 HydrophobicContact CB-CG 3.62Å; K525-L527 HydrophobicContact CD-CD1 3.69Å; K525-L527 HydrophobicContact CG-CD1 4.16Å; K525-L527 PolarHBondContact O-N 3.41Å; L527-W529 VanDerWaalsContact CB-NE1 3.34Å; L527-W529 HydrophobicContact CD1-CZ2 4.11Å; L527-W529 PolarHBondContact O-N 2.77Å | ||
| 528 | Q | 43.1 | Very low | 65.4 | Low | 185 Ų | 185 | 86.1 Ų | 86.1 | 86% | 0.864 | 42% | 0.419 | S | S | * | . | trans | -67.8 | 76.9 | 164.1 | -69.9 | -172.1 | -2.2 | 0 | 0 | 107.6 | E526 E530 | E526-Q528 PolarHBondContact O-N 3.16Å; Q528-E530 PolarHBondContact O-N 2.62Å; Q528-E530 VanDerWaalsContact O-N 3.15Å | ||
| 529 | W | 49.4 | Very low | 65.8 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 24% | 0.235 | 42% | 0.417 | C | S | . | . | trans | -66.1 | 119.8 | 171.4 | -64.2 | -3.9 | 0 | 0 | 0 | 107.2 | A492 L527 S531 I533 P563 A564 | A492-W529 HydrophobicContact CB-CH2 4.26Å; L527-W529 VanDerWaalsContact CB-NE1 3.34Å; L527-W529 HydrophobicContact CD1-CZ2 4.11Å; L527-W529 PolarHBondContact O-N 2.77Å; W529-S531 VanDerWaalsContact CB-O 3.26Å; W529-S531 WeakPolarHBondContact CB-O 3.37Å; W529-S531 PolarHBondContact O-N 2.8Å; W529-I533 HydrophobicContact CD2-CD1 4.07Å; W529-I533 HydrophobicContact CD2-CG1 4.15Å; W529-I533 HydrophobicContact CE3-CB 3.9Å; W529-I533 HydrophobicContact CE3-CD1 3.45Å; W529-I533 VanDerWaalsContact CE3-CD1 3.45Å; W529-I533 HydrophobicContact CE3-CG1 3.19Å; W529-I533 HydrophobicContact CE3-CG2 4.38Å; W529-I533 HydrophobicContact CH2-CB 4.23Å; W529-I533 HydrophobicContact CH2-CD1 3.12Å; W529-I533 HydrophobicContact CH2-CG1 3.74Å; W529-I533 HydrophobicContact CH2-CG2 3.86Å; W529-I533 HydrophobicContact CZ2-CD1 3.82Å; W529-I533 HydrophobicContact CZ3-CB 3.39Å; W529-I533 HydrophobicContact CZ3-CD1 3Å; W529-I533 HydrophobicContact CZ3-CG1 3.01Å; W529-I533 HydrophobicContact CZ3-CG2 3.39Å; W529-P563 HydrophobicContact CH2-CB 3.8Å; W529-P563 HydrophobicContact CH2-CG 4.2Å; W529-P563 HydrophobicContact CZ3-CB 4.2Å; W529-A564 HydrophobicContact CD2-CB 4.18Å; W529-A564 HydrophobicContact CE3-CB 3.85Å; W529-A564 HydrophobicContact CZ3-CB 4.11Å | ||
| 530 | E | 42.9 | Very low | 66.5 | Low | 209 Ų | 209 | 79.9 Ų | 79.9 | 98% | 0.977 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -62.7 | -5.5 | 170.5 | -65.1 | -177.5 | 158.1 | 0 | 0 | 111.7 | Q528 | Q528-E530 PolarHBondContact O-N 2.62Å; Q528-E530 VanDerWaalsContact O-N 3.15Å |
| 531 | S | 50.1 | Low | 67.3 | Low | 65 Ų | 65 | 78 Ų | 78 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -138.7 | 145.6 | -176.8 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | W529 | W529-S531 VanDerWaalsContact CB-O 3.26Å; W529-S531 WeakPolarHBondContact CB-O 3.37Å; W529-S531 PolarHBondContact O-N 2.8Å |
| 532 | E | 60.8 | Low | 68.5 | Low | 178 Ų | 178 | 77.9 Ų | 77.9 | 83% | 0.832 | 38% | 0.376 | S | S | * | . | trans | -61.7 | 127.5 | -177.7 | -165.3 | 176.7 | -169.9 | 0 | 0 | 112.4 | K534 | E532-K534 PolarHBondContact O-N 2.75Š| ||
| 533 | I | 63.8 | Low | 69.9 | Low | 24 Ų | 24 | 74.4 Ų | 74.4 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | trans | -60.4 | 126.7 | 177 | -40.6 | -148.4 | 0 | 0 | 0 | 109.7 | E522 W529 L535 | E522-I533 HydrophobicContact CG-CD1 3.46Å; E522-I533 VanDerWaalsContact CG-CD1 3.46Å; E522-I533 HydrophobicContact CG-CG1 4.35Å; E522-I533 WeakPolarHBondContact OE1-CD1 3.27Å; E522-I533 VanDerWaalsContact OE1-CG1 3.28Å; E522-I533 WeakPolarHBondContact OE1-CG1 3.29Å; W529-I533 HydrophobicContact CD2-CD1 4.07Å; W529-I533 HydrophobicContact CD2-CG1 4.15Å; W529-I533 HydrophobicContact CE3-CB 3.9Å; W529-I533 HydrophobicContact CE3-CD1 3.45Å; W529-I533 VanDerWaalsContact CE3-CD1 3.45Å; W529-I533 HydrophobicContact CE3-CG1 3.19Å; W529-I533 HydrophobicContact CE3-CG2 4.38Å; W529-I533 HydrophobicContact CH2-CB 4.23Å; W529-I533 HydrophobicContact CH2-CD1 3.12Å; W529-I533 HydrophobicContact CH2-CG1 3.74Å; W529-I533 HydrophobicContact CH2-CG2 3.86Å; W529-I533 HydrophobicContact CZ2-CD1 3.82Å; W529-I533 HydrophobicContact CZ3-CB 3.39Å; W529-I533 HydrophobicContact CZ3-CD1 3Å; W529-I533 HydrophobicContact CZ3-CG1 3.01Å; W529-I533 HydrophobicContact CZ3-CG2 3.39Å; I533-L535 HydrophobicContact CB-CG 4.12Å; I533-L535 HydrophobicContact CG2-CD1 4.29Å; I533-L535 HydrophobicContact CG2-CD2 3.42Å; I533-L535 VanDerWaalsContact CG2-CD2 3.42Å; I533-L535 HydrophobicContact CG2-CG 3.45Å; I533-L535 VanDerWaalsContact CG2-CG 3.45Å; I533-L535 PolarHBondContact O-N 2.98Å | ||
| 534 | K | 70.8 | Confident | 71.5 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | trans | -90.4 | 88.2 | 172 | -64.9 | 175.5 | -159.2 | 158 | 0 | 110.3 | E532 R566 | E532-K534 PolarHBondContact O-N 2.75Å; K534-R566 HydrophobicContact CB-CB 4.47Å; K534-R566 VanDerWaalsContact CD-O 3.27Å; K534-R566 WeakPolarHBondContact CD-O 3.39Å; K534-R566 PolarHBondContact NZ-O 3.3Å | ||
| 535 | L | 72.5 | Confident | 73.2 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 146.7 | -178 | -67.6 | 168.3 | 0 | 0 | 0 | 113 | A492 L518 I533 H583 | A492-L535 HydrophobicContact CB-CD2 4.39Å; L518-L535 HydrophobicContact CB-CD1 4.19Å; L518-L535 HydrophobicContact CD1-CD1 3.58Å; L518-L535 HydrophobicContact CD2-CD1 4Å; L518-L535 HydrophobicContact CD2-CD2 3.79Å; L518-L535 HydrophobicContact CG-CD1 4.13Å; I533-L535 HydrophobicContact CB-CG 4.12Å; I533-L535 HydrophobicContact CG2-CD1 4.29Å; I533-L535 HydrophobicContact CG2-CD2 3.42Å; I533-L535 VanDerWaalsContact CG2-CD2 3.42Å; I533-L535 HydrophobicContact CG2-CG 3.45Å; I533-L535 VanDerWaalsContact CG2-CG 3.45Å; I533-L535 PolarHBondContact O-N 2.98Å; L535-H583 PolarHBondContact O-CE1 2.84Å |
| 536 | A | 73.4 | Confident | 75.2 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | V495 V585 | V495-A536 WeakPolarHBondContact O-CB 3.3Å; A536-V585 HydrophobicContact CB-CG2 4.49Å |
| 537 | P | 80.5 | Confident | 77.3 | Confident | 45 Ų | 45 | 51 Ų | 51 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 139.5 | 179.4 | 31.9 | -31.6 | 0 | 0 | 0 | 109.9 | L539 H583 | P537-L539 PolarHBondContact O-N 2.62Å; P537-H583 VanDerWaalsContact CD-ND1 3.27Å; P537-H583 WeakPolarHBondContact CD-ND1 3.36Å; P537-H583 HydrophobicContact CG-CB 4.38Å; P537-H583 VanDerWaalsContact CG-ND1 3.29Å; P537-H583 WeakPolarHBondContact CG-ND1 3.37Å |
| 538 | L | 93.6 | Very high | 79.5 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 111.8 | 169.1 | -175.1 | 67.1 | 0 | 0 | 0 | 109.4 | A497 C499 V510 W514 I540 L554 | A497-L538 HydrophobicContact CB-CD1 3.63Å; C499-L538 HydrophobicContact CB-CD1 3.77Å; C499-L538 HydrophobicContact CB-CD2 4.36Å; C499-L538 HydrophobicContact CB-CG 4.15Å; V510-L538 HydrophobicContact CG1-CD2 4.33Å; W514-L538 HydrophobicContact CB-CD2 3.71Å; W514-L538 HydrophobicContact CD2-CD1 4.18Å; W514-L538 HydrophobicContact CD2-CD2 4.24Å; W514-L538 HydrophobicContact CE3-CD1 4.41Å; W514-L538 HydrophobicContact CG-CB 4.23Å; W514-L538 HydrophobicContact CG-CD1 4.48Å; W514-L538 HydrophobicContact CG-CD2 3.73Å; W514-L538 HydrophobicContact CG-CG 4.37Å; L538-I540 HydrophobicContact CD2-CD1 3.91Å; L538-I540 HydrophobicContact CD2-CG1 3.9Å; L538-I540 HydrophobicContact CG-CD1 4.41Å; L538-I540 HydrophobicContact CG-CG1 3.91Å; L538-L554 HydrophobicContact CD1-CD1 3.93Å |
| 539 | L | 95.9 | Very high | 81.9 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 118.3 | 171.6 | -172.9 | 162.4 | 0 | 0 | 0 | 108.3 | A497 C499 P537 V541 F641 | A497-L539 WeakPolarHBondContact O-CB 3.37Å; A497-L539 PolarHBondContact O-N 3.27Å; C499-L539 PolarHBondContact N-O 3.2Å; P537-L539 PolarHBondContact O-N 2.62Å; L539-V541 HydrophobicContact CD2-CG1 3.41Å; L539-V541 VanDerWaalsContact CD2-CG1 3.41Å; L539-F641 HydrophobicContact CD1-CD2 3.98Å; L539-F641 HydrophobicContact CD1-CE2 3.98Å; L539-F641 HydrophobicContact CD2-CD2 3.79Å; L539-F641 HydrophobicContact CD2-CE2 3.76Å |
| 540 | I | 97.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.2 | 177.7 | -57.7 | 176.5 | 0 | 0 | 0 | 109.3 | C499 I501 V507 V510 R511 L538 P680 | C499-I540 HydrophobicContact CB-CG1 4.18Å; C499-I540 CarbonylContact O-C 3.58Å; C499-I540 VanDerWaalsContact O-CA 3.29Å; C499-I540 WeakPolarHBondContact O-CA 3.32Å; I501-I540 HydrophobicContact CD1-CG2 3.67Å; I501-I540 HydrophobicContact CG1-CG2 3.96Å; I501-I540 HydrophobicContact CG2-CG2 4.25Å; V507-I540 HydrophobicContact CG1-CD1 4.33Å; V507-I540 HydrophobicContact CG2-CG2 4.18Å; V510-I540 HydrophobicContact CB-CD1 4.44Å; V510-I540 HydrophobicContact CG1-CD1 4.1Å; R511-I540 HydrophobicContact CG-CD1 3.46Å; R511-I540 VanDerWaalsContact CG-CD1 3.46Å; L538-I540 HydrophobicContact CD2-CD1 3.91Å; L538-I540 HydrophobicContact CD2-CG1 3.9Å; L538-I540 HydrophobicContact CG-CD1 4.41Å; L538-I540 HydrophobicContact CG-CG1 3.91Å; I540-P680 HydrophobicContact CB-CG 3.99Å; I540-P680 HydrophobicContact CG2-CG 4.35Å; I540-P680 WeakPolarHBondContact O-CD 3.46Å; I540-P680 WeakPolarHBondContact O-CG 3.41Å |
| 541 | V | 97.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146 | 171.8 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | C499 Y500 I501 L539 I543 F641 V676 L679 | C499-V541 PolarHBondContact O-N 2.8Å; Y500-V541 HydrophobicContact CD1-CG2 3.25Å; Y500-V541 HydrophobicContact CE1-CG2 3.66Å; Y500-V541 HydrophobicContact CG-CG2 4.06Å; I501-V541 WeakPolarHBondContact CG1-O 3.41Å; I501-V541 PolarHBondContact N-O 3.19Å; L539-V541 HydrophobicContact CD2-CG1 3.41Å; L539-V541 VanDerWaalsContact CD2-CG1 3.41Å; V541-I543 HydrophobicContact CG2-CG2 4.06Å; V541-F641 HydrophobicContact CG1-CB 3.84Å; V541-F641 HydrophobicContact CG1-CD1 3.79Å; V541-F641 HydrophobicContact CG1-CD2 3.98Å; V541-F641 HydrophobicContact CG1-CE1 4.3Å; V541-F641 HydrophobicContact CG1-CE2 4.45Å; V541-F641 HydrophobicContact CG1-CG 3.6Å; V541-F641 HydrophobicContact CG2-CD1 4.43Å; V541-F641 HydrophobicContact CG2-CE1 4.41Å; V541-V676 HydrophobicContact CB-CG1 4.13Å; V541-V676 HydrophobicContact CG1-CG1 4.45Å; V541-V676 HydrophobicContact CG2-CG1 4.47Å; V541-L679 HydrophobicContact CB-CD2 4.29Å; V541-L679 HydrophobicContact CG1-CD2 3.64Å |
| 542 | V | 97.3 | Very high | 89 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.7 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | I501 H504 L677 D678 | I501-V542 HydrophobicContact CD1-CG2 4.2Å; I501-V542 HydrophobicContact CG1-CG2 4.05Å; I501-V542 CarbonylContact O-C 3.59Å; I501-V542 VanDerWaalsContact O-CA 3.3Å; I501-V542 WeakPolarHBondContact O-CA 3.41Å; H504-V542 HydrophobicContact CB-CG2 4.23Å; V542-L677 HydrophobicContact CG1-CB 4.4Å; V542-L677 WeakPolarHBondContact O-CB 3.35Å; V542-L677 PolarHBondContact O-N 3.16Å; V542-D678 HydrophobicContact CB-CB 3.86Å; V542-D678 HydrophobicContact CG2-CB 3.97Å; V542-D678 PolarHBondContact N-O 3.06Å; V542-D678 PolarHBondContact O-N 3.45Å |
| 543 | I | 97.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -125.7 | 164.9 | -176.2 | 56.7 | 157.8 | 0 | 0 | 0 | 111.6 | V387 Q388 Y500 I501 T502 V541 A545 L546 V676 | V387-I543 HydrophobicContact CB-CD1 3.63Å; V387-I543 HydrophobicContact CG1-CD1 4.15Å; V387-I543 HydrophobicContact CG2-CD1 4.2Å; Q388-I543 WeakPolarHBondContact O-CB 3.43Å; Y500-I543 HydrophobicContact CD1-CD1 4.28Å; Y500-I543 HydrophobicContact CD1-CG2 4.14Å; Y500-I543 HydrophobicContact CG-CD1 4.4Å; I501-I543 WeakPolarHBondContact O-CG1 3.43Å; I501-I543 PolarHBondContact O-N 3.44Å; T502-I543 WeakPolarHBondContact CA-O 3.48Å; V541-I543 HydrophobicContact CG2-CG2 4.06Å; I543-A545 WeakPolarHBondContact CD1-O 3.38Å; I543-L546 HydrophobicContact CD1-CD2 3.46Å; I543-L546 VanDerWaalsContact CD1-CD2 3.46Å; I543-L546 HydrophobicContact CD1-CG 3.86Å; I543-V676 HydrophobicContact CG2-CG1 4.22Å | ||
| 544 | P | 96.5 | Very high | 92.4 | Very high | 43 Ų | 43 | 26.3 Ų | 26.3 | 28% | 0.279 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -65.9 | -44 | -175.7 | -22.6 | 34.2 | 0 | 0 | 0 | 114.7 | Q388 L677 | Q388-P544 HydrophobicContact CB-CB 4.39Å; Q388-P544 HydrophobicContact CG-CB 4.04Å; Q388-P544 HydrophobicContact CG-CG 4.21Å; Q388-P544 WeakPolarHBondContact O-CD 3.25Å; P544-L677 HydrophobicContact CB-CD1 4.24Å; P544-L677 HydrophobicContact CG-CD1 4.03Å; P544-L677 HydrophobicContact CG-CD2 4.12Å; P544-L677 HydrophobicContact CG-CG 3.95Å |
| 545 | A | 97.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 13% | 0.132 | 12% | 0.124 | C | C | . | . | trans | -159.8 | 156.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M363 Q388 I543 | M363-A545 HydrophobicContact CB-CB 4.13Å; Q388-A545 HydrophobicContact CB-CB 4.12Å; Q388-A545 WeakPolarHBondContact CB-O 3.32Å; Q388-A545 PolarHBondContact N-O 2.7Å; Q388-A545 VanDerWaalsContact N-O 3.09Å; I543-A545 WeakPolarHBondContact CD1-O 3.38Å | ||
| 546 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -117.6 | 161.7 | 174.4 | -73 | 170.8 | 0 | 0 | 0 | 110.4 | V387 T502 I543 K548 D549 A550 V552 E553 | V387-L546 HydrophobicContact CB-CD2 4.12Å; V387-L546 HydrophobicContact CG1-CD2 3.57Å; T502-L546 HydrophobicContact CG2-CD1 4.19Å; T502-L546 HydrophobicContact CG2-CG 4.13Å; I543-L546 HydrophobicContact CD1-CD2 3.46Å; I543-L546 VanDerWaalsContact CD1-CD2 3.46Å; I543-L546 HydrophobicContact CD1-CG 3.86Å; L546-K548 PolarHBondContact O-N 2.67Å; L546-D549 PolarHBondContact O-N 3.26Å; L546-D549 VanDerWaalsContact O-N 3.1Å; L546-A550 HydrophobicContact CB-CB 4Å; L546-A550 WeakPolarHBondContact CB-O 3.46Å; L546-A550 HydrophobicContact CD1-CB 4.29Å; L546-A550 WeakPolarHBondContact CD1-O 3.16Å; L546-V552 VanDerWaalsContact CD1-C 3.4Å; L546-E553 HydrophobicContact CD1-CB 3.87Å; L546-E553 HydrophobicContact CD2-CB 3.54Å; L546-E553 HydrophobicContact CD2-CG 4.43Å; L546-E553 HydrophobicContact CG-CB 4.32Å | ||
| 547 | P | 95.9 | Very high | 96 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -51.9 | 139.8 | 174 | -24.7 | 34.4 | 0 | 0 | 0 | 111.5 | M363 F366 C386 I434 I453 D549 A550 E553 | M363-P547 HydrophobicContact CE-CG 4.15Å; M363-P547 HydrophobicContact SD-CB 4.32Å; M363-P547 HydrophobicContact SD-CG 3.98Å; F366-P547 HydrophobicContact CE2-CB 4.42Å; F366-P547 HydrophobicContact CE2-CG 4.29Å; C386-P547 WeakPolarHBondContact O-CD 3.21Å; C386-P547 WeakPolarHBondContact O-CG 3.46Å; I434-P547 HydrophobicContact CD1-CB 3.72Å; I453-P547 HydrophobicContact CD1-CB 4.34Å; P547-D549 PolarHBondContact O-N 3.08Å; P547-D549 VanDerWaalsContact O-N 3.16Å; P547-A550 PolarHBondContact O-N 3.16Å; P547-E553 WeakPolarHBondContact CD-OE2 3.44Å |
| 548 | K | 94.8 | Very high | 96.8 | Very high | 127 Ų | 127 | 18.1 Ų | 18.1 | 55% | 0.552 | 10% | 0.097 | S | C | * | . | G | 310 helix | trans | 61.8 | 13.4 | -179 | -59.9 | -70.2 | -170.7 | 174.4 | 0 | 115.3 | I434 I453 L462 L546 A550 | I434-K548 HydrophobicContact CD1-CG 4.14Å; I453-K548 HydrophobicContact CD1-CB 4.24Å; I453-K548 HydrophobicContact CD1-CG 4.19Å; L462-K548 HydrophobicContact CD1-CB 4.18Å; L462-K548 WeakPolarHBondContact CD1-O 3.18Å; L462-K548 HydrophobicContact CG-CB 4.31Å; L546-K548 PolarHBondContact O-N 2.67Å; K548-A550 VanDerWaalsContact C-N 3.34Å |
| 549 | D | 94.6 | Very high | 96.8 | Very high | 140 Ų | 140 | 17 Ų | 17 | 75% | 0.749 | 9% | 0.091 | S | C | * | . | G | 310 helix | trans | 67.8 | 27.6 | -174.2 | -53.9 | -52.2 | 0 | 0 | 0 | 114.3 | L546 P547 | L546-D549 PolarHBondContact O-N 3.26Å; L546-D549 VanDerWaalsContact O-N 3.1Å; P547-D549 PolarHBondContact O-N 3.08Å; P547-D549 VanDerWaalsContact O-N 3.16Å |
| 550 | A | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -58.8 | 151.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I453 P454 L462 T502 L546 P547 K548 | I453-A550 HydrophobicContact CB-CB 3.99Å; I453-A550 HydrophobicContact CG2-CB 3.85Å; P454-A550 HydrophobicContact CG-CB 4.48Å; L462-A550 HydrophobicContact CD1-CB 4.32Å; L462-A550 HydrophobicContact CD2-CB 3.94Å; T502-A550 WeakPolarHBondContact CG2-O 3.46Å; L546-A550 HydrophobicContact CB-CB 4Å; L546-A550 WeakPolarHBondContact CB-O 3.46Å; L546-A550 HydrophobicContact CD1-CB 4.29Å; L546-A550 WeakPolarHBondContact CD1-O 3.16Å; P547-A550 PolarHBondContact O-N 3.16Å; K548-A550 VanDerWaalsContact C-N 3.34Å | ||
| 551 | A | 96.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 6% | 0.058 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -83.5 | -27.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T467 E470 I501 T502 | T467-A551 HydrophobicContact CG2-CB 4.25Å; E470-A551 VanDerWaalsContact OE2-CB 3.26Å; E470-A551 WeakPolarHBondContact OE2-CB 3.34Å; E470-A551 PolarHBondContact OE2-N 3.09Å; I501-A551 VanDerWaalsContact CA-O 3.28Å; I501-A551 WeakPolarHBondContact CA-O 3.42Å; T502-A551 PolarHBondContact N-O 3.37Å; T502-A551 VanDerWaalsContact N-O 3.16Å |
| 552 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.4 | -173.2 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | P454 T467 A471 F475 Y500 I501 V510 L546 | P454-V552 WeakPolarHBondContact CD-O 3.47Å; T467-V552 HydrophobicContact CG2-CG2 3.57Å; A471-V552 HydrophobicContact CB-CG1 4.44Å; A471-V552 HydrophobicContact CB-CG2 4.3Å; F475-V552 HydrophobicContact CE1-CG1 4.13Å; Y500-V552 CarbonylContact O-C 3.6Å; Y500-V552 WeakPolarHBondContact O-CA 3.38Å; I501-V552 HydrophobicContact CG2-CG1 4.41Å; I501-V552 HydrophobicContact CG2-CG2 4.14Å; V510-V552 HydrophobicContact CG2-CG2 3.97Å; L546-V552 VanDerWaalsContact CD1-C 3.4Å |
| 553 | E | 98.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.2 | 167.3 | -179.2 | 176 | 128.6 | 0 | 0 | 109.8 | V387 G451 Q452 I453 C499 Y500 L546 P547 | V387-E553 WeakPolarHBondContact CG1-OE1 3.46Å; G451-E553 WeakPolarHBondContact CA-OE1 3.45Å; Q452-E553 WeakPolarHBondContact O-CA 3.34Å; I453-E553 HydrophobicContact CG2-CB 3.83Å; I453-E553 HydrophobicContact CG2-CG 3.94Å; C499-E553 WeakPolarHBondContact CA-O 3.4Å; Y500-E553 PolarHBondContact N-O 2.74Å; Y500-E553 PolarHBondContact O-N 3.31Å; L546-E553 HydrophobicContact CD1-CB 3.87Å; L546-E553 HydrophobicContact CD2-CB 3.54Å; L546-E553 HydrophobicContact CD2-CG 4.43Å; L546-E553 HydrophobicContact CG-CB 4.32Å; P547-E553 WeakPolarHBondContact CD-OE2 3.44Å |
| 554 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.7 | 176.5 | -176.3 | 65.3 | 0 | 0 | 0 | 111.5 | Q452 F475 V478 A497 C499 W514 L538 V556 | Q452-L554 PolarHBondContact N-O 3.06Å; Q452-L554 PolarHBondContact O-N 2.94Å; Q452-L554 VanDerWaalsContact O-N 3.1Å; F475-L554 HydrophobicContact CB-CD2 4.31Å; F475-L554 HydrophobicContact CD1-CB 3.75Å; F475-L554 HydrophobicContact CD1-CD2 3.31Å; F475-L554 HydrophobicContact CD1-CG 4.01Å; F475-L554 HydrophobicContact CE1-CB 3.79Å; F475-L554 HydrophobicContact CE1-CD1 4.14Å; F475-L554 HydrophobicContact CE1-CD2 3.77Å; F475-L554 HydrophobicContact CE1-CG 4.09Å; F475-L554 HydrophobicContact CG-CD2 3.88Å; V478-L554 HydrophobicContact CB-CD2 4.1Å; V478-L554 HydrophobicContact CG1-CD2 4.32Å; V478-L554 HydrophobicContact CG2-CB 4.12Å; V478-L554 HydrophobicContact CG2-CD2 3.73Å; V478-L554 HydrophobicContact CG2-CG 3.98Å; A497-L554 HydrophobicContact CB-CD1 4.43Å; C499-L554 HydrophobicContact CB-CD1 4.07Å; W514-L554 HydrophobicContact CE3-CD2 4.33Å; W514-L554 HydrophobicContact CZ3-CD2 3.76Å; L538-L554 HydrophobicContact CD1-CD1 3.93Å; L554-V556 HydrophobicContact CD1-CG1 4.14Å; L554-V556 HydrophobicContact CD2-CG1 4.03Å; L554-V556 HydrophobicContact CG-CG1 3.94Å |
| 555 | H | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137.8 | 167.6 | 163.2 | 69.4 | 0 | 0 | 0 | 109.7 | H357 V385 C449 A497 H498 | H357-H555 AromaticContact CE1-CD2 3.83Å; H357-H555 AromaticContact CE1-NE2 3.84Å; H357-H555 AromaticContact NE2-NE2 3.79Å; V385-H555 HydrophobicContact CG2-CB 3.64Å; V385-H555 WeakPolarHBondContact CG2-ND1 3.5Å; C449-H555 PolarHBondContact O-CE1 3.09Å; C449-H555 PolarHBondContact O-ND1 2.91Å; A497-H555 WeakPolarHBondContact CA-O 3.44Å; H498-H555 HydrophobicContact CB-CB 4.48Å; H498-H555 PolarHBondContact N-O 3.4Å; H498-H555 AromaticContact ND1-CD2 3.7Å; H498-H555 PolarHBondContact O-N 2.81Å |
| 556 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.6 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | C449 V478 L482 V494 Q496 A497 L554 | C449-V556 HydrophobicContact CB-CG2 3.85Å; C449-V556 PolarHBondContact N-O 3.01Å; V478-V556 HydrophobicContact CG1-CB 4.36Å; V478-V556 HydrophobicContact CG1-CG1 3.99Å; V478-V556 HydrophobicContact CG1-CG2 3.39Å; L482-V556 HydrophobicContact CD1-CG2 4.45Å; L482-V556 HydrophobicContact CD2-CG2 4.44Å; V494-V556 HydrophobicContact CG1-CB 3.86Å; V494-V556 HydrophobicContact CG1-CG1 3.94Å; V494-V556 HydrophobicContact CG2-CB 3.97Å; V494-V556 HydrophobicContact CG2-CG1 4.09Å; V494-V556 HydrophobicContact CG2-CG2 4.09Å; Q496-V556 CarbonylContact O-C 3.56Å; Q496-V556 VanDerWaalsContact O-CA 3.26Å; Q496-V556 WeakPolarHBondContact O-CA 3.11Å; A497-V556 HydrophobicContact CB-CG1 4.1Å; L554-V556 HydrophobicContact CD1-CG1 4.14Å; L554-V556 HydrophobicContact CD2-CG1 4.03Å; L554-V556 HydrophobicContact CG-CG1 3.94Å |
| 557 | T | 96.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.2 | 160.9 | -57.6 | 0 | 0 | 0 | 0 | 107.9 | V447 F448 V495 Q496 | V447-T557 WeakPolarHBondContact O-CA 3.33Å; F448-T557 HydrophobicContact CD1-CG2 3.73Å; F448-T557 HydrophobicContact CE1-CG2 3.62Å; V495-T557 HydrophobicContact CG2-CG2 4.18Å; V495-T557 VanDerWaalsContact CG2-O 3.29Å; V495-T557 WeakPolarHBondContact CG2-O 3.44Å; V495-T557 PolarHBondContact N-O 3.37Å; Q496-T557 PolarHBondContact N-O 2.91Å; Q496-T557 PolarHBondContact O-N 3.5Å |
| 558 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 154.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L446 V447 L482 H493 V494 | L446-A558 WeakPolarHBondContact CA-O 3.35Å; V447-A558 PolarHBondContact N-O 2.83Å; V447-A558 PolarHBondContact O-N 3.41Å; L482-A558 HydrophobicContact CD1-CB 4.5Å; L482-A558 HydrophobicContact CD2-CB 3.61Å; H493-A558 WeakPolarHBondContact O-CA 3.21Å; V494-A558 HydrophobicContact CG2-CB 4.43Å |
| 559 | V | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.5 | 174.1 | 64.4 | 0 | 0 | 0 | 0 | 109 | E445 L446 H493 V495 D561 R566 | E445-V559 HydrophobicContact CB-CG2 4.4Å; E445-V559 CarbonylContact O-C 3.59Å; E445-V559 WeakPolarHBondContact O-CA 3.34Å; L446-V559 HydrophobicContact CD2-CB 3.89Å; L446-V559 HydrophobicContact CD2-CG2 4.05Å; L446-V559 HydrophobicContact CG-CG2 4.46Å; H493-V559 WeakPolarHBondContact CB-O 3.27Å; H493-V559 PolarHBondContact O-N 3.16Å; H493-V559 VanDerWaalsContact O-N 3.17Å; V495-V559 HydrophobicContact CG1-CG1 3.53Å; V559-D561 HydrophobicContact CG1-CB 4.19Å; V559-D561 HydrophobicContact CG2-CB 4.42Å; V559-D561 PolarHBondContact O-N 2.82Å; V559-R566 VanDerWaalsContact CG1-NH2 3.32Å |
| 560 | N | 93.6 | Very high | 93.4 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -79.3 | 75.1 | 174 | -175.7 | 40.5 | 0 | 0 | 0 | 109.9 | E445 I486 L489 | E445-N560 HydrophobicContact CB-CB 4.15Å; E445-N560 PolarHBondContact O-N 2.69Å; E445-N560 WeakPolarHBondContact OE2-CB 3.49Å; E445-N560 PolarHBondContact OE2-ND2 3.44Å; I486-N560 HydrophobicContact CD1-CB 3.9Å; L489-N560 HydrophobicContact CD2-CB 3.91Å |
| 561 | D | 91.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -123 | -175.9 | 173.9 | 75.4 | -21.5 | 0 | 0 | 0 | 110.4 | H493 V559 P563 R566 S587 A588 | H493-D561 PolarHBondContact CD2-O 3.39Å; H493-D561 PolarHBondContact NE2-O 3.3Å; V559-D561 HydrophobicContact CG1-CB 4.19Å; V559-D561 HydrophobicContact CG2-CB 4.42Å; V559-D561 PolarHBondContact O-N 2.82Å; D561-P563 VanDerWaalsContact O-CD 3.3Å; D561-P563 WeakPolarHBondContact O-CD 3.5Å; D561-R566 IonicContact OD1-CZ 3.79Å; D561-R566 VanDerWaalsContact OD1-CZ 3.27Å; D561-R566 IonicContact OD1-NE 3.37Å; D561-R566 PolarHBondContact OD1-NE 3.22Å; D561-R566 VanDerWaalsContact OD1-NE 3.09Å; D561-R566 IonicContact OD1-NH2 2.84Å; D561-R566 PolarHBondContact OD1-NH2 3.44Å; D561-R566 WeakPolarHBondContact OD2-CG 3.26Å; D561-R566 IonicContact OD2-CZ 3.52Å; D561-R566 IonicContact OD2-NE 2.76Å; D561-R566 PolarHBondContact OD2-NE 3.03Å; D561-R566 IonicContact OD2-NH2 3.18Å; D561-S587 VanDerWaalsContact OD2-CA 3.27Å; D561-S587 WeakPolarHBondContact OD2-CA 3.49Å; D561-S587 WeakPolarHBondContact OD2-CB 3.44Å; D561-A588 HydrophobicContact CB-CB 4.07Å; D561-A588 PolarHBondContact OD2-N 3.22Å |
| 562 | D | 90.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | trans | -90.9 | 106.2 | 169.3 | 178.3 | -6.7 | 0 | 0 | 0 | 109.5 | A564 R565 A588 | D562-A564 PolarHBondContact O-N 3.08Å; D562-A564 VanDerWaalsContact O-N 3.15Å; D562-A564 WeakPolarHBondContact OD1-CB 3.33Å; D562-A564 PolarHBondContact OD1-N 3.11Å; D562-R565 HydrophobicContact CB-CB 4.24Å; D562-R565 HydrophobicContact CB-CG 4.26Å; D562-R565 PolarHBondContact O-N 3.06Å; D562-R565 WeakPolarHBondContact OD2-CD 3.24Å; D562-R565 VanDerWaalsContact OD2-CG 3.3Å; D562-R565 WeakPolarHBondContact OD2-CG 3.15Å; D562-A588 HydrophobicContact CB-CB 4.46Å; D562-A588 WeakPolarHBondContact O-CB 3.23Å | ||
| 563 | P | 88.3 | Confident | 92.5 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -63.7 | -23.7 | -175.4 | -20.3 | 33.3 | 0 | 0 | 0 | 113.7 | A492 W529 D561 R565 R566 | A492-P563 HydrophobicContact CB-CG 4.38Å; W529-P563 HydrophobicContact CH2-CB 3.8Å; W529-P563 HydrophobicContact CH2-CG 4.2Å; W529-P563 HydrophobicContact CZ3-CB 4.2Å; D561-P563 VanDerWaalsContact O-CD 3.3Å; D561-P563 WeakPolarHBondContact O-CD 3.5Å; P563-R565 VanDerWaalsContact C-N 3.27Å; P563-R565 PolarHBondContact O-N 3.47Å; P563-R566 WeakPolarHBondContact O-CB 3.26Å; P563-R566 PolarHBondContact O-N 3.02Å |
| 564 | A | 85.8 | Confident | 92 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -70.2 | -26.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W529 D562 | W529-A564 HydrophobicContact CD2-CB 4.18Å; W529-A564 HydrophobicContact CE3-CB 3.85Å; W529-A564 HydrophobicContact CZ3-CB 4.11Å; D562-A564 PolarHBondContact O-N 3.08Å; D562-A564 VanDerWaalsContact O-N 3.15Å; D562-A564 WeakPolarHBondContact OD1-CB 3.33Å; D562-A564 PolarHBondContact OD1-N 3.11Å |
| 565 | R | 89.4 | Confident | 91.2 | Very high | 174 Ų | 174 | 54.9 Ų | 54.9 | 66% | 0.657 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -88.6 | -3.1 | 179.3 | -71.7 | 176.3 | 59.7 | -162.4 | -6.1 | 114.1 | D562 P563 A588 | D562-R565 HydrophobicContact CB-CB 4.24Å; D562-R565 HydrophobicContact CB-CG 4.26Å; D562-R565 PolarHBondContact O-N 3.06Å; D562-R565 WeakPolarHBondContact OD2-CD 3.24Å; D562-R565 VanDerWaalsContact OD2-CG 3.3Å; D562-R565 WeakPolarHBondContact OD2-CG 3.15Å; P563-R565 VanDerWaalsContact C-N 3.27Å; P563-R565 PolarHBondContact O-N 3.47Å; R565-A588 HydrophobicContact CB-CB 3.63Å |
| 566 | R | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | trans | -61.9 | 159.4 | 177.9 | -69.5 | 179.2 | -179.5 | 175.5 | -0.1 | 111.8 | A492 H493 V494 K534 V559 D561 P563 L586 | A492-R566 PolarHBondContact O-NH1 3.29Å; H493-R566 VanDerWaalsContact C-NH2 3.33Å; H493-R566 PolarHBondContact O-NH2 3.4Å; V494-R566 PolarHBondContact O-NH1 2.96Å; K534-R566 HydrophobicContact CB-CB 4.47Å; K534-R566 VanDerWaalsContact CD-O 3.27Å; K534-R566 WeakPolarHBondContact CD-O 3.39Å; K534-R566 PolarHBondContact NZ-O 3.3Å; V559-R566 VanDerWaalsContact CG1-NH2 3.32Å; D561-R566 IonicContact OD1-CZ 3.79Å; D561-R566 VanDerWaalsContact OD1-CZ 3.27Å; D561-R566 IonicContact OD1-NE 3.37Å; D561-R566 PolarHBondContact OD1-NE 3.22Å; D561-R566 VanDerWaalsContact OD1-NE 3.09Å; D561-R566 IonicContact OD1-NH2 2.84Å; D561-R566 PolarHBondContact OD1-NH2 3.44Å; D561-R566 WeakPolarHBondContact OD2-CG 3.26Å; D561-R566 IonicContact OD2-CZ 3.52Å; D561-R566 IonicContact OD2-NE 2.76Å; D561-R566 PolarHBondContact OD2-NE 3.03Å; D561-R566 IonicContact OD2-NH2 3.18Å; P563-R566 WeakPolarHBondContact O-CB 3.26Å; P563-R566 PolarHBondContact O-N 3.02Å; R566-L586 WeakPolarHBondContact CA-O 2.89Å; R566-L586 VanDerWaalsContact CB-O 3.31Å; R566-L586 WeakPolarHBondContact CB-O 3.5Å; R566-L586 WeakPolarHBondContact CG-O 3.33Å | ||
| 567 | T | 90.1 | Very high | 89.1 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.9 | 166.7 | 65.3 | 0 | 0 | 0 | 0 | 109.7 | V585 L586 | T567-V585 WeakPolarHBondContact O-CA 3.28Å; T567-L586 PolarHBondContact N-O 3.38Å; T567-L586 PolarHBondContact O-N 3.4Å; T567-L586 WeakPolarHBondContact OG1-CB 3.22Å |
| 568 | S | 90.4 | Very high | 88.6 | Confident | 54 Ų | 54 | 60 Ų | 60 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.2 | 175 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | T584 | S568-T584 CarbonylContact C-O 3.59Å; S568-T584 WeakPolarHBondContact CA-O 3.38Å; S568-T584 WeakPolarHBondContact CB-O 3.46Å |
| 569 | R | 89.9 | Confident | 88.4 | Confident | 141 Ų | 141 | 61.4 Ų | 61.4 | 53% | 0.532 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 126.9 | 178.5 | -168 | -175.6 | 180 | 175.6 | 2.1 | 109.8 | V571 H583 T584 | R569-V571 HydrophobicContact CG-CG2 4Å; R569-H583 CarbonylContact O-C 3.13Å; R569-H583 WeakPolarHBondContact O-CA 3.29Å; R569-H583 PolarHBondContact O-CD2 2.99Å; R569-T584 WeakPolarHBondContact CB-OG1 3.33Å; R569-T584 PolarHBondContact N-O 2.84Å; R569-T584 PolarHBondContact O-N 2.77Å; R569-T584 PolarHBondContact O-OG1 3.44Å |
| 570 | H | 91.1 | Very high | 88.3 | Confident | 125 Ų | 125 | 61.7 Ų | 61.7 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.4 | 173.3 | -176.2 | -114.7 | 0 | 0 | 0 | 109.9 | C582 | H570-C582 CarbonylContact C-O 3.58Å; H570-C582 WeakPolarHBondContact CA-O 3.13Å |
| 571 | V | 90.9 | Very high | 88.3 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 119.4 | 179.8 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | R569 R581 C582 | R569-V571 HydrophobicContact CG-CG2 4Å; V571-R581 CarbonylContact O-C 3.47Å; V571-R581 WeakPolarHBondContact O-CA 3.3Å; V571-C582 PolarHBondContact N-O 3.15Å; V571-C582 PolarHBondContact O-N 3.29Å |
| 572 | A | 91.6 | Very high | 88.5 | Confident | 69 Ų | 69 | 63 Ų | 63 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | I580 R581 | A572-I580 CarbonylContact C-O 3.57Å; A572-I580 WeakPolarHBondContact CA-O 3.1Å; A572-R581 HydrophobicContact CB-CG 4.37Å |
| 573 | T | 90.1 | Very high | 88.6 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.4 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 108.7 | S579 I580 | T573-S579 WeakPolarHBondContact O-CA 3.36Å; T573-I580 PolarHBondContact N-O 3.33Å; T573-I580 PolarHBondContact O-N 3.31Å |
| 574 | K | 88 | Confident | 88.9 | Confident | 194 Ų | 194 | 62.1 Ų | 62.1 | 84% | 0.843 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.1 | 169.2 | -70.7 | -173.1 | 177.2 | -177 | 0 | 108.6 | ||
| 575 | T | 80.8 | Confident | 89.2 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 168 | 176.5 | 69.7 | 0 | 0 | 0 | 0 | 109.9 | C577 G578 I580 E617 | T575-C577 PolarHBondContact O-N 3.35Å; T575-G578 PolarHBondContact N-O 3.29Å; T575-G578 PolarHBondContact O-N 3.34Å; T575-G578 PolarHBondContact OG1-N 2.98Å; T575-G578 VanDerWaalsContact OG1-N 3.15Å; T575-G578 PolarHBondContact OG1-O 3.49Å; T575-I580 HydrophobicContact CG2-CD1 3.83Å; T575-I580 HydrophobicContact CG2-CG1 4.05Å; T575-E617 WeakPolarHBondContact CB-OE2 3.5Å; T575-E617 HydrophobicContact CG2-CB 4.46Å; T575-E617 HydrophobicContact CG2-CG 4.41Å; T575-E617 WeakPolarHBondContact CG2-OE2 3.3Å; T575-E617 PolarHBondContact OG1-OE2 3.1Å |
| 576 | A | 75.9 | Confident | 89.3 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 76% | 0.76 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 577 | C | 77 | Confident | 89.4 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 3.4 | -171.8 | -48 | 0 | 0 | 0 | 0 | 113.6 | T575 C602 L606 D610 I614 | T575-C577 PolarHBondContact O-N 3.35Å; C577-C602 PolarHBondContact O-N 3.22Å; C577-L606 HydrophobicContact CB-CD2 4.45Å; C577-D610 HydrophobicContact CB-CB 4.39Å; C577-D610 VanDerWaalsContact SG-CB 3.53Å; C577-I614 HydrophobicContact CB-CD1 3.64Å; C577-I614 HydrophobicContact CB-CG1 3.63Å |
| 578 | G | 85.5 | Confident | 89.4 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.7 | -145.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T575 V600 | T575-G578 PolarHBondContact N-O 3.29Å; T575-G578 PolarHBondContact O-N 3.34Å; T575-G578 PolarHBondContact OG1-N 2.98Å; T575-G578 VanDerWaalsContact OG1-N 3.15Å; T575-G578 PolarHBondContact OG1-O 3.49Å; G578-V600 CarbonylContact C-O 3.49Å; G578-V600 WeakPolarHBondContact CA-O 3.49Å |
| 579 | S | 91.1 | Very high | 89.2 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 135 | 172.9 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | T573 V600 | T573-S579 WeakPolarHBondContact O-CA 3.36Å; S579-V600 PolarHBondContact N-O 3.26Å; S579-V600 PolarHBondContact O-N 3.48Å |
| 580 | I | 92.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.7 | 173.2 | -62.4 | 169.9 | 0 | 0 | 0 | 108.1 | A572 T573 T575 L597 S598 M599 E617 L618 A621 | A572-I580 CarbonylContact C-O 3.57Å; A572-I580 WeakPolarHBondContact CA-O 3.1Å; T573-I580 PolarHBondContact N-O 3.33Å; T573-I580 PolarHBondContact O-N 3.31Å; T575-I580 HydrophobicContact CG2-CD1 3.83Å; T575-I580 HydrophobicContact CG2-CG1 4.05Å; I580-L597 HydrophobicContact CG2-CD1 4.19Å; I580-L597 HydrophobicContact CG2-CD2 3.8Å; I580-L597 HydrophobicContact CG2-CG 3.87Å; I580-S598 WeakPolarHBondContact CA-O 3.48Å; I580-M599 HydrophobicContact CD1-SD 4.49Å; I580-M599 HydrophobicContact CG1-SD 3.56Å; I580-M599 VanDerWaalsContact CG1-SD 3.56Å; I580-E617 HydrophobicContact CD1-CB 3.76Å; I580-L618 HydrophobicContact CD1-CD2 3.81Å; I580-L618 HydrophobicContact CD1-CG 4.26Å; I580-L618 HydrophobicContact CG1-CD2 3.94Å; I580-L618 HydrophobicContact CG2-CD2 4.42Å; I580-A621 HydrophobicContact CG2-CB 4.12Å |
| 581 | R | 94.3 | Very high | 89.1 | Confident | 99 Ų | 99 | 40.4 Ų | 40.4 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.8 | 169.5 | -57.9 | 179.6 | -168.4 | 154.6 | 3.6 | 109.1 | V571 A572 L597 S598 | V571-R581 CarbonylContact O-C 3.47Å; V571-R581 WeakPolarHBondContact O-CA 3.3Å; A572-R581 HydrophobicContact CB-CG 4.37Å; R581-L597 CarbonylContact O-C 3.51Å; R581-L597 VanDerWaalsContact O-CA 3.3Å; R581-L597 WeakPolarHBondContact O-CA 3.13Å; R581-S598 PolarHBondContact N-O 3.44Å; R581-S598 PolarHBondContact O-N 3.31Å |
| 582 | C | 94 | Very high | 89.1 | Confident | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.3 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | H570 V571 S596 A625 | H570-C582 CarbonylContact C-O 3.58Å; H570-C582 WeakPolarHBondContact CA-O 3.13Å; V571-C582 PolarHBondContact N-O 3.15Å; V571-C582 PolarHBondContact O-N 3.29Å; C582-S596 CarbonylContact C-O 3.58Å; C582-S596 WeakPolarHBondContact CA-O 3.4Å; C582-A625 VanDerWaalsContact SG-CB 3.55Å |
| 583 | H | 93.6 | Very high | 89.2 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 18% | 0.181 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.7 | 171.6 | -172.9 | -155.9 | 0 | 0 | 0 | 108.9 | L535 P537 R569 S596 | L535-H583 PolarHBondContact O-CE1 2.84Å; P537-H583 VanDerWaalsContact CD-ND1 3.27Å; P537-H583 WeakPolarHBondContact CD-ND1 3.36Å; P537-H583 HydrophobicContact CG-CB 4.38Å; P537-H583 VanDerWaalsContact CG-ND1 3.29Å; P537-H583 WeakPolarHBondContact CG-ND1 3.37Å; R569-H583 CarbonylContact O-C 3.13Å; R569-H583 WeakPolarHBondContact O-CA 3.29Å; R569-H583 PolarHBondContact O-CD2 2.99Å; H583-S596 PolarHBondContact N-O 3.32Å; H583-S596 PolarHBondContact O-N 2.94Å |
| 584 | T | 93.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.5 | 179.8 | 66.4 | 0 | 0 | 0 | 0 | 110.2 | S568 R569 S594 L595 A625 M629 | S568-T584 CarbonylContact C-O 3.59Å; S568-T584 WeakPolarHBondContact CA-O 3.38Å; S568-T584 WeakPolarHBondContact CB-O 3.46Å; R569-T584 WeakPolarHBondContact CB-OG1 3.33Å; R569-T584 PolarHBondContact N-O 2.84Å; R569-T584 PolarHBondContact O-N 2.77Å; R569-T584 PolarHBondContact O-OG1 3.44Å; T584-S594 CarbonylContact C-O 3.59Å; T584-S594 WeakPolarHBondContact CA-O 3.41Å; T584-L595 HydrophobicContact CG2-CG 4.28Å; T584-A625 HydrophobicContact CG2-CB 4.09Å; T584-M629 HydrophobicContact CG2-CE 3.09Å |
| 585 | V | 92.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.8 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | A536 T567 A593 S594 | A536-V585 HydrophobicContact CB-CG2 4.49Å; T567-V585 WeakPolarHBondContact O-CA 3.28Å; V585-A593 CarbonylContact O-C 3.55Å; V585-A593 WeakPolarHBondContact O-CA 3.33Å; V585-A593 WeakPolarHBondContact O-CB 3.47Å; V585-S594 PolarHBondContact N-O 3.46Å; V585-S594 PolarHBondContact O-N 3.28Å |
| 586 | L | 92.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 22 Ų | 22 | 11% | 0.105 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.8 | 175.3 | -179 | 66.2 | 0 | 0 | 0 | 108.6 | R566 T567 A593 E630 L633 | R566-L586 WeakPolarHBondContact CA-O 2.89Å; R566-L586 VanDerWaalsContact CB-O 3.31Å; R566-L586 WeakPolarHBondContact CB-O 3.5Å; R566-L586 WeakPolarHBondContact CG-O 3.33Å; T567-L586 PolarHBondContact N-O 3.38Å; T567-L586 PolarHBondContact O-N 3.4Å; T567-L586 WeakPolarHBondContact OG1-CB 3.22Å; L586-A593 HydrophobicContact CD1-CB 3.88Å; L586-E630 HydrophobicContact CD2-CG 4.47Å; L586-L633 HydrophobicContact CD1-CD1 3.6Å |
| 587 | S | 92 | Very high | 91.3 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | trans | -60.3 | 155.9 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | D561 D589 G590 S591 S592 | D561-S587 VanDerWaalsContact OD2-CA 3.27Å; D561-S587 WeakPolarHBondContact OD2-CA 3.49Å; D561-S587 WeakPolarHBondContact OD2-CB 3.44Å; S587-D589 VanDerWaalsContact CB-OD1 3.28Å; S587-D589 WeakPolarHBondContact CB-OD1 3.31Å; S587-D589 PolarHBondContact O-N 3.17Å; S587-D589 PolarHBondContact OG-OD1 3.35Å; S587-G590 PolarHBondContact O-N 2.77Å; S587-S591 PolarHBondContact OG-N 3.46Å; S587-S592 WeakPolarHBondContact CB-O 3.44Å; S587-S592 PolarHBondContact N-O 3.31Å; S587-S592 PolarHBondContact OG-N 2.96Å; S587-S592 PolarHBondContact OG-O 3.15Å | ||
| 588 | A | 90.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | D561 D562 R565 | D561-A588 HydrophobicContact CB-CB 4.07Å; D561-A588 PolarHBondContact OD2-N 3.22Å; D562-A588 HydrophobicContact CB-CB 4.46Å; D562-A588 WeakPolarHBondContact O-CB 3.23Å; R565-A588 HydrophobicContact CB-CB 3.63Å |
| 589 | D | 86.6 | Confident | 92.3 | Very high | 82 Ų | 82 | 17.4 Ų | 17.4 | 44% | 0.439 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.5 | 175.9 | 70.5 | -15 | 0 | 0 | 0 | 113.2 | S587 S591 | S587-D589 VanDerWaalsContact CB-OD1 3.28Å; S587-D589 WeakPolarHBondContact CB-OD1 3.31Å; S587-D589 PolarHBondContact O-N 3.17Å; S587-D589 PolarHBondContact OG-OD1 3.35Å; D589-S591 PolarHBondContact O-N 2.75Å; D589-S591 VanDerWaalsContact O-N 3.15Å; D589-S591 PolarHBondContact OD1-N 2.86Å; D589-S591 PolarHBondContact OD1-OG 3.16Å; D589-S591 VanDerWaalsContact OD1-OG 3.05Å; D589-S591 VanDerWaalsContact OD2-CB 3.29Å; D589-S591 WeakPolarHBondContact OD2-CB 3.19Å; D589-S591 PolarHBondContact OD2-OG 2.84Å |
| 590 | G | 88.9 | Confident | 92.2 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 70.8 | -1.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S587 S592 | S587-G590 PolarHBondContact O-N 2.77Å; G590-S592 PolarHBondContact O-N 2.74Å |
| 591 | S | 89.1 | Confident | 91.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -84.9 | -13.2 | -167.8 | 81.8 | 0 | 0 | 0 | 0 | 115.3 | R310 S587 D589 L693 | R310-S591 VanDerWaalsContact NH1-CB 3.26Å; R310-S591 PolarHBondContact NH1-OG 2.89Å; S587-S591 PolarHBondContact OG-N 3.46Å; D589-S591 PolarHBondContact O-N 2.75Å; D589-S591 VanDerWaalsContact O-N 3.15Å; D589-S591 PolarHBondContact OD1-N 2.86Å; D589-S591 PolarHBondContact OD1-OG 3.16Å; D589-S591 VanDerWaalsContact OD1-OG 3.05Å; D589-S591 VanDerWaalsContact OD2-CB 3.29Å; D589-S591 WeakPolarHBondContact OD2-CB 3.19Å; D589-S591 PolarHBondContact OD2-OG 2.84Å; S591-L693 PolarHBondContact O-N 3.42Å |
| 592 | S | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 143.1 | -177.6 | 163.5 | 0 | 0 | 0 | 0 | 110.2 | S587 G590 W690 L691 | S587-S592 WeakPolarHBondContact CB-O 3.44Å; S587-S592 PolarHBondContact N-O 3.31Å; S587-S592 PolarHBondContact OG-N 2.96Å; S587-S592 PolarHBondContact OG-O 3.15Å; G590-S592 PolarHBondContact O-N 2.74Å; S592-W690 PolarHBondContact OG-NE1 2.92Å; S592-L691 WeakPolarHBondContact CA-O 3.47Å |
| 593 | A | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V585 L586 M629 L633 L691 | V585-A593 CarbonylContact O-C 3.55Å; V585-A593 WeakPolarHBondContact O-CA 3.33Å; V585-A593 WeakPolarHBondContact O-CB 3.47Å; L586-A593 HydrophobicContact CD1-CB 3.88Å; A593-M629 HydrophobicContact CB-SD 3.66Å; A593-L633 HydrophobicContact CB-CD1 3.9Å; A593-L691 HydrophobicContact CB-CB 4.25Å; A593-L691 HydrophobicContact CB-CD1 4.19Å; A593-L691 PolarHBondContact N-O 3.28Å; A593-L691 PolarHBondContact O-N 3.35Å |
| 594 | S | 94 | Very high | 87 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 143.7 | 166.6 | 69.9 | 0 | 0 | 0 | 0 | 111 | V495 T584 V585 C689 | V495-S594 WeakPolarHBondContact O-CB 3.37Å; V495-S594 PolarHBondContact O-OG 2.66Å; T584-S594 CarbonylContact C-O 3.59Å; T584-S594 WeakPolarHBondContact CA-O 3.41Å; V585-S594 PolarHBondContact N-O 3.46Å; V585-S594 PolarHBondContact O-N 3.28Å; S594-C689 WeakPolarHBondContact CA-O 3.39Å |
| 595 | L | 94.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.4 | 175.2 | -176.6 | 164.9 | 0 | 0 | 0 | 107.8 | T584 L597 F622 A625 T626 M629 L687 S688 C689 L691 | T584-L595 HydrophobicContact CG2-CG 4.28Å; L595-L597 HydrophobicContact CD2-CB 3.91Å; L595-F622 HydrophobicContact CD1-CD2 3.81Å; L595-F622 HydrophobicContact CD1-CE2 3.78Å; L595-F622 HydrophobicContact CD1-CG 4.31Å; L595-F622 HydrophobicContact CD1-CZ 4.27Å; L595-F622 HydrophobicContact CD2-CD2 3.67Å; L595-F622 HydrophobicContact CD2-CE2 3.79Å; L595-F622 HydrophobicContact CG-CD2 4.43Å; L595-F622 HydrophobicContact CG-CE2 4.36Å; L595-A625 HydrophobicContact CD1-CB 3.66Å; L595-A625 HydrophobicContact CG-CB 4.32Å; L595-T626 HydrophobicContact CD1-CG2 3.85Å; L595-M629 HydrophobicContact CB-CE 4.04Å; L595-M629 HydrophobicContact CD1-CE 4.13Å; L595-M629 HydrophobicContact CG-CE 4.32Å; L595-L687 HydrophobicContact CD2-CD2 3.91Å; L595-S688 CarbonylContact O-C 3.47Å; L595-S688 WeakPolarHBondContact O-CA 3.39Å; L595-C689 HydrophobicContact CB-CB 4.4Å; L595-C689 PolarHBondContact N-O 2.9Å; L595-C689 PolarHBondContact O-N 2.77Å; L595-L691 HydrophobicContact CB-CD1 3.91Å |
| 596 | S | 95 | Very high | 84.2 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.5 | 176.6 | 165.8 | 0 | 0 | 0 | 0 | 108.8 | C582 H583 H686 L687 | C582-S596 CarbonylContact C-O 3.58Å; C582-S596 WeakPolarHBondContact CA-O 3.4Å; H583-S596 PolarHBondContact N-O 3.32Å; H583-S596 PolarHBondContact O-N 2.94Å; S596-H686 PolarHBondContact OG-NE2 3.39Å; S596-L687 CarbonylContact C-O 3.53Å; S596-L687 WeakPolarHBondContact CA-O 3.43Å |
| 597 | L | 94.4 | Very high | 82.9 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.6 | -176.9 | -169.7 | 154.4 | 0 | 0 | 0 | 110 | I580 R581 L595 L618 A621 F622 H686 L687 | I580-L597 HydrophobicContact CG2-CD1 4.19Å; I580-L597 HydrophobicContact CG2-CD2 3.8Å; I580-L597 HydrophobicContact CG2-CG 3.87Å; R581-L597 CarbonylContact O-C 3.51Å; R581-L597 VanDerWaalsContact O-CA 3.3Å; R581-L597 WeakPolarHBondContact O-CA 3.13Å; L595-L597 HydrophobicContact CD2-CB 3.91Å; L597-L618 HydrophobicContact CD2-CD2 3.32Å; L597-A621 HydrophobicContact CD1-CB 3.8Å; L597-F622 HydrophobicContact CD1-CB 4.42Å; L597-H686 CarbonylContact O-C 3.56Å; L597-H686 WeakPolarHBondContact O-CA 3.36Å; L597-H686 PolarHBondContact O-CD2 3.5Å; L597-L687 HydrophobicContact CB-CB 4.35Å; L597-L687 PolarHBondContact N-O 2.81Å; L597-L687 PolarHBondContact O-N 2.84Å |
| 598 | S | 93.6 | Very high | 81.6 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.1 | 180 | 56.2 | 0 | 0 | 0 | 0 | 111.3 | I580 R581 Q683 L685 | I580-S598 WeakPolarHBondContact CA-O 3.48Å; R581-S598 PolarHBondContact N-O 3.44Å; R581-S598 PolarHBondContact O-N 3.31Å; S598-Q683 VanDerWaalsContact CB-OE1 3.3Å; S598-L685 WeakPolarHBondContact CA-O 3.37Å |
| 599 | M | 91.1 | Very high | 80.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.6 | 178.1 | 179.8 | 56.9 | -175.3 | 0 | 0 | 110.3 | I580 I614 L618 Q683 I684 L685 | I580-M599 HydrophobicContact CD1-SD 4.49Å; I580-M599 HydrophobicContact CG1-SD 3.56Å; I580-M599 VanDerWaalsContact CG1-SD 3.56Å; M599-I614 HydrophobicContact CE-CD1 4.05Å; M599-I614 HydrophobicContact CE-CG1 3.9Å; M599-I614 HydrophobicContact CE-CG2 4.1Å; M599-I614 HydrophobicContact CG-CG2 4.33Å; M599-L618 HydrophobicContact CB-CD2 4.09Å; M599-Q683 CarbonylContact O-C 3.59Å; M599-Q683 WeakPolarHBondContact O-CA 3.48Å; M599-I684 HydrophobicContact CB-CG1 4.24Å; M599-I684 HydrophobicContact CG-CD1 3.97Å; M599-I684 HydrophobicContact CG-CG1 3.89Å; M599-I684 WeakPolarHBondContact O-CG1 3.17Å; M599-I684 PolarHBondContact O-N 2.82Å; M599-L685 HydrophobicContact CB-CB 4.38Å; M599-L685 PolarHBondContact N-O 3.48Å |
| 600 | V | 88.4 | Confident | 79.9 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.7 | 169.6 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | G578 S579 Q683 | G578-V600 CarbonylContact C-O 3.49Å; G578-V600 WeakPolarHBondContact CA-O 3.49Å; S579-V600 PolarHBondContact N-O 3.26Å; S579-V600 PolarHBondContact O-N 3.48Å; V600-Q683 HydrophobicContact CG2-CG 3.83Å |
| 601 | A | 79.3 | Confident | 79.4 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 146.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G603 I684 | A601-G603 PolarHBondContact O-N 2.83Å; A601-I684 HydrophobicContact CB-CD1 3.93Å; A601-I684 HydrophobicContact CB-CG1 4.27Å; A601-I684 HydrophobicContact CB-CG2 3.98Å |
| 602 | C | 69 | Low | 79.1 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 52% | 0.52 | 30% | 0.301 | S | S | . | . | trans | -64.5 | 131.7 | 166.6 | -75.3 | 0 | 0 | 0 | 0 | 109.1 | C577 G604 | C577-C602 PolarHBondContact O-N 3.22Å; C602-G604 PolarHBondContact O-N 2.83Å | ||
| 603 | G | 56.5 | Low | 78.7 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 96% | 0.959 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -60.6 | 103.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A601 | A601-G603 PolarHBondContact O-N 2.83Š|
| 604 | G | 60.6 | Low | 78.4 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 175.5 | 162.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C602 L606 | C602-G604 PolarHBondContact O-N 2.83Å; G604-L606 PolarHBondContact O-N 3.27Å |
| 605 | D | 61.3 | Low | 78.1 | Confident | 160 Ų | 160 | 47.3 Ų | 47.3 | 86% | 0.856 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -67 | 116.6 | 173.6 | -91.8 | -25.4 | 0 | 0 | 0 | 109.8 | G607 | D605-G607 PolarHBondContact O-N 2.83Š|
| 606 | L | 65.3 | Low | 77.8 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 124.9 | 176.5 | -71.2 | 166 | 0 | 0 | 0 | 110.1 | C577 G604 D610 I614 Q648 I652 | C577-L606 HydrophobicContact CB-CD2 4.45Å; G604-L606 PolarHBondContact O-N 3.27Å; L606-D610 HydrophobicContact CD2-CB 4.03Å; L606-I614 HydrophobicContact CD2-CD1 3.78Å; L606-Q648 HydrophobicContact CB-CB 4.13Å; L606-Q648 HydrophobicContact CB-CG 4.08Å; L606-Q648 HydrophobicContact CD1-CB 4.46Å; L606-Q648 WeakPolarHBondContact O-CG 3.27Å; L606-Q648 PolarHBondContact O-NE2 3.02Å; L606-Q648 VanDerWaalsContact O-NE2 3.09Å; L606-I652 HydrophobicContact CD1-CD1 4.31Å |
| 607 | G | 65.3 | Low | 77.5 | Confident | 31 Ų | 31 | 54 Ų | 54 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 170.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D605 A609 D610 V611 | D605-G607 PolarHBondContact O-N 2.83Å; G607-A609 VanDerWaalsContact C-N 3.33Å; G607-A609 PolarHBondContact O-N 3.18Å; G607-D610 WeakPolarHBondContact CA-OD2 3.16Å; G607-D610 PolarHBondContact N-OD2 3.1Å; G607-D610 WeakPolarHBondContact O-CB 3.46Å; G607-D610 PolarHBondContact O-N 3.39Å; G607-V611 PolarHBondContact O-N 2.94Å; G607-V611 VanDerWaalsContact O-N 3.12Å |
| 608 | I | 64.9 | Low | 77.3 | Confident | 139 Ų | 139 | 54 Ų | 54 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.2 | -37.8 | 179.1 | -65.6 | 170.1 | 0 | 0 | 0 | 112.1 | D610 V611 K612 | I608-D610 VanDerWaalsContact C-N 3.28Å; I608-D610 PolarHBondContact O-N 3.25Å; I608-V611 PolarHBondContact O-N 2.88Å; I608-K612 PolarHBondContact O-N 3.48Å |
| 609 | A | 64.7 | Low | 77.2 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 65% | 0.653 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.7 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G607 K612 S613 | G607-A609 VanDerWaalsContact C-N 3.33Å; G607-A609 PolarHBondContact O-N 3.18Å; A609-K612 PolarHBondContact O-N 2.97Å; A609-S613 WeakPolarHBondContact O-CB 3.38Å; A609-S613 PolarHBondContact O-N 3.43Å |
| 610 | D | 75.9 | Confident | 77.1 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 178.4 | -53.6 | -33.4 | 0 | 0 | 0 | 110.8 | C577 L606 G607 I608 K612 S613 I614 | C577-D610 HydrophobicContact CB-CB 4.39Å; C577-D610 VanDerWaalsContact SG-CB 3.53Å; L606-D610 HydrophobicContact CD2-CB 4.03Å; G607-D610 WeakPolarHBondContact CA-OD2 3.16Å; G607-D610 PolarHBondContact N-OD2 3.1Å; G607-D610 WeakPolarHBondContact O-CB 3.46Å; G607-D610 PolarHBondContact O-N 3.39Å; I608-D610 VanDerWaalsContact C-N 3.28Å; I608-D610 PolarHBondContact O-N 3.25Å; D610-K612 PolarHBondContact O-N 2.92Å; D610-S613 PolarHBondContact O-N 3.24Å; D610-I614 WeakPolarHBondContact O-CB 3.44Å; D610-I614 WeakPolarHBondContact O-CD1 3.33Å; D610-I614 WeakPolarHBondContact O-CG1 3.21Å; D610-I614 PolarHBondContact O-N 2.73Å |
| 611 | V | 80.1 | Confident | 77.3 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 176 | 165.6 | 0 | 0 | 0 | 0 | 112 | G607 I608 T615 Q648 Q651 I652 | G607-V611 PolarHBondContact O-N 2.94Å; G607-V611 VanDerWaalsContact O-N 3.12Å; I608-V611 PolarHBondContact O-N 2.88Å; V611-T615 WeakPolarHBondContact O-CB 3.49Å; V611-T615 PolarHBondContact O-N 2.81Å; V611-T615 PolarHBondContact O-OG1 3.43Å; V611-Q648 HydrophobicContact CG2-CB 3.77Å; V611-Q648 HydrophobicContact CG2-CG 4.08Å; V611-Q651 HydrophobicContact CG1-CB 3.65Å; V611-I652 HydrophobicContact CB-CG1 4.16Å; V611-I652 HydrophobicContact CG1-CG1 3.82Å; V611-I652 HydrophobicContact CG2-CD1 4.48Å; V611-I652 HydrophobicContact CG2-CG1 4.1Å |
| 612 | K | 81.9 | Confident | 78 | Confident | 135 Ų | 135 | 54.7 Ų | 54.7 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | -179.9 | -171.4 | 178.4 | 176.2 | -176.3 | 0 | 111.3 | I608 A609 D610 T615 E616 | I608-K612 PolarHBondContact O-N 3.48Å; A609-K612 PolarHBondContact O-N 2.97Å; D610-K612 PolarHBondContact O-N 2.92Å; K612-T615 WeakPolarHBondContact O-CB 3.16Å; K612-T615 PolarHBondContact O-N 3.24Å; K612-E616 WeakPolarHBondContact CE-OE1 3.49Å; K612-E616 IonicContact NZ-OE1 4Å; K612-E616 WeakPolarHBondContact O-CG 3.38Å; K612-E616 PolarHBondContact O-N 2.81Å |
| 613 | S | 84.1 | Confident | 79 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 176.7 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | A609 D610 T615 E616 E617 | A609-S613 WeakPolarHBondContact O-CB 3.38Å; A609-S613 PolarHBondContact O-N 3.43Å; D610-S613 PolarHBondContact O-N 3.24Å; S613-T615 VanDerWaalsContact C-N 3.3Å; S613-T615 PolarHBondContact O-N 2.92Å; S613-E616 PolarHBondContact O-N 2.94Å; S613-E617 WeakPolarHBondContact O-CB 3.48Å; S613-E617 WeakPolarHBondContact O-CG 3.28Å; S613-E617 PolarHBondContact O-N 3Å |
| 614 | I | 85.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 178.6 | -69.1 | 165.3 | 0 | 0 | 0 | 110.2 | C577 M599 L606 D610 E616 E617 L618 I652 | C577-I614 HydrophobicContact CB-CD1 3.64Å; C577-I614 HydrophobicContact CB-CG1 3.63Å; M599-I614 HydrophobicContact CE-CD1 4.05Å; M599-I614 HydrophobicContact CE-CG1 3.9Å; M599-I614 HydrophobicContact CE-CG2 4.1Å; M599-I614 HydrophobicContact CG-CG2 4.33Å; L606-I614 HydrophobicContact CD2-CD1 3.78Å; D610-I614 WeakPolarHBondContact O-CB 3.44Å; D610-I614 WeakPolarHBondContact O-CD1 3.33Å; D610-I614 WeakPolarHBondContact O-CG1 3.21Å; D610-I614 PolarHBondContact O-N 2.73Å; I614-E616 PolarHBondContact O-N 3.17Å; I614-E617 PolarHBondContact O-N 2.86Å; I614-L618 HydrophobicContact CG2-CD1 3.73Å; I614-L618 HydrophobicContact CG2-CG 4.08Å; I614-L618 WeakPolarHBondContact O-CB 3.45Å; I614-L618 WeakPolarHBondContact O-CG 3.21Å; I614-L618 PolarHBondContact O-N 2.76Å; I614-I652 HydrophobicContact CB-CD1 4.39Å; I614-I652 HydrophobicContact CD1-CD1 3.91Å; I614-I652 HydrophobicContact CG2-CD1 4.1Å; I614-I652 HydrophobicContact CG2-CG1 4.43Å; I614-I652 HydrophobicContact CG2-CG2 3.97Å |
| 615 | T | 87.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | V611 K612 S613 L618 G619 G655 S659 | V611-T615 WeakPolarHBondContact O-CB 3.49Å; V611-T615 PolarHBondContact O-N 2.81Å; V611-T615 PolarHBondContact O-OG1 3.43Å; K612-T615 WeakPolarHBondContact O-CB 3.16Å; K612-T615 PolarHBondContact O-N 3.24Å; S613-T615 VanDerWaalsContact C-N 3.3Å; S613-T615 PolarHBondContact O-N 2.92Å; T615-L618 PolarHBondContact O-N 3.33Å; T615-G619 PolarHBondContact O-N 3.34Å; T615-G655 VanDerWaalsContact CG2-O 3.25Å; T615-G655 WeakPolarHBondContact CG2-O 3.1Å; T615-S659 PolarHBondContact O-OG 3.45Å |
| 616 | E | 88 | Confident | 83.4 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 178.3 | -70.8 | 175.6 | -178.8 | 0 | 0 | 112.1 | K612 S613 I614 T620 | K612-E616 WeakPolarHBondContact CE-OE1 3.49Å; K612-E616 IonicContact NZ-OE1 4Å; K612-E616 WeakPolarHBondContact O-CG 3.38Å; K612-E616 PolarHBondContact O-N 2.81Å; S613-E616 PolarHBondContact O-N 2.94Å; I614-E616 PolarHBondContact O-N 3.17Å; E616-T620 VanDerWaalsContact O-CB 3.27Å; E616-T620 WeakPolarHBondContact O-CB 3.39Å; E616-T620 PolarHBondContact O-N 2.82Å; E616-T620 PolarHBondContact O-OG1 2.8Å |
| 617 | E | 89.1 | Confident | 84.5 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.3 | -73.1 | 169.8 | 166.1 | 0 | 0 | 112.1 | T575 I580 S613 I614 T620 A621 | T575-E617 WeakPolarHBondContact CB-OE2 3.5Å; T575-E617 HydrophobicContact CG2-CB 4.46Å; T575-E617 HydrophobicContact CG2-CG 4.41Å; T575-E617 WeakPolarHBondContact CG2-OE2 3.3Å; T575-E617 PolarHBondContact OG1-OE2 3.1Å; I580-E617 HydrophobicContact CD1-CB 3.76Å; S613-E617 WeakPolarHBondContact O-CB 3.48Å; S613-E617 WeakPolarHBondContact O-CG 3.28Å; S613-E617 PolarHBondContact O-N 3Å; I614-E617 PolarHBondContact O-N 2.86Å; E617-T620 PolarHBondContact O-N 3.46Å; E617-A621 VanDerWaalsContact O-CB 3.26Å; E617-A621 WeakPolarHBondContact O-CB 3.3Å; E617-A621 PolarHBondContact O-N 3.11Å |
| 618 | L | 90.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 175 | -70.2 | 173.2 | 0 | 0 | 0 | 111.2 | I580 L597 M599 I614 T615 T620 A621 F622 I652 L656 L685 | I580-L618 HydrophobicContact CD1-CD2 3.81Å; I580-L618 HydrophobicContact CD1-CG 4.26Å; I580-L618 HydrophobicContact CG1-CD2 3.94Å; I580-L618 HydrophobicContact CG2-CD2 4.42Å; L597-L618 HydrophobicContact CD2-CD2 3.32Å; M599-L618 HydrophobicContact CB-CD2 4.09Å; I614-L618 HydrophobicContact CG2-CD1 3.73Å; I614-L618 HydrophobicContact CG2-CG 4.08Å; I614-L618 WeakPolarHBondContact O-CB 3.45Å; I614-L618 WeakPolarHBondContact O-CG 3.21Å; I614-L618 PolarHBondContact O-N 2.76Å; T615-L618 PolarHBondContact O-N 3.33Å; L618-T620 VanDerWaalsContact C-N 3.33Å; L618-T620 PolarHBondContact O-N 2.97Å; L618-A621 PolarHBondContact O-N 3.05Å; L618-F622 WeakPolarHBondContact O-CB 3.31Å; L618-F622 PolarHBondContact O-N 3.13Å; L618-I652 HydrophobicContact CD1-CG2 3.96Å; L618-L656 HydrophobicContact CB-CD1 3.74Å; L618-L656 HydrophobicContact CD1-CD1 4.44Å; L618-L685 HydrophobicContact CD1-CD1 4.41Å; L618-L685 HydrophobicContact CD1-CD2 4.5Å |
| 619 | G | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T615 F622 M623 | T615-G619 PolarHBondContact O-N 3.34Å; G619-F622 PolarHBondContact O-N 2.68Å; G619-M623 WeakPolarHBondContact O-CB 3.39Å; G619-M623 PolarHBondContact O-N 2.91Å |
| 620 | T | 90.7 | Very high | 86.5 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 33% | 0.331 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | E616 E617 L618 M623 K624 | E616-T620 VanDerWaalsContact O-CB 3.27Å; E616-T620 WeakPolarHBondContact O-CB 3.39Å; E616-T620 PolarHBondContact O-N 2.82Å; E616-T620 PolarHBondContact O-OG1 2.8Å; E617-T620 PolarHBondContact O-N 3.46Å; L618-T620 VanDerWaalsContact C-N 3.33Å; L618-T620 PolarHBondContact O-N 2.97Å; T620-M623 PolarHBondContact O-N 3.15Å; T620-K624 HydrophobicContact CG2-CD 4.08Å; T620-K624 HydrophobicContact CG2-CG 4.41Å; T620-K624 WeakPolarHBondContact O-CB 3.2Å; T620-K624 WeakPolarHBondContact O-CG 3.25Å; T620-K624 PolarHBondContact O-N 2.92Å |
| 621 | A | 92.3 | Very high | 85.9 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | I580 L597 E617 L618 K624 A625 | I580-A621 HydrophobicContact CG2-CB 4.12Å; L597-A621 HydrophobicContact CD1-CB 3.8Å; E617-A621 VanDerWaalsContact O-CB 3.26Å; E617-A621 WeakPolarHBondContact O-CB 3.3Å; E617-A621 PolarHBondContact O-N 3.11Å; L618-A621 PolarHBondContact O-N 3.05Å; A621-K624 PolarHBondContact O-N 3.38Å; A621-A625 WeakPolarHBondContact O-CB 3.44Å; A621-A625 PolarHBondContact O-N 3.1Å |
| 622 | F | 92.8 | Very high | 86 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -51.3 | 173.6 | -172.1 | -83.7 | 0 | 0 | 0 | 111 | L595 L597 L618 G619 K624 A625 T626 P635 L660 L664 P669 L687 C689 | L595-F622 HydrophobicContact CD1-CD2 3.81Å; L595-F622 HydrophobicContact CD1-CE2 3.78Å; L595-F622 HydrophobicContact CD1-CG 4.31Å; L595-F622 HydrophobicContact CD1-CZ 4.27Å; L595-F622 HydrophobicContact CD2-CD2 3.67Å; L595-F622 HydrophobicContact CD2-CE2 3.79Å; L595-F622 HydrophobicContact CG-CD2 4.43Å; L595-F622 HydrophobicContact CG-CE2 4.36Å; L597-F622 HydrophobicContact CD1-CB 4.42Å; L618-F622 WeakPolarHBondContact O-CB 3.31Å; L618-F622 PolarHBondContact O-N 3.13Å; G619-F622 PolarHBondContact O-N 2.68Å; F622-K624 PolarHBondContact O-N 3.4Å; F622-A625 PolarHBondContact O-N 3.3Å; F622-A625 VanDerWaalsContact O-N 3.15Å; F622-T626 HydrophobicContact CD1-CG2 3.84Å; F622-T626 HydrophobicContact CE1-CG2 3.47Å; F622-T626 VanDerWaalsContact CE1-CG2 3.47Å; F622-T626 HydrophobicContact CZ-CG2 3.96Å; F622-T626 WeakPolarHBondContact O-CG2 3.23Å; F622-T626 PolarHBondContact O-N 3.24Å; F622-T626 PolarHBondContact O-OG1 3.3Å; F622-P635 HydrophobicContact CE1-CB 4.36Å; F622-P635 HydrophobicContact CZ-CB 4.07Å; F622-L660 HydrophobicContact CB-CD2 3.83Å; F622-L660 HydrophobicContact CD1-CD2 3.55Å; F622-L660 HydrophobicContact CD2-CD2 4.32Å; F622-L660 HydrophobicContact CE1-CD2 4.19Å; F622-L660 HydrophobicContact CG-CD2 3.63Å; F622-L664 HydrophobicContact CD1-CD1 3.75Å; F622-L664 HydrophobicContact CE1-CD1 3.59Å; F622-P669 HydrophobicContact CE1-CG 4.16Å; F622-P669 HydrophobicContact CZ-CG 3.97Å; F622-L687 HydrophobicContact CD2-CD1 4.09Å; F622-L687 HydrophobicContact CD2-CD2 3.84Å; F622-L687 HydrophobicContact CE2-CD1 4.38Å; F622-L687 HydrophobicContact CE2-CD2 3.67Å; F622-C689 HydrophobicContact CE2-CB 3.85Å; F622-C689 HydrophobicContact CZ-CB 4.17Å |
| 623 | M | 91.1 | Very high | 86.4 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 178.9 | -174.6 | -136.4 | -65.3 | 0 | 0 | 112.8 | G619 T620 A625 T626 K627 L664 | G619-M623 WeakPolarHBondContact O-CB 3.39Å; G619-M623 PolarHBondContact O-N 2.91Å; T620-M623 PolarHBondContact O-N 3.15Å; M623-A625 VanDerWaalsContact C-N 3.33Å; M623-T626 WeakPolarHBondContact CA-OG1 2.98Å; M623-T626 PolarHBondContact O-OG1 2.75Å; M623-T626 VanDerWaalsContact O-OG1 3.04Å; M623-K627 HydrophobicContact CG-CD 4.14Å; M623-K627 WeakPolarHBondContact O-CB 3.14Å; M623-K627 VanDerWaalsContact O-CG 3.31Å; M623-K627 WeakPolarHBondContact O-CG 3.46Å; M623-K627 PolarHBondContact O-N 2.91Å; M623-K627 HydrophobicContact SD-CD 4.13Å; M623-K627 PolarHBondContact SD-NZ 2.91Å; M623-L664 HydrophobicContact CB-CD2 4.43Å; M623-L664 HydrophobicContact CG-CD2 4.04Å |
| 624 | K | 90.8 | Very high | 86.8 | Confident | 139 Ų | 139 | 50.3 Ų | 50.3 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | 176.1 | -77.8 | 176.7 | -179.6 | 174 | 0 | 111.6 | T620 A621 F622 A628 | T620-K624 HydrophobicContact CG2-CD 4.08Å; T620-K624 HydrophobicContact CG2-CG 4.41Å; T620-K624 WeakPolarHBondContact O-CB 3.2Å; T620-K624 WeakPolarHBondContact O-CG 3.25Å; T620-K624 PolarHBondContact O-N 2.92Å; A621-K624 PolarHBondContact O-N 3.38Å; F622-K624 PolarHBondContact O-N 3.4Å; K624-A628 VanDerWaalsContact O-CB 3.28Å; K624-A628 WeakPolarHBondContact O-CB 3.42Å; K624-A628 PolarHBondContact O-N 3.36Å; K624-A628 VanDerWaalsContact O-N 3.1Å |
| 625 | A | 91.1 | Very high | 87.2 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C582 T584 L595 A621 F622 M623 A628 M629 | C582-A625 VanDerWaalsContact SG-CB 3.55Å; T584-A625 HydrophobicContact CG2-CB 4.09Å; L595-A625 HydrophobicContact CD1-CB 3.66Å; L595-A625 HydrophobicContact CG-CB 4.32Å; A621-A625 WeakPolarHBondContact O-CB 3.44Å; A621-A625 PolarHBondContact O-N 3.1Å; F622-A625 PolarHBondContact O-N 3.3Å; F622-A625 VanDerWaalsContact O-N 3.15Å; M623-A625 VanDerWaalsContact C-N 3.33Å; A625-A628 PolarHBondContact O-N 3.11Å; A625-M629 WeakPolarHBondContact O-CG 3.27Å; A625-M629 PolarHBondContact O-N 3.23Å |
| 626 | T | 89.4 | Confident | 87.6 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.9 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | L595 F622 M623 A628 M629 L691 | L595-T626 HydrophobicContact CD1-CG2 3.85Å; F622-T626 HydrophobicContact CD1-CG2 3.84Å; F622-T626 HydrophobicContact CE1-CG2 3.47Å; F622-T626 VanDerWaalsContact CE1-CG2 3.47Å; F622-T626 HydrophobicContact CZ-CG2 3.96Å; F622-T626 WeakPolarHBondContact O-CG2 3.23Å; F622-T626 PolarHBondContact O-N 3.24Å; F622-T626 PolarHBondContact O-OG1 3.3Å; M623-T626 WeakPolarHBondContact CA-OG1 2.98Å; M623-T626 PolarHBondContact O-OG1 2.75Å; M623-T626 VanDerWaalsContact O-OG1 3.04Å; T626-A628 PolarHBondContact O-N 2.91Å; T626-M629 WeakPolarHBondContact O-CB 3.38Å; T626-M629 PolarHBondContact O-N 3.4Å; T626-M629 VanDerWaalsContact O-N 3.1Å; T626-L691 HydrophobicContact CG2-CD2 3.96Å |
| 627 | K | 87.3 | Confident | 87.9 | Confident | 153 Ų | 153 | 45.5 Ų | 45.5 | 67% | 0.665 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.5 | -21.9 | 175.1 | -74.4 | 179.1 | 176.2 | 175.7 | 0 | 114.4 | M623 M629 | M623-K627 HydrophobicContact CG-CD 4.14Å; M623-K627 WeakPolarHBondContact O-CB 3.14Å; M623-K627 VanDerWaalsContact O-CG 3.31Å; M623-K627 WeakPolarHBondContact O-CG 3.46Å; M623-K627 PolarHBondContact O-N 2.91Å; M623-K627 HydrophobicContact SD-CD 4.13Å; M623-K627 PolarHBondContact SD-NZ 2.91Å; K627-M629 VanDerWaalsContact C-N 3.32Å; K627-M629 CarbonylContact C-O 3.27Å |
| 628 | A | 85.7 | Confident | 88.1 | Confident | 54 Ų | 54 | 43 Ų | 43 | 45% | 0.446 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -81.8 | -16.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K624 A625 T626 | K624-A628 VanDerWaalsContact O-CB 3.28Å; K624-A628 WeakPolarHBondContact O-CB 3.42Å; K624-A628 PolarHBondContact O-N 3.36Å; K624-A628 VanDerWaalsContact O-N 3.1Å; A625-A628 PolarHBondContact O-N 3.11Å; T626-A628 PolarHBondContact O-N 2.91Å |
| 629 | M | 82 | Confident | 88.4 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.069 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -84.8 | 159.9 | 165.8 | -54.9 | 175.3 | -157.3 | 0 | 0 | 108.5 | T584 A593 L595 A625 T626 K627 L633 L691 | T584-M629 HydrophobicContact CG2-CE 3.09Å; A593-M629 HydrophobicContact CB-SD 3.66Å; L595-M629 HydrophobicContact CB-CE 4.04Å; L595-M629 HydrophobicContact CD1-CE 4.13Å; L595-M629 HydrophobicContact CG-CE 4.32Å; A625-M629 WeakPolarHBondContact O-CG 3.27Å; A625-M629 PolarHBondContact O-N 3.23Å; T626-M629 WeakPolarHBondContact O-CB 3.38Å; T626-M629 PolarHBondContact O-N 3.4Å; T626-M629 VanDerWaalsContact O-N 3.1Å; K627-M629 VanDerWaalsContact C-N 3.32Å; K627-M629 CarbonylContact C-O 3.27Å; M629-L633 HydrophobicContact CB-CD1 4Å; M629-L691 HydrophobicContact SD-CD1 4.13Å; M629-L691 HydrophobicContact SD-CD2 4.09Å |
| 630 | E | 69.3 | Low | 88.6 | Confident | 109 Ų | 109 | 43 Ų | 43 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | trans | -50 | 145.8 | -177.3 | -65.4 | -175.6 | 167.9 | 0 | 0 | 112.8 | L586 E632 L633 | L586-E630 HydrophobicContact CD2-CG 4.47Å; E630-E632 PolarHBondContact O-N 3.04Å; E630-L633 PolarHBondContact O-N 2.75Å | ||
| 631 | A | 63.6 | Low | 88.8 | Confident | 108 Ų | 108 | 40.4 Ų | 40.4 | 89% | 0.893 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -7.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 632 | E | 82.3 | Confident | 88.8 | Confident | 146 Ų | 146 | 40.5 Ų | 40.5 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -10.2 | -173.1 | -64.5 | -173.6 | 172.9 | 0 | 0 | 113.9 | E630 V634 L693 | E630-E632 PolarHBondContact O-N 3.04Å; E632-V634 PolarHBondContact O-N 2.83Å; E632-L693 HydrophobicContact CB-CD2 3.5Å; E632-L693 VanDerWaalsContact CB-CD2 3.5Å |
| 633 | L | 90.7 | Very high | 88.6 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 123.6 | -179.3 | -74.1 | 170.7 | 0 | 0 | 0 | 112 | L586 A593 M629 E630 L691 L693 | L586-L633 HydrophobicContact CD1-CD1 3.6Å; A593-L633 HydrophobicContact CB-CD1 3.9Å; M629-L633 HydrophobicContact CB-CD1 4Å; E630-L633 PolarHBondContact O-N 2.75Å; L633-L691 HydrophobicContact CB-CB 4.21Å; L633-L691 HydrophobicContact CB-CD2 4.4Å; L633-L693 HydrophobicContact CD2-CB 4.43Å; L633-L693 HydrophobicContact CD2-CD2 3.89Å; L633-L693 HydrophobicContact CD2-CG 3.75Å; L633-L693 HydrophobicContact CG-CD2 4.05Å; L633-L693 HydrophobicContact CG-CG 4.43Å |
| 634 | V | 92.9 | Very high | 87.9 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.7 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 110 | K306 C308 E632 Q636 L691 S692 | K306-V634 HydrophobicContact CB-CG1 3.89Å; K306-V634 HydrophobicContact CG-CG1 4.39Å; K306-V634 WeakPolarHBondContact O-CG1 3.44Å; C308-V634 HydrophobicContact CB-CB 3.87Å; C308-V634 HydrophobicContact CB-CG2 3.99Å; E632-V634 PolarHBondContact O-N 2.83Å; V634-Q636 PolarHBondContact O-N 2.9Å; V634-Q636 PolarHBondContact O-NE2 3.48Å; V634-L691 WeakPolarHBondContact O-CA 3.41Å; V634-S692 PolarHBondContact N-O 3.48Å; V634-S692 PolarHBondContact O-N 3.3Å; V634-S692 VanDerWaalsContact O-N 3.13Å |
| 635 | P | 94.3 | Very high | 86.9 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.3 | 175.3 | 31.9 | -35.4 | 0 | 0 | 0 | 110.4 | F622 S667 P669 L691 | F622-P635 HydrophobicContact CE1-CB 4.36Å; F622-P635 HydrophobicContact CZ-CB 4.07Å; P635-S667 VanDerWaalsContact CG-O 3.25Å; P635-S667 WeakPolarHBondContact CG-O 3.49Å; P635-P669 HydrophobicContact CB-CB 4.02Å; P635-P669 HydrophobicContact CB-CG 4.42Å; P635-P669 HydrophobicContact CG-CB 4.32Å; P635-P669 WeakPolarHBondContact O-CA 3.41Å; P635-L691 HydrophobicContact CB-CD2 3.92Å; P635-L691 HydrophobicContact CB-CG 4Å |
| 636 | Q | 94.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -62.1 | -171.7 | -65.1 | -57.9 | -41.5 | 0 | 0 | 112.1 | S305 W314 V634 S670 W690 | S305-Q636 WeakPolarHBondContact CB-O 3.28Å; S305-Q636 PolarHBondContact OG-OE1 2.96Å; W314-Q636 HydrophobicContact CB-CB 4.31Å; W314-Q636 WeakPolarHBondContact CB-O 3.5Å; W314-Q636 HydrophobicContact CE3-CB 4.26Å; V634-Q636 PolarHBondContact O-N 2.9Å; V634-Q636 PolarHBondContact O-NE2 3.48Å; Q636-S670 PolarHBondContact O-N 2.83Å; Q636-S670 PolarHBondContact O-OG 3.46Å; Q636-W690 HydrophobicContact CB-CE3 4.09Å; Q636-W690 HydrophobicContact CG-CE3 3.76Å; Q636-W690 HydrophobicContact CG-CZ3 3.83Å; Q636-W690 PolarHBondContact N-O 3.11Å |
| 637 | C | 94.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 117.6 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | W314 R639 S670 C689 | W314-C637 HydrophobicContact CB-CB 4.19Å; W314-C637 HydrophobicContact CD2-CB 3.33Å; W314-C637 HydrophobicContact CE3-CB 3.75Å; W314-C637 HydrophobicContact CG-CB 3.46Å; W314-C637 VanDerWaalsContact CG-CB 3.46Å; W314-C637 HydrophobicContact CZ2-CB 4.39Å; W314-C637 HydrophobicContact CZ3-CB 4.42Å; C637-R639 PolarHBondContact O-N 3.34Å; C637-S670 CarbonylContact C-O 3.55Å; C637-S670 WeakPolarHBondContact CA-O 3.27Å; C637-S670 WeakPolarHBondContact CA-OG 3.23Å; C637-S670 WeakPolarHBondContact CB-OG 3.39Å; C637-C689 VanDerWaalsContact O-CA 3.26Å; C637-C689 WeakPolarHBondContact O-CA 2.97Å; C637-C689 PolarHBondContact O-SG 3.39Å |
| 638 | A | 94.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 94.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L660 P669 S670 V671 A672 L687 | A638-L660 HydrophobicContact CB-CD1 4.13Å; A638-P669 HydrophobicContact CB-CB 4.1Å; A638-P669 HydrophobicContact CB-CG 3.73Å; A638-S670 PolarHBondContact N-O 2.83Å; A638-V671 HydrophobicContact CB-CG2 4.39Å; A638-V671 WeakPolarHBondContact O-CA 3.19Å; A638-A672 PolarHBondContact O-N 3.35Å; A638-L687 HydrophobicContact CB-CD1 3.98Å; A638-L687 HydrophobicContact CB-CD2 4.31Å; A638-L687 HydrophobicContact CB-CG 4.18Å |
| 639 | R | 95.4 | Very high | 83.9 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.3 | 174.5 | -177.5 | 173.8 | -64 | 85 | 6.4 | 109.8 | H357 Y359 D400 C637 F641 A672 V674 L687 S688 | H357-R639 PolarHBondContact CD2-NH2 3.33Å; Y359-R639 WeakPolarHBondContact OH-CD 3.4Å; D400-R639 IonicContact OD1-CZ 2.72Å; D400-R639 IonicContact OD1-NH2 3.25Å; D400-R639 PolarHBondContact OD1-NH2 3.05Å; C637-R639 PolarHBondContact O-N 3.34Å; R639-F641 VanDerWaalsContact CD-CZ 3.48Å; R639-F641 HydrophobicContact CG-CD2 4.48Å; R639-F641 HydrophobicContact CG-CE1 4.36Å; R639-F641 HydrophobicContact CG-CE2 3.86Å; R639-F641 HydrophobicContact CG-CZ 3.8Å; R639-A672 CarbonylContact C-O 3.57Å; R639-A672 WeakPolarHBondContact CA-O 3.41Å; R639-A672 HydrophobicContact CB-CB 4.41Å; R639-A672 HydrophobicContact CG-CB 4.42Å; R639-V674 HydrophobicContact CG-CG2 4.06Å; R639-L687 CarbonylContact O-C 3.6Å; R639-L687 VanDerWaalsContact O-CA 3.31Å; R639-L687 WeakPolarHBondContact O-CA 3.4Å; R639-S688 PolarHBondContact N-O 2.98Å; R639-S688 PolarHBondContact O-N 3.49Å |
| 640 | V | 95.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 103.9 | -171.3 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | V653 L656 V671 A672 L673 V674 L685 L687 | V640-V653 HydrophobicContact CG1-CG2 4.43Å; V640-L656 HydrophobicContact CG1-CD2 4.29Å; V640-L656 HydrophobicContact CG2-CD2 4.01Å; V640-V671 HydrophobicContact CG2-CG1 4.34Å; V640-A672 PolarHBondContact N-O 3.3Å; V640-L673 HydrophobicContact CB-CD2 3.88Å; V640-L673 HydrophobicContact CG1-CD2 4.46Å; V640-L673 HydrophobicContact CG2-CD2 4.19Å; V640-V674 PolarHBondContact O-N 2.92Å; V640-L685 HydrophobicContact CG1-CD1 3.54Å; V640-L685 HydrophobicContact CG1-CD2 3.96Å; V640-L685 HydrophobicContact CG1-CG 3.59Å; V640-L687 HydrophobicContact CG2-CB 4.35Å; V640-L687 HydrophobicContact CG2-CD1 3.99Å; V640-L687 HydrophobicContact CG2-CG 4.06Å |
| 641 | F | 95.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129 | 168 | -57.9 | -79.6 | 0 | 0 | 0 | 108.7 | Y500 L539 V541 R639 V674 V676 L679 L685 H686 | Y500-F641 AromaticContact CE1-CE1 3.89Å; Y500-F641 HydrophobicContact CE1-CE1 3.89Å; Y500-F641 HydrophobicContact CE1-CZ 4.2Å; L539-F641 HydrophobicContact CD1-CD2 3.98Å; L539-F641 HydrophobicContact CD1-CE2 3.98Å; L539-F641 HydrophobicContact CD2-CD2 3.79Å; L539-F641 HydrophobicContact CD2-CE2 3.76Å; V541-F641 HydrophobicContact CG1-CB 3.84Å; V541-F641 HydrophobicContact CG1-CD1 3.79Å; V541-F641 HydrophobicContact CG1-CD2 3.98Å; V541-F641 HydrophobicContact CG1-CE1 4.3Å; V541-F641 HydrophobicContact CG1-CE2 4.45Å; V541-F641 HydrophobicContact CG1-CG 3.6Å; V541-F641 HydrophobicContact CG2-CD1 4.43Å; V541-F641 HydrophobicContact CG2-CE1 4.41Å; R639-F641 VanDerWaalsContact CD-CZ 3.48Å; R639-F641 HydrophobicContact CG-CD2 4.48Å; R639-F641 HydrophobicContact CG-CE1 4.36Å; R639-F641 HydrophobicContact CG-CE2 3.86Å; R639-F641 HydrophobicContact CG-CZ 3.8Å; F641-V674 WeakPolarHBondContact CA-O 3.34Å; F641-V674 HydrophobicContact CD1-CB 3.65Å; F641-V674 HydrophobicContact CD1-CG1 3.72Å; F641-V674 HydrophobicContact CD1-CG2 4.34Å; F641-V674 HydrophobicContact CE1-CB 3.93Å; F641-V674 HydrophobicContact CE1-CG1 3.82Å; F641-V674 HydrophobicContact CE1-CG2 4.19Å; F641-V676 HydrophobicContact CB-CG1 4.22Å; F641-V676 HydrophobicContact CD1-CG1 3.8Å; F641-V676 HydrophobicContact CG-CG1 4.48Å; F641-L679 HydrophobicContact CB-CD2 4.04Å; F641-L685 CarbonylContact O-C 3.39Å; F641-L685 WeakPolarHBondContact O-CA 3.12Å; F641-H686 PolarHBondContact N-O 3.3Å; F641-H686 PolarHBondContact O-N 2.97Å |
| 642 | Y | 92.8 | Very high | 85.1 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 141.9 | -179.7 | 64.9 | -84.9 | 0 | 0 | 0 | 111 | C644 I649 V653 L673 V674 P675 V676 | Y642-C644 PolarHBondContact O-N 2.83Å; Y642-I649 HydrophobicContact CD2-CG2 4.01Å; Y642-I649 HydrophobicContact CG-CG2 4.44Å; Y642-V653 HydrophobicContact CD1-CG1 4.18Å; Y642-V653 HydrophobicContact CD1-CG2 3.97Å; Y642-V653 HydrophobicContact CD2-CG2 4.22Å; Y642-V653 HydrophobicContact CE1-CG1 4.22Å; Y642-V653 HydrophobicContact CG-CG2 3.74Å; Y642-L673 HydrophobicContact CE1-CB 4.06Å; Y642-V674 WeakPolarHBondContact CD1-O 3.49Å; Y642-V674 PolarHBondContact N-O 3.34Å; Y642-V674 VanDerWaalsContact N-O 3.1Å; Y642-P675 HydrophobicContact CE1-CB 4.18Å; Y642-P675 HydrophobicContact CE2-CB 3.92Å; Y642-V676 WeakPolarHBondContact O-CG2 3.49Å; Y642-V676 PolarHBondContact O-N 3.47Å |
| 643 | K | 86.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 24.7 Ų | 24.7 | 34% | 0.343 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.1 | -179.3 | -175.4 | 170 | -176.2 | 158.9 | 0 | 110.2 | G645 I649 D678 I684 | K643-G645 PolarHBondContact O-N 2.8Å; K643-I649 HydrophobicContact CB-CD1 4.46Å; K643-D678 WeakPolarHBondContact CD-OD1 3.46Å; K643-D678 VanDerWaalsContact CE-OD1 3.26Å; K643-D678 WeakPolarHBondContact CE-OD1 3.1Å; K643-D678 IonicContact NZ-OD1 3.09Å; K643-D678 PolarHBondContact NZ-OD1 3.36Å; K643-I684 PolarHBondContact N-O 2.81Å; K643-I684 VanDerWaalsContact N-O 3.13Å |
| 644 | C | 77.8 | Confident | 84.5 | Confident | 25 Ų | 25 | 27.9 Ų | 27.9 | 17% | 0.169 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -59.4 | 123.1 | 167.7 | -81 | 0 | 0 | 0 | 0 | 110.1 | L292 P390 Y642 P675 V676 | L292-C644 HydrophobicContact CD1-CB 3.81Å; L292-C644 VanDerWaalsContact CD1-SG 3.51Å; P390-C644 WeakPolarHBondContact CG-SG 3.29Å; Y642-C644 PolarHBondContact O-N 2.83Å; C644-P675 VanDerWaalsContact SG-CB 3.52Å; C644-V676 PolarHBondContact N-O 2.87Å |
| 645 | G | 69.8 | Low | 84.1 | Confident | 32 Ų | 32 | 28.2 Ų | 28.2 | 33% | 0.33 | 16% | 0.162 | S | C | . | . | trans | 173 | -143.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K643 | K643-G645 PolarHBondContact O-N 2.8Š| ||
| 646 | P | 66.3 | Low | 83.8 | Confident | 77 Ų | 77 | 28.1 Ų | 28.1 | 50% | 0.5 | 16% | 0.161 | S | C | . | . | trans | -54.2 | 147.3 | -171.4 | -22.9 | 31.1 | 0 | 0 | 0 | 113.4 | Q648 I649 | P646-Q648 PolarHBondContact O-N 3.03Å; P646-I649 PolarHBondContact O-N 2.9Å | ||
| 647 | S | 70.9 | Confident | 83.2 | Confident | 68 Ų | 68 | 29.5 Ų | 29.5 | 48% | 0.476 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53 | -24.1 | 179.5 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | Q650 Q651 | S647-Q650 WeakPolarHBondContact O-CB 3.45Å; S647-Q650 PolarHBondContact O-N 2.89Å; S647-Q651 WeakPolarHBondContact O-CG 3.34Å; S647-Q651 PolarHBondContact O-N 2.68Å; S647-Q651 VanDerWaalsContact O-N 3.08Å |
| 648 | Q | 75.5 | Confident | 82.7 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 177.5 | -64.8 | 92.4 | -30.2 | 0 | 0 | 113.2 | L606 V611 P646 Q650 Q651 I652 | L606-Q648 HydrophobicContact CB-CB 4.13Å; L606-Q648 HydrophobicContact CB-CG 4.08Å; L606-Q648 HydrophobicContact CD1-CB 4.46Å; L606-Q648 WeakPolarHBondContact O-CG 3.27Å; L606-Q648 PolarHBondContact O-NE2 3.02Å; L606-Q648 VanDerWaalsContact O-NE2 3.09Å; V611-Q648 HydrophobicContact CG2-CB 3.77Å; V611-Q648 HydrophobicContact CG2-CG 4.08Å; P646-Q648 PolarHBondContact O-N 3.03Å; Q648-Q650 PolarHBondContact O-N 3.08Å; Q648-Q651 PolarHBondContact O-N 2.86Å; Q648-I652 WeakPolarHBondContact O-CG1 3.09Å; Q648-I652 PolarHBondContact O-N 2.67Å |
| 649 | I | 78.3 | Confident | 82.4 | Confident | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.7 | -63.4 | 178.2 | 0 | 0 | 0 | 109.4 | Y642 K643 P646 Q651 I652 V653 I684 | Y642-I649 HydrophobicContact CD2-CG2 4.01Å; Y642-I649 HydrophobicContact CG-CG2 4.44Å; K643-I649 HydrophobicContact CB-CD1 4.46Å; P646-I649 PolarHBondContact O-N 2.9Å; I649-Q651 PolarHBondContact O-N 3.35Å; I649-I652 PolarHBondContact O-N 3.33Å; I649-V653 HydrophobicContact CG2-CG2 4.43Å; I649-V653 VanDerWaalsContact O-CG2 3.27Å; I649-V653 WeakPolarHBondContact O-CG2 3.19Å; I649-V653 PolarHBondContact O-N 2.81Å; I649-I684 HydrophobicContact CD1-CB 4.13Å; I649-I684 HydrophobicContact CD1-CG2 4.27Å |
| 650 | Q | 75.6 | Confident | 82 | Confident | 38 Ų | 38 | 35.9 Ų | 35.9 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.2 | -60.2 | 178.7 | -20.7 | 0 | 0 | 111.7 | W296 S647 Q648 V653 Q654 | W296-Q650 HydrophobicContact CH2-CB 3.62Å; W296-Q650 HydrophobicContact CH2-CG 4.31Å; W296-Q650 HydrophobicContact CZ2-CB 3.54Å; W296-Q650 VanDerWaalsContact CZ2-CD 3.42Å; W296-Q650 HydrophobicContact CZ2-CG 3.75Å; S647-Q650 WeakPolarHBondContact O-CB 3.45Å; S647-Q650 PolarHBondContact O-N 2.89Å; Q648-Q650 PolarHBondContact O-N 3.08Å; Q650-V653 PolarHBondContact O-N 3.46Å; Q650-Q654 WeakPolarHBondContact O-CG 3.12Å; Q650-Q654 PolarHBondContact O-N 3.18Å |
| 651 | Q | 80.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.3 | -69.2 | 173.6 | -3.6 | 0 | 0 | 112.6 | V611 S647 Q648 I649 V653 Q654 G655 | V611-Q651 HydrophobicContact CG1-CB 3.65Å; S647-Q651 WeakPolarHBondContact O-CG 3.34Å; S647-Q651 PolarHBondContact O-N 2.68Å; S647-Q651 VanDerWaalsContact O-N 3.08Å; Q648-Q651 PolarHBondContact O-N 2.86Å; I649-Q651 PolarHBondContact O-N 3.35Å; Q651-V653 VanDerWaalsContact C-N 3.34Å; Q651-V653 PolarHBondContact O-N 2.81Å; Q651-Q654 PolarHBondContact O-N 2.98Å; Q651-G655 PolarHBondContact O-N 3.25Å |
| 652 | I | 82.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 174.3 | -67.2 | 167.1 | 0 | 0 | 0 | 109.9 | L606 V611 I614 L618 Q648 I649 Q654 G655 L656 I684 L685 | L606-I652 HydrophobicContact CD1-CD1 4.31Å; V611-I652 HydrophobicContact CB-CG1 4.16Å; V611-I652 HydrophobicContact CG1-CG1 3.82Å; V611-I652 HydrophobicContact CG2-CD1 4.48Å; V611-I652 HydrophobicContact CG2-CG1 4.1Å; I614-I652 HydrophobicContact CB-CD1 4.39Å; I614-I652 HydrophobicContact CD1-CD1 3.91Å; I614-I652 HydrophobicContact CG2-CD1 4.1Å; I614-I652 HydrophobicContact CG2-CG1 4.43Å; I614-I652 HydrophobicContact CG2-CG2 3.97Å; L618-I652 HydrophobicContact CD1-CG2 3.96Å; Q648-I652 WeakPolarHBondContact O-CG1 3.09Å; Q648-I652 PolarHBondContact O-N 2.67Å; I649-I652 PolarHBondContact O-N 3.33Å; I652-Q654 PolarHBondContact O-N 2.95Å; I652-G655 PolarHBondContact O-N 2.83Å; I652-L656 WeakPolarHBondContact O-CB 3.49Å; I652-L656 PolarHBondContact O-N 3.29Å; I652-I684 HydrophobicContact CD1-CD1 4.17Å; I652-L685 HydrophobicContact CG2-CD1 4.37Å |
| 653 | V | 82.8 | Confident | 80.4 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | -177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | V640 Y642 I649 Q650 Q651 L656 L673 L685 | V640-V653 HydrophobicContact CG1-CG2 4.43Å; Y642-V653 HydrophobicContact CD1-CG1 4.18Å; Y642-V653 HydrophobicContact CD1-CG2 3.97Å; Y642-V653 HydrophobicContact CD2-CG2 4.22Å; Y642-V653 HydrophobicContact CE1-CG1 4.22Å; Y642-V653 HydrophobicContact CG-CG2 3.74Å; I649-V653 HydrophobicContact CG2-CG2 4.43Å; I649-V653 VanDerWaalsContact O-CG2 3.27Å; I649-V653 WeakPolarHBondContact O-CG2 3.19Å; I649-V653 PolarHBondContact O-N 2.81Å; Q650-V653 PolarHBondContact O-N 3.46Å; Q651-V653 VanDerWaalsContact C-N 3.34Å; Q651-V653 PolarHBondContact O-N 2.81Å; V653-L656 PolarHBondContact O-N 2.79Å; V653-L673 HydrophobicContact CG1-CB 4.37Å; V653-L673 HydrophobicContact CG1-CD1 3.57Å; V653-L673 HydrophobicContact CG1-CD2 3.2Å; V653-L673 HydrophobicContact CG1-CG 3.86Å; V653-L685 HydrophobicContact CG2-CD1 3.77Å |
| 654 | Q | 78.4 | Confident | 80.1 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 174.2 | -74.6 | -168.1 | -45.4 | 0 | 0 | 112.5 | W296 Q650 Q651 I652 L656 | W296-Q654 HydrophobicContact CH2-CG 4.37Å; W296-Q654 HydrophobicContact CZ3-CG 4.14Å; Q650-Q654 WeakPolarHBondContact O-CG 3.12Å; Q650-Q654 PolarHBondContact O-N 3.18Å; Q651-Q654 PolarHBondContact O-N 2.98Å; I652-Q654 PolarHBondContact O-N 2.95Å; Q654-L656 PolarHBondContact O-N 3.38Å |
| 655 | G | 84.5 | Confident | 80.4 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -26.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T615 Q651 I652 E657 E658 S659 | T615-G655 VanDerWaalsContact CG2-O 3.25Å; T615-G655 WeakPolarHBondContact CG2-O 3.1Å; Q651-G655 PolarHBondContact O-N 3.25Å; I652-G655 PolarHBondContact O-N 2.83Å; G655-E657 PolarHBondContact O-N 3.46Å; G655-E658 PolarHBondContact O-N 3.48Å; G655-S659 VanDerWaalsContact O-CB 3.29Å; G655-S659 WeakPolarHBondContact O-CB 3.38Å; G655-S659 PolarHBondContact O-N 2.84Å |
| 656 | L | 86.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | -176.4 | -176.1 | 61.3 | 0 | 0 | 0 | 112 | L618 V640 I652 V653 Q654 S659 L660 L685 L687 | L618-L656 HydrophobicContact CB-CD1 3.74Å; L618-L656 HydrophobicContact CD1-CD1 4.44Å; V640-L656 HydrophobicContact CG1-CD2 4.29Å; V640-L656 HydrophobicContact CG2-CD2 4.01Å; I652-L656 WeakPolarHBondContact O-CB 3.49Å; I652-L656 PolarHBondContact O-N 3.29Å; V653-L656 PolarHBondContact O-N 2.79Å; Q654-L656 PolarHBondContact O-N 3.38Å; L656-S659 PolarHBondContact O-N 2.73Å; L656-L660 HydrophobicContact CD1-CD1 4.39Å; L656-L660 HydrophobicContact CD1-CG 4.18Å; L656-L660 HydrophobicContact CG-CD1 4.12Å; L656-L660 HydrophobicContact CG-CG 4.36Å; L656-L660 WeakPolarHBondContact O-CB 3.41Å; L656-L660 VanDerWaalsContact O-CG 3.25Å; L656-L660 WeakPolarHBondContact O-CG 3.25Å; L656-L660 PolarHBondContact O-N 2.96Å; L656-L685 HydrophobicContact CD2-CD1 4.31Å; L656-L687 HydrophobicContact CD2-CD1 4.23Å |
| 657 | E | 82 | Confident | 81.5 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.7 | -171.5 | -168.7 | 162.5 | 0 | 0 | 111 | K300 G655 L660 R661 V671 | K300-E657 IonicContact NZ-OE2 3.79Å; G655-E657 PolarHBondContact O-N 3.46Å; E657-L660 PolarHBondContact O-N 3.06Å; E657-R661 WeakPolarHBondContact O-CB 3.23Å; E657-R661 PolarHBondContact O-N 2.63Å; E657-R661 IonicContact OE1-CZ 3.83Å; E657-R661 IonicContact OE1-NH1 3.7Å; E657-R661 IonicContact OE1-NH2 2.66Å; E657-R661 PolarHBondContact OE1-NH2 3.13Å; E657-V671 HydrophobicContact CB-CG1 4.5Å; E657-V671 HydrophobicContact CB-CG2 4.31Å; E657-V671 HydrophobicContact CG-CB 4.11Å; E657-V671 HydrophobicContact CG-CG2 3.92Å |
| 658 | E | 84.4 | Confident | 82.3 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 58% | 0.584 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | 177.2 | -66.2 | 179.1 | -177 | 0 | 0 | 111.7 | G655 R661 S662 | G655-E658 PolarHBondContact O-N 3.48Å; E658-R661 PolarHBondContact O-N 3.24Å; E658-S662 WeakPolarHBondContact O-CB 3.47Å; E658-S662 PolarHBondContact O-N 3.47Å; E658-S662 PolarHBondContact O-OG 3.31Å |
| 659 | S | 87.7 | Confident | 83.1 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 177 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | T615 G655 L656 S662 S663 | T615-S659 PolarHBondContact O-OG 3.45Å; G655-S659 VanDerWaalsContact O-CB 3.29Å; G655-S659 WeakPolarHBondContact O-CB 3.38Å; G655-S659 PolarHBondContact O-N 2.84Å; L656-S659 PolarHBondContact O-N 2.73Å; S659-S662 WeakPolarHBondContact CA-OG 3.49Å; S659-S662 PolarHBondContact O-OG 3.32Å; S659-S663 WeakPolarHBondContact O-CB 3.49Å; S659-S663 PolarHBondContact O-N 3.08Å; S659-S663 PolarHBondContact O-OG 3.47Å |
| 660 | L | 87.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.3 | -70.6 | 173.4 | 0 | 0 | 0 | 111.2 | F622 A638 L656 E657 S663 L664 P669 V671 | F622-L660 HydrophobicContact CB-CD2 3.83Å; F622-L660 HydrophobicContact CD1-CD2 3.55Å; F622-L660 HydrophobicContact CD2-CD2 4.32Å; F622-L660 HydrophobicContact CE1-CD2 4.19Å; F622-L660 HydrophobicContact CG-CD2 3.63Å; A638-L660 HydrophobicContact CB-CD1 4.13Å; L656-L660 HydrophobicContact CD1-CD1 4.39Å; L656-L660 HydrophobicContact CD1-CG 4.18Å; L656-L660 HydrophobicContact CG-CD1 4.12Å; L656-L660 HydrophobicContact CG-CG 4.36Å; L656-L660 WeakPolarHBondContact O-CB 3.41Å; L656-L660 VanDerWaalsContact O-CG 3.25Å; L656-L660 WeakPolarHBondContact O-CG 3.25Å; L656-L660 PolarHBondContact O-N 2.96Å; E657-L660 PolarHBondContact O-N 3.06Å; L660-S663 PolarHBondContact O-N 2.95Å; L660-L664 WeakPolarHBondContact O-CB 3.42Å; L660-L664 PolarHBondContact O-N 2.89Å; L660-P669 HydrophobicContact CD1-CG 4.37Å; L660-V671 HydrophobicContact CD1-CG2 4.07Å |
| 661 | R | 84 | Confident | 84.5 | Confident | 121 Ų | 121 | 44.8 Ų | 44.8 | 46% | 0.457 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 178.4 | -170.5 | 175.8 | -67.5 | 148.9 | 9 | 112.2 | E657 E658 S663 G665 | E657-R661 WeakPolarHBondContact O-CB 3.23Å; E657-R661 PolarHBondContact O-N 2.63Å; E657-R661 IonicContact OE1-CZ 3.83Å; E657-R661 IonicContact OE1-NH1 3.7Å; E657-R661 IonicContact OE1-NH2 2.66Å; E657-R661 PolarHBondContact OE1-NH2 3.13Å; E658-R661 PolarHBondContact O-N 3.24Å; R661-S663 VanDerWaalsContact C-N 3.34Å; R661-G665 VanDerWaalsContact O-CA 3.31Å; R661-G665 WeakPolarHBondContact O-CA 3.43Å; R661-G665 PolarHBondContact O-N 3.29Å |
| 662 | S | 84.4 | Confident | 85.1 | Confident | 96 Ų | 96 | 41 Ų | 41 | 67% | 0.671 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.9 | -33.3 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | E658 S659 | E658-S662 WeakPolarHBondContact O-CB 3.47Å; E658-S662 PolarHBondContact O-N 3.47Å; E658-S662 PolarHBondContact O-OG 3.31Å; S659-S662 WeakPolarHBondContact CA-OG 3.49Å; S659-S662 PolarHBondContact O-OG 3.32Å |
| 663 | S | 81.3 | Confident | 85.6 | Confident | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -79.6 | -33.7 | -178.2 | -65.6 | 0 | 0 | 0 | 0 | 114 | S659 L660 R661 | S659-S663 WeakPolarHBondContact O-CB 3.49Å; S659-S663 PolarHBondContact O-N 3.08Å; S659-S663 PolarHBondContact O-OG 3.47Å; L660-S663 PolarHBondContact O-N 2.95Å; R661-S663 VanDerWaalsContact C-N 3.34Å |
| 664 | L | 81.1 | Confident | 86.1 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -114.1 | -9.9 | -172.4 | -66.5 | 166.4 | 0 | 0 | 0 | 114 | F622 M623 L660 E666 S667 | F622-L664 HydrophobicContact CD1-CD1 3.75Å; F622-L664 HydrophobicContact CE1-CD1 3.59Å; M623-L664 HydrophobicContact CB-CD2 4.43Å; M623-L664 HydrophobicContact CG-CD2 4.04Å; L660-L664 WeakPolarHBondContact O-CB 3.42Å; L660-L664 PolarHBondContact O-N 2.89Å; L664-E666 PolarHBondContact O-N 3.32Å; L664-S667 WeakPolarHBondContact O-CB 3.42Å; L664-S667 PolarHBondContact O-N 3.22Å |
| 665 | G | 83.3 | Confident | 86.8 | Confident | 40 Ų | 40 | 39 Ų | 39 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 57.1 | -130.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R661 S667 S668 | R661-G665 VanDerWaalsContact O-CA 3.31Å; R661-G665 WeakPolarHBondContact O-CA 3.43Å; R661-G665 PolarHBondContact O-N 3.29Å; G665-S667 PolarHBondContact O-N 3.04Å; G665-S668 WeakPolarHBondContact O-CB 3.47Å; G665-S668 PolarHBondContact O-N 3.19Å; G665-S668 VanDerWaalsContact O-N 3.1Å; G665-S668 PolarHBondContact O-OG 3.15Å |
| 666 | E | 77 | Confident | 87.3 | Confident | 172 Ų | 172 | 38 Ų | 38 | 80% | 0.804 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -64.9 | -17.7 | 177.9 | -64.3 | -173.6 | 168.8 | 0 | 0 | 113.9 | L664 S668 | L664-E666 PolarHBondContact O-N 3.32Å; E666-S668 VanDerWaalsContact C-N 3.25Å; E666-S668 PolarHBondContact O-N 2.9Å |
| 667 | S | 82.4 | Confident | 87.6 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -87.5 | 10.7 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | P635 L664 G665 | P635-S667 VanDerWaalsContact CG-O 3.25Å; P635-S667 WeakPolarHBondContact CG-O 3.49Å; L664-S667 WeakPolarHBondContact O-CB 3.42Å; L664-S667 PolarHBondContact O-N 3.22Å; G665-S667 PolarHBondContact O-N 3.04Å |
| 668 | S | 87.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 12% | 0.119 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 138.5 | 177 | 80.5 | 0 | 0 | 0 | 0 | 110.9 | G665 E666 | G665-S668 WeakPolarHBondContact O-CB 3.47Å; G665-S668 PolarHBondContact O-N 3.19Å; G665-S668 VanDerWaalsContact O-N 3.1Å; G665-S668 PolarHBondContact O-OG 3.15Å; E666-S668 VanDerWaalsContact C-N 3.25Å; E666-S668 PolarHBondContact O-N 2.9Å |
| 669 | P | 92.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 158 | 171.9 | 29.4 | -34.2 | 0 | 0 | 0 | 111 | F622 P635 A638 L660 | F622-P669 HydrophobicContact CE1-CG 4.16Å; F622-P669 HydrophobicContact CZ-CG 3.97Å; P635-P669 HydrophobicContact CB-CB 4.02Å; P635-P669 HydrophobicContact CB-CG 4.42Å; P635-P669 HydrophobicContact CG-CB 4.32Å; P635-P669 WeakPolarHBondContact O-CA 3.41Å; A638-P669 HydrophobicContact CB-CB 4.1Å; A638-P669 HydrophobicContact CB-CG 3.73Å; L660-P669 HydrophobicContact CD1-CG 4.37Å |
| 670 | S | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 149 | 157.5 | 67.3 | 0 | 0 | 0 | 0 | 109.1 | W314 Q636 C637 A638 | W314-S670 WeakPolarHBondContact CB-OG 3.37Å; Q636-S670 PolarHBondContact O-N 2.83Å; Q636-S670 PolarHBondContact O-OG 3.46Å; C637-S670 CarbonylContact C-O 3.55Å; C637-S670 WeakPolarHBondContact CA-O 3.27Å; C637-S670 WeakPolarHBondContact CA-OG 3.23Å; C637-S670 WeakPolarHBondContact CB-OG 3.39Å; A638-S670 PolarHBondContact N-O 2.83Å |
| 671 | V | 91.1 | Very high | 88.7 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.7 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | S316 A638 V640 E657 L660 L673 | S316-V671 WeakPolarHBondContact CB-O 3.48Å; S316-V671 PolarHBondContact OG-N 2.81Å; S316-V671 PolarHBondContact OG-O 3.22Å; A638-V671 HydrophobicContact CB-CG2 4.39Å; A638-V671 WeakPolarHBondContact O-CA 3.19Å; V640-V671 HydrophobicContact CG2-CG1 4.34Å; E657-V671 HydrophobicContact CB-CG1 4.5Å; E657-V671 HydrophobicContact CB-CG2 4.31Å; E657-V671 HydrophobicContact CG-CB 4.11Å; E657-V671 HydrophobicContact CG-CG2 3.92Å; L660-V671 HydrophobicContact CD1-CG2 4.07Å; V671-L673 HydrophobicContact CG1-CD2 3.51Å; V671-L673 HydrophobicContact CG1-CG 4.1Å |
| 672 | A | 92.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 111.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | A638 R639 V640 | A638-A672 PolarHBondContact O-N 3.35Å; R639-A672 CarbonylContact C-O 3.57Å; R639-A672 WeakPolarHBondContact CA-O 3.41Å; R639-A672 HydrophobicContact CB-CB 4.41Å; R639-A672 HydrophobicContact CG-CB 4.42Å; V640-A672 PolarHBondContact N-O 3.3Å |
| 673 | L | 92.3 | Very high | 89.1 | Confident | 42 Ų | 42 | 30.6 Ų | 30.6 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.8 | -177.5 | -59.5 | -176.2 | 0 | 0 | 0 | 109.6 | Q398 V640 Y642 V653 V671 | Q398-L673 PolarHBondContact NE2-O 3.46Å; V640-L673 HydrophobicContact CB-CD2 3.88Å; V640-L673 HydrophobicContact CG1-CD2 4.46Å; V640-L673 HydrophobicContact CG2-CD2 4.19Å; Y642-L673 HydrophobicContact CE1-CB 4.06Å; V653-L673 HydrophobicContact CG1-CB 4.37Å; V653-L673 HydrophobicContact CG1-CD1 3.57Å; V653-L673 HydrophobicContact CG1-CD2 3.2Å; V653-L673 HydrophobicContact CG1-CG 3.86Å; V671-L673 HydrophobicContact CG1-CD2 3.51Å; V671-L673 HydrophobicContact CG1-CG 4.1Å |
| 674 | V | 94 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 102.9 | -175.4 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | Y359 R639 V640 F641 Y642 V676 | Y359-V674 HydrophobicContact CD1-CG1 3.74Å; Y359-V674 HydrophobicContact CD2-CG2 4.26Å; Y359-V674 HydrophobicContact CE1-CB 4.44Å; Y359-V674 HydrophobicContact CE1-CG1 3.48Å; Y359-V674 VanDerWaalsContact CE1-CG1 3.48Å; Y359-V674 HydrophobicContact CE1-CG2 4.07Å; Y359-V674 HydrophobicContact CE2-CG1 4.38Å; Y359-V674 HydrophobicContact CE2-CG2 3.59Å; Y359-V674 HydrophobicContact CG-CG1 4.3Å; Y359-V674 VanDerWaalsContact CZ-CG2 3.48Å; R639-V674 HydrophobicContact CG-CG2 4.06Å; V640-V674 PolarHBondContact O-N 2.92Å; F641-V674 WeakPolarHBondContact CA-O 3.34Å; F641-V674 HydrophobicContact CD1-CB 3.65Å; F641-V674 HydrophobicContact CD1-CG1 3.72Å; F641-V674 HydrophobicContact CD1-CG2 4.34Å; F641-V674 HydrophobicContact CE1-CB 3.93Å; F641-V674 HydrophobicContact CE1-CG1 3.82Å; F641-V674 HydrophobicContact CE1-CG2 4.19Å; Y642-V674 WeakPolarHBondContact CD1-O 3.49Å; Y642-V674 PolarHBondContact N-O 3.34Å; Y642-V674 VanDerWaalsContact N-O 3.1Å; V674-V676 HydrophobicContact CG1-CG1 4.31Å |
| 675 | P | 93.5 | Very high | 90 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 138.2 | 173.2 | 29.5 | -33.4 | 0 | 0 | 0 | 109.6 | P390 L391 Y642 C644 | P390-P675 VanDerWaalsContact CD-O 3.28Å; P390-P675 WeakPolarHBondContact CD-O 3.46Å; P390-P675 HydrophobicContact CG-CB 4.06Å; P390-P675 HydrophobicContact CG-CG 4.41Å; P390-P675 WeakPolarHBondContact O-CG 3.25Å; L391-P675 HydrophobicContact CD2-CG 4.35Å; Y642-P675 HydrophobicContact CE1-CB 4.18Å; Y642-P675 HydrophobicContact CE2-CB 3.92Å; C644-P675 VanDerWaalsContact SG-CB 3.52Å |
| 676 | V | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 160.7 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 111 | V541 I543 F641 Y642 C644 V674 L679 | V541-V676 HydrophobicContact CB-CG1 4.13Å; V541-V676 HydrophobicContact CG1-CG1 4.45Å; V541-V676 HydrophobicContact CG2-CG1 4.47Å; I543-V676 HydrophobicContact CG2-CG1 4.22Å; F641-V676 HydrophobicContact CB-CG1 4.22Å; F641-V676 HydrophobicContact CD1-CG1 3.8Å; F641-V676 HydrophobicContact CG-CG1 4.48Å; Y642-V676 WeakPolarHBondContact O-CG2 3.49Å; Y642-V676 PolarHBondContact O-N 3.47Å; C644-V676 PolarHBondContact N-O 2.87Å; V674-V676 HydrophobicContact CG1-CG1 4.31Å; V676-L679 HydrophobicContact CG2-CD2 3.88Å; V676-L679 HydrophobicContact CG2-CG 3.89Å |
| 677 | L | 92.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 19.2 Ų | 19.2 | 15% | 0.152 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -69.2 | -41.1 | 177.5 | -65.8 | -175.6 | 0 | 0 | 0 | 111.4 | P390 V542 P544 | P390-L677 HydrophobicContact CG-CD2 4.46Å; V542-L677 HydrophobicContact CG1-CB 4.4Å; V542-L677 WeakPolarHBondContact O-CB 3.35Å; V542-L677 PolarHBondContact O-N 3.16Å; P544-L677 HydrophobicContact CB-CD1 4.24Å; P544-L677 HydrophobicContact CG-CD1 4.03Å; P544-L677 HydrophobicContact CG-CD2 4.12Å; P544-L677 HydrophobicContact CG-CG 3.95Å |
| 678 | D | 93.3 | Very high | 92 | Very high | 21 Ų | 21 | 17 Ų | 17 | 11% | 0.112 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -159.6 | 162.8 | -178.9 | -153 | 18.1 | 0 | 0 | 0 | 112.9 | H504 V542 K643 | H504-D678 IonicContact CE1-OD2 3.75Å; H504-D678 PolarHBondContact CE1-OD2 2.89Å; H504-D678 IonicContact CG-OD2 2.91Å; H504-D678 IonicContact ND1-OD2 3.27Å; H504-D678 PolarHBondContact ND1-OD2 3.04Å; V542-D678 HydrophobicContact CB-CB 3.86Å; V542-D678 HydrophobicContact CG2-CB 3.97Å; V542-D678 PolarHBondContact N-O 3.06Å; V542-D678 PolarHBondContact O-N 3.45Å; K643-D678 WeakPolarHBondContact CD-OD1 3.46Å; K643-D678 VanDerWaalsContact CE-OD1 3.26Å; K643-D678 WeakPolarHBondContact CE-OD1 3.1Å; K643-D678 IonicContact NZ-OD1 3.09Å; K643-D678 PolarHBondContact NZ-OD1 3.36Å |
| 679 | L | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -128.1 | 148.4 | 173.4 | -66 | 169 | 0 | 0 | 0 | 110.1 | V541 F641 V676 Q683 H686 | V541-L679 HydrophobicContact CB-CD2 4.29Å; V541-L679 HydrophobicContact CG1-CD2 3.64Å; F641-L679 HydrophobicContact CB-CD2 4.04Å; V676-L679 HydrophobicContact CG2-CD2 3.88Å; V676-L679 HydrophobicContact CG2-CG 3.89Å; L679-Q683 HydrophobicContact CB-CB 3.85Å; L679-Q683 HydrophobicContact CD1-CB 4.28Å; L679-H686 HydrophobicContact CD1-CB 4.37Å; L679-H686 HydrophobicContact CD2-CB 4.34Å | ||
| 680 | P | 90.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.013 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -59.1 | 161.4 | 177 | -25.7 | 34.6 | 0 | 0 | 0 | 114.2 | V507 I540 S682 Q683 | V507-P680 HydrophobicContact CG1-CB 3.98Å; V507-P680 HydrophobicContact CG1-CG 3.97Å; V507-P680 HydrophobicContact CG2-CG 4.18Å; I540-P680 HydrophobicContact CB-CG 3.99Å; I540-P680 HydrophobicContact CG2-CG 4.35Å; I540-P680 WeakPolarHBondContact O-CD 3.46Å; I540-P680 WeakPolarHBondContact O-CG 3.41Å; P680-S682 PolarHBondContact O-N 2.91Å; P680-S682 VanDerWaalsContact O-N 3.11Å; P680-Q683 VanDerWaalsContact O-CB 3.29Å; P680-Q683 WeakPolarHBondContact O-CB 3.3Å; P680-Q683 WeakPolarHBondContact O-CG 3.49Å; P680-Q683 PolarHBondContact O-N 3.11Å; P680-Q683 PolarHBondContact O-NE2 2.83Å |
| 681 | D | 88.3 | Confident | 92.5 | Very high | 71 Ų | 71 | 16.4 Ų | 16.4 | 38% | 0.38 | 10% | 0.095 | S | C | . | . | G | 310 helix | trans | 55.7 | 32 | 166.9 | -41.3 | -47.8 | 0 | 0 | 0 | 114.5 | R511 Q683 | R511-D681 IonicContact CZ-OD1 3.82Å; R511-D681 IonicContact CZ-OD2 3.68Å; R511-D681 IonicContact NH1-OD1 2.69Å; R511-D681 PolarHBondContact NH1-OD1 2.93Å; R511-D681 IonicContact NH1-OD2 3.18Å; R511-D681 PolarHBondContact NH1-OD2 2.8Å; R511-D681 IonicContact NH2-OD1 2.82Å; R511-D681 IonicContact NH2-OD2 2.74Å; R511-D681 PolarHBondContact NH2-OD2 3.28Å; D681-Q683 PolarHBondContact O-N 3.05Å |
| 682 | S | 85.9 | Confident | 92.6 | Very high | 98 Ų | 98 | 15.8 Ų | 15.8 | 69% | 0.685 | 9% | 0.091 | S | C | * | . | G | 310 helix | trans | 58.9 | 25.8 | -176.5 | -52.5 | 0 | 0 | 0 | 0 | 114.3 | P680 | P680-S682 PolarHBondContact O-N 2.91Å; P680-S682 VanDerWaalsContact O-N 3.11Å |
| 683 | Q | 89.9 | Confident | 92.4 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.047 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 140 | 173.9 | -65.4 | 170.1 | 37.1 | 0 | 0 | 110.2 | S598 M599 V600 L679 P680 D681 H686 | S598-Q683 VanDerWaalsContact CB-OE1 3.3Å; M599-Q683 CarbonylContact O-C 3.59Å; M599-Q683 WeakPolarHBondContact O-CA 3.48Å; V600-Q683 HydrophobicContact CG2-CG 3.83Å; L679-Q683 HydrophobicContact CB-CB 3.85Å; L679-Q683 HydrophobicContact CD1-CB 4.28Å; P680-Q683 VanDerWaalsContact O-CB 3.29Å; P680-Q683 WeakPolarHBondContact O-CB 3.3Å; P680-Q683 WeakPolarHBondContact O-CG 3.49Å; P680-Q683 PolarHBondContact O-N 3.11Å; P680-Q683 PolarHBondContact O-NE2 2.83Å; D681-Q683 PolarHBondContact O-N 3.05Å; Q683-H686 PolarHBondContact OE1-ND1 2.88Å; Q683-H686 VanDerWaalsContact OE1-ND1 3.15Å |
| 684 | I | 88.9 | Confident | 92.4 | Very high | 23 Ų | 23 | 16.2 Ų | 16.2 | 12% | 0.118 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -23.9 | 172.3 | 57.1 | 158.7 | 0 | 0 | 0 | 111.7 | M599 A601 K643 I649 I652 | M599-I684 HydrophobicContact CB-CG1 4.24Å; M599-I684 HydrophobicContact CG-CD1 3.97Å; M599-I684 HydrophobicContact CG-CG1 3.89Å; M599-I684 WeakPolarHBondContact O-CG1 3.17Å; M599-I684 PolarHBondContact O-N 2.82Å; A601-I684 HydrophobicContact CB-CD1 3.93Å; A601-I684 HydrophobicContact CB-CG1 4.27Å; A601-I684 HydrophobicContact CB-CG2 3.98Å; K643-I684 PolarHBondContact N-O 2.81Å; K643-I684 VanDerWaalsContact N-O 3.13Å; I649-I684 HydrophobicContact CD1-CB 4.13Å; I649-I684 HydrophobicContact CD1-CG2 4.27Å; I652-I684 HydrophobicContact CD1-CD1 4.17Å |
| 685 | L | 91.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 137.6 | -175.9 | -178 | 153.6 | 0 | 0 | 0 | 110.1 | S598 M599 L618 V640 F641 I652 V653 L656 L687 | S598-L685 WeakPolarHBondContact CA-O 3.37Å; M599-L685 HydrophobicContact CB-CB 4.38Å; M599-L685 PolarHBondContact N-O 3.48Å; L618-L685 HydrophobicContact CD1-CD1 4.41Å; L618-L685 HydrophobicContact CD1-CD2 4.5Å; V640-L685 HydrophobicContact CG1-CD1 3.54Å; V640-L685 HydrophobicContact CG1-CD2 3.96Å; V640-L685 HydrophobicContact CG1-CG 3.59Å; F641-L685 CarbonylContact O-C 3.39Å; F641-L685 WeakPolarHBondContact O-CA 3.12Å; I652-L685 HydrophobicContact CG2-CD1 4.37Å; V653-L685 HydrophobicContact CG2-CD1 3.77Å; L656-L685 HydrophobicContact CD2-CD1 4.31Å; L685-L687 HydrophobicContact CD2-CB 4.3Å |
| 686 | H | 95 | Very high | 92.2 | Very high | 15 Ų | 15 | 17.8 Ų | 17.8 | 7% | 0.069 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 115.4 | 170.4 | -162 | 154.2 | 0 | 0 | 0 | 109.6 | S596 L597 F641 L679 Q683 | S596-H686 PolarHBondContact OG-NE2 3.39Å; L597-H686 CarbonylContact O-C 3.56Å; L597-H686 WeakPolarHBondContact O-CA 3.36Å; L597-H686 PolarHBondContact O-CD2 3.5Å; F641-H686 PolarHBondContact N-O 3.3Å; F641-H686 PolarHBondContact O-N 2.97Å; L679-H686 HydrophobicContact CD1-CB 4.37Å; L679-H686 HydrophobicContact CD2-CB 4.34Å; Q683-H686 PolarHBondContact OE1-ND1 2.88Å; Q683-H686 VanDerWaalsContact OE1-ND1 3.15Å |
| 687 | L | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.9 | 173.9 | -176.7 | 161.3 | 0 | 0 | 0 | 110.6 | L595 S596 L597 F622 A638 R639 V640 L656 L685 C689 | L595-L687 HydrophobicContact CD2-CD2 3.91Å; S596-L687 CarbonylContact C-O 3.53Å; S596-L687 WeakPolarHBondContact CA-O 3.43Å; L597-L687 HydrophobicContact CB-CB 4.35Å; L597-L687 PolarHBondContact N-O 2.81Å; L597-L687 PolarHBondContact O-N 2.84Å; F622-L687 HydrophobicContact CD2-CD1 4.09Å; F622-L687 HydrophobicContact CD2-CD2 3.84Å; F622-L687 HydrophobicContact CE2-CD1 4.38Å; F622-L687 HydrophobicContact CE2-CD2 3.67Å; A638-L687 HydrophobicContact CB-CD1 3.98Å; A638-L687 HydrophobicContact CB-CD2 4.31Å; A638-L687 HydrophobicContact CB-CG 4.18Å; R639-L687 CarbonylContact O-C 3.6Å; R639-L687 VanDerWaalsContact O-CA 3.31Å; R639-L687 WeakPolarHBondContact O-CA 3.4Å; V640-L687 HydrophobicContact CG2-CB 4.35Å; V640-L687 HydrophobicContact CG2-CD1 3.99Å; V640-L687 HydrophobicContact CG2-CG 4.06Å; L656-L687 HydrophobicContact CD2-CD1 4.23Å; L685-L687 HydrophobicContact CD2-CB 4.3Å; L687-C689 HydrophobicContact CD2-CB 4Å |
| 688 | S | 95.6 | Very high | 92 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.2 | 168.4 | -164.6 | 0 | 0 | 0 | 0 | 110.1 | Q496 H498 L595 R639 | Q496-S688 PolarHBondContact NE2-OG 3.26Å; H498-S688 WeakPolarHBondContact NE2-CB 3.39Å; H498-S688 PolarHBondContact NE2-OG 3.12Å; L595-S688 CarbonylContact O-C 3.47Å; L595-S688 WeakPolarHBondContact O-CA 3.39Å; R639-S688 PolarHBondContact N-O 2.98Å; R639-S688 PolarHBondContact O-N 3.49Å |
| 689 | C | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.8 | 177.5 | -171 | 0 | 0 | 0 | 0 | 110.7 | S594 L595 F622 C637 L687 | S594-C689 WeakPolarHBondContact CA-O 3.39Å; L595-C689 HydrophobicContact CB-CB 4.4Å; L595-C689 PolarHBondContact N-O 2.9Å; L595-C689 PolarHBondContact O-N 2.77Å; F622-C689 HydrophobicContact CE2-CB 3.85Å; F622-C689 HydrophobicContact CZ-CB 4.17Å; C637-C689 VanDerWaalsContact O-CA 3.26Å; C637-C689 WeakPolarHBondContact O-CA 2.97Å; C637-C689 PolarHBondContact O-SG 3.39Å; L687-C689 HydrophobicContact CD2-CB 4Å |
| 690 | W | 94.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.3 | 166.3 | 178.1 | 65.6 | 0 | 0 | 0 | 109.3 | Y312 L402 L446 F448 S592 Q636 S692 | Y312-W690 AromaticContact CD1-CH2 3.89Å; Y312-W690 HydrophobicContact CD1-CH2 3.89Å; Y312-W690 HydrophobicContact CD1-CZ3 4.04Å; Y312-W690 AromaticContact CD2-CH2 3.72Å; Y312-W690 HydrophobicContact CD2-CH2 3.72Å; Y312-W690 HydrophobicContact CD2-CZ3 4.36Å; Y312-W690 HydrophobicContact CE1-CH2 4.01Å; Y312-W690 AromaticContact CE2-CH2 3.88Å; Y312-W690 HydrophobicContact CE2-CH2 3.88Å; Y312-W690 AromaticContact CG-CH2 3.72Å; Y312-W690 HydrophobicContact CG-CH2 3.72Å; Y312-W690 AromaticContact CG-CZ3 3.94Å; Y312-W690 HydrophobicContact CG-CZ3 3.94Å; L402-W690 HydrophobicContact CD1-CZ3 4.12Å; L402-W690 HydrophobicContact CD2-CZ3 4.17Å; L446-W690 HydrophobicContact CD1-CH2 4.11Å; L446-W690 HydrophobicContact CD1-CZ2 3.64Å; L446-W690 HydrophobicContact CD2-CZ2 4.12Å; F448-W690 HydrophobicContact CE1-CH2 4.39Å; F448-W690 HydrophobicContact CE1-CZ3 4.42Å; F448-W690 AromaticContact CZ-CH2 3.99Å; F448-W690 HydrophobicContact CZ-CH2 3.99Å; F448-W690 HydrophobicContact CZ-CZ2 4.3Å; F448-W690 HydrophobicContact CZ-CZ3 4.33Å; S592-W690 PolarHBondContact OG-NE1 2.92Å; Q636-W690 HydrophobicContact CB-CE3 4.09Å; Q636-W690 HydrophobicContact CG-CE3 3.76Å; Q636-W690 HydrophobicContact CG-CZ3 3.83Å; Q636-W690 PolarHBondContact N-O 3.11Å; W690-S692 VanDerWaalsContact CH2-CB 3.45Å |
| 691 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.3 | 179.8 | -54.1 | 88.5 | 0 | 0 | 0 | 108.8 | S592 A593 L595 T626 M629 L633 V634 P635 | S592-L691 WeakPolarHBondContact CA-O 3.47Å; A593-L691 HydrophobicContact CB-CB 4.25Å; A593-L691 HydrophobicContact CB-CD1 4.19Å; A593-L691 PolarHBondContact N-O 3.28Å; A593-L691 PolarHBondContact O-N 3.35Å; L595-L691 HydrophobicContact CB-CD1 3.91Å; T626-L691 HydrophobicContact CG2-CD2 3.96Å; M629-L691 HydrophobicContact SD-CD1 4.13Å; M629-L691 HydrophobicContact SD-CD2 4.09Å; L633-L691 HydrophobicContact CB-CB 4.21Å; L633-L691 HydrophobicContact CB-CD2 4.4Å; V634-L691 WeakPolarHBondContact O-CA 3.41Å; P635-L691 HydrophobicContact CB-CD2 3.92Å; P635-L691 HydrophobicContact CB-CG 4Å |
| 692 | S | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.3 | 178.4 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | Y312 V634 W690 | Y312-S692 WeakPolarHBondContact CD2-OG 3.49Å; V634-S692 PolarHBondContact N-O 3.48Å; V634-S692 PolarHBondContact O-N 3.3Å; V634-S692 VanDerWaalsContact O-N 3.13Å; W690-S692 VanDerWaalsContact CH2-CB 3.45Å |
| 693 | L | 87.9 | Confident | 92.8 | Very high | 36 Ų | 36 | 9 Ų | 9 | 19% | 0.188 | 5% | 0.046 | C | C | . | . | trans | -61 | 0 | 174 | -78 | 179.8 | 0 | 0 | 0 | 110.8 | C308 S309 R310 S591 E632 L633 | C308-L693 VanDerWaalsContact CB-O 3.23Å; C308-L693 WeakPolarHBondContact CB-O 3.39Å; C308-L693 WeakPolarHBondContact CB-OXT 3.28Å; C308-L693 PolarHBondContact SG-O 3.43Å; S309-L693 WeakPolarHBondContact CA-OXT 3.34Å; S309-L693 VanDerWaalsContact CB-OXT 3.28Å; S309-L693 WeakPolarHBondContact CB-OXT 3.46Å; S309-L693 PolarHBondContact N-O 2.96Å; S309-L693 PolarHBondContact N-OXT 3.18Å; S309-L693 PolarHBondContact OG-O 2.89Å; S309-L693 PolarHBondContact OG-OXT 2.71Å; R310-L693 WeakPolarHBondContact CB-O 3.47Å; R310-L693 HydrophobicContact CG-CB 4.2Å; R310-L693 VanDerWaalsContact CG-O 3.24Å; R310-L693 WeakPolarHBondContact CG-O 3.05Å; R310-L693 PolarHBondContact N-O 3.45Å; S591-L693 PolarHBondContact O-N 3.42Å; E632-L693 HydrophobicContact CB-CD2 3.5Å; E632-L693 VanDerWaalsContact CB-CD2 3.5Å; L633-L693 HydrophobicContact CD2-CB 4.43Å; L633-L693 HydrophobicContact CD2-CD2 3.89Å; L633-L693 HydrophobicContact CD2-CG 3.75Å; L633-L693 HydrophobicContact CG-CD2 4.05Å; L633-L693 HydrophobicContact CG-CG 4.43Å |
Retrieved 693 of 693 residues in 457.9 ms
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