| 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 | 92.1 | Very high | 97.1 | Very high | 175 Ų | 175 | 58.8 Ų | 58.8 | 86% | 0.862 | 31% | 0.313 | S | S | * | . | 0 | 150.1 | 0 | -179.5 | 179.3 | 179.2 | 0 | 0 | 108.4 | K145 | M1-K145 PolarHBondContact O-N 2.69Š| |||
| 2 | F | 96.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -89.3 | 139.4 | 168.9 | -78.8 | -82.2 | 0 | 0 | 0 | 110 | I129 K145 R147 | F2-I129 HydrophobicContact CE1-CD1 3.9Å; F2-I129 HydrophobicContact CZ-CD1 4.32Å; F2-K145 CarbonylContact C-O 3.45Å; F2-K145 VanDerWaalsContact CA-O 3.3Å; F2-K145 WeakPolarHBondContact CA-O 3.48Å; F2-K145 HydrophobicContact CD1-CB 3.48Å; F2-K145 VanDerWaalsContact CD1-CB 3.48Å; F2-K145 HydrophobicContact CE1-CB 3.59Å; F2-K145 HydrophobicContact CE1-CD 4.12Å; F2-K145 HydrophobicContact CE1-CG 4.5Å; F2-K145 HydrophobicContact CE2-CD 4.19Å; F2-K145 HydrophobicContact CG-CB 4.06Å; F2-K145 HydrophobicContact CZ-CB 4.24Å; F2-K145 HydrophobicContact CZ-CD 3.91Å; F2-R147 HydrophobicContact CD1-CG 3.74Å; F2-R147 HydrophobicContact CE1-CG 3.66Å; F2-R147 VanDerWaalsContact CE2-NH2 3.34Å |
| 3 | Y | 97.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | trans | -59.6 | 142.5 | 166.1 | -169.4 | -94.2 | 0 | 0 | 0 | 109.4 | D5 F7 M119 L144 K145 F146 | Y3-D5 HydrophobicContact CD1-CB 4.29Å; Y3-D5 HydrophobicContact CE1-CB 4.09Å; Y3-D5 PolarHBondContact O-N 2.89Å; Y3-F7 HydrophobicContact CD1-CE2 4.08Å; Y3-F7 HydrophobicContact CE1-CE2 4.34Å; Y3-F7 HydrophobicContact CE1-CZ 4.38Å; Y3-M119 HydrophobicContact CE2-CE 4.4Å; Y3-L144 HydrophobicContact CD2-CD2 4.22Å; Y3-K145 PolarHBondContact N-O 3.07Å; Y3-F146 VanDerWaalsContact CB-CD1 3.46Å; Y3-F146 HydrophobicContact CD1-CD1 4.22Å; Y3-F146 AromaticContact CD1-CE1 3.94Å; Y3-F146 HydrophobicContact CD1-CE1 3.94Å; Y3-F146 AromaticContact CD2-CE1 3.62Å; Y3-F146 HydrophobicContact CD2-CE1 3.62Å; Y3-F146 HydrophobicContact CD2-CZ 4.14Å; Y3-F146 HydrophobicContact CE2-CE1 4.38Å; Y3-F146 AromaticContact CG-CD1 3.83Å; Y3-F146 HydrophobicContact CG-CD1 3.83Å; Y3-F146 AromaticContact CG-CE1 3.36Å; Y3-F146 HydrophobicContact CG-CE1 3.36Å; Y3-F146 HydrophobicContact CG-CZ 4.25Å | ||
| 4 | P | 95.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 66% | 0.662 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -58.8 | -46.2 | -171.2 | -26.4 | 35.4 | 0 | 0 | 0 | 113.9 | ||
| 5 | D | 95.9 | Very high | 97 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -91.8 | 128.9 | -174.4 | -51.5 | -51.8 | 0 | 0 | 0 | 111.1 | Y3 F7 | Y3-D5 HydrophobicContact CD1-CB 4.29Å; Y3-D5 HydrophobicContact CE1-CB 4.09Å; Y3-D5 PolarHBondContact O-N 2.89Å; D5-F7 WeakPolarHBondContact O-CE2 3.09Å |
| 6 | P | 97.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 44.2 Ų | 44.2 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | trans | -74.7 | 153.9 | 168.4 | 32.5 | -33.2 | 0 | 0 | 0 | 110.5 | R147 | P6-R147 HydrophobicContact CB-CB 4.32Š| ||
| 7 | F | 98.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 158.1 | 174.1 | -66.3 | -90.7 | 0 | 0 | 0 | 110 | Y3 D5 I10 Q31 L33 M119 F146 R147 A148 | Y3-F7 HydrophobicContact CD1-CE2 4.08Å; Y3-F7 HydrophobicContact CE1-CE2 4.34Å; Y3-F7 HydrophobicContact CE1-CZ 4.38Å; D5-F7 WeakPolarHBondContact O-CE2 3.09Å; F7-I10 HydrophobicContact CB-CG1 4.38Å; F7-Q31 HydrophobicContact CD1-CB 4.46Å; F7-L33 HydrophobicContact CB-CB 4.35Å; F7-L33 HydrophobicContact CD1-CB 3.57Å; F7-L33 HydrophobicContact CD2-CB 3.99Å; F7-L33 HydrophobicContact CD2-CD2 4.03Å; F7-L33 HydrophobicContact CE1-CB 3.78Å; F7-L33 HydrophobicContact CE1-CD1 4.22Å; F7-L33 HydrophobicContact CE1-CG 4.49Å; F7-L33 HydrophobicContact CE2-CB 4.2Å; F7-L33 HydrophobicContact CE2-CD1 4.36Å; F7-L33 HydrophobicContact CE2-CD2 3.94Å; F7-L33 HydrophobicContact CE2-CG 4.4Å; F7-L33 HydrophobicContact CG-CB 3.68Å; F7-L33 HydrophobicContact CZ-CB 4.09Å; F7-L33 HydrophobicContact CZ-CD1 3.97Å; F7-L33 HydrophobicContact CZ-CD2 4.37Å; F7-L33 HydrophobicContact CZ-CG 4.37Å; F7-M119 HydrophobicContact CE1-CB 4.03Å; F7-M119 HydrophobicContact CE1-SD 4.18Å; F7-M119 HydrophobicContact CZ-CB 4.45Å; F7-M119 HydrophobicContact CZ-SD 3.68Å; F7-F146 HydrophobicContact CD2-CD1 4.33Å; F7-F146 AromaticContact CE2-CD1 3.89Å; F7-F146 HydrophobicContact CE2-CD1 3.89Å; F7-F146 HydrophobicContact CE2-CE1 4.33Å; F7-R147 PolarHBondContact N-O 3.09Å; F7-A148 HydrophobicContact CB-CB 4.38Å; F7-A148 WeakPolarHBondContact O-CA 3.49Å |
| 8 | D | 98.7 | Very high | 97.2 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -45.5 | 170.2 | -68.1 | -51.5 | 0 | 0 | 0 | 109.7 | Q30 Q31 K149 A150 | D8-Q30 HydrophobicContact CB-CB 3.9Å; D8-Q31 PolarHBondContact N-O 3.39Å; D8-Q31 PolarHBondContact OD2-N 3.15Å; D8-K149 PolarHBondContact O-N 3.24Å; D8-K149 VanDerWaalsContact O-N 3.1Å; D8-K149 IonicContact OD1-NZ 3.38Å; D8-A150 PolarHBondContact O-N 3.13Å; D8-A150 VanDerWaalsContact O-N 3.15Å |
| 9 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.5 | -176.1 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | I11 A25 Q31 T32 L33 A150 V152 A391 A392 | V9-I11 HydrophobicContact CG1-CD1 3.62Å; V9-I11 HydrophobicContact CG1-CG1 4.45Å; V9-A25 HydrophobicContact CB-CB 4.29Å; V9-A25 HydrophobicContact CG1-CB 4.31Å; V9-A25 HydrophobicContact CG2-CB 4.27Å; V9-Q31 PolarHBondContact N-O 2.93Å; V9-T32 WeakPolarHBondContact O-CA 3.43Å; V9-L33 PolarHBondContact O-N 2.87Å; V9-A150 WeakPolarHBondContact CA-O 3.42Å; V9-A150 HydrophobicContact CG2-CB 4.47Å; V9-V152 HydrophobicContact CG1-CG2 4.27Å; V9-A391 HydrophobicContact CG1-CB 3.74Å; V9-A391 HydrophobicContact CG2-CB 4.12Å; V9-A392 HydrophobicContact CG2-CB 4.48Å |
| 10 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129 | 167.8 | -68.2 | 164.7 | 0 | 0 | 0 | 109.5 | F7 I12 L33 L35 A138 F146 A148 A150 V151 V152 | F7-I10 HydrophobicContact CB-CG1 4.38Å; I10-I12 HydrophobicContact CG2-CG1 3.95Å; I10-L33 CarbonylContact C-O 3.5Å; I10-L33 WeakPolarHBondContact CA-O 3.31Å; I10-L33 HydrophobicContact CD1-CD2 4.49Å; I10-L33 HydrophobicContact CG1-CB 4.09Å; I10-L33 HydrophobicContact CG1-CD2 4.13Å; I10-L35 HydrophobicContact CG2-CD1 3.76Å; I10-L35 HydrophobicContact CG2-CG 4.32Å; I10-A138 HydrophobicContact CD1-CB 4.43Å; I10-F146 HydrophobicContact CD1-CB 3.66Å; I10-A148 HydrophobicContact CB-CB 4.26Å; I10-A148 HydrophobicContact CD1-CB 3.48Å; I10-A148 VanDerWaalsContact CD1-CB 3.48Å; I10-A148 HydrophobicContact CG1-CB 3.56Å; I10-A150 PolarHBondContact N-O 3.45Å; I10-V151 HydrophobicContact CB-CG2 4.29Å; I10-V151 CarbonylContact O-C 3.15Å; I10-V151 VanDerWaalsContact O-CA 3.28Å; I10-V151 WeakPolarHBondContact O-CA 3.45Å; I10-V152 PolarHBondContact O-N 3.24Å |
| 11 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.5 | 172.5 | -48.4 | -59.3 | 0 | 0 | 0 | 108.8 | V9 A21 A22 T32 L33 L34 L35 V152 | V9-I11 HydrophobicContact CG1-CD1 3.62Å; V9-I11 HydrophobicContact CG1-CG1 4.45Å; I11-A21 HydrophobicContact CD1-CB 3.85Å; I11-A21 HydrophobicContact CG1-CB 4.47Å; I11-A21 HydrophobicContact CG2-CB 4.18Å; I11-A22 HydrophobicContact CB-CB 4.45Å; I11-A22 HydrophobicContact CG1-CB 3.96Å; I11-T32 HydrophobicContact CG1-CG2 3.95Å; I11-L33 PolarHBondContact N-O 3.36Å; I11-L34 HydrophobicContact CB-CD1 3.91Å; I11-L34 HydrophobicContact CG2-CD1 3.82Å; I11-L35 PolarHBondContact O-N 2.91Å; I11-V152 HydrophobicContact CD1-CB 3.59Å; I11-V152 HydrophobicContact CD1-CG2 3.44Å; I11-V152 VanDerWaalsContact CD1-CG2 3.44Å |
| 12 | I | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.3 | -179.5 | -59.1 | 176.5 | 0 | 0 | 0 | 109.2 | I10 V125 L128 A138 V151 V152 L153 T154 V155 L183 | I10-I12 HydrophobicContact CG2-CG1 3.95Å; I12-V125 HydrophobicContact CD1-CB 4.2Å; I12-V125 HydrophobicContact CD1-CG1 3.84Å; I12-V125 HydrophobicContact CD1-CG2 3.94Å; I12-V125 HydrophobicContact CG1-CG2 3.98Å; I12-V125 HydrophobicContact CG2-CB 3.99Å; I12-V125 HydrophobicContact CG2-CG2 3.84Å; I12-L128 HydrophobicContact CD1-CD2 3.75Å; I12-A138 HydrophobicContact CD1-CB 4.15Å; I12-V151 HydrophobicContact CD1-CG1 3.63Å; I12-V151 HydrophobicContact CG1-CG1 4.16Å; I12-V152 PolarHBondContact N-O 3.3Å; I12-L153 HydrophobicContact CB-CD2 3.83Å; I12-L153 HydrophobicContact CD1-CD2 3.52Å; I12-L153 HydrophobicContact CG1-CD2 4.13Å; I12-L153 HydrophobicContact CG2-CD2 4.18Å; I12-T154 CarbonylContact O-C 3.59Å; I12-T154 WeakPolarHBondContact O-CA 3.25Å; I12-T154 PolarHBondContact O-N 3.13Å; I12-T154 PolarHBondContact O-OG1 3.39Å; I12-V155 HydrophobicContact CG2-CG1 4.18Å; I12-L183 HydrophobicContact CG2-CD2 4.46Å |
| 13 | G | 96.7 | Very high | 97.9 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 13% | 0.134 | 14% | 0.136 | C | C | . | . | trans | 104.6 | 127.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | G15 G18 L35 T154 | G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.03Å; G13-G18 WeakPolarHBondContact O-CA 3.24Å; G13-L35 PolarHBondContact N-O 3.08Å; G13-T154 PolarHBondContact O-OG1 3.42Å | ||
| 14 | G | 95.8 | Very high | 98 | Very high | 7 Ų | 7 | 20 Ų | 20 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | trans | -92.2 | 30.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 15 | G | 96 | Very high | 98.1 | Very high | 13 Ų | 13 | 15.1 Ų | 15.1 | 13% | 0.134 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -77 | -169.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | G13 A17 G18 T19 | G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.03Å; G15-A17 PolarHBondContact O-N 3.02Å; G15-G18 PolarHBondContact O-N 3.33Å; G15-T19 WeakPolarHBondContact O-CB 3.48Å; G15-T19 PolarHBondContact O-N 3.13Å; G15-T19 PolarHBondContact O-OG1 2.78Å |
| 16 | H | 98.2 | Very high | 98.3 | Very high | 19 Ų | 19 | 10.6 Ų | 10.6 | 9% | 0.088 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 177.3 | -62 | 87 | 0 | 0 | 0 | 112.7 | E20 Q44 M70 Y104 Y377 A380 | H16-E20 PolarHBondContact O-N 3.08Å; H16-Q44 PolarHBondContact CE1-O 2.88Å; H16-M70 HydrophobicContact CB-CE 4.3Å; H16-Y104 AromaticContact NE2-CE1 3.86Å; H16-Y377 AromaticContact CE1-CD1 3.21Å; H16-Y377 WeakPolarHBondContact CE1-CD1 3.37Å; H16-Y377 AromaticContact CE1-CE1 3.66Å; H16-Y377 AromaticContact CE1-CG 3.66Å; H16-Y377 AromaticContact ND1-CD1 3.37Å; H16-Y377 WeakPolarHBondContact ND1-CD1 3.48Å; H16-Y377 AromaticContact ND1-CG 3.98Å; H16-Y377 AromaticContact NE2-CD1 3.77Å; H16-Y377 AromaticContact NE2-CG 3.71Å; H16-A380 HydrophobicContact CB-CB 4.37Å |
| 17 | A | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 9.3 Ų | 9.3 | 4% | 0.041 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | G15 T19 E20 A21 T154 A368 A380 G384 | G15-A17 PolarHBondContact O-N 3.02Å; A17-T19 VanDerWaalsContact C-N 3.32Å; A17-T19 PolarHBondContact O-N 2.85Å; A17-E20 PolarHBondContact O-N 3.15Å; A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.37Å; A17-A21 PolarHBondContact O-N 3.32Å; A17-T154 HydrophobicContact CB-CG2 3.83Å; A17-A368 HydrophobicContact CB-CB 4.13Å; A17-A380 VanDerWaalsContact CA-O 3.26Å; A17-A380 WeakPolarHBondContact CA-O 3.24Å; A17-A380 HydrophobicContact CB-CB 4.11Å; A17-A380 WeakPolarHBondContact CB-O 3.37Å; A17-G384 WeakPolarHBondContact O-CA 3.18Å |
| 18 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.1 | -34.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G13 G15 A21 A22 T154 | G13-G18 WeakPolarHBondContact O-CA 3.24Å; G15-G18 PolarHBondContact O-N 3.33Å; G18-A21 PolarHBondContact O-N 3.2Å; G18-A22 VanDerWaalsContact O-CB 3.22Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3.33Å; G18-T154 WeakPolarHBondContact CA-OG1 2.91Å; G18-T154 PolarHBondContact N-OG1 2.75Å |
| 19 | T | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 10.7 Ų | 10.7 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59 | -57 | 173.6 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | G15 A17 A21 A22 M23 L69 V108 L112 | G15-T19 WeakPolarHBondContact O-CB 3.48Å; G15-T19 PolarHBondContact O-N 3.13Å; G15-T19 PolarHBondContact O-OG1 2.78Å; A17-T19 VanDerWaalsContact C-N 3.32Å; A17-T19 PolarHBondContact O-N 2.85Å; T19-A21 VanDerWaalsContact C-N 3.31Å; T19-A21 PolarHBondContact O-N 3.36Å; T19-A22 PolarHBondContact O-N 3.23Å; T19-M23 WeakPolarHBondContact O-CB 3.03Å; T19-M23 WeakPolarHBondContact O-CG 3.48Å; T19-M23 PolarHBondContact O-N 3.28Å; T19-L69 HydrophobicContact CG2-CD2 3.73Å; T19-V108 HydrophobicContact CG2-CG1 3.63Å; T19-L112 HydrophobicContact CG2-CD1 4.08Å; T19-L112 HydrophobicContact CG2-CD2 4.21Å; T19-L112 HydrophobicContact CG2-CG 4.25Å |
| 20 | E | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | -179.4 | -68.1 | -63.3 | 172.7 | 0 | 0 | 112.5 | H16 A17 A24 V63 G68 L69 M70 A381 L385 | H16-E20 PolarHBondContact O-N 3.08Å; A17-E20 PolarHBondContact O-N 3.15Å; E20-A24 WeakPolarHBondContact O-CB 3.5Å; E20-A24 PolarHBondContact O-N 2.89Å; E20-V63 HydrophobicContact CG-CG1 4.37Å; E20-V63 WeakPolarHBondContact OE1-CG1 3.32Å; E20-G68 WeakPolarHBondContact OE2-CA 3.32Å; E20-L69 VanDerWaalsContact CD-N 3.33Å; E20-L69 WeakPolarHBondContact OE1-CA 3.33Å; E20-L69 PolarHBondContact OE1-N 3.47Å; E20-L69 PolarHBondContact OE2-N 2.89Å; E20-M70 WeakPolarHBondContact OE1-CB 3.27Å; E20-M70 PolarHBondContact OE1-N 3.39Å; E20-A381 WeakPolarHBondContact CB-O 3.26Å; E20-A381 HydrophobicContact CG-CB 3.74Å; E20-L385 HydrophobicContact CB-CB 4.05Å |
| 21 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I11 A17 G18 T19 A25 V152 G384 G388 | I11-A21 HydrophobicContact CD1-CB 3.85Å; I11-A21 HydrophobicContact CG1-CB 4.47Å; I11-A21 HydrophobicContact CG2-CB 4.18Å; A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.37Å; A17-A21 PolarHBondContact O-N 3.32Å; G18-A21 PolarHBondContact O-N 3.2Å; T19-A21 VanDerWaalsContact C-N 3.31Å; T19-A21 PolarHBondContact O-N 3.36Å; A21-A25 PolarHBondContact O-N 2.85Å; A21-A25 VanDerWaalsContact O-N 3.11Å; A21-V152 HydrophobicContact CB-CG1 4.23Å; A21-G384 WeakPolarHBondContact CA-O 3.45Å; A21-G384 WeakPolarHBondContact CB-O 3.43Å; A21-G384 PolarHBondContact N-O 3Å; A21-G388 WeakPolarHBondContact O-CA 3.4Å |
| 22 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I11 G18 T19 A26 L34 L112 L118 | I11-A22 HydrophobicContact CB-CB 4.45Å; I11-A22 HydrophobicContact CG1-CB 3.96Å; G18-A22 VanDerWaalsContact O-CB 3.22Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3.33Å; T19-A22 PolarHBondContact O-N 3.23Å; A22-A26 VanDerWaalsContact O-CB 3.23Å; A22-A26 WeakPolarHBondContact O-CB 3.33Å; A22-A26 PolarHBondContact O-N 3.48Å; A22-L34 HydrophobicContact CB-CB 4.41Å; A22-L34 HydrophobicContact CB-CD1 4.49Å; A22-L34 HydrophobicContact CB-CD2 4.43Å; A22-L112 HydrophobicContact CB-CD2 4.2Å; A22-L118 HydrophobicContact CB-CD1 3.9Å; A22-L118 HydrophobicContact CB-CD2 4.05Å |
| 23 | M | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.9 | -67 | -64.5 | -77.3 | 0 | 0 | 111.4 | T19 R27 L69 A111 L112 Q115 L118 | T19-M23 WeakPolarHBondContact O-CB 3.03Å; T19-M23 WeakPolarHBondContact O-CG 3.48Å; T19-M23 PolarHBondContact O-N 3.28Å; M23-R27 VanDerWaalsContact O-CB 3.28Å; M23-R27 WeakPolarHBondContact O-CB 3.4Å; M23-R27 WeakPolarHBondContact O-CD 3.39Å; M23-R27 WeakPolarHBondContact O-CG 3.29Å; M23-R27 PolarHBondContact O-N 3.37Å; M23-L69 HydrophobicContact CE-CD2 4.37Å; M23-L69 HydrophobicContact CG-CD2 4.39Å; M23-A111 HydrophobicContact CE-CB 4.21Å; M23-L112 HydrophobicContact CG-CD2 3.73Å; M23-L112 HydrophobicContact SD-CD2 3.67Å; M23-L112 HydrophobicContact SD-CG 4.25Å; M23-Q115 HydrophobicContact CE-CB 4.12Å; M23-Q115 HydrophobicContact CE-CG 4.2Å; M23-Q115 HydrophobicContact SD-CB 3.71Å; M23-Q115 HydrophobicContact SD-CG 3.77Å; M23-L118 HydrophobicContact SD-CD2 4.45Å |
| 24 | A | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 3% | 0.033 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -50.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E20 A26 R27 M28 L457 | E20-A24 WeakPolarHBondContact O-CB 3.5Å; E20-A24 PolarHBondContact O-N 2.89Å; A24-A26 PolarHBondContact O-N 3.2Å; A24-R27 PolarHBondContact O-N 2.99Å; A24-M28 WeakPolarHBondContact O-CG 3.19Å; A24-M28 PolarHBondContact O-N 2.91Å; A24-L457 HydrophobicContact CB-CD2 3.73Å |
| 25 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V9 A21 R27 M28 Q30 T32 A392 | V9-A25 HydrophobicContact CB-CB 4.29Å; V9-A25 HydrophobicContact CG1-CB 4.31Å; V9-A25 HydrophobicContact CG2-CB 4.27Å; A21-A25 PolarHBondContact O-N 2.85Å; A21-A25 VanDerWaalsContact O-N 3.11Å; A25-R27 PolarHBondContact O-N 3.25Å; A25-M28 PolarHBondContact O-N 3.3Å; A25-Q30 WeakPolarHBondContact O-CB 3.45Å; A25-Q30 PolarHBondContact O-N 3.48Å; A25-T32 HydrophobicContact CB-CG2 4.13Å; A25-T32 WeakPolarHBondContact CB-OG1 3.17Å; A25-A392 HydrophobicContact CB-CB 3.92Å |
| 26 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A22 A24 M28 G29 T32 Q115 P116 N117 L118 | A22-A26 VanDerWaalsContact O-CB 3.23Å; A22-A26 WeakPolarHBondContact O-CB 3.33Å; A22-A26 PolarHBondContact O-N 3.48Å; A24-A26 PolarHBondContact O-N 3.2Å; A26-M28 VanDerWaalsContact C-N 3.3Å; A26-M28 PolarHBondContact O-N 2.92Å; A26-G29 PolarHBondContact O-N 3.35Å; A26-T32 PolarHBondContact N-OG1 3.16Å; A26-Q115 HydrophobicContact CB-CG 3.81Å; A26-P116 WeakPolarHBondContact CB-O 3.32Å; A26-N117 HydrophobicContact CB-CB 4.33Å; A26-N117 PolarHBondContact O-ND2 3.46Å; A26-N117 VanDerWaalsContact O-ND2 3.11Å; A26-L118 HydrophobicContact CB-CB 3.89Å |
| 27 | R | 97.1 | Very high | 98.2 | Very high | 66 Ų | 66 | 16.7 Ų | 16.7 | 25% | 0.249 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 177 | -75.3 | 169.7 | 179 | 174.8 | -16.4 | 113.5 | M23 A24 A25 G29 G67 Q115 | M23-R27 VanDerWaalsContact O-CB 3.28Å; M23-R27 WeakPolarHBondContact O-CB 3.4Å; M23-R27 WeakPolarHBondContact O-CD 3.39Å; M23-R27 WeakPolarHBondContact O-CG 3.29Å; M23-R27 PolarHBondContact O-N 3.37Å; A24-R27 PolarHBondContact O-N 2.99Å; A25-R27 PolarHBondContact O-N 3.25Å; R27-G29 PolarHBondContact O-N 3.41Å; R27-G67 PolarHBondContact NH1-O 2.94Å; R27-Q115 VanDerWaalsContact CG-OE1 3.27Å |
| 28 | M | 98.1 | Very high | 98 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 19% | 0.187 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 7 | 172.7 | -67.3 | 169.8 | 64.3 | 0 | 0 | 113.6 | A24 A25 A26 L389 A392 R393 L455 L457 | A24-M28 WeakPolarHBondContact O-CG 3.19Å; A24-M28 PolarHBondContact O-N 2.91Å; A25-M28 PolarHBondContact O-N 3.3Å; A26-M28 VanDerWaalsContact C-N 3.3Å; A26-M28 PolarHBondContact O-N 2.92Å; M28-L389 HydrophobicContact CE-CD1 3.65Å; M28-L389 HydrophobicContact SD-CB 4.44Å; M28-L389 HydrophobicContact SD-CD1 3.41Å; M28-L389 WeakPolarHBondContact SD-CD1 3.39Å; M28-L389 HydrophobicContact SD-CG 4.49Å; M28-A392 HydrophobicContact CB-CB 4.4Å; M28-A392 HydrophobicContact CE-CB 3.84Å; M28-A392 HydrophobicContact SD-CB 3.79Å; M28-R393 HydrophobicContact CE-CG 3.67Å; M28-L455 WeakPolarHBondContact CE-O 3.39Å; M28-L457 HydrophobicContact CG-CD2 3.77Å; M28-L457 HydrophobicContact CG-CG 4.46Å; M28-L457 HydrophobicContact SD-CD2 3.71Å; M28-L457 HydrophobicContact SD-CG 4.4Å |
| 29 | G | 97.6 | Very high | 97.9 | Very high | 39 Ų | 39 | 20.8 Ų | 20.8 | 40% | 0.402 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 11.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | A26 R27 | A26-G29 PolarHBondContact O-N 3.35Å; R27-G29 PolarHBondContact O-N 3.41Å |
| 30 | Q | 98.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 14% | 0.136 | 13% | 0.133 | C | C | . | . | trans | -87.8 | 137.8 | 178.8 | -59.1 | -56.2 | -71.9 | 0 | 0 | 111.4 | D8 A25 T32 N117 A392 S395 | D8-Q30 HydrophobicContact CB-CB 3.9Å; A25-Q30 WeakPolarHBondContact O-CB 3.45Å; A25-Q30 PolarHBondContact O-N 3.48Å; Q30-T32 PolarHBondContact O-N 3.21Å; Q30-T32 VanDerWaalsContact O-N 3.07Å; Q30-T32 PolarHBondContact O-OG1 3.38Å; Q30-N117 WeakPolarHBondContact O-CB 3.38Å; Q30-A392 HydrophobicContact CB-CB 4.4Å; Q30-A392 HydrophobicContact CG-CB 3.6Å; Q30-S395 PolarHBondContact OE1-OG 3.12Å | ||
| 31 | Q | 98.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 26.1 Ų | 26.1 | 43% | 0.425 | 14% | 0.138 | S | C | . | . | trans | -67.7 | 108.6 | 173.3 | -66.1 | -54.7 | -43.4 | 0 | 0 | 109.4 | F7 D8 V9 N117 | F7-Q31 HydrophobicContact CD1-CB 4.46Å; D8-Q31 PolarHBondContact N-O 3.39Å; D8-Q31 PolarHBondContact OD2-N 3.15Å; V9-Q31 PolarHBondContact N-O 2.93Å; Q31-N117 PolarHBondContact NE2-OD1 2.92Å; Q31-N117 VanDerWaalsContact NE2-OD1 3.16Å | ||
| 32 | T | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.4 | -168.2 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | V9 I11 A25 A26 Q30 N117 L118 M119 | V9-T32 WeakPolarHBondContact O-CA 3.43Å; I11-T32 HydrophobicContact CG1-CG2 3.95Å; A25-T32 HydrophobicContact CB-CG2 4.13Å; A25-T32 WeakPolarHBondContact CB-OG1 3.17Å; A26-T32 PolarHBondContact N-OG1 3.16Å; Q30-T32 PolarHBondContact O-N 3.21Å; Q30-T32 VanDerWaalsContact O-N 3.07Å; Q30-T32 PolarHBondContact O-OG1 3.38Å; T32-N117 PolarHBondContact N-O 2.68Å; T32-L118 HydrophobicContact CG2-CD1 3.79Å; T32-M119 PolarHBondContact O-N 3.06Å |
| 33 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.2 | 173.6 | 179.2 | 65.7 | 0 | 0 | 0 | 110.3 | F7 V9 I10 I11 L35 M119 F121 F146 | F7-L33 HydrophobicContact CB-CB 4.35Å; F7-L33 HydrophobicContact CD1-CB 3.57Å; F7-L33 HydrophobicContact CD2-CB 3.99Å; F7-L33 HydrophobicContact CD2-CD2 4.03Å; F7-L33 HydrophobicContact CE1-CB 3.78Å; F7-L33 HydrophobicContact CE1-CD1 4.22Å; F7-L33 HydrophobicContact CE1-CG 4.49Å; F7-L33 HydrophobicContact CE2-CB 4.2Å; F7-L33 HydrophobicContact CE2-CD1 4.36Å; F7-L33 HydrophobicContact CE2-CD2 3.94Å; F7-L33 HydrophobicContact CE2-CG 4.4Å; F7-L33 HydrophobicContact CG-CB 3.68Å; F7-L33 HydrophobicContact CZ-CB 4.09Å; F7-L33 HydrophobicContact CZ-CD1 3.97Å; F7-L33 HydrophobicContact CZ-CD2 4.37Å; F7-L33 HydrophobicContact CZ-CG 4.37Å; V9-L33 PolarHBondContact O-N 2.87Å; I10-L33 CarbonylContact C-O 3.5Å; I10-L33 WeakPolarHBondContact CA-O 3.31Å; I10-L33 HydrophobicContact CD1-CD2 4.49Å; I10-L33 HydrophobicContact CG1-CB 4.09Å; I10-L33 HydrophobicContact CG1-CD2 4.13Å; I11-L33 PolarHBondContact N-O 3.36Å; L33-L35 HydrophobicContact CD2-CD1 4.2Å; L33-L35 HydrophobicContact CD2-CD2 3.99Å; L33-L35 HydrophobicContact CD2-CG 3.96Å; L33-L35 HydrophobicContact CG-CD2 4.24Å; L33-L35 HydrophobicContact CG-CG 4.07Å; L33-M119 CarbonylContact C-O 3.54Å; L33-M119 WeakPolarHBondContact CA-O 3.4Å; L33-M119 HydrophobicContact CD1-CB 4.14Å; L33-M119 HydrophobicContact CD1-CG 3.99Å; L33-M119 HydrophobicContact CD1-SD 4.16Å; L33-F121 HydrophobicContact CD1-CB 3.79Å; L33-F146 HydrophobicContact CD2-CB 4.01Å; L33-F146 HydrophobicContact CD2-CD1 3.38Å; L33-F146 HydrophobicContact CD2-CD2 4.09Å; L33-F146 HydrophobicContact CD2-CE1 3.74Å; L33-F146 HydrophobicContact CD2-CE2 4.42Å; L33-F146 HydrophobicContact CD2-CG 3.56Å; L33-F146 HydrophobicContact CD2-CZ 4.24Å |
| 34 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 109.5 | 169.5 | 176.6 | 60.7 | 0 | 0 | 0 | 110.5 | I11 A22 L42 L112 L118 M119 I120 F121 | I11-L34 HydrophobicContact CB-CD1 3.91Å; I11-L34 HydrophobicContact CG2-CD1 3.82Å; A22-L34 HydrophobicContact CB-CB 4.41Å; A22-L34 HydrophobicContact CB-CD1 4.49Å; A22-L34 HydrophobicContact CB-CD2 4.43Å; L34-L42 HydrophobicContact CD2-CD2 4.05Å; L34-L112 HydrophobicContact CD2-CD1 4.23Å; L34-L112 HydrophobicContact CD2-CD2 4.26Å; L34-L118 HydrophobicContact CB-CD1 3.99Å; L34-M119 PolarHBondContact N-O 2.83Å; L34-I120 HydrophobicContact CD2-CG1 4.39Å; L34-F121 PolarHBondContact O-N 3.17Å |
| 35 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.9 | 172.7 | -67.8 | 171.9 | 0 | 0 | 0 | 110.4 | I10 I11 G13 L33 F121 V125 A138 T140 F146 | I10-L35 HydrophobicContact CG2-CD1 3.76Å; I10-L35 HydrophobicContact CG2-CG 4.32Å; I11-L35 PolarHBondContact O-N 2.91Å; G13-L35 PolarHBondContact N-O 3.08Å; L33-L35 HydrophobicContact CD2-CD1 4.2Å; L33-L35 HydrophobicContact CD2-CD2 3.99Å; L33-L35 HydrophobicContact CD2-CG 3.96Å; L33-L35 HydrophobicContact CG-CD2 4.24Å; L33-L35 HydrophobicContact CG-CG 4.07Å; L35-F121 WeakPolarHBondContact CA-O 3.49Å; L35-F121 HydrophobicContact CD2-CB 4.02Å; L35-F121 HydrophobicContact CD2-CD1 3.71Å; L35-F121 HydrophobicContact CD2-CG 4.33Å; L35-V125 HydrophobicContact CB-CG2 4.04Å; L35-V125 HydrophobicContact CD1-CG2 3.58Å; L35-V125 HydrophobicContact CG-CG2 4.41Å; L35-A138 HydrophobicContact CD1-CB 4.32Å; L35-T140 HydrophobicContact CD1-CG2 4.43Å; L35-T140 HydrophobicContact CD2-CG2 4.24Å; L35-F146 HydrophobicContact CD1-CD2 4.4Å; L35-F146 HydrophobicContact CD2-CD2 4.47Å; L35-F146 HydrophobicContact CD2-CE2 4.13Å |
| 36 | T | 96.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.5 | 178 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | N38 I39 L42 F121 Q122 Q123 | T36-N38 VanDerWaalsContact C-N 3.34Å; T36-I39 HydrophobicContact CG2-CG1 3.94Å; T36-L42 HydrophobicContact CG2-CD2 4.16Å; T36-F121 PolarHBondContact N-O 3.42Å; T36-Q122 CarbonylContact O-C 3.44Å; T36-Q122 VanDerWaalsContact O-CA 3.27Å; T36-Q122 WeakPolarHBondContact O-CA 3.2Å; T36-Q123 CarbonylContact C-O 3.53Å; T36-Q123 CarbonylContact O-C 3.6Å; T36-Q123 PolarHBondContact O-N 3.02Å |
| 37 | H | 92.5 | Very high | 96.6 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -66.4 | -37.9 | 177.1 | -70.2 | 76.7 | 0 | 0 | 0 | 112 | Q122 A124 | H37-Q122 WeakPolarHBondContact O-CG 3.21Å; H37-A124 VanDerWaalsContact CD2-CB 3.4Å; H37-A124 WeakPolarHBondContact CD2-CB 3.17Å; H37-A124 WeakPolarHBondContact NE2-CB 3.27Å |
| 38 | N | 94.7 | Very high | 96.4 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | trans | -147.9 | 116.7 | -175.7 | -173.9 | -7.3 | 0 | 0 | 0 | 110.7 | T36 D40 T41 | T36-N38 VanDerWaalsContact C-N 3.34Å; N38-D40 VanDerWaalsContact C-N 3.27Å; N38-D40 PolarHBondContact O-N 3.01Å; N38-D40 WeakPolarHBondContact OD1-CB 3.22Å; N38-D40 PolarHBondContact OD1-N 3.01Å; N38-T41 HydrophobicContact CB-CG2 4.03Å; N38-T41 PolarHBondContact O-N 2.81Å; N38-T41 PolarHBondContact O-OG1 3.42Å | ||
| 39 | I | 96.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -64.7 | -31.5 | 179.1 | -67.8 | 173.3 | 0 | 0 | 0 | 111.3 | T36 T41 L42 I120 Q122 | T36-I39 HydrophobicContact CG2-CG1 3.94Å; I39-T41 PolarHBondContact O-N 2.92Å; I39-L42 HydrophobicContact CG2-CD1 3.99Å; I39-L42 WeakPolarHBondContact O-CB 3.39Å; I39-L42 VanDerWaalsContact O-CG 3.23Å; I39-L42 WeakPolarHBondContact O-CG 3.34Å; I39-L42 PolarHBondContact O-N 2.94Å; I39-L42 VanDerWaalsContact O-N 3.17Å; I39-I120 HydrophobicContact CD1-CG2 3.84Å; I39-I120 HydrophobicContact CG1-CG2 3.81Å; I39-Q122 HydrophobicContact CD1-CB 3.84Å; I39-Q122 HydrophobicContact CG1-CB 3.99Å; I39-Q122 HydrophobicContact CG1-CG 4.39Å |
| 40 | D | 96.5 | Very high | 96.4 | Very high | 98 Ų | 98 | 26.1 Ų | 26.1 | 52% | 0.524 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -68.8 | -6.8 | 179.5 | -64.5 | -47 | 0 | 0 | 0 | 113.3 | N38 R105 R109 | N38-D40 VanDerWaalsContact C-N 3.27Å; N38-D40 PolarHBondContact O-N 3.01Å; N38-D40 WeakPolarHBondContact OD1-CB 3.22Å; N38-D40 PolarHBondContact OD1-N 3.01Å; D40-R105 WeakPolarHBondContact O-CD 3.35Å; D40-R105 PolarHBondContact O-NE 3.29Å; D40-R109 IonicContact OD1-NH1 3Å; D40-R109 PolarHBondContact OD1-NH1 2.83Å |
| 41 | T | 96.2 | Very high | 96.4 | Very high | 23 Ų | 23 | 24.8 Ų | 24.8 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -106.7 | 6.3 | 178.5 | 70.6 | 0 | 0 | 0 | 0 | 113.9 | N38 I39 G43 Q44 | N38-T41 HydrophobicContact CB-CG2 4.03Å; N38-T41 PolarHBondContact O-N 2.81Å; N38-T41 PolarHBondContact O-OG1 3.42Å; I39-T41 PolarHBondContact O-N 2.92Å; T41-G43 PolarHBondContact O-N 2.84Å; T41-Q44 WeakPolarHBondContact O-CB 3.49Å; T41-Q44 PolarHBondContact O-N 3.26Å |
| 42 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 119.5 | 175.5 | -67.9 | 178.5 | 0 | 0 | 0 | 110.7 | L34 T36 I39 R105 R109 L112 I120 | L34-L42 HydrophobicContact CD2-CD2 4.05Å; T36-L42 HydrophobicContact CG2-CD2 4.16Å; I39-L42 HydrophobicContact CG2-CD1 3.99Å; I39-L42 WeakPolarHBondContact O-CB 3.39Å; I39-L42 VanDerWaalsContact O-CG 3.23Å; I39-L42 WeakPolarHBondContact O-CG 3.34Å; I39-L42 PolarHBondContact O-N 2.94Å; I39-L42 VanDerWaalsContact O-N 3.17Å; L42-R105 WeakPolarHBondContact O-CG 3.45Å; L42-R109 HydrophobicContact CB-CB 4.34Å; L42-R109 HydrophobicContact CD1-CG 4.42Å; L42-L112 HydrophobicContact CB-CD1 4.24Å; L42-L112 HydrophobicContact CD1-CD1 4.08Å; L42-L112 HydrophobicContact CD2-CD1 4.28Å; L42-L112 HydrophobicContact CG-CD1 4.43Å; L42-I120 HydrophobicContact CD1-CD1 3.99Å; L42-I120 HydrophobicContact CD1-CG2 4.4Å |
| 43 | G | 94.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 11.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T41 M45 Y104 | T41-G43 PolarHBondContact O-N 2.84Å; G43-M45 PolarHBondContact O-N 2.93Å; G43-Y104 WeakPolarHBondContact O-CD1 3.4Å |
| 44 | Q | 97.2 | Very high | 95.9 | Very high | 40 Ų | 40 | 24 Ų | 24 | 19% | 0.187 | 13% | 0.134 | C | C | . | . | trans | -61.9 | 121.2 | 177.7 | -179.1 | 66.4 | 47.2 | 0 | 0 | 111.8 | H16 T41 R105 | H16-Q44 PolarHBondContact CE1-O 2.88Å; T41-Q44 WeakPolarHBondContact O-CB 3.49Å; T41-Q44 PolarHBondContact O-N 3.26Å; Q44-R105 VanDerWaalsContact OE1-NH1 3.11Å | ||
| 45 | M | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -85.4 | 113.2 | 168.7 | -57.2 | 174.3 | 83.5 | 0 | 0 | 108.7 | G43 A50 I51 A99 R101 Y104 Y377 | G43-M45 PolarHBondContact O-N 2.93Å; M45-A50 VanDerWaalsContact CE-N 3.34Å; M45-A50 WeakPolarHBondContact CE-O 3.25Å; M45-I51 HydrophobicContact CE-CD1 4.11Å; M45-I51 HydrophobicContact CE-CG1 3.98Å; M45-A99 HydrophobicContact CE-CB 3.94Å; M45-A99 HydrophobicContact SD-CB 3.66Å; M45-R101 HydrophobicContact CB-CG 4.32Å; M45-R101 PolarHBondContact O-NH1 3.12Å; M45-R101 PolarHBondContact O-NH2 2.61Å; M45-R101 HydrophobicContact SD-CG 4.27Å; M45-Y104 HydrophobicContact CG-CD1 3.99Å; M45-Y104 HydrophobicContact CG-CE1 4.32Å; M45-Y104 HydrophobicContact SD-CD1 4Å; M45-Y104 HydrophobicContact SD-CG 4.04Å; M45-Y377 HydrophobicContact CB-CE2 4.29Å; M45-Y377 HydrophobicContact CE-CD2 4.02Å; M45-Y377 HydrophobicContact CE-CE2 3.78Å; M45-Y377 HydrophobicContact CG-CE2 4.45Å | ||
| 46 | S | 92.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 21% | 0.21 | 14% | 0.141 | C | C | . | . | trans | -92.6 | -11.7 | -173.1 | -43.8 | 0 | 0 | 0 | 0 | 114.8 | R174 R204 Y377 | S46-R174 VanDerWaalsContact OG-CD 3.25Å; S46-R174 WeakPolarHBondContact OG-CD 3.22Å; S46-R174 PolarHBondContact OG-NE 3.25Å; S46-R174 VanDerWaalsContact OG-NE 3.11Å; S46-R204 PolarHBondContact O-NH2 2.94Å; S46-Y377 PolarHBondContact N-OH 3.12Å | ||
| 47 | C | 91.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 25.3 Ų | 25.3 | 30% | 0.304 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -126.6 | -106.9 | -168.3 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | R101 Y308 Y377 | C47-R101 PolarHBondContact O-NH2 3.01Å; C47-Y308 VanDerWaalsContact C-CE2 3.45Å; C47-Y308 VanDerWaalsContact O-CD2 3.28Å; C47-Y308 WeakPolarHBondContact O-CD2 3.31Å; C47-Y308 WeakPolarHBondContact O-CE2 3.34Å; C47-Y308 PolarHBondContact SG-OH 3.16Å; C47-Y377 VanDerWaalsContact CA-OH 3.24Å; C47-Y377 WeakPolarHBondContact CA-OH 3.43Å; C47-Y377 VanDerWaalsContact CB-OH 3.25Å; C47-Y377 WeakPolarHBondContact CB-OH 3.28Å; C47-Y377 PolarHBondContact N-OH 3.35Å |
| 48 | N | 93.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | trans | -79.6 | 138.9 | 177.5 | -176 | -47.3 | 0 | 0 | 0 | 110.2 | A50 E298 Y308 N310 Y377 | N48-A50 PolarHBondContact O-N 3.07Å; N48-A50 WeakPolarHBondContact OD1-CB 3.47Å; N48-A50 PolarHBondContact OD1-N 3.3Å; N48-E298 VanDerWaalsContact CG-OE2 3.24Å; N48-E298 PolarHBondContact ND2-OE2 3.4Å; N48-E298 PolarHBondContact OD1-OE2 2.8Å; N48-E298 VanDerWaalsContact OD1-OE2 3.07Å; N48-Y308 HydrophobicContact CB-CE1 3.91Å; N48-N310 PolarHBondContact ND2-ND2 3.05Å; N48-N310 VanDerWaalsContact ND2-ND2 3.17Å; N48-Y377 PolarHBondContact N-OH 2.87Å; N48-Y377 WeakPolarHBondContact O-CE2 3.33Å; N48-Y377 PolarHBondContact O-OH 3.43Å | ||
| 49 | P | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -76.5 | 49.5 | 170.7 | 36.6 | -38.9 | 0 | 0 | 0 | 112.7 | Q98 A99 R101 E298 E300 Y308 | P49-Q98 CarbonylContact O-C 3.36Å; P49-Q98 WeakPolarHBondContact O-CA 3.35Å; P49-Q98 PolarHBondContact O-OE1 3.45Å; P49-A99 PolarHBondContact O-N 3.44Å; P49-R101 HydrophobicContact CB-CG 4.11Å; P49-E298 HydrophobicContact CG-CB 4.09Å; P49-E300 HydrophobicContact CB-CG 4.4Å; P49-E300 HydrophobicContact CG-CG 4.27Å; P49-Y308 VanDerWaalsContact CD-CG 3.45Å; P49-Y308 HydrophobicContact CG-CG 4.26Å |
| 50 | A | 98.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 18.2 Ų | 18.2 | 7% | 0.066 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M45 N48 R96 A97 | M45-A50 VanDerWaalsContact CE-N 3.34Å; M45-A50 WeakPolarHBondContact CE-O 3.25Å; N48-A50 PolarHBondContact O-N 3.07Å; N48-A50 WeakPolarHBondContact OD1-CB 3.47Å; N48-A50 PolarHBondContact OD1-N 3.3Å; A50-R96 VanDerWaalsContact CB-NH2 3.25Å; A50-A97 CarbonylContact C-O 3.56Å; A50-A97 WeakPolarHBondContact CA-O 3.27Å; A50-A97 VanDerWaalsContact CB-O 3.3Å; A50-A97 WeakPolarHBondContact CB-O 3.45Å |
| 51 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.8 | 172.3 | -67.7 | -68.7 | 0 | 0 | 0 | 109.1 | M45 V60 M70 I74 R96 A97 Y104 F227 Y377 | M45-I51 HydrophobicContact CE-CD1 4.11Å; M45-I51 HydrophobicContact CE-CG1 3.98Å; I51-V60 HydrophobicContact CG2-CG1 4.3Å; I51-V60 HydrophobicContact CG2-CG2 3.68Å; I51-M70 HydrophobicContact CD1-CE 4.02Å; I51-M70 HydrophobicContact CD1-CG 4.46Å; I51-M70 HydrophobicContact CD1-SD 4.21Å; I51-M70 HydrophobicContact CG2-CG 4.21Å; I51-M70 HydrophobicContact CG2-SD 4.38Å; I51-I74 HydrophobicContact CB-CB 4.21Å; I51-I74 HydrophobicContact CB-CD1 3.97Å; I51-I74 HydrophobicContact CB-CG1 3.88Å; I51-I74 HydrophobicContact CG1-CB 4.33Å; I51-I74 HydrophobicContact CG1-CD1 4Å; I51-I74 HydrophobicContact CG1-CG1 4.28Å; I51-I74 HydrophobicContact CG2-CB 4.19Å; I51-I74 HydrophobicContact CG2-CG1 4.25Å; I51-I74 HydrophobicContact CG2-CG2 4.14Å; I51-R96 WeakPolarHBondContact O-CA 3.41Å; I51-A97 PolarHBondContact N-O 3.45Å; I51-A97 PolarHBondContact O-N 2.92Å; I51-Y104 HydrophobicContact CD1-CE2 4.4Å; I51-Y104 HydrophobicContact CG1-CE2 4.04Å; I51-F227 HydrophobicContact CG2-CZ 4.4Å; I51-Y377 HydrophobicContact CD1-CD2 3.94Å; I51-Y377 HydrophobicContact CD1-CG 4.37Å |
| 52 | G | 97.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 6% | 0.062 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.7 | -154.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K56 E378 | G52-K56 VanDerWaalsContact C-CB 3.48Å; G52-K56 WeakPolarHBondContact O-CB 3.44Å; G52-E378 PolarHBondContact N-OE1 3Å |
| 53 | G | 94.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 13.6 Ų | 13.6 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | trans | 99.8 | -173.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G55 K56 G57 T95 | G53-G55 PolarHBondContact O-N 2.99Å; G53-G55 VanDerWaalsContact O-N 3.16Å; G53-K56 PolarHBondContact O-N 3.11Å; G53-K56 VanDerWaalsContact O-N 3.08Å; G53-G57 PolarHBondContact O-N 3.31Å; G53-T95 PolarHBondContact N-O 3.27Å | ||
| 54 | I | 92.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 13.6 Ų | 13.6 | 33% | 0.328 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 122.2 | -170.4 | -60.5 | 175.4 | 0 | 0 | 0 | 111.1 | K56 L84 A94 T430 | I54-K56 PolarHBondContact O-N 3.05Å; I54-L84 HydrophobicContact CG1-CD1 4.31Å; I54-A94 HydrophobicContact CG1-CB 4.37Å; I54-T430 HydrophobicContact CG2-CG2 3.68Å; I54-T430 WeakPolarHBondContact CG2-OG1 3.37Å |
| 55 | G | 91.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -35.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G53 L59 | G53-G55 PolarHBondContact O-N 2.99Å; G53-G55 VanDerWaalsContact O-N 3.16Å; G55-L59 PolarHBondContact O-N 3.09Å |
| 56 | K | 95.8 | Very high | 96.6 | Very high | 35 Ų | 35 | 11.7 Ų | 11.7 | 15% | 0.152 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.7 | -47.7 | 176.6 | -73.1 | 178.7 | 171.8 | -62 | 0 | 112.8 | G52 G53 I54 H58 L59 V60 E378 E379 | G52-K56 VanDerWaalsContact C-CB 3.48Å; G52-K56 WeakPolarHBondContact O-CB 3.44Å; G53-K56 PolarHBondContact O-N 3.11Å; G53-K56 VanDerWaalsContact O-N 3.08Å; I54-K56 PolarHBondContact O-N 3.05Å; K56-H58 PolarHBondContact O-N 3.42Å; K56-L59 WeakPolarHBondContact O-CB 3.45Å; K56-L59 PolarHBondContact O-N 2.82Å; K56-L59 VanDerWaalsContact O-N 3.14Å; K56-V60 WeakPolarHBondContact O-CG2 3.48Å; K56-V60 PolarHBondContact O-N 2.95Å; K56-E378 HydrophobicContact CB-CB 4.17Å; K56-E378 HydrophobicContact CB-CG 3.82Å; K56-E378 WeakPolarHBondContact CD-OE2 3.27Å; K56-E378 HydrophobicContact CG-CB 4.37Å; K56-E378 HydrophobicContact CG-CG 4.27Å; K56-E378 IonicContact NZ-OE2 3.95Å; K56-E378 PolarHBondContact NZ-OE2 3.39Å; K56-E379 VanDerWaalsContact NZ-CD 3.27Å; K56-E379 IonicContact NZ-OE1 3.75Å; K56-E379 PolarHBondContact NZ-OE1 3.31Å; K56-E379 VanDerWaalsContact NZ-OE1 3.09Å; K56-E379 IonicContact NZ-OE2 3.64Å; K56-E379 PolarHBondContact NZ-OE2 3.11Å |
| 57 | G | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.6 | -31.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G53 V60 K61 E441 | G53-G57 PolarHBondContact O-N 3.31Å; G57-V60 PolarHBondContact O-N 3.16Å; G57-K61 WeakPolarHBondContact O-CG 3.38Å; G57-K61 PolarHBondContact O-N 2.98Å; G57-E441 VanDerWaalsContact C-CD 3.47Å; G57-E441 WeakPolarHBondContact CA-OE1 3.29Å |
| 58 | H | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 173.8 | -61.4 | 54.2 | 0 | 0 | 0 | 110.6 | K56 V60 K61 E62 R93 Y409 E441 | K56-H58 PolarHBondContact O-N 3.42Å; H58-V60 VanDerWaalsContact C-N 3.32Å; H58-V60 PolarHBondContact O-N 3.1Å; H58-K61 PolarHBondContact O-N 3.24Å; H58-E62 WeakPolarHBondContact O-CB 3.26Å; H58-E62 VanDerWaalsContact O-CG 3.28Å; H58-E62 WeakPolarHBondContact O-CG 3.33Å; H58-E62 PolarHBondContact O-N 2.84Å; H58-R93 PolarHBondContact CE1-O 3.22Å; H58-Y409 HydrophobicContact CB-CD2 3.56Å; H58-Y409 HydrophobicContact CB-CE2 3.89Å; H58-Y409 HydrophobicContact CB-CG 4.13Å; H58-Y409 AromaticContact CD2-CD2 3.79Å; H58-Y409 AromaticContact CD2-CE2 3.22Å; H58-Y409 WeakPolarHBondContact CD2-CE2 3.38Å; H58-Y409 AromaticContact CD2-CZ 3.97Å; H58-Y409 AromaticContact CG-CD2 3.99Å; H58-Y409 AromaticContact CG-CE2 3.77Å; H58-E441 HydrophobicContact CB-CG 4.1Å; H58-E441 IonicContact CE1-OE1 3.13Å; H58-E441 PolarHBondContact CE1-OE1 3.34Å; H58-E441 IonicContact CG-OE1 3.27Å; H58-E441 PolarHBondContact N-OE1 2.94Å; H58-E441 WeakPolarHBondContact ND1-CG 3.4Å; H58-E441 IonicContact ND1-OE1 3.6Å; H58-E441 PolarHBondContact ND1-OE1 3.5Å |
| 59 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 173.1 | -74.4 | 176 | 0 | 0 | 0 | 112.3 | G55 K56 E62 V63 E378 E379 A382 L410 L413 M428 | G55-L59 PolarHBondContact O-N 3.09Å; K56-L59 WeakPolarHBondContact O-CB 3.45Å; K56-L59 PolarHBondContact O-N 2.82Å; K56-L59 VanDerWaalsContact O-N 3.14Å; L59-E62 PolarHBondContact O-N 2.91Å; L59-V63 WeakPolarHBondContact O-CB 3.46Å; L59-V63 VanDerWaalsContact O-CG2 3.27Å; L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 2.7Å; L59-E378 HydrophobicContact CB-CB 4.22Å; L59-E378 HydrophobicContact CD1-CB 4.35Å; L59-E379 HydrophobicContact CD1-CB 4.38Å; L59-E379 HydrophobicContact CD1-CG 3.87Å; L59-A382 HydrophobicContact CB-CB 4.44Å; L59-A382 HydrophobicContact CD1-CB 4.5Å; L59-A382 HydrophobicContact CD2-CB 3.85Å; L59-L410 HydrophobicContact CD2-CB 4.3Å; L59-L413 HydrophobicContact CD1-CD2 4.27Å; L59-L413 HydrophobicContact CD2-CD2 4.48Å; L59-M428 HydrophobicContact CD1-CB 4.06Å; L59-M428 HydrophobicContact CD1-CG 3.65Å; L59-M428 HydrophobicContact CG-CG 4.45Å |
| 60 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 178.2 | 179 | 0 | 0 | 0 | 0 | 111.1 | I51 K56 G57 H58 E62 V63 D64 M70 A71 F227 E378 | I51-V60 HydrophobicContact CG2-CG1 4.3Å; I51-V60 HydrophobicContact CG2-CG2 3.68Å; K56-V60 WeakPolarHBondContact O-CG2 3.48Å; K56-V60 PolarHBondContact O-N 2.95Å; G57-V60 PolarHBondContact O-N 3.16Å; H58-V60 VanDerWaalsContact C-N 3.32Å; H58-V60 PolarHBondContact O-N 3.1Å; V60-E62 VanDerWaalsContact C-N 3.34Å; V60-E62 PolarHBondContact O-N 2.73Å; V60-V63 PolarHBondContact O-N 2.81Å; V60-D64 PolarHBondContact O-N 3.48Å; V60-M70 HydrophobicContact CG1-CG 4.13Å; V60-M70 HydrophobicContact CG2-CG 4.27Å; V60-M70 HydrophobicContact CG2-SD 3.8Å; V60-A71 HydrophobicContact CG1-CB 3.89Å; V60-F227 HydrophobicContact CB-CD1 3.9Å; V60-F227 HydrophobicContact CB-CE1 3.87Å; V60-F227 HydrophobicContact CG1-CB 4.47Å; V60-F227 HydrophobicContact CG1-CD1 3.39Å; V60-F227 HydrophobicContact CG1-CE1 3.8Å; V60-F227 HydrophobicContact CG1-CG 4.12Å; V60-F227 HydrophobicContact CG2-CE1 4.27Å; V60-E378 HydrophobicContact CG2-CB 4.11Å; V60-E378 HydrophobicContact CG2-CG 3.53Å |
| 61 | K | 98.6 | Very high | 97.4 | Very high | 21 Ų | 21 | 7.4 Ų | 7.4 | 9% | 0.091 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 176.1 | -72.9 | -83.3 | -179.1 | -175.9 | 0 | 111.9 | G57 H58 D64 A65 V226 F227 F229 E441 A444 | G57-K61 WeakPolarHBondContact O-CG 3.38Å; G57-K61 PolarHBondContact O-N 2.98Å; H58-K61 PolarHBondContact O-N 3.24Å; K61-D64 PolarHBondContact O-N 2.93Å; K61-A65 WeakPolarHBondContact O-CB 3.24Å; K61-A65 PolarHBondContact O-N 3.39Å; K61-V226 PolarHBondContact NZ-O 3.02Å; K61-F227 WeakPolarHBondContact CD-O 3.23Å; K61-F227 WeakPolarHBondContact CE-O 3.44Å; K61-F227 PolarHBondContact NZ-O 3.3Å; K61-F229 HydrophobicContact CB-CE2 4.26Å; K61-F229 HydrophobicContact CB-CZ 4.45Å; K61-F229 HydrophobicContact CD-CE1 4.39Å; K61-F229 HydrophobicContact CD-CE2 3.91Å; K61-F229 HydrophobicContact CD-CZ 3.8Å; K61-E441 HydrophobicContact CB-CG 4.45Å; K61-E441 HydrophobicContact CG-CB 4.1Å; K61-E441 HydrophobicContact CG-CG 4Å; K61-A444 HydrophobicContact CB-CB 3.9Å |
| 62 | E | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.009 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | 174.6 | -71.2 | 178.6 | 174.5 | 0 | 0 | 112.7 | H58 L59 V60 D64 A65 L66 A408 Y409 L410 A444 R447 L448 | H58-E62 WeakPolarHBondContact O-CB 3.26Å; H58-E62 VanDerWaalsContact O-CG 3.28Å; H58-E62 WeakPolarHBondContact O-CG 3.33Å; H58-E62 PolarHBondContact O-N 2.84Å; L59-E62 PolarHBondContact O-N 2.91Å; V60-E62 VanDerWaalsContact C-N 3.34Å; V60-E62 PolarHBondContact O-N 2.73Å; E62-D64 VanDerWaalsContact C-N 3.31Å; E62-D64 PolarHBondContact O-N 3.13Å; E62-A65 PolarHBondContact O-N 3.04Å; E62-L66 WeakPolarHBondContact O-CG 3.37Å; E62-L66 PolarHBondContact O-N 3.32Å; E62-A408 WeakPolarHBondContact OE1-CA 3.43Å; E62-A408 WeakPolarHBondContact OE2-CB 3.34Å; E62-Y409 VanDerWaalsContact CD-N 3.26Å; E62-Y409 PolarHBondContact OE1-N 3.41Å; E62-Y409 WeakPolarHBondContact OE2-CA 3.39Å; E62-Y409 WeakPolarHBondContact OE2-CB 3.49Å; E62-Y409 PolarHBondContact OE2-N 3.43Å; E62-L410 PolarHBondContact OE2-N 3.36Å; E62-A444 HydrophobicContact CG-CB 3.97Å; E62-R447 IonicContact OE1-CZ 3.93Å; E62-R447 IonicContact OE1-NH1 2.84Å; E62-R447 PolarHBondContact OE1-NH1 3.41Å; E62-R447 IonicContact OE1-NH2 3.67Å; E62-R447 PolarHBondContact OE1-NH2 3.06Å; E62-L448 HydrophobicContact CB-CD1 3.62Å; E62-L448 HydrophobicContact CG-CD1 3.6Å |
| 63 | V | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.012 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 171.7 | 167.3 | 0 | 0 | 0 | 0 | 110.1 | E20 L59 V60 L66 G67 G68 M70 A382 L385 | E20-V63 HydrophobicContact CG-CG1 4.37Å; E20-V63 WeakPolarHBondContact OE1-CG1 3.32Å; L59-V63 WeakPolarHBondContact O-CB 3.46Å; L59-V63 VanDerWaalsContact O-CG2 3.27Å; L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 2.7Å; V60-V63 PolarHBondContact O-N 2.81Å; V63-L66 PolarHBondContact O-N 3.38Å; V63-G67 PolarHBondContact O-N 2.86Å; V63-G68 WeakPolarHBondContact O-CA 3.37Å; V63-G68 PolarHBondContact O-N 2.75Å; V63-M70 HydrophobicContact CG1-CB 4.3Å; V63-A382 HydrophobicContact CG2-CB 3.84Å; V63-L385 HydrophobicContact CB-CD1 4.44Å; V63-L385 HydrophobicContact CG1-CD1 4.01Å |
| 64 | D | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.9 | -171 | 65.7 | 0 | 0 | 0 | 113.1 | V60 K61 E62 L66 G67 A71 S228 F229 R462 | V60-D64 PolarHBondContact O-N 3.48Å; K61-D64 PolarHBondContact O-N 2.93Å; E62-D64 VanDerWaalsContact C-N 3.31Å; E62-D64 PolarHBondContact O-N 3.13Å; D64-L66 PolarHBondContact O-N 3.28Å; D64-G67 WeakPolarHBondContact O-CA 3.11Å; D64-G67 PolarHBondContact O-N 2.97Å; D64-A71 HydrophobicContact CB-CB 3.52Å; D64-S228 VanDerWaalsContact CG-OG 3.29Å; D64-S228 WeakPolarHBondContact OD1-CB 3.34Å; D64-S228 PolarHBondContact OD1-OG 3.38Å; D64-S228 WeakPolarHBondContact OD2-CA 3.31Å; D64-S228 PolarHBondContact OD2-OG 3.26Å; D64-F229 HydrophobicContact CB-CD2 4.44Å; D64-F229 VanDerWaalsContact OD2-CD2 3.25Å; D64-F229 WeakPolarHBondContact OD2-CD2 3.32Å; D64-F229 PolarHBondContact OD2-N 3.49Å; D64-R462 VanDerWaalsContact CG-NH2 3.34Å; D64-R462 PolarHBondContact O-NH1 3.34Å; D64-R462 PolarHBondContact O-NH2 2.87Å; D64-R462 IonicContact OD1-CZ 2.76Å; D64-R462 IonicContact OD1-NH1 3.29Å; D64-R462 IonicContact OD1-NH2 3.48Å; D64-R462 PolarHBondContact OD1-NH2 3.29Å; D64-R462 IonicContact OD2-CZ 3.01Å; D64-R462 IonicContact OD2-NH1 3.31Å; D64-R462 PolarHBondContact OD2-NH1 2.85Å; D64-R462 IonicContact OD2-NH2 2.78Å; D64-R462 PolarHBondContact OD2-NH2 2.9Å |
| 65 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -59.8 | -35.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K61 E62 G67 F229 A444 D445 L448 T449 | K61-A65 WeakPolarHBondContact O-CB 3.24Å; K61-A65 PolarHBondContact O-N 3.39Å; E62-A65 PolarHBondContact O-N 3.04Å; A65-G67 PolarHBondContact O-N 2.85Å; A65-F229 HydrophobicContact CB-CE2 4.29Å; A65-A444 VanDerWaalsContact CB-C 3.49Å; A65-A444 HydrophobicContact CB-CB 4.26Å; A65-A444 VanDerWaalsContact CB-O 3.31Å; A65-A444 WeakPolarHBondContact CB-O 3.38Å; A65-D445 HydrophobicContact CB-CB 4.44Å; A65-L448 HydrophobicContact CB-CB 3.95Å; A65-T449 WeakPolarHBondContact O-CA 3.27Å; A65-T449 PolarHBondContact O-OG1 3.1Å |
| 66 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.2 | 173.2 | -70.1 | 170.8 | 0 | 0 | 0 | 113.5 | E62 V63 D64 L385 W401 L410 L448 L457 | E62-L66 WeakPolarHBondContact O-CG 3.37Å; E62-L66 PolarHBondContact O-N 3.32Å; V63-L66 PolarHBondContact O-N 3.38Å; D64-L66 PolarHBondContact O-N 3.28Å; L66-L385 HydrophobicContact CB-CD1 3.89Å; L66-L385 HydrophobicContact CB-CD2 4.03Å; L66-L385 HydrophobicContact CD1-CD2 3.78Å; L66-W401 HydrophobicContact CD1-CH2 4.03Å; L66-W401 HydrophobicContact CD1-CZ3 3.97Å; L66-W401 HydrophobicContact CD2-CH2 3.89Å; L66-W401 HydrophobicContact CD2-CZ3 4.06Å; L66-L410 HydrophobicContact CD1-CD2 3.97Å; L66-L448 HydrophobicContact CD1-CD1 4.3Å; L66-L448 HydrophobicContact CD2-CB 3.97Å; L66-L448 HydrophobicContact CG-CB 4.06Å; L66-L448 HydrophobicContact CG-CD1 4.23Å; L66-L457 WeakPolarHBondContact O-CB 3.46Å |
| 67 | G | 98 | Very high | 98.5 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 4% | 0.041 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 5.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R27 V63 D64 A65 | R27-G67 PolarHBondContact NH1-O 2.94Å; V63-G67 PolarHBondContact O-N 2.86Å; D64-G67 WeakPolarHBondContact O-CA 3.11Å; D64-G67 PolarHBondContact O-N 2.97Å; A65-G67 PolarHBondContact O-N 2.85Å |
| 68 | G | 98.3 | Very high | 98.5 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | trans | -63.7 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E20 V63 | E20-G68 WeakPolarHBondContact OE2-CA 3.32Å; V63-G68 WeakPolarHBondContact O-CA 3.37Å; V63-G68 PolarHBondContact O-N 2.75Å | ||
| 69 | L | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 9.5 Ų | 9.5 | 6% | 0.058 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -100.9 | -34 | -171.5 | -178.5 | 64.1 | 0 | 0 | 0 | 114.1 | T19 E20 M23 A71 K72 A73 V108 A111 | T19-L69 HydrophobicContact CG2-CD2 3.73Å; E20-L69 VanDerWaalsContact CD-N 3.33Å; E20-L69 WeakPolarHBondContact OE1-CA 3.33Å; E20-L69 PolarHBondContact OE1-N 3.47Å; E20-L69 PolarHBondContact OE2-N 2.89Å; M23-L69 HydrophobicContact CE-CD2 4.37Å; M23-L69 HydrophobicContact CG-CD2 4.39Å; L69-A71 VanDerWaalsContact C-N 3.28Å; L69-A71 PolarHBondContact O-N 3.04Å; L69-A71 VanDerWaalsContact O-N 3.11Å; L69-K72 PolarHBondContact O-N 2.94Å; L69-A73 HydrophobicContact CG-CB 4.39Å; L69-A73 PolarHBondContact O-N 2.72Å; L69-V108 HydrophobicContact CD2-CG1 4.47Å; L69-V108 HydrophobicContact CD2-CG2 4.41Å; L69-A111 HydrophobicContact CD1-CB 3.56Å; L69-A111 HydrophobicContact CD2-CB 3.63Å; L69-A111 HydrophobicContact CG-CB 4.25Å |
| 70 | M | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.015 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -51.6 | -41.8 | -167.5 | 177 | 166.7 | -82.6 | 0 | 0 | 113.9 | H16 E20 I51 V60 V63 A73 I74 E378 A381 | H16-M70 HydrophobicContact CB-CE 4.3Å; E20-M70 WeakPolarHBondContact OE1-CB 3.27Å; E20-M70 PolarHBondContact OE1-N 3.39Å; I51-M70 HydrophobicContact CD1-CE 4.02Å; I51-M70 HydrophobicContact CD1-CG 4.46Å; I51-M70 HydrophobicContact CD1-SD 4.21Å; I51-M70 HydrophobicContact CG2-CG 4.21Å; I51-M70 HydrophobicContact CG2-SD 4.38Å; V60-M70 HydrophobicContact CG1-CG 4.13Å; V60-M70 HydrophobicContact CG2-CG 4.27Å; V60-M70 HydrophobicContact CG2-SD 3.8Å; V63-M70 HydrophobicContact CG1-CB 4.3Å; M70-A73 PolarHBondContact O-N 3.37Å; M70-I74 WeakPolarHBondContact O-CG2 3.49Å; M70-I74 PolarHBondContact O-N 3.15Å; M70-E378 HydrophobicContact SD-CB 4.43Å; M70-E378 HydrophobicContact SD-CG 4.16Å; M70-A381 HydrophobicContact CE-CB 3.34Å; M70-A381 HydrophobicContact SD-CB 3.74Å |
| 71 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.6 | -46.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V60 D64 L69 A73 I74 D75 F227 | V60-A71 HydrophobicContact CG1-CB 3.89Å; D64-A71 HydrophobicContact CB-CB 3.52Å; L69-A71 VanDerWaalsContact C-N 3.28Å; L69-A71 PolarHBondContact O-N 3.04Å; L69-A71 VanDerWaalsContact O-N 3.11Å; A71-A73 VanDerWaalsContact C-N 3.29Å; A71-A73 PolarHBondContact O-N 3.48Å; A71-I74 WeakPolarHBondContact O-CG2 3.48Å; A71-I74 PolarHBondContact O-N 2.84Å; A71-D75 VanDerWaalsContact O-CG 3.24Å; A71-D75 PolarHBondContact O-N 3.29Å; A71-F227 HydrophobicContact CB-CB 4.07Å |
| 72 | K | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 11.7 Ų | 11.7 | 26% | 0.261 | 5% | 0.054 | S | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 174.4 | -66.7 | -177.5 | 175.6 | -177.3 | 0 | 111.2 | L69 D75 Q76 | L69-K72 PolarHBondContact O-N 2.94Å; K72-D75 PolarHBondContact O-N 3.38Å; K72-Q76 WeakPolarHBondContact O-CG 3.46Å; K72-Q76 PolarHBondContact O-N 3.42Å; K72-Q76 VanDerWaalsContact O-N 3.14Å |
| 73 | A | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L69 M70 A71 Q76 A77 Y104 A107 V108 | L69-A73 HydrophobicContact CG-CB 4.39Å; L69-A73 PolarHBondContact O-N 2.72Å; M70-A73 PolarHBondContact O-N 3.37Å; A71-A73 VanDerWaalsContact C-N 3.29Å; A71-A73 PolarHBondContact O-N 3.48Å; A73-Q76 PolarHBondContact O-N 3.44Å; A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 3.27Å; A73-Y104 HydrophobicContact CB-CD2 4.14Å; A73-Y104 HydrophobicContact CB-CE2 3.7Å; A73-A107 HydrophobicContact CB-CB 4.44Å; A73-V108 HydrophobicContact CB-CG2 3.92Å |
| 74 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.9 | -34 | 175.3 | -172.3 | 62.6 | 0 | 0 | 0 | 111.9 | I51 M70 A71 Q76 A77 G78 A97 A99 Y104 F227 | I51-I74 HydrophobicContact CB-CB 4.21Å; I51-I74 HydrophobicContact CB-CD1 3.97Å; I51-I74 HydrophobicContact CB-CG1 3.88Å; I51-I74 HydrophobicContact CG1-CB 4.33Å; I51-I74 HydrophobicContact CG1-CD1 4Å; I51-I74 HydrophobicContact CG1-CG1 4.28Å; I51-I74 HydrophobicContact CG2-CB 4.19Å; I51-I74 HydrophobicContact CG2-CG1 4.25Å; I51-I74 HydrophobicContact CG2-CG2 4.14Å; M70-I74 WeakPolarHBondContact O-CG2 3.49Å; M70-I74 PolarHBondContact O-N 3.15Å; A71-I74 WeakPolarHBondContact O-CG2 3.48Å; A71-I74 PolarHBondContact O-N 2.84Å; I74-Q76 VanDerWaalsContact C-N 3.28Å; I74-Q76 PolarHBondContact O-N 3.23Å; I74-A77 CarbonylContact O-C 3.57Å; I74-A77 PolarHBondContact O-N 3.35Å; I74-A77 VanDerWaalsContact O-N 3.12Å; I74-G78 VanDerWaalsContact O-CA 3.31Å; I74-G78 WeakPolarHBondContact O-CA 3.29Å; I74-G78 PolarHBondContact O-N 3.44Å; I74-A97 HydrophobicContact CD1-CB 3.98Å; I74-A97 HydrophobicContact CG1-CB 3.68Å; I74-A99 HydrophobicContact CD1-CB 3.59Å; I74-Y104 HydrophobicContact CB-CD2 4.47Å; I74-Y104 HydrophobicContact CB-CE2 4.21Å; I74-Y104 HydrophobicContact CD1-CD2 4.4Å; I74-F227 HydrophobicContact CG1-CD2 4.25Å; I74-F227 HydrophobicContact CG1-CE2 4.39Å; I74-F227 HydrophobicContact CG2-CB 3.74Å; I74-F227 HydrophobicContact CG2-CD2 3.52Å; I74-F227 HydrophobicContact CG2-CE2 4.24Å; I74-F227 HydrophobicContact CG2-CG 3.73Å |
| 75 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 175.3 | -71.6 | -23.4 | 0 | 0 | 0 | 111.7 | A71 K72 A77 V226 F227 S228 H236 | A71-D75 VanDerWaalsContact O-CG 3.24Å; A71-D75 PolarHBondContact O-N 3.29Å; K72-D75 PolarHBondContact O-N 3.38Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.02Å; D75-V226 WeakPolarHBondContact OD2-CG1 3.32Å; D75-F227 WeakPolarHBondContact OD1-CB 3.35Å; D75-F227 PolarHBondContact OD1-N 2.8Å; D75-S228 WeakPolarHBondContact OD2-CA 3.39Å; D75-S228 WeakPolarHBondContact OD2-CB 3.46Å; D75-S228 PolarHBondContact OD2-N 2.91Å; D75-H236 WeakPolarHBondContact O-CA 3.42Å; D75-H236 PolarHBondContact O-ND1 2.93Å; D75-H236 IonicContact OD1-CE1 3.39Å; D75-H236 PolarHBondContact OD1-CE1 2.93Å |
| 76 | Q | 98.5 | Very high | 97.8 | Very high | 92 Ų | 92 | 20 Ų | 20 | 43% | 0.43 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -77.2 | -13.8 | 176.5 | -66.3 | -65.9 | -43.2 | 0 | 0 | 114.4 | K72 A73 I74 A107 P237 | K72-Q76 WeakPolarHBondContact O-CG 3.46Å; K72-Q76 PolarHBondContact O-N 3.42Å; K72-Q76 VanDerWaalsContact O-N 3.14Å; A73-Q76 PolarHBondContact O-N 3.44Å; I74-Q76 VanDerWaalsContact C-N 3.28Å; I74-Q76 PolarHBondContact O-N 3.23Å; Q76-A107 HydrophobicContact CB-CB 4.31Å; Q76-P237 WeakPolarHBondContact O-CD 3.5Å; Q76-P237 WeakPolarHBondContact O-CG 3.36Å |
| 77 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -125.9 | -0.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | A73 I74 D75 I79 D100 L103 Y104 | A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 3.27Å; I74-A77 CarbonylContact O-C 3.57Å; I74-A77 PolarHBondContact O-N 3.35Å; I74-A77 VanDerWaalsContact O-N 3.12Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.02Å; A77-I79 PolarHBondContact O-N 2.75Å; A77-D100 PolarHBondContact O-N 3.08Å; A77-L103 HydrophobicContact CB-CB 3.71Å; A77-Y104 VanDerWaalsContact CB-CA 3.45Å; A77-Y104 HydrophobicContact CB-CD2 4.26Å; A77-Y104 HydrophobicContact CB-CG 4.49Å; A77-Y104 VanDerWaalsContact CB-N 3.26Å |
| 78 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I74 F81 Q98 P237 Q239 | I74-G78 VanDerWaalsContact O-CA 3.31Å; I74-G78 WeakPolarHBondContact O-CA 3.29Å; I74-G78 PolarHBondContact O-N 3.44Å; G78-F81 VanDerWaalsContact O-CE2 3.31Å; G78-F81 WeakPolarHBondContact O-CE2 3.41Å; G78-Q98 CarbonylContact C-O 3.59Å; G78-Q98 VanDerWaalsContact CA-O 3.26Å; G78-Q98 WeakPolarHBondContact CA-O 3.34Å; G78-P237 WeakPolarHBondContact O-CD 3.28Å; G78-Q239 PolarHBondContact O-NE2 3Å |
| 79 | I | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 1.3 | -178.3 | 65.1 | 177.9 | 0 | 0 | 0 | 112.5 | A77 Q98 D100 P237 Q239 V240 P299 L302 | A77-I79 PolarHBondContact O-N 2.75Å; I79-Q98 HydrophobicContact CG1-CB 3.85Å; I79-Q98 PolarHBondContact N-O 3.06Å; I79-D100 HydrophobicContact CG2-CB 3.76Å; I79-P237 HydrophobicContact CG2-CB 4.39Å; I79-Q239 CarbonylContact O-C 3.41Å; I79-Q239 VanDerWaalsContact O-CA 3.23Å; I79-Q239 WeakPolarHBondContact O-CA 3.41Å; I79-V240 HydrophobicContact CB-CG2 4.04Å; I79-V240 HydrophobicContact CD1-CG2 3.77Å; I79-V240 HydrophobicContact CG1-CG2 3.93Å; I79-V240 PolarHBondContact O-N 3.2Å; I79-P299 HydrophobicContact CD1-CB 4.16Å; I79-L302 HydrophobicContact CB-CD2 4.37Å; I79-L302 HydrophobicContact CG2-CD1 4.07Å; I79-L302 HydrophobicContact CG2-CD2 3.93Å; I79-L302 HydrophobicContact CG2-CG 3.74Å |
| 80 | Q | 98.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 127.5 | 170.7 | -176.1 | -178.1 | 103.5 | 0 | 0 | 108.4 | R82 A97 Q98 Q218 V240 | Q80-R82 HydrophobicContact CG-CG 4.42Å; Q80-A97 CarbonylContact O-C 3.6Å; Q80-A97 WeakPolarHBondContact O-CA 3.21Å; Q80-A97 WeakPolarHBondContact O-CB 3.23Å; Q80-Q98 HydrophobicContact CB-CB 3.93Å; Q80-Q98 HydrophobicContact CB-CG 3.86Å; Q80-Q98 PolarHBondContact O-N 2.66Å; Q80-Q218 PolarHBondContact NE2-O 2.99Å; Q80-V240 PolarHBondContact NE2-O 2.91Å |
| 81 | F | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.3 | 174.3 | -67 | -103.3 | 0 | 0 | 0 | 111.5 | G78 A97 G220 D221 M224 P225 F227 H236 | G78-F81 VanDerWaalsContact O-CE2 3.31Å; G78-F81 WeakPolarHBondContact O-CE2 3.41Å; F81-A97 HydrophobicContact CD1-CB 3.53Å; F81-A97 HydrophobicContact CE1-CB 3.61Å; F81-A97 HydrophobicContact CG-CB 3.99Å; F81-A97 HydrophobicContact CZ-CB 4.13Å; F81-G220 CarbonylContact O-C 3.49Å; F81-G220 VanDerWaalsContact O-CA 3.23Å; F81-G220 WeakPolarHBondContact O-CA 3.34Å; F81-D221 PolarHBondContact O-N 3.2Å; F81-M224 HydrophobicContact CB-CG 3.98Å; F81-M224 HydrophobicContact CD2-CG 4.06Å; F81-M224 HydrophobicContact CD2-SD 3.83Å; F81-M224 HydrophobicContact CE2-SD 4.37Å; F81-M224 HydrophobicContact CG-CG 4.29Å; F81-P225 HydrophobicContact CB-CB 4.22Å; F81-P225 HydrophobicContact CB-CG 4.25Å; F81-P225 VanDerWaalsContact CD1-O 3.25Å; F81-P225 WeakPolarHBondContact CD1-O 3.42Å; F81-P225 WeakPolarHBondContact CG-O 3.41Å; F81-F227 HydrophobicContact CD1-CD2 4.14Å; F81-F227 HydrophobicContact CD1-CE2 4.44Å; F81-F227 AromaticContact CE1-CD2 3.9Å; F81-F227 HydrophobicContact CE1-CD2 3.9Å; F81-F227 HydrophobicContact CE1-CE2 4.48Å; F81-H236 AromaticContact CE1-CE1 3.78Å; F81-H236 HydrophobicContact CE2-CB 3.95Å; F81-H236 AromaticContact CE2-CD2 3.73Å; F81-H236 AromaticContact CE2-CE1 3.83Å; F81-H236 AromaticContact CE2-CG 3.43Å; F81-H236 VanDerWaalsContact CE2-CG 3.43Å; F81-H236 AromaticContact CE2-ND1 3.51Å; F81-H236 AromaticContact CE2-NE2 3.97Å; F81-H236 AromaticContact CZ-CE1 3.38Å; F81-H236 WeakPolarHBondContact CZ-CE1 3.23Å; F81-H236 AromaticContact CZ-CG 3.77Å; F81-H236 AromaticContact CZ-ND1 3.32Å; F81-H236 VanDerWaalsContact CZ-ND1 3.32Å; F81-H236 WeakPolarHBondContact CZ-ND1 3.47Å; F81-H236 AromaticContact CZ-NE2 3.85Å |
| 82 | R | 98 | Very high | 94.5 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 24% | 0.242 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 147.1 | 178.8 | -63.1 | -169 | 66.1 | -144.7 | -4.7 | 112.4 | Q80 T95 R96 H219 D221 | Q80-R82 HydrophobicContact CG-CG 4.42Å; R82-T95 WeakPolarHBondContact O-CA 3.36Å; R82-R96 PolarHBondContact N-O 2.85Å; R82-R96 PolarHBondContact O-N 2.68Å; R82-H219 WeakPolarHBondContact CD-O 3.42Å; R82-D221 WeakPolarHBondContact CA-OD2 3.47Å; R82-D221 IonicContact NE-OD1 3.72Å; R82-D221 PolarHBondContact NE-OD1 2.98Å |
| 83 | I | 97.4 | Very high | 94.3 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 105.6 | 166.6 | -56.9 | -55.6 | 0 | 0 | 0 | 109.5 | A86 R93 T95 D221 P225 | I83-A86 HydrophobicContact CB-CB 4.48Å; I83-A86 HydrophobicContact CG2-CB 4.15Å; I83-R93 HydrophobicContact CG2-CB 4.03Å; I83-R93 HydrophobicContact CG2-CG 4.11Å; I83-T95 HydrophobicContact CD1-CG2 4.05Å; I83-T95 WeakPolarHBondContact CD1-OG1 3.46Å; I83-D221 PolarHBondContact N-OD2 2.85Å; I83-P225 HydrophobicContact CD1-CB 3.71Å; I83-P225 HydrophobicContact CD1-CG 3.8Å; I83-P225 HydrophobicContact CG1-CB 4.14Å; I83-P225 HydrophobicContact CG1-CG 3.67Å |
| 84 | L | 95.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 22% | 0.22 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 146.2 | 170.6 | -50.9 | -174.5 | 0 | 0 | 0 | 110 | I54 A86 R93 A94 R96 | I54-L84 HydrophobicContact CG1-CD1 4.31Å; L84-A86 PolarHBondContact O-N 3.13Å; L84-R93 WeakPolarHBondContact O-CA 3.44Å; L84-A94 HydrophobicContact CB-CB 4.49Å; L84-A94 WeakPolarHBondContact CB-O 3.37Å; L84-A94 WeakPolarHBondContact CG-O 3.4Å; L84-A94 PolarHBondContact N-O 3.5Å; L84-A94 PolarHBondContact O-N 2.74Å; L84-R96 HydrophobicContact CD1-CB 4.15Å; L84-R96 HydrophobicContact CG-CB 4.2Å |
| 85 | N | 93.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.3 | -178.4 | -62.8 | -38.8 | 0 | 0 | 0 | 114.7 | S87 K88 V92 | N85-S87 PolarHBondContact O-N 2.97Å; N85-K88 HydrophobicContact CB-CB 4.25Å; N85-K88 HydrophobicContact CB-CD 4.26Å; N85-K88 HydrophobicContact CB-CG 4.45Å; N85-K88 PolarHBondContact O-N 3.37Å; N85-V92 HydrophobicContact CB-CG2 4.24Å; N85-V92 VanDerWaalsContact CB-O 3.31Å; N85-V92 WeakPolarHBondContact CB-O 3.35Å; N85-V92 PolarHBondContact ND2-O 3.06Å |
| 86 | A | 91.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 40% | 0.397 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -47.1 | -37.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | I83 L84 R93 | I83-A86 HydrophobicContact CB-CB 4.48Å; I83-A86 HydrophobicContact CG2-CB 4.15Å; L84-A86 PolarHBondContact O-N 3.13Å; A86-R93 PolarHBondContact O-NE 3.33Å; A86-R93 PolarHBondContact O-NH2 2.88Å |
| 87 | S | 90 | Very high | 94.2 | Very high | 120 Ų | 120 | 33 Ų | 33 | 84% | 0.839 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -83.3 | -4 | -179.1 | 60.3 | 0 | 0 | 0 | 0 | 116.1 | N85 | N85-S87 PolarHBondContact O-N 2.97Š|
| 88 | K | 88.5 | Confident | 94.2 | Very high | 145 Ų | 145 | 33 Ų | 33 | 63% | 0.63 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -102.3 | 9.7 | -173.9 | -63 | -174.3 | 178.5 | 172.4 | 0 | 114.7 | N85 V92 | N85-K88 HydrophobicContact CB-CB 4.25Å; N85-K88 HydrophobicContact CB-CD 4.26Å; N85-K88 HydrophobicContact CB-CG 4.45Å; N85-K88 PolarHBondContact O-N 3.37Å; K88-V92 HydrophobicContact CB-CG2 3.42Å; K88-V92 VanDerWaalsContact CB-CG2 3.42Å; K88-V92 WeakPolarHBondContact O-CG2 3.49Å |
| 89 | G | 86 | Confident | 94.2 | Very high | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | trans | 85.2 | 159.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A91 V92 R93 | G89-A91 VanDerWaalsContact C-N 3.29Å; G89-A91 PolarHBondContact O-N 3.45Å; G89-A91 VanDerWaalsContact O-N 3.16Å; G89-V92 PolarHBondContact O-N 3.39Å; G89-R93 WeakPolarHBondContact O-CG 3.42Å; G89-R93 PolarHBondContact O-N 3.08Å | ||
| 90 | P | 86.9 | Confident | 94.2 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -56.3 | -34.8 | -168.3 | -27.7 | 37.3 | 0 | 0 | 0 | 115.1 | V92 R93 I544 Y548 | P90-V92 PolarHBondContact O-N 3.1Å; P90-R93 PolarHBondContact O-N 3.32Å; P90-I544 HydrophobicContact CB-CD1 4.15Å; P90-I544 HydrophobicContact CB-CG1 4.43Å; P90-I544 HydrophobicContact CB-CG2 4.07Å; P90-I544 HydrophobicContact CG-CD1 4.02Å; P90-I544 HydrophobicContact CG-CG1 3.85Å; P90-I544 HydrophobicContact CG-CG2 3.98Å; P90-Y548 WeakPolarHBondContact CD-OH 3.22Å; P90-Y548 HydrophobicContact CG-CD2 4.14Å; P90-Y548 HydrophobicContact CG-CE2 3.55Å |
| 91 | A | 83.6 | Confident | 94.2 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -65.1 | -10.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | G89 R436 L437 | G89-A91 VanDerWaalsContact C-N 3.29Å; G89-A91 PolarHBondContact O-N 3.45Å; G89-A91 VanDerWaalsContact O-N 3.16Å; A91-R436 WeakPolarHBondContact CB-O 3.4Å; A91-L437 HydrophobicContact CB-CD2 3.74Å; A91-L437 HydrophobicContact CB-CG 4.46Å |
| 92 | V | 87 | Confident | 94.1 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -132.2 | 1.8 | 178 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | N85 K88 G89 P90 | N85-V92 HydrophobicContact CB-CG2 4.24Å; N85-V92 VanDerWaalsContact CB-O 3.31Å; N85-V92 WeakPolarHBondContact CB-O 3.35Å; N85-V92 PolarHBondContact ND2-O 3.06Å; K88-V92 HydrophobicContact CB-CG2 3.42Å; K88-V92 VanDerWaalsContact CB-CG2 3.42Å; K88-V92 WeakPolarHBondContact O-CG2 3.49Å; G89-V92 PolarHBondContact O-N 3.39Å; P90-V92 PolarHBondContact O-N 3.1Å |
| 93 | R | 94.2 | Very high | 94.2 | Very high | 84 Ų | 84 | 36.7 Ų | 36.7 | 32% | 0.317 | 20% | 0.201 | S | C | . | . | trans | -65.6 | 138.2 | 172.3 | -75.8 | -179.4 | -172.6 | 168.6 | -0.2 | 108.7 | H58 I83 L84 A86 G89 P90 | H58-R93 PolarHBondContact CE1-O 3.22Å; I83-R93 HydrophobicContact CG2-CB 4.03Å; I83-R93 HydrophobicContact CG2-CG 4.11Å; L84-R93 WeakPolarHBondContact O-CA 3.44Å; A86-R93 PolarHBondContact O-NE 3.33Å; A86-R93 PolarHBondContact O-NH2 2.88Å; G89-R93 WeakPolarHBondContact O-CG 3.42Å; G89-R93 PolarHBondContact O-N 3.08Å; P90-R93 PolarHBondContact O-N 3.32Å | ||
| 94 | A | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 128.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I54 L84 E441 | I54-A94 HydrophobicContact CG1-CB 4.37Å; L84-A94 HydrophobicContact CB-CB 4.49Å; L84-A94 WeakPolarHBondContact CB-O 3.37Å; L84-A94 WeakPolarHBondContact CG-O 3.4Å; L84-A94 PolarHBondContact N-O 3.5Å; L84-A94 PolarHBondContact O-N 2.74Å; A94-E441 WeakPolarHBondContact CA-OE1 3.35Å; A94-E441 WeakPolarHBondContact CA-OE2 3.25Å; A94-E441 WeakPolarHBondContact CB-OE1 3.47Å |
| 95 | T | 98.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.8 | 177.4 | -47.8 | 0 | 0 | 0 | 0 | 109 | G53 R82 I83 P225 F227 E441 | G53-T95 PolarHBondContact N-O 3.27Å; R82-T95 WeakPolarHBondContact O-CA 3.36Å; I83-T95 HydrophobicContact CD1-CG2 4.05Å; I83-T95 WeakPolarHBondContact CD1-OG1 3.46Å; T95-P225 HydrophobicContact CG2-CB 4.18Å; T95-F227 HydrophobicContact CG2-CD1 4.22Å; T95-F227 HydrophobicContact CG2-CD2 3.87Å; T95-F227 HydrophobicContact CG2-CE1 3.94Å; T95-F227 HydrophobicContact CG2-CE2 3.56Å; T95-F227 HydrophobicContact CG2-CG 4.2Å; T95-F227 HydrophobicContact CG2-CZ 3.61Å; T95-F227 VanDerWaalsContact O-CZ 3.25Å; T95-F227 WeakPolarHBondContact O-CZ 3.41Å; T95-E441 WeakPolarHBondContact CB-OE2 3.49Å; T95-E441 PolarHBondContact N-OE1 3.46Å; T95-E441 PolarHBondContact N-OE2 3.32Å; T95-E441 PolarHBondContact OG1-OE2 2.83Å |
| 96 | R | 98.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 18% | 0.177 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136 | 172.2 | -175.8 | 175.6 | 179.4 | -88.6 | 3.9 | 109.1 | A50 I51 R82 L84 E298 | A50-R96 VanDerWaalsContact CB-NH2 3.25Å; I51-R96 WeakPolarHBondContact O-CA 3.41Å; R82-R96 PolarHBondContact N-O 2.85Å; R82-R96 PolarHBondContact O-N 2.68Å; L84-R96 HydrophobicContact CD1-CB 4.15Å; L84-R96 HydrophobicContact CG-CB 4.2Å; R96-E298 IonicContact CZ-OE1 3.61Å; R96-E298 IonicContact NH1-OE1 3.68Å; R96-E298 IonicContact NH2-OE1 2.77Å; R96-E298 PolarHBondContact NH2-OE1 2.94Å; R96-E298 IonicContact NH2-OE2 3.16Å |
| 97 | A | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A50 I51 I74 Q80 F81 F227 | A50-A97 CarbonylContact C-O 3.56Å; A50-A97 WeakPolarHBondContact CA-O 3.27Å; A50-A97 VanDerWaalsContact CB-O 3.3Å; A50-A97 WeakPolarHBondContact CB-O 3.45Å; I51-A97 PolarHBondContact N-O 3.45Å; I51-A97 PolarHBondContact O-N 2.92Å; I74-A97 HydrophobicContact CD1-CB 3.98Å; I74-A97 HydrophobicContact CG1-CB 3.68Å; Q80-A97 CarbonylContact O-C 3.6Å; Q80-A97 WeakPolarHBondContact O-CA 3.21Å; Q80-A97 WeakPolarHBondContact O-CB 3.23Å; F81-A97 HydrophobicContact CD1-CB 3.53Å; F81-A97 HydrophobicContact CE1-CB 3.61Å; F81-A97 HydrophobicContact CG-CB 3.99Å; F81-A97 HydrophobicContact CZ-CB 4.13Å; A97-F227 HydrophobicContact CB-CD2 4.26Å; A97-F227 HydrophobicContact CB-CE2 3.69Å |
| 98 | Q | 98.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 136.6 | 162.6 | -59.2 | -68.4 | -2.6 | 0 | 0 | 108.5 | P49 G78 I79 Q80 C242 E298 | P49-Q98 CarbonylContact O-C 3.36Å; P49-Q98 WeakPolarHBondContact O-CA 3.35Å; P49-Q98 PolarHBondContact O-OE1 3.45Å; G78-Q98 CarbonylContact C-O 3.59Å; G78-Q98 VanDerWaalsContact CA-O 3.26Å; G78-Q98 WeakPolarHBondContact CA-O 3.34Å; I79-Q98 HydrophobicContact CG1-CB 3.85Å; I79-Q98 PolarHBondContact N-O 3.06Å; Q80-Q98 HydrophobicContact CB-CB 3.93Å; Q80-Q98 HydrophobicContact CB-CG 3.86Å; Q80-Q98 PolarHBondContact O-N 2.66Å; Q98-C242 PolarHBondContact NE2-SG 3.22Å; Q98-E298 PolarHBondContact NE2-OE1 2.91Å |
| 99 | A | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M45 P49 I74 R101 | M45-A99 HydrophobicContact CE-CB 3.94Å; M45-A99 HydrophobicContact SD-CB 3.66Å; P49-A99 PolarHBondContact O-N 3.44Å; I74-A99 HydrophobicContact CD1-CB 3.59Å; A99-R101 PolarHBondContact O-N 3.21Å |
| 100 | D | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.011 | 14% | 0.142 | C | C | . | . | trans | -68.8 | 116.1 | 152.7 | -178.9 | -45.7 | 0 | 0 | 0 | 108.2 | A77 I79 V102 L103 Y104 G301 L302 | A77-D100 PolarHBondContact O-N 3.08Å; I79-D100 HydrophobicContact CG2-CB 3.76Å; D100-V102 VanDerWaalsContact C-N 3.27Å; D100-V102 PolarHBondContact O-N 2.9Å; D100-V102 WeakPolarHBondContact OD1-CA 3.49Å; D100-V102 WeakPolarHBondContact OD1-CB 3.4Å; D100-V102 PolarHBondContact OD1-N 3.15Å; D100-L103 HydrophobicContact CB-CB 3.96Å; D100-L103 HydrophobicContact CB-CD1 3.87Å; D100-L103 HydrophobicContact CB-CG 3.91Å; D100-L103 PolarHBondContact O-N 2.89Å; D100-L103 PolarHBondContact OD1-N 3.28Å; D100-Y104 WeakPolarHBondContact O-CB 3.42Å; D100-Y104 PolarHBondContact O-N 2.87Å; D100-G301 VanDerWaalsContact CG-CA 3.48Å; D100-G301 WeakPolarHBondContact OD2-CA 3.45Å; D100-L302 PolarHBondContact OD2-N 2.97Å | ||
| 101 | R | 98.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -32.2 | -176.4 | -74.6 | 180 | 157.4 | -155 | -13.2 | 113.9 | M45 C47 P49 A99 R105 E300 | M45-R101 HydrophobicContact CB-CG 4.32Å; M45-R101 PolarHBondContact O-NH1 3.12Å; M45-R101 PolarHBondContact O-NH2 2.61Å; M45-R101 HydrophobicContact SD-CG 4.27Å; C47-R101 PolarHBondContact O-NH2 3.01Å; P49-R101 HydrophobicContact CB-CG 4.11Å; A99-R101 PolarHBondContact O-N 3.21Å; R101-R105 WeakPolarHBondContact O-CB 3.44Å; R101-R105 PolarHBondContact O-N 2.98Å; R101-R105 VanDerWaalsContact O-N 3.14Å; R101-E300 WeakPolarHBondContact CD-OE2 3.29Å; R101-E300 IonicContact CZ-OE1 3.75Å; R101-E300 IonicContact CZ-OE2 2.68Å; R101-E300 VanDerWaalsContact CZ-OE2 3.31Å; R101-E300 PolarHBondContact N-O 2.98Å; R101-E300 IonicContact NE-OE2 3.02Å; R101-E300 PolarHBondContact NE-OE2 3.36Å; R101-E300 VanDerWaalsContact NH1-CD 3.35Å; R101-E300 IonicContact NH1-OE1 2.81Å; R101-E300 PolarHBondContact NH1-OE1 3.27Å; R101-E300 IonicContact NH1-OE2 3.36Å; R101-E300 PolarHBondContact NH1-OE2 3.03Å |
| 102 | V | 98.2 | Very high | 97.7 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 39% | 0.388 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -71.8 | -47.7 | 178 | 178.7 | 0 | 0 | 0 | 0 | 109 | D100 R105 Q106 | D100-V102 VanDerWaalsContact C-N 3.27Å; D100-V102 PolarHBondContact O-N 2.9Å; D100-V102 WeakPolarHBondContact OD1-CA 3.49Å; D100-V102 WeakPolarHBondContact OD1-CB 3.4Å; D100-V102 PolarHBondContact OD1-N 3.15Å; V102-R105 PolarHBondContact O-N 3.34Å; V102-Q106 VanDerWaalsContact O-CB 3.3Å; V102-Q106 WeakPolarHBondContact O-CB 3.36Å; V102-Q106 PolarHBondContact O-N 2.95Å |
| 103 | L | 98.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 34% | 0.335 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.2 | -63.7 | -178.5 | 0 | 0 | 0 | 111.9 | A77 D100 Q106 A107 P237 L302 | A77-L103 HydrophobicContact CB-CB 3.71Å; D100-L103 HydrophobicContact CB-CB 3.96Å; D100-L103 HydrophobicContact CB-CD1 3.87Å; D100-L103 HydrophobicContact CB-CG 3.91Å; D100-L103 PolarHBondContact O-N 2.89Å; D100-L103 PolarHBondContact OD1-N 3.28Å; L103-Q106 PolarHBondContact O-N 3.29Å; L103-A107 WeakPolarHBondContact O-CB 3.27Å; L103-A107 PolarHBondContact O-N 3.45Å; L103-P237 HydrophobicContact CD1-CB 4.02Å; L103-P237 HydrophobicContact CD1-CG 3.63Å; L103-L302 HydrophobicContact CD1-CD1 4.42Å |
| 104 | Y | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 179.2 | -173.2 | -87.9 | 0 | 0 | 0 | 111.3 | H16 G43 M45 I51 A73 I74 A77 D100 Q106 A107 V108 | H16-Y104 AromaticContact NE2-CE1 3.86Å; G43-Y104 WeakPolarHBondContact O-CD1 3.4Å; M45-Y104 HydrophobicContact CG-CD1 3.99Å; M45-Y104 HydrophobicContact CG-CE1 4.32Å; M45-Y104 HydrophobicContact SD-CD1 4Å; M45-Y104 HydrophobicContact SD-CG 4.04Å; I51-Y104 HydrophobicContact CD1-CE2 4.4Å; I51-Y104 HydrophobicContact CG1-CE2 4.04Å; A73-Y104 HydrophobicContact CB-CD2 4.14Å; A73-Y104 HydrophobicContact CB-CE2 3.7Å; I74-Y104 HydrophobicContact CB-CD2 4.47Å; I74-Y104 HydrophobicContact CB-CE2 4.21Å; I74-Y104 HydrophobicContact CD1-CD2 4.4Å; A77-Y104 VanDerWaalsContact CB-CA 3.45Å; A77-Y104 HydrophobicContact CB-CD2 4.26Å; A77-Y104 HydrophobicContact CB-CG 4.49Å; A77-Y104 VanDerWaalsContact CB-N 3.26Å; D100-Y104 WeakPolarHBondContact O-CB 3.42Å; D100-Y104 PolarHBondContact O-N 2.87Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 PolarHBondContact O-N 3.39Å; Y104-A107 PolarHBondContact O-N 3.41Å; Y104-V108 HydrophobicContact CD1-CG2 4.12Å; Y104-V108 HydrophobicContact CE1-CG2 3.73Å; Y104-V108 WeakPolarHBondContact O-CG2 3.35Å; Y104-V108 PolarHBondContact O-N 3.35Å |
| 105 | R | 98.1 | Very high | 98.5 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 25% | 0.249 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 176 | -166 | 176 | 63.3 | -116.8 | -13.1 | 111.6 | D40 L42 Q44 R101 V102 R109 | D40-R105 WeakPolarHBondContact O-CD 3.35Å; D40-R105 PolarHBondContact O-NE 3.29Å; L42-R105 WeakPolarHBondContact O-CG 3.45Å; Q44-R105 VanDerWaalsContact OE1-NH1 3.11Å; R101-R105 WeakPolarHBondContact O-CB 3.44Å; R101-R105 PolarHBondContact O-N 2.98Å; R101-R105 VanDerWaalsContact O-N 3.14Å; V102-R105 PolarHBondContact O-N 3.34Å; R105-R109 WeakPolarHBondContact O-CB 3.46Å; R105-R109 PolarHBondContact O-N 2.95Å |
| 106 | Q | 98.3 | Very high | 98.5 | Very high | 79 Ų | 79 | 40.4 Ų | 40.4 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 175.8 | -178.1 | 62.3 | 35.8 | 0 | 0 | 111.7 | V102 L103 Y104 V108 R109 T110 | V102-Q106 VanDerWaalsContact O-CB 3.3Å; V102-Q106 WeakPolarHBondContact O-CB 3.36Å; V102-Q106 PolarHBondContact O-N 2.95Å; L103-Q106 PolarHBondContact O-N 3.29Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 PolarHBondContact O-N 3.39Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 2.87Å; Q106-R109 PolarHBondContact O-N 3.44Å; Q106-T110 PolarHBondContact NE2-OG1 2.9Å; Q106-T110 WeakPolarHBondContact O-CB 3.47Å; Q106-T110 PolarHBondContact O-N 3Å; Q106-T110 PolarHBondContact O-OG1 2.85Å; Q106-T110 VanDerWaalsContact O-OG1 3.13Å |
| 107 | A | 98.5 | Very high | 98.5 | Very high | 23 Ų | 23 | 41 Ų | 41 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A73 Q76 L103 Y104 A111 | A73-A107 HydrophobicContact CB-CB 4.44Å; Q76-A107 HydrophobicContact CB-CB 4.31Å; L103-A107 WeakPolarHBondContact O-CB 3.27Å; L103-A107 PolarHBondContact O-N 3.45Å; Y104-A107 PolarHBondContact O-N 3.41Å; A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.17Å |
| 108 | V | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -49 | 176.5 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | T19 L69 A73 Y104 Q106 A111 L112 | T19-V108 HydrophobicContact CG2-CG1 3.63Å; L69-V108 HydrophobicContact CD2-CG1 4.47Å; L69-V108 HydrophobicContact CD2-CG2 4.41Å; A73-V108 HydrophobicContact CB-CG2 3.92Å; Y104-V108 HydrophobicContact CD1-CG2 4.12Å; Y104-V108 HydrophobicContact CE1-CG2 3.73Å; Y104-V108 WeakPolarHBondContact O-CG2 3.35Å; Y104-V108 PolarHBondContact O-N 3.35Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 2.87Å; V108-A111 PolarHBondContact O-N 2.81Å; V108-L112 HydrophobicContact CG1-CD1 3.79Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.87Å |
| 109 | R | 98.5 | Very high | 98.5 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -50.6 | 179.2 | 179.2 | 176.3 | 67 | 169.7 | 3.8 | 111.4 | D40 L42 R105 Q106 A111 L112 E113 | D40-R109 IonicContact OD1-NH1 3Å; D40-R109 PolarHBondContact OD1-NH1 2.83Å; L42-R109 HydrophobicContact CB-CB 4.34Å; L42-R109 HydrophobicContact CD1-CG 4.42Å; R105-R109 WeakPolarHBondContact O-CB 3.46Å; R105-R109 PolarHBondContact O-N 2.95Å; Q106-R109 PolarHBondContact O-N 3.44Å; R109-A111 VanDerWaalsContact C-N 3.28Å; R109-A111 PolarHBondContact O-N 3.47Å; R109-L112 PolarHBondContact O-N 2.87Å; R109-E113 WeakPolarHBondContact CD-OE1 3.47Å; R109-E113 HydrophobicContact CG-CG 4.17Å; R109-E113 VanDerWaalsContact CG-OE1 3.26Å; R109-E113 WeakPolarHBondContact CG-OE1 3.47Å; R109-E113 WeakPolarHBondContact O-CB 3.04Å; R109-E113 WeakPolarHBondContact O-CG 3.39Å; R109-E113 PolarHBondContact O-N 2.93Å |
| 110 | T | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -40.4 | 179.6 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | Q106 N114 | Q106-T110 PolarHBondContact NE2-OG1 2.9Å; Q106-T110 WeakPolarHBondContact O-CB 3.47Å; Q106-T110 PolarHBondContact O-N 3Å; Q106-T110 PolarHBondContact O-OG1 2.85Å; Q106-T110 VanDerWaalsContact O-OG1 3.13Å; T110-N114 WeakPolarHBondContact O-CB 3.13Å; T110-N114 PolarHBondContact O-N 3.07Å; T110-N114 PolarHBondContact O-ND2 3.44Å |
| 111 | A | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M23 L69 A107 V108 R109 Q115 | M23-A111 HydrophobicContact CE-CB 4.21Å; L69-A111 HydrophobicContact CD1-CB 3.56Å; L69-A111 HydrophobicContact CD2-CB 3.63Å; L69-A111 HydrophobicContact CG-CB 4.25Å; A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.17Å; V108-A111 PolarHBondContact O-N 2.81Å; R109-A111 VanDerWaalsContact C-N 3.28Å; R109-A111 PolarHBondContact O-N 3.47Å; A111-Q115 WeakPolarHBondContact O-CB 3.43Å; A111-Q115 PolarHBondContact O-N 2.83Å |
| 112 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.9 | -72.8 | 163.9 | 0 | 0 | 0 | 111.8 | T19 A22 M23 L34 L42 V108 R109 N114 Q115 L118 I120 | T19-L112 HydrophobicContact CG2-CD1 4.08Å; T19-L112 HydrophobicContact CG2-CD2 4.21Å; T19-L112 HydrophobicContact CG2-CG 4.25Å; A22-L112 HydrophobicContact CB-CD2 4.2Å; M23-L112 HydrophobicContact CG-CD2 3.73Å; M23-L112 HydrophobicContact SD-CD2 3.67Å; M23-L112 HydrophobicContact SD-CG 4.25Å; L34-L112 HydrophobicContact CD2-CD1 4.23Å; L34-L112 HydrophobicContact CD2-CD2 4.26Å; L42-L112 HydrophobicContact CB-CD1 4.24Å; L42-L112 HydrophobicContact CD1-CD1 4.08Å; L42-L112 HydrophobicContact CD2-CD1 4.28Å; L42-L112 HydrophobicContact CG-CD1 4.43Å; V108-L112 HydrophobicContact CG1-CD1 3.79Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.87Å; R109-L112 PolarHBondContact O-N 2.87Å; L112-N114 PolarHBondContact O-N 3.12Å; L112-Q115 PolarHBondContact O-N 2.77Å; L112-L118 HydrophobicContact CB-CD2 4.24Å; L112-L118 HydrophobicContact CD2-CD2 3.6Å; L112-I120 HydrophobicContact CB-CD1 3.9Å |
| 113 | E | 98.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -26.6 | -179 | -74.9 | 172.9 | 170.4 | 0 | 0 | 113.1 | R109 I120 | R109-E113 WeakPolarHBondContact CD-OE1 3.47Å; R109-E113 HydrophobicContact CG-CG 4.17Å; R109-E113 VanDerWaalsContact CG-OE1 3.26Å; R109-E113 WeakPolarHBondContact CG-OE1 3.47Å; R109-E113 WeakPolarHBondContact O-CB 3.04Å; R109-E113 WeakPolarHBondContact O-CG 3.39Å; R109-E113 PolarHBondContact O-N 2.93Å; E113-I120 HydrophobicContact CG-CD1 3.86Å |
| 114 | N | 98.5 | Very high | 98.2 | Very high | 122 Ų | 122 | 48.2 Ų | 48.2 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.8 | -177.8 | -66.6 | -77.7 | 0 | 0 | 0 | 113.5 | T110 L112 P116 | T110-N114 WeakPolarHBondContact O-CB 3.13Å; T110-N114 PolarHBondContact O-N 3.07Å; T110-N114 PolarHBondContact O-ND2 3.44Å; L112-N114 PolarHBondContact O-N 3.12Å; N114-P116 WeakPolarHBondContact O-CD 3.1Å |
| 115 | Q | 98.4 | Very high | 98.1 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | trans | -82.7 | 120.1 | 177.9 | 174.7 | 57.4 | 61.2 | 0 | 0 | 110.5 | M23 A26 R27 A111 L112 L118 | M23-Q115 HydrophobicContact CE-CB 4.12Å; M23-Q115 HydrophobicContact CE-CG 4.2Å; M23-Q115 HydrophobicContact SD-CB 3.71Å; M23-Q115 HydrophobicContact SD-CG 3.77Å; A26-Q115 HydrophobicContact CB-CG 3.81Å; R27-Q115 VanDerWaalsContact CG-OE1 3.27Å; A111-Q115 WeakPolarHBondContact O-CB 3.43Å; A111-Q115 PolarHBondContact O-N 2.83Å; L112-Q115 PolarHBondContact O-N 2.77Å; Q115-L118 HydrophobicContact CB-CB 4.21Å; Q115-L118 HydrophobicContact CB-CD2 4.28Å; Q115-L118 HydrophobicContact CG-CB 4.18Å; Q115-L118 HydrophobicContact CG-CD2 4.48Å; Q115-L118 WeakPolarHBondContact O-CB 3.24Å; Q115-L118 PolarHBondContact O-N 3.08Å | ||
| 116 | P | 98.2 | Very high | 97.9 | Very high | 88 Ų | 88 | 48 Ų | 48 | 57% | 0.571 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 145.2 | 173 | -27.4 | 34.8 | 0 | 0 | 0 | 112.6 | A26 N114 L118 | A26-P116 WeakPolarHBondContact CB-O 3.32Å; N114-P116 WeakPolarHBondContact O-CD 3.1Å; P116-L118 PolarHBondContact O-N 2.95Å |
| 117 | N | 98.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 47 Ų | 47 | 33% | 0.326 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 8.7 | -177.3 | -45 | -57.5 | 0 | 0 | 0 | 115.8 | A26 Q30 Q31 T32 | A26-N117 HydrophobicContact CB-CB 4.33Å; A26-N117 PolarHBondContact O-ND2 3.46Å; A26-N117 VanDerWaalsContact O-ND2 3.11Å; Q30-N117 WeakPolarHBondContact O-CB 3.38Å; Q31-N117 PolarHBondContact NE2-OD1 2.92Å; Q31-N117 VanDerWaalsContact NE2-OD1 3.16Å; T32-N117 PolarHBondContact N-O 2.68Å |
| 118 | L | 98.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.4 | 176.7 | -176.8 | 56.9 | 0 | 0 | 0 | 111.3 | A22 M23 A26 T32 L34 L112 Q115 P116 | A22-L118 HydrophobicContact CB-CD1 3.9Å; A22-L118 HydrophobicContact CB-CD2 4.05Å; M23-L118 HydrophobicContact SD-CD2 4.45Å; A26-L118 HydrophobicContact CB-CB 3.89Å; T32-L118 HydrophobicContact CG2-CD1 3.79Å; L34-L118 HydrophobicContact CB-CD1 3.99Å; L112-L118 HydrophobicContact CB-CD2 4.24Å; L112-L118 HydrophobicContact CD2-CD2 3.6Å; Q115-L118 HydrophobicContact CB-CB 4.21Å; Q115-L118 HydrophobicContact CB-CD2 4.28Å; Q115-L118 HydrophobicContact CG-CB 4.18Å; Q115-L118 HydrophobicContact CG-CD2 4.48Å; Q115-L118 WeakPolarHBondContact O-CB 3.24Å; Q115-L118 PolarHBondContact O-N 3.08Å; P116-L118 PolarHBondContact O-N 2.95Å |
| 119 | M | 98.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.3 | 166.7 | -178.9 | 177.5 | 172.5 | 0 | 0 | 109.6 | Y3 F7 T32 L33 L34 F121 | Y3-M119 HydrophobicContact CE2-CE 4.4Å; F7-M119 HydrophobicContact CE1-CB 4.03Å; F7-M119 HydrophobicContact CE1-SD 4.18Å; F7-M119 HydrophobicContact CZ-CB 4.45Å; F7-M119 HydrophobicContact CZ-SD 3.68Å; T32-M119 PolarHBondContact O-N 3.06Å; L33-M119 CarbonylContact C-O 3.54Å; L33-M119 WeakPolarHBondContact CA-O 3.4Å; L33-M119 HydrophobicContact CD1-CB 4.14Å; L33-M119 HydrophobicContact CD1-CG 3.99Å; L33-M119 HydrophobicContact CD1-SD 4.16Å; L34-M119 PolarHBondContact N-O 2.83Å; M119-F121 HydrophobicContact CE-CB 4.41Å; M119-F121 HydrophobicContact CE-CD2 3.9Å |
| 120 | I | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 17% | 0.174 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.1 | 171.3 | -55.5 | 176.3 | 0 | 0 | 0 | 108.5 | L34 I39 L42 L112 E113 | L34-I120 HydrophobicContact CD2-CG1 4.39Å; I39-I120 HydrophobicContact CD1-CG2 3.84Å; I39-I120 HydrophobicContact CG1-CG2 3.81Å; L42-I120 HydrophobicContact CD1-CD1 3.99Å; L42-I120 HydrophobicContact CD1-CG2 4.4Å; L112-I120 HydrophobicContact CB-CD1 3.9Å; E113-I120 HydrophobicContact CG-CD1 3.86Å |
| 121 | F | 98.1 | Very high | 97.1 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 20% | 0.202 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 124 | 177.8 | -170.4 | -97.2 | 0 | 0 | 0 | 111.5 | L33 L34 L35 T36 M119 Q123 M142 L144 F146 | L33-F121 HydrophobicContact CD1-CB 3.79Å; L34-F121 PolarHBondContact O-N 3.17Å; L35-F121 WeakPolarHBondContact CA-O 3.49Å; L35-F121 HydrophobicContact CD2-CB 4.02Å; L35-F121 HydrophobicContact CD2-CD1 3.71Å; L35-F121 HydrophobicContact CD2-CG 4.33Å; T36-F121 PolarHBondContact N-O 3.42Å; M119-F121 HydrophobicContact CE-CB 4.41Å; M119-F121 HydrophobicContact CE-CD2 3.9Å; F121-Q123 HydrophobicContact CD1-CB 4.08Å; F121-Q123 HydrophobicContact CD1-CG 3.96Å; F121-Q123 HydrophobicContact CE1-CB 4.03Å; F121-Q123 HydrophobicContact CE1-CG 3.41Å; F121-Q123 VanDerWaalsContact CE1-CG 3.41Å; F121-Q123 HydrophobicContact CZ-CG 4.36Å; F121-Q123 PolarHBondContact O-N 2.77Å; F121-M142 HydrophobicContact CE1-CE 4.3Å; F121-M142 HydrophobicContact CZ-CE 4.13Å; F121-M142 HydrophobicContact CZ-SD 4.46Å; F121-L144 HydrophobicContact CE1-CD2 4.13Å; F121-L144 HydrophobicContact CZ-CD2 3.92Å; F121-F146 HydrophobicContact CD1-CE2 4.15Å; F121-F146 AromaticContact CD1-CZ 3.8Å; F121-F146 HydrophobicContact CD1-CZ 3.8Å; F121-F146 HydrophobicContact CE1-CE2 4.08Å; F121-F146 AromaticContact CE1-CZ 3.78Å; F121-F146 HydrophobicContact CE1-CZ 3.78Å; F121-F146 HydrophobicContact CG-CZ 4.26Å; F121-F146 HydrophobicContact CZ-CZ 4.25Å |
| 122 | Q | 97.7 | Very high | 96.9 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 94.6 | -175.3 | -170.7 | 169.6 | -75.3 | 0 | 0 | 111.9 | T36 H37 I39 | T36-Q122 CarbonylContact O-C 3.44Å; T36-Q122 VanDerWaalsContact O-CA 3.27Å; T36-Q122 WeakPolarHBondContact O-CA 3.2Å; H37-Q122 WeakPolarHBondContact O-CG 3.21Å; I39-Q122 HydrophobicContact CD1-CB 3.84Å; I39-Q122 HydrophobicContact CG1-CB 3.99Å; I39-Q122 HydrophobicContact CG1-CG 4.39Å |
| 123 | Q | 96 | Very high | 96.6 | Very high | 38 Ų | 38 | 61 Ų | 61 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | trans | -152.2 | 147.2 | 169.4 | -86.7 | -57.3 | -69.1 | 0 | 0 | 112 | T36 F121 T140 M142 | T36-Q123 CarbonylContact C-O 3.53Å; T36-Q123 CarbonylContact O-C 3.6Å; T36-Q123 PolarHBondContact O-N 3.02Å; F121-Q123 HydrophobicContact CD1-CB 4.08Å; F121-Q123 HydrophobicContact CD1-CG 3.96Å; F121-Q123 HydrophobicContact CE1-CB 4.03Å; F121-Q123 HydrophobicContact CE1-CG 3.41Å; F121-Q123 VanDerWaalsContact CE1-CG 3.41Å; F121-Q123 HydrophobicContact CZ-CG 4.36Å; F121-Q123 PolarHBondContact O-N 2.77Å; Q123-T140 HydrophobicContact CB-CG2 3.59Å; Q123-T140 HydrophobicContact CG-CG2 4.04Å; Q123-M142 HydrophobicContact CG-CE 3.52Å; Q123-M142 HydrophobicContact CG-CG 4.1Å; Q123-M142 HydrophobicContact CG-SD 4.31Å; Q123-M142 VanDerWaalsContact NE2-CE 3.27Å | ||
| 124 | A | 95.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 62.5 Ų | 62.5 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | trans | -68.5 | 142.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H37 T140 Q141 | H37-A124 VanDerWaalsContact CD2-CB 3.4Å; H37-A124 WeakPolarHBondContact CD2-CB 3.17Å; H37-A124 WeakPolarHBondContact NE2-CB 3.27Å; A124-T140 CarbonylContact O-C 3.56Å; A124-T140 WeakPolarHBondContact O-CA 3.46Å; A124-T140 WeakPolarHBondContact O-CB 3.38Å; A124-Q141 HydrophobicContact CB-CB 3.98Å; A124-Q141 PolarHBondContact O-N 2.96Å | ||
| 125 | V | 96.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.7 | 168.9 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | I12 L35 D127 A138 V139 L183 | I12-V125 HydrophobicContact CD1-CB 4.2Å; I12-V125 HydrophobicContact CD1-CG1 3.84Å; I12-V125 HydrophobicContact CD1-CG2 3.94Å; I12-V125 HydrophobicContact CG1-CG2 3.98Å; I12-V125 HydrophobicContact CG2-CB 3.99Å; I12-V125 HydrophobicContact CG2-CG2 3.84Å; L35-V125 HydrophobicContact CB-CG2 4.04Å; L35-V125 HydrophobicContact CD1-CG2 3.58Å; L35-V125 HydrophobicContact CG-CG2 4.41Å; V125-D127 WeakPolarHBondContact CG1-O 3.49Å; V125-A138 HydrophobicContact CG1-CB 4.14Å; V125-V139 WeakPolarHBondContact CG1-O 3.17Å; V125-L183 HydrophobicContact CG1-CD1 4.49Å |
| 126 | E | 94.4 | Very high | 96.3 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -28.9 | 178.4 | -69.5 | -169.1 | 163.5 | 0 | 0 | 112.8 | V139 Q141 P182 L183 | E126-V139 PolarHBondContact N-O 3.31Å; E126-Q141 VanDerWaalsContact CD-CA 3.44Å; E126-Q141 HydrophobicContact CG-CB 3.88Å; E126-Q141 WeakPolarHBondContact OE1-CB 3.4Å; E126-Q141 VanDerWaalsContact OE1-CG 3.25Å; E126-Q141 WeakPolarHBondContact OE1-CG 3.49Å; E126-Q141 PolarHBondContact OE1-NE2 3.36Å; E126-P182 HydrophobicContact CB-CB 3.96Å; E126-P182 HydrophobicContact CG-CB 4.06Å; E126-P182 HydrophobicContact CG-CG 4.1Å; E126-P182 CarbonylContact O-C 3.46Å; E126-L183 WeakPolarHBondContact O-CA 3.38Å; E126-L183 PolarHBondContact O-N 3.27Å |
| 127 | D | 95.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 159.2 | -176.9 | -164.5 | 6.3 | 0 | 0 | 0 | 112.2 | V125 V139 R186 | V125-D127 WeakPolarHBondContact CG1-O 3.49Å; D127-V139 HydrophobicContact CB-CB 4.09Å; D127-V139 HydrophobicContact CB-CG2 4.25Å; D127-V139 PolarHBondContact N-O 3.32Å; D127-V139 PolarHBondContact O-N 2.85Å; D127-R186 WeakPolarHBondContact OD1-CD 3.48Å; D127-R186 WeakPolarHBondContact OD1-CG 3.48Å; D127-R186 IonicContact OD1-NE 3.33Å; D127-R186 PolarHBondContact OD1-NE 3.36Å |
| 128 | L | 95.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.6 | 170 | -62.1 | -179.4 | 0 | 0 | 0 | 109.6 | I12 V130 A138 V151 L153 L183 L187 L365 | I12-L128 HydrophobicContact CD1-CD2 3.75Å; L128-V130 HydrophobicContact CB-CG2 4.21Å; L128-A138 HydrophobicContact CD2-CB 4.49Å; L128-V151 HydrophobicContact CD2-CG1 4.06Å; L128-L153 HydrophobicContact CD1-CD1 4.33Å; L128-L153 HydrophobicContact CD2-CD2 4.37Å; L128-L183 HydrophobicContact CG-CD1 4.42Å; L128-L187 HydrophobicContact CD1-CD2 4.03Å; L128-L365 HydrophobicContact CD1-CD1 3.77Å; L128-L365 HydrophobicContact CD1-CD2 4.04Å |
| 129 | I | 95.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.4 | 172.8 | -47.4 | 175.9 | 0 | 0 | 0 | 107 | F2 V136 G137 V139 K145 | F2-I129 HydrophobicContact CE1-CD1 3.9Å; F2-I129 HydrophobicContact CZ-CD1 4.32Å; I129-V136 HydrophobicContact CB-CG2 3.84Å; I129-V136 HydrophobicContact CG2-CG2 3.42Å; I129-V136 VanDerWaalsContact CG2-CG2 3.42Å; I129-V136 WeakPolarHBondContact O-CG2 3.32Å; I129-V136 PolarHBondContact O-N 3.07Å; I129-G137 PolarHBondContact N-O 3.2Å; I129-G137 PolarHBondContact O-N 2.97Å; I129-V139 HydrophobicContact CD1-CG2 4.08Å; I129-V139 HydrophobicContact CG1-CG2 3.69Å; I129-K145 HydrophobicContact CD1-CB 4.13Å; I129-K145 HydrophobicContact CD1-CD 4.25Å; I129-K145 HydrophobicContact CD1-CG 4.45Å |
| 130 | V | 94.5 | Very high | 96.1 | Very high | 43 Ų | 43 | 47 Ų | 47 | 26% | 0.261 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.4 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L128 R134 I362 | L128-V130 HydrophobicContact CB-CG2 4.21Å; V130-R134 CarbonylContact C-O 3.41Å; V130-R134 VanDerWaalsContact CA-O 3.3Å; V130-R134 WeakPolarHBondContact CA-O 3.34Å; V130-I362 HydrophobicContact CG1-CG2 4.18Å; V130-I362 HydrophobicContact CG2-CD1 4.39Å; V130-I362 HydrophobicContact CG2-CG2 4.44Å |
| 131 | E | 95.1 | Very high | 95.9 | Very high | 119 Ų | 119 | 51 Ų | 51 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.5 | 178.1 | -66.8 | 178.1 | -170.7 | 0 | 0 | 108.5 | D133 R134 V136 | E131-D133 PolarHBondContact O-N 2.95Å; E131-R134 PolarHBondContact N-O 2.59Å; E131-R134 WeakPolarHBondContact O-CB 3.25Å; E131-R134 PolarHBondContact O-N 2.63Å; E131-V136 HydrophobicContact CB-CG1 4.2Å; E131-V136 HydrophobicContact CB-CG2 4.41Å; E131-V136 HydrophobicContact CG-CG1 4.47Å; E131-V136 HydrophobicContact CG-CG2 3.86Å |
| 132 | N | 93 | Very high | 95.8 | Very high | 157 Ų | 157 | 54 Ų | 54 | 84% | 0.84 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 51.7 | 179.5 | -58.3 | -39.6 | 0 | 0 | 0 | 113.6 | R134 | N132-R134 PolarHBondContact O-N 2.71Å; N132-R134 VanDerWaalsContact O-N 3.15Å |
| 133 | D | 92.5 | Very high | 95.7 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 26.7 | -178.3 | -55.9 | -43.3 | 0 | 0 | 0 | 114.2 | E131 I362 Q363 | E131-D133 PolarHBondContact O-N 2.95Å; D133-I362 CarbonylContact O-C 3.5Å; D133-I362 WeakPolarHBondContact O-CA 3.35Å; D133-Q363 PolarHBondContact O-N 2.89Å |
| 134 | R | 96.2 | Very high | 95.7 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.8 | 174 | -179.4 | 176.9 | -64.3 | -152.6 | -3.3 | 110.4 | V130 E131 N132 Q363 | V130-R134 CarbonylContact C-O 3.41Å; V130-R134 VanDerWaalsContact CA-O 3.3Å; V130-R134 WeakPolarHBondContact CA-O 3.34Å; E131-R134 PolarHBondContact N-O 2.59Å; E131-R134 WeakPolarHBondContact O-CB 3.25Å; E131-R134 PolarHBondContact O-N 2.63Å; N132-R134 PolarHBondContact O-N 2.71Å; N132-R134 VanDerWaalsContact O-N 3.15Å; R134-Q363 WeakPolarHBondContact CA-O 3.33Å; R134-Q363 HydrophobicContact CB-CB 4.25Å; R134-Q363 HydrophobicContact CG-CB 4.29Å |
| 135 | V | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.3 | 172.3 | 73.6 | 0 | 0 | 0 | 0 | 110 | V151 I362 Q363 G364 L365 | V135-V151 HydrophobicContact CB-CG2 4.33Å; V135-V151 HydrophobicContact CG1-CB 4.06Å; V135-V151 HydrophobicContact CG1-CG2 3.92Å; V135-V151 HydrophobicContact CG2-CB 3.93Å; V135-V151 HydrophobicContact CG2-CG2 3.43Å; V135-V151 VanDerWaalsContact CG2-CG2 3.43Å; V135-I362 HydrophobicContact CB-CG2 4.22Å; V135-Q363 PolarHBondContact N-O 3.04Å; V135-G364 VanDerWaalsContact CG1-O 3.27Å; V135-G364 WeakPolarHBondContact CG1-O 3.45Å; V135-L365 HydrophobicContact CB-CB 4.42Å; V135-L365 HydrophobicContact CG1-CB 4.27Å |
| 136 | V | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 1.8 | -179.9 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | I129 E131 R147 A148 | I129-V136 HydrophobicContact CB-CG2 3.84Å; I129-V136 HydrophobicContact CG2-CG2 3.42Å; I129-V136 VanDerWaalsContact CG2-CG2 3.42Å; I129-V136 WeakPolarHBondContact O-CG2 3.32Å; I129-V136 PolarHBondContact O-N 3.07Å; E131-V136 HydrophobicContact CB-CG1 4.2Å; E131-V136 HydrophobicContact CB-CG2 4.41Å; E131-V136 HydrophobicContact CG-CG1 4.47Å; E131-V136 HydrophobicContact CG-CG2 3.86Å; V136-R147 WeakPolarHBondContact O-CA 3.42Å; V136-A148 CarbonylContact C-O 3.55Å; V136-A148 VanDerWaalsContact CA-O 3.25Å; V136-A148 WeakPolarHBondContact CA-O 3.28Å; V136-A148 PolarHBondContact O-N 3.3Å |
| 137 | G | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.7 | -171.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I129 F146 | I129-G137 PolarHBondContact N-O 3.2Å; I129-G137 PolarHBondContact O-N 2.97Å; G137-F146 CarbonylContact C-O 3.55Å; G137-F146 WeakPolarHBondContact CA-O 3.47Å |
| 138 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I10 I12 L35 V125 L128 K145 F146 | I10-A138 HydrophobicContact CD1-CB 4.43Å; I12-A138 HydrophobicContact CD1-CB 4.15Å; L35-A138 HydrophobicContact CD1-CB 4.32Å; V125-A138 HydrophobicContact CG1-CB 4.14Å; L128-A138 HydrophobicContact CD2-CB 4.49Å; A138-K145 WeakPolarHBondContact O-CA 2.88Å; A138-F146 PolarHBondContact N-O 3.48Å; A138-F146 PolarHBondContact O-N 2.87Å |
| 139 | V | 97.9 | Very high | 96.5 | Very high | 23 Ų | 23 | 60 Ų | 60 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.4 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | V125 E126 D127 I129 K145 | V125-V139 WeakPolarHBondContact CG1-O 3.17Å; E126-V139 PolarHBondContact N-O 3.31Å; D127-V139 HydrophobicContact CB-CB 4.09Å; D127-V139 HydrophobicContact CB-CG2 4.25Å; D127-V139 PolarHBondContact N-O 3.32Å; D127-V139 PolarHBondContact O-N 2.85Å; I129-V139 HydrophobicContact CD1-CG2 4.08Å; I129-V139 HydrophobicContact CG1-CG2 3.69Å; V139-K145 HydrophobicContact CG1-CG 4.24Å; V139-K145 HydrophobicContact CG2-CD 4.49Å; V139-K145 HydrophobicContact CG2-CG 4.14Å |
| 140 | T | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 163.1 | 177.6 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | L35 Q123 A124 M142 G143 L144 F146 | L35-T140 HydrophobicContact CD1-CG2 4.43Å; L35-T140 HydrophobicContact CD2-CG2 4.24Å; Q123-T140 HydrophobicContact CB-CG2 3.59Å; Q123-T140 HydrophobicContact CG-CG2 4.04Å; A124-T140 CarbonylContact O-C 3.56Å; A124-T140 WeakPolarHBondContact O-CA 3.46Å; A124-T140 WeakPolarHBondContact O-CB 3.38Å; T140-M142 PolarHBondContact O-N 3.19Å; T140-M142 VanDerWaalsContact OG1-CG 3.24Å; T140-M142 WeakPolarHBondContact OG1-CG 3.5Å; T140-G143 WeakPolarHBondContact O-CA 3.38Å; T140-G143 PolarHBondContact O-N 3.16Å; T140-L144 PolarHBondContact N-O 3.44Å; T140-L144 WeakPolarHBondContact OG1-CB 3.33Å; T140-L144 PolarHBondContact OG1-N 3.27Å; T140-L144 PolarHBondContact OG1-O 2.7Å; T140-F146 HydrophobicContact CG2-CD2 4.05Å; T140-F146 HydrophobicContact CG2-CE2 3.71Å |
| 141 | Q | 94.1 | Very high | 96.8 | Very high | 118 Ų | 118 | 56.7 Ų | 56.7 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33.5 | 175 | 171.6 | 163.2 | 75.8 | 0 | 0 | 113.8 | A124 E126 G143 | A124-Q141 HydrophobicContact CB-CB 3.98Å; A124-Q141 PolarHBondContact O-N 2.96Å; E126-Q141 VanDerWaalsContact CD-CA 3.44Å; E126-Q141 HydrophobicContact CG-CB 3.88Å; E126-Q141 WeakPolarHBondContact OE1-CB 3.4Å; E126-Q141 VanDerWaalsContact OE1-CG 3.25Å; E126-Q141 WeakPolarHBondContact OE1-CG 3.49Å; E126-Q141 PolarHBondContact OE1-NE2 3.36Å; Q141-G143 PolarHBondContact O-N 3.3Å; Q141-G143 VanDerWaalsContact O-N 3.16Å |
| 142 | M | 94.7 | Very high | 97 | Very high | 108 Ų | 108 | 51 Ų | 51 | 53% | 0.532 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 0.2 | 173.8 | 67.4 | 162 | 68.2 | 0 | 0 | 114.2 | F121 Q123 T140 L144 | F121-M142 HydrophobicContact CE1-CE 4.3Å; F121-M142 HydrophobicContact CZ-CE 4.13Å; F121-M142 HydrophobicContact CZ-SD 4.46Å; Q123-M142 HydrophobicContact CG-CE 3.52Å; Q123-M142 HydrophobicContact CG-CG 4.1Å; Q123-M142 HydrophobicContact CG-SD 4.31Å; Q123-M142 VanDerWaalsContact NE2-CE 3.27Å; T140-M142 PolarHBondContact O-N 3.19Å; T140-M142 VanDerWaalsContact OG1-CG 3.24Å; T140-M142 WeakPolarHBondContact OG1-CG 3.5Å; M142-L144 VanDerWaalsContact C-N 3.3Å; M142-L144 HydrophobicContact CG-CB 3.72Å; M142-L144 PolarHBondContact O-N 3.07Å; M142-L144 HydrophobicContact SD-CB 3.75Å; M142-L144 HydrophobicContact SD-CD2 4Å |
| 143 | G | 95.5 | Very high | 97.2 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 79.3 | 6.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T140 Q141 | T140-G143 WeakPolarHBondContact O-CA 3.38Å; T140-G143 PolarHBondContact O-N 3.16Å; Q141-G143 PolarHBondContact O-N 3.3Å; Q141-G143 VanDerWaalsContact O-N 3.16Å |
| 144 | L | 97.5 | Very high | 97.5 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | trans | -77.6 | 134.3 | 174.1 | -175.3 | 66.8 | 0 | 0 | 0 | 109.8 | Y3 F121 T140 M142 F146 | Y3-L144 HydrophobicContact CD2-CD2 4.22Å; F121-L144 HydrophobicContact CE1-CD2 4.13Å; F121-L144 HydrophobicContact CZ-CD2 3.92Å; T140-L144 PolarHBondContact N-O 3.44Å; T140-L144 WeakPolarHBondContact OG1-CB 3.33Å; T140-L144 PolarHBondContact OG1-N 3.27Å; T140-L144 PolarHBondContact OG1-O 2.7Å; M142-L144 VanDerWaalsContact C-N 3.3Å; M142-L144 HydrophobicContact CG-CB 3.72Å; M142-L144 PolarHBondContact O-N 3.07Å; M142-L144 HydrophobicContact SD-CB 3.75Å; M142-L144 HydrophobicContact SD-CD2 4Å; L144-F146 HydrophobicContact CD2-CE1 4.34Å; L144-F146 HydrophobicContact CD2-CE2 3.72Å; L144-F146 HydrophobicContact CD2-CZ 3.47Å; L144-F146 VanDerWaalsContact CD2-CZ 3.47Å; L144-F146 HydrophobicContact CG-CE2 3.95Å; L144-F146 HydrophobicContact CG-CZ 4.08Å | ||
| 145 | K | 98.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 33 Ų | 33 | 36% | 0.357 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.6 | -177.8 | -57 | -172.2 | 178.8 | -172.5 | 0 | 110.5 | M1 F2 Y3 I129 A138 V139 | M1-K145 PolarHBondContact O-N 2.69Å; F2-K145 CarbonylContact C-O 3.45Å; F2-K145 VanDerWaalsContact CA-O 3.3Å; F2-K145 WeakPolarHBondContact CA-O 3.48Å; F2-K145 HydrophobicContact CD1-CB 3.48Å; F2-K145 VanDerWaalsContact CD1-CB 3.48Å; F2-K145 HydrophobicContact CE1-CB 3.59Å; F2-K145 HydrophobicContact CE1-CD 4.12Å; F2-K145 HydrophobicContact CE1-CG 4.5Å; F2-K145 HydrophobicContact CE2-CD 4.19Å; F2-K145 HydrophobicContact CG-CB 4.06Å; F2-K145 HydrophobicContact CZ-CB 4.24Å; F2-K145 HydrophobicContact CZ-CD 3.91Å; Y3-K145 PolarHBondContact N-O 3.07Å; I129-K145 HydrophobicContact CD1-CB 4.13Å; I129-K145 HydrophobicContact CD1-CD 4.25Å; I129-K145 HydrophobicContact CD1-CG 4.45Å; A138-K145 WeakPolarHBondContact O-CA 2.88Å; V139-K145 HydrophobicContact CG1-CG 4.24Å; V139-K145 HydrophobicContact CG2-CD 4.49Å; V139-K145 HydrophobicContact CG2-CG 4.14Å |
| 146 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.7 | 173.9 | -66.2 | -88.1 | 0 | 0 | 0 | 109.4 | Y3 F7 I10 L33 L35 F121 G137 A138 T140 L144 | Y3-F146 VanDerWaalsContact CB-CD1 3.46Å; Y3-F146 HydrophobicContact CD1-CD1 4.22Å; Y3-F146 AromaticContact CD1-CE1 3.94Å; Y3-F146 HydrophobicContact CD1-CE1 3.94Å; Y3-F146 AromaticContact CD2-CE1 3.62Å; Y3-F146 HydrophobicContact CD2-CE1 3.62Å; Y3-F146 HydrophobicContact CD2-CZ 4.14Å; Y3-F146 HydrophobicContact CE2-CE1 4.38Å; Y3-F146 AromaticContact CG-CD1 3.83Å; Y3-F146 HydrophobicContact CG-CD1 3.83Å; Y3-F146 AromaticContact CG-CE1 3.36Å; Y3-F146 HydrophobicContact CG-CE1 3.36Å; Y3-F146 HydrophobicContact CG-CZ 4.25Å; F7-F146 HydrophobicContact CD2-CD1 4.33Å; F7-F146 AromaticContact CE2-CD1 3.89Å; F7-F146 HydrophobicContact CE2-CD1 3.89Å; F7-F146 HydrophobicContact CE2-CE1 4.33Å; I10-F146 HydrophobicContact CD1-CB 3.66Å; L33-F146 HydrophobicContact CD2-CB 4.01Å; L33-F146 HydrophobicContact CD2-CD1 3.38Å; L33-F146 HydrophobicContact CD2-CD2 4.09Å; L33-F146 HydrophobicContact CD2-CE1 3.74Å; L33-F146 HydrophobicContact CD2-CE2 4.42Å; L33-F146 HydrophobicContact CD2-CG 3.56Å; L33-F146 HydrophobicContact CD2-CZ 4.24Å; L35-F146 HydrophobicContact CD1-CD2 4.4Å; L35-F146 HydrophobicContact CD2-CD2 4.47Å; L35-F146 HydrophobicContact CD2-CE2 4.13Å; F121-F146 HydrophobicContact CD1-CE2 4.15Å; F121-F146 AromaticContact CD1-CZ 3.8Å; F121-F146 HydrophobicContact CD1-CZ 3.8Å; F121-F146 HydrophobicContact CE1-CE2 4.08Å; F121-F146 AromaticContact CE1-CZ 3.78Å; F121-F146 HydrophobicContact CE1-CZ 3.78Å; F121-F146 HydrophobicContact CG-CZ 4.26Å; F121-F146 HydrophobicContact CZ-CZ 4.25Å; G137-F146 CarbonylContact C-O 3.55Å; G137-F146 WeakPolarHBondContact CA-O 3.47Å; A138-F146 PolarHBondContact N-O 3.48Å; A138-F146 PolarHBondContact O-N 2.87Å; T140-F146 HydrophobicContact CG2-CD2 4.05Å; T140-F146 HydrophobicContact CG2-CE2 3.71Å; L144-F146 HydrophobicContact CD2-CE1 4.34Å; L144-F146 HydrophobicContact CD2-CE2 3.72Å; L144-F146 HydrophobicContact CD2-CZ 3.47Å; L144-F146 VanDerWaalsContact CD2-CZ 3.47Å; L144-F146 HydrophobicContact CG-CE2 3.95Å; L144-F146 HydrophobicContact CG-CZ 4.08Å |
| 147 | R | 98.5 | Very high | 96.8 | Very high | 129 Ų | 129 | 32.1 Ų | 32.1 | 49% | 0.487 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139 | 174.1 | -71.5 | -175.7 | 174.2 | 105.2 | -4.4 | 110.2 | F2 P6 F7 V136 | F2-R147 HydrophobicContact CD1-CG 3.74Å; F2-R147 HydrophobicContact CE1-CG 3.66Å; F2-R147 VanDerWaalsContact CE2-NH2 3.34Å; P6-R147 HydrophobicContact CB-CB 4.32Å; F7-R147 PolarHBondContact N-O 3.09Å; V136-R147 WeakPolarHBondContact O-CA 3.42Å |
| 148 | A | 98.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 33 Ų | 33 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F7 I10 V136 | F7-A148 HydrophobicContact CB-CB 4.38Å; F7-A148 WeakPolarHBondContact O-CA 3.49Å; I10-A148 HydrophobicContact CB-CB 4.26Å; I10-A148 HydrophobicContact CD1-CB 3.48Å; I10-A148 VanDerWaalsContact CD1-CB 3.48Å; I10-A148 HydrophobicContact CG1-CB 3.56Å; V136-A148 CarbonylContact C-O 3.55Å; V136-A148 VanDerWaalsContact CA-O 3.25Å; V136-A148 WeakPolarHBondContact CA-O 3.28Å; V136-A148 PolarHBondContact O-N 3.3Å |
| 149 | K | 98.2 | Very high | 96.5 | Very high | 103 Ų | 103 | 33 Ų | 33 | 45% | 0.448 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -29.1 | 175.7 | -60.5 | 179.6 | -177.5 | 172.8 | 0 | 112.3 | D8 S395 | D8-K149 PolarHBondContact O-N 3.24Å; D8-K149 VanDerWaalsContact O-N 3.1Å; D8-K149 IonicContact OD1-NZ 3.38Å; K149-S395 VanDerWaalsContact CD-O 3.29Å; K149-S395 WeakPolarHBondContact CD-O 3.28Å; K149-S395 PolarHBondContact NZ-O 3.47Å |
| 150 | A | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D8 V9 I10 G364 F366 A391 L394 | D8-A150 PolarHBondContact O-N 3.13Å; D8-A150 VanDerWaalsContact O-N 3.15Å; V9-A150 WeakPolarHBondContact CA-O 3.42Å; V9-A150 HydrophobicContact CG2-CB 4.47Å; I10-A150 PolarHBondContact N-O 3.45Å; A150-G364 CarbonylContact C-O 3.48Å; A150-G364 VanDerWaalsContact CA-O 3.3Å; A150-G364 WeakPolarHBondContact CA-O 3.21Å; A150-F366 HydrophobicContact CB-CE2 4.33Å; A150-A391 HydrophobicContact CB-CB 3.83Å; A150-L394 HydrophobicContact CB-CD2 4.29Å |
| 151 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.4 | 177 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | I10 I12 L128 V135 L153 G364 L365 F366 | I10-V151 HydrophobicContact CB-CG2 4.29Å; I10-V151 CarbonylContact O-C 3.15Å; I10-V151 VanDerWaalsContact O-CA 3.28Å; I10-V151 WeakPolarHBondContact O-CA 3.45Å; I12-V151 HydrophobicContact CD1-CG1 3.63Å; I12-V151 HydrophobicContact CG1-CG1 4.16Å; L128-V151 HydrophobicContact CD2-CG1 4.06Å; V135-V151 HydrophobicContact CB-CG2 4.33Å; V135-V151 HydrophobicContact CG1-CB 4.06Å; V135-V151 HydrophobicContact CG1-CG2 3.92Å; V135-V151 HydrophobicContact CG2-CB 3.93Å; V135-V151 HydrophobicContact CG2-CG2 3.43Å; V135-V151 VanDerWaalsContact CG2-CG2 3.43Å; V151-L153 HydrophobicContact CG1-CD2 4.38Å; V151-G364 PolarHBondContact N-O 2.9Å; V151-L365 HydrophobicContact CB-CD1 4.12Å; V151-L365 HydrophobicContact CG1-CD1 4.22Å; V151-L365 WeakPolarHBondContact O-CA 3.47Å; V151-F366 PolarHBondContact O-N 3.02Å |
| 152 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.4 | 174.4 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | V9 I10 I11 I12 A21 T154 F366 A368 A387 A391 | V9-V152 HydrophobicContact CG1-CG2 4.27Å; I10-V152 PolarHBondContact O-N 3.24Å; I11-V152 HydrophobicContact CD1-CB 3.59Å; I11-V152 HydrophobicContact CD1-CG2 3.44Å; I11-V152 VanDerWaalsContact CD1-CG2 3.44Å; I12-V152 PolarHBondContact N-O 3.3Å; A21-V152 HydrophobicContact CB-CG1 4.23Å; V152-T154 HydrophobicContact CG1-CG2 3.81Å; V152-F366 CarbonylContact C-O 3.58Å; V152-F366 VanDerWaalsContact CA-O 3.31Å; V152-F366 WeakPolarHBondContact CA-O 3.47Å; V152-F366 HydrophobicContact CB-CB 4.43Å; V152-F366 HydrophobicContact CG1-CB 4.2Å; V152-F366 HydrophobicContact CG2-CB 4.12Å; V152-A368 HydrophobicContact CG1-CB 4.48Å; V152-A387 HydrophobicContact CG1-CB 3.71Å; V152-A391 HydrophobicContact CG2-CB 3.65Å |
| 153 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.6 | 174.3 | -64.7 | -172.9 | 0 | 0 | 0 | 111.5 | I12 L128 V151 L187 L365 F366 F367 A368 I371 | I12-L153 HydrophobicContact CB-CD2 3.83Å; I12-L153 HydrophobicContact CD1-CD2 3.52Å; I12-L153 HydrophobicContact CG1-CD2 4.13Å; I12-L153 HydrophobicContact CG2-CD2 4.18Å; L128-L153 HydrophobicContact CD1-CD1 4.33Å; L128-L153 HydrophobicContact CD2-CD2 4.37Å; V151-L153 HydrophobicContact CG1-CD2 4.38Å; L153-L187 HydrophobicContact CD1-CD1 3.86Å; L153-L187 HydrophobicContact CD1-CD2 3.67Å; L153-L187 HydrophobicContact CD1-CG 4.41Å; L153-L365 HydrophobicContact CD1-CD1 4.32Å; L153-L365 HydrophobicContact CG-CD1 4.12Å; L153-F366 PolarHBondContact N-O 2.92Å; L153-F367 HydrophobicContact CB-CD1 3.92Å; L153-F367 HydrophobicContact CB-CE1 4.23Å; L153-F367 HydrophobicContact CD1-CD1 3.96Å; L153-F367 HydrophobicContact CD1-CE1 3.38Å; L153-F367 HydrophobicContact CD1-CZ 3.92Å; L153-F367 HydrophobicContact CG-CD1 4.15Å; L153-F367 HydrophobicContact CG-CE1 4Å; L153-A368 PolarHBondContact O-N 2.86Å; L153-I371 HydrophobicContact CB-CD1 3.88Å; L153-I371 HydrophobicContact CD1-CD1 4.16Å |
| 154 | T | 97.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | trans | -134.4 | 35 | -178.2 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | I12 G13 A17 G18 V152 G156 A368 | I12-T154 CarbonylContact O-C 3.59Å; I12-T154 WeakPolarHBondContact O-CA 3.25Å; I12-T154 PolarHBondContact O-N 3.13Å; I12-T154 PolarHBondContact O-OG1 3.39Å; G13-T154 PolarHBondContact O-OG1 3.42Å; A17-T154 HydrophobicContact CB-CG2 3.83Å; G18-T154 WeakPolarHBondContact CA-OG1 2.91Å; G18-T154 PolarHBondContact N-OG1 2.75Å; V152-T154 HydrophobicContact CG1-CG2 3.81Å; T154-G156 PolarHBondContact O-N 3.01Å; T154-A368 HydrophobicContact CG2-CB 4.1Å | ||
| 155 | V | 93 | Very high | 96 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 7% | 0.073 | 12% | 0.116 | C | C | . | . | trans | -62.9 | -1.7 | -169.7 | -62 | 0 | 0 | 0 | 0 | 116.7 | I12 T157 F158 L159 L183 I371 | I12-V155 HydrophobicContact CG2-CG1 4.18Å; V155-T157 PolarHBondContact O-N 2.77Å; V155-F158 WeakPolarHBondContact O-CB 3.39Å; V155-F158 VanDerWaalsContact O-CD2 3.29Å; V155-F158 WeakPolarHBondContact O-CD2 3.35Å; V155-F158 PolarHBondContact O-N 2.93Å; V155-F158 VanDerWaalsContact O-N 3.15Å; V155-L159 HydrophobicContact CB-CD1 4.48Å; V155-L159 HydrophobicContact CB-CD2 4.38Å; V155-L159 HydrophobicContact CB-CG 4.03Å; V155-L159 HydrophobicContact CG1-CD2 4.43Å; V155-L159 HydrophobicContact CG2-CD1 3.51Å; V155-L159 HydrophobicContact CG2-CD2 4.25Å; V155-L159 HydrophobicContact CG2-CG 3.5Å; V155-L159 VanDerWaalsContact CG2-CG 3.5Å; V155-L183 HydrophobicContact CG1-CD2 3.97Å; V155-I371 HydrophobicContact CG2-CB 4.04Å; V155-I371 HydrophobicContact CG2-CD1 3.81Å; V155-I371 HydrophobicContact CG2-CG1 4.14Å | ||
| 156 | G | 92.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 8% | 0.082 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -130 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T154 | T154-G156 PolarHBondContact O-N 3.01Š|
| 157 | T | 91.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 13.9 | 178.8 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | V155 G173 I343 Y345 | V155-T157 PolarHBondContact O-N 2.77Å; T157-G173 PolarHBondContact OG1-O 3.15Å; T157-I343 HydrophobicContact CG2-CG1 4.46Å; T157-I343 HydrophobicContact CG2-CG2 4.31Å; T157-Y345 HydrophobicContact CG2-CD1 3.69Å; T157-Y345 HydrophobicContact CG2-CE1 3.82Å; T157-Y345 HydrophobicContact CG2-CG 4.06Å |
| 158 | F | 94.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | trans | -84.1 | -27.6 | -169.6 | -74 | -110.9 | 0 | 0 | 0 | 114.1 | V155 D160 G161 R174 D177 P178 P179 S180 | V155-F158 WeakPolarHBondContact O-CB 3.39Å; V155-F158 VanDerWaalsContact O-CD2 3.29Å; V155-F158 WeakPolarHBondContact O-CD2 3.35Å; V155-F158 PolarHBondContact O-N 2.93Å; V155-F158 VanDerWaalsContact O-N 3.15Å; F158-D160 PolarHBondContact O-N 3.4Å; F158-D160 VanDerWaalsContact O-N 3.13Å; F158-G161 PolarHBondContact O-N 2.83Å; F158-R174 HydrophobicContact CE2-CG 4.02Å; F158-R174 HydrophobicContact CZ-CG 4.09Å; F158-D177 HydrophobicContact CE1-CB 3.73Å; F158-D177 HydrophobicContact CZ-CB 4.02Å; F158-P178 WeakPolarHBondContact CD1-O 3.38Å; F158-P179 WeakPolarHBondContact O-CA 3.35Å; F158-S180 PolarHBondContact O-N 3.42Å | ||
| 159 | L | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 113.6 | -179.2 | -68.1 | -176.2 | 0 | 0 | 0 | 110.6 | V155 G161 L183 L187 D346 F348 I371 | V155-L159 HydrophobicContact CB-CD1 4.48Å; V155-L159 HydrophobicContact CB-CD2 4.38Å; V155-L159 HydrophobicContact CB-CG 4.03Å; V155-L159 HydrophobicContact CG1-CD2 4.43Å; V155-L159 HydrophobicContact CG2-CD1 3.51Å; V155-L159 HydrophobicContact CG2-CD2 4.25Å; V155-L159 HydrophobicContact CG2-CG 3.5Å; V155-L159 VanDerWaalsContact CG2-CG 3.5Å; L159-G161 PolarHBondContact O-N 3.38Å; L159-G161 VanDerWaalsContact O-N 3.11Å; L159-L183 HydrophobicContact CD2-CB 4.11Å; L159-L183 HydrophobicContact CD2-CD2 4Å; L159-L183 HydrophobicContact CD2-CG 3.94Å; L159-L187 HydrophobicContact CD1-CD1 3.7Å; L159-L187 HydrophobicContact CD2-CD1 4.32Å; L159-D346 HydrophobicContact CB-CB 3.93Å; L159-D346 PolarHBondContact O-N 2.93Å; L159-F348 HydrophobicContact CD1-CE2 3.66Å; L159-F348 HydrophobicContact CD1-CZ 4.39Å; L159-I371 HydrophobicContact CD1-CD1 4.24Å; L159-I371 HydrophobicContact CD1-CG1 4.49Å |
| 160 | D | 93.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 28.6 Ų | 28.6 | 27% | 0.267 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 39.6 | -176.4 | -153 | 16 | 0 | 0 | 0 | 112.8 | F158 K162 S180 R188 R196 D346 | F158-D160 PolarHBondContact O-N 3.4Å; F158-D160 VanDerWaalsContact O-N 3.13Å; D160-K162 PolarHBondContact O-N 3.18Å; D160-S180 PolarHBondContact N-O 3.46Å; D160-R188 IonicContact OD2-CZ 2.89Å; D160-R188 VanDerWaalsContact OD2-CZ 3.32Å; D160-R188 IonicContact OD2-NH1 3.4Å; D160-R188 PolarHBondContact OD2-NH1 2.93Å; D160-R188 IonicContact OD2-NH2 2.86Å; D160-R188 PolarHBondContact OD2-NH2 3.27Å; D160-R196 PolarHBondContact O-NH1 2.9Å; D160-D346 WeakPolarHBondContact CB-OD2 3.49Å |
| 161 | G | 94 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | -64.3 | 131 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F158 L159 S171 G172 E344 | F158-G161 PolarHBondContact O-N 2.83Å; L159-G161 PolarHBondContact O-N 3.38Å; L159-G161 VanDerWaalsContact O-N 3.11Å; G161-S171 CarbonylContact O-C 3.55Å; G161-S171 WeakPolarHBondContact O-CA 3.41Å; G161-G172 CarbonylContact C-O 3.32Å; G161-G172 WeakPolarHBondContact CA-O 3.23Å; G161-G172 PolarHBondContact O-N 3.39Å; G161-E344 CarbonylContact C-O 3.55Å; G161-E344 WeakPolarHBondContact CA-O 3.25Å | ||
| 162 | K | 94.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 32.3 Ų | 32.3 | 30% | 0.3 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 120.1 | -179.3 | -167.4 | 178.5 | -179.8 | 178.9 | 0 | 110.9 | D160 H164 N169 I343 E344 | D160-K162 PolarHBondContact O-N 3.18Å; K162-H164 WeakPolarHBondContact CG-NE2 3.32Å; K162-H164 PolarHBondContact O-CD2 3.39Å; K162-H164 VanDerWaalsContact O-CD2 3.29Å; K162-N169 WeakPolarHBondContact CE-OD1 3.16Å; K162-N169 HydrophobicContact CG-CB 4.37Å; K162-N169 PolarHBondContact NZ-OD1 2.97Å; K162-I343 WeakPolarHBondContact O-CA 3.31Å; K162-E344 PolarHBondContact N-O 3.45Å; K162-E344 PolarHBondContact O-N 2.85Å |
| 163 | I | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135 | -178.1 | -66.1 | 170.9 | 0 | 0 | 0 | 109.4 | I165 N169 Y170 R174 A175 Y341 A342 I343 | I163-I165 HydrophobicContact CG2-CG1 4.34Å; I163-N169 CarbonylContact O-C 3.58Å; I163-N169 WeakPolarHBondContact O-CA 3.49Å; I163-N169 VanDerWaalsContact O-CB 3.31Å; I163-N169 WeakPolarHBondContact O-CB 3.32Å; I163-Y170 HydrophobicContact CB-CD1 4.36Å; I163-Y170 HydrophobicContact CB-CD2 4.46Å; I163-Y170 HydrophobicContact CB-CE1 3.94Å; I163-Y170 HydrophobicContact CB-CE2 4.07Å; I163-Y170 HydrophobicContact CD1-CE2 3.66Å; I163-Y170 HydrophobicContact CG1-CE2 4.39Å; I163-Y170 HydrophobicContact CG2-CD1 4.42Å; I163-Y170 HydrophobicContact CG2-CE1 3.62Å; I163-Y170 HydrophobicContact CG2-CE2 4.38Å; I163-Y170 PolarHBondContact N-O 2.94Å; I163-Y170 PolarHBondContact O-N 2.93Å; I163-R174 VanDerWaalsContact CD1-C 3.49Å; I163-A175 HydrophobicContact CD1-CB 4.4Å; I163-Y341 HydrophobicContact CB-CD2 4.43Å; I163-Y341 HydrophobicContact CD1-CE2 4.4Å; I163-Y341 HydrophobicContact CG1-CD2 4.22Å; I163-Y341 HydrophobicContact CG1-CE2 4.21Å; I163-Y341 HydrophobicContact CG2-CD2 3.61Å; I163-Y341 HydrophobicContact CG2-CE2 4.34Å; I163-Y341 HydrophobicContact CG2-CG 3.9Å; I163-A342 CarbonylContact C-O 3.45Å; I163-A342 WeakPolarHBondContact CA-O 3.32Å; I163-I343 HydrophobicContact CG1-CD1 3.74Å |
| 164 | H | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.7 | -179.1 | -62.7 | -107.7 | 0 | 0 | 0 | 110.8 | K162 P263 I269 Y341 A342 E344 | K162-H164 WeakPolarHBondContact CG-NE2 3.32Å; K162-H164 PolarHBondContact O-CD2 3.39Å; K162-H164 VanDerWaalsContact O-CD2 3.29Å; H164-P263 HydrophobicContact CB-CB 4.43Å; H164-P263 HydrophobicContact CB-CG 4.04Å; H164-I269 HydrophobicContact CB-CD1 4.3Å; H164-Y341 WeakPolarHBondContact O-CA 3.43Å; H164-Y341 WeakPolarHBondContact O-CB 3.23Å; H164-A342 HydrophobicContact CB-CB 4.43Å; H164-A342 PolarHBondContact N-O 3.03Å; H164-A342 PolarHBondContact O-N 3.02Å; H164-E344 IonicContact CD2-OE2 3.61Å; H164-E344 IonicContact CE1-OE2 2.89Å; H164-E344 PolarHBondContact CE1-OE2 2.99Å; H164-E344 IonicContact NE2-OE2 2.77Å; H164-E344 PolarHBondContact NE2-OE2 3.17Å |
| 165 | I | 95.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 100.4 | 173.5 | -55.5 | 176.7 | 0 | 0 | 0 | 107 | I163 D168 Y170 P339 | I163-I165 HydrophobicContact CG2-CG1 4.34Å; I165-D168 PolarHBondContact N-O 3.32Å; I165-D168 PolarHBondContact O-N 2.87Å; I165-Y170 HydrophobicContact CD1-CE1 4.47Å; I165-P339 HydrophobicContact CD1-CB 4.17Å; I165-P339 HydrophobicContact CD1-CG 3.85Å |
| 166 | G | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -139 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D168 P263 S315 | G166-D168 VanDerWaalsContact C-N 3.31Å; G166-P263 WeakPolarHBondContact O-CB 3.46Å; G166-P263 VanDerWaalsContact O-CD 3.27Å; G166-P263 WeakPolarHBondContact O-CD 3.47Å; G166-P263 WeakPolarHBondContact O-CG 3.36Å; G166-S315 WeakPolarHBondContact CA-O 3.47Å; G166-S315 PolarHBondContact N-O 3.31Å |
| 167 | L | 92 | Very high | 92.2 | Very high | 90 Ų | 90 | 40 Ų | 40 | 47% | 0.471 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.1 | 177 | -57.4 | 179.6 | 0 | 0 | 0 | 112.6 | N169 A266 V268 | L167-N169 PolarHBondContact O-ND2 3.47Å; L167-A266 HydrophobicContact CD2-CB 3.86Å; L167-V268 HydrophobicContact CD2-CG2 4.08Å |
| 168 | D | 92.7 | Very high | 92.2 | Very high | 129 Ų | 129 | 43.4 Ų | 43.4 | 69% | 0.69 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.8 | 175.5 | -62 | -46.4 | 0 | 0 | 0 | 110.8 | I165 G166 | I165-D168 PolarHBondContact N-O 3.32Å; I165-D168 PolarHBondContact O-N 2.87Å; G166-D168 VanDerWaalsContact C-N 3.31Å |
| 169 | N | 91.4 | Very high | 92.1 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 152.7 | 178.7 | 59.9 | 90.4 | 0 | 0 | 0 | 111.8 | K162 I163 L167 | K162-N169 WeakPolarHBondContact CE-OD1 3.16Å; K162-N169 HydrophobicContact CG-CB 4.37Å; K162-N169 PolarHBondContact NZ-OD1 2.97Å; I163-N169 CarbonylContact O-C 3.58Å; I163-N169 WeakPolarHBondContact O-CA 3.49Å; I163-N169 VanDerWaalsContact O-CB 3.31Å; I163-N169 WeakPolarHBondContact O-CB 3.32Å; L167-N169 PolarHBondContact O-ND2 3.47Å |
| 170 | Y | 93.2 | Very high | 92 | Very high | 108 Ų | 108 | 44 Ų | 44 | 42% | 0.424 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 156.6 | 177 | 62.5 | -85.3 | 0 | 0 | 0 | 110.8 | I163 I165 | I163-Y170 HydrophobicContact CB-CD1 4.36Å; I163-Y170 HydrophobicContact CB-CD2 4.46Å; I163-Y170 HydrophobicContact CB-CE1 3.94Å; I163-Y170 HydrophobicContact CB-CE2 4.07Å; I163-Y170 HydrophobicContact CD1-CE2 3.66Å; I163-Y170 HydrophobicContact CG1-CE2 4.39Å; I163-Y170 HydrophobicContact CG2-CD1 4.42Å; I163-Y170 HydrophobicContact CG2-CE1 3.62Å; I163-Y170 HydrophobicContact CG2-CE2 4.38Å; I163-Y170 PolarHBondContact N-O 2.94Å; I163-Y170 PolarHBondContact O-N 2.93Å; I165-Y170 HydrophobicContact CD1-CE1 4.47Å |
| 171 | S | 93.6 | Very high | 91.8 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 53% | 0.531 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.5 | -179.2 | -46.8 | 0 | 0 | 0 | 0 | 111.5 | G161 | G161-S171 CarbonylContact O-C 3.55Å; G161-S171 WeakPolarHBondContact O-CA 3.41Å |
| 172 | G | 91.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | trans | 179.6 | 139.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111 | G161 D177 I343 | G161-G172 CarbonylContact C-O 3.32Å; G161-G172 WeakPolarHBondContact CA-O 3.23Å; G161-G172 PolarHBondContact O-N 3.39Å; G172-D177 WeakPolarHBondContact CA-O 3.24Å; G172-I343 WeakPolarHBondContact O-CD1 3.45Å | ||
| 173 | G | 88.5 | Confident | 91.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -75 | -35.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | T157 D177 | T157-G173 PolarHBondContact OG1-O 3.15Å; G173-D177 PolarHBondContact N-O 3.23Å |
| 174 | R | 90.4 | Very high | 91.4 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -148.3 | 164.8 | 171.3 | -56.9 | 173.3 | -170.9 | 160.1 | 9.9 | 107.5 | S46 F158 I163 G176 D177 | S46-R174 VanDerWaalsContact OG-CD 3.25Å; S46-R174 WeakPolarHBondContact OG-CD 3.22Å; S46-R174 PolarHBondContact OG-NE 3.25Å; S46-R174 VanDerWaalsContact OG-NE 3.11Å; F158-R174 HydrophobicContact CE2-CG 4.02Å; F158-R174 HydrophobicContact CZ-CG 4.09Å; I163-R174 VanDerWaalsContact CD1-C 3.49Å; R174-G176 PolarHBondContact O-N 2.78Å; R174-D177 HydrophobicContact CB-CB 4.25Å; R174-D177 PolarHBondContact O-N 3.07Å |
| 175 | A | 86.2 | Confident | 91.2 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 114.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | I163 Y341 | I163-A175 HydrophobicContact CD1-CB 4.4Å; A175-Y341 HydrophobicContact CB-CD1 4.4Å; A175-Y341 HydrophobicContact CB-CE1 3.65Å; A175-Y341 PolarHBondContact N-OH 3.3Å |
| 176 | G | 87.9 | Confident | 91 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 81% | 0.814 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.1 | -13.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R174 | R174-G176 PolarHBondContact O-N 2.78Š|
| 177 | D | 88.8 | Confident | 90.8 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 17% | 0.171 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 137.5 | -178.2 | -69.2 | -45.5 | 0 | 0 | 0 | 111.9 | F158 G172 G173 R174 | F158-D177 HydrophobicContact CE1-CB 3.73Å; F158-D177 HydrophobicContact CZ-CB 4.02Å; G172-D177 WeakPolarHBondContact CA-O 3.24Å; G173-D177 PolarHBondContact N-O 3.23Å; R174-D177 HydrophobicContact CB-CB 4.25Å; R174-D177 PolarHBondContact O-N 3.07Å |
| 178 | P | 91.3 | Very high | 90.8 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 51% | 0.506 | 30% | 0.295 | S | S | . | . | trans | -66.8 | 152.7 | 177.8 | 29.3 | -35.1 | 0 | 0 | 0 | 111.9 | F158 | F158-P178 WeakPolarHBondContact CD1-O 3.38Š| ||
| 179 | P | 91 | Very high | 90.6 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | trans | -77.6 | 162.9 | 171.7 | 36.4 | -37.1 | 0 | 0 | 0 | 111.5 | F158 I181 | F158-P179 WeakPolarHBondContact O-CA 3.35Å; P179-I181 HydrophobicContact CB-CG1 4.15Å; P179-I181 HydrophobicContact CG-CD1 3.82Å; P179-I181 HydrophobicContact CG-CG1 3.88Å | ||
| 180 | S | 91.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 91.7 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | F158 D160 L183 | F158-S180 PolarHBondContact O-N 3.42Å; D160-S180 PolarHBondContact N-O 3.46Å; S180-L183 WeakPolarHBondContact OG-CB 3.41Å |
| 181 | I | 89.1 | Confident | 89.9 | Confident | 67 Ų | 67 | 50 Ų | 50 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -86.6 | -48.5 | -174.6 | -61.2 | 169.9 | 0 | 0 | 0 | 112.4 | P179 L183 S184 R185 | P179-I181 HydrophobicContact CB-CG1 4.15Å; P179-I181 HydrophobicContact CG-CD1 3.82Å; P179-I181 HydrophobicContact CG-CG1 3.88Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.49Å; I181-S184 PolarHBondContact O-N 3.43Å; I181-R185 PolarHBondContact O-N 2.98Å; I181-R185 VanDerWaalsContact O-N 3.09Å |
| 182 | P | 91.5 | Very high | 89.6 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | -178 | -25.3 | 36.3 | 0 | 0 | 0 | 112.7 | E126 S184 R185 R186 | E126-P182 HydrophobicContact CB-CB 3.96Å; E126-P182 HydrophobicContact CG-CB 4.06Å; E126-P182 HydrophobicContact CG-CG 4.1Å; E126-P182 CarbonylContact O-C 3.46Å; P182-S184 PolarHBondContact O-N 2.7Å; P182-R185 WeakPolarHBondContact O-CB 3.25Å; P182-R185 PolarHBondContact O-N 2.81Å; P182-R186 PolarHBondContact O-N 3.44Å |
| 183 | L | 92.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -41 | 177.3 | -177.5 | 59.7 | 0 | 0 | 0 | 112 | I12 V125 E126 L128 V155 L159 S180 I181 R185 R186 L187 | I12-L183 HydrophobicContact CG2-CD2 4.46Å; V125-L183 HydrophobicContact CG1-CD1 4.49Å; E126-L183 WeakPolarHBondContact O-CA 3.38Å; E126-L183 PolarHBondContact O-N 3.27Å; L128-L183 HydrophobicContact CG-CD1 4.42Å; V155-L183 HydrophobicContact CG1-CD2 3.97Å; L159-L183 HydrophobicContact CD2-CB 4.11Å; L159-L183 HydrophobicContact CD2-CD2 4Å; L159-L183 HydrophobicContact CD2-CG 3.94Å; S180-L183 WeakPolarHBondContact OG-CB 3.41Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.49Å; L183-R185 PolarHBondContact O-N 3.32Å; L183-R186 PolarHBondContact O-N 2.89Å; L183-L187 HydrophobicContact CD1-CD1 4.25Å; L183-L187 HydrophobicContact CD1-CG 4.15Å; L183-L187 HydrophobicContact CG-CD1 4.01Å; L183-L187 HydrophobicContact CG-CG 4.36Å; L183-L187 VanDerWaalsContact O-CG 3.25Å; L183-L187 WeakPolarHBondContact O-CG 3.44Å; L183-L187 PolarHBondContact O-N 3.2Å |
| 184 | S | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175 | 159.8 | 0 | 0 | 0 | 0 | 111 | I181 P182 R186 L187 R188 D346 | I181-S184 PolarHBondContact O-N 3.43Å; P182-S184 PolarHBondContact O-N 2.7Å; S184-R186 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 3.29Å; S184-L187 PolarHBondContact O-N 3.21Å; S184-R188 WeakPolarHBondContact O-CG 3.21Å; S184-R188 PolarHBondContact O-N 2.89Å; S184-R188 VanDerWaalsContact OG-CZ 3.27Å; S184-R188 PolarHBondContact OG-NH1 3.29Å; S184-D346 PolarHBondContact OG-OD2 2.96Å |
| 185 | R | 91.9 | Very high | 89.8 | Confident | 161 Ų | 161 | 54.2 Ų | 54.2 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.8 | -47.8 | 177 | -175.1 | -176.4 | -58.8 | 162.9 | 4.2 | 111.1 | I181 P182 L183 L187 R188 E189 | I181-R185 PolarHBondContact O-N 2.98Å; I181-R185 VanDerWaalsContact O-N 3.09Å; P182-R185 WeakPolarHBondContact O-CB 3.25Å; P182-R185 PolarHBondContact O-N 2.81Å; L183-R185 PolarHBondContact O-N 3.32Å; R185-L187 PolarHBondContact O-N 2.86Å; R185-R188 PolarHBondContact O-N 3.13Å; R185-E189 PolarHBondContact O-N 3.24Å |
| 186 | R | 89.8 | Confident | 90.2 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 178.8 | 179.3 | 68.4 | -173.2 | 118.4 | 7.2 | 112.2 | D127 P182 L183 S184 R188 E189 | D127-R186 WeakPolarHBondContact OD1-CD 3.48Å; D127-R186 WeakPolarHBondContact OD1-CG 3.48Å; D127-R186 IonicContact OD1-NE 3.33Å; D127-R186 PolarHBondContact OD1-NE 3.36Å; P182-R186 PolarHBondContact O-N 3.44Å; L183-R186 PolarHBondContact O-N 2.89Å; S184-R186 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 3.29Å; R186-R188 VanDerWaalsContact C-N 3.28Å; R186-R188 PolarHBondContact O-N 3.15Å; R186-E189 IonicContact CZ-OE2 3.93Å; R186-E189 IonicContact NH1-OE2 3.92Å; R186-E189 PolarHBondContact NH1-OE2 3.17Å; R186-E189 WeakPolarHBondContact O-CB 3.32Å; R186-E189 PolarHBondContact O-N 3.22Å; R186-E189 VanDerWaalsContact O-N 3.11Å |
| 187 | L | 90.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.8 | -30.6 | -178.4 | -66.6 | 171.9 | 0 | 0 | 0 | 112.3 | L128 L153 L159 L183 S184 R185 E189 L190 F348 F367 | L128-L187 HydrophobicContact CD1-CD2 4.03Å; L153-L187 HydrophobicContact CD1-CD1 3.86Å; L153-L187 HydrophobicContact CD1-CD2 3.67Å; L153-L187 HydrophobicContact CD1-CG 4.41Å; L159-L187 HydrophobicContact CD1-CD1 3.7Å; L159-L187 HydrophobicContact CD2-CD1 4.32Å; L183-L187 HydrophobicContact CD1-CD1 4.25Å; L183-L187 HydrophobicContact CD1-CG 4.15Å; L183-L187 HydrophobicContact CG-CD1 4.01Å; L183-L187 HydrophobicContact CG-CG 4.36Å; L183-L187 VanDerWaalsContact O-CG 3.25Å; L183-L187 WeakPolarHBondContact O-CG 3.44Å; L183-L187 PolarHBondContact O-N 3.2Å; S184-L187 PolarHBondContact O-N 3.21Å; R185-L187 PolarHBondContact O-N 2.86Å; L187-E189 VanDerWaalsContact C-N 3.25Å; L187-E189 PolarHBondContact O-N 3.38Å; L187-L190 HydrophobicContact CD2-CD1 3.78Å; L187-L190 WeakPolarHBondContact O-CB 3.39Å; L187-L190 PolarHBondContact O-N 2.97Å; L187-F348 HydrophobicContact CB-CE1 3.77Å; L187-F348 HydrophobicContact CB-CE2 4.2Å; L187-F348 HydrophobicContact CB-CZ 3.3Å; L187-F348 HydrophobicContact CD1-CE2 3.84Å; L187-F348 HydrophobicContact CD1-CZ 3.79Å; L187-F348 HydrophobicContact CG-CZ 4.15Å; L187-F367 HydrophobicContact CD2-CZ 4.43Å |
| 188 | R | 90.9 | Very high | 90.5 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 38% | 0.377 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.9 | -19.7 | 173.3 | -70.7 | 174.1 | 173.4 | 147.5 | -18.2 | 113.4 | D160 S184 R185 R186 L190 V194 D346 | D160-R188 IonicContact OD2-CZ 2.89Å; D160-R188 VanDerWaalsContact OD2-CZ 3.32Å; D160-R188 IonicContact OD2-NH1 3.4Å; D160-R188 PolarHBondContact OD2-NH1 2.93Å; D160-R188 IonicContact OD2-NH2 2.86Å; D160-R188 PolarHBondContact OD2-NH2 3.27Å; S184-R188 WeakPolarHBondContact O-CG 3.21Å; S184-R188 PolarHBondContact O-N 2.89Å; S184-R188 VanDerWaalsContact OG-CZ 3.27Å; S184-R188 PolarHBondContact OG-NH1 3.29Å; R185-R188 PolarHBondContact O-N 3.13Å; R186-R188 VanDerWaalsContact C-N 3.28Å; R186-R188 PolarHBondContact O-N 3.15Å; R188-L190 VanDerWaalsContact C-N 3.33Å; R188-V194 HydrophobicContact CG-CG1 4.24Å; R188-V194 HydrophobicContact CG-CG2 4.29Å; R188-D346 IonicContact CZ-OD1 3.06Å; R188-D346 IonicContact CZ-OD2 3.2Å; R188-D346 IonicContact NE-OD2 2.9Å; R188-D346 PolarHBondContact NE-OD2 2.92Å; R188-D346 IonicContact NH1-OD2 2.73Å; R188-D346 PolarHBondContact NH1-OD2 2.78Å; R188-D346 IonicContact NH2-OD1 3.14Å; R188-D346 PolarHBondContact NH2-OD1 3.19Å; R188-D346 IonicContact NH2-OD2 3.59Å; R188-D346 PolarHBondContact NH2-OD2 2.71Å |
| 189 | E | 89.2 | Confident | 90.5 | Very high | 126 Ų | 126 | 47 Ų | 47 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15.6 | 173.5 | -63.7 | 167.1 | -179.7 | 0 | 0 | 112.7 | R185 R186 L187 | R185-E189 PolarHBondContact O-N 3.24Å; R186-E189 IonicContact CZ-OE2 3.93Å; R186-E189 IonicContact NH1-OE2 3.92Å; R186-E189 PolarHBondContact NH1-OE2 3.17Å; R186-E189 WeakPolarHBondContact O-CB 3.32Å; R186-E189 PolarHBondContact O-N 3.22Å; R186-E189 VanDerWaalsContact O-N 3.11Å; L187-E189 VanDerWaalsContact C-N 3.25Å; L187-E189 PolarHBondContact O-N 3.38Å |
| 190 | L | 84.9 | Confident | 90.5 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -77.8 | 157.6 | 175.4 | -55.1 | 178.8 | 0 | 0 | 0 | 109.6 | L187 R188 L192 I362 | L187-L190 HydrophobicContact CD2-CD1 3.78Å; L187-L190 WeakPolarHBondContact O-CB 3.39Å; L187-L190 PolarHBondContact O-N 2.97Å; R188-L190 VanDerWaalsContact C-N 3.33Å; L190-L192 HydrophobicContact CB-CD1 4.08Å; L190-L192 HydrophobicContact CB-CG 4.23Å; L190-L192 HydrophobicContact CD1-CD1 4.15Å; L190-L192 PolarHBondContact O-N 3.49Å; L190-I362 HydrophobicContact CD1-CD1 3.58Å; L190-I362 HydrophobicContact CD2-CD1 3.82Å; L190-I362 HydrophobicContact CG-CD1 4.16Å |
| 191 | P | 85.2 | Confident | 90.6 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -73.9 | 43.6 | 179.8 | 33.2 | -38.7 | 0 | 0 | 0 | 112.9 | F361 | P191-F361 HydrophobicContact CB-CD1 4.21Å; P191-F361 HydrophobicContact CB-CE1 4.44Å; P191-F361 HydrophobicContact CB-CG 4.37Å; P191-F361 HydrophobicContact CG-CB 3.74Å; P191-F361 HydrophobicContact CG-CD1 3.84Å; P191-F361 HydrophobicContact CG-CD2 4.35Å; P191-F361 HydrophobicContact CG-CG 3.73Å; P191-F361 WeakPolarHBondContact O-CD2 3.35Å; P191-F361 WeakPolarHBondContact O-CE2 3.45Å; P191-F361 WeakPolarHBondContact O-CZ 3.22Å |
| 192 | L | 87 | Confident | 91 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | trans | -107.2 | 135 | -179.4 | -64.4 | 167.8 | 0 | 0 | 0 | 110 | L190 V194 F348 D352 F361 F367 | L190-L192 HydrophobicContact CB-CD1 4.08Å; L190-L192 HydrophobicContact CB-CG 4.23Å; L190-L192 HydrophobicContact CD1-CD1 4.15Å; L190-L192 PolarHBondContact O-N 3.49Å; L192-V194 PolarHBondContact O-N 3.13Å; L192-F348 HydrophobicContact CB-CD1 3.71Å; L192-F348 HydrophobicContact CB-CE1 4.27Å; L192-F348 HydrophobicContact CD1-CD1 4.14Å; L192-F348 HydrophobicContact CD1-CE1 4.44Å; L192-D352 HydrophobicContact CD2-CB 3.85Å; L192-F361 HydrophobicContact CD2-CD2 3.7Å; L192-F361 HydrophobicContact CD2-CE2 4.2Å; L192-F367 HydrophobicContact CD1-CE2 3.86Å; L192-F367 HydrophobicContact CD1-CZ 3.56Å | ||
| 193 | R | 91.7 | Very high | 91.3 | Very high | 87 Ų | 87 | 41.1 Ų | 41.1 | 33% | 0.328 | 20% | 0.2 | S | C | . | . | trans | -71.7 | 124 | 173.9 | -67.1 | 175.5 | -74.6 | -170.9 | -6.4 | 109.2 | F348 D349 D352 | R193-F348 CarbonylContact O-C 3.52Å; R193-F348 VanDerWaalsContact O-CA 3.3Å; R193-F348 WeakPolarHBondContact O-CA 3.39Å; R193-D349 HydrophobicContact CB-CB 3.65Å; R193-D349 IonicContact CZ-OD2 3.84Å; R193-D349 VanDerWaalsContact CZ-OD2 3.31Å; R193-D349 IonicContact NE-OD2 3.83Å; R193-D349 PolarHBondContact NE-OD2 2.87Å; R193-D349 IonicContact NH1-OD2 2.83Å; R193-D349 IonicContact NH2-OD2 3Å; R193-D349 PolarHBondContact O-N 2.81Å; R193-D352 WeakPolarHBondContact CB-OD2 3.42Å; R193-D352 IonicContact CZ-OD1 3.62Å; R193-D352 VanDerWaalsContact CZ-OD1 3.25Å; R193-D352 PolarHBondContact N-OD2 3.07Å; R193-D352 IonicContact NE-OD1 2.77Å; R193-D352 PolarHBondContact NE-OD1 3.42Å; R193-D352 IonicContact NE-OD2 3.63Å; R193-D352 PolarHBondContact NE-OD2 3.35Å; R193-D352 IonicContact NH2-OD1 2.76Å; R193-D352 PolarHBondContact NH2-OD1 3.37Å | ||
| 194 | V | 92.7 | Very high | 91.6 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 40% | 0.4 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.8 | 178.8 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | R188 L192 D346 F347 F348 | R188-V194 HydrophobicContact CG-CG1 4.24Å; R188-V194 HydrophobicContact CG-CG2 4.29Å; L192-V194 PolarHBondContact O-N 3.13Å; V194-D346 HydrophobicContact CG2-CB 4.26Å; V194-F347 WeakPolarHBondContact CA-O 3.45Å; V194-F348 HydrophobicContact CB-CD1 4.32Å; V194-F348 HydrophobicContact CB-CE1 4.2Å; V194-F348 HydrophobicContact CG2-CE1 4.26Å; V194-F348 HydrophobicContact CG2-CZ 4.48Å |
| 195 | G | 91.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | -178.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D346 F347 | G195-D346 WeakPolarHBondContact O-CA 3.5Å; G195-F347 VanDerWaalsContact CA-CE1 3.49Å; G195-F347 PolarHBondContact N-O 2.75Å; G195-F347 WeakPolarHBondContact O-CD1 3.37Å; G195-F347 PolarHBondContact O-N 3.33Å |
| 196 | R | 92.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 16% | 0.158 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.5 | 176.6 | -66.1 | -74.8 | -67.4 | 179.7 | -6.5 | 110.5 | D160 G271 V272 E344 Y345 D346 | D160-R196 PolarHBondContact O-NH1 2.9Å; R196-G271 WeakPolarHBondContact O-CA 3.41Å; R196-V272 PolarHBondContact O-N 3.16Å; R196-E344 VanDerWaalsContact NH2-C 3.31Å; R196-E344 PolarHBondContact NH2-O 3.13Å; R196-Y345 WeakPolarHBondContact CA-O 3.4Å; R196-D346 WeakPolarHBondContact CD-OD1 3.44Å; R196-D346 IonicContact NH1-OD1 3.98Å; R196-D346 PolarHBondContact NH1-OD1 2.89Å; R196-D346 VanDerWaalsContact NH1-OD1 3.16Å |
| 197 | L | 92.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 157.4 | 169.6 | -69.6 | 173.6 | 0 | 0 | 0 | 109.9 | V272 E344 Y345 F347 P425 | L197-V272 HydrophobicContact CD2-CB 4.34Å; L197-V272 WeakPolarHBondContact CD2-O 3.23Å; L197-E344 VanDerWaalsContact O-CA 3.29Å; L197-E344 WeakPolarHBondContact O-CA 3.48Å; L197-Y345 HydrophobicContact CB-CE1 4.25Å; L197-Y345 HydrophobicContact CB-CE2 4.24Å; L197-Y345 PolarHBondContact N-O 3.38Å; L197-Y345 VanDerWaalsContact N-O 3.14Å; L197-Y345 PolarHBondContact O-N 2.83Å; L197-Y345 VanDerWaalsContact O-N 3.07Å; L197-F347 HydrophobicContact CB-CD1 4.27Å; L197-F347 HydrophobicContact CD1-CB 4.21Å; L197-F347 HydrophobicContact CD1-CD1 3.75Å; L197-F347 HydrophobicContact CD1-CD2 4.05Å; L197-F347 HydrophobicContact CD1-CE1 4.06Å; L197-F347 HydrophobicContact CD1-CE2 4.35Å; L197-F347 HydrophobicContact CD1-CG 3.71Å; L197-F347 HydrophobicContact CD1-CZ 4.34Å; L197-F347 HydrophobicContact CD2-CD1 4.37Å; L197-F347 HydrophobicContact CD2-CE1 3.97Å; L197-F347 HydrophobicContact CD2-CZ 4.33Å; L197-F347 HydrophobicContact CG-CD1 3.44Å; L197-F347 VanDerWaalsContact CG-CD1 3.44Å; L197-F347 HydrophobicContact CG-CE1 3.54Å; L197-F347 HydrophobicContact CG-CG 3.97Å; L197-F347 HydrophobicContact CG-CZ 4.17Å; L197-P425 HydrophobicContact CB-CG 4.24Å; L197-P425 HydrophobicContact CD1-CB 4.49Å; L197-P425 HydrophobicContact CD1-CG 4.14Å; L197-P425 HydrophobicContact CD2-CG 4.11Å; L197-P425 HydrophobicContact CG-CG 4.36Å |
| 198 | K | 91.4 | Very high | 93 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148 | 169.8 | 74.7 | 171.6 | 169.4 | -153.2 | 0 | 112.2 | M264 I269 G271 V272 G273 I343 E344 | K198-M264 HydrophobicContact CD-CG 4.36Å; K198-M264 HydrophobicContact CD-SD 4.1Å; K198-M264 WeakPolarHBondContact CE-SD 3.33Å; K198-M264 PolarHBondContact NZ-SD 2.89Å; K198-I269 HydrophobicContact CB-CG2 4.11Å; K198-I269 HydrophobicContact CD-CD1 4.31Å; K198-I269 HydrophobicContact CD-CG2 3.62Å; K198-I269 HydrophobicContact CG-CG2 4.33Å; K198-G271 WeakPolarHBondContact CG-O 3.4Å; K198-V272 PolarHBondContact N-O 3.5Å; K198-V272 VanDerWaalsContact N-O 3.08Å; K198-G273 VanDerWaalsContact CE-CA 3.48Å; K198-G273 VanDerWaalsContact CG-CA 3.43Å; K198-I343 CarbonylContact C-O 3.57Å; K198-I343 VanDerWaalsContact CA-O 3.28Å; K198-I343 WeakPolarHBondContact CA-O 3.42Å; K198-E344 HydrophobicContact CB-CG 4.02Å |
| 199 | T | 90.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.3 | 165 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | A342 I343 Y345 P425 | T199-A342 CarbonylContact O-C 3.58Å; T199-A342 WeakPolarHBondContact O-CA 3.38Å; T199-I343 PolarHBondContact N-O 3.26Å; T199-I343 WeakPolarHBondContact O-CG2 3.45Å; T199-I343 PolarHBondContact O-N 2.91Å; T199-I343 VanDerWaalsContact OG1-CG2 3.29Å; T199-I343 WeakPolarHBondContact OG1-CG2 3.49Å; T199-Y345 HydrophobicContact CG2-CE1 4.2Å; T199-P425 HydrophobicContact CG2-CG 4.29Å |
| 200 | G | 91 | Very high | 93.8 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 27% | 0.268 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 153.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S313 Y341 | G200-S313 PolarHBondContact O-OG 3.13Å; G200-Y341 WeakPolarHBondContact CA-O 3.43Å |
| 201 | T | 94.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145 | 175.3 | -162.8 | 0 | 0 | 0 | 0 | 110.2 | R204 G340 Y341 | T201-R204 VanDerWaalsContact CG2-NH1 3.31Å; T201-R204 PolarHBondContact OG1-NH2 2.83Å; T201-G340 VanDerWaalsContact O-CA 3.24Å; T201-G340 WeakPolarHBondContact O-CA 3.3Å; T201-Y341 HydrophobicContact CG2-CD1 3.39Å; T201-Y341 HydrophobicContact CG2-CD2 4.23Å; T201-Y341 HydrophobicContact CG2-CE1 3.26Å; T201-Y341 HydrophobicContact CG2-CE2 4.13Å; T201-Y341 HydrophobicContact CG2-CG 3.88Å; T201-Y341 PolarHBondContact N-O 2.88Å; T201-Y341 PolarHBondContact O-N 3.01Å; T201-Y341 VanDerWaalsContact O-N 3.17Å |
| 202 | P | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 165.7 | -178 | 32.3 | -36.6 | 0 | 0 | 0 | 112.4 | R204 Y308 P309 I312 S313 G340 | P202-R204 VanDerWaalsContact O-CD 3.3Å; P202-R204 WeakPolarHBondContact O-CD 3.35Å; P202-R204 PolarHBondContact O-NH1 2.92Å; P202-Y308 WeakPolarHBondContact CD-OH 3.26Å; P202-Y308 HydrophobicContact CG-CD1 4.28Å; P202-Y308 HydrophobicContact CG-CD2 3.75Å; P202-Y308 HydrophobicContact CG-CE1 3.82Å; P202-Y308 HydrophobicContact CG-CE2 3.19Å; P202-Y308 HydrophobicContact CG-CG 4.26Å; P202-P309 HydrophobicContact CB-CG 3.98Å; P202-P309 HydrophobicContact CG-CG 4.48Å; P202-I312 HydrophobicContact CB-CG1 4.03Å; P202-S313 WeakPolarHBondContact CD-OG 3.16Å; P202-G340 VanDerWaalsContact C-CA 3.47Å |
| 203 | P | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 147.6 | 164.6 | 27.7 | -34.3 | 0 | 0 | 0 | 111.2 | I205 P309 I312 V325 I336 R338 | P203-I205 HydrophobicContact CB-CD1 4.11Å; P203-I205 HydrophobicContact CG-CD1 4.23Å; P203-P309 WeakPolarHBondContact O-CD 3.25Å; P203-P309 WeakPolarHBondContact O-CG 3.35Å; P203-I312 HydrophobicContact CG-CD1 3.96Å; P203-V325 HydrophobicContact CG-CG2 3.88Å; P203-I336 HydrophobicContact CB-CD1 3.9Å; P203-I336 HydrophobicContact CB-CG1 4.12Å; P203-I336 HydrophobicContact CB-CG2 3.76Å; P203-I336 HydrophobicContact CG-CD1 4.39Å; P203-R338 CarbonylContact C-O 3.59Å; P203-R338 WeakPolarHBondContact CA-O 3.42Å |
| 204 | R | 98.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.9 | 176.7 | -74.9 | 49.9 | 168 | -145.7 | -2.3 | 107.8 | S46 T201 P202 E300 I336 V337 R338 | S46-R204 PolarHBondContact O-NH2 2.94Å; T201-R204 VanDerWaalsContact CG2-NH1 3.31Å; T201-R204 PolarHBondContact OG1-NH2 2.83Å; P202-R204 VanDerWaalsContact O-CD 3.3Å; P202-R204 WeakPolarHBondContact O-CD 3.35Å; P202-R204 PolarHBondContact O-NH1 2.92Å; R204-E300 IonicContact NE-OE1 2.61Å; R204-I336 CarbonylContact O-C 3.37Å; R204-I336 WeakPolarHBondContact O-CA 3.3Å; R204-V337 PolarHBondContact O-N 2.58Å; R204-R338 HydrophobicContact CB-CB 4.03Å; R204-R338 HydrophobicContact CB-CG 4.29Å; R204-R338 HydrophobicContact CG-CB 4.36Å; R204-R338 PolarHBondContact N-O 2.99Å; R204-R338 PolarHBondContact O-N 2.89Å |
| 205 | I | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.1 | -168.3 | -48.6 | -54.1 | 0 | 0 | 0 | 110.3 | P203 A207 I210 I307 P309 V325 A334 I336 | P203-I205 HydrophobicContact CB-CD1 4.11Å; P203-I205 HydrophobicContact CG-CD1 4.23Å; I205-A207 PolarHBondContact O-N 2.76Å; I205-I210 HydrophobicContact CB-CD1 4.29Å; I205-I210 HydrophobicContact CG2-CD1 3.8Å; I205-I210 HydrophobicContact CG2-CG1 3.95Å; I205-I307 HydrophobicContact CB-CB 4.42Å; I205-I307 PolarHBondContact N-O 3.34Å; I205-I307 PolarHBondContact O-N 3.12Å; I205-P309 HydrophobicContact CG1-CG 3.96Å; I205-V325 HydrophobicContact CD1-CG1 3.9Å; I205-V325 HydrophobicContact CD1-CG2 3.86Å; I205-A334 HydrophobicContact CG2-CB 3.77Å; I205-I336 HydrophobicContact CD1-CB 4.48Å; I205-I336 HydrophobicContact CD1-CG1 3.72Å |
| 206 | D | 98.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 36 Ų | 36 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.8 | 174.9 | -175.3 | -17.1 | 0 | 0 | 0 | 110.5 | R208 T209 K335 V337 | D206-R208 PolarHBondContact O-N 3.05Å; D206-R208 VanDerWaalsContact O-N 3.09Å; D206-R208 WeakPolarHBondContact OD1-CB 3.37Å; D206-R208 IonicContact OD1-CZ 2.72Å; D206-R208 PolarHBondContact OD1-N 3.35Å; D206-R208 IonicContact OD1-NE 3.61Å; D206-R208 PolarHBondContact OD1-NE 3.26Å; D206-R208 IonicContact OD1-NH2 3.39Å; D206-R208 IonicContact OD2-CZ 3.04Å; D206-R208 IonicContact OD2-NE 3.9Å; D206-R208 PolarHBondContact OD2-NE 2.89Å; D206-R208 IonicContact OD2-NH2 3.89Å; D206-R208 PolarHBondContact OD2-NH2 2.93Å; D206-T209 HydrophobicContact CB-CG2 4.28Å; D206-T209 PolarHBondContact O-N 2.97Å; D206-T209 PolarHBondContact O-OG1 2.76Å; D206-K335 PolarHBondContact N-O 3.18Å; D206-V337 HydrophobicContact CB-CG2 3.79Å |
| 207 | A | 98.5 | Very high | 96.7 | Very high | 17 Ų | 17 | 39 Ų | 39 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -50.5 | -34.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I205 T209 I210 F212 N305 I307 | I205-A207 PolarHBondContact O-N 2.76Å; A207-T209 PolarHBondContact O-N 3.01Å; A207-T209 VanDerWaalsContact O-N 3.16Å; A207-I210 PolarHBondContact O-N 2.94Å; A207-F212 HydrophobicContact CB-CE2 4.2Å; A207-F212 HydrophobicContact CB-CZ 4.29Å; A207-F212 VanDerWaalsContact O-CE2 3.23Å; A207-F212 WeakPolarHBondContact O-CE2 3.38Å; A207-N305 HydrophobicContact CB-CB 4.34Å; A207-N305 VanDerWaalsContact CB-O 3.29Å; A207-N305 WeakPolarHBondContact CB-O 3.44Å; A207-N305 PolarHBondContact N-O 3.29Å; A207-I307 HydrophobicContact CB-CD1 4.13Å; A207-I307 HydrophobicContact CB-CG1 3.78Å |
| 208 | R | 98.2 | Very high | 97 | Very high | 184 Ų | 184 | 41 Ų | 41 | 69% | 0.694 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -70.3 | -14.1 | -177 | -57 | 168.5 | -63.9 | -179.5 | 0.9 | 113.2 | D206 | D206-R208 PolarHBondContact O-N 3.05Å; D206-R208 VanDerWaalsContact O-N 3.09Å; D206-R208 WeakPolarHBondContact OD1-CB 3.37Å; D206-R208 IonicContact OD1-CZ 2.72Å; D206-R208 PolarHBondContact OD1-N 3.35Å; D206-R208 IonicContact OD1-NE 3.61Å; D206-R208 PolarHBondContact OD1-NE 3.26Å; D206-R208 IonicContact OD1-NH2 3.39Å; D206-R208 IonicContact OD2-CZ 3.04Å; D206-R208 IonicContact OD2-NE 3.9Å; D206-R208 PolarHBondContact OD2-NE 2.89Å; D206-R208 IonicContact OD2-NH2 3.89Å; D206-R208 PolarHBondContact OD2-NH2 2.93Å |
| 209 | T | 98.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -105.4 | 6.4 | -177.6 | 64.4 | 0 | 0 | 0 | 0 | 113 | D206 A207 A334 K335 | D206-T209 HydrophobicContact CB-CG2 4.28Å; D206-T209 PolarHBondContact O-N 2.97Å; D206-T209 PolarHBondContact O-OG1 2.76Å; A207-T209 PolarHBondContact O-N 3.01Å; A207-T209 VanDerWaalsContact O-N 3.16Å; T209-A334 WeakPolarHBondContact O-CA 3.34Å; T209-A334 PolarHBondContact O-N 3.01Å; T209-A334 WeakPolarHBondContact OG1-CA 3.48Å; T209-K335 HydrophobicContact CG2-CB 4.13Å; T209-K335 HydrophobicContact CG2-CD 3.91Å; T209-K335 HydrophobicContact CG2-CG 3.88Å; T209-K335 PolarHBondContact OG1-N 2.92Å |
| 210 | I | 98.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -100.4 | 129.5 | 176.4 | -66.5 | -179.3 | 0 | 0 | 0 | 108.5 | I205 A207 F212 L215 L297 I307 M331 | I205-I210 HydrophobicContact CB-CD1 4.29Å; I205-I210 HydrophobicContact CG2-CD1 3.8Å; I205-I210 HydrophobicContact CG2-CG1 3.95Å; A207-I210 PolarHBondContact O-N 2.94Å; I210-F212 HydrophobicContact CB-CD2 4.13Å; I210-F212 HydrophobicContact CB-CE1 4.32Å; I210-F212 HydrophobicContact CB-CE2 3.76Å; I210-F212 HydrophobicContact CB-CZ 3.87Å; I210-F212 HydrophobicContact CD1-CE1 4.37Å; I210-F212 HydrophobicContact CD1-CZ 3.96Å; I210-F212 HydrophobicContact CG1-CZ 4.49Å; I210-F212 HydrophobicContact CG2-CD1 3.53Å; I210-F212 HydrophobicContact CG2-CD2 3.68Å; I210-F212 HydrophobicContact CG2-CE1 3.49Å; I210-F212 VanDerWaalsContact CG2-CE1 3.49Å; I210-F212 HydrophobicContact CG2-CE2 3.63Å; I210-F212 HydrophobicContact CG2-CG 3.65Å; I210-F212 HydrophobicContact CG2-CZ 3.54Å; I210-F212 PolarHBondContact O-N 2.83Å; I210-L215 HydrophobicContact CG2-CD1 4.28Å; I210-L297 HydrophobicContact CD1-CD1 4.42Å; I210-L297 HydrophobicContact CG2-CD1 4.43Å; I210-I307 HydrophobicContact CD1-CB 4.11Å; I210-I307 HydrophobicContact CD1-CG1 3.93Å; I210-I307 HydrophobicContact CD1-CG2 4.14Å; I210-M331 HydrophobicContact CB-CE 3.6Å; I210-M331 HydrophobicContact CD1-CE 3.75Å; I210-M331 HydrophobicContact CD1-SD 3.75Å; I210-M331 HydrophobicContact CG1-CE 3.4Å; I210-M331 VanDerWaalsContact CG1-CE 3.4Å; I210-M331 HydrophobicContact CG1-SD 3.66Å; I210-M331 HydrophobicContact CG2-CE 3.1Å; I210-M331 HydrophobicContact CG2-SD 4.45Å |
| 211 | D | 98.5 | Very high | 97.9 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | trans | -82.5 | 89.5 | 166.5 | -173.5 | -2.6 | 0 | 0 | 0 | 109.6 | S213 V214 G330 | D211-S213 PolarHBondContact O-N 2.86Å; D211-S213 VanDerWaalsContact OD1-CB 3.29Å; D211-S213 WeakPolarHBondContact OD1-CB 3.32Å; D211-S213 PolarHBondContact OD1-N 2.84Å; D211-S213 PolarHBondContact OD1-OG 3.32Å; D211-V214 HydrophobicContact CB-CG2 4.4Å; D211-V214 WeakPolarHBondContact O-CG2 3.36Å; D211-G330 PolarHBondContact N-O 3.44Å | ||
| 212 | F | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 54 Ų | 54 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -69.7 | -15.6 | 176.8 | -68.9 | -73.6 | 0 | 0 | 0 | 113.4 | A207 I210 V214 L215 Y243 I307 | A207-F212 HydrophobicContact CB-CE2 4.2Å; A207-F212 HydrophobicContact CB-CZ 4.29Å; A207-F212 VanDerWaalsContact O-CE2 3.23Å; A207-F212 WeakPolarHBondContact O-CE2 3.38Å; I210-F212 HydrophobicContact CB-CD2 4.13Å; I210-F212 HydrophobicContact CB-CE1 4.32Å; I210-F212 HydrophobicContact CB-CE2 3.76Å; I210-F212 HydrophobicContact CB-CZ 3.87Å; I210-F212 HydrophobicContact CD1-CE1 4.37Å; I210-F212 HydrophobicContact CD1-CZ 3.96Å; I210-F212 HydrophobicContact CG1-CZ 4.49Å; I210-F212 HydrophobicContact CG2-CD1 3.53Å; I210-F212 HydrophobicContact CG2-CD2 3.68Å; I210-F212 HydrophobicContact CG2-CE1 3.49Å; I210-F212 VanDerWaalsContact CG2-CE1 3.49Å; I210-F212 HydrophobicContact CG2-CE2 3.63Å; I210-F212 HydrophobicContact CG2-CG 3.65Å; I210-F212 HydrophobicContact CG2-CZ 3.54Å; I210-F212 PolarHBondContact O-N 2.83Å; F212-V214 PolarHBondContact O-N 3.12Å; F212-L215 HydrophobicContact CD1-CD1 4.4Å; F212-L215 PolarHBondContact O-N 3.03Å; F212-Y243 HydrophobicContact CB-CD1 4.18Å; F212-Y243 HydrophobicContact CB-CE1 3.7Å; F212-Y243 AromaticContact CD1-CD1 3.57Å; F212-Y243 HydrophobicContact CD1-CD1 3.57Å; F212-Y243 AromaticContact CD1-CD2 3.45Å; F212-Y243 HydrophobicContact CD1-CD2 3.45Å; F212-Y243 VanDerWaalsContact CD1-CD2 3.45Å; F212-Y243 AromaticContact CD1-CE1 3.63Å; F212-Y243 HydrophobicContact CD1-CE1 3.63Å; F212-Y243 AromaticContact CD1-CE2 3.56Å; F212-Y243 HydrophobicContact CD1-CE2 3.56Å; F212-Y243 AromaticContact CD1-CG 3.47Å; F212-Y243 HydrophobicContact CD1-CG 3.47Å; F212-Y243 VanDerWaalsContact CD1-CG 3.47Å; F212-Y243 AromaticContact CD1-CZ 3.64Å; F212-Y243 HydrophobicContact CE1-CD1 4.43Å; F212-Y243 AromaticContact CE1-CD2 3.51Å; F212-Y243 HydrophobicContact CE1-CD2 3.51Å; F212-Y243 AromaticContact CE1-CE2 3.75Å; F212-Y243 HydrophobicContact CE1-CE2 3.75Å; F212-Y243 AromaticContact CE1-CG 3.89Å; F212-Y243 HydrophobicContact CE1-CG 3.89Å; F212-Y243 HydrophobicContact CG-CD1 4.31Å; F212-Y243 AromaticContact CG-CE1 3.99Å; F212-Y243 HydrophobicContact CG-CE1 3.99Å; F212-Y243 HydrophobicContact CG-CE2 4.28Å; F212-Y243 AromaticContact CG-CZ 3.99Å; F212-I307 HydrophobicContact CZ-CD1 4.26Å; F212-I307 HydrophobicContact CZ-CG1 4.18Å |
| 213 | S | 97.8 | Very high | 97.8 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -69.2 | -24.3 | -174.4 | 75.9 | 0 | 0 | 0 | 0 | 113 | D211 | D211-S213 PolarHBondContact O-N 2.86Å; D211-S213 VanDerWaalsContact OD1-CB 3.29Å; D211-S213 WeakPolarHBondContact OD1-CB 3.32Å; D211-S213 PolarHBondContact OD1-N 2.84Å; D211-S213 PolarHBondContact OD1-OG 3.32Å |
| 214 | V | 98.1 | Very high | 97.7 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 39% | 0.394 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -93.2 | -0.5 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | D211 F212 Q329 | D211-V214 HydrophobicContact CB-CG2 4.4Å; D211-V214 WeakPolarHBondContact O-CG2 3.36Å; F212-V214 PolarHBondContact O-N 3.12Å; V214-Q329 HydrophobicContact CG2-CG 4.13Å |
| 215 | L | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -107.3 | 142.9 | -173.1 | -56.3 | -175.6 | 0 | 0 | 0 | 112.1 | I210 F212 Y243 L297 Q329 M331 | I210-L215 HydrophobicContact CG2-CD1 4.28Å; F212-L215 HydrophobicContact CD1-CD1 4.4Å; F212-L215 PolarHBondContact O-N 3.03Å; L215-Y243 HydrophobicContact CB-CD1 4.08Å; L215-L297 HydrophobicContact CD1-CD1 3.47Å; L215-L297 VanDerWaalsContact CD1-CD1 3.47Å; L215-Q329 HydrophobicContact CD2-CG 4.36Å; L215-M331 HydrophobicContact CD1-CE 4.11Å |
| 216 | A | 97.8 | Very high | 97.7 | Very high | 62 Ų | 62 | 64 Ų | 64 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y243 I244 | A216-Y243 CarbonylContact O-C 3.53Å; A216-Y243 WeakPolarHBondContact O-CA 3.27Å; A216-I244 PolarHBondContact O-N 3.37Å |
| 217 | Q | 98 | Very high | 97.6 | Very high | 106 Ų | 106 | 63.3 Ų | 63.3 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.7 | 174.4 | -68 | -179.1 | 40 | 0 | 0 | 111 | P241 C242 Y243 | Q217-P241 HydrophobicContact CB-CB 4.17Å; Q217-P241 HydrophobicContact CG-CB 4.48Å; Q217-C242 CarbonylContact C-O 3.58Å; Q217-Y243 HydrophobicContact CG-CD1 3.68Å; Q217-Y243 HydrophobicContact CG-CE1 3.34Å |
| 218 | Q | 97.8 | Very high | 97.6 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 108.3 | 171.1 | 179.5 | 174.4 | 100.8 | 0 | 0 | 108.9 | Q80 P241 C242 I244 | Q80-Q218 PolarHBondContact NE2-O 2.99Å; Q218-P241 WeakPolarHBondContact O-CA 3.49Å; Q218-C242 PolarHBondContact N-O 3.46Å; Q218-C242 PolarHBondContact O-N 2.97Å; Q218-I244 HydrophobicContact CB-CD1 4.27Å |
| 219 | H | 98.2 | Very high | 97.6 | Very high | 114 Ų | 114 | 54.5 Ų | 54.5 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | trans | -82 | 166.7 | 175.4 | -65.9 | -84.1 | 0 | 0 | 0 | 112 | R82 | R82-H219 WeakPolarHBondContact CD-O 3.42Š| ||
| 220 | G | 97.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | trans | -67.7 | 175.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F81 | F81-G220 CarbonylContact O-C 3.49Å; F81-G220 VanDerWaalsContact O-CA 3.23Å; F81-G220 WeakPolarHBondContact O-CA 3.34Å | ||
| 221 | D | 97.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -84.3 | 153.4 | 178.9 | -61.7 | -0.9 | 0 | 0 | 0 | 111 | F81 R82 I83 P223 P225 | F81-D221 PolarHBondContact O-N 3.2Å; R82-D221 WeakPolarHBondContact CA-OD2 3.47Å; R82-D221 IonicContact NE-OD1 3.72Å; R82-D221 PolarHBondContact NE-OD1 2.98Å; I83-D221 PolarHBondContact N-OD2 2.85Å; D221-P223 CarbonylContact C-O 3.6Å; D221-P225 HydrophobicContact CB-CG 4.25Å | ||
| 222 | N | 95.3 | Very high | 97.4 | Very high | 160 Ų | 160 | 55 Ų | 55 | 86% | 0.856 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -130.8 | 119.3 | 172.9 | -176.9 | 31.5 | 0 | 0 | 0 | 108.9 | ||
| 223 | P | 94.2 | Very high | 97.2 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 75% | 0.753 | 33% | 0.328 | S | S | * | . | S | Bend | cis | -63.8 | 155 | 2.1 | 28.9 | -36.2 | 0 | 0 | 0 | 113.2 | D221 P225 | D221-P223 CarbonylContact C-O 3.6Å; P223-P225 WeakPolarHBondContact O-CD 3.36Å |
| 224 | M | 96.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 123.8 | -174.4 | -164.3 | 177.7 | -38.3 | 0 | 0 | 111.1 | F81 A233 H236 Q239 | F81-M224 HydrophobicContact CB-CG 3.98Å; F81-M224 HydrophobicContact CD2-CG 4.06Å; F81-M224 HydrophobicContact CD2-SD 3.83Å; F81-M224 HydrophobicContact CE2-SD 4.37Å; F81-M224 HydrophobicContact CG-CG 4.29Å; M224-A233 HydrophobicContact CB-CB 4.48Å; M224-H236 HydrophobicContact SD-CB 3.8Å; M224-H236 PolarHBondContact SD-CD2 3.09Å; M224-Q239 HydrophobicContact CE-CG 3.26Å; M224-Q239 HydrophobicContact SD-CG 3.67Å; M224-Q239 PolarHBondContact SD-OE1 3.03Å; M224-Q239 VanDerWaalsContact SD-OE1 3.37Å |
| 225 | P | 96.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 152.4 | 176.1 | -22.1 | 33.4 | 0 | 0 | 0 | 113.2 | F81 I83 T95 D221 P223 H236 | F81-P225 HydrophobicContact CB-CB 4.22Å; F81-P225 HydrophobicContact CB-CG 4.25Å; F81-P225 VanDerWaalsContact CD1-O 3.25Å; F81-P225 WeakPolarHBondContact CD1-O 3.42Å; F81-P225 WeakPolarHBondContact CG-O 3.41Å; I83-P225 HydrophobicContact CD1-CB 3.71Å; I83-P225 HydrophobicContact CD1-CG 3.8Å; I83-P225 HydrophobicContact CG1-CB 4.14Å; I83-P225 HydrophobicContact CG1-CG 3.67Å; T95-P225 HydrophobicContact CG2-CB 4.18Å; D221-P225 HydrophobicContact CB-CG 4.25Å; P223-P225 WeakPolarHBondContact O-CD 3.36Å; P225-H236 PolarHBondContact O-NE2 3.09Å |
| 226 | V | 98.2 | Very high | 97.1 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | trans | -122.7 | 137.4 | 177.5 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | K61 D75 S228 A233 | K61-V226 PolarHBondContact NZ-O 3.02Å; D75-V226 WeakPolarHBondContact OD2-CG1 3.32Å; V226-S228 WeakPolarHBondContact CG1-O 3.18Å; V226-A233 HydrophobicContact CG2-CB 4.4Å | ||
| 227 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -81.1 | -50.1 | 177.8 | -94.6 | -78.9 | 0 | 0 | 0 | 113.3 | I51 V60 K61 A71 I74 D75 F81 T95 A97 | I51-F227 HydrophobicContact CG2-CZ 4.4Å; V60-F227 HydrophobicContact CB-CD1 3.9Å; V60-F227 HydrophobicContact CB-CE1 3.87Å; V60-F227 HydrophobicContact CG1-CB 4.47Å; V60-F227 HydrophobicContact CG1-CD1 3.39Å; V60-F227 HydrophobicContact CG1-CE1 3.8Å; V60-F227 HydrophobicContact CG1-CG 4.12Å; V60-F227 HydrophobicContact CG2-CE1 4.27Å; K61-F227 WeakPolarHBondContact CD-O 3.23Å; K61-F227 WeakPolarHBondContact CE-O 3.44Å; K61-F227 PolarHBondContact NZ-O 3.3Å; A71-F227 HydrophobicContact CB-CB 4.07Å; I74-F227 HydrophobicContact CG1-CD2 4.25Å; I74-F227 HydrophobicContact CG1-CE2 4.39Å; I74-F227 HydrophobicContact CG2-CB 3.74Å; I74-F227 HydrophobicContact CG2-CD2 3.52Å; I74-F227 HydrophobicContact CG2-CE2 4.24Å; I74-F227 HydrophobicContact CG2-CG 3.73Å; D75-F227 WeakPolarHBondContact OD1-CB 3.35Å; D75-F227 PolarHBondContact OD1-N 2.8Å; F81-F227 HydrophobicContact CD1-CD2 4.14Å; F81-F227 HydrophobicContact CD1-CE2 4.44Å; F81-F227 AromaticContact CE1-CD2 3.9Å; F81-F227 HydrophobicContact CE1-CD2 3.9Å; F81-F227 HydrophobicContact CE1-CE2 4.48Å; T95-F227 HydrophobicContact CG2-CD1 4.22Å; T95-F227 HydrophobicContact CG2-CD2 3.87Å; T95-F227 HydrophobicContact CG2-CE1 3.94Å; T95-F227 HydrophobicContact CG2-CE2 3.56Å; T95-F227 HydrophobicContact CG2-CG 4.2Å; T95-F227 HydrophobicContact CG2-CZ 3.61Å; T95-F227 VanDerWaalsContact O-CZ 3.25Å; T95-F227 WeakPolarHBondContact O-CZ 3.41Å; A97-F227 HydrophobicContact CB-CD2 4.26Å; A97-F227 HydrophobicContact CB-CE2 3.69Å |
| 228 | S | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -73.9 | 140 | -179.2 | -172 | 0 | 0 | 0 | 0 | 110.8 | D64 D75 V226 M230 G231 | D64-S228 VanDerWaalsContact CG-OG 3.29Å; D64-S228 WeakPolarHBondContact OD1-CB 3.34Å; D64-S228 PolarHBondContact OD1-OG 3.38Å; D64-S228 WeakPolarHBondContact OD2-CA 3.31Å; D64-S228 PolarHBondContact OD2-OG 3.26Å; D75-S228 WeakPolarHBondContact OD2-CA 3.39Å; D75-S228 WeakPolarHBondContact OD2-CB 3.46Å; D75-S228 PolarHBondContact OD2-N 2.91Å; V226-S228 WeakPolarHBondContact CG1-O 3.18Å; S228-M230 PolarHBondContact O-N 3.39Å; S228-M230 PolarHBondContact OG-N 2.93Å; S228-G231 PolarHBondContact O-N 3.35Å; S228-G231 VanDerWaalsContact O-N 3.1Å |
| 229 | F | 98.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.4 | 169.8 | -67.4 | -75.5 | 0 | 0 | 0 | 112.5 | K61 D64 A65 E441 A444 D445 Q537 | K61-F229 HydrophobicContact CB-CE2 4.26Å; K61-F229 HydrophobicContact CB-CZ 4.45Å; K61-F229 HydrophobicContact CD-CE1 4.39Å; K61-F229 HydrophobicContact CD-CE2 3.91Å; K61-F229 HydrophobicContact CD-CZ 3.8Å; D64-F229 HydrophobicContact CB-CD2 4.44Å; D64-F229 VanDerWaalsContact OD2-CD2 3.25Å; D64-F229 WeakPolarHBondContact OD2-CD2 3.32Å; D64-F229 PolarHBondContact OD2-N 3.49Å; A65-F229 HydrophobicContact CB-CE2 4.29Å; F229-E441 WeakPolarHBondContact CZ-O 3.48Å; F229-A444 HydrophobicContact CE2-CB 3.98Å; F229-A444 HydrophobicContact CZ-CB 3.97Å; F229-D445 HydrophobicContact CD1-CB 4.1Å; F229-D445 HydrophobicContact CD2-CB 3.81Å; F229-D445 HydrophobicContact CE1-CB 4.11Å; F229-D445 HydrophobicContact CE2-CB 3.84Å; F229-D445 HydrophobicContact CG-CB 3.95Å; F229-D445 HydrophobicContact CZ-CB 3.98Å; F229-Q537 PolarHBondContact O-NE2 2.79Å |
| 230 | M | 97.9 | Very high | 97.1 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 21% | 0.207 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -6.5 | 174.4 | -57.1 | -58.8 | -67.4 | 0 | 0 | 112.7 | S228 E461 R462 R465 | S228-M230 PolarHBondContact O-N 3.39Å; S228-M230 PolarHBondContact OG-N 2.93Å; M230-E461 HydrophobicContact CE-CG 3.94Å; M230-R462 HydrophobicContact CE-CB 4.38Å; M230-R462 HydrophobicContact CG-CB 4.3Å; M230-R462 HydrophobicContact CG-CG 4.25Å; M230-R462 HydrophobicContact SD-CB 4.02Å; M230-R462 HydrophobicContact SD-CG 4.02Å; M230-R465 HydrophobicContact CE-CB 3.75Å; M230-R465 HydrophobicContact CE-CG 4.07Å; M230-R465 HydrophobicContact SD-CB 3.77Å; M230-R465 HydrophobicContact SD-CG 3.69Å |
| 231 | G | 96.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 52 Ų | 52 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -77.7 | 167.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S228 | S228-G231 PolarHBondContact O-N 3.35Å; S228-G231 VanDerWaalsContact O-N 3.1Å | ||
| 232 | N | 95.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | trans | -143.9 | 155 | 169.6 | 67.1 | 74.8 | 0 | 0 | 0 | 110.5 | S234 Q235 | N232-S234 PolarHBondContact O-N 3.45Å; N232-S234 VanDerWaalsContact O-N 3.07Å; N232-S234 WeakPolarHBondContact OD1-CB 3.42Å; N232-S234 PolarHBondContact OD1-N 3.5Å; N232-S234 VanDerWaalsContact OD1-N 3.13Å; N232-S234 PolarHBondContact OD1-OG 3.08Å; N232-Q235 VanDerWaalsContact O-CB 3.31Å; N232-Q235 WeakPolarHBondContact O-CB 3.44Å; N232-Q235 PolarHBondContact O-N 2.87Å; N232-Q235 PolarHBondContact OD1-N 3.23Å | ||
| 233 | A | 95 | Very high | 97.4 | Very high | 48 Ų | 48 | 44 Ų | 44 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -61 | -23.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M224 V226 Q235 H236 | M224-A233 HydrophobicContact CB-CB 4.48Å; V226-A233 HydrophobicContact CG2-CB 4.4Å; A233-Q235 PolarHBondContact O-N 3.41Å; A233-H236 WeakPolarHBondContact O-CB 3.39Å; A233-H236 PolarHBondContact O-CD2 3.09Å; A233-H236 PolarHBondContact O-N 2.98Å |
| 234 | S | 96.7 | Very high | 97.6 | Very high | 109 Ų | 109 | 40 Ų | 40 | 76% | 0.762 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -73.5 | -14.1 | 178.6 | 79.7 | 0 | 0 | 0 | 0 | 113.7 | N232 H236 | N232-S234 PolarHBondContact O-N 3.45Å; N232-S234 VanDerWaalsContact O-N 3.07Å; N232-S234 WeakPolarHBondContact OD1-CB 3.42Å; N232-S234 PolarHBondContact OD1-N 3.5Å; N232-S234 VanDerWaalsContact OD1-N 3.13Å; N232-S234 PolarHBondContact OD1-OG 3.08Å; S234-H236 VanDerWaalsContact C-N 3.26Å |
| 235 | Q | 97.1 | Very high | 97.7 | Very high | 63 Ų | 63 | 37.3 Ų | 37.3 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -74.8 | -18.3 | 174.2 | -70.5 | 173.5 | -27.5 | 0 | 0 | 112.8 | N232 A233 | N232-Q235 VanDerWaalsContact O-CB 3.31Å; N232-Q235 WeakPolarHBondContact O-CB 3.44Å; N232-Q235 PolarHBondContact O-N 2.87Å; N232-Q235 PolarHBondContact OD1-N 3.23Å; A233-Q235 PolarHBondContact O-N 3.41Å |
| 236 | H | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 9% | 0.088 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -73.8 | 137.1 | -175.5 | -59.9 | -29.3 | 0 | 0 | 0 | 111.4 | D75 F81 M224 P225 A233 S234 | D75-H236 WeakPolarHBondContact O-CA 3.42Å; D75-H236 PolarHBondContact O-ND1 2.93Å; D75-H236 IonicContact OD1-CE1 3.39Å; D75-H236 PolarHBondContact OD1-CE1 2.93Å; F81-H236 AromaticContact CE1-CE1 3.78Å; F81-H236 HydrophobicContact CE2-CB 3.95Å; F81-H236 AromaticContact CE2-CD2 3.73Å; F81-H236 AromaticContact CE2-CE1 3.83Å; F81-H236 AromaticContact CE2-CG 3.43Å; F81-H236 VanDerWaalsContact CE2-CG 3.43Å; F81-H236 AromaticContact CE2-ND1 3.51Å; F81-H236 AromaticContact CE2-NE2 3.97Å; F81-H236 AromaticContact CZ-CE1 3.38Å; F81-H236 WeakPolarHBondContact CZ-CE1 3.23Å; F81-H236 AromaticContact CZ-CG 3.77Å; F81-H236 AromaticContact CZ-ND1 3.32Å; F81-H236 VanDerWaalsContact CZ-ND1 3.32Å; F81-H236 WeakPolarHBondContact CZ-ND1 3.47Å; F81-H236 AromaticContact CZ-NE2 3.85Å; M224-H236 HydrophobicContact SD-CB 3.8Å; M224-H236 PolarHBondContact SD-CD2 3.09Å; P225-H236 PolarHBondContact O-NE2 3.09Å; A233-H236 WeakPolarHBondContact O-CB 3.39Å; A233-H236 PolarHBondContact O-CD2 3.09Å; A233-H236 PolarHBondContact O-N 2.98Å; S234-H236 VanDerWaalsContact C-N 3.26Å |
| 237 | P | 98.1 | Very high | 97.7 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | trans | -58.8 | 178 | 167.5 | -25.4 | 33.7 | 0 | 0 | 0 | 113.5 | Q76 G78 I79 L103 Q239 L302 | Q76-P237 WeakPolarHBondContact O-CD 3.5Å; Q76-P237 WeakPolarHBondContact O-CG 3.36Å; G78-P237 WeakPolarHBondContact O-CD 3.28Å; I79-P237 HydrophobicContact CG2-CB 4.39Å; L103-P237 HydrophobicContact CD1-CB 4.02Å; L103-P237 HydrophobicContact CD1-CG 3.63Å; P237-Q239 PolarHBondContact O-N 3.25Å; P237-Q239 PolarHBondContact O-NE2 3.22Å; P237-L302 HydrophobicContact CB-CD1 3.92Å | ||
| 238 | Q | 97.9 | Very high | 97.7 | Very high | 142 Ų | 142 | 40.4 Ų | 40.4 | 66% | 0.664 | 22% | 0.223 | S | C | * | . | trans | -52.6 | 131.9 | 171.8 | -179.3 | -178.5 | -22.5 | 0 | 0 | 111.3 | L302 | Q238-L302 HydrophobicContact CB-CD1 4.11Å; Q238-L302 HydrophobicContact CB-CD2 4.22Å | ||
| 239 | Q | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | trans | -86 | 138.2 | 177.9 | -57.2 | -61 | -73.7 | 0 | 0 | 111.9 | G78 I79 M224 P237 | G78-Q239 PolarHBondContact O-NE2 3Å; I79-Q239 CarbonylContact O-C 3.41Å; I79-Q239 VanDerWaalsContact O-CA 3.23Å; I79-Q239 WeakPolarHBondContact O-CA 3.41Å; M224-Q239 HydrophobicContact CE-CG 3.26Å; M224-Q239 HydrophobicContact SD-CG 3.67Å; M224-Q239 PolarHBondContact SD-OE1 3.03Å; M224-Q239 VanDerWaalsContact SD-OE1 3.37Å; P237-Q239 PolarHBondContact O-N 3.25Å; P237-Q239 PolarHBondContact O-NE2 3.22Å | ||
| 240 | V | 97.9 | Very high | 97.6 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | trans | -131 | 149.7 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I79 Q80 P299 L302 | I79-V240 HydrophobicContact CB-CG2 4.04Å; I79-V240 HydrophobicContact CD1-CG2 3.77Å; I79-V240 HydrophobicContact CG1-CG2 3.93Å; I79-V240 PolarHBondContact O-N 3.2Å; Q80-V240 PolarHBondContact NE2-O 2.91Å; V240-P299 HydrophobicContact CG2-CB 4.32Å; V240-P299 HydrophobicContact CG2-CG 3.99Å; V240-L302 HydrophobicContact CG1-CD2 3.67Å | ||
| 241 | P | 98.1 | Very high | 97.6 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | trans | -74.1 | 155.6 | 174 | 30.3 | -33.5 | 0 | 0 | 0 | 111.9 | Q217 Q218 Y243 | Q217-P241 HydrophobicContact CB-CB 4.17Å; Q217-P241 HydrophobicContact CG-CB 4.48Å; Q218-P241 WeakPolarHBondContact O-CA 3.49Å; P241-Y243 HydrophobicContact CG-CE2 4.31Å | ||
| 242 | C | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 162.2 | 156.9 | -67.1 | 0 | 0 | 0 | 0 | 108.9 | Q98 Q217 Q218 | Q98-C242 PolarHBondContact NE2-SG 3.22Å; Q217-C242 CarbonylContact C-O 3.58Å; Q218-C242 PolarHBondContact N-O 3.46Å; Q218-C242 PolarHBondContact O-N 2.97Å |
| 243 | Y | 98.7 | Very high | 97.7 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153 | 175.9 | -61.4 | -102.5 | 0 | 0 | 0 | 111 | F212 L215 A216 Q217 P241 F296 L297 | F212-Y243 HydrophobicContact CB-CD1 4.18Å; F212-Y243 HydrophobicContact CB-CE1 3.7Å; F212-Y243 AromaticContact CD1-CD1 3.57Å; F212-Y243 HydrophobicContact CD1-CD1 3.57Å; F212-Y243 AromaticContact CD1-CD2 3.45Å; F212-Y243 HydrophobicContact CD1-CD2 3.45Å; F212-Y243 VanDerWaalsContact CD1-CD2 3.45Å; F212-Y243 AromaticContact CD1-CE1 3.63Å; F212-Y243 HydrophobicContact CD1-CE1 3.63Å; F212-Y243 AromaticContact CD1-CE2 3.56Å; F212-Y243 HydrophobicContact CD1-CE2 3.56Å; F212-Y243 AromaticContact CD1-CG 3.47Å; F212-Y243 HydrophobicContact CD1-CG 3.47Å; F212-Y243 VanDerWaalsContact CD1-CG 3.47Å; F212-Y243 AromaticContact CD1-CZ 3.64Å; F212-Y243 HydrophobicContact CE1-CD1 4.43Å; F212-Y243 AromaticContact CE1-CD2 3.51Å; F212-Y243 HydrophobicContact CE1-CD2 3.51Å; F212-Y243 AromaticContact CE1-CE2 3.75Å; F212-Y243 HydrophobicContact CE1-CE2 3.75Å; F212-Y243 AromaticContact CE1-CG 3.89Å; F212-Y243 HydrophobicContact CE1-CG 3.89Å; F212-Y243 HydrophobicContact CG-CD1 4.31Å; F212-Y243 AromaticContact CG-CE1 3.99Å; F212-Y243 HydrophobicContact CG-CE1 3.99Å; F212-Y243 HydrophobicContact CG-CE2 4.28Å; F212-Y243 AromaticContact CG-CZ 3.99Å; L215-Y243 HydrophobicContact CB-CD1 4.08Å; A216-Y243 CarbonylContact O-C 3.53Å; A216-Y243 WeakPolarHBondContact O-CA 3.27Å; Q217-Y243 HydrophobicContact CG-CD1 3.68Å; Q217-Y243 HydrophobicContact CG-CE1 3.34Å; P241-Y243 HydrophobicContact CG-CE2 4.31Å; Y243-F296 CarbonylContact O-C 3.54Å; Y243-F296 WeakPolarHBondContact O-CA 3.41Å; Y243-L297 PolarHBondContact N-O 3.26Å; Y243-L297 PolarHBondContact O-N 3.27Å |
| 244 | I | 98.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.4 | -178.9 | -54.5 | 177.5 | 0 | 0 | 0 | 109.2 | A216 Q218 Q294 F296 | A216-I244 PolarHBondContact O-N 3.37Å; Q218-I244 HydrophobicContact CB-CD1 4.27Å; I244-Q294 HydrophobicContact CG2-CG 3.65Å; I244-F296 HydrophobicContact CD1-CD1 4.47Å; I244-F296 HydrophobicContact CD1-CE1 3.88Å; I244-F296 HydrophobicContact CG1-CD1 3.91Å; I244-F296 HydrophobicContact CG1-CE1 3.83Å |
| 245 | T | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | -179.9 | 168.8 | -168 | 0 | 0 | 0 | 0 | 109.6 | I295 L297 M328 Q329 | T245-I295 HydrophobicContact CG2-CB 3.92Å; T245-I295 HydrophobicContact CG2-CG2 4.16Å; T245-I295 PolarHBondContact N-O 2.83Å; T245-I295 PolarHBondContact O-N 2.66Å; T245-I295 VanDerWaalsContact O-O 3.08Å; T245-L297 HydrophobicContact CG2-CD1 4.3Å; T245-L297 HydrophobicContact CG2-CD2 4.12Å; T245-L297 HydrophobicContact CG2-CG 4.16Å; T245-M328 HydrophobicContact CG2-SD 4.44Å; T245-Q329 PolarHBondContact OG1-O 3.49Å |
| 246 | H | 98.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.7 | -178.1 | -58.6 | 82.5 | 0 | 0 | 0 | 110.9 | Q292 H293 | H246-Q292 HydrophobicContact CB-CB 4.45Å; H246-H293 WeakPolarHBondContact CA-O 3.36Å |
| 247 | T | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | trans | -69.2 | 160.3 | 157.4 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | T251 H252 I280 Q292 H293 I295 I312 M328 | T247-T251 HydrophobicContact CG2-CG2 3.93Å; T247-H252 PolarHBondContact OG1-NE2 3.13Å; T247-I280 HydrophobicContact CG2-CD1 4.22Å; T247-Q292 WeakPolarHBondContact O-CA 3.39Å; T247-Q292 WeakPolarHBondContact O-CB 3.49Å; T247-H293 PolarHBondContact N-O 3.19Å; T247-H293 WeakPolarHBondContact OG1-CB 3.43Å; T247-H293 PolarHBondContact OG1-N 3.02Å; T247-H293 PolarHBondContact OG1-O 2.92Å; T247-I295 HydrophobicContact CG2-CD1 4.16Å; T247-I295 HydrophobicContact CG2-CG1 4.02Å; T247-I312 HydrophobicContact CG2-CG2 4.27Å; T247-M328 HydrophobicContact CG2-CG 4.46Å; T247-M328 HydrophobicContact CG2-SD 3.89Å | ||
| 248 | N | 97.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | trans | -138.8 | -178.6 | 177.9 | 55.7 | 48.2 | 0 | 0 | 0 | 110.6 | K250 T251 H252 N291 S327 | N248-K250 VanDerWaalsContact C-N 3.28Å; N248-K250 PolarHBondContact O-N 3.02Å; N248-K250 WeakPolarHBondContact OD1-CB 3.49Å; N248-K250 PolarHBondContact OD1-N 3.26Å; N248-K250 VanDerWaalsContact OD1-N 3.13Å; N248-T251 PolarHBondContact N-OG1 3.41Å; N248-T251 VanDerWaalsContact N-OG1 3.11Å; N248-T251 WeakPolarHBondContact O-CA 3.21Å; N248-T251 WeakPolarHBondContact O-CB 3.28Å; N248-T251 PolarHBondContact O-N 3.25Å; N248-T251 PolarHBondContact O-OG1 2.87Å; N248-T251 PolarHBondContact OD1-N 3.46Å; N248-T251 PolarHBondContact OD1-OG1 3.35Å; N248-H252 PolarHBondContact O-CD2 3.13Å; N248-H252 VanDerWaalsContact O-CD2 3.26Å; N248-H252 PolarHBondContact O-N 3.02Å; N248-N291 CarbonylContact C-O 3.56Å; N248-N291 WeakPolarHBondContact CA-O 3.22Å; N248-S327 PolarHBondContact ND2-O 2.9Å | ||
| 249 | E | 97.3 | Very high | 97.4 | Very high | 113 Ų | 113 | 42.1 Ų | 42.1 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.8 | -41.1 | -179.8 | -65.1 | -177.5 | 151 | 0 | 0 | 112.4 | T251 H252 D253 N291 | E249-T251 VanDerWaalsContact C-N 3.33Å; E249-T251 PolarHBondContact O-N 3.35Å; E249-H252 PolarHBondContact O-N 3.43Å; E249-D253 PolarHBondContact O-N 3Å; E249-N291 HydrophobicContact CG-CB 4.05Å; E249-N291 PolarHBondContact N-O 2.88Å; E249-N291 PolarHBondContact OE1-ND2 3.14Å; E249-N291 VanDerWaalsContact OE1-ND2 3.11Å |
| 250 | K | 97.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 44.8 Ų | 44.8 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.8 | -41.3 | 175.2 | -179.2 | -177.1 | 178.3 | -176.7 | 0 | 111.6 | N248 H252 D253 V254 | N248-K250 VanDerWaalsContact C-N 3.28Å; N248-K250 PolarHBondContact O-N 3.02Å; N248-K250 WeakPolarHBondContact OD1-CB 3.49Å; N248-K250 PolarHBondContact OD1-N 3.26Å; N248-K250 VanDerWaalsContact OD1-N 3.13Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.09Å; K250-D253 PolarHBondContact O-N 3.07Å; K250-V254 WeakPolarHBondContact O-CG2 3.09Å; K250-V254 PolarHBondContact O-N 3.49Å; K250-V254 VanDerWaalsContact O-N 3.1Å |
| 251 | T | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 173.3 | -44.7 | 0 | 0 | 0 | 0 | 111.1 | T247 N248 E249 V254 I255 I324 S327 | T247-T251 HydrophobicContact CG2-CG2 3.93Å; N248-T251 PolarHBondContact N-OG1 3.41Å; N248-T251 VanDerWaalsContact N-OG1 3.11Å; N248-T251 WeakPolarHBondContact O-CA 3.21Å; N248-T251 WeakPolarHBondContact O-CB 3.28Å; N248-T251 PolarHBondContact O-N 3.25Å; N248-T251 PolarHBondContact O-OG1 2.87Å; N248-T251 PolarHBondContact OD1-N 3.46Å; N248-T251 PolarHBondContact OD1-OG1 3.35Å; E249-T251 VanDerWaalsContact C-N 3.33Å; E249-T251 PolarHBondContact O-N 3.35Å; T251-V254 PolarHBondContact O-N 3.22Å; T251-I255 HydrophobicContact CG2-CD1 4.29Å; T251-I255 WeakPolarHBondContact O-CG1 3.37Å; T251-I255 PolarHBondContact O-N 2.6Å; T251-I255 VanDerWaalsContact O-N 3.16Å; T251-I324 HydrophobicContact CG2-CB 4.44Å; T251-I324 HydrophobicContact CG2-CG2 3.79Å; T251-S327 VanDerWaalsContact CA-OG 3.31Å; T251-S327 WeakPolarHBondContact CA-OG 3.43Å; T251-S327 VanDerWaalsContact CB-OG 3.25Å; T251-S327 WeakPolarHBondContact CB-OG 3.43Å; T251-S327 WeakPolarHBondContact CG2-OG 3.45Å; T251-S327 PolarHBondContact OG1-OG 3.13Å |
| 252 | H | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.7 | -37.1 | -176.8 | -60.8 | 178.7 | 0 | 0 | 0 | 111.6 | T247 N248 E249 K250 I255 R256 V284 R290 N291 H293 | T247-H252 PolarHBondContact OG1-NE2 3.13Å; N248-H252 PolarHBondContact O-CD2 3.13Å; N248-H252 VanDerWaalsContact O-CD2 3.26Å; N248-H252 PolarHBondContact O-N 3.02Å; E249-H252 PolarHBondContact O-N 3.43Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.09Å; H252-I255 WeakPolarHBondContact O-CB 3.41Å; H252-I255 PolarHBondContact O-N 3.12Å; H252-R256 VanDerWaalsContact O-CG 3.3Å; H252-R256 WeakPolarHBondContact O-CG 3.46Å; H252-R256 PolarHBondContact O-N 3.44Å; H252-V284 HydrophobicContact CB-CG1 3.91Å; H252-R290 PolarHBondContact CE1-O 3.36Å; H252-R290 PolarHBondContact ND1-O 3.31Å; H252-N291 VanDerWaalsContact CE1-C 3.5Å; H252-N291 PolarHBondContact CE1-O 3.02Å; H252-H293 AromaticContact NE2-CD2 3.8Å |
| 253 | D | 97.2 | Very high | 95.8 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66 | -39.5 | 176 | -69.1 | -18.2 | 0 | 0 | 0 | 112.1 | E249 K250 I255 R256 S257 | E249-D253 PolarHBondContact O-N 3Å; K250-D253 PolarHBondContact O-N 3.07Å; D253-I255 VanDerWaalsContact C-N 3.31Å; D253-I255 PolarHBondContact O-N 3.42Å; D253-R256 PolarHBondContact O-N 2.58Å; D253-R256 IonicContact OD1-NH1 3.81Å; D253-R256 PolarHBondContact OD1-NH1 2.78Å; D253-S257 VanDerWaalsContact O-CB 3.26Å; D253-S257 WeakPolarHBondContact O-CB 3.4Å; D253-S257 PolarHBondContact O-N 3.43Å; D253-S257 PolarHBondContact O-OG 3.1Å |
| 254 | V | 97.5 | Very high | 95.2 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 171.8 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | K250 T251 N258 V320 Q323 I324 | K250-V254 WeakPolarHBondContact O-CG2 3.09Å; K250-V254 PolarHBondContact O-N 3.49Å; K250-V254 VanDerWaalsContact O-N 3.1Å; T251-V254 PolarHBondContact O-N 3.22Å; V254-N258 PolarHBondContact O-N 3.24Å; V254-N258 PolarHBondContact O-ND2 2.92Å; V254-V320 HydrophobicContact CG1-CG1 3.97Å; V254-Q323 HydrophobicContact CG1-CB 3.66Å; V254-Q323 HydrophobicContact CG2-CB 4.27Å; V254-I324 HydrophobicContact CG1-CG1 3.82Å |
| 255 | I | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -53.4 | 178.1 | -71.6 | 165.8 | 0 | 0 | 0 | 110.5 | T251 H252 D253 S257 N258 L259 I280 E281 V284 L316 I324 | T251-I255 HydrophobicContact CG2-CD1 4.29Å; T251-I255 WeakPolarHBondContact O-CG1 3.37Å; T251-I255 PolarHBondContact O-N 2.6Å; T251-I255 VanDerWaalsContact O-N 3.16Å; H252-I255 WeakPolarHBondContact O-CB 3.41Å; H252-I255 PolarHBondContact O-N 3.12Å; D253-I255 VanDerWaalsContact C-N 3.31Å; D253-I255 PolarHBondContact O-N 3.42Å; I255-S257 VanDerWaalsContact C-N 3.27Å; I255-S257 PolarHBondContact O-N 3.49Å; I255-N258 CarbonylContact O-C 3.6Å; I255-N258 PolarHBondContact O-N 3.41Å; I255-L259 HydrophobicContact CG2-CD2 4.2Å; I255-L259 WeakPolarHBondContact O-CG 3.47Å; I255-L259 PolarHBondContact O-N 2.83Å; I255-I280 HydrophobicContact CD1-CB 4.49Å; I255-I280 HydrophobicContact CD1-CG1 3.74Å; I255-I280 HydrophobicContact CD1-CG2 4.13Å; I255-E281 HydrophobicContact CG2-CB 3.91Å; I255-V284 HydrophobicContact CD1-CG2 3.89Å; I255-V284 HydrophobicContact CG2-CB 4.42Å; I255-V284 HydrophobicContact CG2-CG1 4.47Å; I255-L316 HydrophobicContact CG1-CD1 4.32Å; I255-I324 HydrophobicContact CD1-CD1 4.18Å; I255-I324 HydrophobicContact CD1-CG1 4.44Å; I255-I324 HydrophobicContact CG1-CD1 3.56Å; I255-I324 HydrophobicContact CG1-CG1 3.89Å |
| 256 | R | 95.6 | Very high | 93.7 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.8 | -40.8 | -177.9 | -71.8 | 176.2 | -164.7 | 120.8 | 0.8 | 112 | H252 D253 N258 M285 | H252-R256 VanDerWaalsContact O-CG 3.3Å; H252-R256 WeakPolarHBondContact O-CG 3.46Å; H252-R256 PolarHBondContact O-N 3.44Å; D253-R256 PolarHBondContact O-N 2.58Å; D253-R256 IonicContact OD1-NH1 3.81Å; D253-R256 PolarHBondContact OD1-NH1 2.78Å; R256-N258 PolarHBondContact O-N 3.18Å; R256-M285 HydrophobicContact CG-SD 4.46Å |
| 257 | S | 96.6 | Very high | 93 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 62% | 0.622 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.5 | -179.7 | -54.4 | 0 | 0 | 0 | 0 | 113.9 | D253 I255 | D253-S257 VanDerWaalsContact O-CB 3.26Å; D253-S257 WeakPolarHBondContact O-CB 3.4Å; D253-S257 PolarHBondContact O-N 3.43Å; D253-S257 PolarHBondContact O-OG 3.1Å; I255-S257 VanDerWaalsContact C-N 3.27Å; I255-S257 PolarHBondContact O-N 3.49Å |
| 258 | N | 96.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 16.5 | -177.5 | -70.3 | -89.1 | 0 | 0 | 0 | 113.1 | V254 I255 R256 D260 R261 L316 V320 | V254-N258 PolarHBondContact O-N 3.24Å; V254-N258 PolarHBondContact O-ND2 2.92Å; I255-N258 CarbonylContact O-C 3.6Å; I255-N258 PolarHBondContact O-N 3.41Å; R256-N258 PolarHBondContact O-N 3.18Å; N258-D260 VanDerWaalsContact C-N 3.26Å; N258-D260 VanDerWaalsContact C-OD1 3.29Å; N258-D260 WeakPolarHBondContact CA-OD1 3.3Å; N258-D260 PolarHBondContact O-N 2.73Å; N258-R261 PolarHBondContact O-N 2.88Å; N258-R261 PolarHBondContact OD1-NH1 3.01Å; N258-R261 VanDerWaalsContact OD1-NH1 3.07Å; N258-L316 HydrophobicContact CB-CD2 4.42Å; N258-L316 VanDerWaalsContact O-CD2 3.31Å; N258-L316 WeakPolarHBondContact O-CD2 3.27Å; N258-V320 HydrophobicContact CB-CG1 3.83Å; N258-V320 HydrophobicContact CB-CG2 3.84Å; N258-V320 VanDerWaalsContact CG-CG2 3.49Å; N258-V320 VanDerWaalsContact OD1-CG2 3.3Å; N258-V320 WeakPolarHBondContact OD1-CG2 3.49Å |
| 259 | L | 93.2 | Very high | 91.5 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -63.1 | -32.3 | -179.5 | -75.7 | 170.5 | 0 | 0 | 0 | 112.8 | I255 R261 S262 Y265 E281 M285 | I255-L259 HydrophobicContact CG2-CD2 4.2Å; I255-L259 WeakPolarHBondContact O-CG 3.47Å; I255-L259 PolarHBondContact O-N 2.83Å; L259-R261 PolarHBondContact O-N 3.32Å; L259-S262 WeakPolarHBondContact O-CB 3.32Å; L259-S262 PolarHBondContact O-N 3.49Å; L259-Y265 HydrophobicContact CD2-CD2 3.83Å; L259-Y265 HydrophobicContact CD2-CE2 3.8Å; L259-Y265 HydrophobicContact CD2-CG 4.4Å; L259-Y265 WeakPolarHBondContact O-CB 3.45Å; L259-E281 HydrophobicContact CD2-CB 4.12Å; L259-M285 HydrophobicContact CD1-CE 4Å; L259-M285 HydrophobicContact CD1-CG 3.94Å; L259-M285 HydrophobicContact CD1-SD 3.45Å; L259-M285 WeakPolarHBondContact CD1-SD 3.23Å; L259-M285 HydrophobicContact CD2-CG 4.17Å |
| 260 | D | 92.6 | Very high | 90.8 | Very high | 112 Ų | 112 | 53.9 Ų | 53.9 | 60% | 0.599 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -59.2 | -23.7 | 173.7 | 64.8 | -48.5 | 0 | 0 | 0 | 112.9 | N258 | N258-D260 VanDerWaalsContact C-N 3.26Å; N258-D260 VanDerWaalsContact C-OD1 3.29Å; N258-D260 WeakPolarHBondContact CA-OD1 3.3Å; N258-D260 PolarHBondContact O-N 2.73Å |
| 261 | R | 92.7 | Very high | 90 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -96.1 | 0.8 | 177 | -57.5 | 170.6 | 65.5 | -156.1 | -1.4 | 113.1 | N258 L259 P317 D319 | N258-R261 PolarHBondContact O-N 2.88Å; N258-R261 PolarHBondContact OD1-NH1 3.01Å; N258-R261 VanDerWaalsContact OD1-NH1 3.07Å; L259-R261 PolarHBondContact O-N 3.32Å; R261-P317 HydrophobicContact CB-CG 3.75Å; R261-P317 VanDerWaalsContact NH2-CB 3.28Å; R261-D319 IonicContact CZ-OD1 2.95Å; R261-D319 IonicContact CZ-OD2 3.81Å; R261-D319 IonicContact NH1-OD1 2.81Å; R261-D319 IonicContact NH1-OD2 3.46Å; R261-D319 PolarHBondContact NH1-OD2 3.44Å; R261-D319 VanDerWaalsContact NH2-CG 3.32Å; R261-D319 IonicContact NH2-OD1 3.2Å; R261-D319 PolarHBondContact NH2-OD1 3.1Å; R261-D319 IonicContact NH2-OD2 2.67Å; R261-D319 PolarHBondContact NH2-OD2 3.27Å |
| 262 | S | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -80.6 | 124.3 | 171 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | L259 M264 Y265 A266 S315 | L259-S262 WeakPolarHBondContact O-CB 3.32Å; L259-S262 PolarHBondContact O-N 3.49Å; S262-M264 PolarHBondContact O-N 3.42Å; S262-M264 PolarHBondContact OG-N 2.93Å; S262-Y265 PolarHBondContact O-N 3.32Å; S262-A266 WeakPolarHBondContact O-CB 3.1Å; S262-A266 PolarHBondContact O-N 3.19Å; S262-S315 PolarHBondContact OG-OG 3.44Å | ||
| 263 | P | 85.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.3 | 178.1 | 26.9 | -35.2 | 0 | 0 | 0 | 112.5 | H164 G166 V268 I269 S315 | H164-P263 HydrophobicContact CB-CB 4.43Å; H164-P263 HydrophobicContact CB-CG 4.04Å; G166-P263 WeakPolarHBondContact O-CB 3.46Å; G166-P263 VanDerWaalsContact O-CD 3.27Å; G166-P263 WeakPolarHBondContact O-CD 3.47Å; G166-P263 WeakPolarHBondContact O-CG 3.36Å; P263-V268 HydrophobicContact CB-CB 3.88Å; P263-V268 HydrophobicContact CB-CG1 4.27Å; P263-V268 PolarHBondContact O-N 3.4Å; P263-I269 HydrophobicContact CB-CD1 3.8Å; P263-I269 HydrophobicContact CB-CG1 3.98Å; P263-I269 HydrophobicContact CG-CD1 3.67Å; P263-I269 HydrophobicContact CG-CG1 4.39Å; P263-I269 PolarHBondContact O-N 3.29Å; P263-I269 VanDerWaalsContact O-N 3.1Å; P263-S315 VanDerWaalsContact CD-O 3.29Å; P263-S315 WeakPolarHBondContact CD-O 3.49Å; P263-S315 WeakPolarHBondContact CD-OG 3.41Å |
| 264 | M | 85 | Confident | 87.7 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -43.7 | 173.4 | -57.6 | -166.8 | 13.4 | 0 | 0 | 112.8 | K198 S262 I269 S279 D282 | K198-M264 HydrophobicContact CD-CG 4.36Å; K198-M264 HydrophobicContact CD-SD 4.1Å; K198-M264 WeakPolarHBondContact CE-SD 3.33Å; K198-M264 PolarHBondContact NZ-SD 2.89Å; S262-M264 PolarHBondContact O-N 3.42Å; S262-M264 PolarHBondContact OG-N 2.93Å; M264-I269 HydrophobicContact CG-CD1 3.86Å; M264-S279 PolarHBondContact SD-OG 3.24Å; M264-D282 HydrophobicContact CE-CB 3.81Å |
| 265 | Y | 83.5 | Confident | 86.8 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -24.4 | -176.1 | -74.4 | -83.4 | 0 | 0 | 0 | 112.3 | L259 S262 G267 E281 D282 M285 | L259-Y265 HydrophobicContact CD2-CD2 3.83Å; L259-Y265 HydrophobicContact CD2-CE2 3.8Å; L259-Y265 HydrophobicContact CD2-CG 4.4Å; L259-Y265 WeakPolarHBondContact O-CB 3.45Å; S262-Y265 PolarHBondContact O-N 3.32Å; Y265-G267 PolarHBondContact O-N 3.12Å; Y265-E281 HydrophobicContact CE2-CB 4.44Å; Y265-E281 HydrophobicContact CE2-CG 4.26Å; Y265-D282 WeakPolarHBondContact OH-CA 3.42Å; Y265-M285 WeakPolarHBondContact OH-CB 3.38Å; Y265-M285 WeakPolarHBondContact OH-CG 3.5Å |
| 266 | A | 82.8 | Confident | 85.5 | Confident | 48 Ų | 48 | 61 Ų | 61 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L167 S262 V268 | L167-A266 HydrophobicContact CD2-CB 3.86Å; S262-A266 WeakPolarHBondContact O-CB 3.1Å; S262-A266 PolarHBondContact O-N 3.19Å; A266-V268 VanDerWaalsContact C-N 3.3Å; A266-V268 HydrophobicContact CB-CG2 4.05Å; A266-V268 PolarHBondContact O-N 3.05Å |
| 267 | G | 82.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 65% | 0.649 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 20.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y265 | Y265-G267 PolarHBondContact O-N 3.12Š|
| 268 | V | 83.5 | Confident | 83.8 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | trans | -79.6 | -29.9 | 179 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | L167 P263 A266 | L167-V268 HydrophobicContact CD2-CG2 4.08Å; P263-V268 HydrophobicContact CB-CB 3.88Å; P263-V268 HydrophobicContact CB-CG1 4.27Å; P263-V268 PolarHBondContact O-N 3.4Å; A266-V268 VanDerWaalsContact C-N 3.3Å; A266-V268 HydrophobicContact CB-CG2 4.05Å; A266-V268 PolarHBondContact O-N 3.05Å | ||
| 269 | I | 81.4 | Confident | 83.6 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | trans | -91.4 | 124.1 | 177.1 | -72.5 | 163.5 | 0 | 0 | 0 | 110.6 | H164 K198 P263 M264 G271 A342 E344 | H164-I269 HydrophobicContact CB-CD1 4.3Å; K198-I269 HydrophobicContact CB-CG2 4.11Å; K198-I269 HydrophobicContact CD-CD1 4.31Å; K198-I269 HydrophobicContact CD-CG2 3.62Å; K198-I269 HydrophobicContact CG-CG2 4.33Å; P263-I269 HydrophobicContact CB-CD1 3.8Å; P263-I269 HydrophobicContact CB-CG1 3.98Å; P263-I269 HydrophobicContact CG-CD1 3.67Å; P263-I269 HydrophobicContact CG-CG1 4.39Å; P263-I269 PolarHBondContact O-N 3.29Å; P263-I269 VanDerWaalsContact O-N 3.1Å; M264-I269 HydrophobicContact CG-CD1 3.86Å; I269-G271 WeakPolarHBondContact CG2-O 3.41Å; I269-A342 HydrophobicContact CD1-CB 4.14Å; I269-E344 VanDerWaalsContact CA-OE2 3.27Å; I269-E344 WeakPolarHBondContact CA-OE2 3.43Å; I269-E344 HydrophobicContact CB-CG 4.45Å; I269-E344 HydrophobicContact CG1-CG 4.2Å; I269-E344 WeakPolarHBondContact CG1-OE2 3.37Å; I269-E344 HydrophobicContact CG2-CG 3.71Å | ||
| 270 | E | 80.9 | Confident | 83.6 | Confident | 162 Ų | 162 | 54.6 Ų | 54.6 | 76% | 0.757 | 29% | 0.29 | S | S | * | . | trans | -82.1 | -33.8 | 176.7 | -63 | 177.7 | -178.3 | 0 | 0 | 112 | E344 | E270-E344 PolarHBondContact N-OE1 2.86Å; E270-E344 VanDerWaalsContact N-OE1 3.08Å | ||
| 271 | G | 81.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -71.4 | 140.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | R196 K198 I269 E344 | R196-G271 WeakPolarHBondContact O-CA 3.41Å; K198-G271 WeakPolarHBondContact CG-O 3.4Å; I269-G271 WeakPolarHBondContact CG2-O 3.41Å; G271-E344 PolarHBondContact N-OE1 2.89Å |
| 272 | V | 82.5 | Confident | 83.6 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -77.7 | 132.4 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | R196 L197 K198 K423 E424 | R196-V272 PolarHBondContact O-N 3.16Å; L197-V272 HydrophobicContact CD2-CB 4.34Å; L197-V272 WeakPolarHBondContact CD2-O 3.23Å; K198-V272 PolarHBondContact N-O 3.5Å; K198-V272 VanDerWaalsContact N-O 3.08Å; V272-K423 WeakPolarHBondContact CB-O 3.42Å; V272-K423 WeakPolarHBondContact CG1-O 3.23Å; V272-E424 HydrophobicContact CG1-CB 4.05Å |
| 273 | G | 80.6 | Confident | 83.8 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 165 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | K198 | K198-G273 VanDerWaalsContact CE-CA 3.48Å; K198-G273 VanDerWaalsContact CG-CA 3.43Å |
| 274 | P | 80.7 | Confident | 84.1 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.071 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -72 | 129.8 | -178.6 | 29.3 | -34.5 | 0 | 0 | 0 | 112.4 | C277 P425 | P274-C277 WeakPolarHBondContact CG-O 3.49Å; P274-P425 HydrophobicContact CB-CB 4.4Å; P274-P425 HydrophobicContact CB-CG 4.35Å |
| 275 | R | 78.3 | Confident | 84.5 | Confident | 154 Ų | 154 | 51.2 Ų | 51.2 | 58% | 0.581 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.9 | -35.4 | 175.7 | 176.5 | -177.3 | -61.8 | -166.8 | -2.7 | 114.7 | E424 | R275-E424 WeakPolarHBondContact CA-OE2 3.44Å; R275-E424 WeakPolarHBondContact CB-OE2 3.44Å; R275-E424 PolarHBondContact N-OE2 3.02Å; R275-E424 IonicContact NE-OE1 3.69Å |
| 276 | Y | 69.4 | Low | 84.8 | Confident | 136 Ų | 136 | 52.2 Ų | 52.2 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -87.7 | -18 | -172.4 | -67.1 | -78.4 | 0 | 0 | 0 | 114.2 | F429 | Y276-F429 HydrophobicContact CD1-CE2 4.36Å; Y276-F429 AromaticContact CD2-CE2 3.94Å; Y276-F429 HydrophobicContact CD2-CE2 3.94Å; Y276-F429 AromaticContact CG-CE2 3.83Å; Y276-F429 HydrophobicContact CG-CE2 3.83Å; Y276-F429 HydrophobicContact CG-CZ 4.07Å |
| 277 | C | 73.1 | Confident | 85.2 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -134.8 | 67 | 171.2 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | P274 R427 | P274-C277 WeakPolarHBondContact CG-O 3.49Å; C277-R427 VanDerWaalsContact CB-NH1 3.27Å; C277-R427 PolarHBondContact SG-NH1 2.98Å |
| 278 | P | 83.5 | Confident | 85.6 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | trans | -62.8 | 159.5 | 178.6 | 29 | -34.4 | 0 | 0 | 0 | 110.4 | D282 K283 | P278-D282 HydrophobicContact CB-CB 3.9Å; P278-D282 VanDerWaalsContact CB-OD2 3.29Å; P278-D282 WeakPolarHBondContact CB-OD2 3.18Å; P278-K283 HydrophobicContact CG-CB 3.98Å; P278-K283 HydrophobicContact CG-CG 4.3Å | ||
| 279 | S | 92 | Very high | 86 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | trans | -60.5 | 159.4 | 166.1 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | M264 E281 D282 K283 S313 | M264-S279 PolarHBondContact SD-OG 3.24Å; S279-E281 VanDerWaalsContact CB-CD 3.45Å; S279-E281 WeakPolarHBondContact CB-OE1 3.24Å; S279-E281 PolarHBondContact O-N 3.26Å; S279-E281 VanDerWaalsContact OG-CD 3.26Å; S279-E281 WeakPolarHBondContact OG-CG 3.32Å; S279-E281 PolarHBondContact OG-OE1 3Å; S279-D282 PolarHBondContact O-N 3.41Å; S279-K283 WeakPolarHBondContact O-CB 3.23Å; S279-K283 PolarHBondContact O-N 3.39Å; S279-S313 CarbonylContact C-O 3.58Å; S279-S313 WeakPolarHBondContact CA-O 3.48Å; S279-S313 VanDerWaalsContact CB-O 3.27Å; S279-S313 WeakPolarHBondContact CB-O 3.45Å | ||
| 280 | I | 94.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -36.3 | -177.7 | -168.6 | 60.2 | 0 | 0 | 0 | 111.6 | T247 I255 D282 K283 V284 I312 S313 | T247-I280 HydrophobicContact CG2-CD1 4.22Å; I255-I280 HydrophobicContact CD1-CB 4.49Å; I255-I280 HydrophobicContact CD1-CG1 3.74Å; I255-I280 HydrophobicContact CD1-CG2 4.13Å; I280-D282 VanDerWaalsContact C-N 3.34Å; I280-D282 PolarHBondContact O-N 3.16Å; I280-K283 HydrophobicContact CD1-CD 4.37Å; I280-K283 PolarHBondContact O-N 2.98Å; I280-V284 HydrophobicContact CD1-CG2 4.34Å; I280-V284 HydrophobicContact CG1-CG2 4.42Å; I280-V284 WeakPolarHBondContact O-CB 3.38Å; I280-V284 WeakPolarHBondContact O-CG2 3.25Å; I280-V284 PolarHBondContact O-N 2.89Å; I280-I312 HydrophobicContact CD1-CG2 4.49Å; I280-I312 HydrophobicContact CG1-CG2 4.33Å; I280-S313 PolarHBondContact N-O 3.04Å |
| 281 | E | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 173.6 | 59.3 | -89 | -158.3 | 0 | 0 | 112.8 | I255 L259 Y265 S279 M285 T314 S315 L316 | I255-E281 HydrophobicContact CG2-CB 3.91Å; L259-E281 HydrophobicContact CD2-CB 4.12Å; Y265-E281 HydrophobicContact CE2-CB 4.44Å; Y265-E281 HydrophobicContact CE2-CG 4.26Å; S279-E281 VanDerWaalsContact CB-CD 3.45Å; S279-E281 WeakPolarHBondContact CB-OE1 3.24Å; S279-E281 PolarHBondContact O-N 3.26Å; S279-E281 VanDerWaalsContact OG-CD 3.26Å; S279-E281 WeakPolarHBondContact OG-CG 3.32Å; S279-E281 PolarHBondContact OG-OE1 3Å; E281-M285 WeakPolarHBondContact O-CG 3.49Å; E281-M285 PolarHBondContact O-N 3.47Å; E281-T314 WeakPolarHBondContact OE2-CA 3.38Å; E281-T314 VanDerWaalsContact OE2-CB 3.28Å; E281-T314 WeakPolarHBondContact OE2-CB 3.15Å; E281-T314 PolarHBondContact OE2-OG1 2.86Å; E281-S315 PolarHBondContact OE1-N 2.78Å; E281-S315 PolarHBondContact OE1-OG 2.71Å; E281-L316 HydrophobicContact CB-CD1 4.25Å |
| 282 | D | 91.7 | Very high | 87.8 | Confident | 18 Ų | 18 | 66 Ų | 66 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.2 | -33.6 | 177.3 | -175.8 | 32.3 | 0 | 0 | 0 | 112 | M264 Y265 P278 S279 I280 M285 R286 | M264-D282 HydrophobicContact CE-CB 3.81Å; Y265-D282 WeakPolarHBondContact OH-CA 3.42Å; P278-D282 HydrophobicContact CB-CB 3.9Å; P278-D282 VanDerWaalsContact CB-OD2 3.29Å; P278-D282 WeakPolarHBondContact CB-OD2 3.18Å; S279-D282 PolarHBondContact O-N 3.41Å; I280-D282 VanDerWaalsContact C-N 3.34Å; I280-D282 PolarHBondContact O-N 3.16Å; D282-M285 PolarHBondContact O-N 3.32Å; D282-R286 VanDerWaalsContact CG-NE 3.26Å; D282-R286 WeakPolarHBondContact O-CB 3.49Å; D282-R286 VanDerWaalsContact O-CG 3.27Å; D282-R286 WeakPolarHBondContact O-CG 3.44Å; D282-R286 PolarHBondContact O-N 3.23Å; D282-R286 IonicContact OD1-CZ 2.72Å; D282-R286 IonicContact OD1-NE 2.72Å; D282-R286 PolarHBondContact OD1-NE 2.94Å; D282-R286 IonicContact OD1-NH2 2.86Å; D282-R286 PolarHBondContact OD1-NH2 3.45Å; D282-R286 IonicContact OD2-CZ 2.9Å; D282-R286 IonicContact OD2-NE 3.17Å; D282-R286 PolarHBondContact OD2-NE 3.39Å; D282-R286 VanDerWaalsContact OD2-NE 3.16Å; D282-R286 IonicContact OD2-NH2 2.96Å; D282-R286 PolarHBondContact OD2-NH2 2.88Å |
| 283 | K | 92.9 | Very high | 88.5 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 23% | 0.226 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.7 | -165.1 | -179.7 | -179.8 | 178.1 | 0 | 111.8 | P278 S279 I280 M285 R286 F287 | P278-K283 HydrophobicContact CG-CB 3.98Å; P278-K283 HydrophobicContact CG-CG 4.3Å; S279-K283 WeakPolarHBondContact O-CB 3.23Å; S279-K283 PolarHBondContact O-N 3.39Å; I280-K283 HydrophobicContact CD1-CD 4.37Å; I280-K283 PolarHBondContact O-N 2.98Å; K283-M285 VanDerWaalsContact C-N 3.31Å; K283-M285 PolarHBondContact O-N 2.87Å; K283-R286 PolarHBondContact O-N 3.26Å; K283-F287 HydrophobicContact CG-CD2 3.98Å; K283-F287 HydrophobicContact CG-CE2 4.47Å; K283-F287 WeakPolarHBondContact O-CD2 3.37Å; K283-F287 PolarHBondContact O-N 3.2Å |
| 284 | V | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 178.5 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | H252 I255 I280 A288 | H252-V284 HydrophobicContact CB-CG1 3.91Å; I255-V284 HydrophobicContact CD1-CG2 3.89Å; I255-V284 HydrophobicContact CG2-CB 4.42Å; I255-V284 HydrophobicContact CG2-CG1 4.47Å; I280-V284 HydrophobicContact CD1-CG2 4.34Å; I280-V284 HydrophobicContact CG1-CG2 4.42Å; I280-V284 WeakPolarHBondContact O-CB 3.38Å; I280-V284 WeakPolarHBondContact O-CG2 3.25Å; I280-V284 PolarHBondContact O-N 2.89Å; V284-A288 WeakPolarHBondContact O-CA 3.46Å; V284-A288 PolarHBondContact O-N 2.98Å |
| 285 | M | 92.3 | Very high | 90.1 | Very high | 81 Ų | 81 | 65.9 Ų | 65.9 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.4 | -37 | 178 | -68.5 | -53.7 | -68.4 | 0 | 0 | 113.4 | R256 L259 Y265 E281 D282 K283 | R256-M285 HydrophobicContact CG-SD 4.46Å; L259-M285 HydrophobicContact CD1-CE 4Å; L259-M285 HydrophobicContact CD1-CG 3.94Å; L259-M285 HydrophobicContact CD1-SD 3.45Å; L259-M285 WeakPolarHBondContact CD1-SD 3.23Å; L259-M285 HydrophobicContact CD2-CG 4.17Å; Y265-M285 WeakPolarHBondContact OH-CB 3.38Å; Y265-M285 WeakPolarHBondContact OH-CG 3.5Å; E281-M285 WeakPolarHBondContact O-CG 3.49Å; E281-M285 PolarHBondContact O-N 3.47Å; D282-M285 PolarHBondContact O-N 3.32Å; K283-M285 VanDerWaalsContact C-N 3.31Å; K283-M285 PolarHBondContact O-N 2.87Å |
| 286 | R | 90.2 | Very high | 91 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.2 | -30.4 | 178.3 | -71.1 | 179.9 | -168 | -162.2 | 5.5 | 113.7 | D282 K283 | D282-R286 VanDerWaalsContact CG-NE 3.26Å; D282-R286 WeakPolarHBondContact O-CB 3.49Å; D282-R286 VanDerWaalsContact O-CG 3.27Å; D282-R286 WeakPolarHBondContact O-CG 3.44Å; D282-R286 PolarHBondContact O-N 3.23Å; D282-R286 IonicContact OD1-CZ 2.72Å; D282-R286 IonicContact OD1-NE 2.72Å; D282-R286 PolarHBondContact OD1-NE 2.94Å; D282-R286 IonicContact OD1-NH2 2.86Å; D282-R286 PolarHBondContact OD1-NH2 3.45Å; D282-R286 IonicContact OD2-CZ 2.9Å; D282-R286 IonicContact OD2-NE 3.17Å; D282-R286 PolarHBondContact OD2-NE 3.39Å; D282-R286 VanDerWaalsContact OD2-NE 3.16Å; D282-R286 IonicContact OD2-NH2 2.96Å; D282-R286 PolarHBondContact OD2-NH2 2.88Å; K283-R286 PolarHBondContact O-N 3.26Å |
| 287 | F | 91.5 | Very high | 92.4 | Very high | 91 Ų | 91 | 54.4 Ų | 54.4 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 51.8 | -177.2 | -56.6 | -70.7 | 0 | 0 | 0 | 110.7 | K283 D289 R290 | K283-F287 HydrophobicContact CG-CD2 3.98Å; K283-F287 HydrophobicContact CG-CE2 4.47Å; K283-F287 WeakPolarHBondContact O-CD2 3.37Å; K283-F287 PolarHBondContact O-N 3.2Å; F287-D289 VanDerWaalsContact C-OD1 3.28Å; F287-D289 WeakPolarHBondContact CA-OD1 3.31Å; F287-D289 PolarHBondContact O-N 3.4Å; F287-D289 VanDerWaalsContact O-N 3.11Å; F287-R290 HydrophobicContact CB-CG 4.31Å; F287-R290 PolarHBondContact O-N 3.47Å |
| 288 | A | 90 | Very high | 93.6 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 51% | 0.512 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V284 R290 | V284-A288 WeakPolarHBondContact O-CA 3.46Å; V284-A288 PolarHBondContact O-N 2.98Å; A288-R290 VanDerWaalsContact C-N 3.3Å |
| 289 | D | 92.9 | Very high | 94.4 | Very high | 126 Ų | 126 | 51.5 Ų | 51.5 | 67% | 0.674 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13.8 | 174.8 | 61.9 | -58.9 | 0 | 0 | 0 | 113.9 | F287 | F287-D289 VanDerWaalsContact C-OD1 3.28Å; F287-D289 WeakPolarHBondContact CA-OD1 3.31Å; F287-D289 PolarHBondContact O-N 3.4Å; F287-D289 VanDerWaalsContact O-N 3.11Å |
| 290 | R | 91.9 | Very high | 94.7 | Very high | 141 Ų | 141 | 51.4 Ų | 51.4 | 53% | 0.532 | 25% | 0.248 | S | C | . | . | trans | -96.5 | 119.8 | -179 | -63.7 | -169.2 | 176.8 | -148.9 | 1.1 | 111.1 | H252 F287 A288 Q292 | H252-R290 PolarHBondContact CE1-O 3.36Å; H252-R290 PolarHBondContact ND1-O 3.31Å; F287-R290 HydrophobicContact CB-CG 4.31Å; F287-R290 PolarHBondContact O-N 3.47Å; A288-R290 VanDerWaalsContact C-N 3.3Å; R290-Q292 VanDerWaalsContact C-N 3.26Å; R290-Q292 PolarHBondContact O-N 3.25Å | ||
| 291 | N | 93.4 | Very high | 94.8 | Very high | 97 Ų | 97 | 51.8 Ų | 51.8 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -78.1 | -10.3 | 178.4 | -60.4 | 2.9 | 0 | 0 | 0 | 113.7 | N248 E249 H252 | N248-N291 CarbonylContact C-O 3.56Å; N248-N291 WeakPolarHBondContact CA-O 3.22Å; E249-N291 HydrophobicContact CG-CB 4.05Å; E249-N291 PolarHBondContact N-O 2.88Å; E249-N291 PolarHBondContact OE1-ND2 3.14Å; E249-N291 VanDerWaalsContact OE1-ND2 3.11Å; H252-N291 VanDerWaalsContact CE1-C 3.5Å; H252-N291 PolarHBondContact CE1-O 3.02Å |
| 292 | Q | 95.6 | Very high | 95 | Very high | 118 Ų | 118 | 54.8 Ų | 54.8 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | trans | -150 | 153.7 | 178 | 60.5 | 176.9 | 4.5 | 0 | 0 | 112.5 | H246 T247 R290 | H246-Q292 HydrophobicContact CB-CB 4.45Å; T247-Q292 WeakPolarHBondContact O-CA 3.39Å; T247-Q292 WeakPolarHBondContact O-CB 3.49Å; R290-Q292 VanDerWaalsContact C-N 3.26Å; R290-Q292 PolarHBondContact O-N 3.25Å | ||
| 293 | H | 96.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -130.9 | 129.3 | 169.8 | -59 | -49.7 | 0 | 0 | 0 | 109.6 | H246 T247 H252 | H246-H293 WeakPolarHBondContact CA-O 3.36Å; T247-H293 PolarHBondContact N-O 3.19Å; T247-H293 WeakPolarHBondContact OG1-CB 3.43Å; T247-H293 PolarHBondContact OG1-N 3.02Å; T247-H293 PolarHBondContact OG1-O 2.92Å; H252-H293 AromaticContact NE2-CD2 3.8Å | ||
| 294 | Q | 97.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 135 | 176 | -172.9 | 178.1 | -43.1 | 0 | 0 | 111.4 | I244 F296 | I244-Q294 HydrophobicContact CG2-CG 3.65Å; Q294-F296 HydrophobicContact CG-CE2 4.49Å |
| 295 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.7 | 179 | -56.6 | -54.8 | 0 | 0 | 0 | 108.5 | T245 T247 L297 P309 N310 I312 M328 | T245-I295 HydrophobicContact CG2-CB 3.92Å; T245-I295 HydrophobicContact CG2-CG2 4.16Å; T245-I295 PolarHBondContact N-O 2.83Å; T245-I295 PolarHBondContact O-N 2.66Å; T245-I295 VanDerWaalsContact O-O 3.08Å; T247-I295 HydrophobicContact CG2-CD1 4.16Å; T247-I295 HydrophobicContact CG2-CG1 4.02Å; I295-L297 HydrophobicContact CG2-CD2 4.23Å; I295-P309 HydrophobicContact CG2-CB 4.18Å; I295-N310 WeakPolarHBondContact CA-O 3.43Å; I295-I312 HydrophobicContact CD1-CG2 3.47Å; I295-I312 VanDerWaalsContact CD1-CG2 3.47Å; I295-I312 HydrophobicContact CG1-CG2 3.93Å; I295-M328 HydrophobicContact CG1-SD 3.91Å |
| 296 | F | 98.2 | Very high | 96 | Very high | 48 Ų | 48 | 61 Ų | 61 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.9 | 171.9 | -70.3 | -89.4 | 0 | 0 | 0 | 109.6 | Y243 I244 Q294 E298 P309 N310 | Y243-F296 CarbonylContact O-C 3.54Å; Y243-F296 WeakPolarHBondContact O-CA 3.41Å; I244-F296 HydrophobicContact CD1-CD1 4.47Å; I244-F296 HydrophobicContact CD1-CE1 3.88Å; I244-F296 HydrophobicContact CG1-CD1 3.91Å; I244-F296 HydrophobicContact CG1-CE1 3.83Å; Q294-F296 HydrophobicContact CG-CE2 4.49Å; F296-E298 HydrophobicContact CB-CG 3.99Å; F296-P309 CarbonylContact O-C 3.45Å; F296-P309 WeakPolarHBondContact O-CA 3.49Å; F296-N310 HydrophobicContact CB-CB 4.2Å; F296-N310 PolarHBondContact N-O 2.75Å; F296-N310 VanDerWaalsContact N-O 3.09Å; F296-N310 PolarHBondContact O-N 3.46Å |
| 297 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 104 | 170.9 | -55.6 | -175.9 | 0 | 0 | 0 | 107.6 | I210 L215 Y243 T245 I295 I307 P309 M331 | I210-L297 HydrophobicContact CD1-CD1 4.42Å; I210-L297 HydrophobicContact CG2-CD1 4.43Å; L215-L297 HydrophobicContact CD1-CD1 3.47Å; L215-L297 VanDerWaalsContact CD1-CD1 3.47Å; Y243-L297 PolarHBondContact N-O 3.26Å; Y243-L297 PolarHBondContact O-N 3.27Å; T245-L297 HydrophobicContact CG2-CD1 4.3Å; T245-L297 HydrophobicContact CG2-CD2 4.12Å; T245-L297 HydrophobicContact CG2-CG 4.16Å; I295-L297 HydrophobicContact CG2-CD2 4.23Å; L297-I307 HydrophobicContact CB-CG2 3.75Å; L297-I307 HydrophobicContact CD2-CG2 4.3Å; L297-P309 HydrophobicContact CD2-CB 3.79Å; L297-M331 HydrophobicContact CD1-CE 3.56Å; L297-M331 HydrophobicContact CD1-SD 4.03Å; L297-M331 HydrophobicContact CD2-SD 4.33Å |
| 298 | E | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.2 | -171.9 | -57.1 | 179.8 | 145.2 | 0 | 0 | 109.2 | N48 P49 R96 Q98 F296 E300 Y308 N310 | N48-E298 VanDerWaalsContact CG-OE2 3.24Å; N48-E298 PolarHBondContact ND2-OE2 3.4Å; N48-E298 PolarHBondContact OD1-OE2 2.8Å; N48-E298 VanDerWaalsContact OD1-OE2 3.07Å; P49-E298 HydrophobicContact CG-CB 4.09Å; R96-E298 IonicContact CZ-OE1 3.61Å; R96-E298 IonicContact NH1-OE1 3.68Å; R96-E298 IonicContact NH2-OE1 2.77Å; R96-E298 PolarHBondContact NH2-OE1 2.94Å; R96-E298 IonicContact NH2-OE2 3.16Å; Q98-E298 PolarHBondContact NE2-OE1 2.91Å; F296-E298 HydrophobicContact CB-CG 3.99Å; E298-E300 PolarHBondContact O-N 3.27Å; E298-Y308 PolarHBondContact N-O 2.87Å; E298-Y308 PolarHBondContact O-N 3.35Å; E298-N310 HydrophobicContact CG-CB 4.25Å; E298-N310 PolarHBondContact OE1-ND2 3.15Å; E298-N310 WeakPolarHBondContact OE2-CB 3.47Å |
| 299 | P | 98.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 133.5 | 172.9 | -24 | 35 | 0 | 0 | 0 | 111.5 | I79 V240 G301 I307 | I79-P299 HydrophobicContact CD1-CB 4.16Å; V240-P299 HydrophobicContact CG2-CB 4.32Å; V240-P299 HydrophobicContact CG2-CG 3.99Å; P299-G301 VanDerWaalsContact C-N 3.31Å; P299-I307 HydrophobicContact CB-CD1 4.42Å; P299-I307 HydrophobicContact CG-CD1 4.47Å |
| 300 | E | 98.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -80.4 | -10.3 | 175.2 | -73.5 | -144.3 | -178.1 | 0 | 0 | 113.5 | P49 R101 R204 E298 E306 | P49-E300 HydrophobicContact CB-CG 4.4Å; P49-E300 HydrophobicContact CG-CG 4.27Å; R101-E300 WeakPolarHBondContact CD-OE2 3.29Å; R101-E300 IonicContact CZ-OE1 3.75Å; R101-E300 IonicContact CZ-OE2 2.68Å; R101-E300 VanDerWaalsContact CZ-OE2 3.31Å; R101-E300 PolarHBondContact N-O 2.98Å; R101-E300 IonicContact NE-OE2 3.02Å; R101-E300 PolarHBondContact NE-OE2 3.36Å; R101-E300 VanDerWaalsContact NH1-CD 3.35Å; R101-E300 IonicContact NH1-OE1 2.81Å; R101-E300 PolarHBondContact NH1-OE1 3.27Å; R101-E300 IonicContact NH1-OE2 3.36Å; R101-E300 PolarHBondContact NH1-OE2 3.03Å; R204-E300 IonicContact NE-OE1 2.61Å; E298-E300 PolarHBondContact O-N 3.27Å; E300-E306 HydrophobicContact CB-CB 4.34Å; E300-E306 WeakPolarHBondContact CB-O 3.45Å; E300-E306 HydrophobicContact CG-CB 4.38Å; E300-E306 PolarHBondContact N-O 2.86Å; E300-E306 VanDerWaalsContact N-O 3.14Å |
| 301 | G | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | 170.2 | 170.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D100 P299 T303 | D100-G301 VanDerWaalsContact CG-CA 3.48Å; D100-G301 WeakPolarHBondContact OD2-CA 3.45Å; P299-G301 VanDerWaalsContact C-N 3.31Å; G301-T303 VanDerWaalsContact C-N 3.29Å; G301-T303 PolarHBondContact O-N 3.3Å | ||
| 302 | L | 98.2 | Very high | 97.6 | Very high | 64 Ų | 64 | 34.8 Ų | 34.8 | 34% | 0.335 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.6 | 178.9 | -63.4 | 174.7 | 0 | 0 | 0 | 112.5 | I79 D100 L103 P237 Q238 V240 | I79-L302 HydrophobicContact CB-CD2 4.37Å; I79-L302 HydrophobicContact CG2-CD1 4.07Å; I79-L302 HydrophobicContact CG2-CD2 3.93Å; I79-L302 HydrophobicContact CG2-CG 3.74Å; D100-L302 PolarHBondContact OD2-N 2.97Å; L103-L302 HydrophobicContact CD1-CD1 4.42Å; P237-L302 HydrophobicContact CB-CD1 3.92Å; Q238-L302 HydrophobicContact CB-CD1 4.11Å; Q238-L302 HydrophobicContact CB-CD2 4.22Å; V240-L302 HydrophobicContact CG1-CD2 3.67Å |
| 303 | T | 97.8 | Very high | 97.6 | Very high | 121 Ų | 121 | 30.2 Ų | 30.2 | 74% | 0.742 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 11.1 | -175.2 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | G301 | G301-T303 VanDerWaalsContact C-N 3.29Å; G301-T303 PolarHBondContact O-N 3.3Å |
| 304 | S | 97 | Very high | 97.6 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 30% | 0.301 | 17% | 0.171 | S | C | . | . | trans | -117.5 | 144 | 179.6 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | E306 | S304-E306 WeakPolarHBondContact OG-CB 3.31Å; S304-E306 PolarHBondContact OG-N 2.88Å | ||
| 305 | N | 98.1 | Very high | 97.5 | Very high | 90 Ų | 90 | 25.9 Ų | 25.9 | 48% | 0.481 | 15% | 0.152 | S | C | . | . | trans | -93.8 | 6.3 | 168.2 | -71.4 | -49.7 | 0 | 0 | 0 | 112.1 | A207 | A207-N305 HydrophobicContact CB-CB 4.34Å; A207-N305 VanDerWaalsContact CB-O 3.29Å; A207-N305 WeakPolarHBondContact CB-O 3.44Å; A207-N305 PolarHBondContact N-O 3.29Å | ||
| 306 | E | 98.5 | Very high | 97.4 | Very high | 26 Ų | 26 | 25.9 Ų | 25.9 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.1 | 175 | -64.4 | -170.7 | -156.5 | 0 | 0 | 110.7 | E300 S304 V337 R338 | E300-E306 HydrophobicContact CB-CB 4.34Å; E300-E306 WeakPolarHBondContact CB-O 3.45Å; E300-E306 HydrophobicContact CG-CB 4.38Å; E300-E306 PolarHBondContact N-O 2.86Å; E300-E306 VanDerWaalsContact N-O 3.14Å; S304-E306 WeakPolarHBondContact OG-CB 3.31Å; S304-E306 PolarHBondContact OG-N 2.88Å; E306-V337 HydrophobicContact CG-CB 4.47Å; E306-V337 HydrophobicContact CG-CG1 4.2Å; E306-R338 IonicContact OE1-CZ 3.51Å; E306-R338 VanDerWaalsContact OE1-CZ 3.27Å; E306-R338 IonicContact OE1-NE 3.33Å; E306-R338 PolarHBondContact OE1-NE 2.71Å; E306-R338 IonicContact OE1-NH2 3.25Å; E306-R338 PolarHBondContact OE1-NH2 2.82Å; E306-R338 IonicContact OE2-CZ 2.9Å; E306-R338 IonicContact OE2-NE 3.31Å; E306-R338 PolarHBondContact OE2-NE 2.78Å; E306-R338 VanDerWaalsContact OE2-NE 3.13Å; E306-R338 IonicContact OE2-NH2 3.89Å |
| 307 | I | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 24.2 Ų | 24.2 | 5% | 0.046 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.3 | 172.6 | -63.1 | -57.3 | 0 | 0 | 0 | 109.2 | I205 A207 I210 F212 L297 P299 P309 | I205-I307 HydrophobicContact CB-CB 4.42Å; I205-I307 PolarHBondContact N-O 3.34Å; I205-I307 PolarHBondContact O-N 3.12Å; A207-I307 HydrophobicContact CB-CD1 4.13Å; A207-I307 HydrophobicContact CB-CG1 3.78Å; I210-I307 HydrophobicContact CD1-CB 4.11Å; I210-I307 HydrophobicContact CD1-CG1 3.93Å; I210-I307 HydrophobicContact CD1-CG2 4.14Å; F212-I307 HydrophobicContact CZ-CD1 4.26Å; F212-I307 HydrophobicContact CZ-CG1 4.18Å; L297-I307 HydrophobicContact CB-CG2 3.75Å; L297-I307 HydrophobicContact CD2-CG2 4.3Å; P299-I307 HydrophobicContact CB-CD1 4.42Å; P299-I307 HydrophobicContact CG-CD1 4.47Å; I307-P309 WeakPolarHBondContact O-CD 3.37Å |
| 308 | Y | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.4 | 173.6 | -173.4 | -90 | 0 | 0 | 0 | 110.2 | C47 N48 P49 P202 E298 N310 | C47-Y308 VanDerWaalsContact C-CE2 3.45Å; C47-Y308 VanDerWaalsContact O-CD2 3.28Å; C47-Y308 WeakPolarHBondContact O-CD2 3.31Å; C47-Y308 WeakPolarHBondContact O-CE2 3.34Å; C47-Y308 PolarHBondContact SG-OH 3.16Å; N48-Y308 HydrophobicContact CB-CE1 3.91Å; P49-Y308 VanDerWaalsContact CD-CG 3.45Å; P49-Y308 HydrophobicContact CG-CG 4.26Å; P202-Y308 WeakPolarHBondContact CD-OH 3.26Å; P202-Y308 HydrophobicContact CG-CD1 4.28Å; P202-Y308 HydrophobicContact CG-CD2 3.75Å; P202-Y308 HydrophobicContact CG-CE1 3.82Å; P202-Y308 HydrophobicContact CG-CE2 3.19Å; P202-Y308 HydrophobicContact CG-CG 4.26Å; E298-Y308 PolarHBondContact N-O 2.87Å; E298-Y308 PolarHBondContact O-N 3.35Å; Y308-N310 HydrophobicContact CD1-CB 3.82Å; Y308-N310 HydrophobicContact CE1-CB 3.76Å; Y308-N310 PolarHBondContact O-N 2.72Å |
| 309 | P | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 82.5 | 179.1 | 34.9 | -34 | 0 | 0 | 0 | 110 | P202 P203 I205 I295 F296 L297 I307 G311 I312 | P202-P309 HydrophobicContact CB-CG 3.98Å; P202-P309 HydrophobicContact CG-CG 4.48Å; P203-P309 WeakPolarHBondContact O-CD 3.25Å; P203-P309 WeakPolarHBondContact O-CG 3.35Å; I205-P309 HydrophobicContact CG1-CG 3.96Å; I295-P309 HydrophobicContact CG2-CB 4.18Å; F296-P309 CarbonylContact O-C 3.45Å; F296-P309 WeakPolarHBondContact O-CA 3.49Å; L297-P309 HydrophobicContact CD2-CB 3.79Å; I307-P309 WeakPolarHBondContact O-CD 3.37Å; P309-G311 PolarHBondContact O-N 3.05Å; P309-I312 HydrophobicContact CB-CD1 3.82Å; P309-I312 HydrophobicContact CB-CG1 3.77Å; P309-I312 HydrophobicContact CG-CD1 3.6Å; P309-I312 HydrophobicContact CG-CG1 3.67Å; P309-I312 VanDerWaalsContact O-CG1 3.24Å; P309-I312 WeakPolarHBondContact O-CG1 3.34Å; P309-I312 PolarHBondContact O-N 3.4Å |
| 310 | N | 97 | Very high | 97.3 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 117.7 | -178.7 | -177.3 | 16.5 | 0 | 0 | 0 | 111.5 | N48 I295 F296 E298 Y308 | N48-N310 PolarHBondContact ND2-ND2 3.05Å; N48-N310 VanDerWaalsContact ND2-ND2 3.17Å; I295-N310 WeakPolarHBondContact CA-O 3.43Å; F296-N310 HydrophobicContact CB-CB 4.2Å; F296-N310 PolarHBondContact N-O 2.75Å; F296-N310 VanDerWaalsContact N-O 3.09Å; F296-N310 PolarHBondContact O-N 3.46Å; E298-N310 HydrophobicContact CG-CB 4.25Å; E298-N310 PolarHBondContact OE1-ND2 3.15Å; E298-N310 WeakPolarHBondContact OE2-CB 3.47Å; Y308-N310 HydrophobicContact CD1-CB 3.82Å; Y308-N310 HydrophobicContact CE1-CB 3.76Å; Y308-N310 PolarHBondContact O-N 2.72Å |
| 311 | G | 94.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 119 | -11.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P309 | P309-G311 PolarHBondContact O-N 3.05Š|
| 312 | I | 96.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -110.6 | 31.7 | 175.3 | 64.7 | 159.4 | 0 | 0 | 0 | 114.4 | P202 P203 T247 I280 I295 P309 T314 V325 M328 | P202-I312 HydrophobicContact CB-CG1 4.03Å; P203-I312 HydrophobicContact CG-CD1 3.96Å; T247-I312 HydrophobicContact CG2-CG2 4.27Å; I280-I312 HydrophobicContact CD1-CG2 4.49Å; I280-I312 HydrophobicContact CG1-CG2 4.33Å; I295-I312 HydrophobicContact CD1-CG2 3.47Å; I295-I312 VanDerWaalsContact CD1-CG2 3.47Å; I295-I312 HydrophobicContact CG1-CG2 3.93Å; P309-I312 HydrophobicContact CB-CD1 3.82Å; P309-I312 HydrophobicContact CB-CG1 3.77Å; P309-I312 HydrophobicContact CG-CD1 3.6Å; P309-I312 HydrophobicContact CG-CG1 3.67Å; P309-I312 VanDerWaalsContact O-CG1 3.24Å; P309-I312 WeakPolarHBondContact O-CG1 3.34Å; P309-I312 PolarHBondContact O-N 3.4Å; I312-T314 PolarHBondContact O-N 3.48Å; I312-V325 HydrophobicContact CD1-CG2 3.96Å; I312-M328 HydrophobicContact CD1-CE 3.81Å; I312-M328 HydrophobicContact CG2-CE 4.21Å; I312-M328 HydrophobicContact CG2-SD 4.16Å | ||
| 313 | S | 95.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | trans | -53.2 | 132.3 | 170.6 | -65 | 0 | 0 | 0 | 0 | 110.1 | G200 P202 S279 I280 | G200-S313 PolarHBondContact O-OG 3.13Å; P202-S313 WeakPolarHBondContact CD-OG 3.16Å; S279-S313 CarbonylContact C-O 3.58Å; S279-S313 WeakPolarHBondContact CA-O 3.48Å; S279-S313 VanDerWaalsContact CB-O 3.27Å; S279-S313 WeakPolarHBondContact CB-O 3.45Å; I280-S313 PolarHBondContact N-O 3.04Å | ||
| 314 | T | 95.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | trans | -152.7 | 157.8 | -172.5 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | E281 I312 L316 Q321 G340 Y341 | E281-T314 WeakPolarHBondContact OE2-CA 3.38Å; E281-T314 VanDerWaalsContact OE2-CB 3.28Å; E281-T314 WeakPolarHBondContact OE2-CB 3.15Å; E281-T314 PolarHBondContact OE2-OG1 2.86Å; I312-T314 PolarHBondContact O-N 3.48Å; T314-L316 PolarHBondContact OG1-N 2.93Å; T314-Q321 HydrophobicContact CG2-CG 3.74Å; T314-G340 CarbonylContact O-C 3.53Å; T314-Y341 CarbonylContact O-C 3.54Å; T314-Y341 WeakPolarHBondContact O-CA 3.35Å; T314-Y341 PolarHBondContact O-N 3.37Å | ||
| 315 | S | 95.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | trans | -116 | 4.9 | 171.2 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | G166 S262 P263 E281 | G166-S315 WeakPolarHBondContact CA-O 3.47Å; G166-S315 PolarHBondContact N-O 3.31Å; S262-S315 PolarHBondContact OG-OG 3.44Å; P263-S315 VanDerWaalsContact CD-O 3.29Å; P263-S315 WeakPolarHBondContact CD-O 3.49Å; P263-S315 WeakPolarHBondContact CD-OG 3.41Å; E281-S315 PolarHBondContact OE1-N 2.78Å; E281-S315 PolarHBondContact OE1-OG 2.71Å | ||
| 316 | L | 96.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -65.9 | 158.6 | -179 | -75.1 | 166.7 | 0 | 0 | 0 | 112.3 | I255 N258 E281 T314 V320 Q321 I324 | I255-L316 HydrophobicContact CG1-CD1 4.32Å; N258-L316 HydrophobicContact CB-CD2 4.42Å; N258-L316 VanDerWaalsContact O-CD2 3.31Å; N258-L316 WeakPolarHBondContact O-CD2 3.27Å; E281-L316 HydrophobicContact CB-CD1 4.25Å; T314-L316 PolarHBondContact OG1-N 2.93Å; L316-V320 HydrophobicContact CB-CB 4.27Å; L316-V320 HydrophobicContact CB-CG1 4.2Å; L316-V320 HydrophobicContact CD1-CG1 3.91Å; L316-V320 HydrophobicContact CD2-CG1 4.5Å; L316-V320 HydrophobicContact CG-CG1 4.44Å; L316-Q321 PolarHBondContact O-NE2 2.88Å; L316-I324 HydrophobicContact CD1-CD1 3.61Å |
| 317 | P | 97 | Very high | 97.4 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | trans | -57.4 | 150.9 | 175.1 | -25 | 34.7 | 0 | 0 | 0 | 113.4 | R261 D319 V320 Q321 | R261-P317 HydrophobicContact CB-CG 3.75Å; R261-P317 VanDerWaalsContact NH2-CB 3.28Å; P317-D319 VanDerWaalsContact C-N 3.32Å; P317-D319 WeakPolarHBondContact CB-OD1 3.14Å; P317-D319 PolarHBondContact O-N 3.29Å; P317-V320 HydrophobicContact CB-CG2 4.3Å; P317-V320 HydrophobicContact CG-CG2 4.42Å; P317-V320 WeakPolarHBondContact O-CB 3.3Å; P317-V320 PolarHBondContact O-N 2.81Å; P317-Q321 WeakPolarHBondContact O-CG 3.29Å; P317-Q321 PolarHBondContact O-N 3.17Å | ||
| 318 | F | 97.4 | Very high | 97.4 | Very high | 97 Ų | 97 | 25.8 Ų | 25.8 | 43% | 0.425 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -56.8 | -39.2 | -174.3 | 177.8 | -105 | 0 | 0 | 0 | 114.3 | V320 Q321 M322 I336 P339 | F318-V320 VanDerWaalsContact C-N 3.3Å; F318-V320 PolarHBondContact O-N 2.67Å; F318-Q321 WeakPolarHBondContact O-CB 3.43Å; F318-Q321 PolarHBondContact O-N 2.88Å; F318-M322 HydrophobicContact CE1-CE 4.2Å; F318-M322 HydrophobicContact CE2-CE 4.38Å; F318-M322 HydrophobicContact CZ-CE 3.71Å; F318-M322 PolarHBondContact O-N 3.1Å; F318-I336 HydrophobicContact CE2-CB 3.84Å; F318-I336 HydrophobicContact CE2-CD1 4.06Å; F318-I336 HydrophobicContact CE2-CG2 3.75Å; F318-I336 HydrophobicContact CZ-CB 4.29Å; F318-P339 HydrophobicContact CD2-CB 4.03Å |
| 319 | D | 97.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 30.4 Ų | 30.4 | 39% | 0.39 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.3 | -40 | 176.2 | 57.6 | -58.3 | 0 | 0 | 0 | 111.9 | R261 P317 M322 Q323 | R261-D319 IonicContact CZ-OD1 2.95Å; R261-D319 IonicContact CZ-OD2 3.81Å; R261-D319 IonicContact NH1-OD1 2.81Å; R261-D319 IonicContact NH1-OD2 3.46Å; R261-D319 PolarHBondContact NH1-OD2 3.44Å; R261-D319 VanDerWaalsContact NH2-CG 3.32Å; R261-D319 IonicContact NH2-OD1 3.2Å; R261-D319 PolarHBondContact NH2-OD1 3.1Å; R261-D319 IonicContact NH2-OD2 2.67Å; R261-D319 PolarHBondContact NH2-OD2 3.27Å; P317-D319 VanDerWaalsContact C-N 3.32Å; P317-D319 WeakPolarHBondContact CB-OD1 3.14Å; P317-D319 PolarHBondContact O-N 3.29Å; D319-M322 PolarHBondContact O-N 3.32Å; D319-Q323 WeakPolarHBondContact O-CG 3.46Å; D319-Q323 PolarHBondContact O-N 3.4Å |
| 320 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71 | -41.2 | 176 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | V254 N258 L316 P317 F318 M322 Q323 I324 | V254-V320 HydrophobicContact CG1-CG1 3.97Å; N258-V320 HydrophobicContact CB-CG1 3.83Å; N258-V320 HydrophobicContact CB-CG2 3.84Å; N258-V320 VanDerWaalsContact CG-CG2 3.49Å; N258-V320 VanDerWaalsContact OD1-CG2 3.3Å; N258-V320 WeakPolarHBondContact OD1-CG2 3.49Å; L316-V320 HydrophobicContact CB-CB 4.27Å; L316-V320 HydrophobicContact CB-CG1 4.2Å; L316-V320 HydrophobicContact CD1-CG1 3.91Å; L316-V320 HydrophobicContact CD2-CG1 4.5Å; L316-V320 HydrophobicContact CG-CG1 4.44Å; P317-V320 HydrophobicContact CB-CG2 4.3Å; P317-V320 HydrophobicContact CG-CG2 4.42Å; P317-V320 WeakPolarHBondContact O-CB 3.3Å; P317-V320 PolarHBondContact O-N 2.81Å; F318-V320 VanDerWaalsContact C-N 3.3Å; F318-V320 PolarHBondContact O-N 2.67Å; V320-M322 VanDerWaalsContact C-N 3.27Å; V320-M322 PolarHBondContact O-N 2.64Å; V320-Q323 WeakPolarHBondContact O-CB 3.35Å; V320-Q323 PolarHBondContact O-N 3.41Å; V320-Q323 VanDerWaalsContact O-N 3.1Å; V320-I324 HydrophobicContact CG1-CD1 4.06Å; V320-I324 HydrophobicContact CG1-CG1 4.42Å; V320-I324 WeakPolarHBondContact O-CG1 3.02Å; V320-I324 PolarHBondContact O-N 3.32Å |
| 321 | Q | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 175.2 | -61.9 | -176.7 | 27.1 | 0 | 0 | 111.7 | T314 L316 P317 F318 Q323 I324 V325 I336 G340 | T314-Q321 HydrophobicContact CG2-CG 3.74Å; L316-Q321 PolarHBondContact O-NE2 2.88Å; P317-Q321 WeakPolarHBondContact O-CG 3.29Å; P317-Q321 PolarHBondContact O-N 3.17Å; F318-Q321 WeakPolarHBondContact O-CB 3.43Å; F318-Q321 PolarHBondContact O-N 2.88Å; Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 3.42Å; Q321-I324 PolarHBondContact O-N 2.99Å; Q321-V325 VanDerWaalsContact O-CG2 3.32Å; Q321-V325 WeakPolarHBondContact O-CG2 3.42Å; Q321-V325 PolarHBondContact O-N 2.76Å; Q321-I336 HydrophobicContact CB-CD1 4.02Å; Q321-G340 PolarHBondContact NE2-O 3.05Å |
| 322 | M | 98.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 176 | -170.2 | 64.8 | 66.8 | 0 | 0 | 111.9 | F318 D319 V320 R326 I336 | F318-M322 HydrophobicContact CE1-CE 4.2Å; F318-M322 HydrophobicContact CE2-CE 4.38Å; F318-M322 HydrophobicContact CZ-CE 3.71Å; F318-M322 PolarHBondContact O-N 3.1Å; D319-M322 PolarHBondContact O-N 3.32Å; V320-M322 VanDerWaalsContact C-N 3.27Å; V320-M322 PolarHBondContact O-N 2.64Å; M322-R326 WeakPolarHBondContact O-CB 3.38Å; M322-R326 WeakPolarHBondContact O-CG 3.27Å; M322-R326 PolarHBondContact O-N 3.26Å; M322-R326 HydrophobicContact SD-CG 4.38Å; M322-I336 HydrophobicContact CB-CD1 4.42Å; M322-I336 HydrophobicContact CE-CB 3.99Å; M322-I336 HydrophobicContact CE-CD1 3.96Å; M322-I336 HydrophobicContact CE-CG1 3.86Å; M322-I336 HydrophobicContact SD-CD1 4.29Å; M322-I336 HydrophobicContact SD-CG1 4.23Å |
| 323 | Q | 98.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 37.5 Ų | 37.5 | 44% | 0.444 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65 | -42.4 | 175.7 | -67.8 | 177.7 | 12.9 | 0 | 0 | 112.1 | V254 D319 V320 Q321 S327 | V254-Q323 HydrophobicContact CG1-CB 3.66Å; V254-Q323 HydrophobicContact CG2-CB 4.27Å; D319-Q323 WeakPolarHBondContact O-CG 3.46Å; D319-Q323 PolarHBondContact O-N 3.4Å; V320-Q323 WeakPolarHBondContact O-CB 3.35Å; V320-Q323 PolarHBondContact O-N 3.41Å; V320-Q323 VanDerWaalsContact O-N 3.1Å; Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 3.42Å; Q323-S327 WeakPolarHBondContact O-CB 3.42Å; Q323-S327 PolarHBondContact O-N 3.36Å |
| 324 | I | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -52.9 | 175.5 | -69.9 | 169.3 | 0 | 0 | 0 | 109.8 | T251 V254 I255 L316 V320 Q321 R326 S327 | T251-I324 HydrophobicContact CG2-CB 4.44Å; T251-I324 HydrophobicContact CG2-CG2 3.79Å; V254-I324 HydrophobicContact CG1-CG1 3.82Å; I255-I324 HydrophobicContact CD1-CD1 4.18Å; I255-I324 HydrophobicContact CD1-CG1 4.44Å; I255-I324 HydrophobicContact CG1-CD1 3.56Å; I255-I324 HydrophobicContact CG1-CG1 3.89Å; L316-I324 HydrophobicContact CD1-CD1 3.61Å; V320-I324 HydrophobicContact CG1-CD1 4.06Å; V320-I324 HydrophobicContact CG1-CG1 4.42Å; V320-I324 WeakPolarHBondContact O-CG1 3.02Å; V320-I324 PolarHBondContact O-N 3.32Å; Q321-I324 PolarHBondContact O-N 2.99Å; I324-R326 PolarHBondContact O-N 3.32Å; I324-S327 PolarHBondContact O-N 3.01Å; I324-S327 PolarHBondContact O-OG 3.47Å |
| 325 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -52.2 | -180 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | P203 I205 I312 Q321 S327 M328 M331 A334 I336 | P203-V325 HydrophobicContact CG-CG2 3.88Å; I205-V325 HydrophobicContact CD1-CG1 3.9Å; I205-V325 HydrophobicContact CD1-CG2 3.86Å; I312-V325 HydrophobicContact CD1-CG2 3.96Å; Q321-V325 VanDerWaalsContact O-CG2 3.32Å; Q321-V325 WeakPolarHBondContact O-CG2 3.42Å; Q321-V325 PolarHBondContact O-N 2.76Å; V325-S327 PolarHBondContact O-N 3.03Å; V325-S327 VanDerWaalsContact O-N 3.16Å; V325-M328 PolarHBondContact O-N 3.25Å; V325-M331 HydrophobicContact CG1-CB 4.14Å; V325-M331 WeakPolarHBondContact O-CB 3.19Å; V325-A334 HydrophobicContact CG1-CB 3.74Å; V325-I336 HydrophobicContact CG2-CD1 4.14Å; V325-I336 HydrophobicContact CG2-CG1 4.39Å |
| 326 | R | 98.6 | Very high | 98.1 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.8 | -6.2 | -177.6 | -68.7 | -175.9 | 172.5 | -175.9 | -6.8 | 115.4 | M322 I324 M331 E332 A334 | M322-R326 WeakPolarHBondContact O-CB 3.38Å; M322-R326 WeakPolarHBondContact O-CG 3.27Å; M322-R326 PolarHBondContact O-N 3.26Å; M322-R326 HydrophobicContact SD-CG 4.38Å; I324-R326 PolarHBondContact O-N 3.32Å; R326-M331 WeakPolarHBondContact CA-O 3.36Å; R326-E332 WeakPolarHBondContact CD-O 2.93Å; R326-E332 WeakPolarHBondContact CG-O 3.31Å; R326-A334 PolarHBondContact NE-O 2.78Å; R326-A334 VanDerWaalsContact NE-O 3.07Å; R326-A334 PolarHBondContact NH2-O 2.92Å |
| 327 | S | 98.2 | Very high | 98.2 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -83.3 | -18.3 | 172.9 | 72 | 0 | 0 | 0 | 0 | 113.1 | N248 T251 Q323 I324 V325 | N248-S327 PolarHBondContact ND2-O 2.9Å; T251-S327 VanDerWaalsContact CA-OG 3.31Å; T251-S327 WeakPolarHBondContact CA-OG 3.43Å; T251-S327 VanDerWaalsContact CB-OG 3.25Å; T251-S327 WeakPolarHBondContact CB-OG 3.43Å; T251-S327 WeakPolarHBondContact CG2-OG 3.45Å; T251-S327 PolarHBondContact OG1-OG 3.13Å; Q323-S327 WeakPolarHBondContact O-CB 3.42Å; Q323-S327 PolarHBondContact O-N 3.36Å; I324-S327 PolarHBondContact O-N 3.01Å; I324-S327 PolarHBondContact O-OG 3.47Å; V325-S327 PolarHBondContact O-N 3.03Å; V325-S327 VanDerWaalsContact O-N 3.16Å |
| 328 | M | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86.4 | 148.4 | -178 | -61.9 | -173.5 | -74.2 | 0 | 0 | 111.9 | T245 T247 I295 I312 V325 G330 M331 | T245-M328 HydrophobicContact CG2-SD 4.44Å; T247-M328 HydrophobicContact CG2-CG 4.46Å; T247-M328 HydrophobicContact CG2-SD 3.89Å; I295-M328 HydrophobicContact CG1-SD 3.91Å; I312-M328 HydrophobicContact CD1-CE 3.81Å; I312-M328 HydrophobicContact CG2-CE 4.21Å; I312-M328 HydrophobicContact CG2-SD 4.16Å; V325-M328 PolarHBondContact O-N 3.25Å; M328-G330 PolarHBondContact O-N 2.72Å; M328-M331 HydrophobicContact CB-CB 4.37Å; M328-M331 HydrophobicContact CB-CG 4.14Å; M328-M331 HydrophobicContact CE-CG 4.47Å; M328-M331 WeakPolarHBondContact O-CB 3.38Å; M328-M331 PolarHBondContact O-N 3.33Å; M328-M331 VanDerWaalsContact O-N 3.12Å |
| 329 | Q | 98.2 | Very high | 98.2 | Very high | 100 Ų | 100 | 49.4 Ų | 49.4 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 134.9 | 179.5 | -175.8 | -178.9 | 9.6 | 0 | 0 | 111.4 | V214 L215 T245 M331 E332 | V214-Q329 HydrophobicContact CG2-CG 4.13Å; L215-Q329 HydrophobicContact CD2-CG 4.36Å; T245-Q329 PolarHBondContact OG1-O 3.49Å; Q329-M331 PolarHBondContact O-N 2.72Å; Q329-E332 WeakPolarHBondContact CA-OE1 3.38Å |
| 330 | G | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -11 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D211 M328 E332 | D211-G330 PolarHBondContact N-O 3.44Å; M328-G330 PolarHBondContact O-N 2.72Å; G330-E332 WeakPolarHBondContact CA-OE2 3.31Å; G330-E332 PolarHBondContact N-OE1 3.25Å; G330-E332 PolarHBondContact N-OE2 3.33Å |
| 331 | M | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -105.5 | 8.6 | -177.5 | -55.9 | -64.1 | 93.9 | 0 | 0 | 112.9 | I210 L215 L297 V325 R326 M328 Q329 N333 A334 | I210-M331 HydrophobicContact CB-CE 3.6Å; I210-M331 HydrophobicContact CD1-CE 3.75Å; I210-M331 HydrophobicContact CD1-SD 3.75Å; I210-M331 HydrophobicContact CG1-CE 3.4Å; I210-M331 VanDerWaalsContact CG1-CE 3.4Å; I210-M331 HydrophobicContact CG1-SD 3.66Å; I210-M331 HydrophobicContact CG2-CE 3.1Å; I210-M331 HydrophobicContact CG2-SD 4.45Å; L215-M331 HydrophobicContact CD1-CE 4.11Å; L297-M331 HydrophobicContact CD1-CE 3.56Å; L297-M331 HydrophobicContact CD1-SD 4.03Å; L297-M331 HydrophobicContact CD2-SD 4.33Å; V325-M331 HydrophobicContact CG1-CB 4.14Å; V325-M331 WeakPolarHBondContact O-CB 3.19Å; R326-M331 WeakPolarHBondContact CA-O 3.36Å; M328-M331 HydrophobicContact CB-CB 4.37Å; M328-M331 HydrophobicContact CB-CG 4.14Å; M328-M331 HydrophobicContact CE-CG 4.47Å; M328-M331 WeakPolarHBondContact O-CB 3.38Å; M328-M331 PolarHBondContact O-N 3.33Å; M328-M331 VanDerWaalsContact O-N 3.12Å; Q329-M331 PolarHBondContact O-N 2.72Å; M331-N333 PolarHBondContact O-N 3.22Å; M331-A334 HydrophobicContact CB-CB 3.95Å; M331-A334 WeakPolarHBondContact O-CB 3.27Å; M331-A334 PolarHBondContact O-N 3.06Å; M331-A334 HydrophobicContact SD-CB 4.34Å | ||
| 332 | E | 98.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.6 | -170.3 | -61.7 | 79.3 | -176.2 | 0 | 0 | 112.3 | R326 Q329 G330 | R326-E332 WeakPolarHBondContact CD-O 2.93Å; R326-E332 WeakPolarHBondContact CG-O 3.31Å; Q329-E332 WeakPolarHBondContact CA-OE1 3.38Å; G330-E332 WeakPolarHBondContact CA-OE2 3.31Å; G330-E332 PolarHBondContact N-OE1 3.25Å; G330-E332 PolarHBondContact N-OE2 3.33Å |
| 333 | N | 98.3 | Very high | 97.6 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 67% | 0.674 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 6 | 178.9 | -63.3 | -57.4 | 0 | 0 | 0 | 113.6 | M331 | M331-N333 PolarHBondContact O-N 3.22Š|
| 334 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -58.4 | 146.6 | -174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I205 T209 V325 R326 M331 | I205-A334 HydrophobicContact CG2-CB 3.77Å; T209-A334 WeakPolarHBondContact O-CA 3.34Å; T209-A334 PolarHBondContact O-N 3.01Å; T209-A334 WeakPolarHBondContact OG1-CA 3.48Å; V325-A334 HydrophobicContact CG1-CB 3.74Å; R326-A334 PolarHBondContact NE-O 2.78Å; R326-A334 VanDerWaalsContact NE-O 3.07Å; R326-A334 PolarHBondContact NH2-O 2.92Å; M331-A334 HydrophobicContact CB-CB 3.95Å; M331-A334 WeakPolarHBondContact O-CB 3.27Å; M331-A334 PolarHBondContact O-N 3.06Å; M331-A334 HydrophobicContact SD-CB 4.34Å | ||
| 335 | K | 98.6 | Very high | 97.2 | Very high | 122 Ų | 122 | 41 Ų | 41 | 53% | 0.53 | 20% | 0.195 | S | C | . | . | trans | -114.6 | 135.1 | 174.4 | -63.8 | -178 | -171 | 174.8 | 0 | 109.6 | D206 T209 | D206-K335 PolarHBondContact N-O 3.18Å; T209-K335 HydrophobicContact CG2-CB 4.13Å; T209-K335 HydrophobicContact CG2-CD 3.91Å; T209-K335 HydrophobicContact CG2-CG 3.88Å; T209-K335 PolarHBondContact OG1-N 2.92Å | ||
| 336 | I | 98.5 | Very high | 97 | Very high | 22 Ų | 22 | 41 Ų | 41 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.8 | 175.6 | -62.5 | 176.3 | 0 | 0 | 0 | 108.8 | P203 R204 I205 F318 Q321 M322 V325 R338 | P203-I336 HydrophobicContact CB-CD1 3.9Å; P203-I336 HydrophobicContact CB-CG1 4.12Å; P203-I336 HydrophobicContact CB-CG2 3.76Å; P203-I336 HydrophobicContact CG-CD1 4.39Å; R204-I336 CarbonylContact O-C 3.37Å; R204-I336 WeakPolarHBondContact O-CA 3.3Å; I205-I336 HydrophobicContact CD1-CB 4.48Å; I205-I336 HydrophobicContact CD1-CG1 3.72Å; F318-I336 HydrophobicContact CE2-CB 3.84Å; F318-I336 HydrophobicContact CE2-CD1 4.06Å; F318-I336 HydrophobicContact CE2-CG2 3.75Å; F318-I336 HydrophobicContact CZ-CB 4.29Å; Q321-I336 HydrophobicContact CB-CD1 4.02Å; M322-I336 HydrophobicContact CB-CD1 4.42Å; M322-I336 HydrophobicContact CE-CB 3.99Å; M322-I336 HydrophobicContact CE-CD1 3.96Å; M322-I336 HydrophobicContact CE-CG1 3.86Å; M322-I336 HydrophobicContact SD-CD1 4.29Å; M322-I336 HydrophobicContact SD-CG1 4.23Å; V325-I336 HydrophobicContact CG2-CD1 4.14Å; V325-I336 HydrophobicContact CG2-CG1 4.39Å; I336-R338 VanDerWaalsContact CG2-C 3.45Å; I336-R338 WeakPolarHBondContact CG2-O 3.45Å |
| 337 | V | 97.9 | Very high | 96.8 | Very high | 73 Ų | 73 | 36.8 Ų | 36.8 | 44% | 0.442 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -42.3 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | R204 D206 E306 | R204-V337 PolarHBondContact O-N 2.58Å; D206-V337 HydrophobicContact CB-CG2 3.79Å; E306-V337 HydrophobicContact CG-CB 4.47Å; E306-V337 HydrophobicContact CG-CG1 4.2Å |
| 338 | R | 96.8 | Very high | 96.6 | Very high | 123 Ų | 123 | 36.3 Ų | 36.3 | 46% | 0.464 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134 | 177.1 | -52.4 | -178.7 | -167 | -167.3 | 3.2 | 110.5 | P203 R204 E306 I336 | P203-R338 CarbonylContact C-O 3.59Å; P203-R338 WeakPolarHBondContact CA-O 3.42Å; R204-R338 HydrophobicContact CB-CB 4.03Å; R204-R338 HydrophobicContact CB-CG 4.29Å; R204-R338 HydrophobicContact CG-CB 4.36Å; R204-R338 PolarHBondContact N-O 2.99Å; R204-R338 PolarHBondContact O-N 2.89Å; E306-R338 IonicContact OE1-CZ 3.51Å; E306-R338 VanDerWaalsContact OE1-CZ 3.27Å; E306-R338 IonicContact OE1-NE 3.33Å; E306-R338 PolarHBondContact OE1-NE 2.71Å; E306-R338 IonicContact OE1-NH2 3.25Å; E306-R338 PolarHBondContact OE1-NH2 2.82Å; E306-R338 IonicContact OE2-CZ 2.9Å; E306-R338 IonicContact OE2-NE 3.31Å; E306-R338 PolarHBondContact OE2-NE 2.78Å; E306-R338 VanDerWaalsContact OE2-NE 3.13Å; E306-R338 IonicContact OE2-NH2 3.89Å; I336-R338 VanDerWaalsContact CG2-C 3.45Å; I336-R338 WeakPolarHBondContact CG2-O 3.45Å |
| 339 | P | 96.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 37 Ų | 37 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | trans | -64.7 | 148.1 | 177.9 | 28.5 | -35 | 0 | 0 | 0 | 111.4 | I165 F318 | I165-P339 HydrophobicContact CD1-CB 4.17Å; I165-P339 HydrophobicContact CD1-CG 3.85Å; F318-P339 HydrophobicContact CD2-CB 4.03Å | ||
| 340 | G | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -68 | 149.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110 | T201 P202 T314 Q321 | T201-G340 VanDerWaalsContact O-CA 3.24Å; T201-G340 WeakPolarHBondContact O-CA 3.3Å; P202-G340 VanDerWaalsContact C-CA 3.47Å; T314-G340 CarbonylContact O-C 3.53Å; Q321-G340 PolarHBondContact NE2-O 3.05Å | ||
| 341 | Y | 95.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 161.4 | -178.7 | 67.5 | -90.6 | 0 | 0 | 0 | 111.1 | I163 H164 A175 G200 T201 T314 I343 | I163-Y341 HydrophobicContact CB-CD2 4.43Å; I163-Y341 HydrophobicContact CD1-CE2 4.4Å; I163-Y341 HydrophobicContact CG1-CD2 4.22Å; I163-Y341 HydrophobicContact CG1-CE2 4.21Å; I163-Y341 HydrophobicContact CG2-CD2 3.61Å; I163-Y341 HydrophobicContact CG2-CE2 4.34Å; I163-Y341 HydrophobicContact CG2-CG 3.9Å; H164-Y341 WeakPolarHBondContact O-CA 3.43Å; H164-Y341 WeakPolarHBondContact O-CB 3.23Å; A175-Y341 HydrophobicContact CB-CD1 4.4Å; A175-Y341 HydrophobicContact CB-CE1 3.65Å; A175-Y341 PolarHBondContact N-OH 3.3Å; G200-Y341 WeakPolarHBondContact CA-O 3.43Å; T201-Y341 HydrophobicContact CG2-CD1 3.39Å; T201-Y341 HydrophobicContact CG2-CD2 4.23Å; T201-Y341 HydrophobicContact CG2-CE1 3.26Å; T201-Y341 HydrophobicContact CG2-CE2 4.13Å; T201-Y341 HydrophobicContact CG2-CG 3.88Å; T201-Y341 PolarHBondContact N-O 2.88Å; T201-Y341 PolarHBondContact O-N 3.01Å; T201-Y341 VanDerWaalsContact O-N 3.17Å; T314-Y341 CarbonylContact O-C 3.54Å; T314-Y341 WeakPolarHBondContact O-CA 3.35Å; T314-Y341 PolarHBondContact O-N 3.37Å; Y341-I343 HydrophobicContact CE2-CB 4.17Å |
| 342 | A | 94 | Very high | 95.8 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I163 H164 T199 I269 | I163-A342 CarbonylContact C-O 3.45Å; I163-A342 WeakPolarHBondContact CA-O 3.32Å; H164-A342 HydrophobicContact CB-CB 4.43Å; H164-A342 PolarHBondContact N-O 3.03Å; H164-A342 PolarHBondContact O-N 3.02Å; T199-A342 CarbonylContact O-C 3.58Å; T199-A342 WeakPolarHBondContact O-CA 3.38Å; I269-A342 HydrophobicContact CD1-CB 4.14Å |
| 343 | I | 93.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.9 | 170.6 | 178.1 | 69.3 | 0 | 0 | 0 | 108.4 | T157 K162 I163 G172 K198 T199 Y341 Y345 | T157-I343 HydrophobicContact CG2-CG1 4.46Å; T157-I343 HydrophobicContact CG2-CG2 4.31Å; K162-I343 WeakPolarHBondContact O-CA 3.31Å; I163-I343 HydrophobicContact CG1-CD1 3.74Å; G172-I343 WeakPolarHBondContact O-CD1 3.45Å; K198-I343 CarbonylContact C-O 3.57Å; K198-I343 VanDerWaalsContact CA-O 3.28Å; K198-I343 WeakPolarHBondContact CA-O 3.42Å; T199-I343 PolarHBondContact N-O 3.26Å; T199-I343 WeakPolarHBondContact O-CG2 3.45Å; T199-I343 PolarHBondContact O-N 2.91Å; T199-I343 VanDerWaalsContact OG1-CG2 3.29Å; T199-I343 WeakPolarHBondContact OG1-CG2 3.49Å; Y341-I343 HydrophobicContact CE2-CB 4.17Å; I343-Y345 HydrophobicContact CG1-CD1 4.43Å |
| 344 | E | 93.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.6 | 166.1 | -65.4 | -167.6 | 74.4 | 0 | 0 | 110.3 | G161 K162 H164 R196 L197 K198 I269 E270 G271 | G161-E344 CarbonylContact C-O 3.55Å; G161-E344 WeakPolarHBondContact CA-O 3.25Å; K162-E344 PolarHBondContact N-O 3.45Å; K162-E344 PolarHBondContact O-N 2.85Å; H164-E344 IonicContact CD2-OE2 3.61Å; H164-E344 IonicContact CE1-OE2 2.89Å; H164-E344 PolarHBondContact CE1-OE2 2.99Å; H164-E344 IonicContact NE2-OE2 2.77Å; H164-E344 PolarHBondContact NE2-OE2 3.17Å; R196-E344 VanDerWaalsContact NH2-C 3.31Å; R196-E344 PolarHBondContact NH2-O 3.13Å; L197-E344 VanDerWaalsContact O-CA 3.29Å; L197-E344 WeakPolarHBondContact O-CA 3.48Å; K198-E344 HydrophobicContact CB-CG 4.02Å; I269-E344 VanDerWaalsContact CA-OE2 3.27Å; I269-E344 WeakPolarHBondContact CA-OE2 3.43Å; I269-E344 HydrophobicContact CB-CG 4.45Å; I269-E344 HydrophobicContact CG1-CG 4.2Å; I269-E344 WeakPolarHBondContact CG1-OE2 3.37Å; I269-E344 HydrophobicContact CG2-CG 3.71Å; E270-E344 PolarHBondContact N-OE1 2.86Å; E270-E344 VanDerWaalsContact N-OE1 3.08Å; G271-E344 PolarHBondContact N-OE1 2.89Å |
| 345 | Y | 94 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 158.1 | -175.9 | 58.7 | -84.1 | 0 | 0 | 0 | 111.2 | T157 R196 L197 T199 I343 F347 Q370 | T157-Y345 HydrophobicContact CG2-CD1 3.69Å; T157-Y345 HydrophobicContact CG2-CE1 3.82Å; T157-Y345 HydrophobicContact CG2-CG 4.06Å; R196-Y345 WeakPolarHBondContact CA-O 3.4Å; L197-Y345 HydrophobicContact CB-CE1 4.25Å; L197-Y345 HydrophobicContact CB-CE2 4.24Å; L197-Y345 PolarHBondContact N-O 3.38Å; L197-Y345 VanDerWaalsContact N-O 3.14Å; L197-Y345 PolarHBondContact O-N 2.83Å; L197-Y345 VanDerWaalsContact O-N 3.07Å; T199-Y345 HydrophobicContact CG2-CE1 4.2Å; I343-Y345 HydrophobicContact CG1-CD1 4.43Å; Y345-F347 HydrophobicContact CE2-CB 4.48Å; Y345-Q370 HydrophobicContact CE2-CB 4.25Å |
| 346 | D | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 138.9 | 172.5 | -66.2 | -14.5 | 0 | 0 | 0 | 111.2 | L159 D160 S184 R188 V194 G195 R196 | L159-D346 HydrophobicContact CB-CB 3.93Å; L159-D346 PolarHBondContact O-N 2.93Å; D160-D346 WeakPolarHBondContact CB-OD2 3.49Å; S184-D346 PolarHBondContact OG-OD2 2.96Å; R188-D346 IonicContact CZ-OD1 3.06Å; R188-D346 IonicContact CZ-OD2 3.2Å; R188-D346 IonicContact NE-OD2 2.9Å; R188-D346 PolarHBondContact NE-OD2 2.92Å; R188-D346 IonicContact NH1-OD2 2.73Å; R188-D346 PolarHBondContact NH1-OD2 2.78Å; R188-D346 IonicContact NH2-OD1 3.14Å; R188-D346 PolarHBondContact NH2-OD1 3.19Å; R188-D346 IonicContact NH2-OD2 3.59Å; R188-D346 PolarHBondContact NH2-OD2 2.71Å; V194-D346 HydrophobicContact CG2-CB 4.26Å; G195-D346 WeakPolarHBondContact O-CA 3.5Å; R196-D346 WeakPolarHBondContact CD-OD1 3.44Å; R196-D346 IonicContact NH1-OD1 3.98Å; R196-D346 PolarHBondContact NH1-OD1 2.89Å; R196-D346 VanDerWaalsContact NH1-OD1 3.16Å |
| 347 | F | 95 | Very high | 95.1 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.3 | 166.5 | 83.7 | -74.1 | 0 | 0 | 0 | 109.3 | V194 G195 L197 Y345 I371 T422 | V194-F347 WeakPolarHBondContact CA-O 3.45Å; G195-F347 VanDerWaalsContact CA-CE1 3.49Å; G195-F347 PolarHBondContact N-O 2.75Å; G195-F347 WeakPolarHBondContact O-CD1 3.37Å; G195-F347 PolarHBondContact O-N 3.33Å; L197-F347 HydrophobicContact CB-CD1 4.27Å; L197-F347 HydrophobicContact CD1-CB 4.21Å; L197-F347 HydrophobicContact CD1-CD1 3.75Å; L197-F347 HydrophobicContact CD1-CD2 4.05Å; L197-F347 HydrophobicContact CD1-CE1 4.06Å; L197-F347 HydrophobicContact CD1-CE2 4.35Å; L197-F347 HydrophobicContact CD1-CG 3.71Å; L197-F347 HydrophobicContact CD1-CZ 4.34Å; L197-F347 HydrophobicContact CD2-CD1 4.37Å; L197-F347 HydrophobicContact CD2-CE1 3.97Å; L197-F347 HydrophobicContact CD2-CZ 4.33Å; L197-F347 HydrophobicContact CG-CD1 3.44Å; L197-F347 VanDerWaalsContact CG-CD1 3.44Å; L197-F347 HydrophobicContact CG-CE1 3.54Å; L197-F347 HydrophobicContact CG-CG 3.97Å; L197-F347 HydrophobicContact CG-CZ 4.17Å; Y345-F347 HydrophobicContact CE2-CB 4.48Å; F347-I371 WeakPolarHBondContact CA-O 3.35Å; F347-I371 WeakPolarHBondContact CB-O 3.32Å; F347-T422 HydrophobicContact CE2-CG2 4.26Å |
| 348 | F | 95.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.6 | 177.2 | -61.7 | -92.9 | 0 | 0 | 0 | 109.4 | L159 L187 L192 R193 V194 P350 F367 I371 | L159-F348 HydrophobicContact CD1-CE2 3.66Å; L159-F348 HydrophobicContact CD1-CZ 4.39Å; L187-F348 HydrophobicContact CB-CE1 3.77Å; L187-F348 HydrophobicContact CB-CE2 4.2Å; L187-F348 HydrophobicContact CB-CZ 3.3Å; L187-F348 HydrophobicContact CD1-CE2 3.84Å; L187-F348 HydrophobicContact CD1-CZ 3.79Å; L187-F348 HydrophobicContact CG-CZ 4.15Å; L192-F348 HydrophobicContact CB-CD1 3.71Å; L192-F348 HydrophobicContact CB-CE1 4.27Å; L192-F348 HydrophobicContact CD1-CD1 4.14Å; L192-F348 HydrophobicContact CD1-CE1 4.44Å; R193-F348 CarbonylContact O-C 3.52Å; R193-F348 VanDerWaalsContact O-CA 3.3Å; R193-F348 WeakPolarHBondContact O-CA 3.39Å; V194-F348 HydrophobicContact CB-CD1 4.32Å; V194-F348 HydrophobicContact CB-CE1 4.2Å; V194-F348 HydrophobicContact CG2-CE1 4.26Å; V194-F348 HydrophobicContact CG2-CZ 4.48Å; F348-P350 VanDerWaalsContact O-CD 3.26Å; F348-P350 WeakPolarHBondContact O-CD 3.37Å; F348-F367 HydrophobicContact CB-CD2 4.11Å; F348-F367 HydrophobicContact CB-CE2 3.78Å; F348-F367 HydrophobicContact CD1-CE2 4.31Å; F348-F367 HydrophobicContact CD2-CD2 4.42Å; F348-F367 AromaticContact CD2-CE2 3.84Å; F348-F367 HydrophobicContact CD2-CE2 3.84Å; F348-F367 HydrophobicContact CG-CD2 4.39Å; F348-F367 AromaticContact CG-CE2 3.69Å; F348-F367 HydrophobicContact CG-CE2 3.69Å; F348-I371 HydrophobicContact CD2-CD1 3.83Å; F348-I371 HydrophobicContact CD2-CG1 3.5Å; F348-I371 HydrophobicContact CE2-CD1 4.04Å; F348-I371 HydrophobicContact CE2-CG1 4.03Å; F348-I371 PolarHBondContact N-O 3.31Å |
| 349 | D | 94.7 | Very high | 95 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 9% | 0.086 | 9% | 0.089 | C | C | . | . | trans | -64.9 | 115 | -179.5 | -167.5 | -21.5 | 0 | 0 | 0 | 110 | R193 R351 D352 | R193-D349 HydrophobicContact CB-CB 3.65Å; R193-D349 IonicContact CZ-OD2 3.84Å; R193-D349 VanDerWaalsContact CZ-OD2 3.31Å; R193-D349 IonicContact NE-OD2 3.83Å; R193-D349 PolarHBondContact NE-OD2 2.87Å; R193-D349 IonicContact NH1-OD2 2.83Å; R193-D349 IonicContact NH2-OD2 3Å; R193-D349 PolarHBondContact O-N 2.81Å; D349-R351 PolarHBondContact O-N 2.86Å; D349-R351 WeakPolarHBondContact OD1-CB 3.06Å; D349-R351 WeakPolarHBondContact OD1-CG 3.48Å; D349-R351 IonicContact OD1-CZ 3.4Å; D349-R351 PolarHBondContact OD1-N 2.99Å; D349-R351 IonicContact OD1-NE 2.84Å; D349-R351 PolarHBondContact OD1-NE 3.04Å; D349-R351 IonicContact OD1-NH2 3.57Å; D349-R351 IonicContact OD2-CZ 3.75Å; D349-R351 IonicContact OD2-NE 3.01Å; D349-R351 PolarHBondContact OD2-NE 2.96Å; D349-R351 IonicContact OD2-NH2 3.04Å; D349-R351 PolarHBondContact OD2-NH2 3.33Å; D349-D352 WeakPolarHBondContact O-CB 3.48Å; D349-D352 PolarHBondContact O-N 3.45Å | ||
| 350 | P | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -67.4 | -9.9 | -175 | 26.4 | -34.3 | 0 | 0 | 0 | 113.5 | F348 D352 L353 N372 L417 | F348-P350 VanDerWaalsContact O-CD 3.26Å; F348-P350 WeakPolarHBondContact O-CD 3.37Å; P350-D352 PolarHBondContact O-N 2.96Å; P350-L353 HydrophobicContact CB-CD1 4.42Å; P350-L353 WeakPolarHBondContact O-CB 3.21Å; P350-L353 PolarHBondContact O-N 3.15Å; P350-N372 HydrophobicContact CB-CB 4.27Å; P350-N372 WeakPolarHBondContact CG-O 3.31Å; P350-L417 HydrophobicContact CB-CB 3.84Å; P350-L417 HydrophobicContact CG-CB 3.94Å; P350-L417 HydrophobicContact CG-CD2 4.01Å; P350-L417 WeakPolarHBondContact CG-O 3.41Å |
| 351 | R | 92.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 23.7 Ų | 23.7 | 25% | 0.245 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -65.3 | -14.9 | 169.8 | -69.3 | 175.7 | -69.2 | 178.5 | -2 | 113.1 | D349 L353 K360 | D349-R351 PolarHBondContact O-N 2.86Å; D349-R351 WeakPolarHBondContact OD1-CB 3.06Å; D349-R351 WeakPolarHBondContact OD1-CG 3.48Å; D349-R351 IonicContact OD1-CZ 3.4Å; D349-R351 PolarHBondContact OD1-N 2.99Å; D349-R351 IonicContact OD1-NE 2.84Å; D349-R351 PolarHBondContact OD1-NE 3.04Å; D349-R351 IonicContact OD1-NH2 3.57Å; D349-R351 IonicContact OD2-CZ 3.75Å; D349-R351 IonicContact OD2-NE 3.01Å; D349-R351 PolarHBondContact OD2-NE 2.96Å; D349-R351 IonicContact OD2-NH2 3.04Å; D349-R351 PolarHBondContact OD2-NH2 3.33Å; R351-L353 PolarHBondContact O-N 3.13Å; R351-K360 WeakPolarHBondContact O-CE 3.43Å; R351-K360 PolarHBondContact O-NZ 2.87Å |
| 352 | D | 93.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -82.9 | 1.6 | 172.7 | -64.9 | -16.8 | 0 | 0 | 0 | 112.5 | L192 R193 D349 P350 K360 F361 | L192-D352 HydrophobicContact CD2-CB 3.85Å; R193-D352 WeakPolarHBondContact CB-OD2 3.42Å; R193-D352 IonicContact CZ-OD1 3.62Å; R193-D352 VanDerWaalsContact CZ-OD1 3.25Å; R193-D352 PolarHBondContact N-OD2 3.07Å; R193-D352 IonicContact NE-OD1 2.77Å; R193-D352 PolarHBondContact NE-OD1 3.42Å; R193-D352 IonicContact NE-OD2 3.63Å; R193-D352 PolarHBondContact NE-OD2 3.35Å; R193-D352 IonicContact NH2-OD1 2.76Å; R193-D352 PolarHBondContact NH2-OD1 3.37Å; D349-D352 WeakPolarHBondContact O-CB 3.48Å; D349-D352 PolarHBondContact O-N 3.45Å; P350-D352 PolarHBondContact O-N 2.96Å; D352-K360 WeakPolarHBondContact O-CB 3.4Å; D352-K360 VanDerWaalsContact O-CG 3.3Å; D352-K360 WeakPolarHBondContact O-CG 3.34Å; D352-K360 PolarHBondContact O-N 3.19Å; D352-F361 HydrophobicContact CB-CD2 4.36Å; D352-F361 HydrophobicContact CB-CE2 3.79Å |
| 353 | L | 94.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -106.3 | 148.5 | 176.5 | -50.5 | 177.4 | 0 | 0 | 0 | 111.4 | P350 R351 L357 E358 K360 F367 N372 | P350-L353 HydrophobicContact CB-CD1 4.42Å; P350-L353 WeakPolarHBondContact O-CB 3.21Å; P350-L353 PolarHBondContact O-N 3.15Å; R351-L353 PolarHBondContact O-N 3.13Å; L353-L357 HydrophobicContact CD1-CD2 4.39Å; L353-E358 CarbonylContact C-O 3.56Å; L353-E358 WeakPolarHBondContact CA-O 3.49Å; L353-K360 WeakPolarHBondContact O-CE 3.39Å; L353-F367 HydrophobicContact CD1-CB 3.97Å; L353-F367 HydrophobicContact CD2-CB 4.21Å; L353-F367 HydrophobicContact CD2-CD2 4.23Å; L353-F367 HydrophobicContact CD2-CG 4.21Å; L353-N372 WeakPolarHBondContact CD1-OD1 3.49Å |
| 354 | K | 93.7 | Very high | 94.8 | Very high | 77 Ų | 77 | 26.6 Ų | 26.6 | 34% | 0.335 | 13% | 0.125 | S | C | . | . | trans | -69.6 | 161.3 | 164.2 | -57.9 | 179.5 | -164.5 | 170.1 | 0 | 109.2 | T356 L357 E358 K360 C418 | K354-T356 WeakPolarHBondContact CB-OG1 3.22Å; K354-T356 PolarHBondContact O-N 3.19Å; K354-L357 WeakPolarHBondContact O-CA 3.37Å; K354-L357 PolarHBondContact O-N 2.99Å; K354-E358 HydrophobicContact CD-CB 4.25Å; K354-E358 WeakPolarHBondContact CE-OE2 3.41Å; K354-E358 PolarHBondContact N-O 3.25Å; K354-E358 IonicContact NZ-OE1 3.45Å; K354-E358 IonicContact NZ-OE2 2.99Å; K354-E358 PolarHBondContact NZ-OE2 2.8Å; K354-K360 HydrophobicContact CG-CG 4.07Å; K354-C418 PolarHBondContact O-SG 2.94Å | ||
| 355 | P | 93.7 | Very high | 95 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 32% | 0.318 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -11.2 | 171.5 | -24.7 | 35.5 | 0 | 0 | 0 | 114.7 | L357 A402 V414 | P355-L357 VanDerWaalsContact C-N 3.27Å; P355-A402 HydrophobicContact CB-CB 3.89Å; P355-V414 VanDerWaalsContact O-CG1 3.27Å; P355-V414 WeakPolarHBondContact O-CG1 3.47Å |
| 356 | T | 97 | Very high | 95.2 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 14% | 0.135 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.2 | 170.7 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | K354 E358 N390 A402 | K354-T356 WeakPolarHBondContact CB-OG1 3.22Å; K354-T356 PolarHBondContact O-N 3.19Å; T356-E358 PolarHBondContact O-N 3.46Å; T356-N390 WeakPolarHBondContact CA-ND2 3.2Å; T356-N390 WeakPolarHBondContact CB-ND2 3.06Å; T356-N390 PolarHBondContact O-ND2 3.3Å; T356-A402 HydrophobicContact CG2-CB 4.41Å |
| 357 | L | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 66.9 | 6.4 | -171.2 | -55.3 | 178.9 | 0 | 0 | 0 | 115.6 | L353 K354 P355 F366 F367 Q383 L386 A387 V414 | L353-L357 HydrophobicContact CD1-CD2 4.39Å; K354-L357 WeakPolarHBondContact O-CA 3.37Å; K354-L357 PolarHBondContact O-N 2.99Å; P355-L357 VanDerWaalsContact C-N 3.27Å; L357-F366 WeakPolarHBondContact O-CA 3.44Å; L357-F367 PolarHBondContact O-N 3.31Å; L357-Q383 HydrophobicContact CD1-CB 3.97Å; L357-Q383 HydrophobicContact CD1-CG 4.2Å; L357-Q383 WeakPolarHBondContact CD1-O 3.18Å; L357-L386 HydrophobicContact CD1-CB 4.09Å; L357-L386 HydrophobicContact CD1-CD2 3.93Å; L357-L386 HydrophobicContact CD1-CG 4.13Å; L357-L386 HydrophobicContact CG-CD2 4.01Å; L357-L386 HydrophobicContact CG-CG 4.44Å; L357-A387 HydrophobicContact CB-CB 4.38Å; L357-A387 HydrophobicContact CD1-CB 4.14Å; L357-V414 HydrophobicContact CD1-CG2 4.46Å; L357-V414 HydrophobicContact CD2-CG1 3.7Å; L357-V414 HydrophobicContact CD2-CG2 4.19Å; L357-V414 HydrophobicContact CG-CG1 4.26Å |
| 358 | E | 97.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -74.2 | 140 | 170.8 | -163.9 | -170.5 | -173.9 | 0 | 0 | 110.4 | L353 K354 T356 Q363 G364 L365 F366 L394 | L353-E358 CarbonylContact C-O 3.56Å; L353-E358 WeakPolarHBondContact CA-O 3.49Å; K354-E358 HydrophobicContact CD-CB 4.25Å; K354-E358 WeakPolarHBondContact CE-OE2 3.41Å; K354-E358 PolarHBondContact N-O 3.25Å; K354-E358 IonicContact NZ-OE1 3.45Å; K354-E358 IonicContact NZ-OE2 2.99Å; K354-E358 PolarHBondContact NZ-OE2 2.8Å; T356-E358 PolarHBondContact O-N 3.46Å; E358-Q363 WeakPolarHBondContact OE1-CA 3.46Å; E358-G364 PolarHBondContact OE1-N 2.9Å; E358-L365 CarbonylContact C-O 3.12Å; E358-F366 HydrophobicContact CB-CD1 3.89Å; E358-F366 HydrophobicContact CB-CE1 3.51Å; E358-F366 HydrophobicContact CB-CZ 3.89Å; E358-F366 HydrophobicContact CG-CD1 4.45Å; E358-F366 HydrophobicContact CG-CE1 4.01Å; E358-F366 HydrophobicContact CG-CE2 4.18Å; E358-F366 HydrophobicContact CG-CZ 3.87Å; E358-L394 WeakPolarHBondContact OE1-CD1 3.13Å |
| 359 | S | 95.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 138.2 | 171.8 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | F361 I362 L365 | S359-F361 PolarHBondContact O-N 3.33Å; S359-F361 PolarHBondContact OG-N 2.84Å; S359-F361 VanDerWaalsContact OG-N 3.15Å; S359-I362 WeakPolarHBondContact CB-O 3.44Å; S359-I362 PolarHBondContact OG-N 2.95Å; S359-L365 WeakPolarHBondContact CB-O 3.49Å; S359-L365 PolarHBondContact N-O 3.33Å |
| 360 | K | 92.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 27 Ų | 27 | 42% | 0.417 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -71.4 | -19.9 | 172.3 | -69.3 | 174.7 | -180 | 173.2 | 0 | 112.6 | R351 D352 L353 K354 | R351-K360 WeakPolarHBondContact O-CE 3.43Å; R351-K360 PolarHBondContact O-NZ 2.87Å; D352-K360 WeakPolarHBondContact O-CB 3.4Å; D352-K360 VanDerWaalsContact O-CG 3.3Å; D352-K360 WeakPolarHBondContact O-CG 3.34Å; D352-K360 PolarHBondContact O-N 3.19Å; L353-K360 WeakPolarHBondContact O-CE 3.39Å; K354-K360 HydrophobicContact CG-CG 4.07Å |
| 361 | F | 91.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 26.9 Ų | 26.9 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -104.3 | -30.6 | -173.3 | -57.5 | -73.6 | 0 | 0 | 0 | 113.6 | P191 L192 D352 S359 | P191-F361 HydrophobicContact CB-CD1 4.21Å; P191-F361 HydrophobicContact CB-CE1 4.44Å; P191-F361 HydrophobicContact CB-CG 4.37Å; P191-F361 HydrophobicContact CG-CB 3.74Å; P191-F361 HydrophobicContact CG-CD1 3.84Å; P191-F361 HydrophobicContact CG-CD2 4.35Å; P191-F361 HydrophobicContact CG-CG 3.73Å; P191-F361 WeakPolarHBondContact O-CD2 3.35Å; P191-F361 WeakPolarHBondContact O-CE2 3.45Å; P191-F361 WeakPolarHBondContact O-CZ 3.22Å; L192-F361 HydrophobicContact CD2-CD2 3.7Å; L192-F361 HydrophobicContact CD2-CE2 4.2Å; D352-F361 HydrophobicContact CB-CD2 4.36Å; D352-F361 HydrophobicContact CB-CE2 3.79Å; S359-F361 PolarHBondContact O-N 3.33Å; S359-F361 PolarHBondContact OG-N 2.84Å; S359-F361 VanDerWaalsContact OG-N 3.15Å |
| 362 | I | 94.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -126.2 | 113.2 | -178.7 | -56.8 | 178.9 | 0 | 0 | 0 | 109.1 | V130 D133 V135 L190 S359 L365 | V130-I362 HydrophobicContact CG1-CG2 4.18Å; V130-I362 HydrophobicContact CG2-CD1 4.39Å; V130-I362 HydrophobicContact CG2-CG2 4.44Å; D133-I362 CarbonylContact O-C 3.5Å; D133-I362 WeakPolarHBondContact O-CA 3.35Å; V135-I362 HydrophobicContact CB-CG2 4.22Å; L190-I362 HydrophobicContact CD1-CD1 3.58Å; L190-I362 HydrophobicContact CD2-CD1 3.82Å; L190-I362 HydrophobicContact CG-CD1 4.16Å; S359-I362 WeakPolarHBondContact CB-O 3.44Å; S359-I362 PolarHBondContact OG-N 2.95Å; I362-L365 HydrophobicContact CB-CB 4.01Å; I362-L365 HydrophobicContact CB-CD2 4.03Å; I362-L365 HydrophobicContact CD1-CD2 3.94Å; I362-L365 HydrophobicContact CG2-CB 3.83Å; I362-L365 HydrophobicContact CG2-CD2 4.16Å; I362-L365 PolarHBondContact O-N 2.87Å |
| 363 | Q | 95.8 | Very high | 95.9 | Very high | 87 Ų | 87 | 23.4 Ų | 23.4 | 41% | 0.407 | 11% | 0.112 | S | C | . | . | B | Isolated β-bridge | trans | -64.7 | 137.6 | 179.3 | -60.2 | 168.4 | 16.4 | 0 | 0 | 110.3 | D133 R134 V135 E358 L365 | D133-Q363 PolarHBondContact O-N 2.89Å; R134-Q363 WeakPolarHBondContact CA-O 3.33Å; R134-Q363 HydrophobicContact CB-CB 4.25Å; R134-Q363 HydrophobicContact CG-CB 4.29Å; V135-Q363 PolarHBondContact N-O 3.04Å; E358-Q363 WeakPolarHBondContact OE1-CA 3.46Å; Q363-L365 PolarHBondContact O-N 3.42Å |
| 364 | G | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -0.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V135 A150 V151 E358 F366 | V135-G364 VanDerWaalsContact CG1-O 3.27Å; V135-G364 WeakPolarHBondContact CG1-O 3.45Å; A150-G364 CarbonylContact C-O 3.48Å; A150-G364 VanDerWaalsContact CA-O 3.3Å; A150-G364 WeakPolarHBondContact CA-O 3.21Å; V151-G364 PolarHBondContact N-O 2.9Å; E358-G364 PolarHBondContact OE1-N 2.9Å; G364-F366 WeakPolarHBondContact O-CD2 3.13Å |
| 365 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.1 | 176.8 | -176.5 | 62.8 | 0 | 0 | 0 | 110.5 | L128 V135 V151 L153 E358 S359 I362 Q363 F367 | L128-L365 HydrophobicContact CD1-CD1 3.77Å; L128-L365 HydrophobicContact CD1-CD2 4.04Å; V135-L365 HydrophobicContact CB-CB 4.42Å; V135-L365 HydrophobicContact CG1-CB 4.27Å; V151-L365 HydrophobicContact CB-CD1 4.12Å; V151-L365 HydrophobicContact CG1-CD1 4.22Å; V151-L365 WeakPolarHBondContact O-CA 3.47Å; L153-L365 HydrophobicContact CD1-CD1 4.32Å; L153-L365 HydrophobicContact CG-CD1 4.12Å; E358-L365 CarbonylContact C-O 3.12Å; S359-L365 WeakPolarHBondContact CB-O 3.49Å; S359-L365 PolarHBondContact N-O 3.33Å; I362-L365 HydrophobicContact CB-CB 4.01Å; I362-L365 HydrophobicContact CB-CD2 4.03Å; I362-L365 HydrophobicContact CD1-CD2 3.94Å; I362-L365 HydrophobicContact CG2-CB 3.83Å; I362-L365 HydrophobicContact CG2-CD2 4.16Å; I362-L365 PolarHBondContact O-N 2.87Å; Q363-L365 PolarHBondContact O-N 3.42Å; L365-F367 HydrophobicContact CD1-CE1 4.14Å; L365-F367 HydrophobicContact CD2-CE1 3.76Å; L365-F367 HydrophobicContact CD2-CZ 4.34Å; L365-F367 HydrophobicContact CG-CD1 4.29Å; L365-F367 HydrophobicContact CG-CE1 3.71Å |
| 366 | F | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.8 | -177.3 | -65 | -100.2 | 0 | 0 | 0 | 111.5 | A150 V151 V152 L153 L357 E358 G364 A387 N390 A391 L394 | A150-F366 HydrophobicContact CB-CE2 4.33Å; V151-F366 PolarHBondContact O-N 3.02Å; V152-F366 CarbonylContact C-O 3.58Å; V152-F366 VanDerWaalsContact CA-O 3.31Å; V152-F366 WeakPolarHBondContact CA-O 3.47Å; V152-F366 HydrophobicContact CB-CB 4.43Å; V152-F366 HydrophobicContact CG1-CB 4.2Å; V152-F366 HydrophobicContact CG2-CB 4.12Å; L153-F366 PolarHBondContact N-O 2.92Å; L357-F366 WeakPolarHBondContact O-CA 3.44Å; E358-F366 HydrophobicContact CB-CD1 3.89Å; E358-F366 HydrophobicContact CB-CE1 3.51Å; E358-F366 HydrophobicContact CB-CZ 3.89Å; E358-F366 HydrophobicContact CG-CD1 4.45Å; E358-F366 HydrophobicContact CG-CE1 4.01Å; E358-F366 HydrophobicContact CG-CE2 4.18Å; E358-F366 HydrophobicContact CG-CZ 3.87Å; G364-F366 WeakPolarHBondContact O-CD2 3.13Å; F366-A387 HydrophobicContact CB-CB 4.12Å; F366-N390 HydrophobicContact CD1-CB 4.22Å; F366-N390 HydrophobicContact CE1-CB 3.46Å; F366-N390 VanDerWaalsContact CE1-CB 3.46Å; F366-N390 HydrophobicContact CZ-CB 4.02Å; F366-A391 HydrophobicContact CD2-CB 3.91Å; F366-A391 HydrophobicContact CE2-CB 3.95Å; F366-L394 HydrophobicContact CE2-CD1 4.2Å; F366-L394 HydrophobicContact CZ-CB 4.43Å; F366-L394 HydrophobicContact CZ-CD1 4.1Å |
| 367 | F | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.5 | 177.3 | -69.7 | 8.2 | 0 | 0 | 0 | 110.5 | L153 L187 L192 F348 L353 L357 L365 I371 N372 | L153-F367 HydrophobicContact CB-CD1 3.92Å; L153-F367 HydrophobicContact CB-CE1 4.23Å; L153-F367 HydrophobicContact CD1-CD1 3.96Å; L153-F367 HydrophobicContact CD1-CE1 3.38Å; L153-F367 HydrophobicContact CD1-CZ 3.92Å; L153-F367 HydrophobicContact CG-CD1 4.15Å; L153-F367 HydrophobicContact CG-CE1 4Å; L187-F367 HydrophobicContact CD2-CZ 4.43Å; L192-F367 HydrophobicContact CD1-CE2 3.86Å; L192-F367 HydrophobicContact CD1-CZ 3.56Å; F348-F367 HydrophobicContact CB-CD2 4.11Å; F348-F367 HydrophobicContact CB-CE2 3.78Å; F348-F367 HydrophobicContact CD1-CE2 4.31Å; F348-F367 HydrophobicContact CD2-CD2 4.42Å; F348-F367 AromaticContact CD2-CE2 3.84Å; F348-F367 HydrophobicContact CD2-CE2 3.84Å; F348-F367 HydrophobicContact CG-CD2 4.39Å; F348-F367 AromaticContact CG-CE2 3.69Å; F348-F367 HydrophobicContact CG-CE2 3.69Å; L353-F367 HydrophobicContact CD1-CB 3.97Å; L353-F367 HydrophobicContact CD2-CB 4.21Å; L353-F367 HydrophobicContact CD2-CD2 4.23Å; L353-F367 HydrophobicContact CD2-CG 4.21Å; L357-F367 PolarHBondContact O-N 3.31Å; L365-F367 HydrophobicContact CD1-CE1 4.14Å; L365-F367 HydrophobicContact CD2-CE1 3.76Å; L365-F367 HydrophobicContact CD2-CZ 4.34Å; L365-F367 HydrophobicContact CG-CD1 4.29Å; L365-F367 HydrophobicContact CG-CE1 3.71Å; F367-I371 HydrophobicContact CB-CG2 4.04Å; F367-I371 HydrophobicContact CD1-CD1 4.38Å; F367-I371 HydrophobicContact CD2-CD1 3.85Å; F367-I371 HydrophobicContact CD2-CG1 4.15Å; F367-I371 HydrophobicContact CE2-CD1 4.02Å; F367-I371 HydrophobicContact CG-CD1 4.05Å; F367-I371 HydrophobicContact CZ-CD1 4.37Å; F367-N372 VanDerWaalsContact C-ND2 3.35Å; F367-N372 WeakPolarHBondContact CB-OD1 3.36Å; F367-N372 PolarHBondContact O-ND2 3.1Å |
| 368 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -144.1 | 138.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A17 V152 L153 T154 I371 Q383 A387 | A17-A368 HydrophobicContact CB-CB 4.13Å; V152-A368 HydrophobicContact CG1-CB 4.48Å; L153-A368 PolarHBondContact O-N 2.86Å; T154-A368 HydrophobicContact CG2-CB 4.1Å; A368-I371 WeakPolarHBondContact O-CG2 3.47Å; A368-Q383 HydrophobicContact CB-CB 3.88Å; A368-A387 HydrophobicContact CB-CB 3.8Å | ||
| 369 | G | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 94.3 | -137.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | I371 N372 T374 | G369-I371 PolarHBondContact O-N 3.21Å; G369-N372 WeakPolarHBondContact O-CB 3.36Å; G369-N372 PolarHBondContact O-N 3.44Å; G369-T374 PolarHBondContact O-OG1 3.26Å |
| 370 | Q | 95 | Very high | 95.6 | Very high | 45 Ų | 45 | 18.8 Ų | 18.8 | 21% | 0.21 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -67.1 | -24.3 | -172.1 | -62.5 | 175.4 | -86.2 | 0 | 0 | 113.1 | Y345 N372 G373 T374 | Y345-Q370 HydrophobicContact CE2-CB 4.25Å; Q370-N372 PolarHBondContact O-N 3.17Å; Q370-G373 PolarHBondContact O-N 2.98Å; Q370-T374 WeakPolarHBondContact CA-O 3.05Å |
| 371 | I | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -58.3 | -27.7 | 172.1 | -169.8 | 176.1 | 0 | 0 | 0 | 112.2 | L153 V155 L159 F347 F348 F367 A368 G369 G373 | L153-I371 HydrophobicContact CB-CD1 3.88Å; L153-I371 HydrophobicContact CD1-CD1 4.16Å; V155-I371 HydrophobicContact CG2-CB 4.04Å; V155-I371 HydrophobicContact CG2-CD1 3.81Å; V155-I371 HydrophobicContact CG2-CG1 4.14Å; L159-I371 HydrophobicContact CD1-CD1 4.24Å; L159-I371 HydrophobicContact CD1-CG1 4.49Å; F347-I371 WeakPolarHBondContact CA-O 3.35Å; F347-I371 WeakPolarHBondContact CB-O 3.32Å; F348-I371 HydrophobicContact CD2-CD1 3.83Å; F348-I371 HydrophobicContact CD2-CG1 3.5Å; F348-I371 HydrophobicContact CE2-CD1 4.04Å; F348-I371 HydrophobicContact CE2-CG1 4.03Å; F348-I371 PolarHBondContact N-O 3.31Å; F367-I371 HydrophobicContact CB-CG2 4.04Å; F367-I371 HydrophobicContact CD1-CD1 4.38Å; F367-I371 HydrophobicContact CD2-CD1 3.85Å; F367-I371 HydrophobicContact CD2-CG1 4.15Å; F367-I371 HydrophobicContact CE2-CD1 4.02Å; F367-I371 HydrophobicContact CG-CD1 4.05Å; F367-I371 HydrophobicContact CZ-CD1 4.37Å; A368-I371 WeakPolarHBondContact O-CG2 3.47Å; G369-I371 PolarHBondContact O-N 3.21Å; I371-G373 VanDerWaalsContact C-N 3.28Å; I371-G373 PolarHBondContact O-N 2.85Å |
| 372 | N | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -88.7 | 10.9 | 176.5 | -66.7 | -16.4 | 0 | 0 | 0 | 113.2 | P350 L353 F367 G369 Q370 Q383 | P350-N372 HydrophobicContact CB-CB 4.27Å; P350-N372 WeakPolarHBondContact CG-O 3.31Å; L353-N372 WeakPolarHBondContact CD1-OD1 3.49Å; F367-N372 VanDerWaalsContact C-ND2 3.35Å; F367-N372 WeakPolarHBondContact CB-OD1 3.36Å; F367-N372 PolarHBondContact O-ND2 3.1Å; G369-N372 WeakPolarHBondContact O-CB 3.36Å; G369-N372 PolarHBondContact O-N 3.44Å; Q370-N372 PolarHBondContact O-N 3.17Å; N372-Q383 PolarHBondContact ND2-OE1 2.85Å |
| 373 | G | 94 | Very high | 96.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 15.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q370 I371 P425 Y426 | Q370-G373 PolarHBondContact O-N 2.98Å; I371-G373 VanDerWaalsContact C-N 3.28Å; I371-G373 PolarHBondContact O-N 2.85Å; G373-P425 CarbonylContact O-C 3.55Å; G373-P425 VanDerWaalsContact O-CA 3.28Å; G373-P425 WeakPolarHBondContact O-CA 3.31Å; G373-Y426 PolarHBondContact O-N 3.43Å |
| 374 | T | 94.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | B | Isolated β-bridge | trans | -85.9 | 158.3 | 171.3 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | G369 Q370 Q383 L413 L417 Y426 | G369-T374 PolarHBondContact O-OG1 3.26Å; Q370-T374 WeakPolarHBondContact CA-O 3.05Å; T374-Q383 PolarHBondContact OG1-NE2 2.81Å; T374-L413 HydrophobicContact CG2-CD1 4.14Å; T374-L417 HydrophobicContact CG2-CD1 3.56Å; T374-L417 HydrophobicContact CG2-CD2 3.83Å; T374-L417 HydrophobicContact CG2-CG 4.29Å; T374-Y426 HydrophobicContact CG2-CD1 4.37Å |
| 375 | T | 85.8 | Confident | 96.6 | Very high | 15 Ų | 15 | 6.2 Ų | 6.2 | 9% | 0.092 | 4% | 0.035 | C | C | . | . | trans | -134.7 | 122 | 169.5 | -176 | 0 | 0 | 0 | 0 | 111 | P425 Y426 R427 | T375-P425 HydrophobicContact CG2-CB 3.33Å; T375-Y426 PolarHBondContact N-O 2.9Å; T375-R427 HydrophobicContact CG2-CG 3.47Å; T375-R427 VanDerWaalsContact CG2-CG 3.47Å | ||
| 376 | G | 91.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 6.2 Ų | 6.2 | 18% | 0.175 | 4% | 0.035 | C | C | . | . | S | Bend | trans | 140 | 150.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E379 A380 | G376-E379 WeakPolarHBondContact CA-OE2 3.25Å; G376-A380 WeakPolarHBondContact O-CB 3.44Å; G376-A380 PolarHBondContact O-N 3.29Å |
| 377 | Y | 96.9 | Very high | 96.7 | Very high | 30 Ų | 30 | 6.1 Ų | 6.1 | 12% | 0.118 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -73.6 | -39.6 | 179.5 | -53.3 | -41.6 | 0 | 0 | 0 | 110.4 | H16 M45 S46 C47 N48 I51 A380 A381 | H16-Y377 AromaticContact CE1-CD1 3.21Å; H16-Y377 WeakPolarHBondContact CE1-CD1 3.37Å; H16-Y377 AromaticContact CE1-CE1 3.66Å; H16-Y377 AromaticContact CE1-CG 3.66Å; H16-Y377 AromaticContact ND1-CD1 3.37Å; H16-Y377 WeakPolarHBondContact ND1-CD1 3.48Å; H16-Y377 AromaticContact ND1-CG 3.98Å; H16-Y377 AromaticContact NE2-CD1 3.77Å; H16-Y377 AromaticContact NE2-CG 3.71Å; M45-Y377 HydrophobicContact CB-CE2 4.29Å; M45-Y377 HydrophobicContact CE-CD2 4.02Å; M45-Y377 HydrophobicContact CE-CE2 3.78Å; M45-Y377 HydrophobicContact CG-CE2 4.45Å; S46-Y377 PolarHBondContact N-OH 3.12Å; C47-Y377 VanDerWaalsContact CA-OH 3.24Å; C47-Y377 WeakPolarHBondContact CA-OH 3.43Å; C47-Y377 VanDerWaalsContact CB-OH 3.25Å; C47-Y377 WeakPolarHBondContact CB-OH 3.28Å; C47-Y377 PolarHBondContact N-OH 3.35Å; N48-Y377 PolarHBondContact N-OH 2.87Å; N48-Y377 WeakPolarHBondContact O-CE2 3.33Å; N48-Y377 PolarHBondContact O-OH 3.43Å; I51-Y377 HydrophobicContact CD1-CD2 3.94Å; I51-Y377 HydrophobicContact CD1-CG 4.37Å; Y377-A380 PolarHBondContact O-N 3.42Å; Y377-A381 VanDerWaalsContact O-CB 3.31Å; Y377-A381 WeakPolarHBondContact O-CB 3.23Å; Y377-A381 PolarHBondContact O-N 2.92Å |
| 378 | E | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 6 Ų | 6 | 3% | 0.033 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -70.9 | -46.3 | -174 | -51.3 | 85.2 | 170.6 | 0 | 0 | 111 | G52 K56 L59 V60 M70 A380 A381 A382 | G52-E378 PolarHBondContact N-OE1 3Å; K56-E378 HydrophobicContact CB-CB 4.17Å; K56-E378 HydrophobicContact CB-CG 3.82Å; K56-E378 WeakPolarHBondContact CD-OE2 3.27Å; K56-E378 HydrophobicContact CG-CB 4.37Å; K56-E378 HydrophobicContact CG-CG 4.27Å; K56-E378 IonicContact NZ-OE2 3.95Å; K56-E378 PolarHBondContact NZ-OE2 3.39Å; L59-E378 HydrophobicContact CB-CB 4.22Å; L59-E378 HydrophobicContact CD1-CB 4.35Å; V60-E378 HydrophobicContact CG2-CB 4.11Å; V60-E378 HydrophobicContact CG2-CG 3.53Å; M70-E378 HydrophobicContact SD-CB 4.43Å; M70-E378 HydrophobicContact SD-CG 4.16Å; E378-A380 PolarHBondContact O-N 3.37Å; E378-A381 PolarHBondContact O-N 3.32Å; E378-A382 VanDerWaalsContact O-CB 3.32Å; E378-A382 WeakPolarHBondContact O-CB 3.5Å; E378-A382 PolarHBondContact O-N 2.89Å |
| 379 | E | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 172.7 | -66.7 | 89 | 156.3 | 0 | 0 | 111.2 | K56 L59 G376 Q383 L413 M428 | K56-E379 VanDerWaalsContact NZ-CD 3.27Å; K56-E379 IonicContact NZ-OE1 3.75Å; K56-E379 PolarHBondContact NZ-OE1 3.31Å; K56-E379 VanDerWaalsContact NZ-OE1 3.09Å; K56-E379 IonicContact NZ-OE2 3.64Å; K56-E379 PolarHBondContact NZ-OE2 3.11Å; L59-E379 HydrophobicContact CD1-CB 4.38Å; L59-E379 HydrophobicContact CD1-CG 3.87Å; G376-E379 WeakPolarHBondContact CA-OE2 3.25Å; E379-Q383 WeakPolarHBondContact O-CG 3.41Å; E379-Q383 PolarHBondContact O-N 3.42Å; E379-Q383 PolarHBondContact O-NE2 3.47Å; E379-L413 HydrophobicContact CB-CD1 4.49Å; E379-L413 HydrophobicContact CB-CD2 4.02Å; E379-L413 HydrophobicContact CG-CD1 4.28Å; E379-L413 HydrophobicContact CG-CD2 4.28Å; E379-M428 HydrophobicContact CG-CB 4.13Å; E379-M428 HydrophobicContact CG-CG 3.69Å; E379-M428 PolarHBondContact OE1-N 3.29Å |
| 380 | A | 98.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 6 Ų | 6 | 5% | 0.05 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -70.7 | -46.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H16 A17 G376 Y377 E378 A382 Q383 G384 | H16-A380 HydrophobicContact CB-CB 4.37Å; A17-A380 VanDerWaalsContact CA-O 3.26Å; A17-A380 WeakPolarHBondContact CA-O 3.24Å; A17-A380 HydrophobicContact CB-CB 4.11Å; A17-A380 WeakPolarHBondContact CB-O 3.37Å; G376-A380 WeakPolarHBondContact O-CB 3.44Å; G376-A380 PolarHBondContact O-N 3.29Å; Y377-A380 PolarHBondContact O-N 3.42Å; E378-A380 PolarHBondContact O-N 3.37Å; A380-A382 PolarHBondContact O-N 2.95Å; A380-Q383 PolarHBondContact O-N 2.87Å; A380-G384 PolarHBondContact O-N 2.75Å |
| 381 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E20 M70 Y377 E378 Q383 G384 L385 | E20-A381 WeakPolarHBondContact CB-O 3.26Å; E20-A381 HydrophobicContact CG-CB 3.74Å; M70-A381 HydrophobicContact CE-CB 3.34Å; M70-A381 HydrophobicContact SD-CB 3.74Å; Y377-A381 VanDerWaalsContact O-CB 3.31Å; Y377-A381 WeakPolarHBondContact O-CB 3.23Å; Y377-A381 PolarHBondContact O-N 2.92Å; E378-A381 PolarHBondContact O-N 3.32Å; A381-Q383 PolarHBondContact O-N 3.27Å; A381-G384 WeakPolarHBondContact O-CA 3.43Å; A381-G384 PolarHBondContact O-N 3.14Å; A381-G384 VanDerWaalsContact O-N 3.12Å; A381-L385 PolarHBondContact O-N 3.15Å |
| 382 | A | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.008 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L59 V63 E378 A380 G384 L386 L410 | L59-A382 HydrophobicContact CB-CB 4.44Å; L59-A382 HydrophobicContact CD1-CB 4.5Å; L59-A382 HydrophobicContact CD2-CB 3.85Å; V63-A382 HydrophobicContact CG2-CB 3.84Å; E378-A382 VanDerWaalsContact O-CB 3.32Å; E378-A382 WeakPolarHBondContact O-CB 3.5Å; E378-A382 PolarHBondContact O-N 2.89Å; A380-A382 PolarHBondContact O-N 2.95Å; A382-G384 VanDerWaalsContact C-N 3.34Å; A382-L386 PolarHBondContact O-N 2.76Å; A382-L410 HydrophobicContact CB-CD1 3.88Å; A382-L410 WeakPolarHBondContact O-CD1 3.2Å |
| 383 | Q | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 171.9 | -75.6 | 167.9 | 77.7 | 0 | 0 | 112.2 | L357 A368 N372 T374 E379 A380 A381 L386 A387 L413 | L357-Q383 HydrophobicContact CD1-CB 3.97Å; L357-Q383 HydrophobicContact CD1-CG 4.2Å; L357-Q383 WeakPolarHBondContact CD1-O 3.18Å; A368-Q383 HydrophobicContact CB-CB 3.88Å; N372-Q383 PolarHBondContact ND2-OE1 2.85Å; T374-Q383 PolarHBondContact OG1-NE2 2.81Å; E379-Q383 WeakPolarHBondContact O-CG 3.41Å; E379-Q383 PolarHBondContact O-N 3.42Å; E379-Q383 PolarHBondContact O-NE2 3.47Å; A380-Q383 PolarHBondContact O-N 2.87Å; A381-Q383 PolarHBondContact O-N 3.27Å; Q383-L386 PolarHBondContact O-N 3.46Å; Q383-A387 WeakPolarHBondContact O-CB 3.46Å; Q383-A387 PolarHBondContact O-N 3.3Å; Q383-L413 HydrophobicContact CG-CD2 4.09Å |
| 384 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.9 | -50.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A17 A21 A380 A381 A382 L386 A387 G388 | A17-G384 WeakPolarHBondContact O-CA 3.18Å; A21-G384 WeakPolarHBondContact CA-O 3.45Å; A21-G384 WeakPolarHBondContact CB-O 3.43Å; A21-G384 PolarHBondContact N-O 3Å; A380-G384 PolarHBondContact O-N 2.75Å; A381-G384 WeakPolarHBondContact O-CA 3.43Å; A381-G384 PolarHBondContact O-N 3.14Å; A381-G384 VanDerWaalsContact O-N 3.12Å; A382-G384 VanDerWaalsContact C-N 3.34Å; G384-L386 VanDerWaalsContact C-N 3.32Å; G384-L386 PolarHBondContact O-N 2.81Å; G384-A387 PolarHBondContact O-N 3.23Å; G384-G388 PolarHBondContact O-N 3.32Å |
| 385 | L | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 8.4 Ų | 8.4 | 2% | 0.016 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -54.4 | -49.2 | 176 | -174.3 | 152.5 | 0 | 0 | 0 | 111 | E20 V63 L66 A381 L389 L457 | E20-L385 HydrophobicContact CB-CB 4.05Å; V63-L385 HydrophobicContact CB-CD1 4.44Å; V63-L385 HydrophobicContact CG1-CD1 4.01Å; L66-L385 HydrophobicContact CB-CD1 3.89Å; L66-L385 HydrophobicContact CB-CD2 4.03Å; L66-L385 HydrophobicContact CD1-CD2 3.78Å; A381-L385 PolarHBondContact O-N 3.15Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 PolarHBondContact O-N 3.36Å; L385-L457 HydrophobicContact CD2-CD1 4.02Å |
| 386 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | -179.8 | -179 | 60.5 | 0 | 0 | 0 | 112.7 | L357 A382 Q383 G384 L389 N390 W401 P403 L410 V414 | L357-L386 HydrophobicContact CD1-CB 4.09Å; L357-L386 HydrophobicContact CD1-CD2 3.93Å; L357-L386 HydrophobicContact CD1-CG 4.13Å; L357-L386 HydrophobicContact CG-CD2 4.01Å; L357-L386 HydrophobicContact CG-CG 4.44Å; A382-L386 PolarHBondContact O-N 2.76Å; Q383-L386 PolarHBondContact O-N 3.46Å; G384-L386 VanDerWaalsContact C-N 3.32Å; G384-L386 PolarHBondContact O-N 2.81Å; L386-L389 HydrophobicContact CD1-CD2 4.27Å; L386-N390 WeakPolarHBondContact CD1-ND2 3.49Å; L386-N390 WeakPolarHBondContact O-CB 3.34Å; L386-N390 PolarHBondContact O-N 3.24Å; L386-N390 PolarHBondContact O-ND2 2.89Å; L386-W401 HydrophobicContact CD1-CE3 3.86Å; L386-W401 HydrophobicContact CD1-CZ3 4.43Å; L386-W401 WeakPolarHBondContact CD1-O 3.47Å; L386-P403 HydrophobicContact CD1-CG 3.91Å; L386-P403 HydrophobicContact CD2-CG 4.09Å; L386-L410 HydrophobicContact CB-CD1 4.43Å; L386-L410 HydrophobicContact CB-CD2 4.45Å; L386-L410 HydrophobicContact CD2-CD1 4.43Å; L386-V414 HydrophobicContact CD2-CB 4.44Å; L386-V414 HydrophobicContact CD2-CG1 4.21Å; L386-V414 HydrophobicContact CD2-CG2 3.79Å |
| 387 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.8 | -42 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V152 L357 F366 A368 Q383 G384 N390 A391 | V152-A387 HydrophobicContact CG1-CB 3.71Å; L357-A387 HydrophobicContact CB-CB 4.38Å; L357-A387 HydrophobicContact CD1-CB 4.14Å; F366-A387 HydrophobicContact CB-CB 4.12Å; A368-A387 HydrophobicContact CB-CB 3.8Å; Q383-A387 WeakPolarHBondContact O-CB 3.46Å; Q383-A387 PolarHBondContact O-N 3.3Å; G384-A387 PolarHBondContact O-N 3.23Å; A387-N390 PolarHBondContact O-N 3.23Å; A387-A391 VanDerWaalsContact O-CB 3.25Å; A387-A391 WeakPolarHBondContact O-CB 3.21Å; A387-A391 PolarHBondContact O-N 3Å |
| 388 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A21 G384 N390 A391 A392 | A21-G388 WeakPolarHBondContact O-CA 3.4Å; G384-G388 PolarHBondContact O-N 3.32Å; G388-N390 PolarHBondContact O-N 3.45Å; G388-A391 PolarHBondContact O-N 3.48Å; G388-A392 WeakPolarHBondContact O-CB 3.33Å; G388-A392 PolarHBondContact O-N 2.86Å |
| 389 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.3 | -53.2 | 172 | 164 | 66.9 | 0 | 0 | 0 | 111.2 | M28 L385 L386 A391 A392 R393 W401 L455 L457 | M28-L389 HydrophobicContact CE-CD1 3.65Å; M28-L389 HydrophobicContact SD-CB 4.44Å; M28-L389 HydrophobicContact SD-CD1 3.41Å; M28-L389 WeakPolarHBondContact SD-CD1 3.39Å; M28-L389 HydrophobicContact SD-CG 4.49Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 PolarHBondContact O-N 3.36Å; L386-L389 HydrophobicContact CD1-CD2 4.27Å; L389-A391 PolarHBondContact O-N 3.19Å; L389-A392 PolarHBondContact O-N 2.89Å; L389-R393 HydrophobicContact CD1-CG 4.08Å; L389-R393 VanDerWaalsContact O-CG 3.32Å; L389-R393 WeakPolarHBondContact O-CG 3.33Å; L389-R393 PolarHBondContact O-N 3.42Å; L389-W401 HydrophobicContact CD2-CB 4.33Å; L389-W401 HydrophobicContact CD2-CD2 4.38Å; L389-W401 HydrophobicContact CD2-CE3 3.43Å; L389-W401 VanDerWaalsContact CD2-CE3 3.43Å; L389-W401 HydrophobicContact CD2-CZ3 4.1Å; L389-L455 HydrophobicContact CD1-CB 3.99Å; L389-L455 HydrophobicContact CD1-CD1 4.37Å; L389-L455 HydrophobicContact CD1-CD2 4.37Å; L389-L455 HydrophobicContact CD1-CG 4.48Å; L389-L455 HydrophobicContact CD2-CD1 3.75Å; L389-L457 HydrophobicContact CB-CD1 4.44Å; L389-L457 HydrophobicContact CD1-CD1 4.15Å; L389-L457 HydrophobicContact CD1-CD2 4.42Å; L389-L457 HydrophobicContact CD1-CG 4.28Å; L389-L457 HydrophobicContact CD2-CD1 4.19Å; L389-L457 HydrophobicContact CG-CD1 4.49Å |
| 390 | N | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.5 | -31.9 | -175.6 | -72.5 | -26.5 | 0 | 0 | 0 | 113 | T356 F366 L386 A387 G388 A392 R393 L394 G400 W401 | T356-N390 WeakPolarHBondContact CA-ND2 3.2Å; T356-N390 WeakPolarHBondContact CB-ND2 3.06Å; T356-N390 PolarHBondContact O-ND2 3.3Å; F366-N390 HydrophobicContact CD1-CB 4.22Å; F366-N390 HydrophobicContact CE1-CB 3.46Å; F366-N390 VanDerWaalsContact CE1-CB 3.46Å; F366-N390 HydrophobicContact CZ-CB 4.02Å; L386-N390 WeakPolarHBondContact CD1-ND2 3.49Å; L386-N390 WeakPolarHBondContact O-CB 3.34Å; L386-N390 PolarHBondContact O-N 3.24Å; L386-N390 PolarHBondContact O-ND2 2.89Å; A387-N390 PolarHBondContact O-N 3.23Å; G388-N390 PolarHBondContact O-N 3.45Å; N390-A392 VanDerWaalsContact C-N 3.34Å; N390-R393 PolarHBondContact O-N 3.01Å; N390-L394 WeakPolarHBondContact O-CB 3.49Å; N390-L394 PolarHBondContact O-N 2.91Å; N390-G400 WeakPolarHBondContact OD1-CA 3.33Å; N390-W401 PolarHBondContact ND2-O 2.76Å; N390-W401 PolarHBondContact OD1-N 2.8Å; N390-W401 PolarHBondContact OD1-O 2.67Å |
| 391 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -43 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V9 A150 V152 F366 A387 G388 L389 L394 S395 | V9-A391 HydrophobicContact CG1-CB 3.74Å; V9-A391 HydrophobicContact CG2-CB 4.12Å; A150-A391 HydrophobicContact CB-CB 3.83Å; V152-A391 HydrophobicContact CG2-CB 3.65Å; F366-A391 HydrophobicContact CD2-CB 3.91Å; F366-A391 HydrophobicContact CE2-CB 3.95Å; A387-A391 VanDerWaalsContact O-CB 3.25Å; A387-A391 WeakPolarHBondContact O-CB 3.21Å; A387-A391 PolarHBondContact O-N 3Å; G388-A391 PolarHBondContact O-N 3.48Å; L389-A391 PolarHBondContact O-N 3.19Å; A391-L394 PolarHBondContact O-N 2.74Å; A391-S395 PolarHBondContact O-N 3.29Å; A391-S395 PolarHBondContact O-OG 3.37Å |
| 392 | A | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.4 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | V9 A25 M28 Q30 G388 L389 N390 S395 A396 | V9-A392 HydrophobicContact CG2-CB 4.48Å; A25-A392 HydrophobicContact CB-CB 3.92Å; M28-A392 HydrophobicContact CB-CB 4.4Å; M28-A392 HydrophobicContact CE-CB 3.84Å; M28-A392 HydrophobicContact SD-CB 3.79Å; Q30-A392 HydrophobicContact CB-CB 4.4Å; Q30-A392 HydrophobicContact CG-CB 3.6Å; G388-A392 WeakPolarHBondContact O-CB 3.33Å; G388-A392 PolarHBondContact O-N 2.86Å; L389-A392 PolarHBondContact O-N 2.89Å; N390-A392 VanDerWaalsContact C-N 3.34Å; A392-S395 WeakPolarHBondContact CA-OG 3.38Å; A392-S395 PolarHBondContact O-OG 3.14Å; A392-A396 WeakPolarHBondContact O-CB 3.37Å; A392-A396 PolarHBondContact O-N 3.47Å |
| 393 | R | 98.5 | Very high | 97.7 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 17% | 0.17 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.9 | -45.2 | 172.8 | -69.2 | -177.1 | 67.3 | 86.3 | 1.6 | 110.9 | M28 L389 N390 S395 A396 D397 K398 E399 L455 | M28-R393 HydrophobicContact CE-CG 3.67Å; L389-R393 HydrophobicContact CD1-CG 4.08Å; L389-R393 VanDerWaalsContact O-CG 3.32Å; L389-R393 WeakPolarHBondContact O-CG 3.33Å; L389-R393 PolarHBondContact O-N 3.42Å; N390-R393 PolarHBondContact O-N 3.01Å; R393-S395 PolarHBondContact O-N 2.84Å; R393-A396 CarbonylContact O-C 3.54Å; R393-A396 WeakPolarHBondContact O-CA 3.35Å; R393-A396 PolarHBondContact O-N 2.8Å; R393-A396 VanDerWaalsContact O-N 3.11Å; R393-D397 PolarHBondContact O-N 3.15Å; R393-K398 CarbonylContact C-O 3.6Å; R393-K398 HydrophobicContact CB-CB 4.01Å; R393-K398 WeakPolarHBondContact O-CB 3.35Å; R393-K398 PolarHBondContact O-N 3.43Å; R393-E399 VanDerWaalsContact CZ-O 3.29Å; R393-E399 PolarHBondContact NE-O 3.41Å; R393-E399 PolarHBondContact NH2-O 3.39Å; R393-L455 VanDerWaalsContact NH1-CD2 3.32Å |
| 394 | L | 98.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.7 | -173.2 | 150 | 0 | 0 | 0 | 111.6 | A150 E358 F366 N390 A391 A396 D397 | A150-L394 HydrophobicContact CB-CD2 4.29Å; E358-L394 WeakPolarHBondContact OE1-CD1 3.13Å; F366-L394 HydrophobicContact CE2-CD1 4.2Å; F366-L394 HydrophobicContact CZ-CB 4.43Å; F366-L394 HydrophobicContact CZ-CD1 4.1Å; N390-L394 WeakPolarHBondContact O-CB 3.49Å; N390-L394 PolarHBondContact O-N 2.91Å; A391-L394 PolarHBondContact O-N 2.74Å; L394-A396 PolarHBondContact O-N 3.39Å; L394-D397 PolarHBondContact O-N 2.97Å |
| 395 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -22.1 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | Q30 K149 A391 A392 R393 | Q30-S395 PolarHBondContact OE1-OG 3.12Å; K149-S395 VanDerWaalsContact CD-O 3.29Å; K149-S395 WeakPolarHBondContact CD-O 3.28Å; K149-S395 PolarHBondContact NZ-O 3.47Å; A391-S395 PolarHBondContact O-N 3.29Å; A391-S395 PolarHBondContact O-OG 3.37Å; A392-S395 WeakPolarHBondContact CA-OG 3.38Å; A392-S395 PolarHBondContact O-OG 3.14Å; R393-S395 PolarHBondContact O-N 2.84Å |
| 396 | A | 97.2 | Very high | 96.7 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 18.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A392 R393 L394 K398 | A392-A396 WeakPolarHBondContact O-CB 3.37Å; A392-A396 PolarHBondContact O-N 3.47Å; R393-A396 CarbonylContact O-C 3.54Å; R393-A396 WeakPolarHBondContact O-CA 3.35Å; R393-A396 PolarHBondContact O-N 2.8Å; R393-A396 VanDerWaalsContact O-N 3.11Å; L394-A396 PolarHBondContact O-N 3.39Å; A396-K398 VanDerWaalsContact C-N 3.25Å; A396-K398 PolarHBondContact O-N 3.04Å |
| 397 | D | 96.5 | Very high | 96.3 | Very high | 151 Ų | 151 | 40 Ų | 40 | 81% | 0.807 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.4 | 178.2 | -58 | -66.4 | 0 | 0 | 0 | 113.9 | R393 L394 | R393-D397 PolarHBondContact O-N 3.15Å; L394-D397 PolarHBondContact O-N 2.97Å |
| 398 | K | 96.8 | Very high | 96.2 | Very high | 125 Ų | 125 | 40 Ų | 40 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | trans | -110.2 | 144.3 | 176.8 | -67.5 | 174.1 | -177.3 | 175.9 | 0 | 111.2 | R393 A396 | R393-K398 CarbonylContact C-O 3.6Å; R393-K398 HydrophobicContact CB-CB 4.01Å; R393-K398 WeakPolarHBondContact O-CB 3.35Å; R393-K398 PolarHBondContact O-N 3.43Å; A396-K398 VanDerWaalsContact C-N 3.25Å; A396-K398 PolarHBondContact O-N 3.04Å | ||
| 399 | E | 94.6 | Very high | 96.1 | Very high | 165 Ų | 165 | 40 Ų | 40 | 77% | 0.771 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -59.9 | 137.1 | 174.1 | -73.8 | -64.1 | 155.7 | 0 | 0 | 112 | R393 | R393-E399 VanDerWaalsContact CZ-O 3.29Å; R393-E399 PolarHBondContact NE-O 3.41Å; R393-E399 PolarHBondContact NH2-O 3.39Å |
| 400 | G | 95.9 | Very high | 96 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 32% | 0.32 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 148.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N390 | N390-G400 WeakPolarHBondContact OD1-CA 3.33Š|
| 401 | W | 97.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 40 Ų | 40 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -89 | 135.1 | 172.1 | 178.8 | 52.8 | 0 | 0 | 0 | 110.5 | L66 L386 L389 N390 P403 L448 I451 L455 | L66-W401 HydrophobicContact CD1-CH2 4.03Å; L66-W401 HydrophobicContact CD1-CZ3 3.97Å; L66-W401 HydrophobicContact CD2-CH2 3.89Å; L66-W401 HydrophobicContact CD2-CZ3 4.06Å; L386-W401 HydrophobicContact CD1-CE3 3.86Å; L386-W401 HydrophobicContact CD1-CZ3 4.43Å; L386-W401 WeakPolarHBondContact CD1-O 3.47Å; L389-W401 HydrophobicContact CD2-CB 4.33Å; L389-W401 HydrophobicContact CD2-CD2 4.38Å; L389-W401 HydrophobicContact CD2-CE3 3.43Å; L389-W401 VanDerWaalsContact CD2-CE3 3.43Å; L389-W401 HydrophobicContact CD2-CZ3 4.1Å; N390-W401 PolarHBondContact ND2-O 2.76Å; N390-W401 PolarHBondContact OD1-N 2.8Å; N390-W401 PolarHBondContact OD1-O 2.67Å; W401-P403 HydrophobicContact CD2-CG 3.98Å; W401-P403 HydrophobicContact CE3-CG 3.77Å; W401-P403 HydrophobicContact CH2-CB 3.92Å; W401-P403 HydrophobicContact CH2-CG 3.68Å; W401-P403 HydrophobicContact CZ2-CB 3.74Å; W401-P403 HydrophobicContact CZ2-CG 3.81Å; W401-P403 HydrophobicContact CZ3-CB 4.41Å; W401-P403 HydrophobicContact CZ3-CG 3.66Å; W401-L448 HydrophobicContact CH2-CD2 4.36Å; W401-I451 HydrophobicContact CH2-CG2 4.11Å; W401-I451 HydrophobicContact CZ2-CD1 4.45Å; W401-I451 HydrophobicContact CZ2-CG2 3.68Å; W401-L455 HydrophobicContact CB-CD1 4.46Å; W401-L455 HydrophobicContact CB-CD2 4.27Å; W401-L455 HydrophobicContact CD2-CD1 3.75Å; W401-L455 HydrophobicContact CE3-CD1 3.59Å; W401-L455 HydrophobicContact CG-CD1 4.16Å; W401-L455 HydrophobicContact CZ3-CD1 3.99Å |
| 402 | A | 96 | Very high | 95.7 | Very high | 48 Ų | 48 | 40 Ų | 40 | 40% | 0.397 | 22% | 0.219 | S | C | . | . | trans | -118.3 | 106.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108 | P355 T356 A404 | P355-A402 HydrophobicContact CB-CB 3.89Å; T356-A402 HydrophobicContact CG2-CB 4.41Å; A402-A404 PolarHBondContact O-N 3.27Å | ||
| 403 | P | 94.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | trans | -61.1 | 132.9 | -177.7 | -20.9 | 30.7 | 0 | 0 | 0 | 111.3 | L386 W401 L410 G411 | L386-P403 HydrophobicContact CD1-CG 3.91Å; L386-P403 HydrophobicContact CD2-CG 4.09Å; W401-P403 HydrophobicContact CD2-CG 3.98Å; W401-P403 HydrophobicContact CE3-CG 3.77Å; W401-P403 HydrophobicContact CH2-CB 3.92Å; W401-P403 HydrophobicContact CH2-CG 3.68Å; W401-P403 HydrophobicContact CZ2-CB 3.74Å; W401-P403 HydrophobicContact CZ2-CG 3.81Å; W401-P403 HydrophobicContact CZ3-CB 4.41Å; W401-P403 HydrophobicContact CZ3-CG 3.66Å; P403-L410 HydrophobicContact CB-CG 4.49Å; P403-L410 HydrophobicContact CG-CD2 3.99Å; P403-L410 HydrophobicContact CG-CG 4.08Å; P403-G411 WeakPolarHBondContact O-CA 3.3Å | ||
| 404 | A | 91.4 | Very high | 95.4 | Very high | 32 Ų | 32 | 38 Ų | 38 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | trans | -72.3 | 144.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A402 S406 Q407 A408 | A402-A404 PolarHBondContact O-N 3.27Å; A404-S406 PolarHBondContact O-N 3.22Å; A404-S406 VanDerWaalsContact O-N 3.16Å; A404-Q407 HydrophobicContact CB-CB 4.24Å; A404-Q407 HydrophobicContact CB-CG 3.9Å; A404-Q407 VanDerWaalsContact N-OE1 3.16Å; A404-Q407 WeakPolarHBondContact O-CB 3.35Å; A404-Q407 PolarHBondContact O-N 2.94Å; A404-A408 PolarHBondContact O-N 3Å | ||
| 405 | R | 92.2 | Very high | 95.2 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.5 | 173.8 | -63.4 | 179.8 | 70.5 | 82 | -0.4 | 113.3 | Q407 V412 D415 D416 E434 L439 | R405-Q407 VanDerWaalsContact C-N 3.34Å; R405-V412 HydrophobicContact CB-CG2 4.12Å; R405-V412 PolarHBondContact NH1-O 3.09Å; R405-D415 VanDerWaalsContact CD-OD2 3.31Å; R405-D415 WeakPolarHBondContact CD-OD2 3.5Å; R405-D415 HydrophobicContact CG-CB 3.77Å; R405-D415 IonicContact CZ-OD2 3.38Å; R405-D415 IonicContact NE-OD2 3.18Å; R405-D415 IonicContact NH1-OD2 3.94Å; R405-D415 PolarHBondContact NH1-OD2 3.26Å; R405-D416 IonicContact CZ-OD1 3.96Å; R405-D416 IonicContact NH1-OD1 3.17Å; R405-D416 PolarHBondContact NH1-OD1 3.16Å; R405-D416 IonicContact NH2-OD1 2.67Å; R405-D416 PolarHBondContact NH2-OD1 3.31Å; R405-E434 IonicContact CZ-OE1 2.86Å; R405-E434 IonicContact CZ-OE2 3.34Å; R405-E434 IonicContact NE-OE1 3.48Å; R405-E434 IonicContact NE-OE2 2.7Å; R405-E434 IonicContact NH2-OE1 3.12Å; R405-E434 PolarHBondContact NH2-OE1 3.02Å; R405-E434 IonicContact NH2-OE2 3.84Å; R405-E434 PolarHBondContact NH2-OE2 3.36Å; R405-L439 WeakPolarHBondContact O-CD1 3.34Å |
| 406 | S | 90.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -13.7 | 177.1 | 56 | 0 | 0 | 0 | 0 | 113.8 | A404 L439 | A404-S406 PolarHBondContact O-N 3.22Å; A404-S406 VanDerWaalsContact O-N 3.16Å; S406-L439 WeakPolarHBondContact O-CD2 3.47Å |
| 407 | Q | 92.1 | Very high | 94.8 | Very high | 69 Ų | 69 | 35.6 Ų | 35.6 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -35.6 | -179.8 | -73.1 | 172 | -22.9 | 0 | 0 | 112.3 | A404 R405 L439 R447 | A404-Q407 HydrophobicContact CB-CB 4.24Å; A404-Q407 HydrophobicContact CB-CG 3.9Å; A404-Q407 VanDerWaalsContact N-OE1 3.16Å; A404-Q407 WeakPolarHBondContact O-CB 3.35Å; A404-Q407 PolarHBondContact O-N 2.94Å; R405-Q407 VanDerWaalsContact C-N 3.34Å; Q407-L439 WeakPolarHBondContact O-CD2 3.33Å; Q407-R447 PolarHBondContact O-NH1 3.35Å |
| 408 | A | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -155.1 | 149.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E62 A404 L410 G411 V412 L448 | E62-A408 WeakPolarHBondContact OE1-CA 3.43Å; E62-A408 WeakPolarHBondContact OE2-CB 3.34Å; A404-A408 PolarHBondContact O-N 3Å; A408-L410 HydrophobicContact CB-CB 4.11Å; A408-L410 PolarHBondContact O-N 3.5Å; A408-G411 WeakPolarHBondContact O-CA 3.48Å; A408-G411 PolarHBondContact O-N 2.78Å; A408-V412 PolarHBondContact O-N 3.15Å; A408-V412 VanDerWaalsContact O-N 3.11Å; A408-L448 HydrophobicContact CB-CD1 4.03Å; A408-L448 HydrophobicContact CB-CD2 4.19Å | ||
| 409 | Y | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -31.8 | 162.4 | -86.7 | -79.9 | 0 | 0 | 0 | 111.8 | H58 E62 G411 V412 L413 M428 T430 A433 L439 | H58-Y409 HydrophobicContact CB-CD2 3.56Å; H58-Y409 HydrophobicContact CB-CE2 3.89Å; H58-Y409 HydrophobicContact CB-CG 4.13Å; H58-Y409 AromaticContact CD2-CD2 3.79Å; H58-Y409 AromaticContact CD2-CE2 3.22Å; H58-Y409 WeakPolarHBondContact CD2-CE2 3.38Å; H58-Y409 AromaticContact CD2-CZ 3.97Å; H58-Y409 AromaticContact CG-CD2 3.99Å; H58-Y409 AromaticContact CG-CE2 3.77Å; E62-Y409 VanDerWaalsContact CD-N 3.26Å; E62-Y409 PolarHBondContact OE1-N 3.41Å; E62-Y409 WeakPolarHBondContact OE2-CA 3.39Å; E62-Y409 WeakPolarHBondContact OE2-CB 3.49Å; E62-Y409 PolarHBondContact OE2-N 3.43Å; Y409-G411 VanDerWaalsContact C-N 3.29Å; Y409-G411 PolarHBondContact O-N 3.08Å; Y409-V412 WeakPolarHBondContact O-CB 3.39Å; Y409-V412 PolarHBondContact O-N 3.48Å; Y409-L413 WeakPolarHBondContact O-CB 3.45Å; Y409-L413 PolarHBondContact O-N 3.37Å; Y409-M428 HydrophobicContact CD1-CE 3.42Å; Y409-M428 VanDerWaalsContact CD1-CE 3.42Å; Y409-M428 HydrophobicContact CE1-CE 4.29Å; Y409-M428 HydrophobicContact CG-CE 4.25Å; Y409-T430 WeakPolarHBondContact OH-CA 3.36Å; Y409-T430 WeakPolarHBondContact OH-CB 3.05Å; Y409-T430 PolarHBondContact OH-O 3.31Å; Y409-A433 HydrophobicContact CD1-CB 3.96Å; Y409-A433 HydrophobicContact CE1-CB 3.28Å; Y409-A433 HydrophobicContact CE2-CB 4.35Å; Y409-L439 HydrophobicContact CD2-CB 3.86Å; Y409-L439 HydrophobicContact CE2-CB 3.68Å; Y409-L439 WeakPolarHBondContact CE2-O 3.37Å |
| 410 | L | 97.6 | Very high | 94 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.6 | -42.9 | 168.4 | 170.8 | 59.4 | 0 | 0 | 0 | 111.7 | L59 E62 L66 A382 L386 P403 A408 L413 V414 | L59-L410 HydrophobicContact CD2-CB 4.3Å; E62-L410 PolarHBondContact OE2-N 3.36Å; L66-L410 HydrophobicContact CD1-CD2 3.97Å; A382-L410 HydrophobicContact CB-CD1 3.88Å; A382-L410 WeakPolarHBondContact O-CD1 3.2Å; L386-L410 HydrophobicContact CB-CD1 4.43Å; L386-L410 HydrophobicContact CB-CD2 4.45Å; L386-L410 HydrophobicContact CD2-CD1 4.43Å; P403-L410 HydrophobicContact CB-CG 4.49Å; P403-L410 HydrophobicContact CG-CD2 3.99Å; P403-L410 HydrophobicContact CG-CG 4.08Å; A408-L410 HydrophobicContact CB-CB 4.11Å; A408-L410 PolarHBondContact O-N 3.5Å; L410-L413 PolarHBondContact O-N 3.45Å; L410-V414 HydrophobicContact CD1-CG2 3.86Å; L410-V414 WeakPolarHBondContact O-CG2 3.38Å; L410-V414 PolarHBondContact O-N 3.41Å |
| 411 | G | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P403 A408 Y409 D415 | P403-G411 WeakPolarHBondContact O-CA 3.3Å; A408-G411 WeakPolarHBondContact O-CA 3.48Å; A408-G411 PolarHBondContact O-N 2.78Å; Y409-G411 VanDerWaalsContact C-N 3.29Å; Y409-G411 PolarHBondContact O-N 3.08Å; G411-D415 VanDerWaalsContact O-CB 3.23Å; G411-D415 WeakPolarHBondContact O-CB 3.23Å; G411-D415 PolarHBondContact O-N 3.32Å |
| 412 | V | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | R405 A408 Y409 V414 D416 M428 R432 A433 L439 | R405-V412 HydrophobicContact CB-CG2 4.12Å; R405-V412 PolarHBondContact NH1-O 3.09Å; A408-V412 PolarHBondContact O-N 3.15Å; A408-V412 VanDerWaalsContact O-N 3.11Å; Y409-V412 WeakPolarHBondContact O-CB 3.39Å; Y409-V412 PolarHBondContact O-N 3.48Å; V412-V414 PolarHBondContact O-N 3.47Å; V412-D416 WeakPolarHBondContact O-CB 3.45Å; V412-D416 VanDerWaalsContact O-CG 3.28Å; V412-D416 PolarHBondContact O-N 3.08Å; V412-M428 HydrophobicContact CB-CE 4.26Å; V412-M428 HydrophobicContact CG1-CE 4.06Å; V412-R432 HydrophobicContact CG1-CB 4.36Å; V412-A433 HydrophobicContact CG2-CB 4.3Å; V412-L439 HydrophobicContact CG2-CD1 4.33Å |
| 413 | L | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 178.9 | 171.5 | 61.3 | 0 | 0 | 0 | 111.3 | L59 T374 E379 Q383 Y409 L410 L417 Y426 M428 | L59-L413 HydrophobicContact CD1-CD2 4.27Å; L59-L413 HydrophobicContact CD2-CD2 4.48Å; T374-L413 HydrophobicContact CG2-CD1 4.14Å; E379-L413 HydrophobicContact CB-CD1 4.49Å; E379-L413 HydrophobicContact CB-CD2 4.02Å; E379-L413 HydrophobicContact CG-CD1 4.28Å; E379-L413 HydrophobicContact CG-CD2 4.28Å; Q383-L413 HydrophobicContact CG-CD2 4.09Å; Y409-L413 WeakPolarHBondContact O-CB 3.45Å; Y409-L413 PolarHBondContact O-N 3.37Å; L410-L413 PolarHBondContact O-N 3.45Å; L413-L417 HydrophobicContact CD1-CD1 3.78Å; L413-L417 HydrophobicContact CD1-CG 4.26Å; L413-L417 HydrophobicContact CG-CD1 4.09Å; L413-L417 WeakPolarHBondContact O-CG 3.2Å; L413-L417 PolarHBondContact O-N 2.95Å; L413-L417 VanDerWaalsContact O-N 3.11Å; L413-Y426 HydrophobicContact CD1-CD1 3.58Å; L413-Y426 HydrophobicContact CD1-CE1 3.35Å; L413-M428 HydrophobicContact CB-CE 4.24Å; L413-M428 HydrophobicContact CB-CG 4.27Å; L413-M428 HydrophobicContact CB-SD 3.71Å; L413-M428 HydrophobicContact CD1-CG 3.98Å; L413-M428 HydrophobicContact CD1-SD 3.86Å; L413-M428 HydrophobicContact CG-CG 4.49Å; L413-M428 HydrophobicContact CG-SD 4.34Å |
| 414 | V | 96.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.2 | -41.5 | -173.7 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | P355 L357 L386 L410 V412 L417 C418 | P355-V414 VanDerWaalsContact O-CG1 3.27Å; P355-V414 WeakPolarHBondContact O-CG1 3.47Å; L357-V414 HydrophobicContact CD1-CG2 4.46Å; L357-V414 HydrophobicContact CD2-CG1 3.7Å; L357-V414 HydrophobicContact CD2-CG2 4.19Å; L357-V414 HydrophobicContact CG-CG1 4.26Å; L386-V414 HydrophobicContact CD2-CB 4.44Å; L386-V414 HydrophobicContact CD2-CG1 4.21Å; L386-V414 HydrophobicContact CD2-CG2 3.79Å; L410-V414 HydrophobicContact CD1-CG2 3.86Å; L410-V414 WeakPolarHBondContact O-CG2 3.38Å; L410-V414 PolarHBondContact O-N 3.41Å; V412-V414 PolarHBondContact O-N 3.47Å; V414-L417 PolarHBondContact O-N 2.69Å; V414-C418 WeakPolarHBondContact O-CB 3.4Å; V414-C418 PolarHBondContact O-N 2.81Å; V414-C418 PolarHBondContact O-SG 3.22Å |
| 415 | D | 92.8 | Very high | 92 | Very high | 22 Ų | 22 | 23.4 Ų | 23.4 | 12% | 0.118 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.9 | 176 | 93.7 | 0 | 0 | 0 | 111.7 | R405 G411 L417 T419 R603 | R405-D415 VanDerWaalsContact CD-OD2 3.31Å; R405-D415 WeakPolarHBondContact CD-OD2 3.5Å; R405-D415 HydrophobicContact CG-CB 3.77Å; R405-D415 IonicContact CZ-OD2 3.38Å; R405-D415 IonicContact NE-OD2 3.18Å; R405-D415 IonicContact NH1-OD2 3.94Å; R405-D415 PolarHBondContact NH1-OD2 3.26Å; G411-D415 VanDerWaalsContact O-CB 3.23Å; G411-D415 WeakPolarHBondContact O-CB 3.23Å; G411-D415 PolarHBondContact O-N 3.32Å; D415-L417 PolarHBondContact O-N 2.77Å; D415-T419 WeakPolarHBondContact O-CB 3.41Å; D415-T419 PolarHBondContact O-N 2.78Å; D415-T419 PolarHBondContact O-OG1 3.1Å; D415-R603 IonicContact OD1-CZ 2.73Å; D415-R603 IonicContact OD1-NE 3.73Å; D415-R603 IonicContact OD1-NH2 3.31Å; D415-R603 PolarHBondContact OD1-NH2 2.96Å; D415-R603 IonicContact OD2-CZ 3.49Å; D415-R603 IonicContact OD2-NE 2.64Å; D415-R603 PolarHBondContact OD2-NE 3.15Å; D415-R603 IonicContact OD2-NH2 3Å; D415-R603 PolarHBondContact OD2-NH2 2.87Å |
| 416 | D | 93.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.8 | -79.6 | 2 | 0 | 0 | 0 | 111.1 | R405 V412 L420 Y426 | R405-D416 IonicContact CZ-OD1 3.96Å; R405-D416 IonicContact NH1-OD1 3.17Å; R405-D416 PolarHBondContact NH1-OD1 3.16Å; R405-D416 IonicContact NH2-OD1 2.67Å; R405-D416 PolarHBondContact NH2-OD1 3.31Å; V412-D416 WeakPolarHBondContact O-CB 3.45Å; V412-D416 VanDerWaalsContact O-CG 3.28Å; V412-D416 PolarHBondContact O-N 3.08Å; D416-L420 WeakPolarHBondContact O-CA 3.33Å; D416-L420 VanDerWaalsContact O-CB 3.24Å; D416-L420 WeakPolarHBondContact O-CB 3.11Å; D416-L420 PolarHBondContact O-N 2.76Å; D416-Y426 HydrophobicContact CB-CE2 3.55Å; D416-Y426 PolarHBondContact OD2-OH 2.88Å |
| 417 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -52.3 | -179.9 | -71 | 170.6 | 0 | 0 | 0 | 111.4 | P350 T374 L413 V414 D415 T419 G421 Y426 | P350-L417 HydrophobicContact CB-CB 3.84Å; P350-L417 HydrophobicContact CG-CB 3.94Å; P350-L417 HydrophobicContact CG-CD2 4.01Å; P350-L417 WeakPolarHBondContact CG-O 3.41Å; T374-L417 HydrophobicContact CG2-CD1 3.56Å; T374-L417 HydrophobicContact CG2-CD2 3.83Å; T374-L417 HydrophobicContact CG2-CG 4.29Å; L413-L417 HydrophobicContact CD1-CD1 3.78Å; L413-L417 HydrophobicContact CD1-CG 4.26Å; L413-L417 HydrophobicContact CG-CD1 4.09Å; L413-L417 WeakPolarHBondContact O-CG 3.2Å; L413-L417 PolarHBondContact O-N 2.95Å; L413-L417 VanDerWaalsContact O-N 3.11Å; V414-L417 PolarHBondContact O-N 2.69Å; D415-L417 PolarHBondContact O-N 2.77Å; L417-T419 VanDerWaalsContact C-N 3.32Å; L417-T419 PolarHBondContact O-N 3.25Å; L417-G421 VanDerWaalsContact O-CA 3.27Å; L417-G421 WeakPolarHBondContact O-CA 3.47Å; L417-G421 PolarHBondContact O-N 2.9Å; L417-Y426 HydrophobicContact CD2-CD2 3.86Å; L417-Y426 HydrophobicContact CD2-CG 3.86Å; L417-Y426 HydrophobicContact CG-CD2 4.46Å |
| 418 | C | 92.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.034 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.1 | -24.6 | -176.6 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | K354 V414 | K354-C418 PolarHBondContact O-SG 2.94Å; V414-C418 WeakPolarHBondContact O-CB 3.4Å; V414-C418 PolarHBondContact O-N 2.81Å; V414-C418 PolarHBondContact O-SG 3.22Å |
| 419 | T | 88.6 | Confident | 91 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -94.3 | -44.3 | -178.8 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | D415 L417 H593 Q600 R603 I604 | D415-T419 WeakPolarHBondContact O-CB 3.41Å; D415-T419 PolarHBondContact O-N 2.78Å; D415-T419 PolarHBondContact O-OG1 3.1Å; L417-T419 VanDerWaalsContact C-N 3.32Å; L417-T419 PolarHBondContact O-N 3.25Å; T419-H593 PolarHBondContact O-CD2 2.93Å; T419-Q600 HydrophobicContact CG2-CG 3.69Å; T419-Q600 WeakPolarHBondContact OG1-CG 3.5Å; T419-Q600 PolarHBondContact OG1-NE2 3.23Å; T419-R603 HydrophobicContact CG2-CB 4.43Å; T419-I604 HydrophobicContact CG2-CG1 4.03Å |
| 420 | L | 89.1 | Confident | 89.4 | Confident | 79 Ų | 79 | 24.7 Ų | 24.7 | 41% | 0.414 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -100.6 | -21 | -172.4 | -52 | 178.9 | 0 | 0 | 0 | 112.7 | D416 R603 | D416-L420 WeakPolarHBondContact O-CA 3.33Å; D416-L420 VanDerWaalsContact O-CB 3.24Å; D416-L420 WeakPolarHBondContact O-CB 3.11Å; D416-L420 PolarHBondContact O-N 2.76Å; L420-R603 WeakPolarHBondContact CD2-O 3.16Å |
| 421 | G | 91 | Very high | 88.1 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | trans | 67.8 | -166.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L417 | L417-G421 VanDerWaalsContact O-CA 3.27Å; L417-G421 WeakPolarHBondContact O-CA 3.47Å; L417-G421 PolarHBondContact O-N 2.9Å | ||
| 422 | T | 89.1 | Confident | 87.3 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -148.6 | 140.6 | 170.2 | -160.9 | 0 | 0 | 0 | 0 | 112 | F347 E424 | F347-T422 HydrophobicContact CE2-CG2 4.26Å; T422-E424 WeakPolarHBondContact CG2-O 3.43Å; T422-E424 PolarHBondContact OG1-O 2.96Å | ||
| 423 | K | 83.3 | Confident | 86.6 | Confident | 187 Ų | 187 | 32.8 Ų | 32.8 | 81% | 0.813 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -101.6 | -19.8 | 176 | -68.6 | -172.8 | 176.4 | -175.9 | 0 | 113.1 | V272 | V272-K423 WeakPolarHBondContact CB-O 3.42Å; V272-K423 WeakPolarHBondContact CG1-O 3.23Å |
| 424 | E | 84.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 37 Ų | 37 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -130.1 | 167.1 | 175.9 | 62.7 | 178 | 167.3 | 0 | 0 | 108.4 | V272 R275 T422 Y426 | V272-E424 HydrophobicContact CG1-CB 4.05Å; R275-E424 WeakPolarHBondContact CA-OE2 3.44Å; R275-E424 WeakPolarHBondContact CB-OE2 3.44Å; R275-E424 PolarHBondContact N-OE2 3.02Å; R275-E424 IonicContact NE-OE1 3.69Å; T422-E424 WeakPolarHBondContact CG2-O 3.43Å; T422-E424 PolarHBondContact OG1-O 2.96Å; E424-Y426 PolarHBondContact O-N 3.4Å |
| 425 | P | 86.5 | Confident | 85.4 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | trans | -60.9 | 116 | 178.5 | -24.2 | 36.4 | 0 | 0 | 0 | 111.6 | L197 T199 P274 G373 T375 | L197-P425 HydrophobicContact CB-CG 4.24Å; L197-P425 HydrophobicContact CD1-CB 4.49Å; L197-P425 HydrophobicContact CD1-CG 4.14Å; L197-P425 HydrophobicContact CD2-CG 4.11Å; L197-P425 HydrophobicContact CG-CG 4.36Å; T199-P425 HydrophobicContact CG2-CG 4.29Å; P274-P425 HydrophobicContact CB-CB 4.4Å; P274-P425 HydrophobicContact CB-CG 4.35Å; G373-P425 CarbonylContact O-C 3.55Å; G373-P425 VanDerWaalsContact O-CA 3.28Å; G373-P425 WeakPolarHBondContact O-CA 3.31Å; T375-P425 HydrophobicContact CG2-CB 3.33Å | ||
| 426 | Y | 90.9 | Very high | 84.9 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -67 | 137.2 | -177.5 | -177.3 | -67.9 | 0 | 0 | 0 | 110.2 | G373 T374 T375 L413 D416 L417 E424 M428 R432 | G373-Y426 PolarHBondContact O-N 3.43Å; T374-Y426 HydrophobicContact CG2-CD1 4.37Å; T375-Y426 PolarHBondContact N-O 2.9Å; L413-Y426 HydrophobicContact CD1-CD1 3.58Å; L413-Y426 HydrophobicContact CD1-CE1 3.35Å; D416-Y426 HydrophobicContact CB-CE2 3.55Å; D416-Y426 PolarHBondContact OD2-OH 2.88Å; L417-Y426 HydrophobicContact CD2-CD2 3.86Å; L417-Y426 HydrophobicContact CD2-CG 3.86Å; L417-Y426 HydrophobicContact CG-CD2 4.46Å; E424-Y426 PolarHBondContact O-N 3.4Å; Y426-M428 HydrophobicContact CE1-CG 4Å; Y426-M428 HydrophobicContact CE1-SD 3.39Å; Y426-M428 WeakPolarHBondContact CE1-SD 3.35Å; Y426-M428 PolarHBondContact OH-SD 2.88Å; Y426-R432 VanDerWaalsContact CD2-NH1 3.27Å; Y426-R432 VanDerWaalsContact OH-CD 3.27Å; Y426-R432 WeakPolarHBondContact OH-CD 3.3Å; Y426-R432 PolarHBondContact OH-NH1 3.39Å |
| 427 | R | 87.2 | Confident | 84.6 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | trans | -133.2 | 137 | 176.8 | -68.1 | -177.7 | -177.4 | -130.2 | -4.6 | 110.5 | C277 T375 F429 R432 | C277-R427 VanDerWaalsContact CB-NH1 3.27Å; C277-R427 PolarHBondContact SG-NH1 2.98Å; T375-R427 HydrophobicContact CG2-CG 3.47Å; T375-R427 VanDerWaalsContact CG2-CG 3.47Å; R427-F429 HydrophobicContact CB-CD2 4.34Å; R427-F429 HydrophobicContact CB-CE2 3.72Å; R427-F429 HydrophobicContact CB-CZ 4.23Å; R427-R432 PolarHBondContact O-NE 3.3Å | ||
| 428 | M | 88.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -77.1 | 133.7 | 174 | -74.7 | -57.2 | -72.7 | 0 | 0 | 111.2 | L59 E379 Y409 V412 L413 Y426 | L59-M428 HydrophobicContact CD1-CB 4.06Å; L59-M428 HydrophobicContact CD1-CG 3.65Å; L59-M428 HydrophobicContact CG-CG 4.45Å; E379-M428 HydrophobicContact CG-CB 4.13Å; E379-M428 HydrophobicContact CG-CG 3.69Å; E379-M428 PolarHBondContact OE1-N 3.29Å; Y409-M428 HydrophobicContact CD1-CE 3.42Å; Y409-M428 VanDerWaalsContact CD1-CE 3.42Å; Y409-M428 HydrophobicContact CE1-CE 4.29Å; Y409-M428 HydrophobicContact CG-CE 4.25Å; V412-M428 HydrophobicContact CB-CE 4.26Å; V412-M428 HydrophobicContact CG1-CE 4.06Å; L413-M428 HydrophobicContact CB-CE 4.24Å; L413-M428 HydrophobicContact CB-CG 4.27Å; L413-M428 HydrophobicContact CB-SD 3.71Å; L413-M428 HydrophobicContact CD1-CG 3.98Å; L413-M428 HydrophobicContact CD1-SD 3.86Å; L413-M428 HydrophobicContact CG-CG 4.49Å; L413-M428 HydrophobicContact CG-SD 4.34Å; Y426-M428 HydrophobicContact CE1-CG 4Å; Y426-M428 HydrophobicContact CE1-SD 3.39Å; Y426-M428 WeakPolarHBondContact CE1-SD 3.35Å; Y426-M428 PolarHBondContact OH-SD 2.88Å | ||
| 429 | F | 82 | Confident | 84.3 | Confident | 58 Ų | 58 | 45.3 Ų | 45.3 | 25% | 0.254 | 22% | 0.219 | S | C | . | . | trans | -138.2 | 152.2 | 170.4 | -66.2 | -76 | 0 | 0 | 0 | 108.2 | Y276 R427 S431 R432 | Y276-F429 HydrophobicContact CD1-CE2 4.36Å; Y276-F429 AromaticContact CD2-CE2 3.94Å; Y276-F429 HydrophobicContact CD2-CE2 3.94Å; Y276-F429 AromaticContact CG-CE2 3.83Å; Y276-F429 HydrophobicContact CG-CE2 3.83Å; Y276-F429 HydrophobicContact CG-CZ 4.07Å; R427-F429 HydrophobicContact CB-CD2 4.34Å; R427-F429 HydrophobicContact CB-CE2 3.72Å; R427-F429 HydrophobicContact CB-CZ 4.23Å; F429-S431 PolarHBondContact O-N 2.93Å; F429-S431 VanDerWaalsContact O-N 3.14Å; F429-R432 PolarHBondContact O-N 2.87Å; F429-R432 VanDerWaalsContact O-N 3.13Å | ||
| 430 | T | 63.3 | Low | 84.6 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.8 | -179.3 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | I54 Y409 R432 A433 | I54-T430 HydrophobicContact CG2-CG2 3.68Å; I54-T430 WeakPolarHBondContact CG2-OG1 3.37Å; Y409-T430 WeakPolarHBondContact OH-CA 3.36Å; Y409-T430 WeakPolarHBondContact OH-CB 3.05Å; Y409-T430 PolarHBondContact OH-O 3.31Å; T430-R432 PolarHBondContact O-N 3.43Å; T430-A433 PolarHBondContact O-N 2.58Å |
| 431 | S | 70.9 | Confident | 84.9 | Confident | 105 Ų | 105 | 42.2 Ų | 42.2 | 73% | 0.734 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -67.2 | -12.7 | 178.2 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | F429 | F429-S431 PolarHBondContact O-N 2.93Å; F429-S431 VanDerWaalsContact O-N 3.14Å |
| 432 | R | 79.1 | Confident | 85.1 | Confident | 63 Ų | 63 | 43 Ų | 43 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -87.9 | -14.2 | 177.4 | -62.5 | -170.8 | -179.6 | -149.5 | 2.1 | 113.3 | V412 Y426 R427 F429 T430 | V412-R432 HydrophobicContact CG1-CB 4.36Å; Y426-R432 VanDerWaalsContact CD2-NH1 3.27Å; Y426-R432 VanDerWaalsContact OH-CD 3.27Å; Y426-R432 WeakPolarHBondContact OH-CD 3.3Å; Y426-R432 PolarHBondContact OH-NH1 3.39Å; R427-R432 PolarHBondContact O-NE 3.3Å; F429-R432 PolarHBondContact O-N 2.87Å; F429-R432 VanDerWaalsContact O-N 3.13Å; T430-R432 PolarHBondContact O-N 3.43Å |
| 433 | A | 79.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | trans | -94.5 | 117.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y409 V412 T430 Y435 L439 | Y409-A433 HydrophobicContact CD1-CB 3.96Å; Y409-A433 HydrophobicContact CE1-CB 3.28Å; Y409-A433 HydrophobicContact CE2-CB 4.35Å; V412-A433 HydrophobicContact CG2-CB 4.3Å; T430-A433 PolarHBondContact O-N 2.58Å; A433-Y435 PolarHBondContact O-N 3.21Å; A433-L439 HydrophobicContact CB-CD1 4.08Å | ||
| 434 | E | 81.3 | Confident | 86.2 | Confident | 87 Ų | 87 | 33.5 Ų | 33.5 | 41% | 0.407 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.1 | 176.7 | -53.9 | 83.1 | 177.7 | 0 | 0 | 110.9 | R405 Q555 | R405-E434 IonicContact CZ-OE1 2.86Å; R405-E434 IonicContact CZ-OE2 3.34Å; R405-E434 IonicContact NE-OE1 3.48Å; R405-E434 IonicContact NE-OE2 2.7Å; R405-E434 IonicContact NH2-OE1 3.12Å; R405-E434 PolarHBondContact NH2-OE1 3.02Å; R405-E434 IonicContact NH2-OE2 3.84Å; R405-E434 PolarHBondContact NH2-OE2 3.36Å; E434-Q555 PolarHBondContact O-NE2 3.18Å |
| 435 | Y | 84.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 37.7 | -175.6 | -47.3 | -63.2 | 0 | 0 | 0 | 114.2 | A433 L437 M438 L439 Q555 I559 Q562 | A433-Y435 PolarHBondContact O-N 3.21Å; Y435-L437 PolarHBondContact O-N 3.02Å; Y435-M438 PolarHBondContact O-N 3.29Å; Y435-L439 WeakPolarHBondContact O-CG 3.42Å; Y435-L439 PolarHBondContact O-N 2.81Å; Y435-Q555 HydrophobicContact CD1-CG 4.06Å; Y435-Q555 PolarHBondContact O-OE1 2.95Å; Y435-I559 HydrophobicContact CD1-CD1 3.81Å; Y435-I559 HydrophobicContact CD1-CG1 3.24Å; Y435-I559 HydrophobicContact CD2-CG1 4.29Å; Y435-I559 HydrophobicContact CE1-CB 4.2Å; Y435-I559 HydrophobicContact CE1-CD1 4.27Å; Y435-I559 HydrophobicContact CE1-CG1 3.21Å; Y435-I559 HydrophobicContact CE2-CG1 4.25Å; Y435-I559 HydrophobicContact CG-CD1 3.98Å; Y435-I559 HydrophobicContact CG-CG1 3.77Å; Y435-Q562 WeakPolarHBondContact OH-CB 3.39Å; Y435-Q562 WeakPolarHBondContact OH-CG 3.37Å; Y435-Q562 PolarHBondContact OH-NE2 3.39Å; Y435-Q562 PolarHBondContact OH-OE1 2.87Å |
| 436 | R | 83.7 | Confident | 87.3 | Confident | 132 Ų | 132 | 33.8 Ų | 33.8 | 50% | 0.498 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -22.6 | -176.5 | 66.5 | 177.5 | -178.4 | 170.1 | 0.8 | 115.8 | A91 | A91-R436 WeakPolarHBondContact CB-O 3.4Š|
| 437 | L | 85.9 | Confident | 87.6 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -29.6 | 177.6 | -64.9 | 160.6 | 0 | 0 | 0 | 110.8 | A91 Y435 R440 Q555 | A91-L437 HydrophobicContact CB-CD2 3.74Å; A91-L437 HydrophobicContact CB-CG 4.46Å; Y435-L437 PolarHBondContact O-N 3.02Å; L437-R440 VanDerWaalsContact O-CD 3.3Å; L437-R440 WeakPolarHBondContact O-CD 3.49Å; L437-R440 VanDerWaalsContact O-CG 3.26Å; L437-R440 WeakPolarHBondContact O-CG 3.31Å; L437-R440 PolarHBondContact O-NH1 3.14Å; L437-Q555 VanDerWaalsContact CB-OE1 3.24Å |
| 438 | M | 88.4 | Confident | 88.1 | Confident | 35 Ų | 35 | 33 Ų | 33 | 17% | 0.172 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -40.3 | 175.1 | -69.6 | -57.2 | -73.1 | 0 | 0 | 112.2 | Y435 R440 N443 R447 I552 Q555 I559 | Y435-M438 PolarHBondContact O-N 3.29Å; M438-R440 PolarHBondContact O-N 3.15Å; M438-R440 VanDerWaalsContact O-N 3.13Å; M438-N443 PolarHBondContact O-ND2 2.88Å; M438-N443 PolarHBondContact O-OD1 2.88Å; M438-R447 WeakPolarHBondContact O-CD 3.32Å; M438-I552 HydrophobicContact CE-CG2 4.42Å; M438-I552 HydrophobicContact SD-CB 4.2Å; M438-I552 HydrophobicContact SD-CG1 4.18Å; M438-I552 HydrophobicContact SD-CG2 3.59Å; M438-I552 VanDerWaalsContact SD-CG2 3.59Å; M438-Q555 HydrophobicContact CG-CB 4.36Å; M438-Q555 HydrophobicContact CG-CG 3.92Å; M438-I559 HydrophobicContact CB-CD1 4.43Å; M438-I559 HydrophobicContact CG-CD1 3.9Å |
| 439 | L | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -85.6 | 76.9 | -178.7 | -55.8 | -177.7 | 0 | 0 | 0 | 109.7 | R405 S406 Q407 Y409 V412 A433 Y435 | R405-L439 WeakPolarHBondContact O-CD1 3.34Å; S406-L439 WeakPolarHBondContact O-CD2 3.47Å; Q407-L439 WeakPolarHBondContact O-CD2 3.33Å; Y409-L439 HydrophobicContact CD2-CB 3.86Å; Y409-L439 HydrophobicContact CE2-CB 3.68Å; Y409-L439 WeakPolarHBondContact CE2-O 3.37Å; V412-L439 HydrophobicContact CG2-CD1 4.33Å; A433-L439 HydrophobicContact CB-CD1 4.08Å; Y435-L439 WeakPolarHBondContact O-CG 3.42Å; Y435-L439 PolarHBondContact O-N 2.81Å |
| 440 | R | 94.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | trans | -107.8 | 164.3 | -179.7 | -49.7 | -170.8 | -58.4 | -84.5 | -2.5 | 111.1 | L437 M438 D442 N443 R447 | L437-R440 VanDerWaalsContact O-CD 3.3Å; L437-R440 WeakPolarHBondContact O-CD 3.49Å; L437-R440 VanDerWaalsContact O-CG 3.26Å; L437-R440 WeakPolarHBondContact O-CG 3.31Å; L437-R440 PolarHBondContact O-NH1 3.14Å; M438-R440 PolarHBondContact O-N 3.15Å; M438-R440 VanDerWaalsContact O-N 3.13Å; R440-D442 WeakPolarHBondContact CB-OD2 3.02Å; R440-D442 WeakPolarHBondContact CD-OD2 3.4Å; R440-D442 IonicContact CZ-OD1 3.87Å; R440-D442 VanDerWaalsContact CZ-OD1 3.31Å; R440-D442 IonicContact NE-OD1 3.53Å; R440-D442 PolarHBondContact NE-OD1 3.43Å; R440-D442 IonicContact NE-OD2 2.69Å; R440-D442 PolarHBondContact NE-OD2 2.93Å; R440-D442 IonicContact NH2-OD1 3.84Å; R440-D442 PolarHBondContact NH2-OD1 3.29Å; R440-N443 PolarHBondContact N-OD1 2.8Å; R440-N443 VanDerWaalsContact N-OD1 3.13Å; R440-N443 PolarHBondContact O-OD1 3.24Å; R440-R447 PolarHBondContact O-NH2 2.99Å | ||
| 441 | E | 95.3 | Very high | 91 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -66.8 | -41.1 | 172 | -85.1 | -176.6 | -160 | 0 | 0 | 112.2 | G57 H58 K61 A94 T95 F229 N443 | G57-E441 VanDerWaalsContact C-CD 3.47Å; G57-E441 WeakPolarHBondContact CA-OE1 3.29Å; H58-E441 HydrophobicContact CB-CG 4.1Å; H58-E441 IonicContact CE1-OE1 3.13Å; H58-E441 PolarHBondContact CE1-OE1 3.34Å; H58-E441 IonicContact CG-OE1 3.27Å; H58-E441 PolarHBondContact N-OE1 2.94Å; H58-E441 WeakPolarHBondContact ND1-CG 3.4Å; H58-E441 IonicContact ND1-OE1 3.6Å; H58-E441 PolarHBondContact ND1-OE1 3.5Å; K61-E441 HydrophobicContact CB-CG 4.45Å; K61-E441 HydrophobicContact CG-CB 4.1Å; K61-E441 HydrophobicContact CG-CG 4Å; A94-E441 WeakPolarHBondContact CA-OE1 3.35Å; A94-E441 WeakPolarHBondContact CA-OE2 3.25Å; A94-E441 WeakPolarHBondContact CB-OE1 3.47Å; T95-E441 WeakPolarHBondContact CB-OE2 3.49Å; T95-E441 PolarHBondContact N-OE1 3.46Å; T95-E441 PolarHBondContact N-OE2 3.32Å; T95-E441 PolarHBondContact OG1-OE2 2.83Å; F229-E441 WeakPolarHBondContact CZ-O 3.48Å; E441-N443 VanDerWaalsContact C-N 3.26Å; E441-N443 PolarHBondContact O-N 3.13Å |
| 442 | D | 95.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.7 | -174.9 | 56.8 | 88.1 | 0 | 0 | 0 | 114.6 | R440 Q541 I544 | R440-D442 WeakPolarHBondContact CB-OD2 3.02Å; R440-D442 WeakPolarHBondContact CD-OD2 3.4Å; R440-D442 IonicContact CZ-OD1 3.87Å; R440-D442 VanDerWaalsContact CZ-OD1 3.31Å; R440-D442 IonicContact NE-OD1 3.53Å; R440-D442 PolarHBondContact NE-OD1 3.43Å; R440-D442 IonicContact NE-OD2 2.69Å; R440-D442 PolarHBondContact NE-OD2 2.93Å; R440-D442 IonicContact NH2-OD1 3.84Å; R440-D442 PolarHBondContact NH2-OD1 3.29Å; D442-Q541 PolarHBondContact OD1-OE1 3.26Å; D442-I544 HydrophobicContact CB-CD1 3.86Å |
| 443 | N | 96.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 13.9 | -172.4 | 76.8 | -11.6 | 0 | 0 | 0 | 114.1 | M438 R440 E441 D445 L446 R447 | M438-N443 PolarHBondContact O-ND2 2.88Å; M438-N443 PolarHBondContact O-OD1 2.88Å; R440-N443 PolarHBondContact N-OD1 2.8Å; R440-N443 VanDerWaalsContact N-OD1 3.13Å; R440-N443 PolarHBondContact O-OD1 3.24Å; E441-N443 VanDerWaalsContact C-N 3.26Å; E441-N443 PolarHBondContact O-N 3.13Å; N443-D445 PolarHBondContact O-N 2.95Å; N443-L446 HydrophobicContact CB-CB 4.37Å; N443-L446 HydrophobicContact CB-CD1 4.17Å; N443-L446 PolarHBondContact O-N 3.17Å; N443-R447 WeakPolarHBondContact O-CG 3.32Å; N443-R447 PolarHBondContact O-N 3.34Å; N443-R447 PolarHBondContact OD1-NE 3.32Å |
| 444 | A | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -35.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K61 E62 A65 F229 R447 L448 | K61-A444 HydrophobicContact CB-CB 3.9Å; E62-A444 HydrophobicContact CG-CB 3.97Å; A65-A444 VanDerWaalsContact CB-C 3.49Å; A65-A444 HydrophobicContact CB-CB 4.26Å; A65-A444 VanDerWaalsContact CB-O 3.31Å; A65-A444 WeakPolarHBondContact CB-O 3.38Å; F229-A444 HydrophobicContact CE2-CB 3.98Å; F229-A444 HydrophobicContact CZ-CB 3.97Å; A444-R447 PolarHBondContact O-N 3.5Å; A444-L448 WeakPolarHBondContact O-CB 3.03Å; A444-L448 PolarHBondContact O-N 2.77Å |
| 445 | D | 98.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 172 | 59 | -18.8 | 0 | 0 | 0 | 112.6 | A65 F229 N443 R447 L448 T449 F466 K469 | A65-D445 HydrophobicContact CB-CB 4.44Å; F229-D445 HydrophobicContact CD1-CB 4.1Å; F229-D445 HydrophobicContact CD2-CB 3.81Å; F229-D445 HydrophobicContact CE1-CB 4.11Å; F229-D445 HydrophobicContact CE2-CB 3.84Å; F229-D445 HydrophobicContact CG-CB 3.95Å; F229-D445 HydrophobicContact CZ-CB 3.98Å; N443-D445 PolarHBondContact O-N 2.95Å; D445-R447 PolarHBondContact O-N 2.92Å; D445-R447 VanDerWaalsContact O-N 3.17Å; D445-L448 PolarHBondContact O-N 2.93Å; D445-T449 WeakPolarHBondContact CA-OG1 3.21Å; D445-T449 VanDerWaalsContact O-CB 3.27Å; D445-T449 WeakPolarHBondContact O-CB 3.19Å; D445-T449 PolarHBondContact O-N 3.5Å; D445-T449 PolarHBondContact O-OG1 2.79Å; D445-F466 HydrophobicContact CB-CD2 4.33Å; D445-F466 HydrophobicContact CB-CE2 4.5Å; D445-F466 WeakPolarHBondContact O-CE2 3.41Å; D445-K469 IonicContact OD1-NZ 3.11Å; D445-K469 WeakPolarHBondContact OD2-CD 3.46Å; D445-K469 WeakPolarHBondContact OD2-CE 3.47Å; D445-K469 IonicContact OD2-NZ 2.68Å; D445-K469 PolarHBondContact OD2-NZ 3.09Å |
| 446 | L | 96.5 | Very high | 95.1 | Very high | 43 Ų | 43 | 32.6 Ų | 32.6 | 23% | 0.225 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -29.7 | 175.6 | -65.5 | 178.2 | 0 | 0 | 0 | 112.9 | N443 F466 L470 I473 Q541 | N443-L446 HydrophobicContact CB-CB 4.37Å; N443-L446 HydrophobicContact CB-CD1 4.17Å; N443-L446 PolarHBondContact O-N 3.17Å; L446-F466 HydrophobicContact CD2-CE2 4.06Å; L446-L470 HydrophobicContact CD2-CD1 3.85Å; L446-I473 HydrophobicContact CD1-CD1 4.45Å; L446-I473 HydrophobicContact CD2-CD1 4.29Å; L446-Q541 HydrophobicContact CD1-CG 3.77Å |
| 447 | R | 96.7 | Very high | 95.8 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -83.9 | -34.2 | 179.2 | -69 | -177.5 | -68.7 | 118.4 | -7.7 | 113.4 | E62 Q407 M438 R440 N443 A444 D445 | E62-R447 IonicContact OE1-CZ 3.93Å; E62-R447 IonicContact OE1-NH1 2.84Å; E62-R447 PolarHBondContact OE1-NH1 3.41Å; E62-R447 IonicContact OE1-NH2 3.67Å; E62-R447 PolarHBondContact OE1-NH2 3.06Å; Q407-R447 PolarHBondContact O-NH1 3.35Å; M438-R447 WeakPolarHBondContact O-CD 3.32Å; R440-R447 PolarHBondContact O-NH2 2.99Å; N443-R447 WeakPolarHBondContact O-CG 3.32Å; N443-R447 PolarHBondContact O-N 3.34Å; N443-R447 PolarHBondContact OD1-NE 3.32Å; A444-R447 PolarHBondContact O-N 3.5Å; D445-R447 PolarHBondContact O-N 2.92Å; D445-R447 VanDerWaalsContact O-N 3.17Å |
| 448 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -127.9 | -20.3 | -161.9 | -64.2 | 175.7 | 0 | 0 | 0 | 115.4 | E62 A65 L66 W401 A408 A444 D445 E450 I451 G452 | E62-L448 HydrophobicContact CB-CD1 3.62Å; E62-L448 HydrophobicContact CG-CD1 3.6Å; A65-L448 HydrophobicContact CB-CB 3.95Å; L66-L448 HydrophobicContact CD1-CD1 4.3Å; L66-L448 HydrophobicContact CD2-CB 3.97Å; L66-L448 HydrophobicContact CG-CB 4.06Å; L66-L448 HydrophobicContact CG-CD1 4.23Å; W401-L448 HydrophobicContact CH2-CD2 4.36Å; A408-L448 HydrophobicContact CB-CD1 4.03Å; A408-L448 HydrophobicContact CB-CD2 4.19Å; A444-L448 WeakPolarHBondContact O-CB 3.03Å; A444-L448 PolarHBondContact O-N 2.77Å; D445-L448 PolarHBondContact O-N 2.93Å; L448-E450 PolarHBondContact O-N 3.17Å; L448-I451 HydrophobicContact CD2-CD1 4.28Å; L448-I451 PolarHBondContact O-N 3.29Å; L448-G452 PolarHBondContact O-N 2.95Å |
| 449 | T | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67 | -37.3 | -176.1 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | A65 D445 G452 R453 V458 R462 W463 F466 | A65-T449 WeakPolarHBondContact O-CA 3.27Å; A65-T449 PolarHBondContact O-OG1 3.1Å; D445-T449 WeakPolarHBondContact CA-OG1 3.21Å; D445-T449 VanDerWaalsContact O-CB 3.27Å; D445-T449 WeakPolarHBondContact O-CB 3.19Å; D445-T449 PolarHBondContact O-N 3.5Å; D445-T449 PolarHBondContact O-OG1 2.79Å; T449-G452 PolarHBondContact O-N 3.23Å; T449-R453 PolarHBondContact O-N 3.33Å; T449-V458 HydrophobicContact CG2-CG1 4.04Å; T449-V458 HydrophobicContact CG2-CG2 4.17Å; T449-R462 HydrophobicContact CG2-CG 4.39Å; T449-W463 HydrophobicContact CG2-CE3 4.34Å; T449-F466 HydrophobicContact CG2-CB 3.85Å; T449-F466 HydrophobicContact CG2-CD1 3.9Å; T449-F466 HydrophobicContact CG2-CD2 3.94Å; T449-F466 HydrophobicContact CG2-CE1 4.45Å; T449-F466 HydrophobicContact CG2-CE2 4.48Å; T449-F466 HydrophobicContact CG2-CG 3.6Å |
| 450 | E | 97 | Very high | 96.8 | Very high | 67 Ų | 67 | 31.4 Ų | 31.4 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 172.5 | -171.2 | 174.9 | 175.9 | 0 | 0 | 111.6 | L448 G452 R453 E454 W463 N675 | L448-E450 PolarHBondContact O-N 3.17Å; E450-G452 PolarHBondContact O-N 2.74Å; E450-R453 WeakPolarHBondContact O-CB 3.2Å; E450-R453 PolarHBondContact O-N 3.5Å; E450-E454 PolarHBondContact O-N 3.31Å; E450-W463 HydrophobicContact CB-CH2 4.49Å; E450-W463 HydrophobicContact CB-CZ3 4.37Å; E450-W463 HydrophobicContact CG-CH2 4.26Å; E450-N675 PolarHBondContact OE1-ND2 2.85Å |
| 451 | I | 97.4 | Very high | 97 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 16% | 0.159 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 175.4 | -59.9 | 175.6 | 0 | 0 | 0 | 110.5 | W401 L448 R453 E454 L455 | W401-I451 HydrophobicContact CH2-CG2 4.11Å; W401-I451 HydrophobicContact CZ2-CD1 4.45Å; W401-I451 HydrophobicContact CZ2-CG2 3.68Å; L448-I451 HydrophobicContact CD2-CD1 4.28Å; L448-I451 PolarHBondContact O-N 3.29Å; I451-R453 PolarHBondContact O-N 3.32Å; I451-E454 PolarHBondContact O-N 2.84Å; I451-L455 HydrophobicContact CG2-CD1 3.65Å; I451-L455 HydrophobicContact CG2-CG 4.24Å; I451-L455 WeakPolarHBondContact O-CB 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.33Å; I451-L455 PolarHBondContact O-N 2.98Å |
| 452 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L448 T449 E450 G456 L457 V458 | L448-G452 PolarHBondContact O-N 2.95Å; T449-G452 PolarHBondContact O-N 3.23Å; E450-G452 PolarHBondContact O-N 2.74Å; G452-G456 PolarHBondContact O-N 3.42Å; G452-G456 VanDerWaalsContact O-N 3.17Å; G452-L457 PolarHBondContact O-N 2.76Å; G452-V458 PolarHBondContact O-N 2.97Å |
| 453 | R | 97.5 | Very high | 97.2 | Very high | 85 Ų | 85 | 39.4 Ų | 39.4 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.6 | -47.8 | 173.5 | -175.5 | 61.4 | 177.8 | -174.7 | -2.4 | 111.8 | T449 E450 I451 L455 G456 V458 D460 W463 | T449-R453 PolarHBondContact O-N 3.33Å; E450-R453 WeakPolarHBondContact O-CB 3.2Å; E450-R453 PolarHBondContact O-N 3.5Å; I451-R453 PolarHBondContact O-N 3.32Å; R453-L455 PolarHBondContact O-N 2.9Å; R453-G456 PolarHBondContact O-N 3.11Å; R453-G456 VanDerWaalsContact O-N 3.09Å; R453-V458 HydrophobicContact CB-CB 4.21Å; R453-V458 HydrophobicContact CB-CG1 4.49Å; R453-V458 PolarHBondContact NH1-O 2.9Å; R453-D460 IonicContact CZ-OD1 2.67Å; R453-D460 IonicContact NH1-OD1 3.3Å; R453-D460 PolarHBondContact NH1-OD1 2.61Å; R453-D460 IonicContact NH2-OD1 3.37Å; R453-D460 PolarHBondContact NH2-OD1 2.87Å; R453-W463 HydrophobicContact CB-CD2 4.27Å; R453-W463 HydrophobicContact CB-CE3 3.75Å; R453-W463 HydrophobicContact CB-CZ3 3.9Å; R453-W463 HydrophobicContact CG-CD2 3.79Å; R453-W463 HydrophobicContact CG-CE3 3.82Å; R453-W463 HydrophobicContact CG-CG 4.31Å; R453-W463 HydrophobicContact CG-CH2 4.48Å; R453-W463 HydrophobicContact CG-CZ2 4.45Å; R453-W463 HydrophobicContact CG-CZ3 4.18Å |
| 454 | E | 95.4 | Very high | 97.2 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 47% | 0.467 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.8 | -33.2 | 175.8 | -69.5 | -171.4 | -177.6 | 0 | 0 | 112.6 | E450 I451 R680 | E450-E454 PolarHBondContact O-N 3.31Å; I451-E454 PolarHBondContact O-N 2.84Å; E454-R680 VanDerWaalsContact CD-NH2 3.27Å; E454-R680 IonicContact OE1-NH2 2.76Å; E454-R680 PolarHBondContact OE1-NH2 2.77Å; E454-R680 IonicContact OE2-CZ 2.85Å; E454-R680 IonicContact OE2-NH1 2.66Å; E454-R680 IonicContact OE2-NH2 3.71Å; E454-R680 PolarHBondContact OE2-NH2 2.71Å |
| 455 | L | 96.5 | Very high | 97.2 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -83.1 | -11.5 | 179.5 | -67.5 | 172.1 | 0 | 0 | 0 | 113.9 | M28 L389 R393 W401 I451 R453 | M28-L455 WeakPolarHBondContact CE-O 3.39Å; L389-L455 HydrophobicContact CD1-CB 3.99Å; L389-L455 HydrophobicContact CD1-CD1 4.37Å; L389-L455 HydrophobicContact CD1-CD2 4.37Å; L389-L455 HydrophobicContact CD1-CG 4.48Å; L389-L455 HydrophobicContact CD2-CD1 3.75Å; R393-L455 VanDerWaalsContact NH1-CD2 3.32Å; W401-L455 HydrophobicContact CB-CD1 4.46Å; W401-L455 HydrophobicContact CB-CD2 4.27Å; W401-L455 HydrophobicContact CD2-CD1 3.75Å; W401-L455 HydrophobicContact CE3-CD1 3.59Å; W401-L455 HydrophobicContact CG-CD1 4.16Å; W401-L455 HydrophobicContact CZ3-CD1 3.99Å; I451-L455 HydrophobicContact CG2-CD1 3.65Å; I451-L455 HydrophobicContact CG2-CG 4.24Å; I451-L455 WeakPolarHBondContact O-CB 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.33Å; I451-L455 PolarHBondContact O-N 2.98Å; R453-L455 PolarHBondContact O-N 2.9Å |
| 456 | G | 95.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 19.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G452 R453 | G452-G456 PolarHBondContact O-N 3.42Å; G452-G456 VanDerWaalsContact O-N 3.17Å; R453-G456 PolarHBondContact O-N 3.11Å; R453-G456 VanDerWaalsContact O-N 3.09Å |
| 457 | L | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | trans | -94.4 | -27.8 | 178.4 | -61.9 | 173.1 | 0 | 0 | 0 | 113.4 | A24 M28 L66 L385 L389 G452 | A24-L457 HydrophobicContact CB-CD2 3.73Å; M28-L457 HydrophobicContact CG-CD2 3.77Å; M28-L457 HydrophobicContact CG-CG 4.46Å; M28-L457 HydrophobicContact SD-CD2 3.71Å; M28-L457 HydrophobicContact SD-CG 4.4Å; L66-L457 WeakPolarHBondContact O-CB 3.46Å; L385-L457 HydrophobicContact CD2-CD1 4.02Å; L389-L457 HydrophobicContact CB-CD1 4.44Å; L389-L457 HydrophobicContact CD1-CD1 4.15Å; L389-L457 HydrophobicContact CD1-CD2 4.42Å; L389-L457 HydrophobicContact CD1-CG 4.28Å; L389-L457 HydrophobicContact CD2-CD1 4.19Å; L389-L457 HydrophobicContact CG-CD1 4.49Å; G452-L457 PolarHBondContact O-N 2.76Å | ||
| 458 | V | 97.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -89.6 | 119.5 | -176.8 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | T449 G452 R453 R462 W463 | T449-V458 HydrophobicContact CG2-CG1 4.04Å; T449-V458 HydrophobicContact CG2-CG2 4.17Å; G452-V458 PolarHBondContact O-N 2.97Å; R453-V458 HydrophobicContact CB-CB 4.21Å; R453-V458 HydrophobicContact CB-CG1 4.49Å; R453-V458 PolarHBondContact NH1-O 2.9Å; V458-R462 HydrophobicContact CG1-CB 4.05Å; V458-R462 HydrophobicContact CG1-CG 3.96Å; V458-W463 HydrophobicContact CG1-CB 4.17Å |
| 459 | D | 95.8 | Very high | 97.1 | Very high | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | trans | -68.2 | 166.4 | 174.8 | 62.9 | 47.5 | 0 | 0 | 0 | 112.9 | E461 R462 W463 | D459-E461 PolarHBondContact O-N 3.17Å; D459-E461 PolarHBondContact OD1-N 2.79Å; D459-R462 VanDerWaalsContact OD1-CB 3.22Å; D459-R462 WeakPolarHBondContact OD1-CB 3.44Å; D459-R462 PolarHBondContact OD1-N 2.98Å; D459-W463 WeakPolarHBondContact O-CB 3.18Å; D459-W463 PolarHBondContact O-N 2.82Å | ||
| 460 | D | 95.9 | Very high | 97 | Very high | 111 Ų | 111 | 51.3 Ų | 51.3 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.6 | -34 | -175.9 | -66.2 | -20.6 | 0 | 0 | 0 | 112.8 | R453 W463 A464 | R453-D460 IonicContact CZ-OD1 2.67Å; R453-D460 IonicContact NH1-OD1 3.3Å; R453-D460 PolarHBondContact NH1-OD1 2.61Å; R453-D460 IonicContact NH2-OD1 3.37Å; R453-D460 PolarHBondContact NH2-OD1 2.87Å; D460-W463 PolarHBondContact O-N 2.99Å; D460-A464 WeakPolarHBondContact O-CB 3.44Å; D460-A464 PolarHBondContact O-N 3.43Å |
| 461 | E | 97.1 | Very high | 96.9 | Very high | 136 Ų | 136 | 53.9 Ų | 53.9 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.2 | -50 | 178.6 | -173.9 | -168.7 | 175.4 | 0 | 0 | 110.8 | M230 D459 W463 A464 R465 | M230-E461 HydrophobicContact CE-CG 3.94Å; D459-E461 PolarHBondContact O-N 3.17Å; D459-E461 PolarHBondContact OD1-N 2.79Å; E461-W463 VanDerWaalsContact C-N 3.35Å; E461-A464 PolarHBondContact O-N 3.33Å; E461-R465 PolarHBondContact O-N 3.22Å; E461-R465 VanDerWaalsContact O-N 3.1Å |
| 462 | R | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.3 | 179 | -179.4 | -63.6 | -91 | 11.5 | 111.4 | D64 M230 T449 V458 D459 A464 R465 F466 | D64-R462 VanDerWaalsContact CG-NH2 3.34Å; D64-R462 PolarHBondContact O-NH1 3.34Å; D64-R462 PolarHBondContact O-NH2 2.87Å; D64-R462 IonicContact OD1-CZ 2.76Å; D64-R462 IonicContact OD1-NH1 3.29Å; D64-R462 IonicContact OD1-NH2 3.48Å; D64-R462 PolarHBondContact OD1-NH2 3.29Å; D64-R462 IonicContact OD2-CZ 3.01Å; D64-R462 IonicContact OD2-NH1 3.31Å; D64-R462 PolarHBondContact OD2-NH1 2.85Å; D64-R462 IonicContact OD2-NH2 2.78Å; D64-R462 PolarHBondContact OD2-NH2 2.9Å; M230-R462 HydrophobicContact CE-CB 4.38Å; M230-R462 HydrophobicContact CG-CB 4.3Å; M230-R462 HydrophobicContact CG-CG 4.25Å; M230-R462 HydrophobicContact SD-CB 4.02Å; M230-R462 HydrophobicContact SD-CG 4.02Å; T449-R462 HydrophobicContact CG2-CG 4.39Å; V458-R462 HydrophobicContact CG1-CB 4.05Å; V458-R462 HydrophobicContact CG1-CG 3.96Å; D459-R462 VanDerWaalsContact OD1-CB 3.22Å; D459-R462 WeakPolarHBondContact OD1-CB 3.44Å; D459-R462 PolarHBondContact OD1-N 2.98Å; R462-A464 VanDerWaalsContact C-N 3.34Å; R462-A464 PolarHBondContact O-N 3.06Å; R462-R465 PolarHBondContact O-N 2.93Å; R462-F466 VanDerWaalsContact O-CB 3.23Å; R462-F466 WeakPolarHBondContact O-CB 3.23Å; R462-F466 PolarHBondContact O-N 2.87Å |
| 463 | W | 98 | Very high | 96.8 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 178.4 | -175.3 | -116.3 | 0 | 0 | 0 | 111.8 | T449 E450 R453 V458 D459 D460 E461 F466 N467 | T449-W463 HydrophobicContact CG2-CE3 4.34Å; E450-W463 HydrophobicContact CB-CH2 4.49Å; E450-W463 HydrophobicContact CB-CZ3 4.37Å; E450-W463 HydrophobicContact CG-CH2 4.26Å; R453-W463 HydrophobicContact CB-CD2 4.27Å; R453-W463 HydrophobicContact CB-CE3 3.75Å; R453-W463 HydrophobicContact CB-CZ3 3.9Å; R453-W463 HydrophobicContact CG-CD2 3.79Å; R453-W463 HydrophobicContact CG-CE3 3.82Å; R453-W463 HydrophobicContact CG-CG 4.31Å; R453-W463 HydrophobicContact CG-CH2 4.48Å; R453-W463 HydrophobicContact CG-CZ2 4.45Å; R453-W463 HydrophobicContact CG-CZ3 4.18Å; V458-W463 HydrophobicContact CG1-CB 4.17Å; D459-W463 WeakPolarHBondContact O-CB 3.18Å; D459-W463 PolarHBondContact O-N 2.82Å; D460-W463 PolarHBondContact O-N 2.99Å; E461-W463 VanDerWaalsContact C-N 3.35Å; W463-F466 AromaticContact CE3-CD1 3.8Å; W463-F466 HydrophobicContact CE3-CD1 3.8Å; W463-F466 HydrophobicContact CE3-CE1 4.44Å; W463-F466 HydrophobicContact CH2-CD1 4.19Å; W463-F466 HydrophobicContact CH2-CE1 4.15Å; W463-F466 AromaticContact CZ3-CD1 3.46Å; W463-F466 HydrophobicContact CZ3-CD1 3.46Å; W463-F466 VanDerWaalsContact CZ3-CD1 3.46Å; W463-F466 AromaticContact CZ3-CE1 3.66Å; W463-F466 HydrophobicContact CZ3-CE1 3.66Å; W463-F466 PolarHBondContact O-N 3.32Å; W463-N467 VanDerWaalsContact CD2-ND2 3.3Å; W463-N467 WeakPolarHBondContact CZ2-ND2 3.36Å; W463-N467 PolarHBondContact NE1-ND2 3.35Å; W463-N467 PolarHBondContact O-N 2.8Å; W463-N467 VanDerWaalsContact O-N 3.09Å; W463-N467 PolarHBondContact O-ND2 3.23Å |
| 464 | A | 96.8 | Very high | 96.6 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D460 E461 R462 F466 N467 E468 | D460-A464 WeakPolarHBondContact O-CB 3.44Å; D460-A464 PolarHBondContact O-N 3.43Å; E461-A464 PolarHBondContact O-N 3.33Å; R462-A464 VanDerWaalsContact C-N 3.34Å; R462-A464 PolarHBondContact O-N 3.06Å; A464-F466 VanDerWaalsContact C-N 3.3Å; A464-F466 PolarHBondContact O-N 3.33Å; A464-N467 PolarHBondContact O-N 3.22Å; A464-E468 PolarHBondContact O-N 3.14Å |
| 465 | R | 98.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 178.5 | 175.1 | 58.5 | -168.8 | 130.1 | 5.6 | 112.8 | M230 E461 R462 E468 K469 D535 | M230-R465 HydrophobicContact CE-CB 3.75Å; M230-R465 HydrophobicContact CE-CG 4.07Å; M230-R465 HydrophobicContact SD-CB 3.77Å; M230-R465 HydrophobicContact SD-CG 3.69Å; E461-R465 PolarHBondContact O-N 3.22Å; E461-R465 VanDerWaalsContact O-N 3.1Å; R462-R465 PolarHBondContact O-N 2.93Å; R465-E468 WeakPolarHBondContact CD-OE2 3.42Å; R465-E468 IonicContact CZ-OE2 2.74Å; R465-E468 IonicContact NH1-OE2 3.32Å; R465-E468 PolarHBondContact NH1-OE2 3.13Å; R465-K469 WeakPolarHBondContact O-CB 3.4Å; R465-K469 PolarHBondContact O-N 3.33Å; R465-D535 IonicContact CZ-OD1 3.48Å; R465-D535 IonicContact CZ-OD2 2.61Å; R465-D535 IonicContact NH1-OD1 3.43Å; R465-D535 IonicContact NH1-OD2 2.85Å; R465-D535 PolarHBondContact NH1-OD2 3.39Å; R465-D535 VanDerWaalsContact NH2-CG 3.34Å; R465-D535 IonicContact NH2-OD1 2.86Å; R465-D535 PolarHBondContact NH2-OD1 3.44Å; R465-D535 IonicContact NH2-OD2 2.8Å; R465-D535 PolarHBondContact NH2-OD2 2.99Å |
| 466 | F | 97.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 177.1 | 170.5 | -107.1 | 0 | 0 | 0 | 112.4 | D445 L446 T449 R462 W463 A464 K469 L470 | D445-F466 HydrophobicContact CB-CD2 4.33Å; D445-F466 HydrophobicContact CB-CE2 4.5Å; D445-F466 WeakPolarHBondContact O-CE2 3.41Å; L446-F466 HydrophobicContact CD2-CE2 4.06Å; T449-F466 HydrophobicContact CG2-CB 3.85Å; T449-F466 HydrophobicContact CG2-CD1 3.9Å; T449-F466 HydrophobicContact CG2-CD2 3.94Å; T449-F466 HydrophobicContact CG2-CE1 4.45Å; T449-F466 HydrophobicContact CG2-CE2 4.48Å; T449-F466 HydrophobicContact CG2-CG 3.6Å; R462-F466 VanDerWaalsContact O-CB 3.23Å; R462-F466 WeakPolarHBondContact O-CB 3.23Å; R462-F466 PolarHBondContact O-N 2.87Å; W463-F466 AromaticContact CE3-CD1 3.8Å; W463-F466 HydrophobicContact CE3-CD1 3.8Å; W463-F466 HydrophobicContact CE3-CE1 4.44Å; W463-F466 HydrophobicContact CH2-CD1 4.19Å; W463-F466 HydrophobicContact CH2-CE1 4.15Å; W463-F466 AromaticContact CZ3-CD1 3.46Å; W463-F466 HydrophobicContact CZ3-CD1 3.46Å; W463-F466 VanDerWaalsContact CZ3-CD1 3.46Å; W463-F466 AromaticContact CZ3-CE1 3.66Å; W463-F466 HydrophobicContact CZ3-CE1 3.66Å; W463-F466 PolarHBondContact O-N 3.32Å; A464-F466 VanDerWaalsContact C-N 3.3Å; A464-F466 PolarHBondContact O-N 3.33Å; F466-K469 PolarHBondContact O-N 2.82Å; F466-L470 WeakPolarHBondContact O-CB 3.46Å; F466-L470 PolarHBondContact O-N 2.92Å |
| 467 | N | 96.1 | Very high | 96.6 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.3 | -75.2 | -71.7 | 0 | 0 | 0 | 111.7 | W463 A464 K469 L470 E471 | W463-N467 VanDerWaalsContact CD2-ND2 3.3Å; W463-N467 WeakPolarHBondContact CZ2-ND2 3.36Å; W463-N467 PolarHBondContact NE1-ND2 3.35Å; W463-N467 PolarHBondContact O-N 2.8Å; W463-N467 VanDerWaalsContact O-N 3.09Å; W463-N467 PolarHBondContact O-ND2 3.23Å; A464-N467 PolarHBondContact O-N 3.22Å; N467-K469 PolarHBondContact O-N 2.84Å; N467-L470 PolarHBondContact O-N 3.19Å; N467-E471 WeakPolarHBondContact O-CB 3.35Å; N467-E471 WeakPolarHBondContact O-CG 3.39Å; N467-E471 PolarHBondContact O-N 2.72Å |
| 468 | E | 97 | Very high | 96.5 | Very high | 98 Ų | 98 | 55.6 Ų | 55.6 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.9 | -50.5 | 173.6 | -177.6 | -164.3 | -160.6 | 0 | 0 | 111.2 | A464 R465 L470 E471 N472 | A464-E468 PolarHBondContact O-N 3.14Å; R465-E468 WeakPolarHBondContact CD-OE2 3.42Å; R465-E468 IonicContact CZ-OE2 2.74Å; R465-E468 IonicContact NH1-OE2 3.32Å; R465-E468 PolarHBondContact NH1-OE2 3.13Å; E468-L470 VanDerWaalsContact C-N 3.33Å; E468-L470 PolarHBondContact O-N 3.41Å; E468-E471 PolarHBondContact O-N 3.24Å; E468-N472 VanDerWaalsContact O-CB 3.32Å; E468-N472 WeakPolarHBondContact O-CB 3.05Å; E468-N472 PolarHBondContact O-N 2.83Å; E468-N472 PolarHBondContact O-ND2 3.13Å |
| 469 | K | 98 | Very high | 96.4 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 176 | 179.1 | -178.1 | 174.6 | 179.3 | 0 | 111.4 | D445 R465 F466 N467 N472 I473 Q537 A538 | D445-K469 IonicContact OD1-NZ 3.11Å; D445-K469 WeakPolarHBondContact OD2-CD 3.46Å; D445-K469 WeakPolarHBondContact OD2-CE 3.47Å; D445-K469 IonicContact OD2-NZ 2.68Å; D445-K469 PolarHBondContact OD2-NZ 3.09Å; R465-K469 WeakPolarHBondContact O-CB 3.4Å; R465-K469 PolarHBondContact O-N 3.33Å; F466-K469 PolarHBondContact O-N 2.82Å; N467-K469 PolarHBondContact O-N 2.84Å; K469-N472 PolarHBondContact O-N 3.47Å; K469-I473 HydrophobicContact CG-CD1 3.88Å; K469-I473 WeakPolarHBondContact O-CD1 3.38Å; K469-I473 VanDerWaalsContact O-CG1 3.23Å; K469-I473 WeakPolarHBondContact O-CG1 3.26Å; K469-I473 PolarHBondContact O-N 3.25Å; K469-Q537 HydrophobicContact CD-CB 4.11Å; K469-A538 HydrophobicContact CG-CB 4.32Å |
| 470 | L | 95.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | -179.1 | -177 | 65.9 | 0 | 0 | 0 | 111.9 | L446 F466 N467 E468 I473 E474 | L446-L470 HydrophobicContact CD2-CD1 3.85Å; F466-L470 WeakPolarHBondContact O-CB 3.46Å; F466-L470 PolarHBondContact O-N 2.92Å; N467-L470 PolarHBondContact O-N 3.19Å; E468-L470 VanDerWaalsContact C-N 3.33Å; E468-L470 PolarHBondContact O-N 3.41Å; L470-I473 PolarHBondContact O-N 3.21Å; L470-E474 PolarHBondContact O-N 3.17Å; L470-E474 VanDerWaalsContact O-N 3.13Å |
| 471 | E | 95.1 | Very high | 96.5 | Very high | 122 Ų | 122 | 53.3 Ų | 53.3 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.8 | -41.2 | 176.6 | -72.1 | -179.5 | -171.9 | 0 | 0 | 112 | N467 E468 I473 E474 R475 | N467-E471 WeakPolarHBondContact O-CB 3.35Å; N467-E471 WeakPolarHBondContact O-CG 3.39Å; N467-E471 PolarHBondContact O-N 2.72Å; E468-E471 PolarHBondContact O-N 3.24Å; E471-I473 PolarHBondContact O-N 3.16Å; E471-E474 PolarHBondContact O-N 2.87Å; E471-R475 VanDerWaalsContact O-CB 3.27Å; E471-R475 WeakPolarHBondContact O-CB 3.33Å; E471-R475 PolarHBondContact O-N 3.26Å |
| 472 | N | 97.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 176.4 | -74.7 | -17.4 | 0 | 0 | 0 | 111.6 | E468 K469 R475 E476 L533 D535 A538 | E468-N472 VanDerWaalsContact O-CB 3.32Å; E468-N472 WeakPolarHBondContact O-CB 3.05Å; E468-N472 PolarHBondContact O-N 2.83Å; E468-N472 PolarHBondContact O-ND2 3.13Å; K469-N472 PolarHBondContact O-N 3.47Å; N472-R475 PolarHBondContact OD1-NH1 3.22Å; N472-R475 PolarHBondContact OD1-NH2 3.05Å; N472-E476 VanDerWaalsContact O-CB 3.27Å; N472-E476 WeakPolarHBondContact O-CB 3.44Å; N472-E476 PolarHBondContact O-N 3.37Å; N472-L533 HydrophobicContact CB-CD2 4.33Å; N472-D535 PolarHBondContact ND2-OD2 3.24Å; N472-A538 HydrophobicContact CB-CB 3.73Å |
| 473 | I | 95.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 176.4 | -67.9 | 160.3 | 0 | 0 | 0 | 110.7 | L446 K469 L470 E471 E476 R477 A538 Q541 V542 | L446-I473 HydrophobicContact CD1-CD1 4.45Å; L446-I473 HydrophobicContact CD2-CD1 4.29Å; K469-I473 HydrophobicContact CG-CD1 3.88Å; K469-I473 WeakPolarHBondContact O-CD1 3.38Å; K469-I473 VanDerWaalsContact O-CG1 3.23Å; K469-I473 WeakPolarHBondContact O-CG1 3.26Å; K469-I473 PolarHBondContact O-N 3.25Å; L470-I473 PolarHBondContact O-N 3.21Å; E471-I473 PolarHBondContact O-N 3.16Å; I473-E476 PolarHBondContact O-N 2.82Å; I473-R477 WeakPolarHBondContact O-CB 3.47Å; I473-R477 WeakPolarHBondContact O-CG 3.34Å; I473-R477 PolarHBondContact O-N 3.46Å; I473-A538 HydrophobicContact CG1-CB 3.8Å; I473-Q541 HydrophobicContact CD1-CB 3.87Å; I473-Q541 HydrophobicContact CD1-CG 3.62Å; I473-Q541 HydrophobicContact CG1-CB 4.2Å; I473-Q541 HydrophobicContact CG1-CG 4.27Å; I473-V542 HydrophobicContact CB-CG2 4.36Å; I473-V542 HydrophobicContact CG1-CG2 4.46Å; I473-V542 HydrophobicContact CG2-CG2 4.08Å |
| 474 | E | 94.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | -176.9 | -175.8 | 61.1 | -155.2 | 0 | 0 | 111.1 | L470 E471 E476 R477 Q478 | L470-E474 PolarHBondContact O-N 3.17Å; L470-E474 VanDerWaalsContact O-N 3.13Å; E471-E474 PolarHBondContact O-N 2.87Å; E474-E476 VanDerWaalsContact C-N 3.32Å; E474-E476 PolarHBondContact O-N 3.5Å; E474-R477 PolarHBondContact O-N 3.31Å; E474-Q478 WeakPolarHBondContact O-CG 3.48Å; E474-Q478 PolarHBondContact O-N 2.84Å; E474-Q478 PolarHBondContact OE1-NE2 3.09Å |
| 475 | R | 94.9 | Very high | 95.9 | Very high | 132 Ų | 132 | 52.3 Ų | 52.3 | 50% | 0.498 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 178.1 | -174.8 | 171.3 | 66.4 | -117.5 | 0.7 | 111.5 | E471 N472 Q478 R479 | E471-R475 VanDerWaalsContact O-CB 3.27Å; E471-R475 WeakPolarHBondContact O-CB 3.33Å; E471-R475 PolarHBondContact O-N 3.26Å; N472-R475 PolarHBondContact OD1-NH1 3.22Å; N472-R475 PolarHBondContact OD1-NH2 3.05Å; R475-Q478 PolarHBondContact O-N 2.98Å; R475-R479 PolarHBondContact O-N 3.19Å |
| 476 | E | 97.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.6 | -38.7 | -179.6 | -178.1 | 59.9 | -175.9 | 0 | 0 | 112.3 | N472 I473 E474 Q478 R479 L480 Y520 L533 V542 | N472-E476 VanDerWaalsContact O-CB 3.27Å; N472-E476 WeakPolarHBondContact O-CB 3.44Å; N472-E476 PolarHBondContact O-N 3.37Å; I473-E476 PolarHBondContact O-N 2.82Å; E474-E476 VanDerWaalsContact C-N 3.32Å; E474-E476 PolarHBondContact O-N 3.5Å; E476-Q478 VanDerWaalsContact C-N 3.33Å; E476-Q478 PolarHBondContact O-N 3.06Å; E476-R479 PolarHBondContact O-N 3.04Å; E476-R479 IonicContact OE1-CZ 3.6Å; E476-R479 IonicContact OE1-NE 2.73Å; E476-R479 PolarHBondContact OE1-NE 3Å; E476-R479 IonicContact OE1-NH2 3.48Å; E476-R479 PolarHBondContact OE1-NH2 3.25Å; E476-R479 IonicContact OE2-CZ 2.94Å; E476-R479 IonicContact OE2-NE 3.66Å; E476-R479 PolarHBondContact OE2-NE 3.28Å; E476-R479 IonicContact OE2-NH2 3.66Å; E476-L480 WeakPolarHBondContact O-CG 3.11Å; E476-L480 PolarHBondContact O-N 3.11Å; E476-Y520 HydrophobicContact CG-CE2 4.02Å; E476-Y520 VanDerWaalsContact OE1-CE2 3.23Å; E476-Y520 WeakPolarHBondContact OE1-CE2 3.28Å; E476-Y520 PolarHBondContact OE1-OH 3.43Å; E476-L533 HydrophobicContact CB-CD2 4.2Å; E476-L533 HydrophobicContact CG-CD2 4.35Å; E476-V542 HydrophobicContact CB-CG2 4.01Å; E476-V542 HydrophobicContact CG-CG1 4.17Å; E476-V542 HydrophobicContact CG-CG2 4.01Å |
| 477 | R | 94.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 172.2 | -78.4 | -156.8 | 66.1 | -171.6 | -1.4 | 112.2 | I473 E474 L480 K481 E510 V542 E549 | I473-R477 WeakPolarHBondContact O-CB 3.47Å; I473-R477 WeakPolarHBondContact O-CG 3.34Å; I473-R477 PolarHBondContact O-N 3.46Å; E474-R477 PolarHBondContact O-N 3.31Å; R477-L480 PolarHBondContact O-N 3.46Å; R477-K481 VanDerWaalsContact NH2-NZ 3.18Å; R477-K481 WeakPolarHBondContact O-CG 3.39Å; R477-K481 PolarHBondContact O-N 3.39Å; R477-K481 VanDerWaalsContact O-N 3.08Å; R477-E510 IonicContact CZ-OE2 3.57Å; R477-E510 IonicContact NE-OE2 3.77Å; R477-E510 PolarHBondContact NE-OE2 3.3Å; R477-E510 VanDerWaalsContact NE-OE2 3.15Å; R477-E510 IonicContact NH2-OE1 3.23Å; R477-E510 IonicContact NH2-OE2 2.76Å; R477-E510 PolarHBondContact NH2-OE2 2.94Å; R477-V542 HydrophobicContact CG-CG1 4.3Å; R477-V542 HydrophobicContact CG-CG2 4.29Å; R477-E549 IonicContact CZ-OE1 3.09Å; R477-E549 IonicContact NH1-OE1 3.65Å; R477-E549 IonicContact NH2-OE1 2.65Å; R477-E549 PolarHBondContact NH2-OE1 3.31Å; R477-E549 IonicContact NH2-OE2 3.42Å |
| 478 | Q | 95 | Very high | 94.6 | Very high | 60 Ų | 60 | 58 Ų | 58 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.3 | -66.5 | -57.2 | -28.2 | 0 | 0 | 111.2 | E474 R475 E476 L480 K481 S482 | E474-Q478 WeakPolarHBondContact O-CG 3.48Å; E474-Q478 PolarHBondContact O-N 2.84Å; E474-Q478 PolarHBondContact OE1-NE2 3.09Å; R475-Q478 PolarHBondContact O-N 2.98Å; E476-Q478 VanDerWaalsContact C-N 3.33Å; E476-Q478 PolarHBondContact O-N 3.06Å; Q478-L480 PolarHBondContact O-N 3Å; Q478-K481 PolarHBondContact O-N 2.84Å; Q478-S482 WeakPolarHBondContact O-CB 3.33Å; Q478-S482 PolarHBondContact O-N 2.84Å; Q478-S482 PolarHBondContact O-OG 2.61Å; Q478-S482 VanDerWaalsContact O-OG 3.1Å |
| 479 | R | 97 | Very high | 93.9 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.7 | -169 | -169.6 | 73.4 | 93.2 | -2.8 | 112.3 | R475 E476 K481 S482 T483 F529 | R475-R479 PolarHBondContact O-N 3.19Å; E476-R479 PolarHBondContact O-N 3.04Å; E476-R479 IonicContact OE1-CZ 3.6Å; E476-R479 IonicContact OE1-NE 2.73Å; E476-R479 PolarHBondContact OE1-NE 3Å; E476-R479 IonicContact OE1-NH2 3.48Å; E476-R479 PolarHBondContact OE1-NH2 3.25Å; E476-R479 IonicContact OE2-CZ 2.94Å; E476-R479 IonicContact OE2-NE 3.66Å; E476-R479 PolarHBondContact OE2-NE 3.28Å; E476-R479 IonicContact OE2-NH2 3.66Å; R479-K481 VanDerWaalsContact C-N 3.29Å; R479-K481 PolarHBondContact O-N 3.17Å; R479-S482 PolarHBondContact O-N 3.43Å; R479-S482 PolarHBondContact O-OG 2.73Å; R479-T483 VanDerWaalsContact O-CB 3.31Å; R479-T483 WeakPolarHBondContact O-CB 3.4Å; R479-T483 PolarHBondContact O-N 2.87Å; R479-T483 PolarHBondContact O-OG1 2.92Å; R479-F529 PolarHBondContact NH1-O 3.13Å; R479-F529 PolarHBondContact NH2-O 3.41Å |
| 480 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -29.9 | 179.1 | -72.6 | -179.3 | 0 | 0 | 0 | 113.1 | E476 R477 Q478 S508 G509 E510 L513 Y520 L523 V542 | E476-L480 WeakPolarHBondContact O-CG 3.11Å; E476-L480 PolarHBondContact O-N 3.11Å; R477-L480 PolarHBondContact O-N 3.46Å; Q478-L480 PolarHBondContact O-N 3Å; L480-S508 WeakPolarHBondContact O-CB 3.23Å; L480-G509 WeakPolarHBondContact O-CA 3.36Å; L480-G509 PolarHBondContact O-N 3.05Å; L480-E510 HydrophobicContact CB-CB 4.24Å; L480-E510 PolarHBondContact O-N 3.21Å; L480-L513 HydrophobicContact CD1-CD2 4.07Å; L480-Y520 HydrophobicContact CD1-CD2 4.33Å; L480-Y520 HydrophobicContact CD1-CE2 4.12Å; L480-L523 HydrophobicContact CD2-CD2 3.81Å; L480-V542 HydrophobicContact CD1-CG1 3.69Å |
| 481 | K | 95.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 30% | 0.296 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.8 | -34.3 | 173.2 | -73.5 | 177.8 | -176.8 | -178.3 | 0 | 112.9 | R477 Q478 R479 W484 E510 | R477-K481 VanDerWaalsContact NH2-NZ 3.18Å; R477-K481 WeakPolarHBondContact O-CG 3.39Å; R477-K481 PolarHBondContact O-N 3.39Å; R477-K481 VanDerWaalsContact O-N 3.08Å; Q478-K481 PolarHBondContact O-N 2.84Å; R479-K481 VanDerWaalsContact C-N 3.29Å; R479-K481 PolarHBondContact O-N 3.17Å; K481-W484 PolarHBondContact O-NE1 3.07Å; K481-W484 VanDerWaalsContact O-NE1 3.09Å; K481-E510 WeakPolarHBondContact CE-OE1 3.33Å; K481-E510 WeakPolarHBondContact CE-OE2 2.98Å; K481-E510 HydrophobicContact CG-CB 4.19Å; K481-E510 IonicContact NZ-OE2 2.7Å |
| 482 | S | 95.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -88.6 | -11.7 | -177.2 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | Q478 R479 | Q478-S482 WeakPolarHBondContact O-CB 3.33Å; Q478-S482 PolarHBondContact O-N 2.84Å; Q478-S482 PolarHBondContact O-OG 2.61Å; Q478-S482 VanDerWaalsContact O-OG 3.1Å; R479-S482 PolarHBondContact O-N 3.43Å; R479-S482 PolarHBondContact O-OG 2.73Å |
| 483 | T | 94.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 20% | 0.202 | 32% | 0.317 | C | S | . | . | trans | -97.9 | 119.9 | 178.4 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | R479 S508 G509 P528 F529 | R479-T483 VanDerWaalsContact O-CB 3.31Å; R479-T483 WeakPolarHBondContact O-CB 3.4Å; R479-T483 PolarHBondContact O-N 2.87Å; R479-T483 PolarHBondContact O-OG1 2.92Å; T483-S508 CarbonylContact O-C 3.51Å; T483-S508 VanDerWaalsContact O-CA 3.25Å; T483-S508 WeakPolarHBondContact O-CA 3.21Å; T483-G509 PolarHBondContact O-N 3Å; T483-P528 WeakPolarHBondContact CG2-O 3.39Å; T483-F529 HydrophobicContact CG2-CD1 3.71Å; T483-F529 HydrophobicContact CG2-CE1 3.75Å | ||
| 484 | W | 94.9 | Very high | 91.7 | Very high | 131 Ų | 131 | 61.9 Ų | 61.9 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.1 | -173.3 | -60.8 | 77.1 | 0 | 0 | 0 | 111.7 | K481 E506 | K481-W484 PolarHBondContact O-NE1 3.07Å; K481-W484 VanDerWaalsContact O-NE1 3.09Å; W484-E506 HydrophobicContact CE3-CB 4.18Å; W484-E506 HydrophobicContact CE3-CG 4.02Å; W484-E506 HydrophobicContact CZ3-CG 4.11Å |
| 485 | V | 93.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.6 | 167.9 | 176 | 0 | 0 | 0 | 0 | 108.7 | A492 V495 L503 E506 A507 P528 F529 | V485-A492 HydrophobicContact CG1-CB 4.03Å; V485-V495 HydrophobicContact CG1-CG2 4.35Å; V485-V495 HydrophobicContact CG2-CG2 4.26Å; V485-L503 HydrophobicContact CB-CD1 4.39Å; V485-L503 HydrophobicContact CG1-CD1 4.05Å; V485-E506 WeakPolarHBondContact O-CA 3.39Å; V485-A507 PolarHBondContact N-O 2.76Å; V485-A507 PolarHBondContact O-N 3.07Å; V485-P528 HydrophobicContact CG2-CB 3.63Å; V485-P528 HydrophobicContact CG2-CG 3.73Å; V485-F529 HydrophobicContact CB-CZ 4.46Å; V485-F529 HydrophobicContact CG2-CE1 4.44Å; V485-F529 HydrophobicContact CG2-CE2 3.82Å; V485-F529 HydrophobicContact CG2-CZ 3.55Å |
| 486 | T | 91.3 | Very high | 91.4 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 36% | 0.362 | 30% | 0.301 | S | S | . | . | trans | -88.8 | 145.7 | 172 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | S488 A489 A492 E506 | T486-S488 PolarHBondContact O-N 2.81Å; T486-A489 WeakPolarHBondContact O-CB 3.27Å; T486-A489 PolarHBondContact O-N 2.74Å; T486-A489 VanDerWaalsContact O-N 3.08Å; T486-A492 WeakPolarHBondContact O-CB 3.31Å; T486-E506 HydrophobicContact CG2-CB 4.4Å | ||
| 487 | P | 88.2 | Confident | 91.1 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.6 | -177.9 | -27.2 | 34.8 | 0 | 0 | 0 | 115.4 | L503 | P487-L503 WeakPolarHBondContact CB-O 3.24Å; P487-L503 HydrophobicContact CG-CB 4.15Å |
| 488 | S | 85.2 | Confident | 91 | Very high | 113 Ų | 113 | 60.4 Ų | 60.4 | 79% | 0.79 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -8.9 | -179.2 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | T486 | T486-S488 PolarHBondContact O-N 2.81Š|
| 489 | A | 82.3 | Confident | 90.9 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -70.3 | 150.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T486 A491 A492 | T486-A489 WeakPolarHBondContact O-CB 3.27Å; T486-A489 PolarHBondContact O-N 2.74Å; T486-A489 VanDerWaalsContact O-N 3.08Å; A489-A491 VanDerWaalsContact C-N 3.26Å; A489-A491 PolarHBondContact O-N 3.01Å; A489-A492 WeakPolarHBondContact O-CB 2.99Å; A489-A492 PolarHBondContact O-N 2.85Å |
| 490 | E | 80.8 | Confident | 90.6 | Very high | 189 Ų | 189 | 61.3 Ų | 61.3 | 88% | 0.883 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -40.3 | 177.4 | -172.9 | 171.9 | -171.6 | 0 | 0 | 111.9 | A492 A493 | E490-A492 PolarHBondContact O-N 3.39Å; E490-A492 VanDerWaalsContact O-N 3.13Å; E490-A493 PolarHBondContact O-N 2.94Å |
| 491 | A | 84.3 | Confident | 90.3 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.2 | -17.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | A489 A493 E494 V495 P528 | A489-A491 VanDerWaalsContact C-N 3.26Å; A489-A491 PolarHBondContact O-N 3.01Å; A491-A493 PolarHBondContact O-N 3.25Å; A491-E494 PolarHBondContact O-N 3.16Å; A491-V495 WeakPolarHBondContact O-CG2 3.33Å; A491-V495 PolarHBondContact O-N 2.71Å; A491-V495 VanDerWaalsContact O-N 3.16Å; A491-P528 HydrophobicContact CB-CB 4.36Å; A491-P528 HydrophobicContact CB-CG 4.09Å |
| 492 | A | 87.9 | Confident | 90 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 2% | 0.017 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.1 | -28.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V485 T486 A489 E490 V495 N496 | V485-A492 HydrophobicContact CG1-CB 4.03Å; T486-A492 WeakPolarHBondContact O-CB 3.31Å; A489-A492 WeakPolarHBondContact O-CB 2.99Å; A489-A492 PolarHBondContact O-N 2.85Å; E490-A492 PolarHBondContact O-N 3.39Å; E490-A492 VanDerWaalsContact O-N 3.13Å; A492-V495 PolarHBondContact O-N 3.36Å; A492-N496 WeakPolarHBondContact O-CB 3.11Å; A492-N496 PolarHBondContact O-N 3.09Å; A492-N496 PolarHBondContact O-ND2 2.8Å |
| 493 | A | 89.1 | Confident | 89.8 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E490 A491 A497 | E490-A493 PolarHBondContact O-N 2.94Å; A491-A493 PolarHBondContact O-N 3.25Å; A493-A497 PolarHBondContact O-N 3.47Å |
| 494 | E | 91.5 | Very high | 89.5 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 176 | -168.3 | -172.1 | 176.9 | 0 | 0 | 110.6 | A491 N496 A497 H498 L526 T527 | A491-E494 PolarHBondContact O-N 3.16Å; E494-N496 PolarHBondContact O-N 3.37Å; E494-A497 WeakPolarHBondContact O-CB 3.08Å; E494-A497 PolarHBondContact O-N 3.14Å; E494-H498 PolarHBondContact O-CD2 2.98Å; E494-L526 HydrophobicContact CG-CD2 4Å; E494-L526 WeakPolarHBondContact OE1-CA 3.18Å; E494-T527 PolarHBondContact OE1-N 3.48Å; E494-T527 WeakPolarHBondContact OE2-CB 3.45Å; E494-T527 PolarHBondContact OE2-N 3.36Å; E494-T527 PolarHBondContact OE2-OG1 3.47Å |
| 495 | V | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 179.4 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | V485 A491 A492 A497 H498 L499 L503 L512 L526 P528 F529 | V485-V495 HydrophobicContact CG1-CG2 4.35Å; V485-V495 HydrophobicContact CG2-CG2 4.26Å; A491-V495 WeakPolarHBondContact O-CG2 3.33Å; A491-V495 PolarHBondContact O-N 2.71Å; A491-V495 VanDerWaalsContact O-N 3.16Å; A492-V495 PolarHBondContact O-N 3.36Å; V495-A497 PolarHBondContact O-N 3.04Å; V495-H498 PolarHBondContact O-N 3.43Å; V495-H498 VanDerWaalsContact O-N 3.07Å; V495-L499 HydrophobicContact CG1-CD1 3.96Å; V495-L499 HydrophobicContact CG1-CG 4.41Å; V495-L503 HydrophobicContact CG1-CD1 3.97Å; V495-L512 HydrophobicContact CG1-CD1 3.78Å; V495-L512 HydrophobicContact CG1-CD2 4.29Å; V495-L526 HydrophobicContact CG2-CD1 4.01Å; V495-P528 HydrophobicContact CG2-CG 3.94Å; V495-F529 HydrophobicContact CG2-CE2 4.27Å |
| 496 | N | 92.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.6 | -24.7 | -175.8 | -74.3 | -32.9 | 0 | 0 | 0 | 113 | A492 E494 H498 L499 P502 L503 | A492-N496 WeakPolarHBondContact O-CB 3.11Å; A492-N496 PolarHBondContact O-N 3.09Å; A492-N496 PolarHBondContact O-ND2 2.8Å; E494-N496 PolarHBondContact O-N 3.37Å; N496-H498 PolarHBondContact O-N 2.8Å; N496-L499 PolarHBondContact O-N 2.82Å; N496-P502 HydrophobicContact CB-CB 4.28Å; N496-P502 WeakPolarHBondContact OD1-CA 3.1Å; N496-L503 PolarHBondContact OD1-N 2.89Å |
| 497 | A | 92.1 | Very high | 89.5 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A493 E494 V495 | A493-A497 PolarHBondContact O-N 3.47Å; E494-A497 WeakPolarHBondContact O-CB 3.08Å; E494-A497 PolarHBondContact O-N 3.14Å; V495-A497 PolarHBondContact O-N 3.04Å |
| 498 | H | 91.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 40% | 0.398 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -3.2 | -179.9 | -67 | -77.8 | 0 | 0 | 0 | 114.1 | E494 V495 N496 M518 | E494-H498 PolarHBondContact O-CD2 2.98Å; V495-H498 PolarHBondContact O-N 3.43Å; V495-H498 VanDerWaalsContact O-N 3.07Å; N496-H498 PolarHBondContact O-N 2.8Å; H498-M518 HydrophobicContact CB-CE 3.9Å |
| 499 | L | 92.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 37% | 0.368 | C | S | . | . | trans | -102.2 | 145 | -177.2 | -59.2 | -178.6 | 0 | 0 | 0 | 111.3 | V495 N496 A501 L503 L512 M518 | V495-L499 HydrophobicContact CG1-CD1 3.96Å; V495-L499 HydrophobicContact CG1-CG 4.41Å; N496-L499 PolarHBondContact O-N 2.82Å; L499-A501 VanDerWaalsContact C-N 3.27Å; L499-A501 PolarHBondContact O-N 3.12Å; L499-L503 HydrophobicContact CD1-CD2 3.81Å; L499-L503 HydrophobicContact CD1-CG 3.9Å; L499-L512 HydrophobicContact CD1-CD2 3.85Å; L499-L512 HydrophobicContact CD2-CD2 4.22Å; L499-M518 HydrophobicContact CD2-CE 4Å | ||
| 500 | T | 91.4 | Very high | 91 | Very high | 121 Ų | 121 | 62.1 Ų | 62.1 | 74% | 0.742 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -66 | -34.6 | 174.1 | -46 | 0 | 0 | 0 | 0 | 111.7 | E517 | T500-E517 WeakPolarHBondContact CB-OE1 3.46Å; T500-E517 PolarHBondContact N-OE1 3.36Å; T500-E517 VanDerWaalsContact OG1-CD 3.29Å; T500-E517 PolarHBondContact OG1-OE1 3.49Å |
| 501 | A | 90.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -132.7 | 123.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L499 R515 | L499-A501 VanDerWaalsContact C-N 3.27Å; L499-A501 PolarHBondContact O-N 3.12Å; A501-R515 PolarHBondContact O-NH1 3.47Å |
| 502 | P | 90.2 | Very high | 92.2 | Very high | 86 Ų | 86 | 54 Ų | 54 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | trans | -54.8 | 158.4 | 178.9 | -27.7 | 35.3 | 0 | 0 | 0 | 113.5 | N496 S504 | N496-P502 HydrophobicContact CB-CB 4.28Å; N496-P502 WeakPolarHBondContact OD1-CA 3.1Å; P502-S504 PolarHBondContact O-N 3.27Å | ||
| 503 | L | 90.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -65.3 | 121.9 | 178.5 | -61.9 | 171.8 | 0 | 0 | 0 | 111.2 | V485 P487 V495 N496 L499 A507 L512 | V485-L503 HydrophobicContact CB-CD1 4.39Å; V485-L503 HydrophobicContact CG1-CD1 4.05Å; P487-L503 WeakPolarHBondContact CB-O 3.24Å; P487-L503 HydrophobicContact CG-CB 4.15Å; V495-L503 HydrophobicContact CG1-CD1 3.97Å; N496-L503 PolarHBondContact OD1-N 2.89Å; L499-L503 HydrophobicContact CD1-CD2 3.81Å; L499-L503 HydrophobicContact CD1-CG 3.9Å; L503-A507 HydrophobicContact CD2-CB 3.77Å; L503-L512 HydrophobicContact CD2-CD2 3.59Å | ||
| 504 | S | 88.8 | Confident | 92.8 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 80% | 0.804 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -92.9 | -16.4 | 173.2 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | P502 | P502-S504 PolarHBondContact O-N 3.27Š|
| 505 | R | 91.6 | Very high | 92.9 | Very high | 195 Ų | 195 | 55.8 Ų | 55.8 | 74% | 0.736 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -148.2 | 171.5 | 179.9 | 62.2 | 177.3 | -175.4 | -173.1 | 2.4 | 109 | ||
| 506 | E | 93.2 | Very high | 92.8 | Very high | 116 Ų | 116 | 61.4 Ų | 61.4 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | trans | -55.2 | 141.5 | 171.3 | 66.1 | -167.1 | 159.4 | 0 | 0 | 111.6 | W484 V485 T486 | W484-E506 HydrophobicContact CE3-CB 4.18Å; W484-E506 HydrophobicContact CE3-CG 4.02Å; W484-E506 HydrophobicContact CZ3-CG 4.11Å; V485-E506 WeakPolarHBondContact O-CA 3.39Å; T486-E506 HydrophobicContact CG2-CB 4.4Å | ||
| 507 | A | 94.1 | Very high | 92.8 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V485 L503 D511 L512 | V485-A507 PolarHBondContact N-O 2.76Å; V485-A507 PolarHBondContact O-N 3.07Å; L503-A507 HydrophobicContact CD2-CB 3.77Å; A507-D511 HydrophobicContact CB-CB 4.07Å; A507-L512 HydrophobicContact CB-CD2 4.14Å; A507-L512 HydrophobicContact CB-CG 4.21Å |
| 508 | S | 95.9 | Very high | 93 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 164.7 | 171.3 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | L480 T483 E510 D511 L512 | L480-S508 WeakPolarHBondContact O-CB 3.23Å; T483-S508 CarbonylContact O-C 3.51Å; T483-S508 VanDerWaalsContact O-CA 3.25Å; T483-S508 WeakPolarHBondContact O-CA 3.21Å; S508-E510 PolarHBondContact O-N 2.89Å; S508-D511 WeakPolarHBondContact CB-OD2 3.13Å; S508-D511 PolarHBondContact N-OD2 3.43Å; S508-D511 WeakPolarHBondContact O-CB 3.15Å; S508-D511 PolarHBondContact O-N 3.27Å; S508-D511 VanDerWaalsContact O-N 3.11Å; S508-D511 PolarHBondContact OG-N 2.9Å; S508-D511 VanDerWaalsContact OG-N 3.08Å; S508-D511 PolarHBondContact OG-OD2 3.14Å; S508-L512 WeakPolarHBondContact O-CG 3.37Å; S508-L512 PolarHBondContact O-N 3.02Å |
| 509 | G | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.8 | -37.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L480 T483 L512 L513 L523 F529 | L480-G509 WeakPolarHBondContact O-CA 3.36Å; L480-G509 PolarHBondContact O-N 3.05Å; T483-G509 PolarHBondContact O-N 3Å; G509-L512 PolarHBondContact O-N 2.97Å; G509-L513 WeakPolarHBondContact O-CB 3.39Å; G509-L513 PolarHBondContact O-N 2.98Å; G509-L523 WeakPolarHBondContact O-CD2 3.32Å; G509-F529 VanDerWaalsContact N-CE1 3.29Å |
| 510 | E | 95.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.4 | -164.5 | -178.3 | 78 | 0 | 0 | 112 | R477 L480 K481 S508 L512 L513 R514 V546 | R477-E510 IonicContact CZ-OE2 3.57Å; R477-E510 IonicContact NE-OE2 3.77Å; R477-E510 PolarHBondContact NE-OE2 3.3Å; R477-E510 VanDerWaalsContact NE-OE2 3.15Å; R477-E510 IonicContact NH2-OE1 3.23Å; R477-E510 IonicContact NH2-OE2 2.76Å; R477-E510 PolarHBondContact NH2-OE2 2.94Å; L480-E510 HydrophobicContact CB-CB 4.24Å; L480-E510 PolarHBondContact O-N 3.21Å; K481-E510 WeakPolarHBondContact CE-OE1 3.33Å; K481-E510 WeakPolarHBondContact CE-OE2 2.98Å; K481-E510 HydrophobicContact CG-CB 4.19Å; K481-E510 IonicContact NZ-OE2 2.7Å; S508-E510 PolarHBondContact O-N 2.89Å; E510-L512 VanDerWaalsContact C-N 3.32Å; E510-L512 PolarHBondContact O-N 3.02Å; E510-L513 PolarHBondContact O-N 3.37Å; E510-R514 WeakPolarHBondContact O-CG 3.17Å; E510-R514 PolarHBondContact O-N 3.4Å; E510-R514 VanDerWaalsContact O-N 3.1Å; E510-R514 IonicContact OE1-NH2 2.81Å; E510-R514 PolarHBondContact OE1-NH2 3.02Å; E510-V546 HydrophobicContact CG-CB 4.24Å; E510-V546 HydrophobicContact CG-CG1 3.49Å; E510-V546 VanDerWaalsContact CG-CG1 3.49Å; E510-V546 HydrophobicContact CG-CG2 3.7Å |
| 511 | D | 94.8 | Very high | 93.6 | Very high | 46 Ų | 46 | 57 Ų | 57 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.1 | -65.4 | -51 | 0 | 0 | 0 | 112.3 | A507 S508 R514 | A507-D511 HydrophobicContact CB-CB 4.07Å; S508-D511 WeakPolarHBondContact CB-OD2 3.13Å; S508-D511 PolarHBondContact N-OD2 3.43Å; S508-D511 WeakPolarHBondContact O-CB 3.15Å; S508-D511 PolarHBondContact O-N 3.27Å; S508-D511 VanDerWaalsContact O-N 3.11Å; S508-D511 PolarHBondContact OG-N 2.9Å; S508-D511 VanDerWaalsContact OG-N 3.08Å; S508-D511 PolarHBondContact OG-OD2 3.14Å; D511-R514 IonicContact OD1-CZ 2.85Å; D511-R514 IonicContact OD1-NH1 2.74Å; D511-R514 PolarHBondContact OD1-NH1 2.89Å; D511-R514 IonicContact OD1-NH2 2.89Å; D511-R514 PolarHBondContact OD1-NH2 3.45Å |
| 512 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 177 | -67.4 | 176 | 0 | 0 | 0 | 111.5 | V495 L499 L503 A507 S508 G509 E510 R514 R515 M518 L523 F529 | V495-L512 HydrophobicContact CG1-CD1 3.78Å; V495-L512 HydrophobicContact CG1-CD2 4.29Å; L499-L512 HydrophobicContact CD1-CD2 3.85Å; L499-L512 HydrophobicContact CD2-CD2 4.22Å; L503-L512 HydrophobicContact CD2-CD2 3.59Å; A507-L512 HydrophobicContact CB-CD2 4.14Å; A507-L512 HydrophobicContact CB-CG 4.21Å; S508-L512 WeakPolarHBondContact O-CG 3.37Å; S508-L512 PolarHBondContact O-N 3.02Å; G509-L512 PolarHBondContact O-N 2.97Å; E510-L512 VanDerWaalsContact C-N 3.32Å; E510-L512 PolarHBondContact O-N 3.02Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 3.33Å; L512-R515 VanDerWaalsContact O-CB 3.29Å; L512-R515 WeakPolarHBondContact O-CB 3.27Å; L512-R515 PolarHBondContact O-N 3.49Å; L512-R515 VanDerWaalsContact O-N 3.07Å; L512-M518 WeakPolarHBondContact O-CB 3.4Å; L512-L523 HydrophobicContact CB-CD1 3.95Å; L512-L523 HydrophobicContact CD1-CD1 4.19Å; L512-F529 HydrophobicContact CD1-CD2 4.46Å; L512-F529 HydrophobicContact CD1-CE2 3.37Å; L512-F529 HydrophobicContact CD1-CZ 3.54Å |
| 513 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -28 | 179.6 | -170.4 | 55.6 | 0 | 0 | 0 | 113.3 | L480 G509 E510 R515 M518 Y520 L523 E543 V546 K547 | L480-L513 HydrophobicContact CD1-CD2 4.07Å; G509-L513 WeakPolarHBondContact O-CB 3.39Å; G509-L513 PolarHBondContact O-N 2.98Å; E510-L513 PolarHBondContact O-N 3.37Å; L513-R515 PolarHBondContact O-N 3.47Å; L513-M518 HydrophobicContact CD1-CG 4.47Å; L513-Y520 HydrophobicContact CD2-CD2 4.18Å; L513-L523 HydrophobicContact CB-CD2 4.1Å; L513-E543 HydrophobicContact CD1-CG 4.18Å; L513-V546 HydrophobicContact CB-CG1 3.97Å; L513-V546 HydrophobicContact CD2-CB 4.1Å; L513-V546 HydrophobicContact CD2-CG1 4.12Å; L513-V546 HydrophobicContact CD2-CG2 4.33Å; L513-V546 HydrophobicContact CG-CB 4.43Å; L513-V546 HydrophobicContact CG-CG1 4.07Å; L513-K547 VanDerWaalsContact O-CE 3.24Å; L513-K547 WeakPolarHBondContact O-CE 3.49Å; L513-K547 WeakPolarHBondContact O-CG 3.36Å |
| 514 | R | 94.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.3 | 172.8 | -76.4 | -172.4 | -114.4 | 108.8 | 2.5 | 113.1 | E510 D511 L512 V546 | E510-R514 WeakPolarHBondContact O-CG 3.17Å; E510-R514 PolarHBondContact O-N 3.4Å; E510-R514 VanDerWaalsContact O-N 3.1Å; E510-R514 IonicContact OE1-NH2 2.81Å; E510-R514 PolarHBondContact OE1-NH2 3.02Å; D511-R514 IonicContact OD1-CZ 2.85Å; D511-R514 IonicContact OD1-NH1 2.74Å; D511-R514 PolarHBondContact OD1-NH1 2.89Å; D511-R514 IonicContact OD1-NH2 2.89Å; D511-R514 PolarHBondContact OD1-NH2 3.45Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 3.33Å; R514-V546 HydrophobicContact CG-CG1 3.53Å; R514-V546 WeakPolarHBondContact CG-O 3.36Å |
| 515 | R | 92.5 | Very high | 94.8 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -72.8 | 135.4 | 177.2 | -64.4 | -175.6 | 169.1 | -139.9 | 6.8 | 110.7 | A501 L512 L513 E517 M518 | A501-R515 PolarHBondContact O-NH1 3.47Å; L512-R515 VanDerWaalsContact O-CB 3.29Å; L512-R515 WeakPolarHBondContact O-CB 3.27Å; L512-R515 PolarHBondContact O-N 3.49Å; L512-R515 VanDerWaalsContact O-N 3.07Å; L513-R515 PolarHBondContact O-N 3.47Å; R515-E517 PolarHBondContact O-N 3.06Å; R515-M518 PolarHBondContact O-N 3.5Å; R515-M518 VanDerWaalsContact O-N 3.13Å |
| 516 | P | 90.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 44.9 Ų | 44.9 | 76% | 0.76 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.2 | -172.8 | 24.9 | -34.4 | 0 | 0 | 0 | 114.1 | ||
| 517 | E | 92.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.8 | 178.5 | 63.4 | -95.7 | -132.9 | 0 | 0 | 114.7 | T500 R515 | T500-E517 WeakPolarHBondContact CB-OE1 3.46Å; T500-E517 PolarHBondContact N-OE1 3.36Å; T500-E517 VanDerWaalsContact OG1-CD 3.29Å; T500-E517 PolarHBondContact OG1-OE1 3.49Å; R515-E517 PolarHBondContact O-N 3.06Å |
| 518 | M | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -97.7 | 133.7 | -175.1 | -172.9 | 55.5 | 67.8 | 0 | 0 | 111 | H498 L499 L512 L513 R515 K522 L523 L526 K547 | H498-M518 HydrophobicContact CB-CE 3.9Å; L499-M518 HydrophobicContact CD2-CE 4Å; L512-M518 WeakPolarHBondContact O-CB 3.4Å; L513-M518 HydrophobicContact CD1-CG 4.47Å; R515-M518 PolarHBondContact O-N 3.5Å; R515-M518 VanDerWaalsContact O-N 3.13Å; M518-K522 HydrophobicContact SD-CB 3.84Å; M518-L523 HydrophobicContact CG-CB 4.18Å; M518-L523 HydrophobicContact CG-CD1 4.23Å; M518-L523 HydrophobicContact SD-CB 3.96Å; M518-L523 HydrophobicContact SD-CD1 4.27Å; M518-L526 HydrophobicContact CE-CD1 4.37Å; M518-K547 WeakPolarHBondContact O-CE 3.47Å; M518-K547 PolarHBondContact O-NZ 3.3Å | ||
| 519 | T | 95.5 | Very high | 94.7 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | trans | -112.4 | 161 | 170.5 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | E521 K522 L523 | T519-E521 VanDerWaalsContact C-N 3.3Å; T519-E521 PolarHBondContact O-N 3.11Å; T519-K522 PolarHBondContact O-N 2.89Å; T519-K522 WeakPolarHBondContact OG1-CG 3.24Å; T519-K522 PolarHBondContact OG1-N 3.19Å; T519-L523 WeakPolarHBondContact O-CB 3.49Å; T519-L523 PolarHBondContact O-N 2.86Å | ||
| 520 | Y | 97 | Very high | 94.6 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 179.8 | 178.2 | -93.6 | 0 | 0 | 0 | 111.7 | E476 L480 L513 K522 L523 T524 L533 A539 V542 E543 | E476-Y520 HydrophobicContact CG-CE2 4.02Å; E476-Y520 VanDerWaalsContact OE1-CE2 3.23Å; E476-Y520 WeakPolarHBondContact OE1-CE2 3.28Å; E476-Y520 PolarHBondContact OE1-OH 3.43Å; L480-Y520 HydrophobicContact CD1-CD2 4.33Å; L480-Y520 HydrophobicContact CD1-CE2 4.12Å; L513-Y520 HydrophobicContact CD2-CD2 4.18Å; Y520-K522 PolarHBondContact O-N 3.29Å; Y520-L523 PolarHBondContact O-N 3.37Å; Y520-T524 HydrophobicContact CD1-CG2 4.3Å; Y520-T524 HydrophobicContact CD2-CG2 4.26Å; Y520-T524 HydrophobicContact CE1-CG2 3.82Å; Y520-T524 HydrophobicContact CE2-CG2 3.77Å; Y520-T524 WeakPolarHBondContact O-CG2 2.77Å; Y520-T524 PolarHBondContact O-N 3.07Å; Y520-T524 PolarHBondContact O-OG1 3.25Å; Y520-L533 HydrophobicContact CE1-CB 4.4Å; Y520-L533 WeakPolarHBondContact OH-CB 3.25Å; Y520-L533 PolarHBondContact OH-N 3.28Å; Y520-L533 VanDerWaalsContact OH-N 3.12Å; Y520-A539 HydrophobicContact CD1-CB 3.89Å; Y520-A539 HydrophobicContact CE1-CB 3.64Å; Y520-V542 HydrophobicContact CD2-CG1 4.3Å; Y520-V542 HydrophobicContact CE2-CG1 4.29Å; Y520-E543 WeakPolarHBondContact CB-OE2 3.19Å; Y520-E543 PolarHBondContact N-OE2 3.32Å |
| 521 | E | 95.9 | Very high | 94.6 | Very high | 150 Ų | 150 | 51.9 Ų | 51.9 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -55.6 | -49.3 | 173.4 | -175.9 | -172 | -167.5 | 0 | 0 | 111.6 | T519 L523 T524 T525 | T519-E521 VanDerWaalsContact C-N 3.3Å; T519-E521 PolarHBondContact O-N 3.11Å; E521-L523 PolarHBondContact O-N 3.11Å; E521-T524 PolarHBondContact O-OG1 3.05Å; E521-T525 VanDerWaalsContact O-CG2 3.24Å; E521-T525 WeakPolarHBondContact O-CG2 3.34Å; E521-T525 PolarHBondContact O-N 3.32Å |
| 522 | K | 95.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 52.2 Ų | 52.2 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 177.5 | -73 | 179 | -178.3 | 180 | 0 | 112.8 | M518 T519 Y520 T525 L526 | M518-K522 HydrophobicContact SD-CB 3.84Å; T519-K522 PolarHBondContact O-N 2.89Å; T519-K522 WeakPolarHBondContact OG1-CG 3.24Å; T519-K522 PolarHBondContact OG1-N 3.19Å; Y520-K522 PolarHBondContact O-N 3.29Å; K522-T525 PolarHBondContact O-OG1 3.28Å; K522-L526 WeakPolarHBondContact O-CG 3.34Å |
| 523 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 180 | -175.4 | 70.7 | 0 | 0 | 0 | 110.5 | L480 G509 L512 L513 M518 T519 Y520 E521 T525 L526 F529 | L480-L523 HydrophobicContact CD2-CD2 3.81Å; G509-L523 WeakPolarHBondContact O-CD2 3.32Å; L512-L523 HydrophobicContact CB-CD1 3.95Å; L512-L523 HydrophobicContact CD1-CD1 4.19Å; L513-L523 HydrophobicContact CB-CD2 4.1Å; M518-L523 HydrophobicContact CG-CB 4.18Å; M518-L523 HydrophobicContact CG-CD1 4.23Å; M518-L523 HydrophobicContact SD-CB 3.96Å; M518-L523 HydrophobicContact SD-CD1 4.27Å; T519-L523 WeakPolarHBondContact O-CB 3.49Å; T519-L523 PolarHBondContact O-N 2.86Å; Y520-L523 PolarHBondContact O-N 3.37Å; E521-L523 PolarHBondContact O-N 3.11Å; L523-T525 VanDerWaalsContact C-N 3.29Å; L523-T525 PolarHBondContact O-N 2.91Å; L523-L526 HydrophobicContact CD1-CD1 4.32Å; L523-L526 VanDerWaalsContact O-CB 3.29Å; L523-L526 WeakPolarHBondContact O-CB 3.26Å; L523-L526 WeakPolarHBondContact O-CG 3.34Å; L523-L526 PolarHBondContact O-N 3.16Å; L523-L526 VanDerWaalsContact O-N 3.11Å; L523-F529 HydrophobicContact CD1-CB 4.47Å; L523-F529 HydrophobicContact CD1-CD2 3.47Å; L523-F529 VanDerWaalsContact CD1-CD2 3.47Å; L523-F529 HydrophobicContact CD1-CE2 3.85Å; L523-F529 HydrophobicContact CD1-CG 3.99Å; L523-F529 HydrophobicContact CG-CB 4Å; L523-F529 HydrophobicContact CG-CD2 3.96Å; L523-F529 HydrophobicContact CG-CG 4.01Å; L523-F529 WeakPolarHBondContact O-CB 3.21Å |
| 524 | T | 96.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.2 | -5.9 | -175.6 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | Y520 E521 L526 A530 A532 | Y520-T524 HydrophobicContact CD1-CG2 4.3Å; Y520-T524 HydrophobicContact CD2-CG2 4.26Å; Y520-T524 HydrophobicContact CE1-CG2 3.82Å; Y520-T524 HydrophobicContact CE2-CG2 3.77Å; Y520-T524 WeakPolarHBondContact O-CG2 2.77Å; Y520-T524 PolarHBondContact O-N 3.07Å; Y520-T524 PolarHBondContact O-OG1 3.25Å; E521-T524 PolarHBondContact O-OG1 3.05Å; T524-L526 VanDerWaalsContact C-N 3.28Å; T524-A530 WeakPolarHBondContact O-CA 3.45Å; T524-A530 WeakPolarHBondContact O-CB 3.38Å; T524-A532 HydrophobicContact CG2-CB 4.41Å; T524-A532 WeakPolarHBondContact OG1-CB 3.37Å |
| 525 | T | 95.4 | Very high | 94.8 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.1 | 163.8 | 64 | 0 | 0 | 0 | 0 | 112.4 | E521 K522 L523 | E521-T525 VanDerWaalsContact O-CG2 3.24Å; E521-T525 WeakPolarHBondContact O-CG2 3.34Å; E521-T525 PolarHBondContact O-N 3.32Å; K522-T525 PolarHBondContact O-OG1 3.28Å; L523-T525 VanDerWaalsContact C-N 3.29Å; L523-T525 PolarHBondContact O-N 2.91Å |
| 526 | L | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -80.2 | 131.4 | 179.7 | -48.9 | 175.6 | 0 | 0 | 0 | 109.5 | E494 V495 M518 K522 L523 T524 P528 F529 A530 | E494-L526 HydrophobicContact CG-CD2 4Å; E494-L526 WeakPolarHBondContact OE1-CA 3.18Å; V495-L526 HydrophobicContact CG2-CD1 4.01Å; M518-L526 HydrophobicContact CE-CD1 4.37Å; K522-L526 WeakPolarHBondContact O-CG 3.34Å; L523-L526 HydrophobicContact CD1-CD1 4.32Å; L523-L526 VanDerWaalsContact O-CB 3.29Å; L523-L526 WeakPolarHBondContact O-CB 3.26Å; L523-L526 WeakPolarHBondContact O-CG 3.34Å; L523-L526 PolarHBondContact O-N 3.16Å; L523-L526 VanDerWaalsContact O-N 3.11Å; T524-L526 VanDerWaalsContact C-N 3.28Å; L526-P528 VanDerWaalsContact C-N 3.31Å; L526-P528 HydrophobicContact CB-CG 4.3Å; L526-P528 VanDerWaalsContact O-N 3.09Å; L526-F529 HydrophobicContact CB-CD2 4.37Å; L526-F529 HydrophobicContact CD1-CD2 4.42Å; L526-F529 CarbonylContact O-C 3.59Å; L526-F529 PolarHBondContact O-N 2.9Å; L526-A530 PolarHBondContact O-N 3.11Å |
| 527 | T | 92.7 | Very high | 95.2 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.6 | -46.8 | 179.8 | -44.7 | 0 | 0 | 0 | 0 | 114.7 | E494 F529 | E494-T527 PolarHBondContact OE1-N 3.48Å; E494-T527 WeakPolarHBondContact OE2-CB 3.45Å; E494-T527 PolarHBondContact OE2-N 3.36Å; E494-T527 PolarHBondContact OE2-OG1 3.47Å; T527-F529 VanDerWaalsContact C-N 3.28Å; T527-F529 PolarHBondContact O-N 2.62Å |
| 528 | P | 91.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24 | -178.1 | 24.9 | -34.7 | 0 | 0 | 0 | 114.4 | T483 V485 A491 V495 L526 | T483-P528 WeakPolarHBondContact CG2-O 3.39Å; V485-P528 HydrophobicContact CG2-CB 3.63Å; V485-P528 HydrophobicContact CG2-CG 3.73Å; A491-P528 HydrophobicContact CB-CB 4.36Å; A491-P528 HydrophobicContact CB-CG 4.09Å; V495-P528 HydrophobicContact CG2-CG 3.94Å; L526-P528 VanDerWaalsContact C-N 3.31Å; L526-P528 HydrophobicContact CB-CG 4.3Å; L526-P528 VanDerWaalsContact O-N 3.09Å |
| 529 | F | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -1.6 | -175.6 | -55 | -66.5 | 0 | 0 | 0 | 113.4 | R479 T483 V485 V495 G509 L512 L523 L526 T527 | R479-F529 PolarHBondContact NH1-O 3.13Å; R479-F529 PolarHBondContact NH2-O 3.41Å; T483-F529 HydrophobicContact CG2-CD1 3.71Å; T483-F529 HydrophobicContact CG2-CE1 3.75Å; V485-F529 HydrophobicContact CB-CZ 4.46Å; V485-F529 HydrophobicContact CG2-CE1 4.44Å; V485-F529 HydrophobicContact CG2-CE2 3.82Å; V485-F529 HydrophobicContact CG2-CZ 3.55Å; V495-F529 HydrophobicContact CG2-CE2 4.27Å; G509-F529 VanDerWaalsContact N-CE1 3.29Å; L512-F529 HydrophobicContact CD1-CD2 4.46Å; L512-F529 HydrophobicContact CD1-CE2 3.37Å; L512-F529 HydrophobicContact CD1-CZ 3.54Å; L523-F529 HydrophobicContact CD1-CB 4.47Å; L523-F529 HydrophobicContact CD1-CD2 3.47Å; L523-F529 VanDerWaalsContact CD1-CD2 3.47Å; L523-F529 HydrophobicContact CD1-CE2 3.85Å; L523-F529 HydrophobicContact CD1-CG 3.99Å; L523-F529 HydrophobicContact CG-CB 4Å; L523-F529 HydrophobicContact CG-CD2 3.96Å; L523-F529 HydrophobicContact CG-CG 4.01Å; L523-F529 WeakPolarHBondContact O-CB 3.21Å; L526-F529 HydrophobicContact CB-CD2 4.37Å; L526-F529 HydrophobicContact CD1-CD2 4.42Å; L526-F529 CarbonylContact O-C 3.59Å; L526-F529 PolarHBondContact O-N 2.9Å; T527-F529 VanDerWaalsContact C-N 3.28Å; T527-F529 PolarHBondContact O-N 2.62Å |
| 530 | A | 94.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 58 Ų | 58 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 157 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T524 L526 | T524-A530 WeakPolarHBondContact O-CA 3.45Å; T524-A530 WeakPolarHBondContact O-CB 3.38Å; L526-A530 PolarHBondContact O-N 3.11Å |
| 531 | P | 95.4 | Very high | 95.6 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | S | Bend | cis | -82.3 | 169.3 | -7.3 | 34.7 | -35.2 | 0 | 0 | 0 | 113 | ||
| 532 | A | 96.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 44% | 0.438 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T524 T534 | T524-A532 HydrophobicContact CG2-CB 4.41Å; T524-A532 WeakPolarHBondContact OG1-CB 3.37Å; A532-T534 PolarHBondContact O-N 2.95Å |
| 533 | L | 96.2 | Very high | 95.7 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 129.6 | 169.6 | -179.8 | 63 | 0 | 0 | 0 | 110.5 | N472 E476 Y520 D535 A538 A539 | N472-L533 HydrophobicContact CB-CD2 4.33Å; E476-L533 HydrophobicContact CB-CD2 4.2Å; E476-L533 HydrophobicContact CG-CD2 4.35Å; Y520-L533 HydrophobicContact CE1-CB 4.4Å; Y520-L533 WeakPolarHBondContact OH-CB 3.25Å; Y520-L533 PolarHBondContact OH-N 3.28Å; Y520-L533 VanDerWaalsContact OH-N 3.12Å; L533-D535 VanDerWaalsContact C-N 3.34Å; L533-D535 HydrophobicContact CD2-CB 4.47Å; L533-D535 HydrophobicContact CG-CB 4.21Å; L533-A538 HydrophobicContact CD2-CB 3.58Å; L533-A539 HydrophobicContact CB-CB 4.43Å; L533-A539 HydrophobicContact CD2-CB 4.5Å |
| 534 | T | 96.4 | Very high | 95.6 | Very high | 139 Ų | 139 | 48.1 Ų | 48.1 | 85% | 0.853 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -74.8 | -22.5 | -178.3 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | A532 E536 | A532-T534 PolarHBondContact O-N 2.95Å; T534-E536 PolarHBondContact O-N 3.34Å |
| 535 | D | 96.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | trans | -79.5 | 96.3 | 174.4 | -177.9 | -13.6 | 0 | 0 | 0 | 109.9 | R465 N472 L533 Q537 A538 A539 | R465-D535 IonicContact CZ-OD1 3.48Å; R465-D535 IonicContact CZ-OD2 2.61Å; R465-D535 IonicContact NH1-OD1 3.43Å; R465-D535 IonicContact NH1-OD2 2.85Å; R465-D535 PolarHBondContact NH1-OD2 3.39Å; R465-D535 VanDerWaalsContact NH2-CG 3.34Å; R465-D535 IonicContact NH2-OD1 2.86Å; R465-D535 PolarHBondContact NH2-OD1 3.44Å; R465-D535 IonicContact NH2-OD2 2.8Å; R465-D535 PolarHBondContact NH2-OD2 2.99Å; N472-D535 PolarHBondContact ND2-OD2 3.24Å; L533-D535 VanDerWaalsContact C-N 3.34Å; L533-D535 HydrophobicContact CD2-CB 4.47Å; L533-D535 HydrophobicContact CG-CB 4.21Å; D535-Q537 VanDerWaalsContact C-N 3.28Å; D535-Q537 PolarHBondContact O-N 3.19Å; D535-Q537 PolarHBondContact OD1-N 2.61Å; D535-A538 HydrophobicContact CB-CB 3.89Å; D535-A538 VanDerWaalsContact CG-CB 3.49Å; D535-A538 PolarHBondContact O-N 3Å; D535-A538 VanDerWaalsContact O-N 3.13Å; D535-A538 PolarHBondContact OD1-N 3.16Å; D535-A538 VanDerWaalsContact OD1-N 3.15Å; D535-A539 WeakPolarHBondContact O-CB 3.46Å; D535-A539 PolarHBondContact O-N 3.46Å | ||
| 536 | E | 95.2 | Very high | 95.5 | Very high | 167 Ų | 167 | 45.2 Ų | 45.2 | 78% | 0.78 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -57.3 | -38.2 | -176.4 | -64.4 | -175.1 | 171 | 0 | 0 | 113.1 | T534 A539 E540 | T534-E536 PolarHBondContact O-N 3.34Å; E536-A539 PolarHBondContact O-N 2.92Å; E536-E540 PolarHBondContact O-N 2.58Å |
| 537 | Q | 96.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 179.1 | -68.5 | -172.8 | 49.5 | 0 | 0 | 111.9 | F229 K469 D535 Q541 | F229-Q537 PolarHBondContact O-NE2 2.79Å; K469-Q537 HydrophobicContact CD-CB 4.11Å; D535-Q537 VanDerWaalsContact C-N 3.28Å; D535-Q537 PolarHBondContact O-N 3.19Å; D535-Q537 PolarHBondContact OD1-N 2.61Å; Q537-Q541 WeakPolarHBondContact O-CB 3.32Å; Q537-Q541 PolarHBondContact O-N 3.34Å |
| 538 | A | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | K469 N472 I473 L533 D535 Q541 V542 | K469-A538 HydrophobicContact CG-CB 4.32Å; N472-A538 HydrophobicContact CB-CB 3.73Å; I473-A538 HydrophobicContact CG1-CB 3.8Å; L533-A538 HydrophobicContact CD2-CB 3.58Å; D535-A538 HydrophobicContact CB-CB 3.89Å; D535-A538 VanDerWaalsContact CG-CB 3.49Å; D535-A538 PolarHBondContact O-N 3Å; D535-A538 VanDerWaalsContact O-N 3.13Å; D535-A538 PolarHBondContact OD1-N 3.16Å; D535-A538 VanDerWaalsContact OD1-N 3.15Å; A538-Q541 PolarHBondContact O-N 3.11Å; A538-V542 VanDerWaalsContact O-CG2 3.28Å; A538-V542 WeakPolarHBondContact O-CG2 3.43Å; A538-V542 PolarHBondContact O-N 3.23Å |
| 539 | A | 97.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y520 L533 D535 E536 Q541 V542 E543 | Y520-A539 HydrophobicContact CD1-CB 3.89Å; Y520-A539 HydrophobicContact CE1-CB 3.64Å; L533-A539 HydrophobicContact CB-CB 4.43Å; L533-A539 HydrophobicContact CD2-CB 4.5Å; D535-A539 WeakPolarHBondContact O-CB 3.46Å; D535-A539 PolarHBondContact O-N 3.46Å; E536-A539 PolarHBondContact O-N 2.92Å; A539-Q541 VanDerWaalsContact C-N 3.29Å; A539-Q541 PolarHBondContact O-N 3.46Å; A539-V542 PolarHBondContact O-N 2.7Å; A539-E543 PolarHBondContact O-N 3.43Å; A539-E543 VanDerWaalsContact O-N 3.13Å |
| 540 | E | 95.6 | Very high | 94.7 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 47% | 0.467 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 174.7 | -179.8 | 177.8 | -162.5 | 0 | 0 | 110.8 | E536 V542 E543 I544 | E536-E540 PolarHBondContact O-N 2.58Å; E540-V542 PolarHBondContact O-N 3.35Å; E540-E543 PolarHBondContact O-N 2.85Å; E540-I544 HydrophobicContact CG-CD1 3.77Å; E540-I544 HydrophobicContact CG-CG1 4.4Å; E540-I544 WeakPolarHBondContact O-CG1 3.19Å; E540-I544 PolarHBondContact O-N 2.8Å |
| 541 | Q | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | -177.8 | -175.3 | 57.7 | -1 | 0 | 0 | 113.1 | D442 L446 I473 Q537 A538 A539 I544 Q545 | D442-Q541 PolarHBondContact OD1-OE1 3.26Å; L446-Q541 HydrophobicContact CD1-CG 3.77Å; I473-Q541 HydrophobicContact CD1-CB 3.87Å; I473-Q541 HydrophobicContact CD1-CG 3.62Å; I473-Q541 HydrophobicContact CG1-CB 4.2Å; I473-Q541 HydrophobicContact CG1-CG 4.27Å; Q537-Q541 WeakPolarHBondContact O-CB 3.32Å; Q537-Q541 PolarHBondContact O-N 3.34Å; A538-Q541 PolarHBondContact O-N 3.11Å; A539-Q541 VanDerWaalsContact C-N 3.29Å; A539-Q541 PolarHBondContact O-N 3.46Å; Q541-I544 PolarHBondContact O-N 2.97Å; Q541-Q545 HydrophobicContact CG-CG 4.2Å; Q541-Q545 WeakPolarHBondContact O-CB 3.35Å; Q541-Q545 VanDerWaalsContact O-CG 3.27Å; Q541-Q545 WeakPolarHBondContact O-CG 3.3Å; Q541-Q545 PolarHBondContact O-N 3.42Å |
| 542 | V | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 171.4 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | I473 E476 R477 L480 Y520 A538 A539 E540 I544 Q545 V546 | I473-V542 HydrophobicContact CB-CG2 4.36Å; I473-V542 HydrophobicContact CG1-CG2 4.46Å; I473-V542 HydrophobicContact CG2-CG2 4.08Å; E476-V542 HydrophobicContact CB-CG2 4.01Å; E476-V542 HydrophobicContact CG-CG1 4.17Å; E476-V542 HydrophobicContact CG-CG2 4.01Å; R477-V542 HydrophobicContact CG-CG1 4.3Å; R477-V542 HydrophobicContact CG-CG2 4.29Å; L480-V542 HydrophobicContact CD1-CG1 3.69Å; Y520-V542 HydrophobicContact CD2-CG1 4.3Å; Y520-V542 HydrophobicContact CE2-CG1 4.29Å; A538-V542 VanDerWaalsContact O-CG2 3.28Å; A538-V542 WeakPolarHBondContact O-CG2 3.43Å; A538-V542 PolarHBondContact O-N 3.23Å; A539-V542 PolarHBondContact O-N 2.7Å; E540-V542 PolarHBondContact O-N 3.35Å; V542-I544 PolarHBondContact O-N 2.76Å; V542-Q545 PolarHBondContact O-N 3.48Å; V542-V546 HydrophobicContact CG1-CG2 4.43Å; V542-V546 WeakPolarHBondContact O-CB 3.45Å; V542-V546 VanDerWaalsContact O-CG2 3.25Å; V542-V546 WeakPolarHBondContact O-CG2 3.19Å; V542-V546 PolarHBondContact O-N 2.86Å |
| 543 | E | 96.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 177.8 | -175.9 | 166.9 | 171.5 | 0 | 0 | 112.1 | L513 Y520 A539 E540 V546 K547 | L513-E543 HydrophobicContact CD1-CG 4.18Å; Y520-E543 WeakPolarHBondContact CB-OE2 3.19Å; Y520-E543 PolarHBondContact N-OE2 3.32Å; A539-E543 PolarHBondContact O-N 3.43Å; A539-E543 VanDerWaalsContact O-N 3.13Å; E540-E543 PolarHBondContact O-N 2.85Å; E543-V546 PolarHBondContact O-N 2.61Å; E543-K547 HydrophobicContact CG-CD 3.92Å; E543-K547 HydrophobicContact CG-CG 4.46Å; E543-K547 WeakPolarHBondContact O-CB 3.16Å; E543-K547 WeakPolarHBondContact O-CG 3.25Å; E543-K547 PolarHBondContact O-N 3.23Å; E543-K547 WeakPolarHBondContact OE1-CE 3.33Å; E543-K547 IonicContact OE1-NZ 3.38Å; E543-K547 PolarHBondContact OE1-NZ 2.7Å |
| 544 | I | 94.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -47.1 | -179.2 | -66 | 172.5 | 0 | 0 | 0 | 110.9 | P90 D442 E540 Q541 V542 V546 K547 Y548 | P90-I544 HydrophobicContact CB-CD1 4.15Å; P90-I544 HydrophobicContact CB-CG1 4.43Å; P90-I544 HydrophobicContact CB-CG2 4.07Å; P90-I544 HydrophobicContact CG-CD1 4.02Å; P90-I544 HydrophobicContact CG-CG1 3.85Å; P90-I544 HydrophobicContact CG-CG2 3.98Å; D442-I544 HydrophobicContact CB-CD1 3.86Å; E540-I544 HydrophobicContact CG-CD1 3.77Å; E540-I544 HydrophobicContact CG-CG1 4.4Å; E540-I544 WeakPolarHBondContact O-CG1 3.19Å; E540-I544 PolarHBondContact O-N 2.8Å; Q541-I544 PolarHBondContact O-N 2.97Å; V542-I544 PolarHBondContact O-N 2.76Å; I544-V546 VanDerWaalsContact C-N 3.33Å; I544-V546 PolarHBondContact O-N 2.96Å; I544-K547 PolarHBondContact O-N 3.42Å; I544-Y548 HydrophobicContact CG2-CD2 4.15Å; I544-Y548 WeakPolarHBondContact O-CB 3.2Å; I544-Y548 WeakPolarHBondContact O-CD2 3.07Å; I544-Y548 PolarHBondContact O-N 3.12Å |
| 545 | Q | 93.9 | Very high | 92 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | -179.9 | -76.2 | -169.1 | 27.8 | 0 | 0 | 111.6 | Q541 V542 E549 | Q541-Q545 HydrophobicContact CG-CG 4.2Å; Q541-Q545 WeakPolarHBondContact O-CB 3.35Å; Q541-Q545 VanDerWaalsContact O-CG 3.27Å; Q541-Q545 WeakPolarHBondContact O-CG 3.3Å; Q541-Q545 PolarHBondContact O-N 3.42Å; V542-Q545 PolarHBondContact O-N 3.48Å; Q545-E549 WeakPolarHBondContact O-CA 3.38Å; Q545-E549 WeakPolarHBondContact O-CB 3.49Å; Q545-E549 PolarHBondContact O-N 3.16Å |
| 546 | V | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -48 | -178.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | E510 L513 R514 V542 E543 I544 Y548 | E510-V546 HydrophobicContact CG-CB 4.24Å; E510-V546 HydrophobicContact CG-CG1 3.49Å; E510-V546 VanDerWaalsContact CG-CG1 3.49Å; E510-V546 HydrophobicContact CG-CG2 3.7Å; L513-V546 HydrophobicContact CB-CG1 3.97Å; L513-V546 HydrophobicContact CD2-CB 4.1Å; L513-V546 HydrophobicContact CD2-CG1 4.12Å; L513-V546 HydrophobicContact CD2-CG2 4.33Å; L513-V546 HydrophobicContact CG-CB 4.43Å; L513-V546 HydrophobicContact CG-CG1 4.07Å; R514-V546 HydrophobicContact CG-CG1 3.53Å; R514-V546 WeakPolarHBondContact CG-O 3.36Å; V542-V546 HydrophobicContact CG1-CG2 4.43Å; V542-V546 WeakPolarHBondContact O-CB 3.45Å; V542-V546 VanDerWaalsContact O-CG2 3.25Å; V542-V546 WeakPolarHBondContact O-CG2 3.19Å; V542-V546 PolarHBondContact O-N 2.86Å; E543-V546 PolarHBondContact O-N 2.61Å; I544-V546 VanDerWaalsContact C-N 3.33Å; I544-V546 PolarHBondContact O-N 2.96Å; V546-Y548 VanDerWaalsContact C-N 3.31Å; V546-Y548 PolarHBondContact O-N 3.18Å |
| 547 | K | 93.5 | Very high | 90.8 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -30.9 | -178.1 | -74.6 | -174.9 | 172.5 | -179.6 | 0 | 113.7 | L513 M518 E543 I544 | L513-K547 VanDerWaalsContact O-CE 3.24Å; L513-K547 WeakPolarHBondContact O-CE 3.49Å; L513-K547 WeakPolarHBondContact O-CG 3.36Å; M518-K547 WeakPolarHBondContact O-CE 3.47Å; M518-K547 PolarHBondContact O-NZ 3.3Å; E543-K547 HydrophobicContact CG-CD 3.92Å; E543-K547 HydrophobicContact CG-CG 4.46Å; E543-K547 WeakPolarHBondContact O-CB 3.16Å; E543-K547 WeakPolarHBondContact O-CG 3.25Å; E543-K547 PolarHBondContact O-N 3.23Å; E543-K547 WeakPolarHBondContact OE1-CE 3.33Å; E543-K547 IonicContact OE1-NZ 3.38Å; E543-K547 PolarHBondContact OE1-NZ 2.7Å; I544-K547 PolarHBondContact O-N 3.42Å |
| 548 | Y | 89.9 | Confident | 90 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -107 | 4.4 | -175.1 | -67.6 | -86.1 | 0 | 0 | 0 | 114.2 | P90 I544 V546 G550 Y551 I552 | P90-Y548 WeakPolarHBondContact CD-OH 3.22Å; P90-Y548 HydrophobicContact CG-CD2 4.14Å; P90-Y548 HydrophobicContact CG-CE2 3.55Å; I544-Y548 HydrophobicContact CG2-CD2 4.15Å; I544-Y548 WeakPolarHBondContact O-CB 3.2Å; I544-Y548 WeakPolarHBondContact O-CD2 3.07Å; I544-Y548 PolarHBondContact O-N 3.12Å; V546-Y548 VanDerWaalsContact C-N 3.31Å; V546-Y548 PolarHBondContact O-N 3.18Å; Y548-G550 VanDerWaalsContact C-N 3.32Å; Y548-G550 PolarHBondContact O-N 3.22Å; Y548-Y551 HydrophobicContact CD1-CD2 4.07Å; Y548-Y551 PolarHBondContact O-N 2.96Å; Y548-I552 WeakPolarHBondContact O-CB 3.49Å; Y548-I552 WeakPolarHBondContact O-CG1 3.29Å; Y548-I552 PolarHBondContact O-N 2.97Å |
| 549 | E | 89.3 | Confident | 89.3 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -49.5 | -47.7 | -175.1 | -171.8 | 164.9 | -141.7 | 0 | 0 | 113 | R477 Q545 Y551 I552 A553 | R477-E549 IonicContact CZ-OE1 3.09Å; R477-E549 IonicContact NH1-OE1 3.65Å; R477-E549 IonicContact NH2-OE1 2.65Å; R477-E549 PolarHBondContact NH2-OE1 3.31Å; R477-E549 IonicContact NH2-OE2 3.42Å; Q545-E549 WeakPolarHBondContact O-CA 3.38Å; Q545-E549 WeakPolarHBondContact O-CB 3.49Å; Q545-E549 PolarHBondContact O-N 3.16Å; E549-Y551 PolarHBondContact O-N 2.86Å; E549-I552 PolarHBondContact O-N 2.97Å; E549-A553 WeakPolarHBondContact O-CB 3.4Å; E549-A553 PolarHBondContact O-N 3.11Å |
| 550 | G | 84.7 | Confident | 88.5 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 60% | 0.598 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y548 R554 | Y548-G550 VanDerWaalsContact C-N 3.32Å; Y548-G550 PolarHBondContact O-N 3.22Å; G550-R554 PolarHBondContact O-N 3.44Å |
| 551 | Y | 85.9 | Confident | 87.5 | Confident | 148 Ų | 148 | 61 Ų | 61 | 58% | 0.58 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -72.9 | -37.9 | 176.7 | -61.2 | -79.5 | 0 | 0 | 0 | 111.5 | Y548 E549 Q555 | Y548-Y551 HydrophobicContact CD1-CD2 4.07Å; Y548-Y551 PolarHBondContact O-N 2.96Å; E549-Y551 PolarHBondContact O-N 2.86Å; Y551-Q555 PolarHBondContact O-N 3.09Å; Y551-Q555 VanDerWaalsContact O-N 3.12Å |
| 552 | I | 83.3 | Confident | 86.6 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 176.3 | -75.7 | 167 | 0 | 0 | 0 | 110.5 | M438 Y548 E549 R554 Q555 Q556 | M438-I552 HydrophobicContact CE-CG2 4.42Å; M438-I552 HydrophobicContact SD-CB 4.2Å; M438-I552 HydrophobicContact SD-CG1 4.18Å; M438-I552 HydrophobicContact SD-CG2 3.59Å; M438-I552 VanDerWaalsContact SD-CG2 3.59Å; Y548-I552 WeakPolarHBondContact O-CB 3.49Å; Y548-I552 WeakPolarHBondContact O-CG1 3.29Å; Y548-I552 PolarHBondContact O-N 2.97Å; E549-I552 PolarHBondContact O-N 2.97Å; I552-R554 PolarHBondContact O-N 3.28Å; I552-Q555 PolarHBondContact O-N 3.49Å; I552-Q555 VanDerWaalsContact O-N 3.16Å; I552-Q556 PolarHBondContact O-N 3.04Å |
| 553 | A | 84.2 | Confident | 85.7 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E549 Q555 Q556 D557 | E549-A553 WeakPolarHBondContact O-CB 3.4Å; E549-A553 PolarHBondContact O-N 3.11Å; A553-Q555 VanDerWaalsContact C-N 3.33Å; A553-Q555 PolarHBondContact O-N 3.41Å; A553-Q556 WeakPolarHBondContact O-CB 3.49Å; A553-Q556 PolarHBondContact O-N 3.05Å; A553-D557 PolarHBondContact O-N 2.9Å |
| 554 | R | 85.1 | Confident | 84.8 | Confident | 174 Ų | 174 | 73.5 Ų | 73.5 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 176 | -179.1 | 178 | 173.9 | 163.8 | 3 | 112.5 | G550 I552 Q556 D557 E558 | G550-R554 PolarHBondContact O-N 3.44Å; I552-R554 PolarHBondContact O-N 3.28Å; R554-Q556 VanDerWaalsContact C-N 3.34Å; R554-D557 PolarHBondContact O-N 2.65Å; R554-E558 IonicContact NE-OE1 3.82Å; R554-E558 WeakPolarHBondContact O-CG 3.23Å; R554-E558 PolarHBondContact O-N 2.83Å |
| 555 | Q | 83 | Confident | 84.1 | Confident | 11 Ų | 11 | 75.7 Ų | 75.7 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.9 | -35.1 | 177.7 | -177.7 | 154.9 | 94.4 | 0 | 0 | 111.8 | E434 Y435 L437 M438 Y551 I552 A553 E558 I559 | E434-Q555 PolarHBondContact O-NE2 3.18Å; Y435-Q555 HydrophobicContact CD1-CG 4.06Å; Y435-Q555 PolarHBondContact O-OE1 2.95Å; L437-Q555 VanDerWaalsContact CB-OE1 3.24Å; M438-Q555 HydrophobicContact CG-CB 4.36Å; M438-Q555 HydrophobicContact CG-CG 3.92Å; Y551-Q555 PolarHBondContact O-N 3.09Å; Y551-Q555 VanDerWaalsContact O-N 3.12Å; I552-Q555 PolarHBondContact O-N 3.49Å; I552-Q555 VanDerWaalsContact O-N 3.16Å; A553-Q555 VanDerWaalsContact C-N 3.33Å; A553-Q555 PolarHBondContact O-N 3.41Å; Q555-E558 WeakPolarHBondContact O-CB 3.48Å; Q555-E558 PolarHBondContact O-N 3.39Å; Q555-I559 HydrophobicContact CG-CD1 4.13Å; Q555-I559 HydrophobicContact CG-CG1 4.49Å; Q555-I559 VanDerWaalsContact O-CG1 3.31Å; Q555-I559 WeakPolarHBondContact O-CG1 3.35Å; Q555-I559 PolarHBondContact O-N 3.05Å |
| 556 | Q | 83.9 | Confident | 83.5 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.1 | -171.5 | 63.4 | 25.5 | 0 | 0 | 111.5 | I552 A553 R554 E558 I559 E560 | I552-Q556 PolarHBondContact O-N 3.04Å; A553-Q556 WeakPolarHBondContact O-CB 3.49Å; A553-Q556 PolarHBondContact O-N 3.05Å; R554-Q556 VanDerWaalsContact C-N 3.34Å; Q556-E558 VanDerWaalsContact C-N 3.27Å; Q556-E558 PolarHBondContact O-N 2.74Å; Q556-I559 WeakPolarHBondContact O-CB 3.27Å; Q556-I559 PolarHBondContact O-N 2.92Å; Q556-E560 WeakPolarHBondContact O-CG 3.39Å; Q556-E560 PolarHBondContact O-N 3.41Å |
| 557 | D | 82.9 | Confident | 82.8 | Confident | 91 Ų | 91 | 81.4 Ų | 81.4 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -35.2 | 175.3 | -68.2 | -17 | 0 | 0 | 0 | 112.7 | A553 R554 K561 | A553-D557 PolarHBondContact O-N 2.9Å; R554-D557 PolarHBondContact O-N 2.65Å; D557-K561 WeakPolarHBondContact O-CG 3.38Å; D557-K561 PolarHBondContact O-N 2.94Å |
| 558 | E | 80.2 | Confident | 82.5 | Confident | 90 Ų | 90 | 80.8 Ų | 80.8 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 174.9 | -70.8 | 172.5 | -175 | 0 | 0 | 111.3 | R554 Q555 Q556 E560 K561 Q562 | R554-E558 IonicContact NE-OE1 3.82Å; R554-E558 WeakPolarHBondContact O-CG 3.23Å; R554-E558 PolarHBondContact O-N 2.83Å; Q555-E558 WeakPolarHBondContact O-CB 3.48Å; Q555-E558 PolarHBondContact O-N 3.39Å; Q556-E558 VanDerWaalsContact C-N 3.27Å; Q556-E558 PolarHBondContact O-N 2.74Å; E558-E560 PolarHBondContact O-N 2.74Å; E558-K561 PolarHBondContact O-N 2.99Å; E558-Q562 PolarHBondContact O-N 3.3Å; E558-Q562 VanDerWaalsContact O-N 3.15Å |
| 559 | I | 82 | Confident | 82.4 | Confident | 5 Ų | 5 | 83.1 Ų | 83.1 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 175 | -70.9 | 164.7 | 0 | 0 | 0 | 110.5 | Y435 M438 Q555 Q556 K561 Q562 L563 | Y435-I559 HydrophobicContact CD1-CD1 3.81Å; Y435-I559 HydrophobicContact CD1-CG1 3.24Å; Y435-I559 HydrophobicContact CD2-CG1 4.29Å; Y435-I559 HydrophobicContact CE1-CB 4.2Å; Y435-I559 HydrophobicContact CE1-CD1 4.27Å; Y435-I559 HydrophobicContact CE1-CG1 3.21Å; Y435-I559 HydrophobicContact CE2-CG1 4.25Å; Y435-I559 HydrophobicContact CG-CD1 3.98Å; Y435-I559 HydrophobicContact CG-CG1 3.77Å; M438-I559 HydrophobicContact CB-CD1 4.43Å; M438-I559 HydrophobicContact CG-CD1 3.9Å; Q555-I559 HydrophobicContact CG-CD1 4.13Å; Q555-I559 HydrophobicContact CG-CG1 4.49Å; Q555-I559 VanDerWaalsContact O-CG1 3.31Å; Q555-I559 WeakPolarHBondContact O-CG1 3.35Å; Q555-I559 PolarHBondContact O-N 3.05Å; Q556-I559 WeakPolarHBondContact O-CB 3.27Å; Q556-I559 PolarHBondContact O-N 2.92Å; I559-K561 VanDerWaalsContact C-N 3.29Å; I559-K561 PolarHBondContact O-N 2.81Å; I559-Q562 PolarHBondContact O-N 2.59Å; I559-Q562 VanDerWaalsContact O-N 3.08Å; I559-L563 HydrophobicContact CG2-CD1 3.57Å; I559-L563 HydrophobicContact CG2-CG 3.82Å; I559-L563 WeakPolarHBondContact O-CB 3.45Å; I559-L563 WeakPolarHBondContact O-CG 3.4Å; I559-L563 PolarHBondContact O-N 3.43Å |
| 560 | E | 80.7 | Confident | 82.3 | Confident | 111 Ų | 111 | 80.3 Ų | 80.3 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | -178.1 | -74.7 | -177.6 | -171.8 | 0 | 0 | 112.4 | Q556 E558 R564 | Q556-E560 WeakPolarHBondContact O-CG 3.39Å; Q556-E560 PolarHBondContact O-N 3.41Å; E558-E560 PolarHBondContact O-N 2.74Å; E560-R564 PolarHBondContact O-N 3.27Å |
| 561 | K | 75.5 | Confident | 82.3 | Confident | 156 Ų | 156 | 80.2 Ų | 80.2 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65 | -41 | 175.1 | -70.4 | 171.3 | -172.6 | 169.1 | 0 | 111.9 | D557 E558 I559 R564 | D557-K561 WeakPolarHBondContact O-CG 3.38Å; D557-K561 PolarHBondContact O-N 2.94Å; E558-K561 PolarHBondContact O-N 2.99Å; I559-K561 VanDerWaalsContact C-N 3.29Å; I559-K561 PolarHBondContact O-N 2.81Å; K561-R564 WeakPolarHBondContact O-CB 3.48Å |
| 562 | Q | 77.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77 | -35.4 | -178.8 | -173.7 | 167 | -23 | 0 | 0 | 112.8 | Y435 E558 I559 R564 N565 E566 | Y435-Q562 WeakPolarHBondContact OH-CB 3.39Å; Y435-Q562 WeakPolarHBondContact OH-CG 3.37Å; Y435-Q562 PolarHBondContact OH-NE2 3.39Å; Y435-Q562 PolarHBondContact OH-OE1 2.87Å; E558-Q562 PolarHBondContact O-N 3.3Å; E558-Q562 VanDerWaalsContact O-N 3.15Å; I559-Q562 PolarHBondContact O-N 2.59Å; I559-Q562 VanDerWaalsContact O-N 3.08Å; Q562-R564 PolarHBondContact O-N 3.3Å; Q562-N565 WeakPolarHBondContact O-CA 3.35Å; Q562-N565 WeakPolarHBondContact O-CB 3.36Å; Q562-N565 PolarHBondContact O-N 3.42Å; Q562-E566 PolarHBondContact O-N 2.83Å; Q562-E566 VanDerWaalsContact O-N 3.09Å |
| 563 | L | 77.8 | Confident | 82.1 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 28% | 0.283 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.5 | -30.8 | 174.7 | -79.1 | 176.1 | 0 | 0 | 0 | 112.1 | I559 N565 E566 N567 | I559-L563 HydrophobicContact CG2-CD1 3.57Å; I559-L563 HydrophobicContact CG2-CG 3.82Å; I559-L563 WeakPolarHBondContact O-CB 3.45Å; I559-L563 WeakPolarHBondContact O-CG 3.4Å; I559-L563 PolarHBondContact O-N 3.43Å; L563-N565 VanDerWaalsContact C-N 3.3Å; L563-N565 PolarHBondContact O-N 3.39Å; L563-E566 PolarHBondContact O-N 3.28Å; L563-N567 WeakPolarHBondContact O-CB 3.45Å; L563-N567 VanDerWaalsContact O-CG 3.29Å; L563-N567 PolarHBondContact O-N 3.46Å; L563-N567 PolarHBondContact O-ND2 2.87Å |
| 564 | R | 78.9 | Confident | 82.3 | Confident | 195 Ų | 195 | 80.3 Ų | 80.3 | 74% | 0.736 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.6 | -42 | 172.2 | -172.1 | 179.2 | 178.9 | 177.3 | 1.7 | 112.2 | E560 K561 Q562 T568 | E560-R564 PolarHBondContact O-N 3.27Å; K561-R564 WeakPolarHBondContact O-CB 3.48Å; Q562-R564 PolarHBondContact O-N 3.3Å; R564-T568 PolarHBondContact O-N 3.32Å; R564-T568 PolarHBondContact O-OG1 3.38Å |
| 565 | N | 80.3 | Confident | 82.5 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.5 | -38 | 177.2 | -69 | -14.3 | 0 | 0 | 0 | 111.2 | Q562 L563 N567 T568 I598 G599 | Q562-N565 WeakPolarHBondContact O-CA 3.35Å; Q562-N565 WeakPolarHBondContact O-CB 3.36Å; Q562-N565 PolarHBondContact O-N 3.42Å; L563-N565 VanDerWaalsContact C-N 3.3Å; L563-N565 PolarHBondContact O-N 3.39Å; N565-N567 VanDerWaalsContact C-N 3.34Å; N565-T568 PolarHBondContact O-N 2.86Å; N565-I598 HydrophobicContact CB-CG2 4.1Å; N565-I598 WeakPolarHBondContact O-CB 3.37Å; N565-G599 PolarHBondContact O-N 2.9Å |
| 566 | E | 79.5 | Confident | 83 | Confident | 38 Ų | 38 | 73 Ų | 73 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 175.8 | -68.2 | -65.9 | -174.4 | 0 | 0 | 113.2 | Q562 L563 T568 S597 G599 Q600 R603 | Q562-E566 PolarHBondContact O-N 2.83Å; Q562-E566 VanDerWaalsContact O-N 3.09Å; L563-E566 PolarHBondContact O-N 3.28Å; E566-T568 PolarHBondContact O-N 2.93Å; E566-S597 WeakPolarHBondContact O-CB 3.45Å; E566-S597 PolarHBondContact OE2-OG 2.91Å; E566-G599 WeakPolarHBondContact OE2-CA 3.4Å; E566-Q600 PolarHBondContact OE2-N 2.77Å; E566-R603 IonicContact OE1-CZ 2.98Å; E566-R603 IonicContact OE1-NH1 3.32Å; E566-R603 PolarHBondContact OE1-NH1 3.44Å; E566-R603 IonicContact OE1-NH2 3.46Å; E566-R603 PolarHBondContact OE1-NH2 2.94Å; E566-R603 IonicContact OE2-NH2 2.78Å; E566-R603 PolarHBondContact OE2-NH2 3.25Å |
| 567 | N | 81.7 | Confident | 83.4 | Confident | 124 Ų | 124 | 78.3 Ų | 78.3 | 66% | 0.663 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.5 | 178.4 | -66.6 | -32.2 | 0 | 0 | 0 | 112.9 | L563 N565 L569 | L563-N567 WeakPolarHBondContact O-CB 3.45Å; L563-N567 VanDerWaalsContact O-CG 3.29Å; L563-N567 PolarHBondContact O-N 3.46Å; L563-N567 PolarHBondContact O-ND2 2.87Å; N565-N567 VanDerWaalsContact C-N 3.34Å; N567-L569 PolarHBondContact O-N 2.7Å |
| 568 | T | 85.9 | Confident | 83.8 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -85.4 | 92.9 | 173.3 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | R564 N565 E566 S597 I598 L616 L619 | R564-T568 PolarHBondContact O-N 3.32Å; R564-T568 PolarHBondContact O-OG1 3.38Å; N565-T568 PolarHBondContact O-N 2.86Å; E566-T568 PolarHBondContact O-N 2.93Å; T568-S597 CarbonylContact O-C 3.5Å; T568-S597 WeakPolarHBondContact O-CA 3.04Å; T568-I598 HydrophobicContact CG2-CB 4.4Å; T568-I598 HydrophobicContact CG2-CG1 3.64Å; T568-I598 PolarHBondContact O-N 3.22Å; T568-L616 HydrophobicContact CG2-CD2 4.17Å; T568-L619 HydrophobicContact CG2-CD1 3.68Å |
| 569 | L | 87.4 | Confident | 84.3 | Confident | 113 Ų | 113 | 76.1 Ų | 76.1 | 59% | 0.592 | 38% | 0.381 | S | S | * | . | B | Isolated β-bridge | trans | -68.5 | 145 | -176.3 | -61.1 | 177.8 | 0 | 0 | 0 | 112.5 | N567 A596 | N567-L569 PolarHBondContact O-N 2.7Å; L569-A596 WeakPolarHBondContact CA-O 3.34Å |
| 570 | L | 87.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | trans | -105.5 | 134.5 | 170.3 | -70.4 | 166.1 | 0 | 0 | 0 | 108.7 | A572 L574 Y576 P595 A596 S597 I598 A601 L619 | L570-A572 PolarHBondContact O-N 3Å; L570-L574 HydrophobicContact CD2-CD2 4.38Å; L570-Y576 WeakPolarHBondContact CD1-OH 3.46Å; L570-P595 WeakPolarHBondContact CB-O 3.43Å; L570-P595 HydrophobicContact CD1-CB 4.34Å; L570-P595 HydrophobicContact CD1-CG 3.93Å; L570-A596 PolarHBondContact N-O 3.17Å; L570-S597 WeakPolarHBondContact CD1-O 3.04Å; L570-I598 HydrophobicContact CD1-CD1 4.27Å; L570-I598 HydrophobicContact CD2-CD1 3.88Å; L570-I598 HydrophobicContact CD2-CG1 4.42Å; L570-I598 HydrophobicContact CG-CD1 4.27Å; L570-I598 HydrophobicContact CG-CG1 4.45Å; L570-A601 HydrophobicContact CD1-CB 3.96Å; L570-L619 HydrophobicContact CD2-CD1 3.98Å; L570-L619 HydrophobicContact CD2-CD2 4.35Å; L570-L619 HydrophobicContact CD2-CG 4.41Å | ||
| 571 | P | 85.6 | Confident | 85 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -60.1 | 130 | 177.4 | -21.7 | 31.5 | 0 | 0 | 0 | 111.4 | T573 L574 | P571-T573 PolarHBondContact O-N 2.67Å; P571-T573 VanDerWaalsContact O-N 3.13Å; P571-L574 HydrophobicContact CB-CB 4.2Å; P571-L574 WeakPolarHBondContact O-CB 2.94Å; P571-L574 PolarHBondContact O-N 3.13Å | ||
| 572 | A | 80.7 | Confident | 85.9 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 74% | 0.736 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L570 | L570-A572 PolarHBondContact O-N 3Š|
| 573 | T | 84.7 | Confident | 86.6 | Confident | 134 Ų | 134 | 71.9 Ų | 71.9 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.9 | 179.3 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | P571 D575 | P571-T573 PolarHBondContact O-N 2.67Å; P571-T573 VanDerWaalsContact O-N 3.13Å; T573-D575 PolarHBondContact O-N 3.01Å |
| 574 | L | 87.5 | Confident | 87.3 | Confident | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | trans | -60.8 | 122.9 | 180 | 178.8 | 55.9 | 0 | 0 | 0 | 110.5 | L570 P571 Y576 K594 W618 | L570-L574 HydrophobicContact CD2-CD2 4.38Å; P571-L574 HydrophobicContact CB-CB 4.2Å; P571-L574 WeakPolarHBondContact O-CB 2.94Å; P571-L574 PolarHBondContact O-N 3.13Å; L574-Y576 HydrophobicContact CD2-CD1 3.96Å; L574-Y576 HydrophobicContact CD2-CE1 3.52Å; L574-Y576 HydrophobicContact CG-CD1 4.25Å; L574-Y576 HydrophobicContact CG-CE1 4.12Å; L574-K594 PolarHBondContact O-NZ 2.94Å; L574-W618 HydrophobicContact CD1-CH2 3.34Å; L574-W618 HydrophobicContact CD1-CZ2 3.65Å; L574-W618 HydrophobicContact CD1-CZ3 3.99Å; L574-W618 HydrophobicContact CD2-CE3 4.42Å; L574-W618 HydrophobicContact CD2-CH2 4.05Å; L574-W618 HydrophobicContact CD2-CZ3 3.81Å; L574-W618 HydrophobicContact CG-CH2 4.33Å | ||
| 575 | D | 89.8 | Confident | 87.9 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 16% | 0.16 | 41% | 0.412 | C | S | . | . | trans | -92.1 | 110.5 | 165.2 | -176.8 | -2.4 | 0 | 0 | 0 | 109.5 | T573 R577 Q578 N591 | T573-D575 PolarHBondContact O-N 3.01Å; D575-R577 VanDerWaalsContact CG-NE 3.31Å; D575-R577 PolarHBondContact O-N 2.78Å; D575-R577 WeakPolarHBondContact OD1-CB 3.5Å; D575-R577 WeakPolarHBondContact OD1-CG 3.4Å; D575-R577 IonicContact OD1-CZ 3.16Å; D575-R577 PolarHBondContact OD1-N 3.4Å; D575-R577 IonicContact OD1-NE 3.64Å; D575-R577 PolarHBondContact OD1-NE 3.45Å; D575-R577 IonicContact OD1-NH2 3.32Å; D575-R577 IonicContact OD2-CZ 3.65Å; D575-R577 IonicContact OD2-NE 3.81Å; D575-R577 PolarHBondContact OD2-NE 2.78Å; D575-R577 IonicContact OD2-NH2 3.84Å; D575-R577 PolarHBondContact OD2-NH2 2.81Å; D575-Q578 HydrophobicContact CB-CG 4.42Å; D575-Q578 WeakPolarHBondContact O-CB 3.34Å; D575-Q578 WeakPolarHBondContact O-CG 3.21Å; D575-Q578 PolarHBondContact O-N 2.75Å; D575-N591 PolarHBondContact OD1-ND2 3.24Å | ||
| 576 | Y | 93.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -66 | -10.6 | -175.7 | -66.4 | -82.6 | 0 | 0 | 0 | 113.8 | L570 L574 Q578 V579 L582 L590 N591 L615 | L570-Y576 WeakPolarHBondContact CD1-OH 3.46Å; L574-Y576 HydrophobicContact CD2-CD1 3.96Å; L574-Y576 HydrophobicContact CD2-CE1 3.52Å; L574-Y576 HydrophobicContact CG-CD1 4.25Å; L574-Y576 HydrophobicContact CG-CE1 4.12Å; Y576-Q578 PolarHBondContact O-N 3.2Å; Y576-V579 HydrophobicContact CD1-CG2 4.35Å; Y576-V579 PolarHBondContact O-N 3.27Å; Y576-V579 VanDerWaalsContact O-N 3.15Å; Y576-L582 HydrophobicContact CD1-CD1 4.42Å; Y576-L590 HydrophobicContact CD1-CB 3.84Å; Y576-L590 HydrophobicContact CD1-CD1 3.63Å; Y576-L590 HydrophobicContact CD1-CG 4.33Å; Y576-L590 HydrophobicContact CD2-CB 3.43Å; Y576-L590 VanDerWaalsContact CD2-CB 3.43Å; Y576-L590 HydrophobicContact CE1-CB 4.06Å; Y576-L590 HydrophobicContact CE1-CD1 3.95Å; Y576-L590 HydrophobicContact CE1-CG 4.44Å; Y576-L590 HydrophobicContact CE2-CB 3.7Å; Y576-L590 WeakPolarHBondContact CE2-O 3.41Å; Y576-L590 HydrophobicContact CG-CB 3.51Å; Y576-L590 HydrophobicContact CG-CD1 4.04Å; Y576-L590 HydrophobicContact CG-CG 4.43Å; Y576-N591 WeakPolarHBondContact CD2-OD1 3.45Å; Y576-N591 PolarHBondContact N-OD1 3.34Å; Y576-L615 HydrophobicContact CD1-CD2 3.8Å; Y576-L615 HydrophobicContact CE1-CD2 3.74Å |
| 577 | R | 92.7 | Very high | 89.2 | Confident | 183 Ų | 183 | 69.2 Ų | 69.2 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -61.5 | -22.5 | 168.1 | -68.5 | 176.3 | -70.4 | -169.7 | 1.6 | 112.8 | D575 V579 I587 | D575-R577 VanDerWaalsContact CG-NE 3.31Å; D575-R577 PolarHBondContact O-N 2.78Å; D575-R577 WeakPolarHBondContact OD1-CB 3.5Å; D575-R577 WeakPolarHBondContact OD1-CG 3.4Å; D575-R577 IonicContact OD1-CZ 3.16Å; D575-R577 PolarHBondContact OD1-N 3.4Å; D575-R577 IonicContact OD1-NE 3.64Å; D575-R577 PolarHBondContact OD1-NE 3.45Å; D575-R577 IonicContact OD1-NH2 3.32Å; D575-R577 IonicContact OD2-CZ 3.65Å; D575-R577 IonicContact OD2-NE 3.81Å; D575-R577 PolarHBondContact OD2-NE 2.78Å; D575-R577 IonicContact OD2-NH2 3.84Å; D575-R577 PolarHBondContact OD2-NH2 2.81Å; R577-V579 VanDerWaalsContact C-N 3.31Å; R577-I587 HydrophobicContact CB-CG2 4.46Å; R577-I587 HydrophobicContact CG-CG2 3.59Å |
| 578 | Q | 90.3 | Very high | 89.6 | Confident | 133 Ų | 133 | 66.2 Ų | 66.2 | 62% | 0.621 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -82.6 | -7.9 | 178.3 | -56.6 | -179.4 | 25.5 | 0 | 0 | 113.1 | D575 Y576 S580 | D575-Q578 HydrophobicContact CB-CG 4.42Å; D575-Q578 WeakPolarHBondContact O-CB 3.34Å; D575-Q578 WeakPolarHBondContact O-CG 3.21Å; D575-Q578 PolarHBondContact O-N 2.75Å; Y576-Q578 PolarHBondContact O-N 3.2Å; Q578-S580 PolarHBondContact O-N 2.93Å |
| 579 | V | 91.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -92.4 | 103.6 | -179.8 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | Y576 R577 L582 I614 L615 W618 | Y576-V579 HydrophobicContact CD1-CG2 4.35Å; Y576-V579 PolarHBondContact O-N 3.27Å; Y576-V579 VanDerWaalsContact O-N 3.15Å; R577-V579 VanDerWaalsContact C-N 3.31Å; V579-L582 HydrophobicContact CB-CD1 3.7Å; V579-L582 HydrophobicContact CB-CG 4.13Å; V579-L582 HydrophobicContact CG1-CD1 3.75Å; V579-L582 HydrophobicContact CG1-CG 3.82Å; V579-L582 HydrophobicContact CG2-CD1 4.39Å; V579-I614 HydrophobicContact CG1-CG2 3.74Å; V579-L615 HydrophobicContact CG1-CD2 4.2Å; V579-L615 HydrophobicContact CG2-CD2 4.2Å; V579-W618 HydrophobicContact CB-CG 4.38Å; V579-W618 HydrophobicContact CG1-CB 3.9Å; V579-W618 HydrophobicContact CG1-CG 3.89Å; V579-W618 HydrophobicContact CG2-CD2 3.93Å; V579-W618 HydrophobicContact CG2-CG 3.97Å |
| 580 | S | 88.8 | Confident | 90.1 | Very high | 98 Ų | 98 | 61.2 Ų | 61.2 | 69% | 0.685 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 135.8 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | Q578 I614 | Q578-S580 PolarHBondContact O-N 2.93Å; S580-I614 VanDerWaalsContact O-CG2 3.27Å; S580-I614 WeakPolarHBondContact O-CG2 3.47Å |
| 581 | G | 89.7 | Confident | 90.2 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.6 | -10.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I614 | G581-I614 VanDerWaalsContact O-CD1 3.28Å; G581-I614 WeakPolarHBondContact O-CD1 3.41Å |
| 582 | L | 92.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 9% | 0.089 | 38% | 0.375 | C | S | . | . | trans | -76.4 | 142.3 | 171.4 | -61.3 | -177.3 | 0 | 0 | 0 | 111 | Y576 V579 V586 I587 L590 A611 I614 L615 | Y576-L582 HydrophobicContact CD1-CD1 4.42Å; V579-L582 HydrophobicContact CB-CD1 3.7Å; V579-L582 HydrophobicContact CB-CG 4.13Å; V579-L582 HydrophobicContact CG1-CD1 3.75Å; V579-L582 HydrophobicContact CG1-CG 3.82Å; V579-L582 HydrophobicContact CG2-CD1 4.39Å; L582-V586 HydrophobicContact CB-CG1 4.4Å; L582-V586 HydrophobicContact CD1-CG1 4.37Å; L582-V586 HydrophobicContact CD2-CG1 4.05Å; L582-I587 HydrophobicContact CB-CD1 4.15Å; L582-I587 HydrophobicContact CB-CG1 3.69Å; L582-I587 HydrophobicContact CD1-CG1 4.37Å; L582-L590 HydrophobicContact CD1-CD1 3.87Å; L582-A611 HydrophobicContact CD2-CB 3.79Å; L582-I614 HydrophobicContact CD2-CB 4.03Å; L582-I614 HydrophobicContact CD2-CD1 4.34Å; L582-I614 HydrophobicContact CD2-CG2 3.81Å; L582-I614 HydrophobicContact CG-CG2 4.11Å; L582-L615 HydrophobicContact CD1-CD2 4.09Å | ||
| 583 | S | 92.4 | Very high | 90.4 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | trans | -71.8 | 155.3 | 172 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | E585 V586 I587 | S583-E585 PolarHBondContact O-N 3.47Å; S583-V586 PolarHBondContact O-N 2.85Å; S583-V586 VanDerWaalsContact O-N 3.08Å; S583-V586 WeakPolarHBondContact OG-CG2 3.46Å; S583-V586 PolarHBondContact OG-N 3.4Å; S583-I587 WeakPolarHBondContact O-CG1 3.5Å; S583-I587 PolarHBondContact O-N 3.43Å | ||
| 584 | N | 92 | Very high | 90.4 | Very high | 142 Ų | 142 | 60 Ų | 60 | 76% | 0.759 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.5 | -35.5 | 176.8 | -72.1 | -23.2 | 0 | 0 | 0 | 112.6 | A588 | N584-A588 WeakPolarHBondContact O-CB 3.42Å; N584-A588 PolarHBondContact O-N 3.49Å |
| 585 | E | 91.7 | Very high | 90.4 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.8 | -172.7 | -170 | 159.2 | 0 | 0 | 111.6 | S583 A588 K589 | S583-E585 PolarHBondContact O-N 3.47Å; E585-A588 PolarHBondContact O-N 3.41Å; E585-K589 HydrophobicContact CG-CD 4.28Å; E585-K589 WeakPolarHBondContact O-CG 3.48Å; E585-K589 PolarHBondContact O-N 3.42Å; E585-K589 WeakPolarHBondContact OE1-CE 3.31Å; E585-K589 IonicContact OE1-NZ 2.87Å; E585-K589 PolarHBondContact OE1-NZ 3.4Å |
| 586 | V | 93.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L582 S583 A588 K589 L590 V607 A611 | L582-V586 HydrophobicContact CB-CG1 4.4Å; L582-V586 HydrophobicContact CD1-CG1 4.37Å; L582-V586 HydrophobicContact CD2-CG1 4.05Å; S583-V586 PolarHBondContact O-N 2.85Å; S583-V586 VanDerWaalsContact O-N 3.08Å; S583-V586 WeakPolarHBondContact OG-CG2 3.46Å; S583-V586 PolarHBondContact OG-N 3.4Å; V586-A588 VanDerWaalsContact C-N 3.35Å; V586-A588 PolarHBondContact O-N 3.49Å; V586-K589 PolarHBondContact O-N 3.49Å; V586-L590 HydrophobicContact CG1-CD1 3.59Å; V586-L590 HydrophobicContact CG1-CG 4.11Å; V586-L590 WeakPolarHBondContact O-CB 3.33Å; V586-L590 VanDerWaalsContact O-CG 3.31Å; V586-L590 WeakPolarHBondContact O-CG 3.29Å; V586-L590 PolarHBondContact O-N 3.48Å; V586-V607 HydrophobicContact CG1-CG2 4.47Å; V586-A611 HydrophobicContact CG1-CB 3.9Å; V586-A611 HydrophobicContact CG2-CB 4.36Å |
| 587 | I | 94.1 | Very high | 90 | Very high | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 175.5 | -69.3 | 168.3 | 0 | 0 | 0 | 110.4 | R577 L582 S583 K589 L590 N591 | R577-I587 HydrophobicContact CB-CG2 4.46Å; R577-I587 HydrophobicContact CG-CG2 3.59Å; L582-I587 HydrophobicContact CB-CD1 4.15Å; L582-I587 HydrophobicContact CB-CG1 3.69Å; L582-I587 HydrophobicContact CD1-CG1 4.37Å; S583-I587 WeakPolarHBondContact O-CG1 3.5Å; S583-I587 PolarHBondContact O-N 3.43Å; I587-K589 PolarHBondContact O-N 3.41Å; I587-L590 PolarHBondContact O-N 3.18Å; I587-N591 VanDerWaalsContact O-CB 3.31Å; I587-N591 WeakPolarHBondContact O-CB 3.33Å; I587-N591 PolarHBondContact O-N 2.84Å |
| 588 | A | 91.6 | Very high | 89.9 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N584 E585 V586 N591 D592 | N584-A588 WeakPolarHBondContact O-CB 3.42Å; N584-A588 PolarHBondContact O-N 3.49Å; E585-A588 PolarHBondContact O-N 3.41Å; V586-A588 VanDerWaalsContact C-N 3.35Å; V586-A588 PolarHBondContact O-N 3.49Å; A588-N591 PolarHBondContact O-N 3.38Å; A588-D592 VanDerWaalsContact O-CB 3.26Å; A588-D592 WeakPolarHBondContact O-CB 3.41Å; A588-D592 PolarHBondContact O-N 2.88Å |
| 589 | K | 90.5 | Very high | 89.8 | Confident | 49 Ų | 49 | 46 Ų | 46 | 21% | 0.213 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 178.4 | -74.5 | 173.9 | 171.6 | 178.6 | 0 | 112.7 | E585 V586 I587 N591 D592 H593 I604 S605 | E585-K589 HydrophobicContact CG-CD 4.28Å; E585-K589 WeakPolarHBondContact O-CG 3.48Å; E585-K589 PolarHBondContact O-N 3.42Å; E585-K589 WeakPolarHBondContact OE1-CE 3.31Å; E585-K589 IonicContact OE1-NZ 2.87Å; E585-K589 PolarHBondContact OE1-NZ 3.4Å; V586-K589 PolarHBondContact O-N 3.49Å; I587-K589 PolarHBondContact O-N 3.41Å; K589-N591 PolarHBondContact O-N 3.24Å; K589-D592 PolarHBondContact O-N 2.89Å; K589-H593 WeakPolarHBondContact O-CB 3.39Å; K589-H593 PolarHBondContact O-N 2.96Å; K589-H593 PolarHBondContact O-ND1 2.9Å; K589-I604 HydrophobicContact CB-CG2 4.19Å; K589-S605 VanDerWaalsContact CD-O 3.24Å; K589-S605 WeakPolarHBondContact CD-O 3.27Å; K589-S605 VanDerWaalsContact CE-O 3.23Å; K589-S605 WeakPolarHBondContact CE-O 3.25Å; K589-S605 PolarHBondContact NZ-O 3.11Å |
| 590 | L | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | -179.6 | -67.4 | 170.8 | 0 | 0 | 0 | 112.3 | Y576 L582 V586 I587 K594 P595 A601 I604 V607 L615 | Y576-L590 HydrophobicContact CD1-CB 3.84Å; Y576-L590 HydrophobicContact CD1-CD1 3.63Å; Y576-L590 HydrophobicContact CD1-CG 4.33Å; Y576-L590 HydrophobicContact CD2-CB 3.43Å; Y576-L590 VanDerWaalsContact CD2-CB 3.43Å; Y576-L590 HydrophobicContact CE1-CB 4.06Å; Y576-L590 HydrophobicContact CE1-CD1 3.95Å; Y576-L590 HydrophobicContact CE1-CG 4.44Å; Y576-L590 HydrophobicContact CE2-CB 3.7Å; Y576-L590 WeakPolarHBondContact CE2-O 3.41Å; Y576-L590 HydrophobicContact CG-CB 3.51Å; Y576-L590 HydrophobicContact CG-CD1 4.04Å; Y576-L590 HydrophobicContact CG-CG 4.43Å; L582-L590 HydrophobicContact CD1-CD1 3.87Å; V586-L590 HydrophobicContact CG1-CD1 3.59Å; V586-L590 HydrophobicContact CG1-CG 4.11Å; V586-L590 WeakPolarHBondContact O-CB 3.33Å; V586-L590 VanDerWaalsContact O-CG 3.31Å; V586-L590 WeakPolarHBondContact O-CG 3.29Å; V586-L590 PolarHBondContact O-N 3.48Å; I587-L590 PolarHBondContact O-N 3.18Å; L590-K594 WeakPolarHBondContact O-CA 3.24Å; L590-K594 PolarHBondContact O-N 3.37Å; L590-P595 HydrophobicContact CD2-CG 3.8Å; L590-P595 WeakPolarHBondContact O-CD 3.45Å; L590-A601 HydrophobicContact CD2-CB 3.93Å; L590-I604 HydrophobicContact CD2-CD1 4.05Å; L590-V607 HydrophobicContact CD2-CG2 4.09Å; L590-V607 HydrophobicContact CG-CG2 4.39Å; L590-L615 HydrophobicContact CD1-CD1 3.96Å; L590-L615 HydrophobicContact CD1-CD2 4.45Å |
| 591 | N | 89.8 | Confident | 89.7 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72 | -31.8 | 175.2 | -89.5 | -33.5 | 0 | 0 | 0 | 113.2 | D575 Y576 I587 A588 K589 K594 | D575-N591 PolarHBondContact OD1-ND2 3.24Å; Y576-N591 WeakPolarHBondContact CD2-OD1 3.45Å; Y576-N591 PolarHBondContact N-OD1 3.34Å; I587-N591 VanDerWaalsContact O-CB 3.31Å; I587-N591 WeakPolarHBondContact O-CB 3.33Å; I587-N591 PolarHBondContact O-N 2.84Å; A588-N591 PolarHBondContact O-N 3.38Å; K589-N591 PolarHBondContact O-N 3.24Å; N591-K594 VanDerWaalsContact O-CE 3.27Å; N591-K594 WeakPolarHBondContact O-CE 3.45Å; N591-K594 WeakPolarHBondContact O-CG 2.9Å; N591-K594 PolarHBondContact OD1-NZ 3.24Å |
| 592 | D | 86.1 | Confident | 89.7 | Confident | 100 Ų | 100 | 41.6 Ų | 41.6 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72 | -45.1 | 173.6 | -178.8 | 60.3 | 0 | 0 | 0 | 111.6 | A588 K589 | A588-D592 VanDerWaalsContact O-CB 3.26Å; A588-D592 WeakPolarHBondContact O-CB 3.41Å; A588-D592 PolarHBondContact O-N 2.88Å; K589-D592 PolarHBondContact O-N 2.89Å |
| 593 | H | 83.9 | Confident | 89.5 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -80.7 | -30.7 | -176 | -69.9 | 72.6 | 0 | 0 | 0 | 113.5 | T419 K589 I604 | T419-H593 PolarHBondContact O-CD2 2.93Å; K589-H593 WeakPolarHBondContact O-CB 3.39Å; K589-H593 PolarHBondContact O-N 2.96Å; K589-H593 PolarHBondContact O-ND1 2.9Å; H593-I604 HydrophobicContact CB-CD1 3.54Å; H593-I604 HydrophobicContact CB-CG1 4.29Å |
| 594 | K | 86.2 | Confident | 89.3 | Confident | 89 Ų | 89 | 40 Ų | 40 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | trans | 45.2 | 63.5 | -172.8 | -65.1 | -64.9 | -172.2 | -179 | 0 | 112.5 | L574 L590 N591 | L574-K594 PolarHBondContact O-NZ 2.94Å; L590-K594 WeakPolarHBondContact O-CA 3.24Å; L590-K594 PolarHBondContact O-N 3.37Å; N591-K594 VanDerWaalsContact O-CE 3.27Å; N591-K594 WeakPolarHBondContact O-CE 3.45Å; N591-K594 WeakPolarHBondContact O-CG 2.9Å; N591-K594 PolarHBondContact OD1-NZ 3.24Å | ||
| 595 | P | 87.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | trans | -63.3 | 141.4 | -178 | 26.1 | -32.9 | 0 | 0 | 0 | 111.5 | L570 L590 Q600 A601 I604 | L570-P595 WeakPolarHBondContact CB-O 3.43Å; L570-P595 HydrophobicContact CD1-CB 4.34Å; L570-P595 HydrophobicContact CD1-CG 3.93Å; L590-P595 HydrophobicContact CD2-CG 3.8Å; L590-P595 WeakPolarHBondContact O-CD 3.45Å; P595-Q600 VanDerWaalsContact CA-OE1 3.25Å; P595-Q600 HydrophobicContact CB-CB 4.07Å; P595-Q600 HydrophobicContact CB-CG 4.1Å; P595-A601 HydrophobicContact CB-CB 3.98Å; P595-A601 HydrophobicContact CG-CB 3.74Å; P595-I604 HydrophobicContact CB-CD1 4.1Å; P595-I604 HydrophobicContact CG-CD1 3.96Å | ||
| 596 | A | 85.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 34.2 Ų | 34.2 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -78.9 | -23 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L569 L570 | L569-A596 WeakPolarHBondContact CA-O 3.34Å; L570-A596 PolarHBondContact N-O 3.17Å |
| 597 | S | 88.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -141.8 | 162.8 | -178.4 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | E566 T568 L570 G599 Q600 A601 | E566-S597 WeakPolarHBondContact O-CB 3.45Å; E566-S597 PolarHBondContact OE2-OG 2.91Å; T568-S597 CarbonylContact O-C 3.5Å; T568-S597 WeakPolarHBondContact O-CA 3.04Å; L570-S597 WeakPolarHBondContact CD1-O 3.04Å; S597-G599 PolarHBondContact O-N 3.36Å; S597-G599 PolarHBondContact OG-N 2.68Å; S597-Q600 PolarHBondContact O-N 3.03Å; S597-Q600 PolarHBondContact OG-N 3.34Å; S597-A601 WeakPolarHBondContact O-CB 3.35Å; S597-A601 PolarHBondContact O-N 2.94Å |
| 598 | I | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 169.9 | -69.3 | -69.8 | 0 | 0 | 0 | 111 | N565 T568 L570 A601 S602 I612 L615 L616 L619 | N565-I598 HydrophobicContact CB-CG2 4.1Å; N565-I598 WeakPolarHBondContact O-CB 3.37Å; T568-I598 HydrophobicContact CG2-CB 4.4Å; T568-I598 HydrophobicContact CG2-CG1 3.64Å; T568-I598 PolarHBondContact O-N 3.22Å; L570-I598 HydrophobicContact CD1-CD1 4.27Å; L570-I598 HydrophobicContact CD2-CD1 3.88Å; L570-I598 HydrophobicContact CD2-CG1 4.42Å; L570-I598 HydrophobicContact CG-CD1 4.27Å; L570-I598 HydrophobicContact CG-CG1 4.45Å; I598-A601 PolarHBondContact O-N 3.43Å; I598-S602 WeakPolarHBondContact O-CB 3.35Å; I598-S602 PolarHBondContact O-N 2.95Å; I598-I612 HydrophobicContact CG2-CG2 3.59Å; I598-L615 HydrophobicContact CD1-CB 3.61Å; I598-L615 HydrophobicContact CD1-CD1 4.2Å; I598-L616 HydrophobicContact CD1-CD2 4.3Å; I598-L616 HydrophobicContact CD1-CG 4.35Å; I598-L616 HydrophobicContact CG1-CD2 3.96Å; I598-L616 HydrophobicContact CG1-CG 4.49Å; I598-L616 HydrophobicContact CG2-CD2 4.16Å; I598-L616 HydrophobicContact CG2-CG 4.27Å; I598-L619 HydrophobicContact CD1-CD1 3.87Å; I598-L619 HydrophobicContact CG1-CD1 3.9Å |
| 599 | G | 87.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -52.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N565 E566 S597 A601 S602 R603 | N565-G599 PolarHBondContact O-N 2.9Å; E566-G599 WeakPolarHBondContact OE2-CA 3.4Å; S597-G599 PolarHBondContact O-N 3.36Å; S597-G599 PolarHBondContact OG-N 2.68Å; G599-A601 VanDerWaalsContact C-N 3.34Å; G599-A601 PolarHBondContact O-N 2.85Å; G599-S602 WeakPolarHBondContact O-CB 3.47Å; G599-S602 PolarHBondContact O-N 2.93Å; G599-S602 VanDerWaalsContact O-N 3.13Å; G599-S602 PolarHBondContact O-OG 2.87Å; G599-R603 VanDerWaalsContact C-NH1 3.26Å; G599-R603 PolarHBondContact O-NH1 3.06Å |
| 600 | Q | 85.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 39.7 Ų | 39.7 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.4 | -168.2 | -179.2 | 28.1 | 0 | 0 | 112 | T419 E566 P595 S597 S602 R603 | T419-Q600 HydrophobicContact CG2-CG 3.69Å; T419-Q600 WeakPolarHBondContact OG1-CG 3.5Å; T419-Q600 PolarHBondContact OG1-NE2 3.23Å; E566-Q600 PolarHBondContact OE2-N 2.77Å; P595-Q600 VanDerWaalsContact CA-OE1 3.25Å; P595-Q600 HydrophobicContact CB-CB 4.07Å; P595-Q600 HydrophobicContact CB-CG 4.1Å; S597-Q600 PolarHBondContact O-N 3.03Å; S597-Q600 PolarHBondContact OG-N 3.34Å; Q600-S602 PolarHBondContact O-N 3.25Å; Q600-R603 PolarHBondContact O-N 3.29Å; Q600-R603 VanDerWaalsContact O-N 3.12Å |
| 601 | A | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L570 L590 P595 S597 I598 G599 R603 I604 V607 I612 L615 | L570-A601 HydrophobicContact CD1-CB 3.96Å; L590-A601 HydrophobicContact CD2-CB 3.93Å; P595-A601 HydrophobicContact CB-CB 3.98Å; P595-A601 HydrophobicContact CG-CB 3.74Å; S597-A601 WeakPolarHBondContact O-CB 3.35Å; S597-A601 PolarHBondContact O-N 2.94Å; I598-A601 PolarHBondContact O-N 3.43Å; G599-A601 VanDerWaalsContact C-N 3.34Å; G599-A601 PolarHBondContact O-N 2.85Å; A601-R603 PolarHBondContact O-N 2.82Å; A601-I604 PolarHBondContact O-N 3.44Å; A601-V607 WeakPolarHBondContact O-CB 3.45Å; A601-V607 WeakPolarHBondContact O-CG1 3.44Å; A601-I612 HydrophobicContact CB-CD1 3.87Å; A601-L615 HydrophobicContact CB-CD1 4.38Å |
| 602 | S | 90.3 | Very high | 88.4 | Confident | 51 Ų | 51 | 38.8 Ų | 38.8 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.9 | -19.7 | -179.1 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | I598 G599 Q600 | I598-S602 WeakPolarHBondContact O-CB 3.35Å; I598-S602 PolarHBondContact O-N 2.95Å; G599-S602 WeakPolarHBondContact O-CB 3.47Å; G599-S602 PolarHBondContact O-N 2.93Å; G599-S602 VanDerWaalsContact O-N 3.13Å; G599-S602 PolarHBondContact O-OG 2.87Å; Q600-S602 PolarHBondContact O-N 3.25Å |
| 603 | R | 87.8 | Confident | 88.6 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -90.1 | -14.8 | 177.7 | -72.5 | -175 | -68.3 | -74.9 | 8.5 | 113.7 | D415 T419 L420 E566 G599 Q600 A601 S605 | D415-R603 IonicContact OD1-CZ 2.73Å; D415-R603 IonicContact OD1-NE 3.73Å; D415-R603 IonicContact OD1-NH2 3.31Å; D415-R603 PolarHBondContact OD1-NH2 2.96Å; D415-R603 IonicContact OD2-CZ 3.49Å; D415-R603 IonicContact OD2-NE 2.64Å; D415-R603 PolarHBondContact OD2-NE 3.15Å; D415-R603 IonicContact OD2-NH2 3Å; D415-R603 PolarHBondContact OD2-NH2 2.87Å; T419-R603 HydrophobicContact CG2-CB 4.43Å; L420-R603 WeakPolarHBondContact CD2-O 3.16Å; E566-R603 IonicContact OE1-CZ 2.98Å; E566-R603 IonicContact OE1-NH1 3.32Å; E566-R603 PolarHBondContact OE1-NH1 3.44Å; E566-R603 IonicContact OE1-NH2 3.46Å; E566-R603 PolarHBondContact OE1-NH2 2.94Å; E566-R603 IonicContact OE2-NH2 2.78Å; E566-R603 PolarHBondContact OE2-NH2 3.25Å; G599-R603 VanDerWaalsContact C-NH1 3.26Å; G599-R603 PolarHBondContact O-NH1 3.06Å; Q600-R603 PolarHBondContact O-N 3.29Å; Q600-R603 VanDerWaalsContact O-N 3.12Å; A601-R603 PolarHBondContact O-N 2.82Å; R603-S605 PolarHBondContact O-N 2.86Å |
| 604 | I | 87.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -65.2 | 125.6 | 179.9 | -63.1 | 166.8 | 0 | 0 | 0 | 109 | T419 K589 L590 H593 P595 A601 G606 V607 | T419-I604 HydrophobicContact CG2-CG1 4.03Å; K589-I604 HydrophobicContact CB-CG2 4.19Å; L590-I604 HydrophobicContact CD2-CD1 4.05Å; H593-I604 HydrophobicContact CB-CD1 3.54Å; H593-I604 HydrophobicContact CB-CG1 4.29Å; P595-I604 HydrophobicContact CB-CD1 4.1Å; P595-I604 HydrophobicContact CG-CD1 3.96Å; A601-I604 PolarHBondContact O-N 3.44Å; I604-G606 PolarHBondContact O-N 3.38Å; I604-V607 HydrophobicContact CB-CB 4.42Å; I604-V607 HydrophobicContact CB-CG2 3.73Å; I604-V607 HydrophobicContact CG2-CG2 3.9Å; I604-V607 WeakPolarHBondContact O-CB 3.28Å; I604-V607 PolarHBondContact O-N 2.92Å |
| 605 | S | 85.6 | Confident | 89.3 | Confident | 97 Ų | 97 | 33.7 Ų | 33.7 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 121.9 | -177.4 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | K589 R603 | K589-S605 VanDerWaalsContact CD-O 3.24Å; K589-S605 WeakPolarHBondContact CD-O 3.27Å; K589-S605 VanDerWaalsContact CE-O 3.23Å; K589-S605 WeakPolarHBondContact CE-O 3.25Å; K589-S605 PolarHBondContact NZ-O 3.11Å; R603-S605 PolarHBondContact O-N 2.86Å |
| 606 | G | 85.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 36.5 Ų | 36.5 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 0.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I604 | I604-G606 PolarHBondContact O-N 3.38Š|
| 607 | V | 90.9 | Very high | 89.6 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | trans | -78.2 | 121 | 162.3 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | V586 L590 A601 I604 A611 I612 | V586-V607 HydrophobicContact CG1-CG2 4.47Å; L590-V607 HydrophobicContact CD2-CG2 4.09Å; L590-V607 HydrophobicContact CG-CG2 4.39Å; A601-V607 WeakPolarHBondContact O-CB 3.45Å; A601-V607 WeakPolarHBondContact O-CG1 3.44Å; I604-V607 HydrophobicContact CB-CB 4.42Å; I604-V607 HydrophobicContact CB-CG2 3.73Å; I604-V607 HydrophobicContact CG2-CG2 3.9Å; I604-V607 WeakPolarHBondContact O-CB 3.28Å; I604-V607 PolarHBondContact O-N 2.92Å; V607-A611 HydrophobicContact CG1-CB 4.03Å; V607-I612 HydrophobicContact CG1-CD1 3.7Å; V607-I612 HydrophobicContact CG1-CG1 4.07Å | ||
| 608 | T | 89.9 | Confident | 89.6 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | trans | -91.7 | 158.5 | -175.3 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | A610 A611 I612 | T608-A610 PolarHBondContact O-N 3.11Å; T608-A610 VanDerWaalsContact O-N 3.15Å; T608-A611 WeakPolarHBondContact O-CB 3.39Å; T608-A611 PolarHBondContact O-N 2.88Å; T608-A611 PolarHBondContact OG1-N 3.23Å; T608-I612 PolarHBondContact O-N 2.93Å; T608-I612 VanDerWaalsContact O-N 3.08Å | ||
| 609 | P | 88.4 | Confident | 89.4 | Confident | 108 Ų | 108 | 40.5 Ų | 40.5 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55 | -30.6 | 171 | -27.6 | 35.7 | 0 | 0 | 0 | 113.6 | I612 S613 | P609-I612 PolarHBondContact O-N 3.22Å; P609-S613 PolarHBondContact O-N 3.47Å; P609-S613 PolarHBondContact O-OG 3.04Å |
| 610 | A | 90.7 | Very high | 89.2 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 51% | 0.512 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T608 I612 S613 I614 | T608-A610 PolarHBondContact O-N 3.11Å; T608-A610 VanDerWaalsContact O-N 3.15Å; A610-I612 VanDerWaalsContact C-N 3.33Å; A610-I612 PolarHBondContact O-N 3.32Å; A610-S613 WeakPolarHBondContact O-CB 3.32Å; A610-S613 PolarHBondContact O-N 3.08Å; A610-I614 WeakPolarHBondContact O-CG1 3.35Å; A610-I614 PolarHBondContact O-N 2.79Å |
| 611 | A | 93.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L582 V586 V607 T608 S613 I614 L615 | L582-A611 HydrophobicContact CD2-CB 3.79Å; V586-A611 HydrophobicContact CG1-CB 3.9Å; V586-A611 HydrophobicContact CG2-CB 4.36Å; V607-A611 HydrophobicContact CG1-CB 4.03Å; T608-A611 WeakPolarHBondContact O-CB 3.39Å; T608-A611 PolarHBondContact O-N 2.88Å; T608-A611 PolarHBondContact OG1-N 3.23Å; A611-S613 VanDerWaalsContact C-N 3.34Å; A611-S613 PolarHBondContact O-N 3.5Å; A611-I614 WeakPolarHBondContact O-CB 3.47Å; A611-I614 PolarHBondContact O-N 3.46Å; A611-L615 WeakPolarHBondContact O-CG 3.2Å; A611-L615 PolarHBondContact O-N 2.96Å |
| 612 | I | 91.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.077 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.1 | -63.8 | -54.4 | 0 | 0 | 0 | 111.7 | I598 A601 V607 T608 P609 A610 I614 L615 L616 | I598-I612 HydrophobicContact CG2-CG2 3.59Å; A601-I612 HydrophobicContact CB-CD1 3.87Å; V607-I612 HydrophobicContact CG1-CD1 3.7Å; V607-I612 HydrophobicContact CG1-CG1 4.07Å; T608-I612 PolarHBondContact O-N 2.93Å; T608-I612 VanDerWaalsContact O-N 3.08Å; P609-I612 PolarHBondContact O-N 3.22Å; A610-I612 VanDerWaalsContact C-N 3.33Å; A610-I612 PolarHBondContact O-N 3.32Å; I612-I614 VanDerWaalsContact C-N 3.31Å; I612-I614 PolarHBondContact O-N 3.3Å; I612-L615 HydrophobicContact CD1-CD1 4.22Å; I612-L615 PolarHBondContact O-N 2.83Å; I612-L616 HydrophobicContact CG2-CD1 4.02Å; I612-L616 HydrophobicContact CG2-CG 4.43Å; I612-L616 WeakPolarHBondContact O-CG 3.41Å; I612-L616 PolarHBondContact O-N 3.03Å |
| 613 | S | 90.7 | Very high | 86.2 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 47% | 0.469 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | P609 A610 A611 L616 V617 | P609-S613 PolarHBondContact O-N 3.47Å; P609-S613 PolarHBondContact O-OG 3.04Å; A610-S613 WeakPolarHBondContact O-CB 3.32Å; A610-S613 PolarHBondContact O-N 3.08Å; A611-S613 VanDerWaalsContact C-N 3.34Å; A611-S613 PolarHBondContact O-N 3.5Å; S613-L616 PolarHBondContact O-N 2.83Å; S613-V617 WeakPolarHBondContact O-CB 3.49Å; S613-V617 VanDerWaalsContact O-CG2 3.27Å; S613-V617 WeakPolarHBondContact O-CG2 3.24Å; S613-V617 PolarHBondContact O-N 3.24Å |
| 614 | I | 92.9 | Very high | 84.2 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.4 | -70.9 | 158.6 | 0 | 0 | 0 | 111 | V579 S580 G581 L582 A610 A611 I612 V617 W618 | V579-I614 HydrophobicContact CG1-CG2 3.74Å; S580-I614 VanDerWaalsContact O-CG2 3.27Å; S580-I614 WeakPolarHBondContact O-CG2 3.47Å; G581-I614 VanDerWaalsContact O-CD1 3.28Å; G581-I614 WeakPolarHBondContact O-CD1 3.41Å; L582-I614 HydrophobicContact CD2-CB 4.03Å; L582-I614 HydrophobicContact CD2-CD1 4.34Å; L582-I614 HydrophobicContact CD2-CG2 3.81Å; L582-I614 HydrophobicContact CG-CG2 4.11Å; A610-I614 WeakPolarHBondContact O-CG1 3.35Å; A610-I614 PolarHBondContact O-N 2.79Å; A611-I614 WeakPolarHBondContact O-CB 3.47Å; A611-I614 PolarHBondContact O-N 3.46Å; I612-I614 VanDerWaalsContact C-N 3.31Å; I612-I614 PolarHBondContact O-N 3.3Å; I614-V617 PolarHBondContact O-N 3.29Å; I614-W618 WeakPolarHBondContact O-CB 3.25Å; I614-W618 PolarHBondContact O-N 3.36Å |
| 615 | L | 91.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.3 | -72.9 | 173.3 | 0 | 0 | 0 | 112.1 | Y576 V579 L582 L590 I598 A601 A611 I612 V617 W618 L619 | Y576-L615 HydrophobicContact CD1-CD2 3.8Å; Y576-L615 HydrophobicContact CE1-CD2 3.74Å; V579-L615 HydrophobicContact CG1-CD2 4.2Å; V579-L615 HydrophobicContact CG2-CD2 4.2Å; L582-L615 HydrophobicContact CD1-CD2 4.09Å; L590-L615 HydrophobicContact CD1-CD1 3.96Å; L590-L615 HydrophobicContact CD1-CD2 4.45Å; I598-L615 HydrophobicContact CD1-CB 3.61Å; I598-L615 HydrophobicContact CD1-CD1 4.2Å; A601-L615 HydrophobicContact CB-CD1 4.38Å; A611-L615 WeakPolarHBondContact O-CG 3.2Å; A611-L615 PolarHBondContact O-N 2.96Å; I612-L615 HydrophobicContact CD1-CD1 4.22Å; I612-L615 PolarHBondContact O-N 2.83Å; L615-V617 VanDerWaalsContact C-N 3.33Å; L615-V617 PolarHBondContact O-N 3.27Å; L615-W618 PolarHBondContact O-N 3.13Å; L615-L619 WeakPolarHBondContact O-CB 3.44Å; L615-L619 WeakPolarHBondContact O-CG 3.08Å; L615-L619 PolarHBondContact O-N 3.29Å |
| 616 | L | 89.6 | Confident | 79.6 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 176 | -74.4 | 169.4 | 0 | 0 | 0 | 111.8 | T568 I598 I612 S613 K620 | T568-L616 HydrophobicContact CG2-CD2 4.17Å; I598-L616 HydrophobicContact CD1-CD2 4.3Å; I598-L616 HydrophobicContact CD1-CG 4.35Å; I598-L616 HydrophobicContact CG1-CD2 3.96Å; I598-L616 HydrophobicContact CG1-CG 4.49Å; I598-L616 HydrophobicContact CG2-CD2 4.16Å; I598-L616 HydrophobicContact CG2-CG 4.27Å; I612-L616 HydrophobicContact CG2-CD1 4.02Å; I612-L616 HydrophobicContact CG2-CG 4.43Å; I612-L616 WeakPolarHBondContact O-CG 3.41Å; I612-L616 PolarHBondContact O-N 3.03Å; S613-L616 PolarHBondContact O-N 2.83Å; L616-K620 WeakPolarHBondContact O-CB 3.3Å; L616-K620 PolarHBondContact O-N 3.43Å |
| 617 | V | 88.3 | Confident | 77.2 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 47% | 0.473 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | S613 I614 L615 K620 K621 | S613-V617 WeakPolarHBondContact O-CB 3.49Å; S613-V617 VanDerWaalsContact O-CG2 3.27Å; S613-V617 WeakPolarHBondContact O-CG2 3.24Å; S613-V617 PolarHBondContact O-N 3.24Å; I614-V617 PolarHBondContact O-N 3.29Å; L615-V617 VanDerWaalsContact C-N 3.33Å; L615-V617 PolarHBondContact O-N 3.27Å; V617-K620 CarbonylContact O-C 3.55Å; V617-K620 PolarHBondContact O-N 2.86Å; V617-K621 HydrophobicContact CG1-CD 4.34Å; V617-K621 HydrophobicContact CG1-CG 4.44Å; V617-K621 WeakPolarHBondContact O-CB 3.33Å; V617-K621 WeakPolarHBondContact O-CG 3.47Å; V617-K621 PolarHBondContact O-N 3.07Å |
| 618 | W | 90.1 | Very high | 74.5 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176.6 | -179.2 | 93.2 | 0 | 0 | 0 | 111.1 | L574 V579 I614 L615 K620 K621 Q622 | L574-W618 HydrophobicContact CD1-CH2 3.34Å; L574-W618 HydrophobicContact CD1-CZ2 3.65Å; L574-W618 HydrophobicContact CD1-CZ3 3.99Å; L574-W618 HydrophobicContact CD2-CE3 4.42Å; L574-W618 HydrophobicContact CD2-CH2 4.05Å; L574-W618 HydrophobicContact CD2-CZ3 3.81Å; L574-W618 HydrophobicContact CG-CH2 4.33Å; V579-W618 HydrophobicContact CB-CG 4.38Å; V579-W618 HydrophobicContact CG1-CB 3.9Å; V579-W618 HydrophobicContact CG1-CG 3.89Å; V579-W618 HydrophobicContact CG2-CD2 3.93Å; V579-W618 HydrophobicContact CG2-CG 3.97Å; I614-W618 WeakPolarHBondContact O-CB 3.25Å; I614-W618 PolarHBondContact O-N 3.36Å; L615-W618 PolarHBondContact O-N 3.13Å; W618-K620 VanDerWaalsContact C-N 3.28Å; W618-K620 PolarHBondContact O-N 3.39Å; W618-K621 CarbonylContact O-C 3.56Å; W618-K621 PolarHBondContact O-N 3.12Å; W618-Q622 HydrophobicContact CD2-CG 3.88Å; W618-Q622 HydrophobicContact CE3-CG 4.04Å; W618-Q622 HydrophobicContact CH2-CG 3.73Å; W618-Q622 HydrophobicContact CZ2-CG 3.6Å; W618-Q622 HydrophobicContact CZ3-CG 3.96Å; W618-Q622 WeakPolarHBondContact O-CG 3.41Å; W618-Q622 PolarHBondContact O-N 3.26Å |
| 619 | L | 86.7 | Confident | 72.2 | Confident | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.7 | -44 | 173.5 | -74.6 | 171.6 | 0 | 0 | 0 | 110.9 | T568 L570 I598 L615 K621 Q622 A623 | T568-L619 HydrophobicContact CG2-CD1 3.68Å; L570-L619 HydrophobicContact CD2-CD1 3.98Å; L570-L619 HydrophobicContact CD2-CD2 4.35Å; L570-L619 HydrophobicContact CD2-CG 4.41Å; I598-L619 HydrophobicContact CD1-CD1 3.87Å; I598-L619 HydrophobicContact CG1-CD1 3.9Å; L615-L619 WeakPolarHBondContact O-CB 3.44Å; L615-L619 WeakPolarHBondContact O-CG 3.08Å; L615-L619 PolarHBondContact O-N 3.29Å; L619-K621 VanDerWaalsContact C-N 3.33Å; L619-K621 PolarHBondContact O-N 3.45Å; L619-Q622 PolarHBondContact O-N 3.05Å; L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 3.47Å |
| 620 | K | 82.4 | Confident | 69.9 | Low | 152 Ų | 152 | 72.4 Ų | 72.4 | 66% | 0.661 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.1 | -31.9 | 175.5 | -166.1 | -179.7 | 179.7 | -177 | 0 | 113.2 | L616 V617 W618 A623 | L616-K620 WeakPolarHBondContact O-CB 3.3Å; L616-K620 PolarHBondContact O-N 3.43Å; V617-K620 CarbonylContact O-C 3.55Å; V617-K620 PolarHBondContact O-N 2.86Å; W618-K620 VanDerWaalsContact C-N 3.28Å; W618-K620 PolarHBondContact O-N 3.39Å; K620-A623 WeakPolarHBondContact O-CB 3.31Å; K620-A623 PolarHBondContact O-N 3.05Å |
| 621 | K | 78.9 | Confident | 67.5 | Low | 150 Ų | 150 | 76.6 Ų | 76.6 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -80.6 | -27.7 | 177.2 | -80.8 | -174.7 | 178.4 | -176.7 | 0 | 113.8 | V617 W618 L619 P624 | V617-K621 HydrophobicContact CG1-CD 4.34Å; V617-K621 HydrophobicContact CG1-CG 4.44Å; V617-K621 WeakPolarHBondContact O-CB 3.33Å; V617-K621 WeakPolarHBondContact O-CG 3.47Å; V617-K621 PolarHBondContact O-N 3.07Å; W618-K621 CarbonylContact O-C 3.56Å; W618-K621 PolarHBondContact O-N 3.12Å; L619-K621 VanDerWaalsContact C-N 3.33Å; L619-K621 PolarHBondContact O-N 3.45Å; K621-P624 VanDerWaalsContact C-CD 3.46Å; K621-P624 WeakPolarHBondContact O-CD 3.44Å |
| 622 | Q | 71.9 | Confident | 65.3 | Low | 94 Ų | 94 | 81.7 Ų | 81.7 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75 | -16.2 | 165.7 | -63.3 | -61 | -18.4 | 0 | 0 | 110.8 | W618 L619 A625 Y626 | W618-Q622 HydrophobicContact CD2-CG 3.88Å; W618-Q622 HydrophobicContact CE3-CG 4.04Å; W618-Q622 HydrophobicContact CH2-CG 3.73Å; W618-Q622 HydrophobicContact CZ2-CG 3.6Å; W618-Q622 HydrophobicContact CZ3-CG 3.96Å; W618-Q622 WeakPolarHBondContact O-CG 3.41Å; W618-Q622 PolarHBondContact O-N 3.26Å; L619-Q622 PolarHBondContact O-N 3.05Å; Q622-A625 WeakPolarHBondContact O-CA 3.28Å; Q622-A625 PolarHBondContact O-N 3Å; Q622-Y626 PolarHBondContact O-N 3Å |
| 623 | A | 54.2 | Low | 63.5 | Low | 7 Ų | 7 | 86.3 Ų | 86.3 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -63.3 | -22.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L619 K620 A625 Y626 Q627 | L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 3.47Å; K620-A623 WeakPolarHBondContact O-CB 3.31Å; K620-A623 PolarHBondContact O-N 3.05Å; A623-A625 PolarHBondContact O-N 2.96Å; A623-Y626 CarbonylContact O-C 3.45Å; A623-Y626 PolarHBondContact O-N 3.41Å; A623-Q627 HydrophobicContact CB-CB 4.39Å; A623-Q627 VanDerWaalsContact CB-CD 3.42Å; A623-Q627 HydrophobicContact CB-CG 3.65Å; A623-Q627 WeakPolarHBondContact O-CA 3.47Å; A623-Q627 WeakPolarHBondContact O-CB 3.27Å; A623-Q627 PolarHBondContact O-N 3.47Å |
| 624 | P | 45.8 | Very low | 62 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 70% | 0.695 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -59.6 | -18.1 | 166.7 | -20 | 33.6 | 0 | 0 | 0 | 113.4 | K621 | K621-P624 VanDerWaalsContact C-CD 3.46Å; K621-P624 WeakPolarHBondContact O-CD 3.44Å |
| 625 | A | 40.6 | Very low | 60.7 | Low | 88 Ų | 88 | 88.2 Ų | 88.2 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -105.6 | -0.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q622 A623 | Q622-A625 WeakPolarHBondContact O-CA 3.28Å; Q622-A625 PolarHBondContact O-N 3Å; A623-A625 PolarHBondContact O-N 2.96Å |
| 626 | Y | 36.8 | Very low | 59.7 | Low | 158 Ų | 158 | 91.9 Ų | 91.9 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -21 | -179.2 | -152.2 | -98.8 | 0 | 0 | 0 | 113.6 | Q622 A623 T629 | Q622-Y626 PolarHBondContact O-N 3Å; A623-Y626 CarbonylContact O-C 3.45Å; A623-Y626 PolarHBondContact O-N 3.41Å; Y626-T629 PolarHBondContact O-OG1 3.12Å |
| 627 | Q | 34.8 | Very low | 58.9 | Low | 110 Ų | 110 | 89.6 Ų | 89.6 | 51% | 0.514 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -85.3 | -14.1 | 179.5 | -87.3 | 162.3 | -4.4 | 0 | 0 | 113.2 | A623 T629 H630 | A623-Q627 HydrophobicContact CB-CB 4.39Å; A623-Q627 VanDerWaalsContact CB-CD 3.42Å; A623-Q627 HydrophobicContact CB-CG 3.65Å; A623-Q627 WeakPolarHBondContact O-CA 3.47Å; A623-Q627 WeakPolarHBondContact O-CB 3.27Å; A623-Q627 PolarHBondContact O-N 3.47Å; Q627-T629 PolarHBondContact O-N 3.26Å; Q627-H630 PolarHBondContact O-N 3.27Å |
| 628 | A | 35.2 | Very low | 58.4 | Low | 45 Ų | 45 | 87.8 Ų | 87.8 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -50.4 | -38.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | H630 E632 | A628-H630 PolarHBondContact O-N 3.26Å; A628-E632 WeakPolarHBondContact O-CB 3.28Å; A628-E632 WeakPolarHBondContact O-CG 3.27Å; A628-E632 PolarHBondContact O-N 2.93Å |
| 629 | T | 41.5 | Very low | 57.9 | Low | 65 Ų | 65 | 91 Ų | 91 | 40% | 0.399 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -28.9 | -175.4 | 63.3 | 0 | 0 | 0 | 0 | 116.3 | Y626 Q627 Q633 | Y626-T629 PolarHBondContact O-OG1 3.12Å; Q627-T629 PolarHBondContact O-N 3.26Å; T629-Q633 VanDerWaalsContact O-CB 3.3Å; T629-Q633 WeakPolarHBondContact O-CB 3.47Å; T629-Q633 WeakPolarHBondContact O-CG 3.44Å; T629-Q633 PolarHBondContact O-N 3.3Å |
| 630 | H | 39.9 | Very low | 57.8 | Low | 137 Ų | 137 | 92.6 Ų | 92.6 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -86.7 | -37.4 | 179.4 | -94.8 | 28.4 | 0 | 0 | 0 | 113.1 | Q627 A628 V634 | Q627-H630 PolarHBondContact O-N 3.27Å; A628-H630 PolarHBondContact O-N 3.26Å; H630-V634 WeakPolarHBondContact O-CG2 3.41Å; H630-V634 PolarHBondContact O-N 2.95Å |
| 631 | Q | 40.9 | Very low | 58 | Low | 151 Ų | 151 | 85.4 Ų | 85.4 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.7 | -37.6 | 170.3 | -86.6 | -176.6 | -29.3 | 0 | 0 | 111.2 | Q633 V634 I635 | Q631-Q633 VanDerWaalsContact C-N 3.35Å; Q631-Q633 PolarHBondContact O-N 3.33Å; Q631-V634 PolarHBondContact O-N 3Å; Q631-I635 WeakPolarHBondContact O-CB 3.45Å; Q631-I635 WeakPolarHBondContact O-CD1 3.43Å; Q631-I635 VanDerWaalsContact O-CG1 3.23Å; Q631-I635 WeakPolarHBondContact O-CG1 3.18Å; Q631-I635 PolarHBondContact O-N 2.88Å |
| 632 | E | 46.7 | Very low | 58.3 | Low | 111 Ų | 111 | 80.4 Ų | 80.4 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 171.7 | -78 | 171.3 | 163.7 | 0 | 0 | 111.4 | A628 I635 T636 | A628-E632 WeakPolarHBondContact O-CB 3.28Å; A628-E632 WeakPolarHBondContact O-CG 3.27Å; A628-E632 PolarHBondContact O-N 2.93Å; E632-I635 PolarHBondContact O-N 3.27Å; E632-T636 WeakPolarHBondContact O-CA 3.41Å; E632-T636 WeakPolarHBondContact O-CB 3.42Å; E632-T636 PolarHBondContact O-N 3.1Å; E632-T636 PolarHBondContact O-OG1 3.16Å |
| 633 | Q | 53.2 | Low | 58.9 | Low | 112 Ų | 112 | 80.8 Ų | 80.8 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.6 | -87.4 | 176.1 | -3.5 | 0 | 0 | 112.1 | T629 Q631 I635 T636 V637 | T629-Q633 VanDerWaalsContact O-CB 3.3Å; T629-Q633 WeakPolarHBondContact O-CB 3.47Å; T629-Q633 WeakPolarHBondContact O-CG 3.44Å; T629-Q633 PolarHBondContact O-N 3.3Å; Q631-Q633 VanDerWaalsContact C-N 3.35Å; Q631-Q633 PolarHBondContact O-N 3.33Å; Q633-I635 PolarHBondContact O-N 3.04Å; Q633-T636 PolarHBondContact O-N 2.91Å; Q633-V637 WeakPolarHBondContact O-CB 3.36Å; Q633-V637 WeakPolarHBondContact O-CG2 3.3Å; Q633-V637 PolarHBondContact O-N 3.47Å |
| 634 | V | 59.3 | Low | 60.4 | Low | 65 Ų | 65 | 80.8 Ų | 80.8 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | H630 Q631 L638 | H630-V634 WeakPolarHBondContact O-CG2 3.41Å; H630-V634 PolarHBondContact O-N 2.95Å; Q631-V634 PolarHBondContact O-N 3Å; V634-L638 HydrophobicContact CG1-CD1 3.98Å; V634-L638 WeakPolarHBondContact O-CB 3.48Å; V634-L638 WeakPolarHBondContact O-CG 3.48Å; V634-L638 PolarHBondContact O-N 2.8Å |
| 635 | I | 65.2 | Low | 62.4 | Low | 93 Ų | 93 | 75.9 Ų | 75.9 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.7 | -68 | 167.1 | 0 | 0 | 0 | 111 | Q631 E632 Q633 L638 N639 | Q631-I635 WeakPolarHBondContact O-CB 3.45Å; Q631-I635 WeakPolarHBondContact O-CD1 3.43Å; Q631-I635 VanDerWaalsContact O-CG1 3.23Å; Q631-I635 WeakPolarHBondContact O-CG1 3.18Å; Q631-I635 PolarHBondContact O-N 2.88Å; E632-I635 PolarHBondContact O-N 3.27Å; Q633-I635 PolarHBondContact O-N 3.04Å; I635-L638 PolarHBondContact O-N 3.06Å; I635-N639 VanDerWaalsContact O-CB 3.31Å; I635-N639 WeakPolarHBondContact O-CB 3.45Å; I635-N639 PolarHBondContact O-N 2.82Å; I635-N639 PolarHBondContact O-ND2 2.94Å |
| 636 | T | 71.1 | Confident | 64.6 | Low | 77 Ų | 77 | 79.6 Ų | 79.6 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 179.1 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | E632 Q633 N639 K640 | E632-T636 WeakPolarHBondContact O-CA 3.41Å; E632-T636 WeakPolarHBondContact O-CB 3.42Å; E632-T636 PolarHBondContact O-N 3.1Å; E632-T636 PolarHBondContact O-OG1 3.16Å; Q633-T636 PolarHBondContact O-N 2.91Å; T636-N639 PolarHBondContact O-N 3.45Å; T636-K640 WeakPolarHBondContact O-CB 3.47Å; T636-K640 PolarHBondContact O-N 2.69Å |
| 637 | V | 72.5 | Confident | 66.9 | Low | 12 Ų | 12 | 76.7 Ų | 76.7 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | Q633 K640 L641 I661 L686 | Q633-V637 WeakPolarHBondContact O-CB 3.36Å; Q633-V637 WeakPolarHBondContact O-CG2 3.3Å; Q633-V637 PolarHBondContact O-N 3.47Å; V637-K640 PolarHBondContact O-N 3.46Å; V637-L641 WeakPolarHBondContact O-CB 3.4Å; V637-L641 PolarHBondContact O-N 3.34Å; V637-I661 HydrophobicContact CG1-CD1 3.62Å; V637-L686 HydrophobicContact CB-CD1 4.5Å; V637-L686 HydrophobicContact CG1-CD1 3.61Å; V637-L686 HydrophobicContact CG1-CD2 4.29Å; V637-L686 HydrophobicContact CG1-CG 4.17Å |
| 638 | L | 78 | Confident | 69.2 | Low | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.1 | -83.8 | 165.3 | 0 | 0 | 0 | 112.8 | V634 I635 L641 S642 I661 | V634-L638 HydrophobicContact CG1-CD1 3.98Å; V634-L638 WeakPolarHBondContact O-CB 3.48Å; V634-L638 WeakPolarHBondContact O-CG 3.48Å; V634-L638 PolarHBondContact O-N 2.8Å; I635-L638 PolarHBondContact O-N 3.06Å; L638-L641 PolarHBondContact O-N 3.31Å; L638-S642 WeakPolarHBondContact O-CB 3.27Å; L638-S642 PolarHBondContact O-N 2.8Å; L638-S642 PolarHBondContact O-OG 3.22Å; L638-I661 HydrophobicContact CD2-CB 4.33Å; L638-I661 HydrophobicContact CD2-CG1 3.48Å; L638-I661 VanDerWaalsContact CD2-CG1 3.48Å; L638-I661 HydrophobicContact CG-CG1 3.94Å |
| 639 | N | 80.4 | Confident | 71.6 | Confident | 102 Ų | 102 | 74 Ų | 74 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.3 | -74.6 | -19.8 | 0 | 0 | 0 | 111 | I635 T636 S642 L643 | I635-N639 VanDerWaalsContact O-CB 3.31Å; I635-N639 WeakPolarHBondContact O-CB 3.45Å; I635-N639 PolarHBondContact O-N 2.82Å; I635-N639 PolarHBondContact O-ND2 2.94Å; T636-N639 PolarHBondContact O-N 3.45Å; N639-S642 PolarHBondContact O-N 3.33Å; N639-L643 PolarHBondContact O-N 3.02Å |
| 640 | K | 84.6 | Confident | 73.8 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 30% | 0.296 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 176.1 | -170.4 | 179.5 | -176.1 | -171.6 | 0 | 111.5 | T636 V637 S642 L643 L644 N683 L686 | T636-K640 WeakPolarHBondContact O-CB 3.47Å; T636-K640 PolarHBondContact O-N 2.69Å; V637-K640 PolarHBondContact O-N 3.46Å; K640-S642 VanDerWaalsContact C-N 3.31Å; K640-S642 PolarHBondContact O-N 2.64Å; K640-L643 PolarHBondContact O-N 2.94Å; K640-L644 HydrophobicContact CG-CD1 4.06Å; K640-L644 HydrophobicContact CG-CG 4.41Å; K640-L644 WeakPolarHBondContact O-CB 3.32Å; K640-L644 VanDerWaalsContact O-CG 3.27Å; K640-L644 WeakPolarHBondContact O-CG 3.49Å; K640-L644 PolarHBondContact O-N 2.77Å; K640-N683 HydrophobicContact CD-CB 4.48Å; K640-N683 WeakPolarHBondContact CD-OD1 3.47Å; K640-N683 PolarHBondContact NZ-O 2.72Å; K640-L686 HydrophobicContact CB-CD1 4.27Å; K640-L686 HydrophobicContact CD-CD1 4.25Å; K640-L686 HydrophobicContact CG-CD1 4.37Å |
| 641 | L | 85.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 174.8 | 176.6 | 61.8 | 0 | 0 | 0 | 111 | V637 L638 L643 L644 L645 K657 L660 I661 L686 I690 | V637-L641 WeakPolarHBondContact O-CB 3.4Å; V637-L641 PolarHBondContact O-N 3.34Å; L638-L641 PolarHBondContact O-N 3.31Å; L641-L643 VanDerWaalsContact C-N 3.32Å; L641-L643 PolarHBondContact O-N 3.32Å; L641-L644 PolarHBondContact O-N 2.89Å; L641-L645 HydrophobicContact CD1-CD1 3.91Å; L641-L645 HydrophobicContact CD1-CD2 4.39Å; L641-L645 HydrophobicContact CD1-CG 3.89Å; L641-L645 HydrophobicContact CD2-CD1 4.44Å; L641-L645 HydrophobicContact CG-CD1 3.8Å; L641-L645 HydrophobicContact CG-CG 4.24Å; L641-L645 WeakPolarHBondContact O-CB 3.41Å; L641-L645 VanDerWaalsContact O-CG 3.24Å; L641-L645 WeakPolarHBondContact O-CG 3.36Å; L641-L645 PolarHBondContact O-N 2.89Å; L641-K657 HydrophobicContact CD2-CB 4.39Å; L641-L660 HydrophobicContact CD2-CB 4.06Å; L641-L660 HydrophobicContact CD2-CD1 4.3Å; L641-I661 HydrophobicContact CB-CD1 4.14Å; L641-I661 HydrophobicContact CD2-CD1 3.61Å; L641-I661 HydrophobicContact CD2-CG1 3.91Å; L641-I661 HydrophobicContact CG-CD1 4.48Å; L641-L686 HydrophobicContact CB-CD1 4.39Å; L641-L686 HydrophobicContact CB-CD2 4.18Å; L641-L686 HydrophobicContact CD1-CD2 4.21Å; L641-I690 HydrophobicContact CD1-CG2 4.38Å |
| 642 | S | 85 | Confident | 78.5 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 179.5 | -60 | 0 | 0 | 0 | 0 | 112.5 | L638 N639 K640 K646 | L638-S642 WeakPolarHBondContact O-CB 3.27Å; L638-S642 PolarHBondContact O-N 2.8Å; L638-S642 PolarHBondContact O-OG 3.22Å; N639-S642 PolarHBondContact O-N 3.33Å; K640-S642 VanDerWaalsContact C-N 3.31Å; K640-S642 PolarHBondContact O-N 2.64Å; S642-K646 WeakPolarHBondContact O-CB 3.24Å; S642-K646 PolarHBondContact O-N 2.9Å; S642-K646 VanDerWaalsContact O-N 3.14Å |
| 643 | L | 85.5 | Confident | 80.7 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -50 | 174.1 | -169.8 | 77.7 | 0 | 0 | 0 | 111.1 | N639 K640 L641 L645 K646 D647 | N639-L643 PolarHBondContact O-N 3.02Å; K640-L643 PolarHBondContact O-N 2.94Å; L641-L643 VanDerWaalsContact C-N 3.32Å; L641-L643 PolarHBondContact O-N 3.32Å; L643-L645 VanDerWaalsContact C-N 3.34Å; L643-L645 PolarHBondContact O-N 3.31Å; L643-K646 WeakPolarHBondContact O-CB 3.31Å; L643-K646 PolarHBondContact O-N 3.32Å; L643-K646 VanDerWaalsContact O-N 3.15Å; L643-D647 PolarHBondContact O-N 2.79Å |
| 644 | L | 86.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 179.9 | -71.9 | 171.9 | 0 | 0 | 0 | 112.7 | K640 L641 D647 A648 L686 V687 L691 P827 A828 | K640-L644 HydrophobicContact CG-CD1 4.06Å; K640-L644 HydrophobicContact CG-CG 4.41Å; K640-L644 WeakPolarHBondContact O-CB 3.32Å; K640-L644 VanDerWaalsContact O-CG 3.27Å; K640-L644 WeakPolarHBondContact O-CG 3.49Å; K640-L644 PolarHBondContact O-N 2.77Å; L641-L644 PolarHBondContact O-N 2.89Å; L644-D647 PolarHBondContact O-N 3.47Å; L644-A648 WeakPolarHBondContact O-CB 3.26Å; L644-A648 PolarHBondContact O-N 2.92Å; L644-L686 HydrophobicContact CD1-CB 4.28Å; L644-V687 HydrophobicContact CD1-CG2 3.74Å; L644-V687 HydrophobicContact CD2-CG2 4.27Å; L644-L691 HydrophobicContact CB-CD2 3.98Å; L644-L691 HydrophobicContact CD2-CD2 4.13Å; L644-L691 HydrophobicContact CG-CD2 4.48Å; L644-P827 HydrophobicContact CD2-CB 4.21Å; L644-A828 HydrophobicContact CD2-CB 3.77Å |
| 645 | L | 87.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176 | -72 | 170.8 | 0 | 0 | 0 | 111.5 | L641 L643 A648 G649 I650 L652 K657 L691 | L641-L645 HydrophobicContact CD1-CD1 3.91Å; L641-L645 HydrophobicContact CD1-CD2 4.39Å; L641-L645 HydrophobicContact CD1-CG 3.89Å; L641-L645 HydrophobicContact CD2-CD1 4.44Å; L641-L645 HydrophobicContact CG-CD1 3.8Å; L641-L645 HydrophobicContact CG-CG 4.24Å; L641-L645 WeakPolarHBondContact O-CB 3.41Å; L641-L645 VanDerWaalsContact O-CG 3.24Å; L641-L645 WeakPolarHBondContact O-CG 3.36Å; L641-L645 PolarHBondContact O-N 2.89Å; L643-L645 VanDerWaalsContact C-N 3.34Å; L643-L645 PolarHBondContact O-N 3.31Å; L645-A648 CarbonylContact O-C 3.4Å; L645-A648 PolarHBondContact O-N 2.82Å; L645-G649 PolarHBondContact O-N 2.93Å; L645-G649 VanDerWaalsContact O-N 3.1Å; L645-I650 HydrophobicContact CD2-CB 4.08Å; L645-I650 HydrophobicContact CD2-CG2 3.97Å; L645-I650 PolarHBondContact O-N 3.34Å; L645-L652 HydrophobicContact CD1-CB 4.48Å; L645-L652 HydrophobicContact CD1-CD1 3.82Å; L645-L652 HydrophobicContact CD1-CG 4.32Å; L645-L652 HydrophobicContact CD2-CD1 3.85Å; L645-L652 HydrophobicContact CD2-CG 4.41Å; L645-K657 HydrophobicContact CD1-CG 4.11Å; L645-L691 HydrophobicContact CD2-CD1 4.4Å |
| 646 | K | 86.2 | Confident | 85.1 | Confident | 165 Ų | 165 | 63.3 Ų | 63.3 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 175.9 | -175.5 | -175.6 | 176.9 | -173.3 | 0 | 111.2 | S642 L643 A648 G649 | S642-K646 WeakPolarHBondContact O-CB 3.24Å; S642-K646 PolarHBondContact O-N 2.9Å; S642-K646 VanDerWaalsContact O-N 3.14Å; L643-K646 WeakPolarHBondContact O-CB 3.31Å; L643-K646 PolarHBondContact O-N 3.32Å; L643-K646 VanDerWaalsContact O-N 3.15Å; K646-A648 VanDerWaalsContact C-N 3.25Å; K646-A648 PolarHBondContact O-N 3.03Å; K646-G649 PolarHBondContact O-N 3.46Å |
| 647 | D | 84.7 | Confident | 86.1 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -29.9 | 179.1 | -67.5 | -14 | 0 | 0 | 0 | 112 | L643 L644 G649 P827 | L643-D647 PolarHBondContact O-N 2.79Å; L644-D647 PolarHBondContact O-N 3.47Å; D647-G649 VanDerWaalsContact C-N 3.32Å; D647-P827 HydrophobicContact CB-CB 3.94Å; D647-P827 HydrophobicContact CB-CG 3.84Å |
| 648 | A | 84.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 24% | 0.24 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L644 L645 K646 I650 L691 P827 | L644-A648 WeakPolarHBondContact O-CB 3.26Å; L644-A648 PolarHBondContact O-N 2.92Å; L645-A648 CarbonylContact O-C 3.4Å; L645-A648 PolarHBondContact O-N 2.82Å; K646-A648 VanDerWaalsContact C-N 3.25Å; K646-A648 PolarHBondContact O-N 3.03Å; A648-I650 VanDerWaalsContact C-N 3.29Å; A648-I650 HydrophobicContact CB-CD1 3.69Å; A648-I650 HydrophobicContact CB-CG1 4.1Å; A648-I650 PolarHBondContact O-N 2.87Å; A648-L691 HydrophobicContact CB-CD1 3.93Å; A648-P827 HydrophobicContact CB-CG 3.9Å |
| 649 | G | 86 | Confident | 87.7 | Confident | 70 Ų | 70 | 64.4 Ų | 64.4 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 20.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L645 K646 D647 | L645-G649 PolarHBondContact O-N 2.93Å; L645-G649 VanDerWaalsContact O-N 3.1Å; K646-G649 PolarHBondContact O-N 3.46Å; D647-G649 VanDerWaalsContact C-N 3.32Å |
| 650 | I | 86.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 19% | 0.185 | 34% | 0.335 | C | S | . | . | trans | -100 | 123.3 | -176.3 | -60.8 | 160.3 | 0 | 0 | 0 | 109.7 | L645 A648 L652 L691 I694 V695 | L645-I650 HydrophobicContact CD2-CB 4.08Å; L645-I650 HydrophobicContact CD2-CG2 3.97Å; L645-I650 PolarHBondContact O-N 3.34Å; A648-I650 VanDerWaalsContact C-N 3.29Å; A648-I650 HydrophobicContact CB-CD1 3.69Å; A648-I650 HydrophobicContact CB-CG1 4.1Å; A648-I650 PolarHBondContact O-N 2.87Å; I650-L652 HydrophobicContact CG2-CD2 4.12Å; I650-L652 HydrophobicContact CG2-CG 4.02Å; I650-L691 HydrophobicContact CD1-CD1 4.34Å; I650-I694 HydrophobicContact CD1-CG2 3.74Å; I650-I694 HydrophobicContact CG2-CG2 4.12Å; I650-V695 HydrophobicContact CD1-CG1 4.19Å | ||
| 651 | S | 88.8 | Confident | 88.7 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 83% | 0.832 | 32% | 0.323 | S | S | * | . | trans | -101 | 121.5 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 652 | L | 90.5 | Very high | 89 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | trans | -125 | 148.5 | 176.7 | -62.8 | -177.6 | 0 | 0 | 0 | 110.6 | L645 I650 Q656 K657 L660 V722 | L645-L652 HydrophobicContact CD1-CB 4.48Å; L645-L652 HydrophobicContact CD1-CD1 3.82Å; L645-L652 HydrophobicContact CD1-CG 4.32Å; L645-L652 HydrophobicContact CD2-CD1 3.85Å; L645-L652 HydrophobicContact CD2-CG 4.41Å; I650-L652 HydrophobicContact CG2-CD2 4.12Å; I650-L652 HydrophobicContact CG2-CG 4.02Å; L652-Q656 HydrophobicContact CB-CB 4.12Å; L652-K657 HydrophobicContact CB-CG 4.17Å; L652-K657 VanDerWaalsContact O-CE 3.23Å; L652-K657 WeakPolarHBondContact O-CE 3.47Å; L652-L660 HydrophobicContact CD1-CD1 3.62Å; L652-V722 HydrophobicContact CD1-CG1 3.82Å; L652-V722 HydrophobicContact CD2-CB 3.95Å; L652-V722 HydrophobicContact CD2-CG1 3.55Å; L652-V722 HydrophobicContact CG-CG1 4.36Å | ||
| 653 | T | 91.8 | Very high | 89.5 | Confident | 78 Ų | 78 | 56 Ų | 56 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | trans | -65.9 | 157.3 | 170.5 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | H655 Q656 K657 | T653-H655 PolarHBondContact O-N 3.48Å; T653-Q656 PolarHBondContact O-N 3.49Å; T653-Q656 VanDerWaalsContact O-N 3.14Å; T653-Q656 VanDerWaalsContact OG1-CG 3.31Å; T653-Q656 WeakPolarHBondContact OG1-CG 3.39Å; T653-Q656 PolarHBondContact OG1-N 3.46Å; T653-Q656 PolarHBondContact OG1-OE1 3.42Å; T653-K657 WeakPolarHBondContact O-CG 3.43Å; T653-K657 PolarHBondContact O-N 3.17Å | ||
| 654 | D | 87.4 | Confident | 89.9 | Confident | 112 Ų | 112 | 51.2 Ų | 51.2 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.5 | -28.3 | 176.3 | -65.3 | -27 | 0 | 0 | 0 | 112 | K657 N658 | D654-K657 IonicContact OD1-NZ 3.5Å; D654-K657 PolarHBondContact OD1-NZ 2.95Å; D654-N658 WeakPolarHBondContact O-CB 3.47Å; D654-N658 PolarHBondContact O-N 2.81Å; D654-N658 PolarHBondContact O-ND2 3.07Å |
| 655 | H | 91 | Very high | 90 | Very high | 122 Ų | 122 | 54.2 Ų | 54.2 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.1 | -50.3 | 171.7 | -175.2 | 64.8 | 0 | 0 | 0 | 111.9 | T653 K657 N658 Q659 | T653-H655 PolarHBondContact O-N 3.48Å; H655-K657 PolarHBondContact O-N 2.89Å; H655-N658 PolarHBondContact O-N 2.84Å; H655-Q659 PolarHBondContact O-N 2.84Å |
| 656 | Q | 93.5 | Very high | 90.3 | Very high | 25 Ų | 25 | 55 Ų | 55 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 178.2 | -72 | 168.2 | -53.4 | 0 | 0 | 111.9 | L652 T653 N658 Q659 L660 I721 | L652-Q656 HydrophobicContact CB-CB 4.12Å; T653-Q656 PolarHBondContact O-N 3.49Å; T653-Q656 VanDerWaalsContact O-N 3.14Å; T653-Q656 VanDerWaalsContact OG1-CG 3.31Å; T653-Q656 WeakPolarHBondContact OG1-CG 3.39Å; T653-Q656 PolarHBondContact OG1-N 3.46Å; T653-Q656 PolarHBondContact OG1-OE1 3.42Å; Q656-N658 VanDerWaalsContact C-N 3.3Å; Q656-N658 PolarHBondContact O-N 3.44Å; Q656-Q659 PolarHBondContact O-N 2.82Å; Q656-L660 WeakPolarHBondContact O-CG 3.36Å; Q656-L660 PolarHBondContact O-N 3.27Å; Q656-I721 HydrophobicContact CB-CG2 3.86Å; Q656-I721 HydrophobicContact CG-CG2 4.07Å; Q656-I721 WeakPolarHBondContact CG-O 3.35Å; Q656-I721 PolarHBondContact NE2-O 2.89Å |
| 657 | K | 92.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.7 | -66.8 | 174.5 | -162.6 | 155 | 0 | 111.2 | L641 L645 L652 T653 D654 H655 L660 I661 | L641-K657 HydrophobicContact CD2-CB 4.39Å; L645-K657 HydrophobicContact CD1-CG 4.11Å; L652-K657 HydrophobicContact CB-CG 4.17Å; L652-K657 VanDerWaalsContact O-CE 3.23Å; L652-K657 WeakPolarHBondContact O-CE 3.47Å; T653-K657 WeakPolarHBondContact O-CG 3.43Å; T653-K657 PolarHBondContact O-N 3.17Å; D654-K657 IonicContact OD1-NZ 3.5Å; D654-K657 PolarHBondContact OD1-NZ 2.95Å; H655-K657 PolarHBondContact O-N 2.89Å; K657-L660 PolarHBondContact O-N 3.01Å; K657-I661 WeakPolarHBondContact O-CG1 3.19Å; K657-I661 PolarHBondContact O-N 2.84Å |
| 658 | N | 89.5 | Confident | 90.8 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 178.1 | -72.6 | -30.4 | 0 | 0 | 0 | 112.1 | D654 H655 Q656 I661 A662 | D654-N658 WeakPolarHBondContact O-CB 3.47Å; D654-N658 PolarHBondContact O-N 2.81Å; D654-N658 PolarHBondContact O-ND2 3.07Å; H655-N658 PolarHBondContact O-N 2.84Å; Q656-N658 VanDerWaalsContact C-N 3.3Å; Q656-N658 PolarHBondContact O-N 3.44Å; N658-I661 PolarHBondContact O-N 2.98Å; N658-A662 VanDerWaalsContact O-CB 3.32Å; N658-A662 WeakPolarHBondContact O-CB 3.45Å; N658-A662 PolarHBondContact O-N 2.82Å |
| 659 | Q | 94.5 | Very high | 91 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 173.8 | -73.8 | 178.3 | -54.8 | 0 | 0 | 111.9 | H655 Q656 I661 A662 Y663 I721 L748 | H655-Q659 PolarHBondContact O-N 2.84Å; Q656-Q659 PolarHBondContact O-N 2.82Å; Q659-I661 PolarHBondContact O-N 2.88Å; Q659-A662 PolarHBondContact O-N 3.29Å; Q659-Y663 WeakPolarHBondContact O-CB 3.36Å; Q659-Y663 PolarHBondContact O-N 2.7Å; Q659-I721 HydrophobicContact CB-CD1 3.97Å; Q659-I721 HydrophobicContact CB-CG1 4.19Å; Q659-I721 HydrophobicContact CB-CG2 4.04Å; Q659-L748 PolarHBondContact NE2-O 3.06Å; Q659-L748 VanDerWaalsContact NE2-O 3.08Å |
| 660 | L | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.5 | -68.8 | 173 | 0 | 0 | 0 | 112.2 | L641 L652 Q656 K657 Y663 V664 I690 I694 P718 I721 | L641-L660 HydrophobicContact CD2-CB 4.06Å; L641-L660 HydrophobicContact CD2-CD1 4.3Å; L652-L660 HydrophobicContact CD1-CD1 3.62Å; Q656-L660 WeakPolarHBondContact O-CG 3.36Å; Q656-L660 PolarHBondContact O-N 3.27Å; K657-L660 PolarHBondContact O-N 3.01Å; L660-Y663 PolarHBondContact O-N 3.11Å; L660-V664 WeakPolarHBondContact O-CG2 3.28Å; L660-V664 PolarHBondContact O-N 2.86Å; L660-I690 HydrophobicContact CB-CG2 4.39Å; L660-I690 HydrophobicContact CD1-CG2 4.01Å; L660-I690 HydrophobicContact CD2-CG2 3.85Å; L660-I690 HydrophobicContact CG-CG2 4.3Å; L660-I694 HydrophobicContact CD1-CD1 3.58Å; L660-I694 HydrophobicContact CD2-CD1 4.03Å; L660-I694 HydrophobicContact CG-CD1 4.48Å; L660-P718 HydrophobicContact CD2-CB 4.33Å; L660-I721 HydrophobicContact CD2-CB 4.22Å; L660-I721 HydrophobicContact CD2-CD1 3.73Å; L660-I721 HydrophobicContact CD2-CG2 4.13Å; L660-I721 HydrophobicContact CG-CD1 4.35Å; L660-I721 HydrophobicContact CG-CG2 4.02Å |
| 661 | I | 91.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 176.3 | -66.8 | -46.6 | 0 | 0 | 0 | 111.8 | V637 L638 L641 K657 N658 Q659 Y663 V664 N665 L686 | V637-I661 HydrophobicContact CG1-CD1 3.62Å; L638-I661 HydrophobicContact CD2-CB 4.33Å; L638-I661 HydrophobicContact CD2-CG1 3.48Å; L638-I661 VanDerWaalsContact CD2-CG1 3.48Å; L638-I661 HydrophobicContact CG-CG1 3.94Å; L641-I661 HydrophobicContact CB-CD1 4.14Å; L641-I661 HydrophobicContact CD2-CD1 3.61Å; L641-I661 HydrophobicContact CD2-CG1 3.91Å; L641-I661 HydrophobicContact CG-CD1 4.48Å; K657-I661 WeakPolarHBondContact O-CG1 3.19Å; K657-I661 PolarHBondContact O-N 2.84Å; N658-I661 PolarHBondContact O-N 2.98Å; Q659-I661 PolarHBondContact O-N 2.88Å; I661-Y663 VanDerWaalsContact C-N 3.31Å; I661-Y663 PolarHBondContact O-N 2.94Å; I661-V664 PolarHBondContact O-N 2.84Å; I661-N665 VanDerWaalsContact O-CG 3.29Å; I661-N665 PolarHBondContact O-N 2.78Å; I661-N665 PolarHBondContact O-ND2 2.82Å; I661-L686 HydrophobicContact CD1-CD2 3.79Å |
| 662 | A | 91.9 | Very high | 90.7 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | N658 Q659 N665 M666 L748 | N658-A662 VanDerWaalsContact O-CB 3.32Å; N658-A662 WeakPolarHBondContact O-CB 3.45Å; N658-A662 PolarHBondContact O-N 2.82Å; Q659-A662 PolarHBondContact O-N 3.29Å; A662-N665 PolarHBondContact O-N 3.18Å; A662-M666 VanDerWaalsContact O-CG 3.27Å; A662-M666 WeakPolarHBondContact O-CG 3.5Å; A662-M666 PolarHBondContact O-N 3.33Å; A662-L748 HydrophobicContact CB-CD2 3.42Å; A662-L748 VanDerWaalsContact CB-CD2 3.42Å |
| 663 | Y | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 173.4 | 175.8 | -124.7 | 0 | 0 | 0 | 112.7 | Q659 L660 I661 N665 M666 L667 I690 P712 L714 I717 P718 F740 V744 | Q659-Y663 WeakPolarHBondContact O-CB 3.36Å; Q659-Y663 PolarHBondContact O-N 2.7Å; L660-Y663 PolarHBondContact O-N 3.11Å; I661-Y663 VanDerWaalsContact C-N 3.31Å; I661-Y663 PolarHBondContact O-N 2.94Å; Y663-N665 VanDerWaalsContact C-N 3.29Å; Y663-N665 PolarHBondContact O-N 2.82Å; Y663-M666 WeakPolarHBondContact O-CB 3.47Å; Y663-M666 PolarHBondContact O-N 2.85Å; Y663-M666 VanDerWaalsContact O-N 3.17Å; Y663-L667 WeakPolarHBondContact O-CB 3.5Å; Y663-L667 PolarHBondContact O-N 2.78Å; Y663-I690 HydrophobicContact CD1-CD1 3.57Å; Y663-I690 HydrophobicContact CE1-CD1 3.77Å; Y663-P712 PolarHBondContact OH-O 3.04Å; Y663-L714 HydrophobicContact CE1-CD2 3.92Å; Y663-I717 HydrophobicContact CD1-CG2 3.89Å; Y663-I717 HydrophobicContact CD2-CG2 3.74Å; Y663-I717 HydrophobicContact CE1-CB 4.28Å; Y663-I717 HydrophobicContact CE1-CG2 4.01Å; Y663-I717 HydrophobicContact CE2-CB 4.2Å; Y663-I717 HydrophobicContact CE2-CG1 4.31Å; Y663-I717 HydrophobicContact CE2-CG2 3.87Å; Y663-I717 HydrophobicContact CG-CG2 3.76Å; Y663-P718 HydrophobicContact CE1-CG 4.19Å; Y663-F740 HydrophobicContact CD2-CZ 4.47Å; Y663-F740 AromaticContact CE2-CE1 3.92Å; Y663-F740 HydrophobicContact CE2-CE1 3.92Å; Y663-F740 AromaticContact CE2-CZ 3.96Å; Y663-F740 HydrophobicContact CE2-CZ 3.96Å; Y663-V744 HydrophobicContact CD2-CG1 3.84Å; Y663-V744 HydrophobicContact CD2-CG2 4Å; Y663-V744 HydrophobicContact CE2-CG1 4.32Å; Y663-V744 HydrophobicContact CE2-CG2 4.15Å |
| 664 | V | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 176.7 | 170 | 0 | 0 | 0 | 0 | 111.4 | L660 I661 L667 H668 P682 M685 L686 I690 | L660-V664 WeakPolarHBondContact O-CG2 3.28Å; L660-V664 PolarHBondContact O-N 2.86Å; I661-V664 PolarHBondContact O-N 2.84Å; V664-L667 PolarHBondContact O-N 2.98Å; V664-H668 VanDerWaalsContact O-CB 3.3Å; V664-H668 WeakPolarHBondContact O-CB 3.27Å; V664-H668 PolarHBondContact O-N 2.86Å; V664-P682 HydrophobicContact CG1-CB 4.13Å; V664-M685 HydrophobicContact CG1-CB 4.15Å; V664-M685 HydrophobicContact CG1-SD 4.26Å; V664-L686 HydrophobicContact CG2-CD2 4.02Å; V664-I690 HydrophobicContact CG2-CD1 3.74Å; V664-I690 HydrophobicContact CG2-CG1 3.47Å; V664-I690 VanDerWaalsContact CG2-CG1 3.47Å |
| 665 | N | 90.2 | Very high | 89 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 177.1 | -71.2 | -32 | 0 | 0 | 0 | 111.9 | I661 A662 Y663 K669 | I661-N665 VanDerWaalsContact O-CG 3.29Å; I661-N665 PolarHBondContact O-N 2.78Å; I661-N665 PolarHBondContact O-ND2 2.82Å; A662-N665 PolarHBondContact O-N 3.18Å; Y663-N665 VanDerWaalsContact C-N 3.29Å; Y663-N665 PolarHBondContact O-N 2.82Å; N665-K669 VanDerWaalsContact O-CB 3.25Å; N665-K669 WeakPolarHBondContact O-CB 3.39Å; N665-K669 PolarHBondContact O-N 3.39Å |
| 666 | M | 92.6 | Very high | 88.6 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 174.7 | -70 | 178.1 | 75.7 | 0 | 0 | 111.4 | A662 Y663 K669 W670 F740 Q743 V744 E747 L748 | A662-M666 VanDerWaalsContact O-CG 3.27Å; A662-M666 WeakPolarHBondContact O-CG 3.5Å; A662-M666 PolarHBondContact O-N 3.33Å; Y663-M666 WeakPolarHBondContact O-CB 3.47Å; Y663-M666 PolarHBondContact O-N 2.85Å; Y663-M666 VanDerWaalsContact O-N 3.17Å; M666-K669 PolarHBondContact O-N 2.84Å; M666-W670 WeakPolarHBondContact O-CB 3.48Å; M666-W670 PolarHBondContact O-N 2.83Å; M666-F740 HydrophobicContact CB-CE2 4.19Å; M666-Q743 HydrophobicContact CE-CB 4.34Å; M666-Q743 HydrophobicContact CE-CG 3.7Å; M666-V744 HydrophobicContact CE-CB 4.31Å; M666-V744 HydrophobicContact CE-CG2 3.81Å; M666-V744 HydrophobicContact SD-CG2 4.24Å; M666-E747 HydrophobicContact CE-CB 3.61Å; M666-E747 HydrophobicContact CE-CG 4.01Å; M666-E747 HydrophobicContact SD-CB 3.69Å; M666-E747 HydrophobicContact SD-CG 3.71Å; M666-L748 HydrophobicContact SD-CD2 4.27Å; M666-L748 HydrophobicContact SD-CG 4.33Å |
| 667 | L | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -51.4 | 177 | -174.3 | 60.9 | 0 | 0 | 0 | 110.4 | Y663 V664 K669 W670 N671 L676 T677 M685 P712 F740 | Y663-L667 WeakPolarHBondContact O-CB 3.5Å; Y663-L667 PolarHBondContact O-N 2.78Å; V664-L667 PolarHBondContact O-N 2.98Å; L667-K669 VanDerWaalsContact C-N 3.29Å; L667-K669 PolarHBondContact O-N 3.15Å; L667-W670 PolarHBondContact O-N 2.81Å; L667-N671 WeakPolarHBondContact O-CB 3.26Å; L667-N671 PolarHBondContact O-N 3.1Å; L667-L676 HydrophobicContact CD1-CB 4.24Å; L667-L676 HydrophobicContact CD1-CD1 4.15Å; L667-T677 HydrophobicContact CD1-CG2 3.69Å; L667-T677 HydrophobicContact CD2-CG2 4.02Å; L667-T677 HydrophobicContact CG-CG2 4.12Å; L667-M685 HydrophobicContact CD2-SD 4.2Å; L667-M685 HydrophobicContact CG-CE 4.41Å; L667-M685 HydrophobicContact CG-SD 4.31Å; L667-P712 HydrophobicContact CD1-CB 3.57Å; L667-P712 HydrophobicContact CD1-CG 4.26Å; L667-F740 HydrophobicContact CB-CZ 4.09Å; L667-F740 HydrophobicContact CD1-CE1 3.83Å; L667-F740 HydrophobicContact CD1-CZ 3.81Å |
| 668 | H | 89.9 | Confident | 88 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 177.1 | -179.9 | 70.8 | 0 | 0 | 0 | 112.7 | V664 K672 R680 P682 M685 | V664-H668 VanDerWaalsContact O-CB 3.3Å; V664-H668 WeakPolarHBondContact O-CB 3.27Å; V664-H668 PolarHBondContact O-N 2.86Å; H668-K672 WeakPolarHBondContact NE2-CE 3.4Å; H668-K672 PolarHBondContact NE2-NZ 3.17Å; H668-R680 PolarHBondContact CE1-O 2.91Å; H668-R680 VanDerWaalsContact CE1-O 3.23Å; H668-R680 PolarHBondContact ND1-O 3.27Å; H668-P682 HydrophobicContact CB-CG 4.28Å; H668-M685 HydrophobicContact CB-CE 4.21Å; H668-M685 HydrophobicContact CB-SD 4.05Å |
| 669 | K | 87.4 | Confident | 87.7 | Confident | 151 Ų | 151 | 45.4 Ų | 45.4 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.2 | -51.2 | 177.2 | 179.7 | -177.1 | 174.8 | -173.3 | 0 | 111.7 | N665 M666 L667 N671 K672 | N665-K669 VanDerWaalsContact O-CB 3.25Å; N665-K669 WeakPolarHBondContact O-CB 3.39Å; N665-K669 PolarHBondContact O-N 3.39Å; M666-K669 PolarHBondContact O-N 2.84Å; L667-K669 VanDerWaalsContact C-N 3.29Å; L667-K669 PolarHBondContact O-N 3.15Å; K669-N671 VanDerWaalsContact C-N 3.35Å; K669-K672 PolarHBondContact O-N 3.22Å |
| 670 | W | 88.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 51 Ų | 51 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.3 | -30.2 | -176.9 | -83.3 | 66.4 | 0 | 0 | 0 | 112.5 | M666 L667 K672 A673 Y674 L676 F740 Q743 | M666-W670 WeakPolarHBondContact O-CB 3.48Å; M666-W670 PolarHBondContact O-N 2.83Å; L667-W670 PolarHBondContact O-N 2.81Å; W670-K672 PolarHBondContact O-N 2.98Å; W670-A673 PolarHBondContact O-N 2.94Å; W670-Y674 HydrophobicContact CB-CD2 4.39Å; W670-Y674 HydrophobicContact CD2-CD2 4.09Å; W670-Y674 HydrophobicContact CD2-CE2 4.06Å; W670-Y674 AromaticContact CE3-CD2 3.36Å; W670-Y674 HydrophobicContact CE3-CD2 3.36Å; W670-Y674 AromaticContact CE3-CE2 3.39Å; W670-Y674 HydrophobicContact CE3-CE2 3.39Å; W670-Y674 HydrophobicContact CE3-CG 4.3Å; W670-Y674 HydrophobicContact CH2-CE2 4.45Å; W670-Y674 AromaticContact CZ3-CD2 3.98Å; W670-Y674 HydrophobicContact CZ3-CD2 3.98Å; W670-Y674 AromaticContact CZ3-CE2 3.63Å; W670-Y674 HydrophobicContact CZ3-CE2 3.63Å; W670-Y674 PolarHBondContact O-N 3.4Å; W670-L676 HydrophobicContact CB-CD1 3.63Å; W670-F740 HydrophobicContact CB-CD2 3.77Å; W670-F740 HydrophobicContact CB-CE2 3.83Å; W670-F740 HydrophobicContact CD2-CB 4.46Å; W670-F740 AromaticContact CD2-CD2 3.5Å; W670-F740 HydrophobicContact CD2-CD2 3.5Å; W670-F740 HydrophobicContact CD2-CE2 4.23Å; W670-F740 HydrophobicContact CD2-CG 4.42Å; W670-F740 HydrophobicContact CE3-CB 3.8Å; W670-F740 AromaticContact CE3-CD2 3.71Å; W670-F740 HydrophobicContact CE3-CD2 3.71Å; W670-F740 HydrophobicContact CE3-CG 4.2Å; W670-F740 AromaticContact CG-CD2 3.52Å; W670-F740 HydrophobicContact CG-CD2 3.52Å; W670-F740 AromaticContact CG-CE2 3.77Å; W670-F740 HydrophobicContact CG-CE2 3.77Å; W670-F740 HydrophobicContact CZ3-CB 3.97Å; W670-F740 HydrophobicContact CZ3-CD2 4.45Å; W670-Q743 HydrophobicContact CH2-CB 4.33Å; W670-Q743 HydrophobicContact CZ2-CB 3.86Å; W670-Q743 HydrophobicContact CZ2-CG 3.81Å |
| 671 | N | 85.9 | Confident | 86.8 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -31.8 | 178.2 | -157.8 | 35 | 0 | 0 | 0 | 111.8 | L667 K669 A673 N675 L676 T677 V679 | L667-N671 WeakPolarHBondContact O-CB 3.26Å; L667-N671 PolarHBondContact O-N 3.1Å; K669-N671 VanDerWaalsContact C-N 3.35Å; N671-A673 PolarHBondContact O-N 2.85Å; N671-N675 PolarHBondContact O-N 3.44Å; N671-N675 VanDerWaalsContact O-N 3.12Å; N671-N675 PolarHBondContact O-OD1 2.86Å; N671-N675 WeakPolarHBondContact OD1-CA 3.46Å; N671-L676 WeakPolarHBondContact OD1-CA 3.41Å; N671-L676 PolarHBondContact OD1-N 3.24Å; N671-T677 PolarHBondContact ND2-O 3.18Å; N671-T677 PolarHBondContact OD1-N 3.37Å; N671-T677 PolarHBondContact OD1-O 3.42Å; N671-T677 VanDerWaalsContact OD1-O 3.1Å; N671-V679 PolarHBondContact ND2-O 2.96Å |
| 672 | K | 80.8 | Confident | 86.4 | Confident | 157 Ų | 157 | 55.2 Ų | 55.2 | 68% | 0.683 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.1 | -23.9 | 176 | -65.9 | 176.3 | -174.9 | 179.6 | 0 | 114 | H668 K669 W670 | H668-K672 WeakPolarHBondContact NE2-CE 3.4Å; H668-K672 PolarHBondContact NE2-NZ 3.17Å; K669-K672 PolarHBondContact O-N 3.22Å; W670-K672 PolarHBondContact O-N 2.98Å |
| 673 | A | 75.5 | Confident | 86.1 | Confident | 76 Ų | 76 | 56 Ų | 56 | 63% | 0.628 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -108.5 | -30.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | W670 N671 | W670-A673 PolarHBondContact O-N 2.94Å; N671-A673 PolarHBondContact O-N 2.85Å |
| 674 | Y | 77.3 | Confident | 85.7 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -121.4 | -2.6 | -167.5 | -63.9 | -75.2 | 0 | 0 | 0 | 115.4 | W670 L676 | W670-Y674 HydrophobicContact CB-CD2 4.39Å; W670-Y674 HydrophobicContact CD2-CD2 4.09Å; W670-Y674 HydrophobicContact CD2-CE2 4.06Å; W670-Y674 AromaticContact CE3-CD2 3.36Å; W670-Y674 HydrophobicContact CE3-CD2 3.36Å; W670-Y674 AromaticContact CE3-CE2 3.39Å; W670-Y674 HydrophobicContact CE3-CE2 3.39Å; W670-Y674 HydrophobicContact CE3-CG 4.3Å; W670-Y674 HydrophobicContact CH2-CE2 4.45Å; W670-Y674 AromaticContact CZ3-CD2 3.98Å; W670-Y674 HydrophobicContact CZ3-CD2 3.98Å; W670-Y674 AromaticContact CZ3-CE2 3.63Å; W670-Y674 HydrophobicContact CZ3-CE2 3.63Å; W670-Y674 PolarHBondContact O-N 3.4Å; Y674-L676 VanDerWaalsContact C-N 3.33Å; Y674-L676 PolarHBondContact O-N 2.86Å |
| 675 | N | 81.6 | Confident | 85.6 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | trans | 46.1 | 55.6 | -176.8 | -72 | -20.6 | 0 | 0 | 0 | 112 | E450 N671 | E450-N675 PolarHBondContact OE1-ND2 2.85Å; N671-N675 PolarHBondContact O-N 3.44Å; N671-N675 VanDerWaalsContact O-N 3.12Å; N671-N675 PolarHBondContact O-OD1 2.86Å; N671-N675 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 676 | L | 83.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -69.7 | -34 | -179.2 | -62.7 | 177.2 | 0 | 0 | 0 | 112.7 | L667 W670 N671 Y674 P712 R737 F740 | L667-L676 HydrophobicContact CD1-CB 4.24Å; L667-L676 HydrophobicContact CD1-CD1 4.15Å; W670-L676 HydrophobicContact CB-CD1 3.63Å; N671-L676 WeakPolarHBondContact OD1-CA 3.41Å; N671-L676 PolarHBondContact OD1-N 3.24Å; Y674-L676 VanDerWaalsContact C-N 3.33Å; Y674-L676 PolarHBondContact O-N 2.86Å; L676-P712 HydrophobicContact CB-CB 4.26Å; L676-R737 HydrophobicContact CD2-CG 4.3Å; L676-F740 HydrophobicContact CD1-CB 4.05Å; L676-F740 HydrophobicContact CD1-CD1 3.69Å; L676-F740 HydrophobicContact CD1-CD2 3.74Å; L676-F740 HydrophobicContact CD1-CE1 4Å; L676-F740 HydrophobicContact CD1-CE2 4.05Å; L676-F740 HydrophobicContact CD1-CG 3.52Å; L676-F740 HydrophobicContact CD1-CZ 4.18Å; L676-F740 HydrophobicContact CD2-CB 4.45Å | ||
| 677 | T | 85.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | trans | -144.7 | 155 | 178.9 | 106.7 | 0 | 0 | 0 | 0 | 111.4 | L667 N671 V679 H689 P712 | L667-T677 HydrophobicContact CD1-CG2 3.69Å; L667-T677 HydrophobicContact CD2-CG2 4.02Å; L667-T677 HydrophobicContact CG-CG2 4.12Å; N671-T677 PolarHBondContact ND2-O 3.18Å; N671-T677 PolarHBondContact OD1-N 3.37Å; N671-T677 PolarHBondContact OD1-O 3.42Å; N671-T677 VanDerWaalsContact OD1-O 3.1Å; T677-V679 VanDerWaalsContact C-N 3.33Å; T677-V679 PolarHBondContact OG1-N 3.41Å; T677-V679 VanDerWaalsContact OG1-N 3.15Å; T677-V679 PolarHBondContact OG1-O 2.95Å; T677-H689 PolarHBondContact OG1-NE2 3.16Å; T677-P712 HydrophobicContact CG2-CB 4.27Å; T677-P712 HydrophobicContact CG2-CG 3.79Å | ||
| 678 | S | 85.5 | Confident | 85.2 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -74 | -20.3 | 176.6 | 55.6 | 0 | 0 | 0 | 0 | 114 | ||
| 679 | V | 84.5 | Confident | 85.3 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | trans | -84.1 | 123.9 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | N671 T677 E684 M685 H689 | N671-V679 PolarHBondContact ND2-O 2.96Å; T677-V679 VanDerWaalsContact C-N 3.33Å; T677-V679 PolarHBondContact OG1-N 3.41Å; T677-V679 VanDerWaalsContact OG1-N 3.15Å; T677-V679 PolarHBondContact OG1-O 2.95Å; V679-E684 HydrophobicContact CG1-CB 3.49Å; V679-E684 VanDerWaalsContact CG1-CB 3.49Å; V679-M685 HydrophobicContact CB-CG 4.46Å; V679-M685 HydrophobicContact CG1-CG 3.92Å; V679-M685 WeakPolarHBondContact O-CE 3.28Å; V679-H689 WeakPolarHBondContact CB-NE2 3.49Å | ||
| 680 | R | 83.4 | Confident | 85.6 | Confident | 137 Ų | 137 | 52.7 Ų | 52.7 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | trans | -108.2 | -24.7 | -175.3 | -63.1 | -176.9 | 178.8 | 175.7 | 0.8 | 113.5 | E454 H668 | E454-R680 VanDerWaalsContact CD-NH2 3.27Å; E454-R680 IonicContact OE1-NH2 2.76Å; E454-R680 PolarHBondContact OE1-NH2 2.77Å; E454-R680 IonicContact OE2-CZ 2.85Å; E454-R680 IonicContact OE2-NH1 2.66Å; E454-R680 IonicContact OE2-NH2 3.71Å; E454-R680 PolarHBondContact OE2-NH2 2.71Å; H668-R680 PolarHBondContact CE1-O 2.91Å; H668-R680 VanDerWaalsContact CE1-O 3.23Å; H668-R680 PolarHBondContact ND1-O 3.27Å | ||
| 681 | D | 84.8 | Confident | 85.7 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -81.5 | 122.2 | 179.3 | 172.3 | 40 | 0 | 0 | 0 | 111.5 | N683 E684 M685 | D681-N683 PolarHBondContact O-N 2.94Å; D681-N683 PolarHBondContact OD1-N 2.86Å; D681-N683 VanDerWaalsContact OD2-CB 3.24Å; D681-N683 WeakPolarHBondContact OD2-CB 3.42Å; D681-N683 PolarHBondContact OD2-N 3.39Å; D681-E684 HydrophobicContact CB-CB 4.25Å; D681-E684 HydrophobicContact CB-CG 4.29Å; D681-E684 PolarHBondContact O-N 3.43Å; D681-E684 VanDerWaalsContact O-N 3.13Å; D681-E684 PolarHBondContact OD2-N 3Å; D681-E684 VanDerWaalsContact OD2-N 3.1Å; D681-M685 WeakPolarHBondContact O-CG 3.45Å; D681-M685 PolarHBondContact O-N 3.45Å | ||
| 682 | P | 84.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.6 | -32.9 | 177.2 | -27.5 | 35.5 | 0 | 0 | 0 | 114.2 | V664 H668 M685 L686 | V664-P682 HydrophobicContact CG1-CB 4.13Å; H668-P682 HydrophobicContact CB-CG 4.28Å; P682-M685 WeakPolarHBondContact O-CB 3.34Å; P682-M685 PolarHBondContact O-N 3.48Å; P682-L686 PolarHBondContact O-N 3.13Å; P682-L686 VanDerWaalsContact O-N 3.12Å |
| 683 | N | 84.3 | Confident | 86.6 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.3 | -35 | 179.7 | -81.1 | -52.9 | 0 | 0 | 0 | 112.7 | K640 D681 | K640-N683 HydrophobicContact CD-CB 4.48Å; K640-N683 WeakPolarHBondContact CD-OD1 3.47Å; K640-N683 PolarHBondContact NZ-O 2.72Å; D681-N683 PolarHBondContact O-N 2.94Å; D681-N683 PolarHBondContact OD1-N 2.86Å; D681-N683 VanDerWaalsContact OD2-CB 3.24Å; D681-N683 WeakPolarHBondContact OD2-CB 3.42Å; D681-N683 PolarHBondContact OD2-N 3.39Å |
| 684 | E | 86.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 39.2 Ų | 39.2 | 38% | 0.379 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.8 | -36.5 | 168.9 | -73.9 | -169.8 | -178.3 | 0 | 0 | 112.2 | V679 D681 L686 V687 R688 | V679-E684 HydrophobicContact CG1-CB 3.49Å; V679-E684 VanDerWaalsContact CG1-CB 3.49Å; D681-E684 HydrophobicContact CB-CB 4.25Å; D681-E684 HydrophobicContact CB-CG 4.29Å; D681-E684 PolarHBondContact O-N 3.43Å; D681-E684 VanDerWaalsContact O-N 3.13Å; D681-E684 PolarHBondContact OD2-N 3Å; D681-E684 VanDerWaalsContact OD2-N 3.1Å; E684-L686 VanDerWaalsContact C-N 3.27Å; E684-L686 PolarHBondContact O-N 3.33Å; E684-V687 PolarHBondContact O-N 3.14Å; E684-V687 VanDerWaalsContact O-N 3.15Å; E684-R688 WeakPolarHBondContact O-CB 3.29Å; E684-R688 PolarHBondContact O-N 3.1Å; E684-R688 IonicContact OE2-CZ 2.75Å |
| 685 | M | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 175.5 | -67.5 | 179 | 175 | 0 | 0 | 111.6 | V664 L667 H668 V679 D681 P682 V687 H689 I690 | V664-M685 HydrophobicContact CG1-CB 4.15Å; V664-M685 HydrophobicContact CG1-SD 4.26Å; L667-M685 HydrophobicContact CD2-SD 4.2Å; L667-M685 HydrophobicContact CG-CE 4.41Å; L667-M685 HydrophobicContact CG-SD 4.31Å; H668-M685 HydrophobicContact CB-CE 4.21Å; H668-M685 HydrophobicContact CB-SD 4.05Å; V679-M685 HydrophobicContact CB-CG 4.46Å; V679-M685 HydrophobicContact CG1-CG 3.92Å; V679-M685 WeakPolarHBondContact O-CE 3.28Å; D681-M685 WeakPolarHBondContact O-CG 3.45Å; D681-M685 PolarHBondContact O-N 3.45Å; P682-M685 WeakPolarHBondContact O-CB 3.34Å; P682-M685 PolarHBondContact O-N 3.48Å; M685-V687 VanDerWaalsContact C-N 3.32Å; M685-V687 PolarHBondContact O-N 2.87Å; M685-H689 VanDerWaalsContact O-CA 3.31Å; M685-H689 WeakPolarHBondContact O-CA 3.42Å; M685-H689 WeakPolarHBondContact O-CB 3.47Å; M685-H689 PolarHBondContact O-N 2.97Å; M685-I690 PolarHBondContact O-N 3.17Å |
| 686 | L | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -56.9 | -43.7 | 175.3 | -74.2 | 178.4 | 0 | 0 | 0 | 112.8 | V637 K640 L641 L644 I661 V664 P682 E684 I690 L691 | V637-L686 HydrophobicContact CB-CD1 4.5Å; V637-L686 HydrophobicContact CG1-CD1 3.61Å; V637-L686 HydrophobicContact CG1-CD2 4.29Å; V637-L686 HydrophobicContact CG1-CG 4.17Å; K640-L686 HydrophobicContact CB-CD1 4.27Å; K640-L686 HydrophobicContact CD-CD1 4.25Å; K640-L686 HydrophobicContact CG-CD1 4.37Å; L641-L686 HydrophobicContact CB-CD1 4.39Å; L641-L686 HydrophobicContact CB-CD2 4.18Å; L641-L686 HydrophobicContact CD1-CD2 4.21Å; L644-L686 HydrophobicContact CD1-CB 4.28Å; I661-L686 HydrophobicContact CD1-CD2 3.79Å; V664-L686 HydrophobicContact CG2-CD2 4.02Å; P682-L686 PolarHBondContact O-N 3.13Å; P682-L686 VanDerWaalsContact O-N 3.12Å; E684-L686 VanDerWaalsContact C-N 3.27Å; E684-L686 PolarHBondContact O-N 3.33Å; L686-I690 HydrophobicContact CD2-CG1 4.39Å; L686-I690 VanDerWaalsContact O-CB 3.32Å; L686-I690 WeakPolarHBondContact O-CB 3.46Å; L686-I690 PolarHBondContact O-N 3.33Å; L686-L691 PolarHBondContact O-N 3.08Å |
| 687 | V | 88.8 | Confident | 89 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -80.6 | -58.5 | -177.4 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | L644 E684 M685 H689 D692 A828 L829 | L644-V687 HydrophobicContact CD1-CG2 3.74Å; L644-V687 HydrophobicContact CD2-CG2 4.27Å; E684-V687 PolarHBondContact O-N 3.14Å; E684-V687 VanDerWaalsContact O-N 3.15Å; M685-V687 VanDerWaalsContact C-N 3.32Å; M685-V687 PolarHBondContact O-N 2.87Å; V687-H689 VanDerWaalsContact C-N 3.34Å; V687-H689 PolarHBondContact O-N 2.66Å; V687-D692 PolarHBondContact O-N 3.19Å; V687-A828 HydrophobicContact CG1-CB 4.38Å; V687-A828 HydrophobicContact CG2-CB 4.09Å; V687-L829 HydrophobicContact CG1-CB 3.84Å; V687-L829 HydrophobicContact CG1-CD1 4.18Å |
| 688 | R | 89 | Confident | 89.3 | Confident | 117 Ų | 117 | 36.6 Ų | 36.6 | 44% | 0.442 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -73.7 | -22.6 | -171.6 | -63.3 | -175.3 | 176.8 | -161.9 | 1.2 | 112.9 | E684 R775 L829 | E684-R688 WeakPolarHBondContact O-CB 3.29Å; E684-R688 PolarHBondContact O-N 3.1Å; E684-R688 IonicContact OE2-CZ 2.75Å; R688-R775 PolarHBondContact O-NH1 3.15Å; R688-R775 PolarHBondContact O-NH2 2.87Å; R688-L829 HydrophobicContact CG-CD1 3.88Å |
| 689 | H | 91.5 | Very high | 89.7 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -112.2 | -52.3 | -179.7 | -60.7 | -30.9 | 0 | 0 | 0 | 111.9 | T677 V679 M685 V687 S693 L714 | T677-H689 PolarHBondContact OG1-NE2 3.16Å; V679-H689 WeakPolarHBondContact CB-NE2 3.49Å; M685-H689 VanDerWaalsContact O-CA 3.31Å; M685-H689 WeakPolarHBondContact O-CA 3.42Å; M685-H689 WeakPolarHBondContact O-CB 3.47Å; M685-H689 PolarHBondContact O-N 2.97Å; V687-H689 VanDerWaalsContact C-N 3.34Å; V687-H689 PolarHBondContact O-N 2.66Å; H689-S693 VanDerWaalsContact O-CB 3.28Å; H689-S693 WeakPolarHBondContact O-CB 3.43Å; H689-S693 PolarHBondContact O-N 2.72Å; H689-S693 PolarHBondContact O-OG 3.25Å; H689-L714 HydrophobicContact CB-CD1 3.61Å; H689-L714 HydrophobicContact CB-CD2 3.86Å; H689-L714 HydrophobicContact CB-CG 4.41Å; H689-L714 VanDerWaalsContact CG-CD1 3.47Å |
| 690 | I | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -76 | -60.2 | -173.7 | -54 | -54.6 | 0 | 0 | 0 | 111.7 | L641 L660 Y663 V664 M685 L686 D692 S693 I694 P718 | L641-I690 HydrophobicContact CD1-CG2 4.38Å; L660-I690 HydrophobicContact CB-CG2 4.39Å; L660-I690 HydrophobicContact CD1-CG2 4.01Å; L660-I690 HydrophobicContact CD2-CG2 3.85Å; L660-I690 HydrophobicContact CG-CG2 4.3Å; Y663-I690 HydrophobicContact CD1-CD1 3.57Å; Y663-I690 HydrophobicContact CE1-CD1 3.77Å; V664-I690 HydrophobicContact CG2-CD1 3.74Å; V664-I690 HydrophobicContact CG2-CG1 3.47Å; V664-I690 VanDerWaalsContact CG2-CG1 3.47Å; M685-I690 PolarHBondContact O-N 3.17Å; L686-I690 HydrophobicContact CD2-CG1 4.39Å; L686-I690 VanDerWaalsContact O-CB 3.32Å; L686-I690 WeakPolarHBondContact O-CB 3.46Å; L686-I690 PolarHBondContact O-N 3.33Å; I690-D692 PolarHBondContact O-N 2.72Å; I690-S693 PolarHBondContact O-N 2.88Å; I690-S693 VanDerWaalsContact O-N 3.13Å; I690-I694 HydrophobicContact CG2-CD1 3.54Å; I690-I694 HydrophobicContact CG2-CG1 4.45Å; I690-I694 WeakPolarHBondContact O-CG1 3.19Å; I690-I694 PolarHBondContact O-N 3.43Å; I690-P718 HydrophobicContact CD1-CG 4.02Å |
| 691 | L | 91.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -64.2 | -45.4 | -175.1 | -163.5 | 64 | 0 | 0 | 0 | 111.7 | L644 L645 A648 I650 L686 S693 I694 V695 V826 P827 | L644-L691 HydrophobicContact CB-CD2 3.98Å; L644-L691 HydrophobicContact CD2-CD2 4.13Å; L644-L691 HydrophobicContact CG-CD2 4.48Å; L645-L691 HydrophobicContact CD2-CD1 4.4Å; A648-L691 HydrophobicContact CB-CD1 3.93Å; I650-L691 HydrophobicContact CD1-CD1 4.34Å; L686-L691 PolarHBondContact O-N 3.08Å; L691-S693 PolarHBondContact O-N 3.49Å; L691-S693 VanDerWaalsContact O-N 3.12Å; L691-I694 PolarHBondContact O-N 3.01Å; L691-I694 VanDerWaalsContact O-N 3.13Å; L691-V695 HydrophobicContact CG-CG1 4.44Å; L691-V695 WeakPolarHBondContact O-CG1 3.4Å; L691-V695 PolarHBondContact O-N 2.56Å; L691-V695 VanDerWaalsContact O-N 3.13Å; L691-V826 HydrophobicContact CB-CG1 4.16Å; L691-V826 HydrophobicContact CD2-CG1 3.94Å; L691-V826 HydrophobicContact CG-CG1 4Å; L691-P827 HydrophobicContact CD2-CB 4.02Å; L691-P827 HydrophobicContact CD2-CG 4.11Å; L691-P827 WeakPolarHBondContact CD2-O 3.35Å |
| 692 | D | 90.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.8 | -28.3 | 175.7 | -160.7 | 21.8 | 0 | 0 | 0 | 112.9 | V687 I690 R775 V826 R833 | V687-D692 PolarHBondContact O-N 3.19Å; I690-D692 PolarHBondContact O-N 2.72Å; D692-R775 IonicContact OD2-CZ 3.59Å; D692-R775 IonicContact OD2-NE 3.44Å; D692-R775 IonicContact OD2-NH2 2.77Å; D692-R775 PolarHBondContact OD2-NH2 3.34Å; D692-V826 HydrophobicContact CB-CG1 4.47Å; D692-R833 WeakPolarHBondContact OD1-CD 3.37Å; D692-R833 VanDerWaalsContact OD1-CG 3.28Å; D692-R833 WeakPolarHBondContact OD1-CG 3.33Å; D692-R833 IonicContact OD1-NE 3.82Å; D692-R833 PolarHBondContact OD1-NE 3.01Å; D692-R833 IonicContact OD2-CZ 3.15Å; D692-R833 IonicContact OD2-NE 2.88Å; D692-R833 PolarHBondContact OD2-NE 3.48Å; D692-R833 IonicContact OD2-NH2 3.7Å |
| 693 | S | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -84.4 | -41.2 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | H689 I690 L691 P715 L719 R775 | H689-S693 VanDerWaalsContact O-CB 3.28Å; H689-S693 WeakPolarHBondContact O-CB 3.43Å; H689-S693 PolarHBondContact O-N 2.72Å; H689-S693 PolarHBondContact O-OG 3.25Å; I690-S693 PolarHBondContact O-N 2.88Å; I690-S693 VanDerWaalsContact O-N 3.13Å; L691-S693 PolarHBondContact O-N 3.49Å; L691-S693 VanDerWaalsContact O-N 3.12Å; S693-P715 VanDerWaalsContact CB-CB 3.48Å; S693-P715 WeakPolarHBondContact OG-CA 3.21Å; S693-L719 WeakPolarHBondContact O-CD2 3.36Å; S693-R775 PolarHBondContact OG-NH1 3.06Å |
| 694 | I | 93.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.6 | -33.4 | -172.6 | -66.3 | 169.9 | 0 | 0 | 0 | 112.2 | I650 L660 I690 L691 V696 A697 P718 V722 | I650-I694 HydrophobicContact CD1-CG2 3.74Å; I650-I694 HydrophobicContact CG2-CG2 4.12Å; L660-I694 HydrophobicContact CD1-CD1 3.58Å; L660-I694 HydrophobicContact CD2-CD1 4.03Å; L660-I694 HydrophobicContact CG-CD1 4.48Å; I690-I694 HydrophobicContact CG2-CD1 3.54Å; I690-I694 HydrophobicContact CG2-CG1 4.45Å; I690-I694 WeakPolarHBondContact O-CG1 3.19Å; I690-I694 PolarHBondContact O-N 3.43Å; L691-I694 PolarHBondContact O-N 3.01Å; L691-I694 VanDerWaalsContact O-N 3.13Å; I694-V696 PolarHBondContact O-N 3.42Å; I694-A697 WeakPolarHBondContact O-CB 3.33Å; I694-A697 PolarHBondContact O-N 3.47Å; I694-P718 HydrophobicContact CD1-CB 4.39Å; I694-P718 HydrophobicContact CG1-CB 3.81Å; I694-V722 HydrophobicContact CB-CG1 4.49Å; I694-V722 HydrophobicContact CD1-CG1 3.79Å; I694-V722 HydrophobicContact CG1-CG1 3.86Å; I694-V722 HydrophobicContact CG2-CB 4.37Å; I694-V722 HydrophobicContact CG2-CG1 3.79Å; I694-V722 HydrophobicContact CG2-CG2 4.18Å |
| 695 | V | 91.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.2 | -179 | -68 | 0 | 0 | 0 | 0 | 113.6 | I650 L691 P698 Y699 L824 V826 | I650-V695 HydrophobicContact CD1-CG1 4.19Å; L691-V695 HydrophobicContact CG-CG1 4.44Å; L691-V695 WeakPolarHBondContact O-CG1 3.4Å; L691-V695 PolarHBondContact O-N 2.56Å; L691-V695 VanDerWaalsContact O-N 3.13Å; V695-P698 WeakPolarHBondContact O-CD 3.3Å; V695-Y699 WeakPolarHBondContact O-CE2 3.35Å; V695-L824 HydrophobicContact CG2-CB 4.26Å; V695-L824 HydrophobicContact CG2-CD1 4.06Å; V695-L824 HydrophobicContact CG2-CD2 4.38Å; V695-L824 HydrophobicContact CG2-CG 4.48Å; V695-V826 HydrophobicContact CG1-CG2 4.37Å; V695-V826 HydrophobicContact CG2-CG2 3.84Å |
| 696 | V | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -25.6 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | I694 P698 Y699 L700 L800 L824 L835 | I694-V696 PolarHBondContact O-N 3.42Å; V696-P698 VanDerWaalsContact O-N 3.17Å; V696-Y699 PolarHBondContact O-N 2.97Å; V696-L700 HydrophobicContact CG1-CD1 4.49Å; V696-L700 HydrophobicContact CG1-CD2 3.86Å; V696-L700 HydrophobicContact CG1-CG 4.08Å; V696-L800 HydrophobicContact CG1-CD1 4.38Å; V696-L800 HydrophobicContact CG2-CD1 4.19Å; V696-L800 HydrophobicContact CG2-CD2 3.81Å; V696-L800 HydrophobicContact CG2-CG 3.87Å; V696-L824 HydrophobicContact CG2-CD1 3.76Å; V696-L835 HydrophobicContact CG1-CD1 3.77Å; V696-L835 HydrophobicContact CG1-CD2 3.87Å; V696-L835 HydrophobicContact CG1-CG 4.44Å; V696-L835 HydrophobicContact CG2-CD1 4.37Å |
| 697 | A | 92.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 12% | 0.116 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -51.4 | -41.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I694 Y699 L700 L719 V722 R723 | I694-A697 WeakPolarHBondContact O-CB 3.33Å; I694-A697 PolarHBondContact O-N 3.47Å; A697-Y699 PolarHBondContact O-N 3.24Å; A697-L700 PolarHBondContact O-N 2.96Å; A697-L719 HydrophobicContact CB-CD2 3.82Å; A697-V722 HydrophobicContact CB-CG2 3.86Å; A697-R723 HydrophobicContact CB-CG 4.43Å |
| 698 | P | 91.5 | Very high | 93.1 | Very high | 104 Ų | 104 | 33.5 Ų | 33.5 | 68% | 0.675 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -65 | -18.9 | 179.4 | -22.2 | 35.1 | 0 | 0 | 0 | 114.7 | V695 V696 | V695-P698 WeakPolarHBondContact O-CD 3.3Å; V696-P698 VanDerWaalsContact O-N 3.17Å |
| 699 | Y | 93.1 | Very high | 93.3 | Very high | 98 Ų | 98 | 29 Ų | 29 | 38% | 0.384 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -95.7 | -11.2 | -176.3 | -55.1 | -76.9 | 0 | 0 | 0 | 113 | V695 V696 A697 Y798 V822 L824 L835 | V695-Y699 WeakPolarHBondContact O-CE2 3.35Å; V696-Y699 PolarHBondContact O-N 2.97Å; A697-Y699 PolarHBondContact O-N 3.24Å; Y699-Y798 WeakPolarHBondContact O-CE1 3.18Å; Y699-V822 HydrophobicContact CD1-CG1 4.24Å; Y699-V822 HydrophobicContact CD1-CG2 4.01Å; Y699-V822 HydrophobicContact CE1-CB 4.4Å; Y699-V822 HydrophobicContact CE1-CG1 3.61Å; Y699-V822 HydrophobicContact CE1-CG2 4.08Å; Y699-V822 HydrophobicContact CE2-CG1 4.1Å; Y699-L824 HydrophobicContact CD2-CD2 4.08Å; Y699-L824 HydrophobicContact CE2-CD2 3.65Å; Y699-L835 VanDerWaalsContact CB-CD2 3.47Å; Y699-L835 HydrophobicContact CD2-CD2 4.08Å; Y699-L835 HydrophobicContact CG-CD2 3.92Å |
| 700 | L | 93.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | trans | -78 | 126.4 | 179.8 | -62.4 | -177.6 | 0 | 0 | 0 | 110.6 | V696 A697 F705 L719 R723 I773 Y798 | V696-L700 HydrophobicContact CG1-CD1 4.49Å; V696-L700 HydrophobicContact CG1-CD2 3.86Å; V696-L700 HydrophobicContact CG1-CG 4.08Å; A697-L700 PolarHBondContact O-N 2.96Å; L700-F705 HydrophobicContact CB-CE1 3.91Å; L700-F705 HydrophobicContact CB-CZ 3.84Å; L700-F705 HydrophobicContact CD2-CE1 4.39Å; L700-F705 HydrophobicContact CG-CE1 4.5Å; L700-L719 HydrophobicContact CD1-CD1 3.84Å; L700-L719 HydrophobicContact CD1-CD2 3.89Å; L700-L719 HydrophobicContact CD1-CG 4.42Å; L700-R723 VanDerWaalsContact CB-NH1 3.34Å; L700-R723 PolarHBondContact O-NH1 2.86Å; L700-I773 HydrophobicContact CD1-CD1 3.8Å; L700-I773 HydrophobicContact CD2-CD1 4.06Å; L700-I773 HydrophobicContact CD2-CG1 4.29Å; L700-Y798 HydrophobicContact CD2-CD1 3.55Å; L700-Y798 HydrophobicContact CD2-CD2 3.65Å; L700-Y798 HydrophobicContact CD2-CE1 3.84Å; L700-Y798 HydrophobicContact CD2-CE2 3.93Å; L700-Y798 HydrophobicContact CD2-CG 3.43Å; L700-Y798 VanDerWaalsContact CD2-CG 3.43Å | ||
| 701 | Q | 92.2 | Very high | 93.3 | Very high | 95 Ų | 95 | 28.6 Ų | 28.6 | 44% | 0.444 | 16% | 0.157 | S | C | . | . | trans | -110.1 | 135.6 | 178.7 | -60.7 | -177.2 | 20.9 | 0 | 0 | 109.9 | F705 Y798 | Q701-F705 WeakPolarHBondContact O-CZ 3.29Å; Q701-Y798 PolarHBondContact N-OH 3.44Å | ||
| 702 | G | 92.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 102 | -174 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F705 R723 | G702-F705 VanDerWaalsContact O-CE2 3.32Å; G702-F705 WeakPolarHBondContact O-CE2 3.46Å; G702-F705 WeakPolarHBondContact O-CZ 3.09Å; G702-R723 PolarHBondContact O-NH2 2.75Å |
| 703 | E | 94 | Very high | 93.5 | Very high | 132 Ų | 132 | 29 Ų | 29 | 62% | 0.617 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -125.6 | -20.2 | -172.9 | -65.5 | -178.6 | 176.8 | 0 | 0 | 112.5 | A726 H727 D770 | E703-A726 CarbonylContact O-C 3.17Å; E703-A726 VanDerWaalsContact O-CA 3.23Å; E703-A726 WeakPolarHBondContact O-CA 3.42Å; E703-A726 WeakPolarHBondContact O-CB 3.47Å; E703-H727 PolarHBondContact O-N 2.81Å; E703-D770 PolarHBondContact N-OD2 3.48Å |
| 704 | R | 95.5 | Very high | 93.5 | Very high | 64 Ų | 64 | 29.6 Ų | 29.6 | 24% | 0.242 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.6 | -179.8 | -168 | 179.6 | 170.4 | 75.7 | 1.8 | 111.4 | F769 D770 G771 | R704-F769 HydrophobicContact CG-CD1 3.78Å; R704-F769 HydrophobicContact CG-CE1 4.1Å; R704-D770 PolarHBondContact N-OD2 3.02Å; R704-D770 PolarHBondContact O-N 2.84Å; R704-G771 PolarHBondContact O-N 3.19Å |
| 705 | F | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.7 | -177.6 | -60.8 | -83.7 | 0 | 0 | 0 | 112.2 | L700 Q701 G702 A726 H727 F728 T729 G771 I773 Y798 | L700-F705 HydrophobicContact CB-CE1 3.91Å; L700-F705 HydrophobicContact CB-CZ 3.84Å; L700-F705 HydrophobicContact CD2-CE1 4.39Å; L700-F705 HydrophobicContact CG-CE1 4.5Å; Q701-F705 WeakPolarHBondContact O-CZ 3.29Å; G702-F705 VanDerWaalsContact O-CE2 3.32Å; G702-F705 WeakPolarHBondContact O-CE2 3.46Å; G702-F705 WeakPolarHBondContact O-CZ 3.09Å; F705-A726 HydrophobicContact CD2-CB 4.02Å; F705-A726 HydrophobicContact CE2-CB 3.88Å; F705-H727 PolarHBondContact N-O 3.28Å; F705-F728 HydrophobicContact CB-CD1 3.65Å; F705-F728 HydrophobicContact CB-CE1 3.74Å; F705-F728 HydrophobicContact CB-CG 4.39Å; F705-F728 HydrophobicContact CD2-CD1 4.41Å; F705-F728 AromaticContact CD2-CE1 3.83Å; F705-F728 HydrophobicContact CD2-CE1 3.83Å; F705-F728 HydrophobicContact CD2-CE2 4.46Å; F705-F728 AromaticContact CD2-CZ 3.86Å; F705-F728 HydrophobicContact CD2-CZ 3.86Å; F705-F728 HydrophobicContact CE2-CZ 4.48Å; F705-F728 HydrophobicContact CG-CD1 4.3Å; F705-F728 AromaticContact CG-CE1 3.89Å; F705-F728 HydrophobicContact CG-CE1 3.89Å; F705-F728 HydrophobicContact CG-CZ 4.38Å; F705-F728 CarbonylContact O-C 3.51Å; F705-F728 WeakPolarHBondContact O-CA 3.26Å; F705-T729 PolarHBondContact O-N 2.67Å; F705-G771 CarbonylContact C-O 3.6Å; F705-G771 VanDerWaalsContact CA-O 3.26Å; F705-G771 WeakPolarHBondContact CA-O 3.05Å; F705-I773 HydrophobicContact CB-CD1 3.94Å; F705-I773 HydrophobicContact CD1-CD1 3.79Å; F705-I773 HydrophobicContact CD1-CG1 4.17Å; F705-I773 HydrophobicContact CG-CD1 4.02Å; F705-Y798 HydrophobicContact CE1-CE2 4.17Å |
| 706 | I | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.5 | 166.8 | -173.8 | 166.4 | 0 | 0 | 0 | 109.7 | V708 T729 L731 F763 F769 G771 V772 I773 L790 | I706-V708 HydrophobicContact CD1-CG2 4.37Å; I706-V708 HydrophobicContact CG1-CG2 4.05Å; I706-V708 HydrophobicContact CG2-CG2 4.28Å; I706-T729 CarbonylContact C-O 3.54Å; I706-T729 WeakPolarHBondContact CA-O 3.35Å; I706-T729 HydrophobicContact CD1-CG2 4.1Å; I706-T729 HydrophobicContact CG1-CG2 4.13Å; I706-L731 HydrophobicContact CD1-CB 4.22Å; I706-L731 HydrophobicContact CD1-CD2 4.08Å; I706-L731 HydrophobicContact CG1-CB 4.25Å; I706-F763 HydrophobicContact CD1-CD1 3.98Å; I706-F763 HydrophobicContact CD1-CE1 4Å; I706-F769 HydrophobicContact CB-CD1 3.7Å; I706-F769 HydrophobicContact CB-CD2 4.22Å; I706-F769 HydrophobicContact CB-CE1 3.66Å; I706-F769 HydrophobicContact CB-CE2 4.16Å; I706-F769 HydrophobicContact CB-CG 4Å; I706-F769 HydrophobicContact CB-CZ 3.88Å; I706-F769 HydrophobicContact CD1-CE2 3.95Å; I706-F769 HydrophobicContact CD1-CZ 3.89Å; I706-F769 HydrophobicContact CG1-CE1 4.5Å; I706-F769 HydrophobicContact CG1-CZ 4.35Å; I706-F769 HydrophobicContact CG2-CB 4.18Å; I706-F769 HydrophobicContact CG2-CD1 3.93Å; I706-F769 HydrophobicContact CG2-CD2 3.85Å; I706-F769 HydrophobicContact CG2-CE1 4.3Å; I706-F769 HydrophobicContact CG2-CE2 4.2Å; I706-F769 HydrophobicContact CG2-CG 3.7Å; I706-F769 HydrophobicContact CG2-CZ 4.42Å; I706-G771 PolarHBondContact N-O 2.85Å; I706-V772 HydrophobicContact CG2-CB 4.19Å; I706-V772 HydrophobicContact CG2-CG1 4.18Å; I706-V772 HydrophobicContact CG2-CG2 3.83Å; I706-I773 PolarHBondContact O-N 2.96Å; I706-L790 HydrophobicContact CD1-CD1 4.12Å; I706-L790 HydrophobicContact CD1-CD2 4.44Å; I706-L790 HydrophobicContact CG2-CD1 4.13Å |
| 707 | D | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 104.8 | 172.9 | -176.2 | 11.7 | 0 | 0 | 0 | 109 | T710 P715 G716 T729 L730 L731 I773 | D707-T710 VanDerWaalsContact CG-CB 3.48Å; D707-T710 VanDerWaalsContact CG-OG1 3.3Å; D707-T710 VanDerWaalsContact OD2-CB 3.22Å; D707-T710 WeakPolarHBondContact OD2-CB 3.46Å; D707-T710 PolarHBondContact OD2-OG1 3.47Å; D707-P715 WeakPolarHBondContact OD2-CD 3.27Å; D707-G716 WeakPolarHBondContact OD2-CA 3.3Å; D707-G716 PolarHBondContact OD2-N 2.83Å; D707-T729 PolarHBondContact N-O 2.8Å; D707-L730 HydrophobicContact CB-CD2 3.99Å; D707-L731 PolarHBondContact O-N 3Å; D707-I773 WeakPolarHBondContact CA-O 3.49Å |
| 708 | V | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.1 | -172.9 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | I706 T710 L731 V760 V772 I773 F777 L790 | I706-V708 HydrophobicContact CD1-CG2 4.37Å; I706-V708 HydrophobicContact CG1-CG2 4.05Å; I706-V708 HydrophobicContact CG2-CG2 4.28Å; V708-T710 VanDerWaalsContact C-N 3.32Å; V708-L731 HydrophobicContact CG1-CD2 4.33Å; V708-L731 HydrophobicContact CG2-CD2 4.39Å; V708-V760 HydrophobicContact CG1-CB 3.89Å; V708-V760 HydrophobicContact CG1-CG1 4.38Å; V708-V760 HydrophobicContact CG1-CG2 3.77Å; V708-V760 HydrophobicContact CG2-CG2 4.13Å; V708-V772 HydrophobicContact CG2-CG1 3.77Å; V708-I773 PolarHBondContact N-O 3.02Å; V708-F777 HydrophobicContact CG1-CD1 4.04Å; V708-F777 HydrophobicContact CG1-CD2 4.23Å; V708-F777 HydrophobicContact CG1-CE1 3.52Å; V708-F777 HydrophobicContact CG1-CE2 3.76Å; V708-F777 HydrophobicContact CG1-CG 4.37Å; V708-F777 HydrophobicContact CG1-CZ 3.39Å; V708-L790 HydrophobicContact CG2-CD1 4.11Å |
| 709 | G | 91.7 | Very high | 94.5 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 25% | 0.247 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 35.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G711 L731 | G709-G711 PolarHBondContact O-N 3.05Å; G709-L731 WeakPolarHBondContact CA-O 3.31Å; G709-L731 PolarHBondContact N-O 3.39Å |
| 710 | T | 93.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | trans | -54.7 | -20.1 | -171 | -171.2 | 0 | 0 | 0 | 0 | 114.3 | D707 V708 G713 L714 L730 L731 D732 L741 | D707-T710 VanDerWaalsContact CG-CB 3.48Å; D707-T710 VanDerWaalsContact CG-OG1 3.3Å; D707-T710 VanDerWaalsContact OD2-CB 3.22Å; D707-T710 WeakPolarHBondContact OD2-CB 3.46Å; D707-T710 PolarHBondContact OD2-OG1 3.47Å; V708-T710 VanDerWaalsContact C-N 3.32Å; T710-G713 PolarHBondContact O-N 2.97Å; T710-G713 VanDerWaalsContact OG1-CA 3.23Å; T710-G713 WeakPolarHBondContact OG1-CA 3.45Å; T710-L714 PolarHBondContact O-N 3.23Å; T710-L730 HydrophobicContact CG2-CB 4.05Å; T710-L731 PolarHBondContact N-O 2.89Å; T710-L731 VanDerWaalsContact N-O 3.12Å; T710-D732 HydrophobicContact CG2-CB 4.01Å; T710-L741 HydrophobicContact CG2-CD1 3.62Å | ||
| 711 | G | 91.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -127.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | G709 G713 D732 R737 | G709-G711 PolarHBondContact O-N 3.05Å; G711-G713 PolarHBondContact O-N 2.82Å; G711-D732 VanDerWaalsContact CA-OD2 3.24Å; G711-D732 WeakPolarHBondContact CA-OD2 3.37Å; G711-D732 PolarHBondContact N-OD2 3.22Å; G711-R737 WeakPolarHBondContact O-CB 3.45Å |
| 712 | P | 92.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 14.9 Ų | 14.9 | 8% | 0.078 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 3.3 | 170.8 | 35.1 | -40.7 | 0 | 0 | 0 | 114.3 | Y663 L667 L676 T677 L714 F740 L741 | Y663-P712 PolarHBondContact OH-O 3.04Å; L667-P712 HydrophobicContact CD1-CB 3.57Å; L667-P712 HydrophobicContact CD1-CG 4.26Å; L676-P712 HydrophobicContact CB-CB 4.26Å; T677-P712 HydrophobicContact CG2-CB 4.27Å; T677-P712 HydrophobicContact CG2-CG 3.79Å; P712-L714 HydrophobicContact CG-CD1 3.71Å; P712-L714 HydrophobicContact CG-CG 3.93Å; P712-F740 HydrophobicContact CB-CD1 4.1Å; P712-F740 HydrophobicContact CB-CE1 3.84Å; P712-F740 WeakPolarHBondContact O-CE1 3.31Å; P712-L741 VanDerWaalsContact O-CD2 3.25Å; P712-L741 WeakPolarHBondContact O-CD2 3.27Å |
| 713 | G | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109.4 | 31.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T710 G711 P715 G716 I717 P718 L741 | T710-G713 PolarHBondContact O-N 2.97Å; T710-G713 VanDerWaalsContact OG1-CA 3.23Å; T710-G713 WeakPolarHBondContact OG1-CA 3.45Å; G711-G713 PolarHBondContact O-N 2.82Å; G713-P715 CarbonylContact O-C 3.5Å; G713-G716 PolarHBondContact O-N 2.98Å; G713-I717 WeakPolarHBondContact O-CB 3.33Å; G713-I717 PolarHBondContact O-N 3.37Å; G713-P718 VanDerWaalsContact O-CD 3.23Å; G713-P718 WeakPolarHBondContact O-CD 3.33Å; G713-L741 VanDerWaalsContact CA-CD2 3.46Å |
| 714 | L | 94.3 | Very high | 95 | Very high | 13 Ų | 13 | 12.6 Ų | 12.6 | 7% | 0.068 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 113.9 | -175.3 | -64.7 | 172.4 | 0 | 0 | 0 | 109.5 | Y663 H689 T710 P712 P718 | Y663-L714 HydrophobicContact CE1-CD2 3.92Å; H689-L714 HydrophobicContact CB-CD1 3.61Å; H689-L714 HydrophobicContact CB-CD2 3.86Å; H689-L714 HydrophobicContact CB-CG 4.41Å; H689-L714 VanDerWaalsContact CG-CD1 3.47Å; T710-L714 PolarHBondContact O-N 3.23Å; P712-L714 HydrophobicContact CG-CD1 3.71Å; P712-L714 HydrophobicContact CG-CG 3.93Å; L714-P718 HydrophobicContact CD2-CG 3.76Å |
| 715 | P | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.5 | -1.7 | 13.8 | 36.8 | -37.1 | 0 | 0 | 0 | 115.7 | S693 D707 G713 I717 P718 L719 I773 L800 | S693-P715 VanDerWaalsContact CB-CB 3.48Å; S693-P715 WeakPolarHBondContact OG-CA 3.21Å; D707-P715 WeakPolarHBondContact OD2-CD 3.27Å; G713-P715 CarbonylContact O-C 3.5Å; P715-I717 PolarHBondContact O-N 2.64Å; P715-P718 VanDerWaalsContact O-CD 3.25Å; P715-P718 WeakPolarHBondContact O-CD 3.4Å; P715-L719 HydrophobicContact CB-CD1 3.77Å; P715-L719 HydrophobicContact CB-CG 4.17Å; P715-L719 HydrophobicContact CG-CD1 3.83Å; P715-L719 WeakPolarHBondContact O-CB 3.21Å; P715-L719 VanDerWaalsContact O-CG 3.32Å; P715-L719 WeakPolarHBondContact O-CG 3.25Å; P715-L719 PolarHBondContact O-N 3.25Å; P715-I773 HydrophobicContact CG-CG2 3.51Å; P715-L800 HydrophobicContact CB-CD2 4.33Å; P715-L800 HydrophobicContact CG-CD1 4.43Å; P715-L800 HydrophobicContact CG-CD2 4.27Å |
| 716 | G | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | D707 G713 L719 S720 | D707-G716 WeakPolarHBondContact OD2-CA 3.3Å; D707-G716 PolarHBondContact OD2-N 2.83Å; G713-G716 PolarHBondContact O-N 2.98Å; G716-L719 PolarHBondContact O-N 2.79Å; G716-S720 WeakPolarHBondContact O-CB 3.01Å; G716-S720 PolarHBondContact O-N 2.9Å; G716-S720 PolarHBondContact O-OG 3.15Å |
| 717 | I | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.2 | -54.2 | 178.2 | -65.7 | -69.6 | 0 | 0 | 0 | 111.3 | Y663 G713 P715 L719 S720 I721 L730 L741 V744 L750 I753 | Y663-I717 HydrophobicContact CD1-CG2 3.89Å; Y663-I717 HydrophobicContact CD2-CG2 3.74Å; Y663-I717 HydrophobicContact CE1-CB 4.28Å; Y663-I717 HydrophobicContact CE1-CG2 4.01Å; Y663-I717 HydrophobicContact CE2-CB 4.2Å; Y663-I717 HydrophobicContact CE2-CG1 4.31Å; Y663-I717 HydrophobicContact CE2-CG2 3.87Å; Y663-I717 HydrophobicContact CG-CG2 3.76Å; G713-I717 WeakPolarHBondContact O-CB 3.33Å; G713-I717 PolarHBondContact O-N 3.37Å; P715-I717 PolarHBondContact O-N 2.64Å; I717-L719 PolarHBondContact O-N 3.34Å; I717-S720 PolarHBondContact O-N 3.01Å; I717-S720 PolarHBondContact O-OG 2.79Å; I717-I721 HydrophobicContact CG2-CD1 4Å; I717-I721 PolarHBondContact O-N 2.83Å; I717-I721 VanDerWaalsContact O-N 3.17Å; I717-L730 HydrophobicContact CD1-CD1 3.48Å; I717-L730 VanDerWaalsContact CD1-CD1 3.48Å; I717-L730 HydrophobicContact CG1-CD1 3.9Å; I717-L741 HydrophobicContact CD1-CD2 4.27Å; I717-L741 HydrophobicContact CG1-CD2 3.96Å; I717-V744 HydrophobicContact CD1-CG1 3.81Å; I717-V744 HydrophobicContact CG1-CG1 4.28Å; I717-V744 HydrophobicContact CG2-CG1 4.06Å; I717-L750 HydrophobicContact CD1-CD1 4.13Å; I717-L750 HydrophobicContact CG2-CD1 4.34Å; I717-I753 HydrophobicContact CD1-CD1 3.38Å |
| 718 | P | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -53.2 | -41.7 | 173.8 | -27.8 | 32.9 | 0 | 0 | 0 | 113.5 | L660 Y663 I690 I694 G713 L714 P715 I721 V722 | L660-P718 HydrophobicContact CD2-CB 4.33Å; Y663-P718 HydrophobicContact CE1-CG 4.19Å; I690-P718 HydrophobicContact CD1-CG 4.02Å; I694-P718 HydrophobicContact CD1-CB 4.39Å; I694-P718 HydrophobicContact CG1-CB 3.81Å; G713-P718 VanDerWaalsContact O-CD 3.23Å; G713-P718 WeakPolarHBondContact O-CD 3.33Å; L714-P718 HydrophobicContact CD2-CG 3.76Å; P715-P718 VanDerWaalsContact O-CD 3.25Å; P715-P718 WeakPolarHBondContact O-CD 3.4Å; P718-I721 PolarHBondContact O-N 3.34Å; P718-V722 WeakPolarHBondContact O-CG2 3.3Å; P718-V722 PolarHBondContact O-N 2.77Å |
| 719 | L | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 178.5 | -71.2 | 173.6 | 0 | 0 | 0 | 112.5 | S693 A697 L700 P715 G716 I717 I721 V722 R723 F728 I773 | S693-L719 WeakPolarHBondContact O-CD2 3.36Å; A697-L719 HydrophobicContact CB-CD2 3.82Å; L700-L719 HydrophobicContact CD1-CD1 3.84Å; L700-L719 HydrophobicContact CD1-CD2 3.89Å; L700-L719 HydrophobicContact CD1-CG 4.42Å; P715-L719 HydrophobicContact CB-CD1 3.77Å; P715-L719 HydrophobicContact CB-CG 4.17Å; P715-L719 HydrophobicContact CG-CD1 3.83Å; P715-L719 WeakPolarHBondContact O-CB 3.21Å; P715-L719 VanDerWaalsContact O-CG 3.32Å; P715-L719 WeakPolarHBondContact O-CG 3.25Å; P715-L719 PolarHBondContact O-N 3.25Å; G716-L719 PolarHBondContact O-N 2.79Å; I717-L719 PolarHBondContact O-N 3.34Å; L719-I721 PolarHBondContact O-N 3.33Å; L719-V722 WeakPolarHBondContact O-CG2 3.4Å; L719-V722 PolarHBondContact O-N 3.46Å; L719-R723 WeakPolarHBondContact O-CB 3.23Å; L719-R723 PolarHBondContact O-N 2.96Å; L719-F728 HydrophobicContact CB-CD1 4.33Å; L719-F728 HydrophobicContact CB-CE1 3.61Å; L719-F728 HydrophobicContact CB-CE2 4.46Å; L719-F728 HydrophobicContact CB-CZ 3.69Å; L719-F728 HydrophobicContact CD1-CE1 4.14Å; L719-I773 HydrophobicContact CD1-CD1 3.77Å; L719-I773 HydrophobicContact CD1-CG2 4.46Å |
| 720 | S | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.7 | -31.1 | 177.1 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | G716 I717 R723 N752 I753 | G716-S720 WeakPolarHBondContact O-CB 3.01Å; G716-S720 PolarHBondContact O-N 2.9Å; G716-S720 PolarHBondContact O-OG 3.15Å; I717-S720 PolarHBondContact O-N 3.01Å; I717-S720 PolarHBondContact O-OG 2.79Å; S720-R723 CarbonylContact O-C 3.59Å; S720-N752 PolarHBondContact O-ND2 3.36Å; S720-I753 WeakPolarHBondContact OG-CG2 3.21Å |
| 721 | I | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -74.3 | -40.5 | 177.5 | -68.9 | 163.3 | 0 | 0 | 0 | 110.7 | Q656 Q659 L660 I717 P718 L719 L748 L750 | Q656-I721 HydrophobicContact CB-CG2 3.86Å; Q656-I721 HydrophobicContact CG-CG2 4.07Å; Q656-I721 WeakPolarHBondContact CG-O 3.35Å; Q656-I721 PolarHBondContact NE2-O 2.89Å; Q659-I721 HydrophobicContact CB-CD1 3.97Å; Q659-I721 HydrophobicContact CB-CG1 4.19Å; Q659-I721 HydrophobicContact CB-CG2 4.04Å; L660-I721 HydrophobicContact CD2-CB 4.22Å; L660-I721 HydrophobicContact CD2-CD1 3.73Å; L660-I721 HydrophobicContact CD2-CG2 4.13Å; L660-I721 HydrophobicContact CG-CD1 4.35Å; L660-I721 HydrophobicContact CG-CG2 4.02Å; I717-I721 HydrophobicContact CG2-CD1 4Å; I717-I721 PolarHBondContact O-N 2.83Å; I717-I721 VanDerWaalsContact O-N 3.17Å; P718-I721 PolarHBondContact O-N 3.34Å; L719-I721 PolarHBondContact O-N 3.33Å; I721-L748 HydrophobicContact CD1-CD1 4.39Å; I721-L750 HydrophobicContact CG1-CD1 4.2Å; I721-L750 HydrophobicContact CG1-CD2 3.88Å |
| 722 | V | 94.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 16 Ų | 16 | 13% | 0.133 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -83.4 | -21.8 | -177.8 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | L652 I694 A697 P718 L719 P724 | L652-V722 HydrophobicContact CD1-CG1 3.82Å; L652-V722 HydrophobicContact CD2-CB 3.95Å; L652-V722 HydrophobicContact CD2-CG1 3.55Å; L652-V722 HydrophobicContact CG-CG1 4.36Å; I694-V722 HydrophobicContact CB-CG1 4.49Å; I694-V722 HydrophobicContact CD1-CG1 3.79Å; I694-V722 HydrophobicContact CG1-CG1 3.86Å; I694-V722 HydrophobicContact CG2-CB 4.37Å; I694-V722 HydrophobicContact CG2-CG1 3.79Å; I694-V722 HydrophobicContact CG2-CG2 4.18Å; A697-V722 HydrophobicContact CB-CG2 3.86Å; P718-V722 WeakPolarHBondContact O-CG2 3.3Å; P718-V722 PolarHBondContact O-N 2.77Å; L719-V722 WeakPolarHBondContact O-CG2 3.4Å; L719-V722 PolarHBondContact O-N 3.46Å; V722-P724 VanDerWaalsContact C-CD 3.43Å; V722-P724 WeakPolarHBondContact O-CD 3.35Å |
| 723 | R | 94.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 18.6 Ų | 18.6 | 13% | 0.132 | 10% | 0.102 | C | C | . | . | trans | -120.5 | 68.6 | 174.7 | -66.6 | -164.4 | 66.4 | -171.4 | -10.1 | 111.2 | A697 L700 G702 L719 S720 E725 A726 F728 N752 | A697-R723 HydrophobicContact CB-CG 4.43Å; L700-R723 VanDerWaalsContact CB-NH1 3.34Å; L700-R723 PolarHBondContact O-NH1 2.86Å; G702-R723 PolarHBondContact O-NH2 2.75Å; L719-R723 WeakPolarHBondContact O-CB 3.23Å; L719-R723 PolarHBondContact O-N 2.96Å; S720-R723 CarbonylContact O-C 3.59Å; R723-E725 VanDerWaalsContact CA-OE2 3.29Å; R723-E725 WeakPolarHBondContact CA-OE2 3.45Å; R723-E725 WeakPolarHBondContact CB-OE1 3.36Å; R723-E725 IonicContact CZ-OE1 3.27Å; R723-E725 IonicContact NE-OE1 3.7Å; R723-E725 PolarHBondContact NE-OE1 2.96Å; R723-E725 IonicContact NH2-OE1 3.65Å; R723-E725 PolarHBondContact NH2-OE1 3Å; R723-E725 PolarHBondContact O-N 3Å; R723-E725 VanDerWaalsContact O-N 3.15Å; R723-A726 HydrophobicContact CB-CB 4.18Å; R723-A726 PolarHBondContact O-N 2.84Å; R723-F728 HydrophobicContact CB-CE2 4.31Å; R723-F728 HydrophobicContact CB-CZ 4.42Å; R723-N752 PolarHBondContact O-ND2 3.02Å | ||
| 724 | P | 93.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 21.8 Ų | 21.8 | 52% | 0.519 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.6 | -178.9 | 28 | -36.2 | 0 | 0 | 0 | 113.4 | V722 A726 | V722-P724 VanDerWaalsContact C-CD 3.43Å; V722-P724 WeakPolarHBondContact O-CD 3.35Å; P724-A726 VanDerWaalsContact C-N 3.34Å |
| 725 | E | 93.7 | Very high | 94.7 | Very high | 110 Ų | 110 | 21.3 Ų | 21.3 | 51% | 0.514 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -18.6 | 175.4 | 75.3 | -68.9 | 165.7 | 0 | 0 | 114 | R723 | R723-E725 VanDerWaalsContact CA-OE2 3.29Å; R723-E725 WeakPolarHBondContact CA-OE2 3.45Å; R723-E725 WeakPolarHBondContact CB-OE1 3.36Å; R723-E725 IonicContact CZ-OE1 3.27Å; R723-E725 IonicContact NE-OE1 3.7Å; R723-E725 PolarHBondContact NE-OE1 2.96Å; R723-E725 IonicContact NH2-OE1 3.65Å; R723-E725 PolarHBondContact NH2-OE1 3Å; R723-E725 PolarHBondContact O-N 3Å; R723-E725 VanDerWaalsContact O-N 3.15Å |
| 726 | A | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -102.6 | 145.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E703 F705 R723 P724 F728 N752 | E703-A726 CarbonylContact O-C 3.17Å; E703-A726 VanDerWaalsContact O-CA 3.23Å; E703-A726 WeakPolarHBondContact O-CA 3.42Å; E703-A726 WeakPolarHBondContact O-CB 3.47Å; F705-A726 HydrophobicContact CD2-CB 4.02Å; F705-A726 HydrophobicContact CE2-CB 3.88Å; R723-A726 HydrophobicContact CB-CB 4.18Å; R723-A726 PolarHBondContact O-N 2.84Å; P724-A726 VanDerWaalsContact C-N 3.34Å; A726-F728 HydrophobicContact CB-CE2 3.74Å; A726-F728 HydrophobicContact CB-CZ 4.18Å; A726-N752 WeakPolarHBondContact O-CB 3.4Å; A726-N752 PolarHBondContact O-ND2 2.99Å |
| 727 | H | 97 | Very high | 94 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 25% | 0.25 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.6 | 175.7 | -176.6 | -84 | 0 | 0 | 0 | 111.4 | E703 F705 N752 E754 | E703-H727 PolarHBondContact O-N 2.81Å; F705-H727 PolarHBondContact N-O 3.28Å; H727-N752 CarbonylContact C-O 3.54Å; H727-N752 WeakPolarHBondContact CA-O 3.43Å; H727-E754 IonicContact CE1-OE2 2.82Å |
| 728 | F | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 109.6 | 179.2 | -66.2 | -95.6 | 0 | 0 | 0 | 111.8 | F705 L719 R723 A726 L730 N752 I753 E754 I773 | F705-F728 HydrophobicContact CB-CD1 3.65Å; F705-F728 HydrophobicContact CB-CE1 3.74Å; F705-F728 HydrophobicContact CB-CG 4.39Å; F705-F728 HydrophobicContact CD2-CD1 4.41Å; F705-F728 AromaticContact CD2-CE1 3.83Å; F705-F728 HydrophobicContact CD2-CE1 3.83Å; F705-F728 HydrophobicContact CD2-CE2 4.46Å; F705-F728 AromaticContact CD2-CZ 3.86Å; F705-F728 HydrophobicContact CD2-CZ 3.86Å; F705-F728 HydrophobicContact CE2-CZ 4.48Å; F705-F728 HydrophobicContact CG-CD1 4.3Å; F705-F728 AromaticContact CG-CE1 3.89Å; F705-F728 HydrophobicContact CG-CE1 3.89Å; F705-F728 HydrophobicContact CG-CZ 4.38Å; F705-F728 CarbonylContact O-C 3.51Å; F705-F728 WeakPolarHBondContact O-CA 3.26Å; L719-F728 HydrophobicContact CB-CD1 4.33Å; L719-F728 HydrophobicContact CB-CE1 3.61Å; L719-F728 HydrophobicContact CB-CE2 4.46Å; L719-F728 HydrophobicContact CB-CZ 3.69Å; L719-F728 HydrophobicContact CD1-CE1 4.14Å; R723-F728 HydrophobicContact CB-CE2 4.31Å; R723-F728 HydrophobicContact CB-CZ 4.42Å; A726-F728 HydrophobicContact CB-CE2 3.74Å; A726-F728 HydrophobicContact CB-CZ 4.18Å; F728-L730 HydrophobicContact CB-CD2 4.06Å; F728-N752 PolarHBondContact N-O 2.68Å; F728-I753 HydrophobicContact CB-CG2 4.29Å; F728-I753 CarbonylContact O-C 3.48Å; F728-I753 VanDerWaalsContact O-CA 3.25Å; F728-I753 WeakPolarHBondContact O-CA 3.29Å; F728-E754 PolarHBondContact O-N 2.86Å; F728-I773 HydrophobicContact CD1-CD1 4.41Å; F728-I773 HydrophobicContact CE1-CD1 3.94Å |
| 729 | T | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.3 | 165.5 | -60.2 | 0 | 0 | 0 | 0 | 108.8 | F705 I706 D707 E754 V756 F763 F769 | F705-T729 PolarHBondContact O-N 2.67Å; I706-T729 CarbonylContact C-O 3.54Å; I706-T729 WeakPolarHBondContact CA-O 3.35Å; I706-T729 HydrophobicContact CD1-CG2 4.1Å; I706-T729 HydrophobicContact CG1-CG2 4.13Å; D707-T729 PolarHBondContact N-O 2.8Å; T729-E754 CarbonylContact C-O 3.56Å; T729-E754 WeakPolarHBondContact CA-O 3.5Å; T729-E754 PolarHBondContact OG1-OE2 2.78Å; T729-V756 HydrophobicContact CG2-CB 4.44Å; T729-V756 HydrophobicContact CG2-CG2 3.76Å; T729-F763 HydrophobicContact CG2-CE2 4.26Å; T729-F763 HydrophobicContact CG2-CZ 3.9Å; T729-F769 HydrophobicContact CG2-CZ 4.49Å |
| 730 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 100 | -175.5 | -54.6 | -176.4 | 0 | 0 | 0 | 109.3 | D707 T710 I717 F728 L741 I753 E754 V756 | D707-L730 HydrophobicContact CB-CD2 3.99Å; T710-L730 HydrophobicContact CG2-CB 4.05Å; I717-L730 HydrophobicContact CD1-CD1 3.48Å; I717-L730 VanDerWaalsContact CD1-CD1 3.48Å; I717-L730 HydrophobicContact CG1-CD1 3.9Å; F728-L730 HydrophobicContact CB-CD2 4.06Å; L730-L741 HydrophobicContact CB-CD1 4.01Å; L730-L741 HydrophobicContact CD1-CD1 4.48Å; L730-L741 HydrophobicContact CD1-CD2 3.97Å; L730-I753 HydrophobicContact CD1-CB 4.18Å; L730-I753 HydrophobicContact CD1-CD1 4.07Å; L730-I753 HydrophobicContact CD1-CG2 4.48Å; L730-I753 HydrophobicContact CG-CB 4.47Å; L730-E754 PolarHBondContact N-O 3.24Å; L730-V756 PolarHBondContact O-N 3.29Å |
| 731 | L | 95.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.8 | -168.7 | -176.3 | 74.4 | 0 | 0 | 0 | 111.6 | I706 D707 V708 G709 T710 V756 V760 F763 | I706-L731 HydrophobicContact CD1-CB 4.22Å; I706-L731 HydrophobicContact CD1-CD2 4.08Å; I706-L731 HydrophobicContact CG1-CB 4.25Å; D707-L731 PolarHBondContact O-N 3Å; V708-L731 HydrophobicContact CG1-CD2 4.33Å; V708-L731 HydrophobicContact CG2-CD2 4.39Å; G709-L731 WeakPolarHBondContact CA-O 3.31Å; G709-L731 PolarHBondContact N-O 3.39Å; T710-L731 PolarHBondContact N-O 2.89Å; T710-L731 VanDerWaalsContact N-O 3.12Å; L731-V756 HydrophobicContact CD1-CB 4.01Å; L731-V756 HydrophobicContact CD1-CG1 3.84Å; L731-V760 HydrophobicContact CD2-CB 3.82Å; L731-V760 HydrophobicContact CD2-CG2 3.88Å; L731-F763 HydrophobicContact CD1-CD2 3.91Å; L731-F763 HydrophobicContact CD1-CG 4.35Å; L731-F763 HydrophobicContact CD2-CB 4.43Å |
| 732 | D | 93.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.9 | 171.2 | -162.5 | -68.2 | 0 | 0 | 0 | 110.4 | T710 G711 L734 R737 V738 V756 Q757 S758 | T710-D732 HydrophobicContact CG2-CB 4.01Å; G711-D732 VanDerWaalsContact CA-OD2 3.24Å; G711-D732 WeakPolarHBondContact CA-OD2 3.37Å; G711-D732 PolarHBondContact N-OD2 3.22Å; D732-L734 VanDerWaalsContact C-N 3.3Å; D732-L734 PolarHBondContact O-N 3.08Å; D732-L734 VanDerWaalsContact OD1-CB 3.32Å; D732-L734 WeakPolarHBondContact OD1-CB 3.45Å; D732-L734 PolarHBondContact OD1-N 3.49Å; D732-R737 WeakPolarHBondContact OD1-CD 3.4Å; D732-R737 IonicContact OD1-NH1 3.5Å; D732-R737 WeakPolarHBondContact OD2-CD 3.46Å; D732-R737 IonicContact OD2-CZ 3.66Å; D732-R737 IonicContact OD2-NE 3.12Å; D732-R737 IonicContact OD2-NH1 2.72Å; D732-R737 PolarHBondContact OD2-NH1 3.47Å; D732-V738 HydrophobicContact CB-CG2 4.18Å; D732-V756 PolarHBondContact N-O 3.14Å; D732-Q757 WeakPolarHBondContact O-CA 3.49Å; D732-S758 PolarHBondContact O-N 2.99Å |
| 733 | S | 91 | Very high | 93.3 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -75 | -20.2 | -179.9 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||
| 734 | L | 87.8 | Confident | 93.4 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | trans | -90.9 | 112.5 | -175.7 | -59.2 | 178 | 0 | 0 | 0 | 112 | D732 K736 R737 V738 | D732-L734 VanDerWaalsContact C-N 3.3Å; D732-L734 PolarHBondContact O-N 3.08Å; D732-L734 VanDerWaalsContact OD1-CB 3.32Å; D732-L734 WeakPolarHBondContact OD1-CB 3.45Å; D732-L734 PolarHBondContact OD1-N 3.49Å; L734-K736 PolarHBondContact O-N 3.49Å; L734-R737 HydrophobicContact CB-CG 4.27Å; L734-R737 WeakPolarHBondContact O-CB 3.49Å; L734-R737 PolarHBondContact O-N 3.15Å; L734-V738 PolarHBondContact O-N 2.75Å | ||
| 735 | G | 86 | Confident | 93.6 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -28.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | R737 V738 R739 | G735-R737 VanDerWaalsContact C-N 3.33Å; G735-R737 PolarHBondContact O-N 2.88Å; G735-V738 PolarHBondContact O-N 3.34Å; G735-R739 WeakPolarHBondContact O-CB 3.27Å; G735-R739 WeakPolarHBondContact O-CG 3.34Å; G735-R739 PolarHBondContact O-N 3.44Å |
| 736 | K | 86.2 | Confident | 93.5 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 32% | 0.317 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 175.4 | 67.3 | 176.2 | 178.4 | 171.9 | 0 | 112.8 | L734 F740 | L734-K736 PolarHBondContact O-N 3.49Å; K736-F740 PolarHBondContact O-N 3.45Å |
| 737 | R | 90.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 47 Ų | 47 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74.2 | -43.5 | 179.1 | -68.2 | 177.5 | 174.8 | 174.5 | 5.7 | 110.6 | L676 G711 D732 L734 G735 R739 F740 L741 | L676-R737 HydrophobicContact CD2-CG 4.3Å; G711-R737 WeakPolarHBondContact O-CB 3.45Å; D732-R737 WeakPolarHBondContact OD1-CD 3.4Å; D732-R737 IonicContact OD1-NH1 3.5Å; D732-R737 WeakPolarHBondContact OD2-CD 3.46Å; D732-R737 IonicContact OD2-CZ 3.66Å; D732-R737 IonicContact OD2-NE 3.12Å; D732-R737 IonicContact OD2-NH1 2.72Å; D732-R737 PolarHBondContact OD2-NH1 3.47Å; L734-R737 HydrophobicContact CB-CG 4.27Å; L734-R737 WeakPolarHBondContact O-CB 3.49Å; L734-R737 PolarHBondContact O-N 3.15Å; G735-R737 VanDerWaalsContact C-N 3.33Å; G735-R737 PolarHBondContact O-N 2.88Å; R737-R739 VanDerWaalsContact C-N 3.32Å; R737-R739 PolarHBondContact O-N 2.93Å; R737-F740 WeakPolarHBondContact O-CB 3.3Å; R737-F740 PolarHBondContact O-N 2.87Å; R737-F740 VanDerWaalsContact O-N 3.09Å; R737-L741 WeakPolarHBondContact O-CG 3.49Å; R737-L741 PolarHBondContact O-N 3.48Å |
| 738 | V | 93 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | D732 L734 G735 L741 R742 P755 Q757 | D732-V738 HydrophobicContact CB-CG2 4.18Å; L734-V738 PolarHBondContact O-N 2.75Å; G735-V738 PolarHBondContact O-N 3.34Å; V738-L741 WeakPolarHBondContact O-CB 3.42Å; V738-L741 PolarHBondContact O-N 3.3Å; V738-R742 WeakPolarHBondContact O-CG 3.45Å; V738-R742 PolarHBondContact O-N 3.05Å; V738-P755 HydrophobicContact CG1-CB 4.11Å; V738-Q757 HydrophobicContact CB-CB 4.17Å; V738-Q757 HydrophobicContact CG1-CB 4.1Å; V738-Q757 HydrophobicContact CG2-CB 3.84Å; V738-Q757 HydrophobicContact CG2-CG 4.32Å |
| 739 | R | 91.6 | Very high | 92.8 | Very high | 127 Ų | 127 | 53.4 Ų | 53.4 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 171.3 | -80.2 | -170.5 | -68.9 | -99.7 | 4.1 | 112.4 | G735 R737 R742 Q743 | G735-R739 WeakPolarHBondContact O-CB 3.27Å; G735-R739 WeakPolarHBondContact O-CG 3.34Å; G735-R739 PolarHBondContact O-N 3.44Å; R737-R739 VanDerWaalsContact C-N 3.32Å; R737-R739 PolarHBondContact O-N 2.93Å; R739-R742 PolarHBondContact O-N 3.22Å; R739-Q743 PolarHBondContact O-N 2.61Å; R739-Q743 VanDerWaalsContact O-N 3.09Å |
| 740 | F | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 174 | 170.7 | -111.7 | 0 | 0 | 0 | 111.2 | Y663 M666 L667 W670 L676 P712 K736 R737 R742 Q743 V744 | Y663-F740 HydrophobicContact CD2-CZ 4.47Å; Y663-F740 AromaticContact CE2-CE1 3.92Å; Y663-F740 HydrophobicContact CE2-CE1 3.92Å; Y663-F740 AromaticContact CE2-CZ 3.96Å; Y663-F740 HydrophobicContact CE2-CZ 3.96Å; M666-F740 HydrophobicContact CB-CE2 4.19Å; L667-F740 HydrophobicContact CB-CZ 4.09Å; L667-F740 HydrophobicContact CD1-CE1 3.83Å; L667-F740 HydrophobicContact CD1-CZ 3.81Å; W670-F740 HydrophobicContact CB-CD2 3.77Å; W670-F740 HydrophobicContact CB-CE2 3.83Å; W670-F740 HydrophobicContact CD2-CB 4.46Å; W670-F740 AromaticContact CD2-CD2 3.5Å; W670-F740 HydrophobicContact CD2-CD2 3.5Å; W670-F740 HydrophobicContact CD2-CE2 4.23Å; W670-F740 HydrophobicContact CD2-CG 4.42Å; W670-F740 HydrophobicContact CE3-CB 3.8Å; W670-F740 AromaticContact CE3-CD2 3.71Å; W670-F740 HydrophobicContact CE3-CD2 3.71Å; W670-F740 HydrophobicContact CE3-CG 4.2Å; W670-F740 AromaticContact CG-CD2 3.52Å; W670-F740 HydrophobicContact CG-CD2 3.52Å; W670-F740 AromaticContact CG-CE2 3.77Å; W670-F740 HydrophobicContact CG-CE2 3.77Å; W670-F740 HydrophobicContact CZ3-CB 3.97Å; W670-F740 HydrophobicContact CZ3-CD2 4.45Å; L676-F740 HydrophobicContact CD1-CB 4.05Å; L676-F740 HydrophobicContact CD1-CD1 3.69Å; L676-F740 HydrophobicContact CD1-CD2 3.74Å; L676-F740 HydrophobicContact CD1-CE1 4Å; L676-F740 HydrophobicContact CD1-CE2 4.05Å; L676-F740 HydrophobicContact CD1-CG 3.52Å; L676-F740 HydrophobicContact CD1-CZ 4.18Å; L676-F740 HydrophobicContact CD2-CB 4.45Å; P712-F740 HydrophobicContact CB-CD1 4.1Å; P712-F740 HydrophobicContact CB-CE1 3.84Å; P712-F740 WeakPolarHBondContact O-CE1 3.31Å; K736-F740 PolarHBondContact O-N 3.45Å; R737-F740 WeakPolarHBondContact O-CB 3.3Å; R737-F740 PolarHBondContact O-N 2.87Å; R737-F740 VanDerWaalsContact O-N 3.09Å; F740-R742 PolarHBondContact O-N 3.23Å; F740-Q743 WeakPolarHBondContact O-CB 3.49Å; F740-Q743 PolarHBondContact O-N 2.94Å; F740-Q743 VanDerWaalsContact O-N 3.09Å; F740-V744 HydrophobicContact CD1-CG2 4.34Å; F740-V744 HydrophobicContact CD2-CG2 4.2Å; F740-V744 HydrophobicContact CE1-CG2 3.89Å; F740-V744 HydrophobicContact CE2-CG2 3.75Å; F740-V744 HydrophobicContact CG-CG2 4.5Å; F740-V744 HydrophobicContact CZ-CG2 3.57Å; F740-V744 WeakPolarHBondContact O-CG2 3.42Å; F740-V744 PolarHBondContact O-N 2.9Å |
| 741 | L | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 178.1 | -68.7 | 173.6 | 0 | 0 | 0 | 113 | T710 P712 G713 I717 L730 R737 V738 Q743 V744 Q745 P755 | T710-L741 HydrophobicContact CG2-CD1 3.62Å; P712-L741 VanDerWaalsContact O-CD2 3.25Å; P712-L741 WeakPolarHBondContact O-CD2 3.27Å; G713-L741 VanDerWaalsContact CA-CD2 3.46Å; I717-L741 HydrophobicContact CD1-CD2 4.27Å; I717-L741 HydrophobicContact CG1-CD2 3.96Å; L730-L741 HydrophobicContact CB-CD1 4.01Å; L730-L741 HydrophobicContact CD1-CD1 4.48Å; L730-L741 HydrophobicContact CD1-CD2 3.97Å; R737-L741 WeakPolarHBondContact O-CG 3.49Å; R737-L741 PolarHBondContact O-N 3.48Å; V738-L741 WeakPolarHBondContact O-CB 3.42Å; V738-L741 PolarHBondContact O-N 3.3Å; L741-Q743 VanDerWaalsContact C-N 3.31Å; L741-Q743 PolarHBondContact O-N 3.26Å; L741-V744 WeakPolarHBondContact O-CB 3.48Å; L741-V744 PolarHBondContact O-N 3.26Å; L741-Q745 WeakPolarHBondContact O-CB 3.41Å; L741-Q745 PolarHBondContact O-N 2.97Å; L741-P755 HydrophobicContact CB-CB 3.72Å; L741-P755 HydrophobicContact CB-CG 3.9Å; L741-P755 HydrophobicContact CD1-CB 4.45Å |
| 742 | R | 95.6 | Very high | 92.6 | Very high | 127 Ų | 127 | 63.7 Ų | 63.7 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 174.6 | -71.2 | 177.9 | -176.9 | 159.5 | 2.9 | 112.2 | V738 R739 F740 Q745 H746 P755 | V738-R742 WeakPolarHBondContact O-CG 3.45Å; V738-R742 PolarHBondContact O-N 3.05Å; R739-R742 PolarHBondContact O-N 3.22Å; F740-R742 PolarHBondContact O-N 3.23Å; R742-Q745 WeakPolarHBondContact O-CB 3.29Å; R742-Q745 PolarHBondContact O-N 3.04Å; R742-H746 PolarHBondContact O-N 3.31Å; R742-H746 VanDerWaalsContact O-N 3.07Å; R742-P755 HydrophobicContact CG-CB 3.94Å; R742-P755 HydrophobicContact CG-CG 4.16Å |
| 743 | Q | 93.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 172.8 | -173.6 | 66.7 | 34.4 | 0 | 0 | 111 | M666 W670 R739 F740 L741 H746 E747 | M666-Q743 HydrophobicContact CE-CB 4.34Å; M666-Q743 HydrophobicContact CE-CG 3.7Å; W670-Q743 HydrophobicContact CH2-CB 4.33Å; W670-Q743 HydrophobicContact CZ2-CB 3.86Å; W670-Q743 HydrophobicContact CZ2-CG 3.81Å; R739-Q743 PolarHBondContact O-N 2.61Å; R739-Q743 VanDerWaalsContact O-N 3.09Å; F740-Q743 WeakPolarHBondContact O-CB 3.49Å; F740-Q743 PolarHBondContact O-N 2.94Å; F740-Q743 VanDerWaalsContact O-N 3.09Å; L741-Q743 VanDerWaalsContact C-N 3.31Å; L741-Q743 PolarHBondContact O-N 3.26Å; Q743-H746 PolarHBondContact O-N 3.07Å; Q743-E747 PolarHBondContact NE2-OE2 3.05Å; Q743-E747 WeakPolarHBondContact O-CB 3.37Å; Q743-E747 PolarHBondContact O-N 3.06Å |
| 744 | V | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 111 | Y663 M666 I717 F740 L741 H746 E747 L748 | Y663-V744 HydrophobicContact CD2-CG1 3.84Å; Y663-V744 HydrophobicContact CD2-CG2 4Å; Y663-V744 HydrophobicContact CE2-CG1 4.32Å; Y663-V744 HydrophobicContact CE2-CG2 4.15Å; M666-V744 HydrophobicContact CE-CB 4.31Å; M666-V744 HydrophobicContact CE-CG2 3.81Å; M666-V744 HydrophobicContact SD-CG2 4.24Å; I717-V744 HydrophobicContact CD1-CG1 3.81Å; I717-V744 HydrophobicContact CG1-CG1 4.28Å; I717-V744 HydrophobicContact CG2-CG1 4.06Å; F740-V744 HydrophobicContact CD1-CG2 4.34Å; F740-V744 HydrophobicContact CD2-CG2 4.2Å; F740-V744 HydrophobicContact CE1-CG2 3.89Å; F740-V744 HydrophobicContact CE2-CG2 3.75Å; F740-V744 HydrophobicContact CG-CG2 4.5Å; F740-V744 HydrophobicContact CZ-CG2 3.57Å; F740-V744 WeakPolarHBondContact O-CG2 3.42Å; F740-V744 PolarHBondContact O-N 2.9Å; L741-V744 WeakPolarHBondContact O-CB 3.48Å; L741-V744 PolarHBondContact O-N 3.26Å; V744-H746 VanDerWaalsContact C-N 3.32Å; V744-H746 PolarHBondContact O-N 2.81Å; V744-E747 PolarHBondContact O-N 3.46Å; V744-L748 HydrophobicContact CG1-CD1 3.6Å; V744-L748 HydrophobicContact CG1-CG 4.14Å; V744-L748 VanDerWaalsContact O-CB 3.32Å; V744-L748 WeakPolarHBondContact O-CB 3.2Å; V744-L748 WeakPolarHBondContact O-CG 3.46Å; V744-L748 PolarHBondContact O-N 3.38Å |
| 745 | Q | 96.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -53 | -49.6 | 175.2 | -172.2 | -177.4 | 22.7 | 0 | 0 | 111.6 | L741 R742 K749 L750 I753 P755 | L741-Q745 WeakPolarHBondContact O-CB 3.41Å; L741-Q745 PolarHBondContact O-N 2.97Å; R742-Q745 WeakPolarHBondContact O-CB 3.29Å; R742-Q745 PolarHBondContact O-N 3.04Å; Q745-K749 VanDerWaalsContact O-CA 3.32Å; Q745-K749 WeakPolarHBondContact O-CA 3.16Å; Q745-K749 PolarHBondContact O-N 2.79Å; Q745-L750 WeakPolarHBondContact CG-O 3.41Å; Q745-L750 PolarHBondContact O-N 3.04Å; Q745-L750 VanDerWaalsContact O-N 3.13Å; Q745-I753 HydrophobicContact CB-CD1 3.76Å; Q745-I753 HydrophobicContact CB-CG1 4.15Å; Q745-I753 HydrophobicContact CG-CD1 3.95Å; Q745-I753 HydrophobicContact CG-CG1 3.75Å; Q745-I753 PolarHBondContact NE2-O 3.22Å; Q745-P755 HydrophobicContact CB-CG 4.49Å |
| 746 | H | 92.4 | Very high | 93.9 | Very high | 143 Ų | 143 | 62.9 Ų | 62.9 | 66% | 0.662 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.1 | -48.2 | -179 | -175.3 | 71.5 | 0 | 0 | 0 | 112.6 | R742 Q743 V744 K749 | R742-H746 PolarHBondContact O-N 3.31Å; R742-H746 VanDerWaalsContact O-N 3.07Å; Q743-H746 PolarHBondContact O-N 3.07Å; V744-H746 VanDerWaalsContact C-N 3.32Å; V744-H746 PolarHBondContact O-N 2.81Å; H746-K749 PolarHBondContact O-N 3.48Å |
| 747 | E | 90.5 | Very high | 94.3 | Very high | 115 Ų | 115 | 62.7 Ų | 62.7 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | -174.8 | -165.1 | 74.7 | -160 | 0 | 0 | 112.1 | M666 Q743 V744 | M666-E747 HydrophobicContact CE-CB 3.61Å; M666-E747 HydrophobicContact CE-CG 4.01Å; M666-E747 HydrophobicContact SD-CB 3.69Å; M666-E747 HydrophobicContact SD-CG 3.71Å; Q743-E747 PolarHBondContact NE2-OE2 3.05Å; Q743-E747 WeakPolarHBondContact O-CB 3.37Å; Q743-E747 PolarHBondContact O-N 3.06Å; V744-E747 PolarHBondContact O-N 3.46Å |
| 748 | L | 93.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -91.2 | -5.1 | -177.9 | -56.1 | -172.6 | 0 | 0 | 0 | 113.4 | Q659 A662 M666 I721 V744 L750 | Q659-L748 PolarHBondContact NE2-O 3.06Å; Q659-L748 VanDerWaalsContact NE2-O 3.08Å; A662-L748 HydrophobicContact CB-CD2 3.42Å; A662-L748 VanDerWaalsContact CB-CD2 3.42Å; M666-L748 HydrophobicContact SD-CD2 4.27Å; M666-L748 HydrophobicContact SD-CG 4.33Å; I721-L748 HydrophobicContact CD1-CD1 4.39Å; V744-L748 HydrophobicContact CG1-CD1 3.6Å; V744-L748 HydrophobicContact CG1-CG 4.14Å; V744-L748 VanDerWaalsContact O-CB 3.32Å; V744-L748 WeakPolarHBondContact O-CB 3.2Å; V744-L748 WeakPolarHBondContact O-CG 3.46Å; V744-L748 PolarHBondContact O-N 3.38Å; L748-L750 VanDerWaalsContact C-N 3.31Å; L748-L750 HydrophobicContact CB-CD1 4.09Å; L748-L750 HydrophobicContact CB-CG 3.87Å; L748-L750 HydrophobicContact CD1-CD1 4.21Å; L748-L750 PolarHBondContact O-N 2.9Å |
| 749 | K | 92.5 | Very high | 94.3 | Very high | 175 Ų | 175 | 67.2 Ų | 67.2 | 76% | 0.761 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 46.2 | -177.4 | -55.7 | -179.5 | -179.3 | -178.2 | 0 | 112.4 | Q745 H746 E751 | Q745-K749 VanDerWaalsContact O-CA 3.32Å; Q745-K749 WeakPolarHBondContact O-CA 3.16Å; Q745-K749 PolarHBondContact O-N 2.79Å; H746-K749 PolarHBondContact O-N 3.48Å; K749-E751 PolarHBondContact O-N 3.33Å |
| 750 | L | 93.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | trans | -83.7 | 99.3 | 177.6 | -64.1 | 173.2 | 0 | 0 | 0 | 109 | I717 I721 Q745 L748 N752 I753 | I717-L750 HydrophobicContact CD1-CD1 4.13Å; I717-L750 HydrophobicContact CG2-CD1 4.34Å; I721-L750 HydrophobicContact CG1-CD1 4.2Å; I721-L750 HydrophobicContact CG1-CD2 3.88Å; Q745-L750 WeakPolarHBondContact CG-O 3.41Å; Q745-L750 PolarHBondContact O-N 3.04Å; Q745-L750 VanDerWaalsContact O-N 3.13Å; L748-L750 VanDerWaalsContact C-N 3.31Å; L748-L750 HydrophobicContact CB-CD1 4.09Å; L748-L750 HydrophobicContact CB-CG 3.87Å; L748-L750 HydrophobicContact CD1-CD1 4.21Å; L748-L750 PolarHBondContact O-N 2.9Å; L750-N752 VanDerWaalsContact C-N 3.32Å; L750-I753 HydrophobicContact CB-CD1 3.77Å; L750-I753 HydrophobicContact CB-CG1 3.79Å; L750-I753 HydrophobicContact CB-CG2 4.31Å; L750-I753 HydrophobicContact CD1-CD1 3.91Å; L750-I753 HydrophobicContact CG-CD1 4.5Å | ||
| 751 | E | 93.5 | Very high | 94 | Very high | 186 Ų | 186 | 66.5 Ų | 66.5 | 87% | 0.869 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17.1 | 178.3 | -64.6 | -177.3 | 177.4 | 0 | 0 | 112.5 | K749 I753 | K749-E751 PolarHBondContact O-N 3.33Å; E751-I753 VanDerWaalsContact C-N 3.35Å |
| 752 | N | 96.7 | Very high | 93.7 | Very high | 25 Ų | 25 | 73.3 Ų | 73.3 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 18.2 | -177.8 | 70.2 | -41.8 | 0 | 0 | 0 | 113.7 | S720 R723 A726 H727 F728 L750 | S720-N752 PolarHBondContact O-ND2 3.36Å; R723-N752 PolarHBondContact O-ND2 3.02Å; A726-N752 WeakPolarHBondContact O-CB 3.4Å; A726-N752 PolarHBondContact O-ND2 2.99Å; H727-N752 CarbonylContact C-O 3.54Å; H727-N752 WeakPolarHBondContact CA-O 3.43Å; F728-N752 PolarHBondContact N-O 2.68Å; L750-N752 VanDerWaalsContact C-N 3.32Å |
| 753 | I | 97.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151 | 175.2 | 69.3 | 173.7 | 0 | 0 | 0 | 112.1 | I717 S720 F728 L730 Q745 L750 E751 | I717-I753 HydrophobicContact CD1-CD1 3.38Å; S720-I753 WeakPolarHBondContact OG-CG2 3.21Å; F728-I753 HydrophobicContact CB-CG2 4.29Å; F728-I753 CarbonylContact O-C 3.48Å; F728-I753 VanDerWaalsContact O-CA 3.25Å; F728-I753 WeakPolarHBondContact O-CA 3.29Å; L730-I753 HydrophobicContact CD1-CB 4.18Å; L730-I753 HydrophobicContact CD1-CD1 4.07Å; L730-I753 HydrophobicContact CD1-CG2 4.48Å; L730-I753 HydrophobicContact CG-CB 4.47Å; Q745-I753 HydrophobicContact CB-CD1 3.76Å; Q745-I753 HydrophobicContact CB-CG1 4.15Å; Q745-I753 HydrophobicContact CG-CD1 3.95Å; Q745-I753 HydrophobicContact CG-CG1 3.75Å; Q745-I753 PolarHBondContact NE2-O 3.22Å; L750-I753 HydrophobicContact CB-CD1 3.77Å; L750-I753 HydrophobicContact CB-CG1 3.79Å; L750-I753 HydrophobicContact CB-CG2 4.31Å; L750-I753 HydrophobicContact CD1-CD1 3.91Å; L750-I753 HydrophobicContact CG-CD1 4.5Å; E751-I753 VanDerWaalsContact C-N 3.35Å |
| 754 | E | 96.7 | Very high | 93.2 | Very high | 80 Ų | 80 | 69 Ų | 69 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 95.9 | 178.8 | -174.8 | -172.2 | -160.7 | 0 | 0 | 110.5 | H727 F728 T729 L730 V756 | H727-E754 IonicContact CE1-OE2 2.82Å; F728-E754 PolarHBondContact O-N 2.86Å; T729-E754 CarbonylContact C-O 3.56Å; T729-E754 WeakPolarHBondContact CA-O 3.5Å; T729-E754 PolarHBondContact OG1-OE2 2.78Å; L730-E754 PolarHBondContact N-O 3.24Å; E754-V756 HydrophobicContact CG-CG2 3.94Å; E754-V756 PolarHBondContact O-N 3.07Å |
| 755 | P | 96.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 8% | 0.078 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 116.1 | 175.8 | -20 | 33.6 | 0 | 0 | 0 | 112.9 | V738 L741 R742 Q745 | V738-P755 HydrophobicContact CG1-CB 4.11Å; L741-P755 HydrophobicContact CB-CB 3.72Å; L741-P755 HydrophobicContact CB-CG 3.9Å; L741-P755 HydrophobicContact CD1-CB 4.45Å; R742-P755 HydrophobicContact CG-CB 3.94Å; R742-P755 HydrophobicContact CG-CG 4.16Å; Q745-P755 HydrophobicContact CB-CG 4.49Å |
| 756 | V | 95.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 76.3 Ų | 76.3 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.6 | -177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | T729 L730 L731 D732 E754 F763 | T729-V756 HydrophobicContact CG2-CB 4.44Å; T729-V756 HydrophobicContact CG2-CG2 3.76Å; L730-V756 PolarHBondContact O-N 3.29Å; L731-V756 HydrophobicContact CD1-CB 4.01Å; L731-V756 HydrophobicContact CD1-CG1 3.84Å; D732-V756 PolarHBondContact N-O 3.14Å; E754-V756 HydrophobicContact CG-CG2 3.94Å; E754-V756 PolarHBondContact O-N 3.07Å; V756-F763 HydrophobicContact CB-CE2 4.26Å; V756-F763 HydrophobicContact CG1-CD2 3.92Å; V756-F763 HydrophobicContact CG1-CE2 3.76Å; V756-F763 HydrophobicContact CG2-CE2 4.04Å |
| 757 | Q | 95.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 73.1 Ų | 73.1 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 98.8 | 169.6 | -173.8 | -174.4 | -19.4 | 0 | 0 | 109.4 | D732 V738 | D732-Q757 WeakPolarHBondContact O-CA 3.49Å; V738-Q757 HydrophobicContact CB-CB 4.17Å; V738-Q757 HydrophobicContact CG1-CB 4.1Å; V738-Q757 HydrophobicContact CG2-CB 3.84Å; V738-Q757 HydrophobicContact CG2-CG 4.32Å |
| 758 | S | 92.8 | Very high | 91.2 | Very high | 26 Ų | 26 | 71 Ų | 71 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -158.5 | 158 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 110 | D732 | D732-S758 PolarHBondContact O-N 2.99Š|
| 759 | R | 90.1 | Very high | 91.3 | Very high | 144 Ų | 144 | 70.3 Ų | 70.3 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | trans | -72.4 | 153.3 | 158.9 | -71.8 | -169.6 | 173.9 | -164.8 | -3.2 | 109.1 | E761 E762 F763 | R759-E761 VanDerWaalsContact C-N 3.32Å; R759-E761 WeakPolarHBondContact CB-OE2 3.3Å; R759-E762 HydrophobicContact CB-CG 4.38Å; R759-E762 PolarHBondContact O-N 2.83Å; R759-F763 PolarHBondContact O-N 3.03Å | ||
| 760 | V | 91.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -70.4 | -35.3 | -174.3 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | V708 L731 E762 F763 F777 W786 H789 L790 | V708-V760 HydrophobicContact CG1-CB 3.89Å; V708-V760 HydrophobicContact CG1-CG1 4.38Å; V708-V760 HydrophobicContact CG1-CG2 3.77Å; V708-V760 HydrophobicContact CG2-CG2 4.13Å; L731-V760 HydrophobicContact CD2-CB 3.82Å; L731-V760 HydrophobicContact CD2-CG2 3.88Å; V760-E762 PolarHBondContact O-N 3.41Å; V760-F763 PolarHBondContact O-N 2.8Å; V760-F763 VanDerWaalsContact O-N 3.15Å; V760-F777 HydrophobicContact CG1-CZ 4.1Å; V760-W786 HydrophobicContact CG1-CB 3.83Å; V760-H789 PolarHBondContact O-CE1 2.86Å; V760-H789 VanDerWaalsContact O-CE1 3.28Å; V760-H789 PolarHBondContact O-NE2 2.9Å; V760-H789 VanDerWaalsContact O-NE2 3.13Å; V760-L790 HydrophobicContact CG2-CD1 3.59Å |
| 761 | E | 88.1 | Confident | 91.4 | Very high | 107 Ų | 107 | 64.7 Ų | 64.7 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -66.1 | -19.8 | 178.8 | -52.3 | 92.5 | 145.5 | 0 | 0 | 112.9 | R759 | R759-E761 VanDerWaalsContact C-N 3.32Å; R759-E761 WeakPolarHBondContact CB-OE2 3.3Å |
| 762 | E | 89.2 | Confident | 91.5 | Very high | 142 Ų | 142 | 55.8 Ų | 55.8 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -101.8 | -6.9 | -179.9 | -64.4 | 173.3 | -171.3 | 0 | 0 | 112.4 | R759 V760 | R759-E762 HydrophobicContact CB-CG 4.38Å; R759-E762 PolarHBondContact O-N 2.83Å; V760-E762 PolarHBondContact O-N 3.41Å |
| 763 | F | 91 | Very high | 91.4 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -81 | 132.3 | -176.7 | -170.9 | -93.2 | 0 | 0 | 0 | 110.7 | I706 T729 L731 V756 R759 V760 F769 H789 L790 | I706-F763 HydrophobicContact CD1-CD1 3.98Å; I706-F763 HydrophobicContact CD1-CE1 4Å; T729-F763 HydrophobicContact CG2-CE2 4.26Å; T729-F763 HydrophobicContact CG2-CZ 3.9Å; L731-F763 HydrophobicContact CD1-CD2 3.91Å; L731-F763 HydrophobicContact CD1-CG 4.35Å; L731-F763 HydrophobicContact CD2-CB 4.43Å; V756-F763 HydrophobicContact CB-CE2 4.26Å; V756-F763 HydrophobicContact CG1-CD2 3.92Å; V756-F763 HydrophobicContact CG1-CE2 3.76Å; V756-F763 HydrophobicContact CG2-CE2 4.04Å; R759-F763 PolarHBondContact O-N 3.03Å; V760-F763 PolarHBondContact O-N 2.8Å; V760-F763 VanDerWaalsContact O-N 3.15Å; F763-F769 HydrophobicContact CD1-CE2 4.31Å; F763-F769 AromaticContact CE1-CE2 3.67Å; F763-F769 HydrophobicContact CE1-CE2 3.67Å; F763-F769 AromaticContact CE1-CZ 3.67Å; F763-F769 HydrophobicContact CE1-CZ 3.67Å; F763-F769 HydrophobicContact CZ-CZ 4.25Å; F763-H789 PolarHBondContact O-NE2 3.07Å; F763-L790 HydrophobicContact CD1-CD2 3.76Å |
| 764 | P | 87.3 | Confident | 91.1 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | trans | -65.1 | 140.3 | -179 | 26.1 | -34.3 | 0 | 0 | 0 | 112.1 | ||||
| 765 | S | 74.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | trans | -81.7 | -10.4 | 179.1 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | P767 P768 H789 | S765-P767 CarbonylContact O-C 3.49Å; S765-P768 VanDerWaalsContact O-CA 3.24Å; S765-P768 WeakPolarHBondContact O-CA 3.46Å; S765-P768 VanDerWaalsContact O-N 3.13Å; S765-H789 WeakPolarHBondContact CB-O 3.46Å | ||
| 766 | E | 82.4 | Confident | 89.3 | Confident | 167 Ų | 167 | 57.3 Ų | 57.3 | 78% | 0.78 | 31% | 0.308 | S | S | * | . | trans | -106.4 | 130 | -175 | -70.1 | -170.5 | 178.6 | 0 | 0 | 112.4 | ||||
| 767 | P | 86.2 | Confident | 87.9 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -73.9 | 149.1 | -8.3 | 30.6 | -33.3 | 0 | 0 | 0 | 112 | S765 | S765-P767 CarbonylContact O-C 3.49Š|
| 768 | P | 91 | Very high | 87 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 153.2 | -175.8 | 24.9 | -34.2 | 0 | 0 | 0 | 112.6 | S765 | S765-P768 VanDerWaalsContact O-CA 3.24Å; S765-P768 WeakPolarHBondContact O-CA 3.46Å; S765-P768 VanDerWaalsContact O-N 3.13Å |
| 769 | F | 94.4 | Very high | 86.8 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 146.4 | 177.6 | -65 | -86.8 | 0 | 0 | 0 | 111.8 | R704 I706 T729 F763 L790 P791 G792 | R704-F769 HydrophobicContact CG-CD1 3.78Å; R704-F769 HydrophobicContact CG-CE1 4.1Å; I706-F769 HydrophobicContact CB-CD1 3.7Å; I706-F769 HydrophobicContact CB-CD2 4.22Å; I706-F769 HydrophobicContact CB-CE1 3.66Å; I706-F769 HydrophobicContact CB-CE2 4.16Å; I706-F769 HydrophobicContact CB-CG 4Å; I706-F769 HydrophobicContact CB-CZ 3.88Å; I706-F769 HydrophobicContact CD1-CE2 3.95Å; I706-F769 HydrophobicContact CD1-CZ 3.89Å; I706-F769 HydrophobicContact CG1-CE1 4.5Å; I706-F769 HydrophobicContact CG1-CZ 4.35Å; I706-F769 HydrophobicContact CG2-CB 4.18Å; I706-F769 HydrophobicContact CG2-CD1 3.93Å; I706-F769 HydrophobicContact CG2-CD2 3.85Å; I706-F769 HydrophobicContact CG2-CE1 4.3Å; I706-F769 HydrophobicContact CG2-CE2 4.2Å; I706-F769 HydrophobicContact CG2-CG 3.7Å; I706-F769 HydrophobicContact CG2-CZ 4.42Å; T729-F769 HydrophobicContact CG2-CZ 4.49Å; F763-F769 HydrophobicContact CD1-CE2 4.31Å; F763-F769 AromaticContact CE1-CE2 3.67Å; F763-F769 HydrophobicContact CE1-CE2 3.67Å; F763-F769 AromaticContact CE1-CZ 3.67Å; F763-F769 HydrophobicContact CE1-CZ 3.67Å; F763-F769 HydrophobicContact CZ-CZ 4.25Å; F769-L790 HydrophobicContact CD2-CB 4.1Å; F769-L790 HydrophobicContact CD2-CD2 4.33Å; F769-L790 HydrophobicContact CE2-CD2 4.14Å; F769-L790 PolarHBondContact N-O 2.92Å; F769-P791 VanDerWaalsContact O-CA 3.31Å; F769-P791 WeakPolarHBondContact O-CA 3.36Å; F769-G792 PolarHBondContact O-N 2.87Å |
| 770 | D | 94.6 | Very high | 86.8 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -29.2 | 169.8 | -58.4 | -51.5 | 0 | 0 | 0 | 111.3 | E703 R704 G795 R796 | E703-D770 PolarHBondContact N-OD2 3.48Å; R704-D770 PolarHBondContact N-OD2 3.02Å; R704-D770 PolarHBondContact O-N 2.84Å; D770-G795 CarbonylContact O-C 3.42Å; D770-G795 WeakPolarHBondContact O-CA 3.39Å; D770-R796 PolarHBondContact O-N 2.83Å |
| 771 | G | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 130.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R704 F705 I706 R796 | R704-G771 PolarHBondContact O-N 3.19Å; F705-G771 CarbonylContact C-O 3.6Å; F705-G771 VanDerWaalsContact CA-O 3.26Å; F705-G771 WeakPolarHBondContact CA-O 3.05Å; I706-G771 PolarHBondContact N-O 2.85Å; G771-R796 CarbonylContact C-O 3.55Å; G771-R796 VanDerWaalsContact CA-O 3.27Å; G771-R796 WeakPolarHBondContact CA-O 3.42Å |
| 772 | V | 95.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.9 | 169 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | I706 V708 M783 C787 L790 P791 R796 F797 Y798 | I706-V772 HydrophobicContact CG2-CB 4.19Å; I706-V772 HydrophobicContact CG2-CG1 4.18Å; I706-V772 HydrophobicContact CG2-CG2 3.83Å; V708-V772 HydrophobicContact CG2-CG1 3.77Å; V772-M783 HydrophobicContact CG1-CE 4Å; V772-M783 WeakPolarHBondContact O-CE 3.38Å; V772-C787 HydrophobicContact CG1-CB 4.04Å; V772-L790 HydrophobicContact CG2-CB 3.86Å; V772-L790 HydrophobicContact CG2-CD1 4.39Å; V772-P791 HydrophobicContact CG2-CB 4.35Å; V772-P791 HydrophobicContact CG2-CG 4.39Å; V772-R796 PolarHBondContact N-O 3.07Å; V772-F797 HydrophobicContact CB-CD1 3.63Å; V772-F797 HydrophobicContact CB-CE1 3.96Å; V772-F797 HydrophobicContact CB-CG 4.47Å; V772-F797 HydrophobicContact CG1-CD1 3.89Å; V772-F797 HydrophobicContact CG1-CE1 4.16Å; V772-F797 HydrophobicContact CG2-CD1 4.12Å; V772-F797 HydrophobicContact CG2-CE1 3.96Å; V772-F797 CarbonylContact O-C 3.54Å; V772-F797 WeakPolarHBondContact O-CA 3.38Å; V772-Y798 PolarHBondContact O-N 3.29Å |
| 773 | I | 95.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.3 | -177.3 | -50.6 | 172.8 | 0 | 0 | 0 | 108.3 | L700 F705 I706 D707 V708 P715 L719 F728 Y798 L800 | L700-I773 HydrophobicContact CD1-CD1 3.8Å; L700-I773 HydrophobicContact CD2-CD1 4.06Å; L700-I773 HydrophobicContact CD2-CG1 4.29Å; F705-I773 HydrophobicContact CB-CD1 3.94Å; F705-I773 HydrophobicContact CD1-CD1 3.79Å; F705-I773 HydrophobicContact CD1-CG1 4.17Å; F705-I773 HydrophobicContact CG-CD1 4.02Å; I706-I773 PolarHBondContact O-N 2.96Å; D707-I773 WeakPolarHBondContact CA-O 3.49Å; V708-I773 PolarHBondContact N-O 3.02Å; P715-I773 HydrophobicContact CG-CG2 3.51Å; L719-I773 HydrophobicContact CD1-CD1 3.77Å; L719-I773 HydrophobicContact CD1-CG2 4.46Å; F728-I773 HydrophobicContact CD1-CD1 4.41Å; F728-I773 HydrophobicContact CE1-CD1 3.94Å; I773-Y798 WeakPolarHBondContact CA-O 3.31Å; I773-Y798 HydrophobicContact CG1-CD2 4.26Å; I773-L800 HydrophobicContact CG2-CD1 4.02Å |
| 774 | S | 91 | Very high | 86.9 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 149.1 | 168 | 120.9 | 0 | 0 | 0 | 0 | 111.5 | F777 Y798 L800 | S774-F777 WeakPolarHBondContact OG-CB 3.09Å; S774-Y798 PolarHBondContact N-O 3.11Å; S774-Y798 VanDerWaalsContact N-O 3.08Å; S774-L800 PolarHBondContact O-N 2.91Å |
| 775 | R | 87.5 | Confident | 87 | Confident | 51 Ų | 51 | 41.5 Ų | 41.5 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 113.5 | 174 | -179.4 | -179.9 | -177.2 | -178.3 | 0.4 | 109.2 | R688 D692 S693 F777 L800 | R688-R775 PolarHBondContact O-NH1 3.15Å; R688-R775 PolarHBondContact O-NH2 2.87Å; D692-R775 IonicContact OD2-CZ 3.59Å; D692-R775 IonicContact OD2-NE 3.44Å; D692-R775 IonicContact OD2-NH2 2.77Å; D692-R775 PolarHBondContact OD2-NH2 3.34Å; S693-R775 PolarHBondContact OG-NH1 3.06Å; R775-F777 PolarHBondContact O-N 3.18Å; R775-L800 HydrophobicContact CB-CB 4.28Å; R775-L800 HydrophobicContact CB-CD2 4.36Å; R775-L800 HydrophobicContact CG-CB 4.28Å; R775-L800 HydrophobicContact CG-CD2 4.37Å |
| 776 | A | 68 | Low | 87.7 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 80% | 0.802 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 55.3 | 32.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 777 | F | 65.4 | Low | 88.2 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 25% | 0.254 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -76.1 | -52.6 | 177.7 | 179.1 | -123.8 | 0 | 0 | 0 | 112.6 | V708 V760 S774 R775 W786 | V708-F777 HydrophobicContact CG1-CD1 4.04Å; V708-F777 HydrophobicContact CG1-CD2 4.23Å; V708-F777 HydrophobicContact CG1-CE1 3.52Å; V708-F777 HydrophobicContact CG1-CE2 3.76Å; V708-F777 HydrophobicContact CG1-CG 4.37Å; V708-F777 HydrophobicContact CG1-CZ 3.39Å; V760-F777 HydrophobicContact CG1-CZ 4.1Å; S774-F777 WeakPolarHBondContact OG-CB 3.09Å; R775-F777 PolarHBondContact O-N 3.18Å; F777-W786 HydrophobicContact CD1-CE3 4.31Å; F777-W786 HydrophobicContact CD1-CZ3 4.48Å; F777-W786 AromaticContact CE1-CE3 3.44Å; F777-W786 HydrophobicContact CE1-CE3 3.44Å; F777-W786 VanDerWaalsContact CE1-CE3 3.44Å; F777-W786 AromaticContact CE1-CZ3 3.94Å; F777-W786 HydrophobicContact CE1-CZ3 3.94Å; F777-W786 AromaticContact CZ-CE3 3.56Å; F777-W786 HydrophobicContact CZ-CE3 3.56Å; F777-W786 AromaticContact CZ-CZ3 3.93Å; F777-W786 HydrophobicContact CZ-CZ3 3.93Å |
| 778 | A | 77.3 | Confident | 88.4 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 19% | 0.19 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -161.2 | -178.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D782 W786 K801 | A778-D782 HydrophobicContact CB-CB 3.56Å; A778-W786 HydrophobicContact CB-CE3 4.13Å; A778-W786 HydrophobicContact CB-CH2 3.96Å; A778-W786 HydrophobicContact CB-CZ3 3.48Å; A778-W786 VanDerWaalsContact CB-CZ3 3.48Å; A778-K801 PolarHBondContact O-NZ 2.81Å |
| 779 | S | 87.8 | Confident | 88.4 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | trans | -63.7 | 160.3 | 164.1 | 75 | 0 | 0 | 0 | 0 | 110.5 | N781 D782 M783 E808 | S779-N781 VanDerWaalsContact C-N 3.26Å; S779-N781 PolarHBondContact O-N 3.13Å; S779-D782 WeakPolarHBondContact CB-OD2 3.35Å; S779-D782 PolarHBondContact O-N 3.44Å; S779-D782 WeakPolarHBondContact OG-CB 3.34Å; S779-D782 PolarHBondContact OG-N 2.8Å; S779-D782 VanDerWaalsContact OG-N 3.15Å; S779-D782 PolarHBondContact OG-OD2 2.98Å; S779-M783 WeakPolarHBondContact O-CB 3.39Å; S779-M783 PolarHBondContact O-N 3.15Å; S779-E808 VanDerWaalsContact C-OE2 3.31Å; S779-E808 WeakPolarHBondContact CA-OE2 3.12Å | ||
| 780 | L | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 177.2 | -65.3 | -177.3 | 0 | 0 | 0 | 111.3 | M783 V784 A799 K801 P805 E808 I809 L812 V836 I838 | L780-M783 PolarHBondContact O-N 3.31Å; L780-V784 WeakPolarHBondContact O-CG2 3.49Å; L780-V784 PolarHBondContact O-N 3.46Å; L780-A799 HydrophobicContact CD2-CB 3.4Å; L780-K801 VanDerWaalsContact CD2-CE 3.5Å; L780-P805 HydrophobicContact CD1-CG 4.22Å; L780-E808 HydrophobicContact CB-CB 4.09Å; L780-E808 HydrophobicContact CD1-CB 3.93Å; L780-E808 HydrophobicContact CG-CB 3.86Å; L780-E808 WeakPolarHBondContact CG-OE2 3.38Å; L780-E808 PolarHBondContact N-OE2 2.79Å; L780-I809 HydrophobicContact CD1-CG1 3.67Å; L780-L812 HydrophobicContact CB-CD2 4Å; L780-L812 HydrophobicContact CB-CG 4.28Å; L780-L812 HydrophobicContact CD1-CD1 4.36Å; L780-V836 HydrophobicContact CD1-CG1 4.07Å; L780-V836 HydrophobicContact CD1-CG2 4.44Å; L780-V836 HydrophobicContact CD2-CB 4.47Å; L780-I838 HydrophobicContact CB-CD1 4.36Å; L780-I838 HydrophobicContact CD1-CD1 4.39Å; L780-I838 HydrophobicContact CD2-CD1 4.05Å; L780-I838 HydrophobicContact CG-CD1 4.5Å |
| 781 | N | 89.7 | Confident | 88.1 | Confident | 57 Ų | 57 | 34.6 Ų | 34.6 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -48.2 | 176 | 179 | 55.1 | 0 | 0 | 0 | 111.9 | S779 M783 V784 S785 | S779-N781 VanDerWaalsContact C-N 3.26Å; S779-N781 PolarHBondContact O-N 3.13Å; N781-M783 VanDerWaalsContact C-N 3.34Å; N781-M783 PolarHBondContact O-N 2.83Å; N781-V784 VanDerWaalsContact O-CG2 3.27Å; N781-V784 WeakPolarHBondContact O-CG2 3.35Å; N781-V784 PolarHBondContact O-N 2.9Å; N781-S785 WeakPolarHBondContact O-CB 3.25Å; N781-S785 PolarHBondContact O-N 2.86Å |
| 782 | D | 89.6 | Confident | 87.7 | Confident | 54 Ų | 54 | 35.9 Ų | 35.9 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 177.9 | -63 | -34.7 | 0 | 0 | 0 | 111.5 | A778 S779 S785 W786 | A778-D782 HydrophobicContact CB-CB 3.56Å; S779-D782 WeakPolarHBondContact CB-OD2 3.35Å; S779-D782 PolarHBondContact O-N 3.44Å; S779-D782 WeakPolarHBondContact OG-CB 3.34Å; S779-D782 PolarHBondContact OG-N 2.8Å; S779-D782 VanDerWaalsContact OG-N 3.15Å; S779-D782 PolarHBondContact OG-OD2 2.98Å; D782-S785 PolarHBondContact O-N 2.89Å; D782-W786 HydrophobicContact CB-CD2 4.19Å; D782-W786 HydrophobicContact CB-CE3 4.32Å; D782-W786 HydrophobicContact CB-CH2 3.92Å; D782-W786 HydrophobicContact CB-CZ2 3.76Å; D782-W786 HydrophobicContact CB-CZ3 4.21Å; D782-W786 WeakPolarHBondContact O-CB 3.32Å; D782-W786 PolarHBondContact O-N 2.9Å |
| 783 | M | 90.3 | Very high | 87.2 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -51 | 178.1 | -179.7 | 175.2 | 176.5 | 0 | 0 | 111.3 | V772 S779 L780 N781 S785 C787 F797 A799 | V772-M783 HydrophobicContact CG1-CE 4Å; V772-M783 WeakPolarHBondContact O-CE 3.38Å; S779-M783 WeakPolarHBondContact O-CB 3.39Å; S779-M783 PolarHBondContact O-N 3.15Å; L780-M783 PolarHBondContact O-N 3.31Å; N781-M783 VanDerWaalsContact C-N 3.34Å; N781-M783 PolarHBondContact O-N 2.83Å; M783-S785 VanDerWaalsContact C-N 3.34Å; M783-C787 WeakPolarHBondContact O-CB 3.43Å; M783-C787 PolarHBondContact O-N 2.88Å; M783-C787 PolarHBondContact O-SG 2.84Å; M783-F797 HydrophobicContact CE-CB 4.02Å; M783-F797 HydrophobicContact CE-CD1 4.05Å; M783-F797 HydrophobicContact CG-CD1 4.43Å; M783-A799 HydrophobicContact SD-CB 3.86Å |
| 784 | V | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | L780 N781 H788 F797 L812 P813 Y816 I838 | L780-V784 WeakPolarHBondContact O-CG2 3.49Å; L780-V784 PolarHBondContact O-N 3.46Å; N781-V784 VanDerWaalsContact O-CG2 3.27Å; N781-V784 WeakPolarHBondContact O-CG2 3.35Å; N781-V784 PolarHBondContact O-N 2.9Å; V784-H788 WeakPolarHBondContact O-CA 3.47Å; V784-H788 VanDerWaalsContact O-CB 3.27Å; V784-H788 WeakPolarHBondContact O-CB 3.39Å; V784-H788 PolarHBondContact O-N 2.92Å; V784-F797 HydrophobicContact CG1-CD2 4.09Å; V784-F797 HydrophobicContact CG1-CE2 4.22Å; V784-F797 HydrophobicContact CG1-CG 4.25Å; V784-L812 HydrophobicContact CG1-CD2 4.03Å; V784-L812 HydrophobicContact CG2-CD2 3.92Å; V784-P813 HydrophobicContact CG2-CG 4.24Å; V784-Y816 HydrophobicContact CB-CD1 4.26Å; V784-Y816 HydrophobicContact CB-CD2 4.1Å; V784-Y816 HydrophobicContact CB-CE1 4.16Å; V784-Y816 HydrophobicContact CB-CE2 3.97Å; V784-Y816 HydrophobicContact CB-CG 4.24Å; V784-Y816 HydrophobicContact CG1-CD1 4.11Å; V784-Y816 HydrophobicContact CG1-CE1 4.37Å; V784-Y816 HydrophobicContact CG1-CG 4.21Å; V784-Y816 HydrophobicContact CG2-CD2 3.94Å; V784-Y816 HydrophobicContact CG2-CE2 4.03Å; V784-Y816 HydrophobicContact CG2-CG 4.37Å; V784-I838 HydrophobicContact CG1-CD1 4.23Å; V784-I838 HydrophobicContact CG1-CG2 4.35Å |
| 785 | S | 90 | Very high | 86.8 | Confident | 63 Ų | 63 | 48 Ų | 48 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -50.5 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | N781 D782 M783 H788 | N781-S785 WeakPolarHBondContact O-CB 3.25Å; N781-S785 PolarHBondContact O-N 2.86Å; D782-S785 PolarHBondContact O-N 2.89Å; M783-S785 VanDerWaalsContact C-N 3.34Å; S785-H788 PolarHBondContact O-ND1 3.26Å |
| 786 | W | 90 | Very high | 87.1 | Confident | 91 Ų | 91 | 46.9 Ų | 46.9 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.3 | -28.6 | -176.9 | -57.9 | -18.8 | 0 | 0 | 0 | 112.6 | V760 F777 A778 D782 H789 | V760-W786 HydrophobicContact CG1-CB 3.83Å; F777-W786 HydrophobicContact CD1-CE3 4.31Å; F777-W786 HydrophobicContact CD1-CZ3 4.48Å; F777-W786 AromaticContact CE1-CE3 3.44Å; F777-W786 HydrophobicContact CE1-CE3 3.44Å; F777-W786 VanDerWaalsContact CE1-CE3 3.44Å; F777-W786 AromaticContact CE1-CZ3 3.94Å; F777-W786 HydrophobicContact CE1-CZ3 3.94Å; F777-W786 AromaticContact CZ-CE3 3.56Å; F777-W786 HydrophobicContact CZ-CE3 3.56Å; F777-W786 AromaticContact CZ-CZ3 3.93Å; F777-W786 HydrophobicContact CZ-CZ3 3.93Å; A778-W786 HydrophobicContact CB-CE3 4.13Å; A778-W786 HydrophobicContact CB-CH2 3.96Å; A778-W786 HydrophobicContact CB-CZ3 3.48Å; A778-W786 VanDerWaalsContact CB-CZ3 3.48Å; D782-W786 HydrophobicContact CB-CD2 4.19Å; D782-W786 HydrophobicContact CB-CE3 4.32Å; D782-W786 HydrophobicContact CB-CH2 3.92Å; D782-W786 HydrophobicContact CB-CZ2 3.76Å; D782-W786 HydrophobicContact CB-CZ3 4.21Å; D782-W786 WeakPolarHBondContact O-CB 3.32Å; D782-W786 PolarHBondContact O-N 2.9Å; W786-H789 PolarHBondContact O-CE1 3.47Å; W786-H789 PolarHBondContact O-ND1 3.23Å |
| 787 | C | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -107.4 | 5.4 | -172.7 | -55 | 0 | 0 | 0 | 0 | 114 | V772 M783 H789 L790 P791 F797 | V772-C787 HydrophobicContact CG1-CB 4.04Å; M783-C787 WeakPolarHBondContact O-CB 3.43Å; M783-C787 PolarHBondContact O-N 2.88Å; M783-C787 PolarHBondContact O-SG 2.84Å; C787-H789 PolarHBondContact O-N 2.87Å; C787-L790 HydrophobicContact CB-CD1 4Å; C787-L790 WeakPolarHBondContact O-CB 3.3Å; C787-L790 PolarHBondContact O-N 2.87Å; C787-P791 WeakPolarHBondContact O-CD 3.22Å; C787-F797 HydrophobicContact CB-CD1 4.41Å; C787-F797 HydrophobicContact CB-CE1 3.63Å |
| 788 | H | 90.5 | Very high | 89.9 | Confident | 114 Ų | 114 | 39.5 Ų | 39.5 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.3 | -173.6 | 69.1 | -81.7 | 0 | 0 | 0 | 114.3 | V784 S785 Y816 | V784-H788 WeakPolarHBondContact O-CA 3.47Å; V784-H788 VanDerWaalsContact O-CB 3.27Å; V784-H788 WeakPolarHBondContact O-CB 3.39Å; V784-H788 PolarHBondContact O-N 2.92Å; S785-H788 PolarHBondContact O-ND1 3.26Å; H788-Y816 WeakPolarHBondContact CB-OH 3.32Å |
| 789 | H | 91.1 | Very high | 90.6 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -14.8 | -176.4 | 62 | -83.2 | 0 | 0 | 0 | 113.6 | V760 F763 S765 W786 C787 | V760-H789 PolarHBondContact O-CE1 2.86Å; V760-H789 VanDerWaalsContact O-CE1 3.28Å; V760-H789 PolarHBondContact O-NE2 2.9Å; V760-H789 VanDerWaalsContact O-NE2 3.13Å; F763-H789 PolarHBondContact O-NE2 3.07Å; S765-H789 WeakPolarHBondContact CB-O 3.46Å; W786-H789 PolarHBondContact O-CE1 3.47Å; W786-H789 PolarHBondContact O-ND1 3.23Å; C787-H789 PolarHBondContact O-N 2.87Å |
| 790 | L | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -80.5 | -46.8 | -173.4 | -62.9 | 175.1 | 0 | 0 | 0 | 115.1 | I706 V708 V760 F763 F769 V772 C787 | I706-L790 HydrophobicContact CD1-CD1 4.12Å; I706-L790 HydrophobicContact CD1-CD2 4.44Å; I706-L790 HydrophobicContact CG2-CD1 4.13Å; V708-L790 HydrophobicContact CG2-CD1 4.11Å; V760-L790 HydrophobicContact CG2-CD1 3.59Å; F763-L790 HydrophobicContact CD1-CD2 3.76Å; F769-L790 HydrophobicContact CD2-CB 4.1Å; F769-L790 HydrophobicContact CD2-CD2 4.33Å; F769-L790 HydrophobicContact CE2-CD2 4.14Å; F769-L790 PolarHBondContact N-O 2.92Å; V772-L790 HydrophobicContact CG2-CB 3.86Å; V772-L790 HydrophobicContact CG2-CD1 4.39Å; C787-L790 HydrophobicContact CB-CD1 4Å; C787-L790 WeakPolarHBondContact O-CB 3.3Å; C787-L790 PolarHBondContact O-N 2.87Å |
| 791 | P | 90.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 148.1 | -177 | 29.4 | -32.8 | 0 | 0 | 0 | 112.4 | F769 V772 C787 F797 | F769-P791 VanDerWaalsContact O-CA 3.31Å; F769-P791 WeakPolarHBondContact O-CA 3.36Å; V772-P791 HydrophobicContact CG2-CB 4.35Å; V772-P791 HydrophobicContact CG2-CG 4.39Å; C787-P791 WeakPolarHBondContact O-CD 3.22Å; P791-F797 HydrophobicContact CG-CE1 4.2Å; P791-F797 HydrophobicContact CG-CE2 3.87Å; P791-F797 HydrophobicContact CG-CZ 3.53Å |
| 792 | G | 86.4 | Confident | 90.8 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -178.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F769 Q794 G795 | F769-G792 PolarHBondContact O-N 2.87Å; G792-Q794 PolarHBondContact O-N 3Å; G792-G795 PolarHBondContact O-N 2.97Å |
| 793 | E | 84.1 | Confident | 90.6 | Very high | 146 Ų | 146 | 42.4 Ų | 42.4 | 68% | 0.682 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -54.3 | -28.5 | 179.4 | -75.2 | -165.8 | -166.1 | 0 | 0 | 114.7 | K842 | E793-K842 WeakPolarHBondContact OE2-CE 3.47Å; E793-K842 IonicContact OE2-NZ 3.71Å; E793-K842 PolarHBondContact OE2-NZ 2.92Å |
| 794 | Q | 86.4 | Confident | 90.5 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 3.3 | 177.8 | -59.9 | -56.9 | -36 | 0 | 0 | 113 | G792 | G792-Q794 PolarHBondContact O-N 3Å |
| 795 | G | 91.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 154.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D770 G792 | D770-G795 CarbonylContact O-C 3.42Å; D770-G795 WeakPolarHBondContact O-CA 3.39Å; G792-G795 PolarHBondContact O-N 2.97Å |
| 796 | R | 94.6 | Very high | 90.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 152.8 | -177.6 | -69 | 175.1 | 176.5 | 97.1 | -16.2 | 111.9 | D770 G771 V772 Y798 E819 V837 I838 | D770-R796 PolarHBondContact O-N 2.83Å; G771-R796 CarbonylContact C-O 3.55Å; G771-R796 VanDerWaalsContact CA-O 3.27Å; G771-R796 WeakPolarHBondContact CA-O 3.42Å; V772-R796 PolarHBondContact N-O 3.07Å; R796-Y798 HydrophobicContact CB-CD2 4.41Å; R796-Y798 HydrophobicContact CB-CE2 3.75Å; R796-Y798 WeakPolarHBondContact CD-OH 3.45Å; R796-E819 IonicContact CZ-OE1 3.49Å; R796-E819 IonicContact CZ-OE2 2.89Å; R796-E819 IonicContact NE-OE1 3.79Å; R796-E819 PolarHBondContact NE-OE1 3.45Å; R796-E819 IonicContact NE-OE2 3.81Å; R796-E819 PolarHBondContact NE-OE2 3.37Å; R796-E819 IonicContact NH2-OE1 3.42Å; R796-E819 PolarHBondContact NH2-OE1 3.36Å; R796-E819 IonicContact NH2-OE2 3.61Å; R796-E819 PolarHBondContact NH2-OE2 3.2Å; R796-V837 HydrophobicContact CB-CG1 4.27Å; R796-V837 HydrophobicContact CG-CG1 4.35Å; R796-I838 CarbonylContact C-O 3.44Å; R796-I838 WeakPolarHBondContact CA-O 3.25Å |
| 797 | F | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.9 | 165.6 | -57.3 | -91.8 | 0 | 0 | 0 | 109.5 | V772 M783 V784 C787 P791 Y816 V837 I838 | V772-F797 HydrophobicContact CB-CD1 3.63Å; V772-F797 HydrophobicContact CB-CE1 3.96Å; V772-F797 HydrophobicContact CB-CG 4.47Å; V772-F797 HydrophobicContact CG1-CD1 3.89Å; V772-F797 HydrophobicContact CG1-CE1 4.16Å; V772-F797 HydrophobicContact CG2-CD1 4.12Å; V772-F797 HydrophobicContact CG2-CE1 3.96Å; V772-F797 CarbonylContact O-C 3.54Å; V772-F797 WeakPolarHBondContact O-CA 3.38Å; M783-F797 HydrophobicContact CE-CB 4.02Å; M783-F797 HydrophobicContact CE-CD1 4.05Å; M783-F797 HydrophobicContact CG-CD1 4.43Å; V784-F797 HydrophobicContact CG1-CD2 4.09Å; V784-F797 HydrophobicContact CG1-CE2 4.22Å; V784-F797 HydrophobicContact CG1-CG 4.25Å; C787-F797 HydrophobicContact CB-CD1 4.41Å; C787-F797 HydrophobicContact CB-CE1 3.63Å; P791-F797 HydrophobicContact CG-CE1 4.2Å; P791-F797 HydrophobicContact CG-CE2 3.87Å; P791-F797 HydrophobicContact CG-CZ 3.53Å; F797-Y816 HydrophobicContact CE2-CD1 4.16Å; F797-Y816 AromaticContact CE2-CE1 3.7Å; F797-Y816 HydrophobicContact CE2-CE1 3.7Å; F797-Y816 HydrophobicContact CZ-CE1 4.32Å; F797-V837 WeakPolarHBondContact O-CA 3.43Å; F797-I838 HydrophobicContact CB-CB 4.12Å; F797-I838 HydrophobicContact CD2-CB 4.39Å; F797-I838 PolarHBondContact N-O 3Å; F797-I838 PolarHBondContact O-N 2.87Å |
| 798 | Y | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 93.2 | -179.9 | -66.1 | -77.4 | 0 | 0 | 0 | 108.8 | Y699 L700 Q701 F705 V772 I773 S774 R796 L835 V837 | Y699-Y798 WeakPolarHBondContact O-CE1 3.18Å; L700-Y798 HydrophobicContact CD2-CD1 3.55Å; L700-Y798 HydrophobicContact CD2-CD2 3.65Å; L700-Y798 HydrophobicContact CD2-CE1 3.84Å; L700-Y798 HydrophobicContact CD2-CE2 3.93Å; L700-Y798 HydrophobicContact CD2-CG 3.43Å; L700-Y798 VanDerWaalsContact CD2-CG 3.43Å; Q701-Y798 PolarHBondContact N-OH 3.44Å; F705-Y798 HydrophobicContact CE1-CE2 4.17Å; V772-Y798 PolarHBondContact O-N 3.29Å; I773-Y798 WeakPolarHBondContact CA-O 3.31Å; I773-Y798 HydrophobicContact CG1-CD2 4.26Å; S774-Y798 PolarHBondContact N-O 3.11Å; S774-Y798 VanDerWaalsContact N-O 3.08Å; R796-Y798 HydrophobicContact CB-CD2 4.41Å; R796-Y798 HydrophobicContact CB-CE2 3.75Å; R796-Y798 WeakPolarHBondContact CD-OH 3.45Å; Y798-L835 HydrophobicContact CD1-CD1 4.41Å; Y798-L835 HydrophobicContact CD1-CD2 4.4Å; Y798-V837 HydrophobicContact CD1-CG1 4.28Å; Y798-V837 HydrophobicContact CD1-CG2 3.94Å; Y798-V837 HydrophobicContact CE1-CG1 3.87Å; Y798-V837 HydrophobicContact CE1-CG2 3.98Å |
| 799 | A | 93.8 | Very high | 90 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L780 M783 V836 | L780-A799 HydrophobicContact CD2-CB 3.4Å; M783-A799 HydrophobicContact SD-CB 3.86Å; A799-V836 HydrophobicContact CB-CB 4.39Å; A799-V836 PolarHBondContact N-O 3.03Å; A799-V836 PolarHBondContact O-N 2.67Å |
| 800 | L | 93.6 | Very high | 89.9 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120 | 175.5 | -73.4 | 70.7 | 0 | 0 | 0 | 110 | V696 P715 I773 S774 R775 L835 | V696-L800 HydrophobicContact CG1-CD1 4.38Å; V696-L800 HydrophobicContact CG2-CD1 4.19Å; V696-L800 HydrophobicContact CG2-CD2 3.81Å; V696-L800 HydrophobicContact CG2-CG 3.87Å; P715-L800 HydrophobicContact CB-CD2 4.33Å; P715-L800 HydrophobicContact CG-CD1 4.43Å; P715-L800 HydrophobicContact CG-CD2 4.27Å; I773-L800 HydrophobicContact CG2-CD1 4.02Å; S774-L800 PolarHBondContact O-N 2.91Å; R775-L800 HydrophobicContact CB-CB 4.28Å; R775-L800 HydrophobicContact CB-CD2 4.36Å; R775-L800 HydrophobicContact CG-CB 4.28Å; R775-L800 HydrophobicContact CG-CD2 4.37Å; L800-L835 HydrophobicContact CD1-CD1 3.94Å; L800-L835 HydrophobicContact CG-CD1 4.38Å |
| 801 | K | 90.1 | Very high | 89.8 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.8 | -174.9 | -64.6 | -71.5 | -171.9 | 168.9 | 0 | 111.8 | A778 L780 Q803 P805 E808 R833 H834 V836 | A778-K801 PolarHBondContact O-NZ 2.81Å; L780-K801 VanDerWaalsContact CD2-CE 3.5Å; K801-Q803 VanDerWaalsContact C-N 3.32Å; K801-Q803 WeakPolarHBondContact CB-O 3.39Å; K801-P805 HydrophobicContact CB-CG 4.38Å; K801-P805 HydrophobicContact CD-CB 4.48Å; K801-P805 HydrophobicContact CG-CB 4.28Å; K801-P805 HydrophobicContact CG-CG 4.07Å; K801-E808 WeakPolarHBondContact CE-OE2 3.41Å; K801-E808 IonicContact NZ-OE1 3.37Å; K801-E808 PolarHBondContact NZ-OE1 3.08Å; K801-E808 IonicContact NZ-OE2 3.32Å; K801-E808 PolarHBondContact NZ-OE2 3.16Å; K801-R833 WeakPolarHBondContact O-CA 3.24Å; K801-H834 PolarHBondContact N-O 3.42Å; K801-H834 PolarHBondContact O-N 3.1Å; K801-V836 HydrophobicContact CG-CG2 4.42Å |
| 802 | G | 86.2 | Confident | 89.7 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -79.9 | -10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E832 | G802-E832 CarbonylContact C-O 3.57Å; G802-E832 CarbonylContact O-C 3.55Å |
| 803 | Q | 86.2 | Confident | 89.8 | Confident | 149 Ų | 149 | 59.2 Ų | 59.2 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -148.6 | 166.5 | 177.4 | -64.2 | -174 | 1.4 | 0 | 0 | 108.3 | K801 P805 H834 | K801-Q803 VanDerWaalsContact C-N 3.32Å; K801-Q803 WeakPolarHBondContact CB-O 3.39Å; Q803-P805 VanDerWaalsContact O-CD 3.3Å; Q803-P805 WeakPolarHBondContact O-CD 3.45Å; Q803-H834 VanDerWaalsContact C-ND1 3.35Å |
| 804 | M | 88.7 | Confident | 89.9 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | trans | -65 | 117 | 173.7 | -174.9 | 67 | 179 | 0 | 0 | 109.1 | E806 I809 V821 H834 | M804-E806 VanDerWaalsContact C-N 3.31Å; M804-E806 HydrophobicContact CG-CG 3.71Å; M804-E806 PolarHBondContact O-N 3.41Å; M804-E806 VanDerWaalsContact O-N 3.12Å; M804-I809 HydrophobicContact CE-CD1 4.45Å; M804-V821 HydrophobicContact CE-CB 4.3Å; M804-V821 HydrophobicContact CE-CG1 4.02Å; M804-V821 HydrophobicContact CE-CG2 4.31Å; M804-V821 HydrophobicContact SD-CG1 3.65Å; M804-H834 PolarHBondContact N-ND1 2.77Å | ||
| 805 | P | 86.6 | Confident | 90.1 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | trans | -92.8 | 56.8 | -169.4 | 38.7 | -36.8 | 0 | 0 | 0 | 111.3 | L780 K801 Q803 D807 E808 I809 V836 | L780-P805 HydrophobicContact CD1-CG 4.22Å; K801-P805 HydrophobicContact CB-CG 4.38Å; K801-P805 HydrophobicContact CD-CB 4.48Å; K801-P805 HydrophobicContact CG-CB 4.28Å; K801-P805 HydrophobicContact CG-CG 4.07Å; Q803-P805 VanDerWaalsContact O-CD 3.3Å; Q803-P805 WeakPolarHBondContact O-CD 3.45Å; P805-D807 VanDerWaalsContact C-N 3.33Å; P805-D807 PolarHBondContact O-N 2.95Å; P805-E808 HydrophobicContact CB-CB 4.14Å; P805-E808 HydrophobicContact CB-CG 4.21Å; P805-E808 PolarHBondContact O-N 3.2Å; P805-E808 VanDerWaalsContact O-N 3.16Å; P805-I809 HydrophobicContact CG-CD1 4.05Å; P805-I809 HydrophobicContact CG-CG1 4.25Å; P805-I809 WeakPolarHBondContact O-CG1 3.35Å; P805-I809 PolarHBondContact O-N 2.77Å; P805-V836 HydrophobicContact CG-CG2 3.58Å | ||
| 806 | E | 88.9 | Confident | 90.1 | Very high | 136 Ų | 136 | 61.9 Ų | 61.9 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.9 | -45.2 | -174.7 | -61.8 | -173.5 | 164.6 | 0 | 0 | 112.3 | M804 E808 I809 A810 | M804-E806 VanDerWaalsContact C-N 3.31Å; M804-E806 HydrophobicContact CG-CG 3.71Å; M804-E806 PolarHBondContact O-N 3.41Å; M804-E806 VanDerWaalsContact O-N 3.12Å; E806-E808 VanDerWaalsContact C-N 3.34Å; E806-E808 PolarHBondContact O-N 3.36Å; E806-I809 PolarHBondContact O-N 2.89Å; E806-A810 PolarHBondContact O-N 3.4Å |
| 807 | D | 88.2 | Confident | 89.9 | Confident | 135 Ų | 135 | 66 Ų | 66 | 72% | 0.722 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 178.4 | -64 | -31 | 0 | 0 | 0 | 112.2 | P805 A810 L811 | P805-D807 VanDerWaalsContact C-N 3.33Å; P805-D807 PolarHBondContact O-N 2.95Å; D807-A810 PolarHBondContact O-N 3.2Å; D807-L811 WeakPolarHBondContact O-CG 3.33Å; D807-L811 PolarHBondContact O-N 2.59Å |
| 808 | E | 89 | Confident | 89.8 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73 | -33.5 | 179.4 | -54.6 | -171.3 | -138.7 | 0 | 0 | 112 | S779 L780 K801 P805 E806 A810 L811 L812 | S779-E808 VanDerWaalsContact C-OE2 3.31Å; S779-E808 WeakPolarHBondContact CA-OE2 3.12Å; L780-E808 HydrophobicContact CB-CB 4.09Å; L780-E808 HydrophobicContact CD1-CB 3.93Å; L780-E808 HydrophobicContact CG-CB 3.86Å; L780-E808 WeakPolarHBondContact CG-OE2 3.38Å; L780-E808 PolarHBondContact N-OE2 2.79Å; K801-E808 WeakPolarHBondContact CE-OE2 3.41Å; K801-E808 IonicContact NZ-OE1 3.37Å; K801-E808 PolarHBondContact NZ-OE1 3.08Å; K801-E808 IonicContact NZ-OE2 3.32Å; K801-E808 PolarHBondContact NZ-OE2 3.16Å; P805-E808 HydrophobicContact CB-CB 4.14Å; P805-E808 HydrophobicContact CB-CG 4.21Å; P805-E808 PolarHBondContact O-N 3.2Å; P805-E808 VanDerWaalsContact O-N 3.16Å; E806-E808 VanDerWaalsContact C-N 3.34Å; E806-E808 PolarHBondContact O-N 3.36Å; E808-A810 VanDerWaalsContact C-N 3.34Å; E808-L811 PolarHBondContact O-N 3.25Å; E808-L812 PolarHBondContact O-N 2.73Å |
| 809 | I | 90 | Very high | 89.6 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 174.9 | -70.3 | 168.8 | 0 | 0 | 0 | 110 | L780 M804 P805 E806 L811 L812 V818 V821 | L780-I809 HydrophobicContact CD1-CG1 3.67Å; M804-I809 HydrophobicContact CE-CD1 4.45Å; P805-I809 HydrophobicContact CG-CD1 4.05Å; P805-I809 HydrophobicContact CG-CG1 4.25Å; P805-I809 WeakPolarHBondContact O-CG1 3.35Å; P805-I809 PolarHBondContact O-N 2.77Å; E806-I809 PolarHBondContact O-N 2.89Å; I809-L811 PolarHBondContact O-N 2.86Å; I809-L812 WeakPolarHBondContact O-CB 3.42Å; I809-L812 PolarHBondContact O-N 2.84Å; I809-V818 HydrophobicContact CG1-CG2 4.17Å; I809-V818 HydrophobicContact CG2-CG2 3.86Å; I809-V821 HydrophobicContact CD1-CG2 3.95Å |
| 810 | A | 89.3 | Confident | 89.6 | Confident | 85 Ų | 85 | 73.8 Ų | 73.8 | 70% | 0.702 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.6 | -20.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E806 D807 E808 | E806-A810 PolarHBondContact O-N 3.4Å; D807-A810 PolarHBondContact O-N 3.2Å; E808-A810 VanDerWaalsContact C-N 3.34Å |
| 811 | L | 90.5 | Very high | 89.6 | Confident | 122 Ų | 122 | 75.4 Ų | 75.4 | 64% | 0.639 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 3.7 | 179 | -67.9 | 172 | 0 | 0 | 0 | 113.5 | D807 E808 I809 | D807-L811 WeakPolarHBondContact O-CG 3.33Å; D807-L811 PolarHBondContact O-N 2.59Å; E808-L811 PolarHBondContact O-N 3.25Å; I809-L811 PolarHBondContact O-N 2.86Å |
| 812 | L | 89.7 | Confident | 89.8 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -66.2 | 137.1 | 175.5 | -82.6 | 167.5 | 0 | 0 | 0 | 110.7 | L780 V784 E808 I809 V818 I838 | L780-L812 HydrophobicContact CB-CD2 4Å; L780-L812 HydrophobicContact CB-CG 4.28Å; L780-L812 HydrophobicContact CD1-CD1 4.36Å; V784-L812 HydrophobicContact CG1-CD2 4.03Å; V784-L812 HydrophobicContact CG2-CD2 3.92Å; E808-L812 PolarHBondContact O-N 2.73Å; I809-L812 WeakPolarHBondContact O-CB 3.42Å; I809-L812 PolarHBondContact O-N 2.84Å; L812-V818 HydrophobicContact CD1-CG2 3.5Å; L812-I838 HydrophobicContact CD1-CD1 3.95Å; L812-I838 HydrophobicContact CD1-CG1 4.36Å; L812-I838 HydrophobicContact CD2-CD1 4.03Å |
| 813 | P | 88.3 | Confident | 90 | Very high | 37 Ų | 37 | 78.8 Ų | 78.8 | 24% | 0.24 | 41% | 0.406 | C | S | . | . | trans | -59.5 | 149.4 | 173.7 | -20.5 | 31.7 | 0 | 0 | 0 | 111.8 | V784 E815 Y816 | V784-P813 HydrophobicContact CG2-CG 4.24Å; P813-E815 WeakPolarHBondContact CB-OE2 3.27Å; P813-E815 PolarHBondContact O-N 3.02Å; P813-E815 VanDerWaalsContact O-N 3.08Å; P813-Y816 HydrophobicContact CB-CD2 4.1Å; P813-Y816 HydrophobicContact CG-CD2 4.21Å; P813-Y816 PolarHBondContact O-N 2.75Å | ||
| 814 | E | 87 | Confident | 90.2 | Very high | 181 Ų | 181 | 72.2 Ų | 72.2 | 85% | 0.846 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.6 | -175.7 | -65.7 | -173 | 172.6 | 0 | 0 | 113.2 | Y816 N841 | E814-Y816 PolarHBondContact O-N 3.23Å; E814-N841 PolarHBondContact O-ND2 3.24Å; E814-N841 VanDerWaalsContact O-ND2 3.15Å |
| 815 | E | 89.2 | Confident | 90.1 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.9 | 175.6 | -50.9 | 84.7 | -177.9 | 0 | 0 | 113.2 | P813 A840 N841 I843 | P813-E815 WeakPolarHBondContact CB-OE2 3.27Å; P813-E815 PolarHBondContact O-N 3.02Å; P813-E815 VanDerWaalsContact O-N 3.08Å; E815-A840 CarbonylContact O-C 3.52Å; E815-A840 WeakPolarHBondContact O-CA 3.33Å; E815-N841 PolarHBondContact O-N 3.39Å; E815-I843 HydrophobicContact CG-CD1 3.93Å |
| 816 | Y | 91.5 | Very high | 90.1 | Very high | 42 Ų | 42 | 75.8 Ų | 75.8 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.8 | -179.8 | -64.8 | -81 | 0 | 0 | 0 | 111.6 | V784 H788 F797 P813 E814 I838 A840 | V784-Y816 HydrophobicContact CB-CD1 4.26Å; V784-Y816 HydrophobicContact CB-CD2 4.1Å; V784-Y816 HydrophobicContact CB-CE1 4.16Å; V784-Y816 HydrophobicContact CB-CE2 3.97Å; V784-Y816 HydrophobicContact CB-CG 4.24Å; V784-Y816 HydrophobicContact CG1-CD1 4.11Å; V784-Y816 HydrophobicContact CG1-CE1 4.37Å; V784-Y816 HydrophobicContact CG1-CG 4.21Å; V784-Y816 HydrophobicContact CG2-CD2 3.94Å; V784-Y816 HydrophobicContact CG2-CE2 4.03Å; V784-Y816 HydrophobicContact CG2-CG 4.37Å; H788-Y816 WeakPolarHBondContact CB-OH 3.32Å; F797-Y816 HydrophobicContact CE2-CD1 4.16Å; F797-Y816 AromaticContact CE2-CE1 3.7Å; F797-Y816 HydrophobicContact CE2-CE1 3.7Å; F797-Y816 HydrophobicContact CZ-CE1 4.32Å; P813-Y816 HydrophobicContact CB-CD2 4.1Å; P813-Y816 HydrophobicContact CG-CD2 4.21Å; P813-Y816 PolarHBondContact O-N 2.75Å; E814-Y816 PolarHBondContact O-N 3.23Å; Y816-I838 HydrophobicContact CD1-CG2 4.22Å; Y816-I838 HydrophobicContact CG-CG2 4.41Å; Y816-A840 HydrophobicContact CD1-CB 4.17Å; Y816-A840 HydrophobicContact CE1-CB 3.98Å |
| 817 | Q | 90.9 | Very high | 89.8 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.5 | 176.4 | -179.3 | 177.5 | 2.6 | 0 | 0 | 110.5 | E819 I838 K839 N841 | Q817-E819 PolarHBondContact O-N 3.19Å; Q817-I838 WeakPolarHBondContact O-CA 3.48Å; Q817-I838 WeakPolarHBondContact O-CG2 3.13Å; Q817-K839 PolarHBondContact N-O 3.43Å; Q817-K839 PolarHBondContact O-N 3.16Å; Q817-N841 WeakPolarHBondContact CB-OD1 3.47Å; Q817-N841 PolarHBondContact OE1-OD1 3.11Å |
| 818 | V | 92.8 | Very high | 89.6 | Confident | 36 Ų | 36 | 68 Ų | 68 | 22% | 0.218 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 111 | 166.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | I809 L812 V821 V836 V837 I838 | I809-V818 HydrophobicContact CG1-CG2 4.17Å; I809-V818 HydrophobicContact CG2-CG2 3.86Å; L812-V818 HydrophobicContact CD1-CG2 3.5Å; V818-V821 HydrophobicContact CG1-CG2 3.6Å; V818-V836 HydrophobicContact CG1-CG1 3.87Å; V818-V836 HydrophobicContact CG2-CG1 4.17Å; V818-V837 CarbonylContact C-O 3.6Å; V818-V837 WeakPolarHBondContact CA-O 3.03Å; V818-I838 HydrophobicContact CG2-CG1 4.38Å |
| 819 | E | 92.1 | Very high | 89.4 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -38 | 177.9 | -176.6 | 174.4 | 159.2 | 0 | 0 | 111 | R796 Q817 V837 | R796-E819 IonicContact CZ-OE1 3.49Å; R796-E819 IonicContact CZ-OE2 2.89Å; R796-E819 IonicContact NE-OE1 3.79Å; R796-E819 PolarHBondContact NE-OE1 3.45Å; R796-E819 IonicContact NE-OE2 3.81Å; R796-E819 PolarHBondContact NE-OE2 3.37Å; R796-E819 IonicContact NH2-OE1 3.42Å; R796-E819 PolarHBondContact NH2-OE1 3.36Å; R796-E819 IonicContact NH2-OE2 3.61Å; R796-E819 PolarHBondContact NH2-OE2 3.2Å; Q817-E819 PolarHBondContact O-N 3.19Å; E819-V837 HydrophobicContact CB-CG1 4.36Å; E819-V837 PolarHBondContact N-O 3.06Å |
| 820 | S | 93.7 | Very high | 88.6 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 152.6 | 174.4 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | V837 | S820-V837 PolarHBondContact N-O 3.07Å; S820-V837 PolarHBondContact O-N 3.3Å; S820-V837 WeakPolarHBondContact OG-CG2 3.11Å |
| 821 | V | 93.5 | Very high | 88 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.3 | 164.7 | -173 | 0 | 0 | 0 | 0 | 108 | M804 I809 V818 H834 L835 V836 | M804-V821 HydrophobicContact CE-CB 4.3Å; M804-V821 HydrophobicContact CE-CG1 4.02Å; M804-V821 HydrophobicContact CE-CG2 4.31Å; M804-V821 HydrophobicContact SD-CG1 3.65Å; I809-V821 HydrophobicContact CD1-CG2 3.95Å; V818-V821 HydrophobicContact CG1-CG2 3.6Å; V821-H834 HydrophobicContact CG1-CB 4.24Å; V821-L835 CarbonylContact C-O 3.58Å; V821-L835 WeakPolarHBondContact CA-O 3.41Å; V821-V836 HydrophobicContact CG1-CG2 4.22Å; V821-V836 HydrophobicContact CG2-CG1 4.32Å; V821-V836 HydrophobicContact CG2-CG2 4.4Å |
| 822 | V | 92.7 | Very high | 87.8 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.7 | -176.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | Y699 L824 H834 L835 | Y699-V822 HydrophobicContact CD1-CG1 4.24Å; Y699-V822 HydrophobicContact CD1-CG2 4.01Å; Y699-V822 HydrophobicContact CE1-CB 4.4Å; Y699-V822 HydrophobicContact CE1-CG1 3.61Å; Y699-V822 HydrophobicContact CE1-CG2 4.08Å; Y699-V822 HydrophobicContact CE2-CG1 4.1Å; V822-L824 HydrophobicContact CG1-CD2 4.24Å; V822-L824 PolarHBondContact O-N 3.09Å; V822-H834 CarbonylContact O-C 3.52Å; V822-H834 VanDerWaalsContact O-CA 3.3Å; V822-H834 WeakPolarHBondContact O-CA 3.38Å; V822-L835 HydrophobicContact CB-CB 4.33Å; V822-L835 PolarHBondContact N-O 3.32Å; V822-L835 PolarHBondContact O-N 2.9Å |
| 823 | K | 92.3 | Very high | 87.8 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 112.6 | 168.3 | -172.7 | 167.9 | -170.1 | 157.5 | 0 | 109.2 | E832 | K823-E832 IonicContact NZ-OE1 2.59Å; K823-E832 PolarHBondContact NZ-OE1 3.26Å |
| 824 | L | 89.5 | Confident | 88 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | trans | -84.2 | 135.8 | -178 | -60.6 | 170.2 | 0 | 0 | 0 | 110.1 | V695 V696 Y699 V822 R833 L835 | V695-L824 HydrophobicContact CG2-CB 4.26Å; V695-L824 HydrophobicContact CG2-CD1 4.06Å; V695-L824 HydrophobicContact CG2-CD2 4.38Å; V695-L824 HydrophobicContact CG2-CG 4.48Å; V696-L824 HydrophobicContact CG2-CD1 3.76Å; Y699-L824 HydrophobicContact CD2-CD2 4.08Å; Y699-L824 HydrophobicContact CE2-CD2 3.65Å; V822-L824 HydrophobicContact CG1-CD2 4.24Å; V822-L824 PolarHBondContact O-N 3.09Å; L824-R833 HydrophobicContact CB-CB 3.94Å; L824-R833 HydrophobicContact CD1-CB 4.33Å; L824-R833 PolarHBondContact N-O 2.98Å; L824-L835 HydrophobicContact CD1-CB 4.09Å; L824-L835 HydrophobicContact CD2-CB 4.31Å; L824-L835 HydrophobicContact CG-CB 4.26Å | ||
| 825 | Q | 85.9 | Confident | 88.3 | Confident | 149 Ų | 149 | 61 Ų | 61 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | trans | -96 | 112.5 | 171.7 | -66.1 | -65.1 | -28.6 | 0 | 0 | 108.7 | P827 | Q825-P827 WeakPolarHBondContact O-CD 3.41Š| ||
| 826 | V | 86.8 | Confident | 88.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | trans | -114.1 | 102.4 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | L691 D692 V695 A828 L829 R833 | L691-V826 HydrophobicContact CB-CG1 4.16Å; L691-V826 HydrophobicContact CD2-CG1 3.94Å; L691-V826 HydrophobicContact CG-CG1 4Å; D692-V826 HydrophobicContact CB-CG1 4.47Å; V695-V826 HydrophobicContact CG1-CG2 4.37Å; V695-V826 HydrophobicContact CG2-CG2 3.84Å; V826-A828 PolarHBondContact O-N 2.93Å; V826-L829 HydrophobicContact CB-CB 3.91Å; V826-L829 HydrophobicContact CB-CD2 3.81Å; V826-L829 HydrophobicContact CG1-CB 3.77Å; V826-L829 HydrophobicContact CG1-CD2 3.92Å; V826-L829 HydrophobicContact CG1-CG 4.47Å; V826-L829 HydrophobicContact CG2-CD2 4.19Å; V826-L829 WeakPolarHBondContact O-CB 2.76Å; V826-L829 PolarHBondContact O-N 3.44Å; V826-R833 HydrophobicContact CG2-CB 4.35Å; V826-R833 HydrophobicContact CG2-CG 4.12Å | ||
| 827 | P | 83.3 | Confident | 88.7 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 139.3 | 177.2 | -27.8 | 32.2 | 0 | 0 | 0 | 112.9 | L644 D647 A648 L691 Q825 L829 | L644-P827 HydrophobicContact CD2-CB 4.21Å; D647-P827 HydrophobicContact CB-CB 3.94Å; D647-P827 HydrophobicContact CB-CG 3.84Å; A648-P827 HydrophobicContact CB-CG 3.9Å; L691-P827 HydrophobicContact CD2-CB 4.02Å; L691-P827 HydrophobicContact CD2-CG 4.11Å; L691-P827 WeakPolarHBondContact CD2-O 3.35Å; Q825-P827 WeakPolarHBondContact O-CD 3.41Å; P827-L829 PolarHBondContact O-N 3.39Å |
| 828 | A | 83.6 | Confident | 88.8 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 12.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L644 V687 V826 | L644-A828 HydrophobicContact CD2-CB 3.77Å; V687-A828 HydrophobicContact CG1-CB 4.38Å; V687-A828 HydrophobicContact CG2-CB 4.09Å; V826-A828 PolarHBondContact O-N 2.93Å |
| 829 | L | 84.2 | Confident | 88.8 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | trans | -99.7 | 113.8 | 172.7 | -175.2 | 71.6 | 0 | 0 | 0 | 110.4 | V687 R688 V826 P827 G831 R833 | V687-L829 HydrophobicContact CG1-CB 3.84Å; V687-L829 HydrophobicContact CG1-CD1 4.18Å; R688-L829 HydrophobicContact CG-CD1 3.88Å; V826-L829 HydrophobicContact CB-CB 3.91Å; V826-L829 HydrophobicContact CB-CD2 3.81Å; V826-L829 HydrophobicContact CG1-CB 3.77Å; V826-L829 HydrophobicContact CG1-CD2 3.92Å; V826-L829 HydrophobicContact CG1-CG 4.47Å; V826-L829 HydrophobicContact CG2-CD2 4.19Å; V826-L829 WeakPolarHBondContact O-CB 2.76Å; V826-L829 PolarHBondContact O-N 3.44Å; P827-L829 PolarHBondContact O-N 3.39Å; L829-G831 VanDerWaalsContact C-N 3.3Å; L829-G831 PolarHBondContact O-N 3.29Å; L829-R833 HydrophobicContact CD2-CG 3.6Å | ||
| 830 | D | 74.9 | Confident | 88.4 | Confident | 180 Ų | 180 | 48.6 Ų | 48.6 | 96% | 0.963 | 28% | 0.277 | S | S | * | . | trans | -77.9 | 81.9 | 169.5 | -76.7 | -22.7 | 0 | 0 | 0 | 109.8 | ||||
| 831 | G | 76.7 | Confident | 87.7 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 168.9 | 152.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L829 | L829-G831 VanDerWaalsContact C-N 3.3Å; L829-G831 PolarHBondContact O-N 3.29Å |
| 832 | E | 85.5 | Confident | 86.1 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | trans | -71.8 | 151.2 | 176 | -60 | -157.8 | 134 | 0 | 0 | 111.9 | G802 K823 H834 | G802-E832 CarbonylContact C-O 3.57Å; G802-E832 CarbonylContact O-C 3.55Å; K823-E832 IonicContact NZ-OE1 2.59Å; K823-E832 PolarHBondContact NZ-OE1 3.26Å; E832-H834 IonicContact OE2-CE1 2.85Å; E832-H834 PolarHBondContact OE2-CE1 3.23Å | ||
| 833 | R | 89.3 | Confident | 83.9 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -140.4 | 132.6 | 173.4 | -70.3 | -65.2 | -177.6 | -86.9 | -0 | 109.7 | D692 K801 L824 V826 L829 | D692-R833 WeakPolarHBondContact OD1-CD 3.37Å; D692-R833 VanDerWaalsContact OD1-CG 3.28Å; D692-R833 WeakPolarHBondContact OD1-CG 3.33Å; D692-R833 IonicContact OD1-NE 3.82Å; D692-R833 PolarHBondContact OD1-NE 3.01Å; D692-R833 IonicContact OD2-CZ 3.15Å; D692-R833 IonicContact OD2-NE 2.88Å; D692-R833 PolarHBondContact OD2-NE 3.48Å; D692-R833 IonicContact OD2-NH2 3.7Å; K801-R833 WeakPolarHBondContact O-CA 3.24Å; L824-R833 HydrophobicContact CB-CB 3.94Å; L824-R833 HydrophobicContact CD1-CB 4.33Å; L824-R833 PolarHBondContact N-O 2.98Å; V826-R833 HydrophobicContact CG2-CB 4.35Å; V826-R833 HydrophobicContact CG2-CG 4.12Å; L829-R833 HydrophobicContact CD2-CG 3.6Å | ||
| 834 | H | 91.9 | Very high | 83.5 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.7 | 178.8 | -62.5 | 88.6 | 0 | 0 | 0 | 109.6 | K801 Q803 M804 V821 V822 E832 | K801-H834 PolarHBondContact N-O 3.42Å; K801-H834 PolarHBondContact O-N 3.1Å; Q803-H834 VanDerWaalsContact C-ND1 3.35Å; M804-H834 PolarHBondContact N-ND1 2.77Å; V821-H834 HydrophobicContact CG1-CB 4.24Å; V822-H834 CarbonylContact O-C 3.52Å; V822-H834 VanDerWaalsContact O-CA 3.3Å; V822-H834 WeakPolarHBondContact O-CA 3.38Å; E832-H834 IonicContact OE2-CE1 2.85Å; E832-H834 PolarHBondContact OE2-CE1 3.23Å |
| 835 | L | 93.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118 | 165.8 | 178.6 | 69.5 | 0 | 0 | 0 | 108 | V696 Y699 Y798 L800 V821 V822 L824 V837 | V696-L835 HydrophobicContact CG1-CD1 3.77Å; V696-L835 HydrophobicContact CG1-CD2 3.87Å; V696-L835 HydrophobicContact CG1-CG 4.44Å; V696-L835 HydrophobicContact CG2-CD1 4.37Å; Y699-L835 VanDerWaalsContact CB-CD2 3.47Å; Y699-L835 HydrophobicContact CD2-CD2 4.08Å; Y699-L835 HydrophobicContact CG-CD2 3.92Å; Y798-L835 HydrophobicContact CD1-CD1 4.41Å; Y798-L835 HydrophobicContact CD1-CD2 4.4Å; L800-L835 HydrophobicContact CD1-CD1 3.94Å; L800-L835 HydrophobicContact CG-CD1 4.38Å; V821-L835 CarbonylContact C-O 3.58Å; V821-L835 WeakPolarHBondContact CA-O 3.41Å; V822-L835 HydrophobicContact CB-CB 4.33Å; V822-L835 PolarHBondContact N-O 3.32Å; V822-L835 PolarHBondContact O-N 2.9Å; L824-L835 HydrophobicContact CD1-CB 4.09Å; L824-L835 HydrophobicContact CD2-CB 4.31Å; L824-L835 HydrophobicContact CG-CB 4.26Å; L835-V837 HydrophobicContact CD2-CG2 4.13Å; L835-V837 HydrophobicContact CG-CG2 4.14Å |
| 836 | V | 93.8 | Very high | 83 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.3 | 171.6 | -173 | 0 | 0 | 0 | 0 | 108.2 | L780 A799 K801 P805 V818 V821 I838 | L780-V836 HydrophobicContact CD1-CG1 4.07Å; L780-V836 HydrophobicContact CD1-CG2 4.44Å; L780-V836 HydrophobicContact CD2-CB 4.47Å; A799-V836 HydrophobicContact CB-CB 4.39Å; A799-V836 PolarHBondContact N-O 3.03Å; A799-V836 PolarHBondContact O-N 2.67Å; K801-V836 HydrophobicContact CG-CG2 4.42Å; P805-V836 HydrophobicContact CG-CG2 3.58Å; V818-V836 HydrophobicContact CG1-CG1 3.87Å; V818-V836 HydrophobicContact CG2-CG1 4.17Å; V821-V836 HydrophobicContact CG1-CG2 4.22Å; V821-V836 HydrophobicContact CG2-CG1 4.32Å; V821-V836 HydrophobicContact CG2-CG2 4.4Å; V836-I838 HydrophobicContact CG1-CD1 4.21Å; V836-I838 HydrophobicContact CG1-CG1 3.84Å |
| 837 | V | 94.8 | Very high | 82.8 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.5 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | R796 F797 Y798 V818 E819 S820 L835 | R796-V837 HydrophobicContact CB-CG1 4.27Å; R796-V837 HydrophobicContact CG-CG1 4.35Å; F797-V837 WeakPolarHBondContact O-CA 3.43Å; Y798-V837 HydrophobicContact CD1-CG1 4.28Å; Y798-V837 HydrophobicContact CD1-CG2 3.94Å; Y798-V837 HydrophobicContact CE1-CG1 3.87Å; Y798-V837 HydrophobicContact CE1-CG2 3.98Å; V818-V837 CarbonylContact C-O 3.6Å; V818-V837 WeakPolarHBondContact CA-O 3.03Å; E819-V837 HydrophobicContact CB-CG1 4.36Å; E819-V837 PolarHBondContact N-O 3.06Å; S820-V837 PolarHBondContact N-O 3.07Å; S820-V837 PolarHBondContact O-N 3.3Å; S820-V837 WeakPolarHBondContact OG-CG2 3.11Å; L835-V837 HydrophobicContact CD2-CG2 4.13Å; L835-V837 HydrophobicContact CG-CG2 4.14Å |
| 838 | I | 93.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140 | -176.4 | -49.7 | 167.5 | 0 | 0 | 0 | 109 | L780 V784 R796 F797 L812 Y816 Q817 V818 V836 | L780-I838 HydrophobicContact CB-CD1 4.36Å; L780-I838 HydrophobicContact CD1-CD1 4.39Å; L780-I838 HydrophobicContact CD2-CD1 4.05Å; L780-I838 HydrophobicContact CG-CD1 4.5Å; V784-I838 HydrophobicContact CG1-CD1 4.23Å; V784-I838 HydrophobicContact CG1-CG2 4.35Å; R796-I838 CarbonylContact C-O 3.44Å; R796-I838 WeakPolarHBondContact CA-O 3.25Å; F797-I838 HydrophobicContact CB-CB 4.12Å; F797-I838 HydrophobicContact CD2-CB 4.39Å; F797-I838 PolarHBondContact N-O 3Å; F797-I838 PolarHBondContact O-N 2.87Å; L812-I838 HydrophobicContact CD1-CD1 3.95Å; L812-I838 HydrophobicContact CD1-CG1 4.36Å; L812-I838 HydrophobicContact CD2-CD1 4.03Å; Y816-I838 HydrophobicContact CD1-CG2 4.22Å; Y816-I838 HydrophobicContact CG-CG2 4.41Å; Q817-I838 WeakPolarHBondContact O-CA 3.48Å; Q817-I838 WeakPolarHBondContact O-CG2 3.13Å; V818-I838 HydrophobicContact CG2-CG1 4.38Å; V836-I838 HydrophobicContact CG1-CD1 4.21Å; V836-I838 HydrophobicContact CG1-CG1 3.84Å |
| 839 | K | 92.2 | Very high | 82.7 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.7 | 175.3 | -170.6 | 175.5 | -178.1 | 171.1 | 0 | 109.7 | Q817 | Q817-K839 PolarHBondContact N-O 3.43Å; Q817-K839 PolarHBondContact O-N 3.16Å |
| 840 | A | 85.2 | Confident | 82.6 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E815 Y816 | E815-A840 CarbonylContact O-C 3.52Å; E815-A840 WeakPolarHBondContact O-CA 3.33Å; Y816-A840 HydrophobicContact CD1-CB 4.17Å; Y816-A840 HydrophobicContact CE1-CB 3.98Å |
| 841 | N | 77.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | trans | -69.6 | 128.9 | 167.7 | -74.3 | -29.6 | 0 | 0 | 0 | 108.3 | E814 E815 Q817 I843 | E814-N841 PolarHBondContact O-ND2 3.24Å; E814-N841 VanDerWaalsContact O-ND2 3.15Å; E815-N841 PolarHBondContact O-N 3.39Å; Q817-N841 WeakPolarHBondContact CB-OD1 3.47Å; Q817-N841 PolarHBondContact OE1-OD1 3.11Å; N841-I843 PolarHBondContact O-N 3.33Å; N841-I843 VanDerWaalsContact O-N 3.09Å | ||
| 842 | K | 61.1 | Low | 83.7 | Confident | 150 Ų | 150 | 56.8 Ų | 56.8 | 65% | 0.652 | 28% | 0.283 | S | S | * | . | trans | -63 | 112.6 | 168.4 | -74.4 | -169.1 | 169.2 | -154.3 | 0 | 107.8 | E793 | E793-K842 WeakPolarHBondContact OE2-CE 3.47Å; E793-K842 IonicContact OE2-NZ 3.71Å; E793-K842 PolarHBondContact OE2-NZ 2.92Å | ||
| 843 | I | 45.7 | Very low | 83.6 | Confident | 207 Ų | 207 | 54 Ų | 54 | 100% | 1.062 | 27% | 0.271 | S | S | * | . | trans | -74.3 | 0 | 161 | -58.9 | 178.4 | 0 | 0 | 0 | 108.3 | E815 N841 | E815-I843 HydrophobicContact CG-CD1 3.93Å; N841-I843 PolarHBondContact O-N 3.33Å; N841-I843 VanDerWaalsContact O-N 3.09Å |
Retrieved 843 of 843 residues in 304 ms
(Link to these results)