| 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 | 21.2 | Very low | 50.8 | Low | 231 Ų | 231 | 63.9 Ų | 63.9 | 100% | 1.138 | 34% | 0.336 | S | S | * | . | 0 | 24 | 0 | -122.8 | 179.6 | -70.2 | 0 | 0 | 113.7 | K3 | M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.45Å | |||
| 2 | I | 23.3 | Very low | 54 | Low | 55 Ų | 55 | 58.6 Ų | 58.6 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | trans | -77.7 | -5.3 | -165.3 | -57.2 | 165.3 | 0 | 0 | 0 | 114.1 | I4 S5 | I2-I4 PolarHBondContact O-N 3.01Å; I2-S5 PolarHBondContact O-N 2.84Å | ||
| 3 | K | 28.1 | Very low | 56.5 | Low | 145 Ų | 145 | 54.5 Ų | 54.5 | 63% | 0.63 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -7.7 | -156.5 | -79 | -156.3 | 168.1 | -159.3 | 0 | 119.5 | M1 | M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.45Å |
| 4 | I | 32.4 | Very low | 58.6 | Low | 110 Ų | 110 | 51.4 Ų | 51.4 | 56% | 0.564 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.3 | 55 | 179.2 | -37.4 | 172.7 | 0 | 0 | 0 | 110.7 | I2 R847 | I2-I4 PolarHBondContact O-N 3.01Å; I4-R847 PolarHBondContact O-NE 3.4Å |
| 5 | S | 33.8 | Very low | 60.3 | Low | 49 Ų | 49 | 48.3 Ų | 48.3 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | trans | -69.6 | 148.2 | 150.8 | 42.4 | 0 | 0 | 0 | 0 | 109.2 | I2 | I2-S5 PolarHBondContact O-N 2.84Š| ||
| 6 | G | 46.3 | Very low | 61.5 | Low | 24 Ų | 24 | 45.5 Ų | 45.5 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | trans | -79.7 | 137.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T8 | G6-T8 PolarHBondContact O-N 3.47Š| ||
| 7 | N | 56.9 | Low | 62.2 | Low | 61 Ų | 61 | 46.9 Ų | 46.9 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 2.4 | 174 | -78 | 45.4 | 0 | 0 | 0 | 114.9 | V9 N1065 L1166 | N7-V9 VanDerWaalsContact C-N 3.28Å; N7-V9 PolarHBondContact O-N 3.05Å; N7-N1065 PolarHBondContact O-ND2 3.31Å; N7-N1065 PolarHBondContact O-OD1 2.9Å; N7-L1166 HydrophobicContact CB-CD1 4.32Å; N7-L1166 HydrophobicContact CB-CD2 4.11Å; N7-L1166 HydrophobicContact CB-CG 4.32Å |
| 8 | T | 68.9 | Low | 62.8 | Low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 11.8 | -174.9 | 37.7 | 0 | 0 | 0 | 0 | 114.4 | G6 I907 L1068 K1170 I1178 | G6-T8 PolarHBondContact O-N 3.47Å; T8-I907 WeakPolarHBondContact O-CG1 3.35Å; T8-I907 PolarHBondContact O-N 2.85Å; T8-L1068 HydrophobicContact CG2-CD2 3.78Å; T8-L1068 HydrophobicContact CG2-CG 4.39Å; T8-K1170 PolarHBondContact OG1-NZ 3.48Å; T8-I1178 HydrophobicContact CG2-CD1 4.25Å; T8-I1178 HydrophobicContact CG2-CG2 4.14Å |
| 9 | V | 78.3 | Confident | 63.6 | Low | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.8 | 165.7 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | N7 L842 H904 W905 D906 I1023 | N7-V9 VanDerWaalsContact C-N 3.28Å; N7-V9 PolarHBondContact O-N 3.05Å; V9-L842 HydrophobicContact CB-CD1 4.21Å; V9-L842 HydrophobicContact CG1-CD1 3.85Å; V9-L842 HydrophobicContact CG1-CD2 4.4Å; V9-L842 HydrophobicContact CG2-CD1 4.18Å; V9-L842 HydrophobicContact CG2-CD2 4.42Å; V9-H904 HydrophobicContact CG1-CB 3.98Å; V9-W905 CarbonylContact C-O 3.31Å; V9-W905 VanDerWaalsContact CA-O 3.28Å; V9-W905 WeakPolarHBondContact CA-O 3.35Å; V9-D906 HydrophobicContact CG2-CB 4.02Å; V9-I1023 HydrophobicContact CB-CD1 4.26Å; V9-I1023 HydrophobicContact CG1-CD1 4.03Å |
| 10 | I | 83.9 | Confident | 64.4 | Low | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 113.3 | 178.8 | -57.6 | 159.4 | 0 | 0 | 0 | 108.6 | F12 W905 I907 I972 V1020 L1066 S1069 | I10-F12 HydrophobicContact CB-CD2 4.47Å; I10-F12 HydrophobicContact CB-CE2 4Å; I10-F12 HydrophobicContact CG2-CD2 3.84Å; I10-F12 HydrophobicContact CG2-CE1 4.44Å; I10-F12 HydrophobicContact CG2-CE2 3.35Å; I10-F12 HydrophobicContact CG2-CZ 3.71Å; I10-W905 PolarHBondContact N-O 2.79Å; I10-W905 PolarHBondContact O-N 3.32Å; I10-I907 HydrophobicContact CD1-CG1 4.31Å; I10-I972 HydrophobicContact CD1-CD1 4.49Å; I10-V1020 HydrophobicContact CG2-CG1 4.07Å; I10-L1066 HydrophobicContact CD1-CD2 4.05Å; I10-L1066 HydrophobicContact CG2-CD2 4.38Å; I10-S1069 WeakPolarHBondContact CD1-OG 3.38Å |
| 11 | P | 85.3 | Confident | 64.8 | Low | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125 | 167.6 | -5.1 | 21 | 0 | 0 | 0 | 110 | V902 F903 V1020 G1021 I1023 | P11-V902 HydrophobicContact CB-CG1 3.7Å; P11-F903 CarbonylContact C-O 3.59Å; P11-F903 WeakPolarHBondContact CA-O 3.34Å; P11-V1020 CarbonylContact O-C 3.45Å; P11-V1020 WeakPolarHBondContact O-CA 3.33Å; P11-G1021 WeakPolarHBondContact CD-O 3.17Å; P11-G1021 PolarHBondContact O-N 3.08Å; P11-I1023 HydrophobicContact CG-CD1 3.98Å; P11-I1023 HydrophobicContact CG-CG1 3.67Å |
| 12 | F | 89.2 | Confident | 67.8 | Low | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.7 | 164.1 | -73.2 | -82.2 | 0 | 0 | 0 | 109.2 | I10 F903 W905 I968 L971 I1018 V1020 L1066 | I10-F12 HydrophobicContact CB-CD2 4.47Å; I10-F12 HydrophobicContact CB-CE2 4Å; I10-F12 HydrophobicContact CG2-CD2 3.84Å; I10-F12 HydrophobicContact CG2-CE1 4.44Å; I10-F12 HydrophobicContact CG2-CE2 3.35Å; I10-F12 HydrophobicContact CG2-CZ 3.71Å; F12-F903 PolarHBondContact N-O 2.93Å; F12-F903 PolarHBondContact O-N 3.43Å; F12-W905 AromaticContact CD2-CD1 3.63Å; F12-W905 HydrophobicContact CD2-CG 4.31Å; F12-I968 HydrophobicContact CD2-CD1 4.4Å; F12-I968 HydrophobicContact CE2-CD1 3.69Å; F12-I968 HydrophobicContact CZ-CD1 4.46Å; F12-L971 HydrophobicContact CD1-CB 4.34Å; F12-L971 HydrophobicContact CD1-CD1 4.21Å; F12-L971 HydrophobicContact CD1-CD2 4.34Å; F12-L971 HydrophobicContact CD2-CD1 4.04Å; F12-L971 HydrophobicContact CE1-CB 3.77Å; F12-L971 HydrophobicContact CE1-CD1 4.42Å; F12-L971 HydrophobicContact CE1-CD2 4.46Å; F12-L971 HydrophobicContact CE1-CG 4.45Å; F12-L971 HydrophobicContact CE2-CB 4.18Å; F12-L971 HydrophobicContact CE2-CD1 4.24Å; F12-L971 HydrophobicContact CG-CD1 4.01Å; F12-L971 HydrophobicContact CZ-CB 3.67Å; F12-L971 HydrophobicContact CZ-CD1 4.43Å; F12-I1018 HydrophobicContact CD1-CG2 3.66Å; F12-I1018 HydrophobicContact CE1-CG2 3.8Å; F12-V1020 HydrophobicContact CD1-CG2 3.93Å; F12-V1020 HydrophobicContact CE1-CG2 3.82Å; F12-L1066 HydrophobicContact CZ-CD2 3.94Å |
| 13 | V | 86.8 | Confident | 70.8 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.2 | -168 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | W15 A900 V902 C1019 L1031 | V13-W15 HydrophobicContact CG1-CD2 4.03Å; V13-W15 HydrophobicContact CG1-CG 4.27Å; V13-W15 HydrophobicContact CG1-CZ2 4.02Å; V13-A900 HydrophobicContact CG1-CB 4.08Å; V13-V902 HydrophobicContact CG1-CG2 4.24Å; V13-V902 HydrophobicContact CG2-CG1 4.35Å; V13-V902 HydrophobicContact CG2-CG2 4.28Å; V13-C1019 HydrophobicContact CB-CB 3.84Å; V13-C1019 PolarHBondContact N-O 3.47Å; V13-L1031 HydrophobicContact CG2-CB 4.27Å; V13-L1031 HydrophobicContact CG2-CD2 3.95Å; V13-L1031 HydrophobicContact CG2-CG 4.5Å |
| 14 | T | 86.2 | Confident | 73.7 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 109.1 | 165.2 | -48.9 | 0 | 0 | 0 | 0 | 108.8 | I427 I530 A900 F901 | T14-I427 HydrophobicContact CG2-CD1 4.37Å; T14-I530 HydrophobicContact CG2-CD1 4.13Å; T14-I530 HydrophobicContact CG2-CG1 4.44Å; T14-I530 HydrophobicContact CG2-CG2 3.67Å; T14-A900 WeakPolarHBondContact O-CA 3.1Å; T14-F901 PolarHBondContact N-O 3.39Å; T14-F901 PolarHBondContact O-N 2.68Å |
| 15 | W | 84.4 | Confident | 76.4 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.7 | 173 | -63.6 | 99.8 | 0 | 0 | 0 | 110.2 | V13 P20 M61 W419 L424 A900 L1031 S1032 M1033 P1034 | V13-W15 HydrophobicContact CG1-CD2 4.03Å; V13-W15 HydrophobicContact CG1-CG 4.27Å; V13-W15 HydrophobicContact CG1-CZ2 4.02Å; W15-P20 HydrophobicContact CZ3-CG 3.92Å; W15-M61 HydrophobicContact CH2-CB 4.31Å; W15-M61 HydrophobicContact CH2-CE 3.64Å; W15-M61 HydrophobicContact CH2-SD 4.19Å; W15-M61 HydrophobicContact CZ3-CE 4.04Å; W15-W419 HydrophobicContact CB-CZ2 4.12Å; W15-W419 HydrophobicContact CD2-CH2 4.27Å; W15-W419 AromaticContact CD2-CZ2 3.9Å; W15-W419 HydrophobicContact CD2-CZ2 3.9Å; W15-W419 HydrophobicContact CE3-CH2 4.14Å; W15-W419 AromaticContact CE3-CZ2 3.62Å; W15-W419 HydrophobicContact CE3-CZ2 3.62Å; W15-W419 HydrophobicContact CG-CZ2 4.14Å; W15-W419 HydrophobicContact CZ3-CZ2 4.3Å; W15-L424 HydrophobicContact CB-CD1 4.16Å; W15-L424 HydrophobicContact CB-CD2 4.25Å; W15-A900 HydrophobicContact CD2-CB 4.21Å; W15-A900 HydrophobicContact CE3-CB 3.58Å; W15-A900 HydrophobicContact CH2-CB 4.41Å; W15-A900 HydrophobicContact CZ3-CB 3.71Å; W15-L1031 HydrophobicContact CZ2-CB 4.33Å; W15-S1032 PolarHBondContact NE1-O 2.71Å; W15-M1033 HydrophobicContact CH2-SD 3.38Å; W15-M1033 WeakPolarHBondContact CH2-SD 3.4Å; W15-M1033 HydrophobicContact CZ2-CG 4.49Å; W15-M1033 HydrophobicContact CZ2-SD 3.38Å; W15-M1033 WeakPolarHBondContact CZ2-SD 3.24Å; W15-M1033 HydrophobicContact CZ3-SD 4.15Å; W15-P1034 HydrophobicContact CG-CG 4.31Å |
| 16 | A | 78.3 | Confident | 79.1 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 3% | 0.033 | 11% | 0.109 | C | C | . | . | trans | -85.3 | 166.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | T18 W419 P898 A899 F901 | A16-T18 PolarHBondContact O-N 2.94Å; A16-W419 VanDerWaalsContact O-CD1 3.31Å; A16-W419 PolarHBondContact O-NE1 2.99Å; A16-P898 WeakPolarHBondContact CB-O 3.37Å; A16-A899 PolarHBondContact N-O 2.95Å; A16-F901 HydrophobicContact CB-CE2 4.43Å | ||
| 17 | H | 74.3 | Confident | 81.4 | Confident | 70 Ų | 70 | 18.9 Ų | 18.9 | 32% | 0.324 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -57.1 | -24.1 | 175.4 | 75 | -55.6 | 0 | 0 | 0 | 115.1 | N426 | H17-N426 HydrophobicContact CB-CB 4.36Š|
| 18 | T | 73.5 | Confident | 83 | Confident | 22 Ų | 22 | 16.9 Ų | 16.9 | 14% | 0.135 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -89.8 | 127.2 | 171.5 | 45.3 | 0 | 0 | 0 | 0 | 110.6 | A16 W419 | A16-T18 PolarHBondContact O-N 2.94Å; T18-W419 PolarHBondContact O-NE1 3.22Å |
| 19 | P | 78.2 | Confident | 84 | Confident | 17 Ų | 17 | 18 Ų | 18 | 11% | 0.11 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 156.4 | 173.6 | 28.5 | -34.8 | 0 | 0 | 0 | 112.1 | L415 W419 S874 | P19-L415 HydrophobicContact CB-CB 3.73Å; P19-W419 HydrophobicContact CB-CD2 3.83Å; P19-W419 HydrophobicContact CB-CE3 4.36Å; P19-W419 HydrophobicContact CB-CG 3.85Å; P19-W419 HydrophobicContact CG-CG 4.45Å; P19-S874 WeakPolarHBondContact O-CB 3.46Å; P19-S874 PolarHBondContact O-OG 3.08Å |
| 20 | P | 78.5 | Confident | 84.4 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 146.2 | 169.2 | 31 | -33.6 | 0 | 0 | 0 | 110 | W15 M61 L415 A899 M1033 | W15-P20 HydrophobicContact CZ3-CG 3.92Å; P20-M61 HydrophobicContact CB-SD 4.03Å; P20-M61 HydrophobicContact CG-SD 3.89Å; P20-L415 HydrophobicContact CG-CD1 4Å; P20-L415 WeakPolarHBondContact O-CD1 3.22Å; P20-A899 VanDerWaalsContact CA-CB 3.48Å; P20-A899 HydrophobicContact CB-CB 3.75Å; P20-M1033 HydrophobicContact CG-CE 4.46Å |
| 21 | D | 73.2 | Confident | 84.2 | Confident | 40 Ų | 40 | 19.7 Ų | 19.7 | 21% | 0.214 | 10% | 0.103 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 140.8 | 175.3 | -73.3 | -102.7 | 0 | 0 | 0 | 111.2 | S874 R875 | D21-S874 VanDerWaalsContact OD2-CA 3.28Å; D21-S874 WeakPolarHBondContact OD2-CA 3.27Å; D21-S874 VanDerWaalsContact OD2-CB 3.29Å; D21-S874 WeakPolarHBondContact OD2-CB 3.5Å; D21-S874 PolarHBondContact OD2-OG 3.23Å; D21-R875 HydrophobicContact CB-CB 4.26Å; D21-R875 HydrophobicContact CB-CG 4.42Å; D21-R875 WeakPolarHBondContact OD2-CA 3.39Å; D21-R875 PolarHBondContact OD2-N 2.66Å |
| 22 | H | 84.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | trans | -147.9 | 63.9 | -174.4 | -163.5 | 63.5 | 0 | 0 | 0 | 110.8 | I24 T38 S40 N44 I46 G370 L415 | H22-I24 PolarHBondContact O-N 2.92Å; H22-T38 PolarHBondContact CD2-OG1 2.81Å; H22-T38 PolarHBondContact CE1-O 3.3Å; H22-T38 PolarHBondContact NE2-O 3.48Å; H22-T38 PolarHBondContact NE2-OG1 3.46Å; H22-S40 WeakPolarHBondContact ND1-CB 3.45Å; H22-S40 PolarHBondContact ND1-OG 2.79Å; H22-N44 PolarHBondContact CE1-O 3.32Å; H22-I46 HydrophobicContact CB-CD1 3.89Å; H22-I46 VanDerWaalsContact CG-CD1 3.46Å; H22-G370 WeakPolarHBondContact O-CA 3.46Å; H22-L415 HydrophobicContact CB-CD1 3.96Å | ||
| 23 | Q | 85.1 | Confident | 83.2 | Confident | 72 Ų | 72 | 22.4 Ų | 22.4 | 34% | 0.336 | 12% | 0.118 | S | C | . | . | trans | -62.4 | 103.6 | 177.8 | -55.6 | -167.4 | -8 | 0 | 0 | 110 | T25 S40 A41 T368 | Q23-T25 PolarHBondContact O-N 3.3Å; Q23-S40 CarbonylContact O-C 3.52Å; Q23-S40 WeakPolarHBondContact O-CA 3.43Å; Q23-S40 WeakPolarHBondContact O-CB 3.5Å; Q23-A41 HydrophobicContact CB-CB 4.11Å; Q23-A41 PolarHBondContact O-N 3.28Å; Q23-T368 WeakPolarHBondContact CB-O 3.28Å; Q23-T368 VanDerWaalsContact CG-O 3.29Å; Q23-T368 WeakPolarHBondContact CG-O 3.36Å | ||
| 24 | I | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -35.2 | 112.8 | 174.4 | 47.5 | 73.6 | 0 | 0 | 0 | 113.1 | H22 I27 G39 G347 T367 | H22-I24 PolarHBondContact O-N 2.92Å; I24-I27 HydrophobicContact CG2-CD1 4.29Å; I24-I27 HydrophobicContact CG2-CG1 3.91Å; I24-G39 WeakPolarHBondContact CB-O 3.32Å; I24-G347 VanDerWaalsContact O-CA 3.27Å; I24-G347 WeakPolarHBondContact O-CA 3.45Å; I24-T367 WeakPolarHBondContact CA-O 3.45Å; I24-T367 PolarHBondContact N-O 3Å; I24-T367 VanDerWaalsContact N-O 3.14Å |
| 25 | T | 89.5 | Confident | 83 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 17% | 0.172 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | -18.3 | 168.5 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | Q23 G39 S40 A41 L68 V69 | Q23-T25 PolarHBondContact O-N 3.3Å; T25-G39 PolarHBondContact N-O 3Å; T25-G39 PolarHBondContact OG1-O 3.33Å; T25-S40 WeakPolarHBondContact OG1-CA 3.3Å; T25-S40 PolarHBondContact OG1-O 3.34Å; T25-A41 HydrophobicContact CG2-CB 3.85Å; T25-A41 PolarHBondContact OG1-N 3.46Å; T25-L68 HydrophobicContact CG2-CD1 3.8Å; T25-L68 HydrophobicContact CG2-CG 3.93Å; T25-V69 PolarHBondContact OG1-O 2.84Å |
| 26 | S | 91.2 | Very high | 83.3 | Confident | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147.5 | 170.6 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | T38 G39 V69 C348 | S26-T38 CarbonylContact O-C 3.51Å; S26-T38 VanDerWaalsContact O-CA 3.26Å; S26-T38 WeakPolarHBondContact O-CA 3.44Å; S26-G39 PolarHBondContact N-O 2.98Å; S26-G39 VanDerWaalsContact N-O 3.11Å; S26-G39 PolarHBondContact O-N 3.03Å; S26-V69 PolarHBondContact OG-O 2.89Å; S26-C348 WeakPolarHBondContact CA-SG 3.36Å |
| 27 | I | 92.7 | Very high | 84.1 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.6 | 177.1 | -76.3 | 169.5 | 0 | 0 | 0 | 109.4 | I24 V36 A37 T38 C348 T350 L372 | I24-I27 HydrophobicContact CG2-CD1 4.29Å; I24-I27 HydrophobicContact CG2-CG1 3.91Å; I27-V36 HydrophobicContact CG2-CG1 4.11Å; I27-A37 CarbonylContact C-O 3.41Å; I27-A37 WeakPolarHBondContact CA-O 3.3Å; I27-T38 HydrophobicContact CG1-CG2 3.81Å; I27-C348 VanDerWaalsContact CG1-SG 3.53Å; I27-C348 PolarHBondContact N-SG 3.2Å; I27-C348 VanDerWaalsContact N-SG 3.44Å; I27-T350 HydrophobicContact CG2-CG2 4.23Å; I27-L372 HydrophobicContact CD1-CD2 3.84Å; I27-L372 HydrophobicContact CG1-CD2 4.42Å |
| 28 | L | 92.2 | Very high | 85 | Confident | 19 Ų | 19 | 23.4 Ų | 23.4 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140 | 170.7 | -177.1 | 73 | 0 | 0 | 0 | 110.3 | V36 A37 L72 I74 F86 W100 | L28-V36 CarbonylContact O-C 3.49Å; L28-V36 WeakPolarHBondContact O-CA 3.37Å; L28-A37 HydrophobicContact CB-CB 4.42Å; L28-A37 PolarHBondContact N-O 2.87Å; L28-A37 PolarHBondContact O-N 3.47Å; L28-L72 HydrophobicContact CB-CB 3.66Å; L28-L72 HydrophobicContact CB-CD1 4.18Å; L28-L72 HydrophobicContact CD2-CB 4.23Å; L28-L72 HydrophobicContact CG-CB 4.45Å; L28-I74 HydrophobicContact CD1-CG1 4.23Å; L28-I74 HydrophobicContact CD2-CG1 4.35Å; L28-F86 HydrophobicContact CD2-CB 3.65Å; L28-F86 HydrophobicContact CD2-CD2 4.49Å; L28-F86 HydrophobicContact CD2-CG 4.31Å; L28-W100 HydrophobicContact CD2-CH2 4.19Å; L28-W100 HydrophobicContact CD2-CZ2 3.68Å; L28-W100 HydrophobicContact CG-CH2 4.29Å; L28-W100 HydrophobicContact CG-CZ2 4.08Å |
| 29 | L | 88.6 | Confident | 85.9 | Confident | 25 Ų | 25 | 22.4 Ų | 22.4 | 13% | 0.131 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 148.7 | 168.6 | -166.2 | 77.1 | 0 | 0 | 0 | 110.3 | V36 I50 F353 L364 | L29-V36 HydrophobicContact CD1-CG2 3.77Å; L29-I50 HydrophobicContact CD1-CD1 3.84Å; L29-F353 HydrophobicContact CD1-CD2 4.47Å; L29-F353 HydrophobicContact CD1-CE2 4.29Å; L29-F353 HydrophobicContact CD1-CZ 4.4Å; L29-F353 HydrophobicContact CD2-CB 3.55Å; L29-F353 HydrophobicContact CD2-CD1 4.05Å; L29-F353 HydrophobicContact CD2-CD2 3.36Å; L29-F353 HydrophobicContact CD2-CE2 3.99Å; L29-F353 HydrophobicContact CD2-CG 3.38Å; L29-L364 HydrophobicContact CD1-CD1 4.19Å |
| 30 | S | 86.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 4% | 0.035 | 11% | 0.111 | C | C | . | . | trans | -68.8 | 160.8 | 165.6 | 45 | 0 | 0 | 0 | 0 | 111.9 | D32 G33 S35 | S30-D32 WeakPolarHBondContact CB-OD1 3.37Å; S30-D32 PolarHBondContact O-N 2.91Å; S30-D32 PolarHBondContact OG-OD1 3.5Å; S30-G33 PolarHBondContact O-N 2.76Å; S30-S35 PolarHBondContact N-O 2.98Å; S30-S35 WeakPolarHBondContact OG-CA 3.46Å; S30-S35 WeakPolarHBondContact OG-CB 3.48Å; S30-S35 PolarHBondContact OG-N 3.32Å; S30-S35 PolarHBondContact OG-O 3.33Å | ||
| 31 | E | 79.5 | Confident | 86.6 | Confident | 55 Ų | 55 | 22.5 Ų | 22.5 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.5 | -178 | -69.4 | -171.9 | 161.6 | 0 | 0 | 113.4 | I74 S78 P79 R130 | E31-I74 HydrophobicContact CG-CD1 3.76Å; E31-I74 HydrophobicContact CG-CG1 4.41Å; E31-I74 HydrophobicContact CG-CG2 4.17Å; E31-S78 WeakPolarHBondContact OE2-CA 3.46Å; E31-S78 PolarHBondContact OE2-N 3.16Å; E31-P79 HydrophobicContact CB-CB 4.34Å; E31-P79 HydrophobicContact CB-CG 4.41Å; E31-P79 VanDerWaalsContact OE2-CD 3.29Å; E31-P79 WeakPolarHBondContact OE2-CD 3.25Å; E31-R130 IonicContact OE1-CZ 3.24Å; E31-R130 IonicContact OE1-NE 2.72Å; E31-R130 PolarHBondContact OE1-NE 3.28Å; E31-R130 IonicContact OE1-NH2 3.07Å; E31-R130 PolarHBondContact OE1-NH2 2.83Å |
| 32 | D | 76.2 | Confident | 86.5 | Confident | 57 Ų | 57 | 21 Ų | 21 | 31% | 0.305 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.4 | 174.7 | 52 | 43.4 | 0 | 0 | 0 | 113.8 | S30 E34 Q84 P356 | S30-D32 WeakPolarHBondContact CB-OD1 3.37Å; S30-D32 PolarHBondContact O-N 2.91Å; S30-D32 PolarHBondContact OG-OD1 3.5Å; D32-E34 VanDerWaalsContact C-N 3.27Å; D32-E34 PolarHBondContact O-N 2.77Å; D32-E34 WeakPolarHBondContact OD1-CB 3.43Å; D32-E34 PolarHBondContact OD1-N 2.75Å; D32-Q84 PolarHBondContact OD2-NE2 2.73Å; D32-P356 WeakPolarHBondContact O-CG 3.29Å |
| 33 | G | 79.1 | Confident | 86.4 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 74.2 | 6.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S30 I50 | S30-G33 PolarHBondContact O-N 2.76Å; G33-I50 WeakPolarHBondContact O-CD1 3.33Å |
| 34 | E | 80.2 | Confident | 86.5 | Confident | 104 Ų | 104 | 18.4 Ų | 18.4 | 49% | 0.486 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -82.9 | -18.4 | 177.6 | -63.9 | -160.5 | 155.1 | 0 | 0 | 112.9 | D32 S49 I50 | D32-E34 VanDerWaalsContact C-N 3.27Å; D32-E34 PolarHBondContact O-N 2.77Å; D32-E34 WeakPolarHBondContact OD1-CB 3.43Å; D32-E34 PolarHBondContact OD1-N 2.75Å; E34-S49 CarbonylContact O-C 3.58Å; E34-S49 WeakPolarHBondContact O-CA 3.1Å; E34-I50 PolarHBondContact O-N 2.99Å |
| 35 | S | 87.2 | Confident | 86.7 | Confident | 12 Ų | 12 | 18.4 Ų | 18.4 | 8% | 0.084 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.2 | -175.7 | -58.6 | 0 | 0 | 0 | 0 | 114.5 | S30 W48 | S30-S35 PolarHBondContact N-O 2.98Å; S30-S35 WeakPolarHBondContact OG-CA 3.46Å; S30-S35 WeakPolarHBondContact OG-CB 3.48Å; S30-S35 PolarHBondContact OG-N 3.32Å; S30-S35 PolarHBondContact OG-O 3.33Å; S35-W48 CarbonylContact C-O 3.56Å; S35-W48 WeakPolarHBondContact CA-O 3.39Å |
| 36 | V | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.9 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | I27 L28 L29 T38 L47 W48 I50 L364 L372 | I27-V36 HydrophobicContact CG2-CG1 4.11Å; L28-V36 CarbonylContact O-C 3.49Å; L28-V36 WeakPolarHBondContact O-CA 3.37Å; L29-V36 HydrophobicContact CD1-CG2 3.77Å; V36-T38 HydrophobicContact CG1-CG2 3.7Å; V36-L47 CarbonylContact O-C 3.59Å; V36-L47 WeakPolarHBondContact O-CA 3.44Å; V36-W48 HydrophobicContact CB-CB 4.37Å; V36-W48 PolarHBondContact N-O 3.05Å; V36-W48 PolarHBondContact O-N 2.76Å; V36-I50 HydrophobicContact CG2-CD1 3.57Å; V36-I50 HydrophobicContact CG2-CG1 3.98Å; V36-L364 HydrophobicContact CG2-CD1 3.88Å; V36-L372 HydrophobicContact CG1-CD2 4.4Å |
| 37 | A | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | I27 L28 I45 I46 L47 L72 F86 W100 | I27-A37 CarbonylContact C-O 3.41Å; I27-A37 WeakPolarHBondContact CA-O 3.3Å; L28-A37 HydrophobicContact CB-CB 4.42Å; L28-A37 PolarHBondContact N-O 2.87Å; L28-A37 PolarHBondContact O-N 3.47Å; A37-I45 HydrophobicContact CB-CG2 4.36Å; A37-I46 CarbonylContact C-O 3.57Å; A37-I46 WeakPolarHBondContact CA-O 3.49Å; A37-L47 HydrophobicContact CB-CD2 3.52Å; A37-L72 HydrophobicContact CB-CD1 4.17Å; A37-L72 WeakPolarHBondContact O-CD1 3.2Å; A37-F86 HydrophobicContact CB-CD2 4.49Å; A37-F86 HydrophobicContact CB-CE2 4.23Å; A37-F86 HydrophobicContact CB-CZ 4.27Å; A37-W100 HydrophobicContact CB-CH2 3.64Å; A37-W100 HydrophobicContact CB-CZ3 3.68Å |
| 38 | T | 94.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.5 | 175 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | H22 S26 I27 V36 I45 I46 W48 L372 | H22-T38 PolarHBondContact CD2-OG1 2.81Å; H22-T38 PolarHBondContact CE1-O 3.3Å; H22-T38 PolarHBondContact NE2-O 3.48Å; H22-T38 PolarHBondContact NE2-OG1 3.46Å; S26-T38 CarbonylContact O-C 3.51Å; S26-T38 VanDerWaalsContact O-CA 3.26Å; S26-T38 WeakPolarHBondContact O-CA 3.44Å; I27-T38 HydrophobicContact CG1-CG2 3.81Å; V36-T38 HydrophobicContact CG1-CG2 3.7Å; T38-I45 CarbonylContact O-C 3.55Å; T38-I45 VanDerWaalsContact O-CA 3.26Å; T38-I45 WeakPolarHBondContact O-CA 3.45Å; T38-I46 PolarHBondContact N-O 2.97Å; T38-I46 PolarHBondContact O-N 2.86Å; T38-W48 PolarHBondContact OG1-NE1 3.03Å; T38-L372 HydrophobicContact CG2-CD1 3.96Å; T38-L372 HydrophobicContact CG2-CD2 3.93Å; T38-L372 HydrophobicContact CG2-CG 4.17Å |
| 39 | G | 92.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 147.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I24 T25 S26 | I24-G39 WeakPolarHBondContact CB-O 3.32Å; T25-G39 PolarHBondContact N-O 3Å; T25-G39 PolarHBondContact OG1-O 3.33Å; S26-G39 PolarHBondContact N-O 2.98Å; S26-G39 VanDerWaalsContact N-O 3.11Å; S26-G39 PolarHBondContact O-N 3.03Å |
| 40 | S | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 165.4 | -179.1 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | H22 Q23 T25 D42 G43 N44 V69 | H22-S40 WeakPolarHBondContact ND1-CB 3.45Å; H22-S40 PolarHBondContact ND1-OG 2.79Å; Q23-S40 CarbonylContact O-C 3.52Å; Q23-S40 WeakPolarHBondContact O-CA 3.43Å; Q23-S40 WeakPolarHBondContact O-CB 3.5Å; T25-S40 WeakPolarHBondContact OG1-CA 3.3Å; T25-S40 PolarHBondContact OG1-O 3.34Å; S40-D42 PolarHBondContact O-N 3.16Å; S40-D42 VanDerWaalsContact O-N 3.12Å; S40-G43 PolarHBondContact O-N 2.95Å; S40-N44 PolarHBondContact N-O 3.36Å; S40-N44 PolarHBondContact OG-N 3.06Å; S40-N44 PolarHBondContact OG-O 2.88Å; S40-N44 VanDerWaalsContact OG-O 3.05Å; S40-V69 PolarHBondContact O-N 2.67Å |
| 41 | A | 82.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 16.9 Ų | 16.9 | 20% | 0.198 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -27 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q23 T25 L68 | Q23-A41 HydrophobicContact CB-CB 4.11Å; Q23-A41 PolarHBondContact O-N 3.28Å; T25-A41 HydrophobicContact CG2-CB 3.85Å; T25-A41 PolarHBondContact OG1-N 3.46Å; A41-L68 HydrophobicContact CB-CD1 4.18Å; A41-L68 VanDerWaalsContact O-CA 3.29Å; A41-L68 WeakPolarHBondContact O-CA 3.18Å; A41-L68 PolarHBondContact O-N 3.44Å |
| 42 | D | 72.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.043 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5 | -171 | -69.7 | -28.1 | 0 | 0 | 0 | 114.6 | S40 S787 R875 | S40-D42 PolarHBondContact O-N 3.16Å; S40-D42 VanDerWaalsContact O-N 3.12Å; D42-S787 VanDerWaalsContact O-CB 3.25Å; D42-S787 WeakPolarHBondContact O-CB 3.33Å; D42-S787 PolarHBondContact O-OG 3.11Å; D42-S787 VanDerWaalsContact O-OG 3.1Å; D42-S787 WeakPolarHBondContact OD1-CA 3.42Å; D42-S787 VanDerWaalsContact OD1-CB 3.26Å; D42-S787 WeakPolarHBondContact OD1-CB 3.09Å; D42-R875 IonicContact OD1-CZ 2.71Å; D42-R875 IonicContact OD1-NH1 3.65Å; D42-R875 PolarHBondContact OD1-NH1 3.24Å; D42-R875 WeakPolarHBondContact OD2-CD 3.41Å |
| 43 | G | 81.1 | Confident | 84 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 95.7 | -5.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S40 S67 | S40-G43 PolarHBondContact O-N 2.95Å; G43-S67 WeakPolarHBondContact CA-O 3.12Å |
| 44 | N | 88.2 | Confident | 83.2 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 13% | 0.128 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 149.6 | 175.4 | -63.9 | -35.5 | 0 | 0 | 0 | 111 | H22 S40 M61 L62 T63 | H22-N44 PolarHBondContact CE1-O 3.32Å; S40-N44 PolarHBondContact N-O 3.36Å; S40-N44 PolarHBondContact OG-N 3.06Å; S40-N44 PolarHBondContact OG-O 2.88Å; S40-N44 VanDerWaalsContact OG-O 3.05Å; N44-M61 HydrophobicContact CB-CG 4.32Å; N44-M61 HydrophobicContact CB-SD 4.47Å; N44-L62 WeakPolarHBondContact CA-O 3.17Å; N44-T63 WeakPolarHBondContact OD1-CG2 3.37Å |
| 45 | I | 93.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.2 | 170 | -55.6 | 170.3 | 0 | 0 | 0 | 107.7 | A37 T38 M61 L62 V69 L72 F86 S88 W98 | A37-I45 HydrophobicContact CB-CG2 4.36Å; T38-I45 CarbonylContact O-C 3.55Å; T38-I45 VanDerWaalsContact O-CA 3.26Å; T38-I45 WeakPolarHBondContact O-CA 3.45Å; I45-M61 CarbonylContact O-C 3.44Å; I45-M61 WeakPolarHBondContact O-CA 3.24Å; I45-L62 HydrophobicContact CB-CB 4.22Å; I45-L62 HydrophobicContact CB-CD1 4.38Å; I45-L62 HydrophobicContact CB-CG 4.39Å; I45-L62 HydrophobicContact CG2-CD1 4.39Å; I45-L62 PolarHBondContact N-O 2.93Å; I45-L62 PolarHBondContact O-N 3.01Å; I45-V69 HydrophobicContact CD1-CG1 4.31Å; I45-V69 HydrophobicContact CG1-CG1 4.31Å; I45-V69 HydrophobicContact CG1-CG2 4.09Å; I45-L72 HydrophobicContact CD1-CD2 4.21Å; I45-F86 HydrophobicContact CD1-CE2 4.42Å; I45-F86 HydrophobicContact CG2-CE2 4.26Å; I45-F86 HydrophobicContact CG2-CZ 4.34Å; I45-S88 WeakPolarHBondContact CD1-OG 3.3Å; I45-W98 HydrophobicContact CD1-CZ2 4.24Å |
| 46 | I | 93.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.6 | 175 | -61.8 | 178.6 | 0 | 0 | 0 | 109.6 | H22 A37 T38 W48 P58 W60 M61 L415 M1033 | H22-I46 HydrophobicContact CB-CD1 3.89Å; H22-I46 VanDerWaalsContact CG-CD1 3.46Å; A37-I46 CarbonylContact C-O 3.57Å; A37-I46 WeakPolarHBondContact CA-O 3.49Å; T38-I46 PolarHBondContact N-O 2.97Å; T38-I46 PolarHBondContact O-N 2.86Å; I46-W48 HydrophobicContact CB-CZ2 4.39Å; I46-W48 HydrophobicContact CD1-CZ2 4.46Å; I46-W48 HydrophobicContact CG2-CD2 4.06Å; I46-W48 HydrophobicContact CG2-CG 4.26Å; I46-W48 HydrophobicContact CG2-CZ2 3.91Å; I46-W48 VanDerWaalsContact CG2-NE1 3.35Å; I46-P58 HydrophobicContact CG2-CB 4.07Å; I46-W60 CarbonylContact C-O 3.55Å; I46-W60 WeakPolarHBondContact CA-O 3.46Å; I46-M61 HydrophobicContact CG1-CB 4.16Å; I46-M61 HydrophobicContact CG1-CG 3.92Å; I46-L415 HydrophobicContact CD1-CD1 3.68Å; I46-L415 HydrophobicContact CD1-CD2 4.12Å; I46-L415 HydrophobicContact CD1-CG 4.39Å; I46-M1033 HydrophobicContact CD1-CE 4.1Å |
| 47 | L | 93.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.4 | 168.9 | -57.3 | -174.6 | 0 | 0 | 0 | 108.7 | V36 A37 R59 W60 L62 F86 W100 | V36-L47 CarbonylContact O-C 3.59Å; V36-L47 WeakPolarHBondContact O-CA 3.44Å; A37-L47 HydrophobicContact CB-CD2 3.52Å; L47-R59 WeakPolarHBondContact O-CA 3.46Å; L47-R59 WeakPolarHBondContact O-CB 3.37Å; L47-R59 PolarHBondContact O-N 3.46Å; L47-W60 HydrophobicContact CB-CB 4.11Å; L47-W60 HydrophobicContact CD1-CB 4.2Å; L47-W60 HydrophobicContact CD1-CG 4.38Å; L47-W60 HydrophobicContact CG-CB 4.28Å; L47-W60 PolarHBondContact N-O 3.28Å; L47-W60 PolarHBondContact O-N 2.89Å; L47-L62 HydrophobicContact CD1-CD1 4.19Å; L47-L62 HydrophobicContact CD1-CD2 4.37Å; L47-L62 HydrophobicContact CD2-CD1 4.44Å; L47-L62 HydrophobicContact CG-CD1 4.17Å; L47-L62 HydrophobicContact CG-CG 4.42Å; L47-F86 HydrophobicContact CD1-CE1 4.27Å; L47-F86 HydrophobicContact CD2-CE1 3.68Å; L47-F86 HydrophobicContact CD2-CZ 3.71Å; L47-W100 HydrophobicContact CD2-CE3 4.14Å; L47-W100 HydrophobicContact CD2-CZ3 4.18Å |
| 48 | W | 89.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.9 | 177.4 | -49.9 | 74.7 | 0 | 0 | 0 | 109.1 | S35 V36 T38 I46 C56 A57 P58 L372 L415 | S35-W48 CarbonylContact C-O 3.56Å; S35-W48 WeakPolarHBondContact CA-O 3.39Å; V36-W48 HydrophobicContact CB-CB 4.37Å; V36-W48 PolarHBondContact N-O 3.05Å; V36-W48 PolarHBondContact O-N 2.76Å; T38-W48 PolarHBondContact OG1-NE1 3.03Å; I46-W48 HydrophobicContact CB-CZ2 4.39Å; I46-W48 HydrophobicContact CD1-CZ2 4.46Å; I46-W48 HydrophobicContact CG2-CD2 4.06Å; I46-W48 HydrophobicContact CG2-CG 4.26Å; I46-W48 HydrophobicContact CG2-CZ2 3.91Å; I46-W48 VanDerWaalsContact CG2-NE1 3.35Å; W48-C56 HydrophobicContact CB-CB 4.49Å; W48-C56 HydrophobicContact CE3-CB 4.05Å; W48-A57 CarbonylContact C-O 3.53Å; W48-A57 WeakPolarHBondContact CA-O 3.27Å; W48-P58 HydrophobicContact CD2-CB 4.33Å; W48-P58 HydrophobicContact CE3-CB 3.89Å; W48-P58 HydrophobicContact CE3-CG 4.37Å; W48-P58 HydrophobicContact CH2-CB 4.5Å; W48-P58 HydrophobicContact CZ3-CB 3.99Å; W48-P58 HydrophobicContact CZ3-CG 4.17Å; W48-L372 HydrophobicContact CD2-CD1 3.61Å; W48-L372 HydrophobicContact CE3-CD1 4.19Å; W48-L372 HydrophobicContact CG-CD1 3.76Å; W48-L372 HydrophobicContact CZ2-CD1 4.12Å; W48-L415 HydrophobicContact CH2-CD2 3.56Å; W48-L415 HydrophobicContact CH2-CG 3.93Å; W48-L415 HydrophobicContact CZ2-CD2 4.12Å; W48-L415 HydrophobicContact CZ2-CG 4.44Å; W48-L415 HydrophobicContact CZ3-CD2 4.19Å |
| 49 | S | 86.2 | Confident | 81.6 | Confident | 26 Ų | 26 | 24 Ų | 24 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.4 | 168.1 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | E34 C56 A57 | E34-S49 CarbonylContact O-C 3.58Å; E34-S49 WeakPolarHBondContact O-CA 3.1Å; S49-C56 WeakPolarHBondContact O-CA 3.39Å; S49-A57 PolarHBondContact N-O 2.91Å; S49-A57 PolarHBondContact O-N 2.67Å |
| 50 | I | 80.5 | Confident | 81.6 | Confident | 17 Ų | 17 | 24.1 Ų | 24.1 | 9% | 0.087 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118 | 174.9 | -63.4 | 166.6 | 0 | 0 | 0 | 108.4 | L29 G33 E34 V36 F353 | L29-I50 HydrophobicContact CD1-CD1 3.84Å; G33-I50 WeakPolarHBondContact O-CD1 3.33Å; E34-I50 PolarHBondContact O-N 2.99Å; V36-I50 HydrophobicContact CG2-CD1 3.57Å; V36-I50 HydrophobicContact CG2-CG1 3.98Å; I50-F353 HydrophobicContact CD1-CZ 4.4Å |
| 51 | G | 70.9 | Confident | 81.7 | Confident | 21 Ų | 21 | 24.1 Ų | 24.1 | 22% | 0.216 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 158.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | S53 C54 S55 | G51-S53 PolarHBondContact O-N 3.47Å; G51-C54 PolarHBondContact O-N 2.81Å; G51-S55 PolarHBondContact N-O 3.03Å |
| 52 | N | 63.2 | Low | 82.2 | Confident | 131 Ų | 131 | 23 Ų | 23 | 70% | 0.701 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -16.2 | -173.7 | -61 | 26 | 0 | 0 | 0 | 116.5 | ||
| 53 | S | 62.3 | Low | 82.7 | Confident | 99 Ų | 99 | 22.8 Ų | 22.8 | 69% | 0.692 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 23.3 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | G51 S55 | G51-S53 PolarHBondContact O-N 3.47Å; S53-S55 VanDerWaalsContact C-N 3.3Å; S53-S55 PolarHBondContact O-N 3.45Å |
| 54 | C | 63.1 | Low | 82.3 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 12% | 0.122 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 46.5 | -168.9 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | G51 Y362 M411 | G51-C54 PolarHBondContact O-N 2.81Å; C54-Y362 VanDerWaalsContact SG-CE1 3.52Å; C54-Y362 VanDerWaalsContact SG-CZ 3.57Å; C54-Y362 PolarHBondContact SG-OH 3.09Å; C54-M411 HydrophobicContact CB-CB 4.38Å; C54-M411 WeakPolarHBondContact O-CG 3.42Å |
| 55 | S | 72.5 | Confident | 81.7 | Confident | 59 Ų | 59 | 21.9 Ų | 21.9 | 41% | 0.413 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.1 | 171.6 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | G51 S53 | G51-S55 PolarHBondContact N-O 3.03Å; S53-S55 VanDerWaalsContact C-N 3.3Å; S53-S55 PolarHBondContact O-N 3.45Å |
| 56 | C | 80 | Confident | 80.6 | Confident | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.3 | 175.3 | -82 | 0 | 0 | 0 | 0 | 111.3 | W48 S49 M411 | W48-C56 HydrophobicContact CB-CB 4.49Å; W48-C56 HydrophobicContact CE3-CB 4.05Å; S49-C56 WeakPolarHBondContact O-CA 3.39Å; C56-M411 HydrophobicContact CB-SD 4.05Å |
| 57 | A | 84.1 | Confident | 79.5 | Confident | 28 Ų | 28 | 25 Ų | 25 | 23% | 0.231 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | W48 S49 R59 | W48-A57 CarbonylContact C-O 3.53Å; W48-A57 WeakPolarHBondContact CA-O 3.27Å; S49-A57 PolarHBondContact N-O 2.91Å; S49-A57 PolarHBondContact O-N 2.67Å; A57-R59 PolarHBondContact O-N 3.42Å |
| 58 | P | 88.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 132.3 | 176.6 | 29.7 | -34 | 0 | 0 | 0 | 109.8 | I46 W48 L415 V418 M1033 Y1036 | I46-P58 HydrophobicContact CG2-CB 4.07Å; W48-P58 HydrophobicContact CD2-CB 4.33Å; W48-P58 HydrophobicContact CE3-CB 3.89Å; W48-P58 HydrophobicContact CE3-CG 4.37Å; W48-P58 HydrophobicContact CH2-CB 4.5Å; W48-P58 HydrophobicContact CZ3-CB 3.99Å; W48-P58 HydrophobicContact CZ3-CG 4.17Å; P58-L415 HydrophobicContact CB-CD2 4.09Å; P58-L415 HydrophobicContact CG-CD2 4.1Å; P58-V418 HydrophobicContact CG-CG1 3.97Å; P58-V418 HydrophobicContact CG-CG2 4.33Å; P58-M1033 HydrophobicContact CB-CB 3.91Å; P58-M1033 HydrophobicContact CB-CE 3.96Å; P58-M1033 HydrophobicContact CB-CG 4.1Å; P58-M1033 HydrophobicContact CG-CB 4.27Å; P58-M1033 HydrophobicContact CG-CE 4.43Å; P58-M1033 WeakPolarHBondContact O-CB 3.48Å; P58-Y1036 WeakPolarHBondContact O-CB 3.27Å |
| 59 | R | 88.7 | Confident | 79.2 | Confident | 37 Ų | 37 | 27.6 Ų | 27.6 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -48.5 | -175.1 | -178.6 | -174.7 | 177.5 | 174.2 | 2 | 112 | L47 A57 N101 S1032 M1033 Y1036 | L47-R59 WeakPolarHBondContact O-CA 3.46Å; L47-R59 WeakPolarHBondContact O-CB 3.37Å; L47-R59 PolarHBondContact O-N 3.46Å; A57-R59 PolarHBondContact O-N 3.42Å; R59-N101 VanDerWaalsContact CZ-O 3.22Å; R59-N101 PolarHBondContact NE-O 3.3Å; R59-N101 PolarHBondContact NH2-O 3.31Å; R59-S1032 WeakPolarHBondContact O-CA 3.28Å; R59-M1033 PolarHBondContact O-N 2.73Å; R59-Y1036 HydrophobicContact CB-CD1 4.49Å; R59-Y1036 HydrophobicContact CB-CD2 3.81Å; R59-Y1036 HydrophobicContact CB-CE2 4.26Å; R59-Y1036 HydrophobicContact CB-CG 3.94Å; R59-Y1036 HydrophobicContact CG-CD1 3.8Å; R59-Y1036 HydrophobicContact CG-CD2 3.82Å; R59-Y1036 HydrophobicContact CG-CE1 3.92Å; R59-Y1036 HydrophobicContact CG-CE2 3.95Å; R59-Y1036 HydrophobicContact CG-CG 3.75Å |
| 60 | W | 91 | Very high | 79.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.3 | 178.5 | -61.1 | 105.8 | 0 | 0 | 0 | 111 | I46 L47 L62 N101 D102 L1031 L1058 I1062 | I46-W60 CarbonylContact C-O 3.55Å; I46-W60 WeakPolarHBondContact CA-O 3.46Å; L47-W60 HydrophobicContact CB-CB 4.11Å; L47-W60 HydrophobicContact CD1-CB 4.2Å; L47-W60 HydrophobicContact CD1-CG 4.38Å; L47-W60 HydrophobicContact CG-CB 4.28Å; L47-W60 PolarHBondContact N-O 3.28Å; L47-W60 PolarHBondContact O-N 2.89Å; W60-L62 HydrophobicContact CB-CD2 3.69Å; W60-N101 PolarHBondContact NE1-O 3.1Å; W60-D102 HydrophobicContact CZ2-CB 4.23Å; W60-L1031 CarbonylContact C-O 3.58Å; W60-L1031 WeakPolarHBondContact CA-O 3.06Å; W60-L1031 VanDerWaalsContact CE3-C 3.44Å; W60-L1058 HydrophobicContact CH2-CB 3.94Å; W60-L1058 HydrophobicContact CH2-CD1 4.42Å; W60-L1058 HydrophobicContact CZ2-CB 4.05Å; W60-I1062 HydrophobicContact CH2-CD1 3.67Å; W60-I1062 HydrophobicContact CZ3-CD1 4.29Å |
| 61 | M | 91.2 | Very high | 80 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.7 | 159 | -175 | 177.1 | 81.7 | 0 | 0 | 109.1 | W15 P20 N44 I45 I46 T63 I872 L1031 M1033 | W15-M61 HydrophobicContact CH2-CB 4.31Å; W15-M61 HydrophobicContact CH2-CE 3.64Å; W15-M61 HydrophobicContact CH2-SD 4.19Å; W15-M61 HydrophobicContact CZ3-CE 4.04Å; P20-M61 HydrophobicContact CB-SD 4.03Å; P20-M61 HydrophobicContact CG-SD 3.89Å; N44-M61 HydrophobicContact CB-CG 4.32Å; N44-M61 HydrophobicContact CB-SD 4.47Å; I45-M61 CarbonylContact O-C 3.44Å; I45-M61 WeakPolarHBondContact O-CA 3.24Å; I46-M61 HydrophobicContact CG1-CB 4.16Å; I46-M61 HydrophobicContact CG1-CG 3.92Å; M61-T63 HydrophobicContact CE-CG2 3.8Å; M61-T63 HydrophobicContact CG-CG2 4.42Å; M61-I872 HydrophobicContact CE-CD1 3.44Å; M61-I872 VanDerWaalsContact CE-CD1 3.44Å; M61-I872 HydrophobicContact CE-CG2 3.84Å; M61-L1031 PolarHBondContact N-O 2.85Å; M61-L1031 PolarHBondContact O-N 3.03Å; M61-M1033 HydrophobicContact CB-CE 4.5Å; M61-M1033 HydrophobicContact CB-CG 4.27Å; M61-M1033 HydrophobicContact CB-SD 3.66Å |
| 62 | L | 91.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.8 | -176.3 | -37 | -175.8 | 0 | 0 | 0 | 108.1 | N44 I45 L47 W60 F86 W98 G103 M1029 | N44-L62 WeakPolarHBondContact CA-O 3.17Å; I45-L62 HydrophobicContact CB-CB 4.22Å; I45-L62 HydrophobicContact CB-CD1 4.38Å; I45-L62 HydrophobicContact CB-CG 4.39Å; I45-L62 HydrophobicContact CG2-CD1 4.39Å; I45-L62 PolarHBondContact N-O 2.93Å; I45-L62 PolarHBondContact O-N 3.01Å; L47-L62 HydrophobicContact CD1-CD1 4.19Å; L47-L62 HydrophobicContact CD1-CD2 4.37Å; L47-L62 HydrophobicContact CD2-CD1 4.44Å; L47-L62 HydrophobicContact CG-CD1 4.17Å; L47-L62 HydrophobicContact CG-CG 4.42Å; W60-L62 HydrophobicContact CB-CD2 3.69Å; L62-F86 HydrophobicContact CD1-CE1 4.43Å; L62-F86 HydrophobicContact CD1-CZ 3.71Å; L62-W98 HydrophobicContact CB-CE3 4.17Å; L62-W98 HydrophobicContact CB-CH2 4.05Å; L62-W98 HydrophobicContact CB-CZ3 3.78Å; L62-W98 HydrophobicContact CD1-CB 4.35Å; L62-W98 HydrophobicContact CD1-CD2 3.89Å; L62-W98 HydrophobicContact CD1-CE3 3.77Å; L62-W98 HydrophobicContact CD1-CG 4.17Å; L62-W98 HydrophobicContact CD1-CZ3 4.27Å; L62-G103 VanDerWaalsContact CD2-CA 3.48Å; L62-G103 WeakPolarHBondContact CD2-O 3.45Å; L62-M1029 WeakPolarHBondContact CA-O 3.39Å |
| 63 | T | 83.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119 | -176 | 68.2 | 0 | 0 | 0 | 0 | 108.1 | N44 M61 I872 C1028 M1029 L1031 | N44-T63 WeakPolarHBondContact OD1-CG2 3.37Å; M61-T63 HydrophobicContact CE-CG2 3.8Å; M61-T63 HydrophobicContact CG-CG2 4.42Å; T63-I872 HydrophobicContact CG2-CD1 4.37Å; T63-C1028 CarbonylContact O-C 3.6Å; T63-C1028 WeakPolarHBondContact O-CA 3.37Å; T63-M1029 PolarHBondContact N-O 3.26Å; T63-M1029 PolarHBondContact O-N 3.43Å; T63-M1029 WeakPolarHBondContact OG1-CE 3.37Å; T63-L1031 HydrophobicContact CG2-CD1 4.44Å |
| 64 | G | 73 | Confident | 83.9 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -175.8 | -37.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | S837 | G64-S837 WeakPolarHBondContact CA-OG 3.45Å; G64-S837 WeakPolarHBondContact O-CB 3.35Å; G64-S837 PolarHBondContact O-OG 3.28Å | ||
| 65 | H | 75.3 | Confident | 85 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | trans | -74.2 | 148.1 | 165.4 | -65.5 | -89.3 | 0 | 0 | 0 | 109.5 | V69 S88 S90 E94 W98 | H65-V69 HydrophobicContact CB-CG2 4.24Å; H65-S88 PolarHBondContact NE2-OG 2.85Å; H65-S90 PolarHBondContact ND1-OG 2.87Å; H65-E94 PolarHBondContact CE1-O 3.1Å; H65-E94 PolarHBondContact ND1-O 2.91Å; H65-W98 AromaticContact CD2-CZ2 3.98Å | ||
| 66 | K | 69.6 | Low | 85 | Confident | 34 Ų | 34 | 15.2 Ų | 15.2 | 15% | 0.148 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -105.5 | 12 | 178.7 | -52 | 177.8 | -159.2 | 119.4 | 0 | 112.7 | E94 H785 T834 S837 | K66-E94 WeakPolarHBondContact CE-OE1 3.42Å; K66-E94 PolarHBondContact N-OE2 3.39Å; K66-E94 IonicContact NZ-OE1 3.56Å; K66-E94 PolarHBondContact NZ-OE1 3.11Å; K66-H785 PolarHBondContact O-CE1 2.93Å; K66-H785 PolarHBondContact O-NE2 3.25Å; K66-T834 WeakPolarHBondContact CB-O 3.46Å; K66-T834 WeakPolarHBondContact CD-O 3.32Å; K66-S837 WeakPolarHBondContact CE-O 3.38Å |
| 67 | S | 70.4 | Confident | 84.5 | Confident | 32 Ų | 32 | 19.5 Ų | 19.5 | 22% | 0.224 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -160 | 168 | -174.3 | -158.3 | 0 | 0 | 0 | 0 | 111 | G43 V69 S90 I91 | G43-S67 WeakPolarHBondContact CA-O 3.12Å; S67-V69 PolarHBondContact O-N 2.8Å; S67-S90 WeakPolarHBondContact O-CB 3.46Å; S67-I91 WeakPolarHBondContact OG-CG2 3.31Å |
| 68 | L | 86.3 | Confident | 83.3 | Confident | 57 Ų | 57 | 20.8 Ų | 20.8 | 30% | 0.298 | 11% | 0.11 | S | C | . | . | trans | -44.1 | 119.8 | -178.1 | -179.6 | 150.2 | 0 | 0 | 0 | 112.3 | T25 A41 S70 S90 I91 | T25-L68 HydrophobicContact CG2-CD1 3.8Å; T25-L68 HydrophobicContact CG2-CG 3.93Å; A41-L68 HydrophobicContact CB-CD1 4.18Å; A41-L68 VanDerWaalsContact O-CA 3.29Å; A41-L68 WeakPolarHBondContact O-CA 3.18Å; A41-L68 PolarHBondContact O-N 3.44Å; L68-S70 PolarHBondContact O-N 2.77Å; L68-S90 WeakPolarHBondContact O-CA 3.41Å; L68-S90 WeakPolarHBondContact O-CB 3.44Å; L68-I91 HydrophobicContact CB-CG2 4.15Å; L68-I91 PolarHBondContact O-N 3.02Å; L68-I91 VanDerWaalsContact O-N 3.1Å | ||
| 69 | V | 91 | Very high | 81.5 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 99 | 177 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | T25 S26 S40 I45 H65 S67 L72 Y89 | T25-V69 PolarHBondContact OG1-O 2.84Å; S26-V69 PolarHBondContact OG-O 2.89Å; S40-V69 PolarHBondContact O-N 2.67Å; I45-V69 HydrophobicContact CD1-CG1 4.31Å; I45-V69 HydrophobicContact CG1-CG1 4.31Å; I45-V69 HydrophobicContact CG1-CG2 4.09Å; H65-V69 HydrophobicContact CB-CG2 4.24Å; S67-V69 PolarHBondContact O-N 2.8Å; V69-L72 HydrophobicContact CG1-CD2 4.13Å; V69-L72 HydrophobicContact CG1-CG 4.4Å; V69-Y89 CarbonylContact C-O 3.6Å; V69-Y89 WeakPolarHBondContact CA-O 3.23Å |
| 70 | S | 90.4 | Very high | 79.6 | Confident | 35 Ų | 35 | 29.4 Ų | 29.4 | 25% | 0.245 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -26.8 | -171.5 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | L68 Y89 | L68-S70 PolarHBondContact O-N 2.77Å; S70-Y89 PolarHBondContact N-O 2.95Å; S70-Y89 WeakPolarHBondContact OG-CD1 3.5Å |
| 71 | N | 92.6 | Very high | 77.8 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.7 | -178.4 | -72.7 | -106.3 | 0 | 0 | 0 | 110.9 | S88 Y89 T117 I119 | N71-S88 WeakPolarHBondContact O-CA 3.43Å; N71-Y89 PolarHBondContact N-O 3.46Å; N71-Y89 PolarHBondContact O-N 3.14Å; N71-T117 PolarHBondContact ND2-O 2.95Å; N71-I119 HydrophobicContact CB-CB 4.16Å; N71-I119 HydrophobicContact CB-CD1 4.37Å; N71-I119 HydrophobicContact CB-CG1 4.39Å; N71-I119 PolarHBondContact OD1-N 3.18Å |
| 72 | L | 94.4 | Very high | 75.9 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.7 | 168.4 | -69.9 | 174 | 0 | 0 | 0 | 108.8 | L28 A37 I45 V69 F86 F87 S88 | L28-L72 HydrophobicContact CB-CB 3.66Å; L28-L72 HydrophobicContact CB-CD1 4.18Å; L28-L72 HydrophobicContact CD2-CB 4.23Å; L28-L72 HydrophobicContact CG-CB 4.45Å; A37-L72 HydrophobicContact CB-CD1 4.17Å; A37-L72 WeakPolarHBondContact O-CD1 3.2Å; I45-L72 HydrophobicContact CD1-CD2 4.21Å; V69-L72 HydrophobicContact CG1-CD2 4.13Å; V69-L72 HydrophobicContact CG1-CG 4.4Å; L72-F86 HydrophobicContact CD2-CD2 4.14Å; L72-F86 HydrophobicContact CD2-CE2 4.09Å; L72-F87 WeakPolarHBondContact CA-O 3.42Å; L72-S88 VanDerWaalsContact CD2-CB 3.45Å |
| 73 | C | 92.6 | Very high | 74.3 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 8% | 0.081 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 150.2 | -177.6 | -98.8 | 0 | 0 | 0 | 0 | 112.4 | F86 F87 I119 S121 L132 | C73-F86 CarbonylContact O-C 3.57Å; C73-F86 WeakPolarHBondContact O-CA 3.42Å; C73-F86 WeakPolarHBondContact O-CB 3.44Å; C73-F87 HydrophobicContact CB-CB 4.38Å; C73-F87 HydrophobicContact CB-CD1 4.1Å; C73-F87 PolarHBondContact N-O 2.82Å; C73-F87 PolarHBondContact O-N 3.23Å; C73-I119 PolarHBondContact SG-O 2.86Å; C73-S121 PolarHBondContact SG-N 3.04Å; C73-L132 HydrophobicContact CB-CD2 3.82Å |
| 74 | I | 90.9 | Very high | 74 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 138.3 | 172.5 | -62.5 | 152.3 | 0 | 0 | 0 | 109.7 | L28 E31 S121 R130 | L28-I74 HydrophobicContact CD1-CG1 4.23Å; L28-I74 HydrophobicContact CD2-CG1 4.35Å; E31-I74 HydrophobicContact CG-CD1 3.76Å; E31-I74 HydrophobicContact CG-CG1 4.41Å; E31-I74 HydrophobicContact CG-CG2 4.17Å; I74-S121 VanDerWaalsContact O-CB 3.24Å; I74-S121 WeakPolarHBondContact O-CB 3.38Å; I74-S121 PolarHBondContact O-OG 2.86Å; I74-R130 WeakPolarHBondContact O-CD 3.29Å |
| 75 | A | 87.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -120.5 | -21.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F85 F87 V97 A146 T147 Y1365 | A75-F85 HydrophobicContact CB-CB 4.15Å; A75-F85 PolarHBondContact N-O 2.8Å; A75-F87 HydrophobicContact CB-CB 4.26Å; A75-V97 HydrophobicContact CB-CG1 4.32Å; A75-A146 HydrophobicContact CB-CB 4.02Å; A75-T147 HydrophobicContact CB-CG2 4.13Å; A75-Y1365 PolarHBondContact O-OH 2.97Å | ||
| 76 | G | 72.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -76.5 | 170.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F85 R130 | G76-F85 PolarHBondContact N-O 3.25Å; G76-R130 WeakPolarHBondContact O-CD 3.19Å; G76-R130 PolarHBondContact O-NE 2.93Å; G76-R130 VanDerWaalsContact O-NE 3.1Å |
| 77 | R | 68.6 | Low | 76.6 | Confident | 100 Ų | 100 | 41 Ų | 41 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | trans | -94 | 161.3 | 172.4 | -158.7 | -179.4 | -172.9 | 168.4 | 1.7 | 109.9 | T81 D128 | R77-T81 PolarHBondContact O-OG1 3.4Å; R77-D128 WeakPolarHBondContact CD-O 3.13Å; R77-D128 IonicContact CZ-OD1 3.93Å; R77-D128 PolarHBondContact NH1-O 3.05Å; R77-D128 IonicContact NH1-OD1 3.75Å; R77-D128 PolarHBondContact NH1-OD1 2.89Å; R77-D128 IonicContact NH2-OD1 2.91Å; R77-D128 PolarHBondContact NH2-OD1 3.02Å | ||
| 78 | S | 58.6 | Low | 77.8 | Confident | 56 Ų | 56 | 39.5 Ų | 39.5 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | trans | -8.1 | 134.4 | 168.1 | -173.1 | 0 | 0 | 0 | 0 | 116.3 | E31 I80 T81 | E31-S78 WeakPolarHBondContact OE2-CA 3.46Å; E31-S78 PolarHBondContact OE2-N 3.16Å; S78-I80 PolarHBondContact O-N 3.18Å; S78-T81 PolarHBondContact O-N 3.39Å; S78-T81 VanDerWaalsContact O-N 3.13Å; S78-T81 PolarHBondContact O-OG1 3.18Å | ||
| 79 | P | 51.4 | Low | 78.2 | Confident | 63 Ų | 63 | 36.8 Ų | 36.8 | 41% | 0.409 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -8.8 | -165.1 | 25 | -36.3 | 0 | 0 | 0 | 116 | E31 T81 | E31-P79 HydrophobicContact CB-CB 4.34Å; E31-P79 HydrophobicContact CB-CG 4.41Å; E31-P79 VanDerWaalsContact OE2-CD 3.29Å; E31-P79 WeakPolarHBondContact OE2-CD 3.25Å; P79-T81 PolarHBondContact O-N 2.9Å |
| 80 | I | 49.4 | Very low | 78.2 | Confident | 155 Ų | 155 | 36.8 Ų | 36.8 | 80% | 0.795 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.3 | 172.2 | -55.5 | 172.9 | 0 | 0 | 0 | 111.4 | S78 | S78-I80 PolarHBondContact O-N 3.18Š|
| 81 | T | 51.8 | Low | 77.9 | Confident | 61 Ų | 61 | 38.1 Ų | 38.1 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -90 | 117.2 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | R77 S78 P79 N83 | R77-T81 PolarHBondContact O-OG1 3.4Å; S78-T81 PolarHBondContact O-N 3.39Å; S78-T81 VanDerWaalsContact O-N 3.13Å; S78-T81 PolarHBondContact O-OG1 3.18Å; P79-T81 PolarHBondContact O-N 2.9Å; T81-N83 PolarHBondContact O-N 3.06Å |
| 82 | K | 51.4 | Low | 77 | Confident | 132 Ų | 132 | 38 Ų | 38 | 57% | 0.574 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -56.1 | -15.4 | -178.5 | -66.7 | -174 | 176.3 | -178 | 0 | 115.7 | Q84 N101 S1346 | K82-Q84 PolarHBondContact O-N 2.83Å; K82-N101 PolarHBondContact O-ND2 3.42Å; K82-S1346 PolarHBondContact NZ-OG 2.87Å |
| 83 | N | 58.2 | Low | 76.5 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | trans | -93.7 | 73 | 176.7 | -77.9 | -23.6 | 0 | 0 | 0 | 111.2 | T81 F85 | T81-N83 PolarHBondContact O-N 3.06Å; N83-F85 HydrophobicContact CB-CE1 4.16Å; N83-F85 HydrophobicContact CB-CE2 4.38Å; N83-F85 HydrophobicContact CB-CZ 3.75Å | ||
| 84 | Q | 76.9 | Confident | 76.2 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | trans | -77.2 | 138.9 | 169.2 | -64.3 | -176.7 | 32.8 | 0 | 0 | 110.8 | D32 K82 N99 W100 | D32-Q84 PolarHBondContact OD2-NE2 2.73Å; K82-Q84 PolarHBondContact O-N 2.83Å; Q84-N99 PolarHBondContact O-OD1 2.86Å; Q84-W100 HydrophobicContact CB-CB 4.47Å; Q84-W100 HydrophobicContact CB-CG 4.33Å; Q84-W100 PolarHBondContact O-N 3.21Å | ||
| 85 | F | 87 | Confident | 76.3 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.4 | 176.9 | -50.4 | -52.8 | 0 | 0 | 0 | 111.4 | A75 G76 N83 V97 W98 N99 L106 T147 | A75-F85 HydrophobicContact CB-CB 4.15Å; A75-F85 PolarHBondContact N-O 2.8Å; G76-F85 PolarHBondContact N-O 3.25Å; N83-F85 HydrophobicContact CB-CE1 4.16Å; N83-F85 HydrophobicContact CB-CE2 4.38Å; N83-F85 HydrophobicContact CB-CZ 3.75Å; F85-V97 HydrophobicContact CB-CG1 4.31Å; F85-W98 CarbonylContact C-O 3.57Å; F85-W98 VanDerWaalsContact CA-O 3.24Å; F85-W98 WeakPolarHBondContact CA-O 3.38Å; F85-N99 HydrophobicContact CD1-CB 4.43Å; F85-L106 HydrophobicContact CD1-CD1 3.48Å; F85-L106 VanDerWaalsContact CD1-CD1 3.48Å; F85-L106 HydrophobicContact CE1-CD1 3.44Å; F85-L106 VanDerWaalsContact CE1-CD1 3.44Å; F85-L106 HydrophobicContact CG-CD1 4.11Å; F85-L106 HydrophobicContact CZ-CD1 4.01Å; F85-T147 HydrophobicContact CD2-CG2 3.99Å |
| 86 | F | 92.8 | Very high | 76.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 158.5 | 167.1 | 71.7 | -85.7 | 0 | 0 | 0 | 111.8 | L28 A37 I45 L47 L62 L72 C73 V97 W98 W100 | L28-F86 HydrophobicContact CD2-CB 3.65Å; L28-F86 HydrophobicContact CD2-CD2 4.49Å; L28-F86 HydrophobicContact CD2-CG 4.31Å; A37-F86 HydrophobicContact CB-CD2 4.49Å; A37-F86 HydrophobicContact CB-CE2 4.23Å; A37-F86 HydrophobicContact CB-CZ 4.27Å; I45-F86 HydrophobicContact CD1-CE2 4.42Å; I45-F86 HydrophobicContact CG2-CE2 4.26Å; I45-F86 HydrophobicContact CG2-CZ 4.34Å; L47-F86 HydrophobicContact CD1-CE1 4.27Å; L47-F86 HydrophobicContact CD2-CE1 3.68Å; L47-F86 HydrophobicContact CD2-CZ 3.71Å; L62-F86 HydrophobicContact CD1-CE1 4.43Å; L62-F86 HydrophobicContact CD1-CZ 3.71Å; L72-F86 HydrophobicContact CD2-CD2 4.14Å; L72-F86 HydrophobicContact CD2-CE2 4.09Å; C73-F86 CarbonylContact O-C 3.57Å; C73-F86 WeakPolarHBondContact O-CA 3.42Å; C73-F86 WeakPolarHBondContact O-CB 3.44Å; F86-V97 CarbonylContact O-C 3.54Å; F86-V97 WeakPolarHBondContact O-CA 3.15Å; F86-W98 HydrophobicContact CD1-CB 4.15Å; F86-W98 HydrophobicContact CE1-CB 3.61Å; F86-W98 HydrophobicContact CE1-CG 4.35Å; F86-W98 HydrophobicContact CE2-CB 4.08Å; F86-W98 AromaticContact CE2-CD1 3.51Å; F86-W98 AromaticContact CE2-CG 3.98Å; F86-W98 HydrophobicContact CE2-CG 3.98Å; F86-W98 HydrophobicContact CZ-CB 3.57Å; F86-W98 AromaticContact CZ-CD1 3.83Å; F86-W98 AromaticContact CZ-CG 3.81Å; F86-W98 HydrophobicContact CZ-CG 3.81Å; F86-W98 PolarHBondContact N-O 3.32Å; F86-W98 PolarHBondContact O-N 2.8Å; F86-W100 HydrophobicContact CB-CZ2 4.02Å; F86-W100 AromaticContact CD1-CD1 3.99Å; F86-W100 AromaticContact CD1-CD2 3.73Å; F86-W100 HydrophobicContact CD1-CD2 3.73Å; F86-W100 AromaticContact CD1-CE2 3.69Å; F86-W100 HydrophobicContact CD1-CE3 4.27Å; F86-W100 AromaticContact CD1-CG 3.97Å; F86-W100 HydrophobicContact CD1-CG 3.97Å; F86-W100 HydrophobicContact CD1-CZ2 4.22Å; F86-W100 AromaticContact CD1-NE1 3.84Å; F86-W100 HydrophobicContact CE1-CD2 4.31Å; F86-W100 HydrophobicContact CE1-CE3 4.49Å; F86-W100 HydrophobicContact CG-CZ2 4.29Å |
| 87 | F | 94.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.3 | 177.4 | 166.3 | -93.1 | 0 | 0 | 0 | 109.8 | L72 C73 A75 M95 A96 V97 I119 L132 L149 | L72-F87 WeakPolarHBondContact CA-O 3.42Å; C73-F87 HydrophobicContact CB-CB 4.38Å; C73-F87 HydrophobicContact CB-CD1 4.1Å; C73-F87 PolarHBondContact N-O 2.82Å; C73-F87 PolarHBondContact O-N 3.23Å; A75-F87 HydrophobicContact CB-CB 4.26Å; F87-M95 HydrophobicContact CE2-CB 3.93Å; F87-M95 HydrophobicContact CE2-CE 4.1Å; F87-M95 HydrophobicContact CE2-CG 4.01Å; F87-M95 HydrophobicContact CE2-SD 4.47Å; F87-M95 HydrophobicContact CZ-CB 4.42Å; F87-M95 HydrophobicContact CZ-CE 3.84Å; F87-M95 HydrophobicContact CZ-CG 4.08Å; F87-A96 CarbonylContact C-O 3.51Å; F87-A96 WeakPolarHBondContact CA-O 3.4Å; F87-V97 HydrophobicContact CD2-CG2 4.34Å; F87-I119 HydrophobicContact CD1-CG2 4.48Å; F87-I119 HydrophobicContact CE1-CD1 3.72Å; F87-I119 HydrophobicContact CE1-CG2 3.93Å; F87-I119 HydrophobicContact CZ-CD1 3.92Å; F87-L132 HydrophobicContact CB-CD1 4.12Å; F87-L132 HydrophobicContact CB-CD2 4.4Å; F87-L132 HydrophobicContact CD1-CD1 3.92Å; F87-L132 HydrophobicContact CD1-CD2 4.13Å; F87-L132 HydrophobicContact CD2-CD1 3.45Å; F87-L132 VanDerWaalsContact CD2-CD1 3.45Å; F87-L132 HydrophobicContact CE1-CD1 4.15Å; F87-L132 HydrophobicContact CE2-CD1 3.7Å; F87-L132 HydrophobicContact CG-CD1 3.54Å; F87-L132 HydrophobicContact CG-CD2 4.25Å; F87-L132 HydrophobicContact CZ-CD1 4.03Å; F87-L149 HydrophobicContact CD2-CD2 3.7Å; F87-L149 HydrophobicContact CE2-CD2 3.62Å |
| 88 | S | 95.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.6 | 169.5 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | I45 H65 N71 L72 M95 A96 W98 | I45-S88 WeakPolarHBondContact CD1-OG 3.3Å; H65-S88 PolarHBondContact NE2-OG 2.85Å; N71-S88 WeakPolarHBondContact O-CA 3.43Å; L72-S88 VanDerWaalsContact CD2-CB 3.45Å; S88-M95 WeakPolarHBondContact O-CA 3.41Å; S88-A96 PolarHBondContact N-O 2.79Å; S88-A96 PolarHBondContact O-N 2.94Å; S88-W98 PolarHBondContact OG-NE1 2.82Å |
| 89 | Y | 94.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.6 | 176.7 | 171.7 | -101.6 | 0 | 0 | 0 | 111 | V69 S70 N71 E94 M95 H116 I119 | V69-Y89 CarbonylContact C-O 3.6Å; V69-Y89 WeakPolarHBondContact CA-O 3.23Å; S70-Y89 PolarHBondContact N-O 2.95Å; S70-Y89 WeakPolarHBondContact OG-CD1 3.5Å; N71-Y89 PolarHBondContact N-O 3.46Å; N71-Y89 PolarHBondContact O-N 3.14Å; Y89-E94 WeakPolarHBondContact CA-O 3.47Å; Y89-M95 HydrophobicContact CD2-CG 3.79Å; Y89-M95 HydrophobicContact CE2-CG 4.44Å; Y89-H116 HydrophobicContact CD1-CB 4.49Å; Y89-H116 HydrophobicContact CE1-CB 3.91Å; Y89-H116 WeakPolarHBondContact CE1-O 3.37Å; Y89-H116 HydrophobicContact CE2-CB 4.34Å; Y89-H116 AromaticContact CE2-CD2 3.6Å; Y89-H116 AromaticContact CZ-CD2 3.94Å; Y89-H116 PolarHBondContact OH-N 2.86Å; Y89-H116 VanDerWaalsContact OH-N 3.11Å; Y89-H116 PolarHBondContact OH-O 3.04Å; Y89-I119 HydrophobicContact CD1-CD1 3.9Å; Y89-I119 HydrophobicContact CD2-CD1 4.28Å; Y89-I119 HydrophobicContact CG-CD1 3.7Å |
| 90 | S | 89.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.9 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | H65 S67 L68 N92 G93 E94 | H65-S90 PolarHBondContact ND1-OG 2.87Å; S67-S90 WeakPolarHBondContact O-CB 3.46Å; L68-S90 WeakPolarHBondContact O-CA 3.41Å; L68-S90 WeakPolarHBondContact O-CB 3.44Å; S90-N92 WeakPolarHBondContact CB-OD1 3.37Å; S90-N92 PolarHBondContact O-N 3.27Å; S90-N92 PolarHBondContact O-OD1 3.24Å; S90-N92 PolarHBondContact OG-OD1 2.93Å; S90-G93 PolarHBondContact O-N 2.97Å; S90-E94 PolarHBondContact N-O 3.15Å; S90-E94 PolarHBondContact OG-O 3.03Å |
| 91 | I | 84.6 | Confident | 82.8 | Confident | 64 Ų | 64 | 22.3 Ų | 22.3 | 33% | 0.328 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.6 | -169.4 | -165.2 | 166.2 | 0 | 0 | 0 | 115.5 | S67 L68 | S67-I91 WeakPolarHBondContact OG-CG2 3.31Å; L68-I91 HydrophobicContact CB-CG2 4.15Å; L68-I91 PolarHBondContact O-N 3.02Å; L68-I91 VanDerWaalsContact O-N 3.1Å |
| 92 | N | 74 | Confident | 84.1 | Confident | 11 Ų | 11 | 19.6 Ų | 19.6 | 6% | 0.059 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.9 | 173.4 | 63.5 | -9.3 | 0 | 0 | 0 | 114.5 | S90 E94 N832 | S90-N92 WeakPolarHBondContact CB-OD1 3.37Å; S90-N92 PolarHBondContact O-N 3.27Å; S90-N92 PolarHBondContact O-OD1 3.24Å; S90-N92 PolarHBondContact OG-OD1 2.93Å; N92-E94 VanDerWaalsContact ND2-CD 3.26Å; N92-E94 PolarHBondContact ND2-OE2 3.36Å; N92-E94 PolarHBondContact OD1-N 2.74Å; N92-N832 HydrophobicContact CB-CB 3.81Å |
| 93 | G | 84.6 | Confident | 85.7 | Confident | 5 Ų | 5 | 13.3 Ų | 13.3 | 5% | 0.052 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 96.3 | -0.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | S90 M110 D111 | S90-G93 PolarHBondContact O-N 2.97Å; G93-M110 WeakPolarHBondContact O-CA 3.48Å; G93-D111 PolarHBondContact O-N 3.07Å |
| 94 | E | 86.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.4 | 176.1 | -62.4 | 174.7 | 141.1 | 0 | 0 | 110.8 | H65 K66 Y89 S90 N92 F108 M110 | H65-E94 PolarHBondContact CE1-O 3.1Å; H65-E94 PolarHBondContact ND1-O 2.91Å; K66-E94 WeakPolarHBondContact CE-OE1 3.42Å; K66-E94 PolarHBondContact N-OE2 3.39Å; K66-E94 IonicContact NZ-OE1 3.56Å; K66-E94 PolarHBondContact NZ-OE1 3.11Å; Y89-E94 WeakPolarHBondContact CA-O 3.47Å; S90-E94 PolarHBondContact N-O 3.15Å; S90-E94 PolarHBondContact OG-O 3.03Å; N92-E94 VanDerWaalsContact ND2-CD 3.26Å; N92-E94 PolarHBondContact ND2-OE2 3.36Å; N92-E94 PolarHBondContact OD1-N 2.74Å; E94-F108 HydrophobicContact CB-CE2 4.35Å; E94-F108 HydrophobicContact CB-CZ 3.87Å; E94-F108 HydrophobicContact CG-CE1 4.38Å; E94-F108 HydrophobicContact CG-CZ 3.88Å; E94-M110 HydrophobicContact CG-CG 4.35Å |
| 95 | M | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.2 | 178.1 | -69.9 | 176.5 | 133.6 | 0 | 0 | 109.4 | F87 S88 Y89 F108 K109 D111 H116 L144 L149 | F87-M95 HydrophobicContact CE2-CB 3.93Å; F87-M95 HydrophobicContact CE2-CE 4.1Å; F87-M95 HydrophobicContact CE2-CG 4.01Å; F87-M95 HydrophobicContact CE2-SD 4.47Å; F87-M95 HydrophobicContact CZ-CB 4.42Å; F87-M95 HydrophobicContact CZ-CE 3.84Å; F87-M95 HydrophobicContact CZ-CG 4.08Å; S88-M95 WeakPolarHBondContact O-CA 3.41Å; Y89-M95 HydrophobicContact CD2-CG 3.79Å; Y89-M95 HydrophobicContact CE2-CG 4.44Å; M95-F108 WeakPolarHBondContact O-CA 3.24Å; M95-K109 WeakPolarHBondContact CA-O 3.2Å; M95-K109 WeakPolarHBondContact CB-O 3.4Å; M95-K109 PolarHBondContact N-O 2.79Å; M95-K109 PolarHBondContact O-N 2.7Å; M95-D111 HydrophobicContact SD-CB 4.32Å; M95-H116 VanDerWaalsContact CE-NE2 3.3Å; M95-H116 WeakPolarHBondContact CE-NE2 3.34Å; M95-L144 HydrophobicContact CE-CD1 3.93Å; M95-L144 HydrophobicContact CE-CD2 4.36Å; M95-L149 HydrophobicContact CB-CD1 3.77Å |
| 96 | A | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F87 S88 W98 E107 F108 | F87-A96 CarbonylContact C-O 3.51Å; F87-A96 WeakPolarHBondContact CA-O 3.4Å; S88-A96 PolarHBondContact N-O 2.79Å; S88-A96 PolarHBondContact O-N 2.94Å; A96-W98 HydrophobicContact CB-CZ2 3.76Å; A96-E107 WeakPolarHBondContact CA-O 3.44Å; A96-F108 HydrophobicContact CB-CD2 3.79Å; A96-F108 HydrophobicContact CB-CE2 4.41Å |
| 97 | V | 91.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.3 | 176 | -179.2 | 0 | 0 | 0 | 0 | 109 | A75 F85 F86 F87 C105 L106 E107 A146 T147 L149 | A75-V97 HydrophobicContact CB-CG1 4.32Å; F85-V97 HydrophobicContact CB-CG1 4.31Å; F86-V97 CarbonylContact O-C 3.54Å; F86-V97 WeakPolarHBondContact O-CA 3.15Å; F87-V97 HydrophobicContact CD2-CG2 4.34Å; V97-C105 WeakPolarHBondContact O-CA 3.47Å; V97-L106 PolarHBondContact O-N 2.74Å; V97-E107 PolarHBondContact N-O 3.44Å; V97-A146 WeakPolarHBondContact CG2-O 3.46Å; V97-T147 HydrophobicContact CG1-CG2 4.31Å; V97-L149 HydrophobicContact CG2-CD1 4.21Å; V97-L149 HydrophobicContact CG2-CD2 3.83Å; V97-L149 HydrophobicContact CG2-CG 4.04Å |
| 98 | W | 89.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154.2 | -169.6 | -45.6 | 84.4 | 0 | 0 | 0 | 112.2 | I45 L62 H65 F85 F86 S88 A96 G103 K104 C105 C1028 | I45-W98 HydrophobicContact CD1-CZ2 4.24Å; L62-W98 HydrophobicContact CB-CE3 4.17Å; L62-W98 HydrophobicContact CB-CH2 4.05Å; L62-W98 HydrophobicContact CB-CZ3 3.78Å; L62-W98 HydrophobicContact CD1-CB 4.35Å; L62-W98 HydrophobicContact CD1-CD2 3.89Å; L62-W98 HydrophobicContact CD1-CE3 3.77Å; L62-W98 HydrophobicContact CD1-CG 4.17Å; L62-W98 HydrophobicContact CD1-CZ3 4.27Å; H65-W98 AromaticContact CD2-CZ2 3.98Å; F85-W98 CarbonylContact C-O 3.57Å; F85-W98 VanDerWaalsContact CA-O 3.24Å; F85-W98 WeakPolarHBondContact CA-O 3.38Å; F86-W98 HydrophobicContact CD1-CB 4.15Å; F86-W98 HydrophobicContact CE1-CB 3.61Å; F86-W98 HydrophobicContact CE1-CG 4.35Å; F86-W98 HydrophobicContact CE2-CB 4.08Å; F86-W98 AromaticContact CE2-CD1 3.51Å; F86-W98 AromaticContact CE2-CG 3.98Å; F86-W98 HydrophobicContact CE2-CG 3.98Å; F86-W98 HydrophobicContact CZ-CB 3.57Å; F86-W98 AromaticContact CZ-CD1 3.83Å; F86-W98 AromaticContact CZ-CG 3.81Å; F86-W98 HydrophobicContact CZ-CG 3.81Å; F86-W98 PolarHBondContact N-O 3.32Å; F86-W98 PolarHBondContact O-N 2.8Å; S88-W98 PolarHBondContact OG-NE1 2.82Å; A96-W98 HydrophobicContact CB-CZ2 3.76Å; W98-G103 VanDerWaalsContact CE3-O 3.22Å; W98-K104 WeakPolarHBondContact CA-O 3.33Å; W98-C105 HydrophobicContact CD2-CB 4.18Å; W98-C105 HydrophobicContact CE3-CB 3.52Å; W98-C105 HydrophobicContact CH2-CB 4.27Å; W98-C105 HydrophobicContact CZ3-CB 3.6Å; W98-C1028 HydrophobicContact CH2-CB 3.82Å; W98-C1028 HydrophobicContact CZ3-CB 3.98Å |
| 99 | N | 85.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 23.6 Ų | 23.6 | 10% | 0.102 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.9 | 169.3 | -176.3 | 8.7 | 0 | 0 | 0 | 111.1 | Q84 F85 N101 D102 G103 K104 | Q84-N99 PolarHBondContact O-OD1 2.86Å; F85-N99 HydrophobicContact CD1-CB 4.43Å; N99-N101 VanDerWaalsContact C-N 3.28Å; N99-N101 PolarHBondContact O-N 3.29Å; N99-N101 PolarHBondContact OD1-N 3.38Å; N99-N101 VanDerWaalsContact OD1-N 3.07Å; N99-D102 WeakPolarHBondContact CB-OD1 3.43Å; N99-D102 PolarHBondContact ND2-OD1 3.19Å; N99-G103 WeakPolarHBondContact O-CA 3.45Å; N99-G103 PolarHBondContact O-N 2.94Å; N99-K104 HydrophobicContact CB-CB 4.45Å; N99-K104 PolarHBondContact N-O 3.43Å |
| 100 | W | 87.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30.6 | 173.8 | -77.9 | 102.7 | 0 | 0 | 0 | 113.1 | L28 A37 L47 Q84 F86 | L28-W100 HydrophobicContact CD2-CH2 4.19Å; L28-W100 HydrophobicContact CD2-CZ2 3.68Å; L28-W100 HydrophobicContact CG-CH2 4.29Å; L28-W100 HydrophobicContact CG-CZ2 4.08Å; A37-W100 HydrophobicContact CB-CH2 3.64Å; A37-W100 HydrophobicContact CB-CZ3 3.68Å; L47-W100 HydrophobicContact CD2-CE3 4.14Å; L47-W100 HydrophobicContact CD2-CZ3 4.18Å; Q84-W100 HydrophobicContact CB-CB 4.47Å; Q84-W100 HydrophobicContact CB-CG 4.33Å; Q84-W100 PolarHBondContact O-N 3.21Å; F86-W100 HydrophobicContact CB-CZ2 4.02Å; F86-W100 AromaticContact CD1-CD1 3.99Å; F86-W100 AromaticContact CD1-CD2 3.73Å; F86-W100 HydrophobicContact CD1-CD2 3.73Å; F86-W100 AromaticContact CD1-CE2 3.69Å; F86-W100 HydrophobicContact CD1-CE3 4.27Å; F86-W100 AromaticContact CD1-CG 3.97Å; F86-W100 HydrophobicContact CD1-CG 3.97Å; F86-W100 HydrophobicContact CD1-CZ2 4.22Å; F86-W100 AromaticContact CD1-NE1 3.84Å; F86-W100 HydrophobicContact CE1-CD2 4.31Å; F86-W100 HydrophobicContact CE1-CE3 4.49Å; F86-W100 HydrophobicContact CG-CZ2 4.29Å |
| 101 | N | 81.9 | Confident | 83.9 | Confident | 69 Ų | 69 | 27.3 Ų | 27.3 | 37% | 0.369 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -49.6 | -172.4 | -75.9 | -58 | 0 | 0 | 0 | 113.8 | R59 W60 K82 N99 | R59-N101 VanDerWaalsContact CZ-O 3.22Å; R59-N101 PolarHBondContact NE-O 3.3Å; R59-N101 PolarHBondContact NH2-O 3.31Å; W60-N101 PolarHBondContact NE1-O 3.1Å; K82-N101 PolarHBondContact O-ND2 3.42Å; N99-N101 VanDerWaalsContact C-N 3.28Å; N99-N101 PolarHBondContact O-N 3.29Å; N99-N101 PolarHBondContact OD1-N 3.38Å; N99-N101 VanDerWaalsContact OD1-N 3.07Å |
| 102 | D | 79.2 | Confident | 83.4 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 9.6 | -176.7 | 69.4 | -6.6 | 0 | 0 | 0 | 113.8 | W60 N99 K104 L1022 S1030 S1059 | W60-D102 HydrophobicContact CZ2-CB 4.23Å; N99-D102 WeakPolarHBondContact CB-OD1 3.43Å; N99-D102 PolarHBondContact ND2-OD1 3.19Å; D102-K104 PolarHBondContact O-N 3.48Å; D102-K104 WeakPolarHBondContact OD1-CB 3.5Å; D102-K104 PolarHBondContact OD1-N 3.08Å; D102-L1022 HydrophobicContact CB-CD1 3.79Å; D102-L1022 WeakPolarHBondContact OD2-CD1 3.4Å; D102-S1030 WeakPolarHBondContact O-CB 3.47Å; D102-S1059 VanDerWaalsContact CB-CB 3.45Å; D102-S1059 WeakPolarHBondContact CB-OG 3.34Å; D102-S1059 PolarHBondContact OD2-OG 3.04Å |
| 103 | G | 85.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | 64.8 | 8.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L62 W98 N99 C105 S1030 | L62-G103 VanDerWaalsContact CD2-CA 3.48Å; L62-G103 WeakPolarHBondContact CD2-O 3.45Å; W98-G103 VanDerWaalsContact CE3-O 3.22Å; N99-G103 WeakPolarHBondContact O-CA 3.45Å; N99-G103 PolarHBondContact O-N 2.94Å; G103-C105 PolarHBondContact O-N 3.24Å; G103-S1030 WeakPolarHBondContact O-CB 3.41Å; G103-S1030 PolarHBondContact O-OG 2.69Å | ||
| 104 | K | 83.4 | Confident | 83.7 | Confident | 67 Ų | 67 | 37 Ų | 37 | 29% | 0.291 | 17% | 0.174 | S | C | . | . | trans | -70.4 | 127.5 | -170.5 | 172.7 | 178.8 | 155.4 | -144.9 | 0 | 112.2 | W98 N99 D102 L106 L1022 S1030 I1061 | W98-K104 WeakPolarHBondContact CA-O 3.33Å; N99-K104 HydrophobicContact CB-CB 4.45Å; N99-K104 PolarHBondContact N-O 3.43Å; D102-K104 PolarHBondContact O-N 3.48Å; D102-K104 WeakPolarHBondContact OD1-CB 3.5Å; D102-K104 PolarHBondContact OD1-N 3.08Å; K104-L106 HydrophobicContact CD-CD2 4.36Å; K104-L106 HydrophobicContact CG-CD2 4.3Å; K104-L1022 HydrophobicContact CB-CD1 4.41Å; K104-S1030 WeakPolarHBondContact CA-OG 3.47Å; K104-I1061 HydrophobicContact CD-CD1 3.34Å | ||
| 105 | C | 84 | Confident | 83.7 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.2 | 168.4 | -167.1 | 0 | 0 | 0 | 0 | 110.9 | V97 W98 G103 E107 S1024 C1026 C1028 | V97-C105 WeakPolarHBondContact O-CA 3.47Å; W98-C105 HydrophobicContact CD2-CB 4.18Å; W98-C105 HydrophobicContact CE3-CB 3.52Å; W98-C105 HydrophobicContact CH2-CB 4.27Å; W98-C105 HydrophobicContact CZ3-CB 3.6Å; G103-C105 PolarHBondContact O-N 3.24Å; C105-E107 PolarHBondContact SG-O 2.93Å; C105-E107 VanDerWaalsContact SG-O 3.4Å; C105-S1024 WeakPolarHBondContact O-CB 3.42Å; C105-C1026 VanDerWaalsContact SG-SG 3.69Å; C105-C1028 HydrophobicContact CB-CB 4Å |
| 106 | L | 78.6 | Confident | 83.7 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -48.4 | -175.5 | -60.8 | 176.2 | 0 | 0 | 0 | 111.6 | F85 V97 K104 | F85-L106 HydrophobicContact CD1-CD1 3.48Å; F85-L106 VanDerWaalsContact CD1-CD1 3.48Å; F85-L106 HydrophobicContact CE1-CD1 3.44Å; F85-L106 VanDerWaalsContact CE1-CD1 3.44Å; F85-L106 HydrophobicContact CG-CD1 4.11Å; F85-L106 HydrophobicContact CZ-CD1 4.01Å; V97-L106 PolarHBondContact O-N 2.74Å; K104-L106 HydrophobicContact CD-CD2 4.36Å; K104-L106 HydrophobicContact CG-CD2 4.3Å |
| 107 | E | 79.9 | Confident | 83.6 | Confident | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.4 | 171.6 | -77.5 | -65.2 | 174.9 | 0 | 0 | 109.6 | A96 V97 C105 | A96-E107 WeakPolarHBondContact CA-O 3.44Å; V97-E107 PolarHBondContact N-O 3.44Å; C105-E107 PolarHBondContact SG-O 2.93Å; C105-E107 VanDerWaalsContact SG-O 3.4Å |
| 108 | F | 81.3 | Confident | 83.5 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 21% | 0.211 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.5 | 178.1 | -176.7 | -81.6 | 0 | 0 | 0 | 108.8 | E94 M95 A96 C1026 C1028 | E94-F108 HydrophobicContact CB-CE2 4.35Å; E94-F108 HydrophobicContact CB-CZ 3.87Å; E94-F108 HydrophobicContact CG-CE1 4.38Å; E94-F108 HydrophobicContact CG-CZ 3.88Å; M95-F108 WeakPolarHBondContact O-CA 3.24Å; A96-F108 HydrophobicContact CB-CD2 3.79Å; A96-F108 HydrophobicContact CB-CE2 4.41Å; F108-C1026 HydrophobicContact CB-CB 3.7Å; F108-C1026 VanDerWaalsContact CB-SG 3.52Å; F108-C1026 HydrophobicContact CD1-CB 4.49Å; F108-C1026 HydrophobicContact CG-CB 4.22Å; F108-C1028 WeakPolarHBondContact CD2-SG 3.37Å |
| 109 | K | 82.7 | Confident | 83.7 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.1 | -172.4 | 179.4 | -170 | 167.5 | -146.9 | 0 | 108.9 | M95 D111 L149 | M95-K109 WeakPolarHBondContact CA-O 3.2Å; M95-K109 WeakPolarHBondContact CB-O 3.4Å; M95-K109 PolarHBondContact N-O 2.79Å; M95-K109 PolarHBondContact O-N 2.7Å; K109-D111 WeakPolarHBondContact CE-OD2 3.45Å; K109-D111 IonicContact NZ-OD2 3.82Å; K109-D111 PolarHBondContact NZ-OD2 2.93Å; K109-L149 HydrophobicContact CB-CD1 3.89Å; K109-L149 HydrophobicContact CD-CB 3.81Å; K109-L149 PolarHBondContact NZ-O 2.87Å |
| 110 | M | 80.4 | Confident | 83.9 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122 | 164.6 | -166.6 | 175.4 | -178.8 | 0 | 0 | 107.2 | G93 E94 T112 | G93-M110 WeakPolarHBondContact O-CA 3.48Å; E94-M110 HydrophobicContact CG-CG 4.35Å; M110-T112 HydrophobicContact CE-CG2 4.35Å; M110-T112 HydrophobicContact CG-CG2 4.06Å; M110-T112 HydrophobicContact SD-CG2 4.3Å |
| 111 | D | 79.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | trans | -101.4 | 105.3 | 169.8 | -148 | -43.8 | 0 | 0 | 0 | 109.1 | G93 M95 K109 R113 | G93-D111 PolarHBondContact O-N 3.07Å; M95-D111 HydrophobicContact SD-CB 4.32Å; K109-D111 WeakPolarHBondContact CE-OD2 3.45Å; K109-D111 IonicContact NZ-OD2 3.82Å; K109-D111 PolarHBondContact NZ-OD2 2.93Å; D111-R113 VanDerWaalsContact C-N 3.3Å; D111-R113 IonicContact OD1-CZ 2.68Å; D111-R113 PolarHBondContact OD1-N 2.62Å; D111-R113 IonicContact OD1-NE 2.77Å; D111-R113 PolarHBondContact OD1-NE 2.95Å; D111-R113 IonicContact OD1-NH2 2.85Å; D111-R113 PolarHBondContact OD1-NH2 3.09Å; D111-R113 IonicContact OD2-CZ 3.64Å; D111-R113 IonicContact OD2-NE 3.87Å; D111-R113 IonicContact OD2-NH2 3.67Å; D111-R113 PolarHBondContact OD2-NH2 3.03Å | ||
| 112 | T | 74.7 | Confident | 84.5 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -86.5 | -3.7 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | M110 G829 | M110-T112 HydrophobicContact CE-CG2 4.35Å; M110-T112 HydrophobicContact CG-CG2 4.06Å; M110-T112 HydrophobicContact SD-CG2 4.3Å; T112-G829 VanDerWaalsContact CG2-O 3.26Å; T112-G829 WeakPolarHBondContact CG2-O 3.39Å |
| 113 | R | 80.3 | Confident | 84.7 | Confident | 148 Ų | 148 | 51.7 Ų | 51.7 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -94.5 | -23.3 | -174.3 | -55.2 | 168.4 | -62.6 | 155.2 | 8.6 | 113 | D111 | D111-R113 VanDerWaalsContact C-N 3.3Å; D111-R113 IonicContact OD1-CZ 2.68Å; D111-R113 PolarHBondContact OD1-N 2.62Å; D111-R113 IonicContact OD1-NE 2.77Å; D111-R113 PolarHBondContact OD1-NE 2.95Å; D111-R113 IonicContact OD1-NH2 2.85Å; D111-R113 PolarHBondContact OD1-NH2 3.09Å; D111-R113 IonicContact OD2-CZ 3.64Å; D111-R113 IonicContact OD2-NE 3.87Å; D111-R113 IonicContact OD2-NH2 3.67Å; D111-R113 PolarHBondContact OD2-NH2 3.03Å |
| 114 | Y | 84.5 | Confident | 84.5 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 18% | 0.18 | 24% | 0.24 | C | C | . | . | trans | -135.8 | 124.2 | -171.8 | -60.5 | -63.7 | 0 | 0 | 0 | 111.1 | H116 Y138 H140 V142 | Y114-H116 VanDerWaalsContact CB-CE1 3.42Å; Y114-H116 WeakPolarHBondContact CB-CE1 3.43Å; Y114-H116 PolarHBondContact O-N 3.17Å; Y114-Y138 HydrophobicContact CD1-CD1 4.22Å; Y114-Y138 HydrophobicContact CD1-CD2 4.1Å; Y114-Y138 HydrophobicContact CD1-CE1 4.46Å; Y114-Y138 HydrophobicContact CD1-CE2 4.31Å; Y114-Y138 HydrophobicContact CD1-CG 4.08Å; Y114-Y138 HydrophobicContact CE1-CD2 4.46Å; Y114-H140 AromaticContact CE1-NE2 3.26Å; Y114-H140 VanDerWaalsContact CE1-NE2 3.26Å; Y114-H140 WeakPolarHBondContact CE1-NE2 3.49Å; Y114-H140 AromaticContact CZ-NE2 3.81Å; Y114-V142 HydrophobicContact CD1-CG2 4.12Å; Y114-V142 HydrophobicContact CD2-CG2 4.16Å; Y114-V142 HydrophobicContact CE1-CG2 3.91Å; Y114-V142 HydrophobicContact CE2-CG1 4.43Å; Y114-V142 HydrophobicContact CE2-CG2 3.94Å; Y114-V142 HydrophobicContact CG-CG2 4.23Å | ||
| 115 | R | 86.5 | Confident | 84.1 | Confident | 118 Ų | 118 | 52 Ų | 52 | 45% | 0.445 | 25% | 0.249 | S | C | . | . | trans | -96.8 | 86.3 | 169.4 | -159.7 | -173.3 | -170.4 | -163.8 | 6 | 109.4 | Q137 Y138 | R115-Q137 VanDerWaalsContact CD-OE1 3.3Å; R115-Q137 PolarHBondContact O-N 2.69Å; R115-Y138 WeakPolarHBondContact O-CE1 3.43Å | ||
| 116 | H | 91 | Very high | 83.8 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 144.3 | 176.5 | -44.8 | -59.7 | 0 | 0 | 0 | 110.1 | Y89 M95 Y114 I119 C134 C135 Y138 | Y89-H116 HydrophobicContact CD1-CB 4.49Å; Y89-H116 HydrophobicContact CE1-CB 3.91Å; Y89-H116 WeakPolarHBondContact CE1-O 3.37Å; Y89-H116 HydrophobicContact CE2-CB 4.34Å; Y89-H116 AromaticContact CE2-CD2 3.6Å; Y89-H116 AromaticContact CZ-CD2 3.94Å; Y89-H116 PolarHBondContact OH-N 2.86Å; Y89-H116 VanDerWaalsContact OH-N 3.11Å; Y89-H116 PolarHBondContact OH-O 3.04Å; M95-H116 VanDerWaalsContact CE-NE2 3.3Å; M95-H116 WeakPolarHBondContact CE-NE2 3.34Å; Y114-H116 VanDerWaalsContact CB-CE1 3.42Å; Y114-H116 WeakPolarHBondContact CB-CE1 3.43Å; Y114-H116 PolarHBondContact O-N 3.17Å; H116-I119 HydrophobicContact CB-CD1 3.9Å; H116-I119 HydrophobicContact CB-CG1 4.02Å; H116-C134 HydrophobicContact CB-CB 4.42Å; H116-C134 WeakPolarHBondContact ND1-CB 3.36Å; H116-C135 CarbonylContact C-O 3.53Å; H116-C135 VanDerWaalsContact CA-O 3.26Å; H116-C135 WeakPolarHBondContact CA-O 3.39Å; H116-Y138 AromaticContact ND1-CE1 3.96Å; H116-Y138 AromaticContact ND1-CZ 3.6Å; H116-Y138 PolarHBondContact ND1-OH 2.96Å |
| 117 | T | 88.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -39.8 | 173.2 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | N71 C135 G136 Q137 | N71-T117 PolarHBondContact ND2-O 2.95Å; T117-C135 PolarHBondContact N-O 2.98Å; T117-G136 WeakPolarHBondContact OG1-CA 3.26Å; T117-Q137 HydrophobicContact CG2-CG 4.35Å |
| 118 | Y | 89.4 | Confident | 83.2 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.1 | 177.9 | 178 | -116.9 | 0 | 0 | 0 | 110.1 | K120 C135 F167 | Y118-K120 HydrophobicContact CE1-CB 4.35Å; Y118-C135 PolarHBondContact O-N 2.93Å; Y118-F167 AromaticContact CD1-CD1 3.89Å; Y118-F167 HydrophobicContact CD1-CD1 3.89Å; Y118-F167 AromaticContact CD1-CE1 3.5Å; Y118-F167 HydrophobicContact CD1-CE1 3.5Å; Y118-F167 HydrophobicContact CD1-CZ 4.12Å; Y118-F167 HydrophobicContact CE1-CD1 4.1Å; Y118-F167 AromaticContact CE1-CE1 3.78Å; Y118-F167 HydrophobicContact CE1-CE1 3.78Å; Y118-F167 HydrophobicContact CE1-CZ 4Å |
| 119 | I | 93.2 | Very high | 82.8 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.9 | -178.7 | -57.3 | -179.1 | 0 | 0 | 0 | 108.2 | N71 C73 F87 Y89 H116 L132 F133 C134 | N71-I119 HydrophobicContact CB-CB 4.16Å; N71-I119 HydrophobicContact CB-CD1 4.37Å; N71-I119 HydrophobicContact CB-CG1 4.39Å; N71-I119 PolarHBondContact OD1-N 3.18Å; C73-I119 PolarHBondContact SG-O 2.86Å; F87-I119 HydrophobicContact CD1-CG2 4.48Å; F87-I119 HydrophobicContact CE1-CD1 3.72Å; F87-I119 HydrophobicContact CE1-CG2 3.93Å; F87-I119 HydrophobicContact CZ-CD1 3.92Å; Y89-I119 HydrophobicContact CD1-CD1 3.9Å; Y89-I119 HydrophobicContact CD2-CD1 4.28Å; Y89-I119 HydrophobicContact CG-CD1 3.7Å; H116-I119 HydrophobicContact CB-CD1 3.9Å; H116-I119 HydrophobicContact CB-CG1 4.02Å; I119-L132 HydrophobicContact CG2-CB 4.25Å; I119-L132 HydrophobicContact CG2-CD2 4.05Å; I119-F133 CarbonylContact C-O 3.45Å; I119-F133 WeakPolarHBondContact CA-O 3.24Å; I119-C134 HydrophobicContact CG1-CB 4.17Å |
| 120 | K | 90.9 | Very high | 83 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128 | 177.1 | -164 | 173.6 | -169.5 | 164.9 | 0 | 110.5 | Y118 F133 F167 | Y118-K120 HydrophobicContact CE1-CB 4.35Å; K120-F133 PolarHBondContact N-O 3.3Å; K120-F133 PolarHBondContact O-N 2.8Å; K120-F167 HydrophobicContact CB-CE2 3.71Å; K120-F167 HydrophobicContact CB-CZ 3.58Å; K120-F167 HydrophobicContact CD-CE2 4.41Å |
| 121 | S | 91.1 | Very high | 83.5 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132.7 | 171.2 | 175.2 | 0 | 0 | 0 | 0 | 111 | C73 I74 R130 L131 | C73-S121 PolarHBondContact SG-N 3.04Å; I74-S121 VanDerWaalsContact O-CB 3.24Å; I74-S121 WeakPolarHBondContact O-CB 3.38Å; I74-S121 PolarHBondContact O-OG 2.86Å; S121-R130 WeakPolarHBondContact OG-CD 3.5Å; S121-R130 PolarHBondContact OG-NH1 2.87Å; S121-L131 WeakPolarHBondContact CA-O 3.2Å |
| 122 | H | 89.1 | Confident | 84.1 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.4 | 178.5 | -174.1 | 56.6 | 0 | 0 | 0 | 111.1 | R130 L131 F133 T171 E178 | H122-R130 CarbonylContact O-C 3.59Å; H122-R130 WeakPolarHBondContact O-CA 3.37Å; H122-L131 PolarHBondContact N-O 3.47Å; H122-L131 PolarHBondContact O-N 3.17Å; H122-F133 HydrophobicContact CB-CD2 4.09Å; H122-F133 HydrophobicContact CB-CE2 3.91Å; H122-T171 PolarHBondContact CE1-OG1 3Å; H122-T171 VanDerWaalsContact CE1-OG1 3.23Å; H122-T171 PolarHBondContact NE2-OG1 3.17Å; H122-E178 IonicContact CD2-OE2 2.8Å; H122-E178 PolarHBondContact CD2-OE2 3Å; H122-E178 VanDerWaalsContact CD2-OE2 3.24Å; H122-E178 IonicContact CE1-OE1 3.77Å; H122-E178 IonicContact NE2-OE1 2.87Å; H122-E178 PolarHBondContact NE2-OE1 2.91Å; H122-E178 VanDerWaalsContact NE2-OE1 3.07Å; H122-E178 IonicContact NE2-OE2 3.14Å; H122-E178 PolarHBondContact NE2-OE2 3.46Å |
| 123 | Q | 85.1 | Confident | 85.1 | Confident | 57 Ų | 57 | 44.8 Ų | 44.8 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 99.4 | 172.2 | 175.3 | 54.9 | 70.3 | 0 | 0 | 107.7 | L127 R130 | Q123-L127 PolarHBondContact NE2-O 2.81Å; Q123-R130 HydrophobicContact CB-CG 4.09Å |
| 124 | T | 80.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -60.5 | 150.3 | 177.6 | 68.4 | 0 | 0 | 0 | 0 | 111 | Y126 L127 L131 E178 | T124-Y126 HydrophobicContact CG2-CE1 4.27Å; T124-Y126 PolarHBondContact O-N 2.88Å; T124-L127 HydrophobicContact CG2-CD1 4.15Å; T124-L127 WeakPolarHBondContact OG1-CB 3.5Å; T124-L127 WeakPolarHBondContact OG1-CG 3.27Å; T124-L127 PolarHBondContact OG1-N 3.26Å; T124-L131 HydrophobicContact CG2-CD1 3.47Å; T124-L131 VanDerWaalsContact CG2-CD1 3.47Å; T124-L131 HydrophobicContact CG2-CG 3.9Å; T124-E178 WeakPolarHBondContact CA-OE1 3.19Å; T124-E178 WeakPolarHBondContact CA-OE2 3.49Å; T124-E178 WeakPolarHBondContact CB-OE2 3.45Å; T124-E178 WeakPolarHBondContact CG2-OE2 3.28Å | ||
| 125 | C | 75.9 | Confident | 86.2 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 48% | 0.48 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -73.4 | -8.2 | 173.8 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | T171 E178 | C125-T171 HydrophobicContact CB-CG2 4.02Å; C125-E178 PolarHBondContact N-OE1 3.22Å; C125-E178 VanDerWaalsContact N-OE1 3.11Å |
| 126 | Y | 76.7 | Confident | 86.3 | Confident | 55 Ų | 55 | 30.2 Ų | 30.2 | 22% | 0.216 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -122.1 | -4.1 | -172 | 59.7 | -95.3 | 0 | 0 | 0 | 115.5 | T124 R176 E178 E198 | T124-Y126 HydrophobicContact CG2-CE1 4.27Å; T124-Y126 PolarHBondContact O-N 2.88Å; Y126-R176 WeakPolarHBondContact CD1-O 3.41Å; Y126-E178 HydrophobicContact CE1-CG 4.14Å; Y126-E198 PolarHBondContact OH-OE2 3.46Å |
| 127 | L | 74.8 | Confident | 86.1 | Confident | 41 Ų | 41 | 34.2 Ų | 34.2 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -118.9 | 146.3 | 175.8 | -52 | 169.5 | 0 | 0 | 0 | 111.9 | Q123 T124 Y129 L131 | Q123-L127 PolarHBondContact NE2-O 2.81Å; T124-L127 HydrophobicContact CG2-CD1 4.15Å; T124-L127 WeakPolarHBondContact OG1-CB 3.5Å; T124-L127 WeakPolarHBondContact OG1-CG 3.27Å; T124-L127 PolarHBondContact OG1-N 3.26Å; L127-Y129 HydrophobicContact CB-CD1 4.28Å; L127-Y129 HydrophobicContact CB-CD2 4.46Å; L127-Y129 HydrophobicContact CB-CE1 4.2Å; L127-Y129 HydrophobicContact CB-CE2 4.38Å; L127-Y129 HydrophobicContact CB-CG 4.41Å; L127-Y129 HydrophobicContact CD1-CD2 4.37Å; L127-Y129 HydrophobicContact CD1-CE2 3.7Å; L127-Y129 HydrophobicContact CD2-CE1 4.45Å; L127-Y129 PolarHBondContact O-N 2.85Å; L127-Y129 VanDerWaalsContact O-N 3.09Å; L127-L131 HydrophobicContact CD1-CD1 4.21Å; L127-L131 HydrophobicContact CD1-CD2 4.15Å; L127-L131 HydrophobicContact CD1-CG 4.29Å |
| 128 | D | 71.4 | Confident | 86.2 | Confident | 88 Ų | 88 | 31.9 Ų | 31.9 | 47% | 0.471 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -69.7 | -0.1 | 174.5 | -77 | -52.6 | 0 | 0 | 0 | 114.7 | R77 | R77-D128 WeakPolarHBondContact CD-O 3.13Å; R77-D128 IonicContact CZ-OD1 3.93Å; R77-D128 PolarHBondContact NH1-O 3.05Å; R77-D128 IonicContact NH1-OD1 3.75Å; R77-D128 PolarHBondContact NH1-OD1 2.89Å; R77-D128 IonicContact NH2-OD1 2.91Å; R77-D128 PolarHBondContact NH2-OD1 3.02Å |
| 129 | Y | 74.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -136.2 | 157.6 | -174.5 | 55.2 | -96.6 | 0 | 0 | 0 | 113.4 | L127 L131 H145 L152 Y1365 | L127-Y129 HydrophobicContact CB-CD1 4.28Å; L127-Y129 HydrophobicContact CB-CD2 4.46Å; L127-Y129 HydrophobicContact CB-CE1 4.2Å; L127-Y129 HydrophobicContact CB-CE2 4.38Å; L127-Y129 HydrophobicContact CB-CG 4.41Å; L127-Y129 HydrophobicContact CD1-CD2 4.37Å; L127-Y129 HydrophobicContact CD1-CE2 3.7Å; L127-Y129 HydrophobicContact CD2-CE1 4.45Å; L127-Y129 PolarHBondContact O-N 2.85Å; L127-Y129 VanDerWaalsContact O-N 3.09Å; Y129-L131 HydrophobicContact CD2-CD2 4.1Å; Y129-L131 HydrophobicContact CE2-CD2 3.71Å; Y129-H145 AromaticContact CD2-CD2 3.78Å; Y129-H145 AromaticContact CE2-CD2 3.64Å; Y129-H145 AromaticContact CZ-CD2 3.97Å; Y129-L152 HydrophobicContact CE2-CD1 4.04Å; Y129-Y1365 VanDerWaalsContact CB-CE1 3.47Å; Y129-Y1365 HydrophobicContact CG-CD1 4.4Å |
| 130 | R | 85.8 | Confident | 86.1 | Confident | 32 Ų | 32 | 32.4 Ų | 32.4 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 145.9 | 171.6 | -74.3 | -176.9 | 168.7 | -94.9 | -0.6 | 112.7 | E31 I74 G76 S121 H122 Q123 A146 | E31-R130 IonicContact OE1-CZ 3.24Å; E31-R130 IonicContact OE1-NE 2.72Å; E31-R130 PolarHBondContact OE1-NE 3.28Å; E31-R130 IonicContact OE1-NH2 3.07Å; E31-R130 PolarHBondContact OE1-NH2 2.83Å; I74-R130 WeakPolarHBondContact O-CD 3.29Å; G76-R130 WeakPolarHBondContact O-CD 3.19Å; G76-R130 PolarHBondContact O-NE 2.93Å; G76-R130 VanDerWaalsContact O-NE 3.1Å; S121-R130 WeakPolarHBondContact OG-CD 3.5Å; S121-R130 PolarHBondContact OG-NH1 2.87Å; H122-R130 CarbonylContact O-C 3.59Å; H122-R130 WeakPolarHBondContact O-CA 3.37Å; Q123-R130 HydrophobicContact CB-CG 4.09Å; R130-A146 HydrophobicContact CB-CB 3.91Å; R130-A146 VanDerWaalsContact O-CB 3.24Å; R130-A146 WeakPolarHBondContact O-CB 3.35Å; R130-A146 PolarHBondContact O-N 3.33Å; R130-A146 VanDerWaalsContact O-N 3.13Å |
| 131 | L | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 149.1 | 168.6 | -61.8 | -176.8 | 0 | 0 | 0 | 110.4 | S121 H122 T124 L127 Y129 F133 V143 L144 L152 | S121-L131 WeakPolarHBondContact CA-O 3.2Å; H122-L131 PolarHBondContact N-O 3.47Å; H122-L131 PolarHBondContact O-N 3.17Å; T124-L131 HydrophobicContact CG2-CD1 3.47Å; T124-L131 VanDerWaalsContact CG2-CD1 3.47Å; T124-L131 HydrophobicContact CG2-CG 3.9Å; L127-L131 HydrophobicContact CD1-CD1 4.21Å; L127-L131 HydrophobicContact CD1-CD2 4.15Å; L127-L131 HydrophobicContact CD1-CG 4.29Å; Y129-L131 HydrophobicContact CD2-CD2 4.1Å; Y129-L131 HydrophobicContact CE2-CD2 3.71Å; L131-F133 HydrophobicContact CB-CD2 4.19Å; L131-F133 HydrophobicContact CB-CE2 3.74Å; L131-F133 HydrophobicContact CD1-CE2 3.99Å; L131-F133 HydrophobicContact CD1-CZ 4Å; L131-V143 HydrophobicContact CB-CG1 4.23Å; L131-V143 HydrophobicContact CD1-CG1 3.93Å; L131-V143 HydrophobicContact CD2-CG1 4.36Å; L131-V143 HydrophobicContact CG-CG1 4.42Å; L131-L144 WeakPolarHBondContact CA-O 3.21Å; L131-L152 HydrophobicContact CD2-CD1 3.46Å; L131-L152 VanDerWaalsContact CD2-CD1 3.46Å |
| 132 | L | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.8 | 164.5 | -66.2 | 169.9 | 0 | 0 | 0 | 107.6 | C73 F87 I119 L144 A146 L149 | C73-L132 HydrophobicContact CB-CD2 3.82Å; F87-L132 HydrophobicContact CB-CD1 4.12Å; F87-L132 HydrophobicContact CB-CD2 4.4Å; F87-L132 HydrophobicContact CD1-CD1 3.92Å; F87-L132 HydrophobicContact CD1-CD2 4.13Å; F87-L132 HydrophobicContact CD2-CD1 3.45Å; F87-L132 VanDerWaalsContact CD2-CD1 3.45Å; F87-L132 HydrophobicContact CE1-CD1 4.15Å; F87-L132 HydrophobicContact CE2-CD1 3.7Å; F87-L132 HydrophobicContact CG-CD1 3.54Å; F87-L132 HydrophobicContact CG-CD2 4.25Å; F87-L132 HydrophobicContact CZ-CD1 4.03Å; I119-L132 HydrophobicContact CG2-CB 4.25Å; I119-L132 HydrophobicContact CG2-CD2 4.05Å; L132-L144 HydrophobicContact CB-CB 4.29Å; L132-L144 PolarHBondContact N-O 3.12Å; L132-L144 PolarHBondContact O-N 3.38Å; L132-A146 HydrophobicContact CD1-CB 4.23Å; L132-A146 HydrophobicContact CD2-CB 4.46Å; L132-A146 HydrophobicContact CG-CB 3.87Å; L132-L149 HydrophobicContact CD1-CD2 4.43Å |
| 133 | F | 95.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.1 | 169 | -69.1 | -100.3 | 0 | 0 | 0 | 107.8 | I119 K120 H122 L131 I141 V143 L155 F167 V169 V180 L194 | I119-F133 CarbonylContact C-O 3.45Å; I119-F133 WeakPolarHBondContact CA-O 3.24Å; K120-F133 PolarHBondContact N-O 3.3Å; K120-F133 PolarHBondContact O-N 2.8Å; H122-F133 HydrophobicContact CB-CD2 4.09Å; H122-F133 HydrophobicContact CB-CE2 3.91Å; L131-F133 HydrophobicContact CB-CD2 4.19Å; L131-F133 HydrophobicContact CB-CE2 3.74Å; L131-F133 HydrophobicContact CD1-CE2 3.99Å; L131-F133 HydrophobicContact CD1-CZ 4Å; F133-I141 HydrophobicContact CB-CG2 4.06Å; F133-I141 HydrophobicContact CD1-CG2 4.1Å; F133-V143 HydrophobicContact CD1-CG1 4.35Å; F133-V143 HydrophobicContact CD1-CG2 3.58Å; F133-V143 HydrophobicContact CE1-CG1 4.12Å; F133-V143 HydrophobicContact CE1-CG2 3.63Å; F133-V143 HydrophobicContact CG-CG2 4.42Å; F133-V143 HydrophobicContact CZ-CG1 4.2Å; F133-V143 HydrophobicContact CZ-CG2 4.5Å; F133-L155 HydrophobicContact CD1-CD1 4.44Å; F133-L155 HydrophobicContact CE1-CD1 4.19Å; F133-F167 HydrophobicContact CB-CD2 4.33Å; F133-F167 HydrophobicContact CB-CE1 4.38Å; F133-F167 HydrophobicContact CB-CE2 3.36Å; F133-F167 HydrophobicContact CB-CZ 3.4Å; F133-F167 VanDerWaalsContact CB-CZ 3.4Å; F133-F167 HydrophobicContact CG-CE2 4.19Å; F133-F167 VanDerWaalsContact O-CZ 3.3Å; F133-F167 WeakPolarHBondContact O-CZ 3.41Å; F133-V169 HydrophobicContact CD1-CG2 4.4Å; F133-V169 HydrophobicContact CD2-CG2 4.05Å; F133-V169 HydrophobicContact CE1-CG2 4.46Å; F133-V169 HydrophobicContact CE2-CG2 4.12Å; F133-V169 HydrophobicContact CG-CG2 4.21Å; F133-V169 HydrophobicContact CZ-CG2 4.33Å; F133-V180 HydrophobicContact CE1-CG2 3.93Å; F133-V180 HydrophobicContact CZ-CG2 4.47Å; F133-L194 HydrophobicContact CE1-CD1 3.94Å; F133-L194 HydrophobicContact CZ-CD1 3.67Å |
| 134 | C | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.3 | -177.3 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | H116 I119 Y138 I141 V142 L144 | H116-C134 HydrophobicContact CB-CB 4.42Å; H116-C134 WeakPolarHBondContact ND1-CB 3.36Å; I119-C134 HydrophobicContact CG1-CB 4.17Å; C134-Y138 VanDerWaalsContact C-OH 3.26Å; C134-Y138 PolarHBondContact O-OH 3.45Å; C134-I141 CarbonylContact O-C 3.38Å; C134-I141 WeakPolarHBondContact O-CA 3.49Å; C134-I141 WeakPolarHBondContact O-CG2 3.34Å; C134-V142 PolarHBondContact N-O 3.41Å; C134-V142 PolarHBondContact O-N 2.88Å; C134-L144 HydrophobicContact CB-CD1 4.33Å; C134-L144 WeakPolarHBondContact SG-CD1 3.28Å |
| 135 | C | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 178.2 | 166.4 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | H116 T117 Y118 Y138 I164 F167 | H116-C135 CarbonylContact C-O 3.53Å; H116-C135 VanDerWaalsContact CA-O 3.26Å; H116-C135 WeakPolarHBondContact CA-O 3.39Å; T117-C135 PolarHBondContact N-O 2.98Å; Y118-C135 PolarHBondContact O-N 2.93Å; C135-Y138 VanDerWaalsContact C-CZ 3.46Å; C135-Y138 WeakPolarHBondContact CA-OH 3.36Å; C135-Y138 PolarHBondContact N-OH 3.36Å; C135-Y138 PolarHBondContact O-OH 3.35Å; C135-I164 HydrophobicContact CB-CB 3.89Å; C135-I164 HydrophobicContact CB-CG2 3.77Å; C135-I164 VanDerWaalsContact CB-O 3.29Å; C135-I164 WeakPolarHBondContact CB-O 3.48Å; C135-I164 PolarHBondContact SG-O 3.23Å; C135-F167 HydrophobicContact CB-CD1 4.02Å; C135-F167 HydrophobicContact CB-CE1 4.18Å |
| 136 | G | 89.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -150.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T117 Y138 | T117-G136 WeakPolarHBondContact OG1-CA 3.26Å; G136-Y138 PolarHBondContact O-N 3.26Å |
| 137 | Q | 87.2 | Confident | 88 | Confident | 88 Ų | 88 | 19.8 Ų | 19.8 | 41% | 0.411 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -77.2 | 48 | -178.4 | -58 | -169.8 | -54.3 | 0 | 0 | 112.1 | R115 T117 W163 | R115-Q137 VanDerWaalsContact CD-OE1 3.3Å; R115-Q137 PolarHBondContact O-N 2.69Å; T117-Q137 HydrophobicContact CG2-CG 4.35Å; Q137-W163 HydrophobicContact CB-CD2 4.43Å; Q137-W163 HydrophobicContact CB-CH2 4.34Å; Q137-W163 HydrophobicContact CB-CZ2 4.17Å; Q137-W163 HydrophobicContact CG-CH2 4.42Å; Q137-W163 HydrophobicContact CG-CZ3 4.31Å |
| 138 | Y | 90.3 | Very high | 88.1 | Confident | 21 Ų | 21 | 20 Ų | 20 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -160.2 | 152.9 | -177.4 | 51.8 | -83.2 | 0 | 0 | 0 | 110.7 | Y114 R115 H116 C134 C135 G136 H140 V142 | Y114-Y138 HydrophobicContact CD1-CD1 4.22Å; Y114-Y138 HydrophobicContact CD1-CD2 4.1Å; Y114-Y138 HydrophobicContact CD1-CE1 4.46Å; Y114-Y138 HydrophobicContact CD1-CE2 4.31Å; Y114-Y138 HydrophobicContact CD1-CG 4.08Å; Y114-Y138 HydrophobicContact CE1-CD2 4.46Å; R115-Y138 WeakPolarHBondContact O-CE1 3.43Å; H116-Y138 AromaticContact ND1-CE1 3.96Å; H116-Y138 AromaticContact ND1-CZ 3.6Å; H116-Y138 PolarHBondContact ND1-OH 2.96Å; C134-Y138 VanDerWaalsContact C-OH 3.26Å; C134-Y138 PolarHBondContact O-OH 3.45Å; C135-Y138 VanDerWaalsContact C-CZ 3.46Å; C135-Y138 WeakPolarHBondContact CA-OH 3.36Å; C135-Y138 PolarHBondContact N-OH 3.36Å; C135-Y138 PolarHBondContact O-OH 3.35Å; G136-Y138 PolarHBondContact O-N 3.26Å; Y138-H140 VanDerWaalsContact C-N 3.34Å; Y138-H140 AromaticContact CD2-CD2 3.84Å; Y138-H140 AromaticContact CD2-NE2 3.86Å; Y138-H140 VanDerWaalsContact CD2-O 3.22Å; Y138-H140 WeakPolarHBondContact CD2-O 3.21Å; Y138-H140 WeakPolarHBondContact CE2-O 3.11Å; Y138-H140 PolarHBondContact O-N 3.09Å; Y138-V142 HydrophobicContact CD2-CG2 4.41Å; Y138-V142 HydrophobicContact CE2-CG2 3.78Å |
| 139 | A | 88.3 | Confident | 88.8 | Confident | 24 Ų | 24 | 16 Ų | 16 | 20% | 0.198 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -90.7 | 36.5 | -165 | 0 | 0 | 0 | 0 | 0 | 115.8 | P161 D162 | A139-P161 VanDerWaalsContact CB-C 3.5Å; A139-P161 HydrophobicContact CB-CB 3.84Å; A139-D162 VanDerWaalsContact CA-O 3.23Å; A139-D162 WeakPolarHBondContact CA-O 3.46Å; A139-D162 WeakPolarHBondContact CB-O 3.48Å |
| 140 | H | 90.7 | Very high | 89.2 | Confident | 47 Ų | 47 | 15.7 Ų | 15.7 | 22% | 0.218 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 162.7 | -179.9 | 46.2 | -89 | 0 | 0 | 0 | 110.6 | Y114 Y138 L155 | Y114-H140 AromaticContact CE1-NE2 3.26Å; Y114-H140 VanDerWaalsContact CE1-NE2 3.26Å; Y114-H140 WeakPolarHBondContact CE1-NE2 3.49Å; Y114-H140 AromaticContact CZ-NE2 3.81Å; Y138-H140 VanDerWaalsContact C-N 3.34Å; Y138-H140 AromaticContact CD2-CD2 3.84Å; Y138-H140 AromaticContact CD2-NE2 3.86Å; Y138-H140 VanDerWaalsContact CD2-O 3.22Å; Y138-H140 WeakPolarHBondContact CD2-O 3.21Å; Y138-H140 WeakPolarHBondContact CE2-O 3.11Å; Y138-H140 PolarHBondContact O-N 3.09Å; H140-L155 CarbonylContact C-O 3.47Å; H140-L155 VanDerWaalsContact CA-O 3.29Å; H140-L155 WeakPolarHBondContact CA-O 3.37Å; H140-L155 WeakPolarHBondContact CB-O 3.44Å |
| 141 | I | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 123.2 | 169.8 | -51.4 | 176.1 | 0 | 0 | 0 | 108 | F133 C134 T154 L155 I164 F167 V180 W192 | F133-I141 HydrophobicContact CB-CG2 4.06Å; F133-I141 HydrophobicContact CD1-CG2 4.1Å; C134-I141 CarbonylContact O-C 3.38Å; C134-I141 WeakPolarHBondContact O-CA 3.49Å; C134-I141 WeakPolarHBondContact O-CG2 3.34Å; I141-T154 CarbonylContact O-C 3.55Å; I141-T154 WeakPolarHBondContact O-CA 3.28Å; I141-L155 HydrophobicContact CB-CB 4.14Å; I141-L155 HydrophobicContact CB-CD1 4.45Å; I141-L155 PolarHBondContact N-O 2.92Å; I141-L155 PolarHBondContact O-N 3.08Å; I141-I164 HydrophobicContact CD1-CG2 4.29Å; I141-I164 HydrophobicContact CG1-CB 4.49Å; I141-I164 HydrophobicContact CG1-CG1 4.36Å; I141-I164 HydrophobicContact CG1-CG2 4.07Å; I141-F167 HydrophobicContact CD1-CB 3.88Å; I141-F167 HydrophobicContact CD1-CD1 4.28Å; I141-F167 HydrophobicContact CD1-CG 3.97Å; I141-V180 HydrophobicContact CD1-CG1 3.88Å; I141-W192 HydrophobicContact CD1-CE3 4.33Å; I141-W192 HydrophobicContact CD1-CH2 4.13Å; I141-W192 HydrophobicContact CD1-CZ3 3.68Å; I141-W192 HydrophobicContact CG1-CH2 4.37Å; I141-W192 HydrophobicContact CG1-CZ3 4.4Å |
| 142 | V | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.3 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | Y114 C134 Y138 L144 V151 T154 | Y114-V142 HydrophobicContact CD1-CG2 4.12Å; Y114-V142 HydrophobicContact CD2-CG2 4.16Å; Y114-V142 HydrophobicContact CE1-CG2 3.91Å; Y114-V142 HydrophobicContact CE2-CG1 4.43Å; Y114-V142 HydrophobicContact CE2-CG2 3.94Å; Y114-V142 HydrophobicContact CG-CG2 4.23Å; C134-V142 PolarHBondContact N-O 3.41Å; C134-V142 PolarHBondContact O-N 2.88Å; Y138-V142 HydrophobicContact CD2-CG2 4.41Å; Y138-V142 HydrophobicContact CE2-CG2 3.78Å; V142-L144 HydrophobicContact CG1-CD1 3.82Å; V142-L144 HydrophobicContact CG1-CG 4.1Å; V142-V151 HydrophobicContact CG1-CG1 4Å; V142-V151 HydrophobicContact CG1-CG2 3.98Å; V142-T154 HydrophobicContact CG2-CG2 4.2Å |
| 143 | V | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.3 | 178.9 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | L131 F133 L152 F153 L155 | L131-V143 HydrophobicContact CB-CG1 4.23Å; L131-V143 HydrophobicContact CD1-CG1 3.93Å; L131-V143 HydrophobicContact CD2-CG1 4.36Å; L131-V143 HydrophobicContact CG-CG1 4.42Å; F133-V143 HydrophobicContact CD1-CG1 4.35Å; F133-V143 HydrophobicContact CD1-CG2 3.58Å; F133-V143 HydrophobicContact CE1-CG1 4.12Å; F133-V143 HydrophobicContact CE1-CG2 3.63Å; F133-V143 HydrophobicContact CG-CG2 4.42Å; F133-V143 HydrophobicContact CZ-CG1 4.2Å; F133-V143 HydrophobicContact CZ-CG2 4.5Å; V143-L152 PolarHBondContact O-N 3.18Å; V143-F153 HydrophobicContact CB-CD2 3.9Å; V143-F153 HydrophobicContact CB-CE1 4.46Å; V143-F153 HydrophobicContact CB-CE2 3.74Å; V143-F153 HydrophobicContact CB-CG 4.35Å; V143-F153 HydrophobicContact CB-CZ 4.04Å; V143-F153 HydrophobicContact CG1-CE1 4.15Å; V143-F153 HydrophobicContact CG1-CE2 3.94Å; V143-F153 HydrophobicContact CG1-CZ 3.74Å; V143-F153 HydrophobicContact CG2-CD2 3.83Å; V143-F153 HydrophobicContact CG2-CE2 3.52Å; V143-F153 HydrophobicContact CG2-CZ 4.2Å; V143-F153 PolarHBondContact N-O 2.97Å; V143-L155 HydrophobicContact CG2-CD1 4.39Å; V143-L155 HydrophobicContact CG2-CG 4.18Å |
| 144 | L | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.8 | -179.8 | -67 | 120.2 | 0 | 0 | 0 | 111.4 | M95 L131 L132 C134 V142 L149 A150 V151 | M95-L144 HydrophobicContact CE-CD1 3.93Å; M95-L144 HydrophobicContact CE-CD2 4.36Å; L131-L144 WeakPolarHBondContact CA-O 3.21Å; L132-L144 HydrophobicContact CB-CB 4.29Å; L132-L144 PolarHBondContact N-O 3.12Å; L132-L144 PolarHBondContact O-N 3.38Å; C134-L144 HydrophobicContact CB-CD1 4.33Å; C134-L144 WeakPolarHBondContact SG-CD1 3.28Å; V142-L144 HydrophobicContact CG1-CD1 3.82Å; V142-L144 HydrophobicContact CG1-CG 4.1Å; L144-L149 WeakPolarHBondContact CD2-O 3.4Å; L144-A150 WeakPolarHBondContact CA-O 3.45Å; L144-V151 HydrophobicContact CD2-CG2 3.78Å; L144-V151 HydrophobicContact CG-CG2 4.2Å |
| 145 | H | 86.1 | Confident | 88.7 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.4 | 171.6 | 174.6 | -59.1 | 0 | 0 | 0 | 110.3 | Y129 T147 S148 L149 A150 L152 Y1365 | Y129-H145 AromaticContact CD2-CD2 3.78Å; Y129-H145 AromaticContact CE2-CD2 3.64Å; Y129-H145 AromaticContact CZ-CD2 3.97Å; H145-T147 PolarHBondContact CE1-OG1 2.98Å; H145-T147 VanDerWaalsContact CE1-OG1 3.24Å; H145-T147 PolarHBondContact O-N 2.65Å; H145-T147 VanDerWaalsContact O-N 3.13Å; H145-S148 WeakPolarHBondContact CB-OG 3.47Å; H145-S148 PolarHBondContact CE1-OG 3.47Å; H145-S148 VanDerWaalsContact CG-OG 3.25Å; H145-S148 PolarHBondContact ND1-N 3.29Å; H145-S148 PolarHBondContact ND1-OG 3.36Å; H145-S148 PolarHBondContact O-N 3.47Å; H145-L149 PolarHBondContact O-N 3.22Å; H145-A150 PolarHBondContact N-O 3.03Å; H145-L152 HydrophobicContact CB-CD1 4.08Å; H145-L152 HydrophobicContact CB-CD2 3.99Å; H145-L152 HydrophobicContact CB-CG 4.02Å; H145-Y1365 AromaticContact CE1-CD1 3.2Å; H145-Y1365 WeakPolarHBondContact CE1-CD1 3.31Å; H145-Y1365 AromaticContact CE1-CE1 3.88Å; H145-Y1365 AromaticContact CE1-CG 3.91Å; H145-Y1365 AromaticContact NE2-CD1 3.52Å |
| 146 | A | 87.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -34.4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | A75 V97 R130 L132 | A75-A146 HydrophobicContact CB-CB 4.02Å; V97-A146 WeakPolarHBondContact CG2-O 3.46Å; R130-A146 HydrophobicContact CB-CB 3.91Å; R130-A146 VanDerWaalsContact O-CB 3.24Å; R130-A146 WeakPolarHBondContact O-CB 3.35Å; R130-A146 PolarHBondContact O-N 3.33Å; R130-A146 VanDerWaalsContact O-N 3.13Å; L132-A146 HydrophobicContact CD1-CB 4.23Å; L132-A146 HydrophobicContact CD2-CB 4.46Å; L132-A146 HydrophobicContact CG-CB 3.87Å |
| 147 | T | 82.7 | Confident | 88.4 | Confident | 17 Ų | 17 | 19.7 Ų | 19.7 | 10% | 0.104 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -25.8 | -178.8 | 52.1 | 0 | 0 | 0 | 0 | 115.5 | A75 F85 V97 H145 Y1365 | A75-T147 HydrophobicContact CB-CG2 4.13Å; F85-T147 HydrophobicContact CD2-CG2 3.99Å; V97-T147 HydrophobicContact CG1-CG2 4.31Å; H145-T147 PolarHBondContact CE1-OG1 2.98Å; H145-T147 VanDerWaalsContact CE1-OG1 3.24Å; H145-T147 PolarHBondContact O-N 2.65Å; H145-T147 VanDerWaalsContact O-N 3.13Å; T147-Y1365 HydrophobicContact CG2-CE1 4.01Å; T147-Y1365 HydrophobicContact CG2-CE2 4.07Å; T147-Y1365 WeakPolarHBondContact CG2-OH 3.29Å; T147-Y1365 WeakPolarHBondContact OG1-CD1 3.41Å; T147-Y1365 WeakPolarHBondContact OG1-CE1 3.48Å |
| 148 | S | 76.6 | Confident | 88 | Confident | 44 Ų | 44 | 20.8 Ų | 20.8 | 31% | 0.308 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -13.3 | -175.7 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | H145 A150 | H145-S148 WeakPolarHBondContact CB-OG 3.47Å; H145-S148 PolarHBondContact CE1-OG 3.47Å; H145-S148 VanDerWaalsContact CG-OG 3.25Å; H145-S148 PolarHBondContact ND1-N 3.29Å; H145-S148 PolarHBondContact ND1-OG 3.36Å; H145-S148 PolarHBondContact O-N 3.47Å; S148-A150 PolarHBondContact O-N 2.83Å |
| 149 | L | 85.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | trans | 56.8 | 20.4 | -179.3 | -49.7 | 179.4 | 0 | 0 | 0 | 114.1 | F87 M95 V97 K109 L132 L144 H145 | F87-L149 HydrophobicContact CD2-CD2 3.7Å; F87-L149 HydrophobicContact CE2-CD2 3.62Å; M95-L149 HydrophobicContact CB-CD1 3.77Å; V97-L149 HydrophobicContact CG2-CD1 4.21Å; V97-L149 HydrophobicContact CG2-CD2 3.83Å; V97-L149 HydrophobicContact CG2-CG 4.04Å; K109-L149 HydrophobicContact CB-CD1 3.89Å; K109-L149 HydrophobicContact CD-CB 3.81Å; K109-L149 PolarHBondContact NZ-O 2.87Å; L132-L149 HydrophobicContact CD1-CD2 4.43Å; L144-L149 WeakPolarHBondContact CD2-O 3.4Å; H145-L149 PolarHBondContact O-N 3.22Å | ||
| 150 | A | 82.5 | Confident | 86.2 | Confident | 40 Ų | 40 | 27.9 Ų | 27.9 | 33% | 0.331 | 16% | 0.162 | S | C | . | . | trans | -74.5 | 132.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L144 H145 S148 L152 | L144-A150 WeakPolarHBondContact CA-O 3.45Å; H145-A150 PolarHBondContact N-O 3.03Å; S148-A150 PolarHBondContact O-N 2.83Å; A150-L152 PolarHBondContact O-N 2.8Å | ||
| 151 | V | 85.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 30.7 Ų | 30.7 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.2 | 165.4 | 178.8 | 0 | 0 | 0 | 0 | 107.1 | V142 L144 | V142-V151 HydrophobicContact CG1-CG1 4Å; V142-V151 HydrophobicContact CG1-CG2 3.98Å; L144-V151 HydrophobicContact CD2-CG2 3.78Å; L144-V151 HydrophobicContact CG-CG2 4.2Å |
| 152 | L | 86.8 | Confident | 85.2 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -59.5 | 174.3 | -61 | -174.7 | 0 | 0 | 0 | 109.8 | Y129 L131 V143 H145 A150 Q200 G201 | Y129-L152 HydrophobicContact CE2-CD1 4.04Å; L131-L152 HydrophobicContact CD2-CD1 3.46Å; L131-L152 VanDerWaalsContact CD2-CD1 3.46Å; V143-L152 PolarHBondContact O-N 3.18Å; H145-L152 HydrophobicContact CB-CD1 4.08Å; H145-L152 HydrophobicContact CB-CD2 3.99Å; H145-L152 HydrophobicContact CB-CG 4.02Å; A150-L152 PolarHBondContact O-N 2.8Å; L152-Q200 HydrophobicContact CD2-CG 4.36Å; L152-Q200 CarbonylContact O-C 3.55Å; L152-Q200 VanDerWaalsContact O-CA 3.29Å; L152-Q200 WeakPolarHBondContact O-CA 3.3Å; L152-G201 PolarHBondContact O-N 3.49Å |
| 153 | F | 91.1 | Very high | 84.9 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 172.8 | -179 | 52.1 | -93.2 | 0 | 0 | 0 | 109.9 | V143 L155 L194 E198 E202 | V143-F153 HydrophobicContact CB-CD2 3.9Å; V143-F153 HydrophobicContact CB-CE1 4.46Å; V143-F153 HydrophobicContact CB-CE2 3.74Å; V143-F153 HydrophobicContact CB-CG 4.35Å; V143-F153 HydrophobicContact CB-CZ 4.04Å; V143-F153 HydrophobicContact CG1-CE1 4.15Å; V143-F153 HydrophobicContact CG1-CE2 3.94Å; V143-F153 HydrophobicContact CG1-CZ 3.74Å; V143-F153 HydrophobicContact CG2-CD2 3.83Å; V143-F153 HydrophobicContact CG2-CE2 3.52Å; V143-F153 HydrophobicContact CG2-CZ 4.2Å; V143-F153 PolarHBondContact N-O 2.97Å; F153-L155 HydrophobicContact CD2-CD2 4.02Å; F153-L155 HydrophobicContact CE2-CD2 3.95Å; F153-L155 HydrophobicContact CE2-CG 4.47Å; F153-L194 HydrophobicContact CE2-CD2 4.03Å; F153-L194 HydrophobicContact CZ-CD2 4.35Å; F153-E198 HydrophobicContact CD1-CB 3.55Å; F153-E198 HydrophobicContact CD1-CG 4.13Å; F153-E198 HydrophobicContact CD2-CG 4.31Å; F153-E198 HydrophobicContact CE1-CB 3.6Å; F153-E198 HydrophobicContact CE1-CG 3.91Å; F153-E198 HydrophobicContact CE2-CG 4.08Å; F153-E198 HydrophobicContact CG-CB 4.05Å; F153-E198 HydrophobicContact CG-CG 4.33Å; F153-E198 HydrophobicContact CZ-CB 4.12Å; F153-E198 HydrophobicContact CZ-CG 3.88Å; F153-E202 WeakPolarHBondContact CA-O 3.47Å; F153-E202 WeakPolarHBondContact CB-O 3.35Å |
| 154 | T | 92.7 | Very high | 84.7 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.6 | 171.3 | 56.5 | 0 | 0 | 0 | 0 | 111 | I141 V142 E202 A203 K204 | I141-T154 CarbonylContact O-C 3.55Å; I141-T154 WeakPolarHBondContact O-CA 3.28Å; V142-T154 HydrophobicContact CG2-CG2 4.2Å; T154-E202 PolarHBondContact N-O 3.29Å; T154-A203 CarbonylContact O-C 3.52Å; T154-A203 WeakPolarHBondContact O-CA 3.42Å; T154-A203 WeakPolarHBondContact OG1-CB 3.17Å; T154-K204 PolarHBondContact O-N 3.44Å |
| 155 | L | 93.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.6 | 171.9 | -55 | -178.8 | 0 | 0 | 0 | 108.5 | F133 H140 I141 V143 F153 V180 W192 L194 K204 | F133-L155 HydrophobicContact CD1-CD1 4.44Å; F133-L155 HydrophobicContact CE1-CD1 4.19Å; H140-L155 CarbonylContact C-O 3.47Å; H140-L155 VanDerWaalsContact CA-O 3.29Å; H140-L155 WeakPolarHBondContact CA-O 3.37Å; H140-L155 WeakPolarHBondContact CB-O 3.44Å; I141-L155 HydrophobicContact CB-CB 4.14Å; I141-L155 HydrophobicContact CB-CD1 4.45Å; I141-L155 PolarHBondContact N-O 2.92Å; I141-L155 PolarHBondContact O-N 3.08Å; V143-L155 HydrophobicContact CG2-CD1 4.39Å; V143-L155 HydrophobicContact CG2-CG 4.18Å; F153-L155 HydrophobicContact CD2-CD2 4.02Å; F153-L155 HydrophobicContact CE2-CD2 3.95Å; F153-L155 HydrophobicContact CE2-CG 4.47Å; L155-V180 HydrophobicContact CD1-CB 4.09Å; L155-V180 HydrophobicContact CD1-CG1 4.04Å; L155-V180 HydrophobicContact CD1-CG2 3.99Å; L155-W192 HydrophobicContact CB-CD2 3.82Å; L155-W192 HydrophobicContact CB-CE3 4.39Å; L155-W192 HydrophobicContact CB-CG 4.03Å; L155-W192 HydrophobicContact CB-CZ2 4.08Å; L155-W192 HydrophobicContact CD1-CB 4.28Å; L155-W192 HydrophobicContact CD1-CD2 4.23Å; L155-W192 HydrophobicContact CD1-CE3 4.35Å; L155-W192 HydrophobicContact CD1-CG 4.21Å; L155-W192 HydrophobicContact CD2-CB 4.41Å; L155-W192 HydrophobicContact CD2-CG 4.26Å; L155-W192 HydrophobicContact CG-CG 4.41Å; L155-L194 HydrophobicContact CD2-CD2 3.96Å; L155-K204 WeakPolarHBondContact CA-O 3.42Å; L155-K204 HydrophobicContact CD2-CB 3.8Å |
| 156 | A | 90.4 | Very high | 84.6 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 147.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W192 A203 K204 Y205 E206 | A156-W192 PolarHBondContact O-NE1 3.03Å; A156-A203 HydrophobicContact CB-CB 4.45Å; A156-K204 PolarHBondContact N-O 3.28Å; A156-Y205 HydrophobicContact CB-CD1 3.88Å; A156-Y205 HydrophobicContact CB-CE1 3.77Å; A156-Y205 WeakPolarHBondContact O-CA 3.23Å; A156-E206 PolarHBondContact O-N 3.02Å |
| 157 | S | 84.9 | Confident | 84.8 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | trans | -97.9 | 141.6 | 167.9 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | S159 E206 | S157-S159 PolarHBondContact OG-N 2.81Å; S157-S159 PolarHBondContact OG-OG 2.74Å; S157-E206 WeakPolarHBondContact CA-OE2 3.4Å; S157-E206 VanDerWaalsContact CB-OE2 3.25Å; S157-E206 WeakPolarHBondContact CB-OE2 3.49Å; S157-E206 VanDerWaalsContact OG-CD 3.25Å; S157-E206 PolarHBondContact OG-OE1 2.89Å; S157-E206 PolarHBondContact OG-OE2 2.82Å | ||
| 158 | N | 78.4 | Confident | 85.2 | Confident | 111 Ų | 111 | 38.8 Ų | 38.8 | 59% | 0.594 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -103.7 | -25 | 170.7 | -78.6 | -33.5 | 0 | 0 | 0 | 111.9 | Y205 E206 | N158-Y205 VanDerWaalsContact CG-CD1 3.45Å; N158-Y205 WeakPolarHBondContact ND2-CD1 3.46Å; N158-Y205 WeakPolarHBondContact OD1-CD1 3.48Å; N158-Y205 WeakPolarHBondContact OD1-CE1 3.42Å; N158-E206 PolarHBondContact N-OE1 3.07Å |
| 159 | S | 67.9 | Low | 85.8 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -69.7 | -39.5 | -173.2 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | S157 E206 S209 | S157-S159 PolarHBondContact OG-N 2.81Å; S157-S159 PolarHBondContact OG-OG 2.74Å; S159-E206 VanDerWaalsContact CB-OE1 3.3Å; S159-E206 WeakPolarHBondContact CB-OE1 3.36Å; S159-E206 PolarHBondContact N-OE1 2.83Å; S159-E206 VanDerWaalsContact OG-CD 3.25Å; S159-E206 PolarHBondContact OG-OE1 2.94Å; S159-E206 PolarHBondContact OG-OE2 2.87Å; S159-E206 VanDerWaalsContact OG-OE2 3.08Å; S159-S209 WeakPolarHBondContact CB-OG 3.44Å; S159-S209 PolarHBondContact OG-OG 3.23Å |
| 160 | Q | 73.5 | Confident | 85.7 | Confident | 135 Ų | 135 | 38.3 Ų | 38.3 | 63% | 0.631 | 22% | 0.216 | S | C | * | . | trans | -162.7 | 126.2 | 159.1 | -116.9 | 170 | -6.4 | 0 | 0 | 111 | D162 | Q160-D162 PolarHBondContact O-N 2.71Š| ||
| 161 | P | 77 | Confident | 85.6 | Confident | 106 Ų | 106 | 38.9 Ų | 38.9 | 69% | 0.688 | 22% | 0.216 | S | C | * | . | trans | -77.2 | 89.9 | -179.9 | 30.7 | -34.5 | 0 | 0 | 0 | 111.6 | A139 | A139-P161 VanDerWaalsContact CB-C 3.5Å; A139-P161 HydrophobicContact CB-CB 3.84Å | ||
| 162 | D | 86.1 | Confident | 84.9 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | trans | -117.1 | 155.9 | 174.1 | -177.9 | 31.3 | 0 | 0 | 0 | 111.6 | A139 Q160 I164 S184 Y185 S186 | A139-D162 VanDerWaalsContact CA-O 3.23Å; A139-D162 WeakPolarHBondContact CA-O 3.46Å; A139-D162 WeakPolarHBondContact CB-O 3.48Å; Q160-D162 PolarHBondContact O-N 2.71Å; D162-I164 PolarHBondContact O-N 2.96Å; D162-S184 WeakPolarHBondContact OD2-CB 3.27Å; D162-S184 PolarHBondContact OD2-OG 2.83Å; D162-Y185 PolarHBondContact OD2-N 2.84Å; D162-S186 VanDerWaalsContact OD2-CB 3.27Å; D162-S186 WeakPolarHBondContact OD2-CB 3.5Å; D162-S186 PolarHBondContact OD2-N 2.59Å; D162-S186 PolarHBondContact OD2-OG 2.87Å | ||
| 163 | W | 88.7 | Confident | 83.9 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | trans | -62.8 | 125.9 | -178.4 | -66.2 | -7 | 0 | 0 | 0 | 111.5 | Q137 S165 S184 Y185 | Q137-W163 HydrophobicContact CB-CD2 4.43Å; Q137-W163 HydrophobicContact CB-CH2 4.34Å; Q137-W163 HydrophobicContact CB-CZ2 4.17Å; Q137-W163 HydrophobicContact CG-CH2 4.42Å; Q137-W163 HydrophobicContact CG-CZ3 4.31Å; W163-S165 PolarHBondContact O-N 3.28Å; W163-S184 CarbonylContact O-C 3.52Å; W163-S184 VanDerWaalsContact O-CA 3.24Å; W163-S184 WeakPolarHBondContact O-CA 3.09Å; W163-Y185 PolarHBondContact O-N 3.4Å | ||
| 164 | I | 89.3 | Confident | 82.7 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 110.6 | 174.3 | -57.7 | -59.4 | 0 | 0 | 0 | 108.6 | C135 I141 D162 L183 W192 | C135-I164 HydrophobicContact CB-CB 3.89Å; C135-I164 HydrophobicContact CB-CG2 3.77Å; C135-I164 VanDerWaalsContact CB-O 3.29Å; C135-I164 WeakPolarHBondContact CB-O 3.48Å; C135-I164 PolarHBondContact SG-O 3.23Å; I141-I164 HydrophobicContact CD1-CG2 4.29Å; I141-I164 HydrophobicContact CG1-CB 4.49Å; I141-I164 HydrophobicContact CG1-CG1 4.36Å; I141-I164 HydrophobicContact CG1-CG2 4.07Å; D162-I164 PolarHBondContact O-N 2.96Å; I164-L183 CarbonylContact C-O 3.58Å; I164-L183 WeakPolarHBondContact CA-O 3.42Å; I164-W192 HydrophobicContact CD1-CH2 4.32Å |
| 165 | S | 86.3 | Confident | 81.4 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -40.2 | -176.5 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | W163 L183 S184 | W163-S165 PolarHBondContact O-N 3.28Å; S165-L183 PolarHBondContact N-O 2.87Å; S165-L183 PolarHBondContact OG-O 2.99Å; S165-L183 VanDerWaalsContact OG-O 3.11Å; S165-S184 PolarHBondContact OG-O 2.82Å |
| 166 | S | 89.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.3 | 179.3 | -159.4 | 0 | 0 | 0 | 0 | 110.6 | L183 V221 | S166-L183 PolarHBondContact N-O 2.7Å; S166-L183 PolarHBondContact O-N 3.42Å; S166-V221 PolarHBondContact OG-N 2.93Å |
| 167 | F | 92 | Very high | 79.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 160.9 | 177.8 | 66.2 | -89.4 | 0 | 0 | 0 | 111.5 | Y118 K120 F133 C135 I141 V169 L181 | Y118-F167 AromaticContact CD1-CD1 3.89Å; Y118-F167 HydrophobicContact CD1-CD1 3.89Å; Y118-F167 AromaticContact CD1-CE1 3.5Å; Y118-F167 HydrophobicContact CD1-CE1 3.5Å; Y118-F167 HydrophobicContact CD1-CZ 4.12Å; Y118-F167 HydrophobicContact CE1-CD1 4.1Å; Y118-F167 AromaticContact CE1-CE1 3.78Å; Y118-F167 HydrophobicContact CE1-CE1 3.78Å; Y118-F167 HydrophobicContact CE1-CZ 4Å; K120-F167 HydrophobicContact CB-CE2 3.71Å; K120-F167 HydrophobicContact CB-CZ 3.58Å; K120-F167 HydrophobicContact CD-CE2 4.41Å; F133-F167 HydrophobicContact CB-CD2 4.33Å; F133-F167 HydrophobicContact CB-CE1 4.38Å; F133-F167 HydrophobicContact CB-CE2 3.36Å; F133-F167 HydrophobicContact CB-CZ 3.4Å; F133-F167 VanDerWaalsContact CB-CZ 3.4Å; F133-F167 HydrophobicContact CG-CE2 4.19Å; F133-F167 VanDerWaalsContact O-CZ 3.3Å; F133-F167 WeakPolarHBondContact O-CZ 3.41Å; C135-F167 HydrophobicContact CB-CD1 4.02Å; C135-F167 HydrophobicContact CB-CE1 4.18Å; I141-F167 HydrophobicContact CD1-CB 3.88Å; I141-F167 HydrophobicContact CD1-CD1 4.28Å; I141-F167 HydrophobicContact CD1-CG 3.97Å; F167-V169 HydrophobicContact CD2-CG2 4.32Å; F167-V169 HydrophobicContact CE2-CG2 4.29Å; F167-L181 CarbonylContact C-O 3.59Å; F167-L181 WeakPolarHBondContact CA-O 3.32Å; F167-L181 WeakPolarHBondContact CB-O 3.36Å |
| 168 | V | 90.2 | Very high | 79.8 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.5 | 171.2 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | V180 L181 V221 C223 I231 | V168-V180 WeakPolarHBondContact O-CA 3.46Å; V168-L181 HydrophobicContact CG1-CB 4.13Å; V168-L181 PolarHBondContact N-O 3.08Å; V168-L181 PolarHBondContact O-N 3.08Å; V168-V221 HydrophobicContact CB-CG1 4.15Å; V168-V221 HydrophobicContact CG1-CG1 3.94Å; V168-C223 HydrophobicContact CG1-CB 4.39Å; V168-C223 HydrophobicContact CG2-CB 3.58Å; V168-I231 HydrophobicContact CG1-CD1 4.39Å |
| 169 | V | 89.2 | Confident | 80.3 | Confident | 18 Ų | 18 | 65 Ų | 65 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 135.4 | 173.8 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | F133 F167 I179 V180 | F133-V169 HydrophobicContact CD1-CG2 4.4Å; F133-V169 HydrophobicContact CD2-CG2 4.05Å; F133-V169 HydrophobicContact CE1-CG2 4.46Å; F133-V169 HydrophobicContact CE2-CG2 4.12Å; F133-V169 HydrophobicContact CG-CG2 4.21Å; F133-V169 HydrophobicContact CZ-CG2 4.33Å; F167-V169 HydrophobicContact CD2-CG2 4.32Å; F167-V169 HydrophobicContact CE2-CG2 4.29Å; V169-I179 CarbonylContact C-O 3.57Å; V169-I179 WeakPolarHBondContact CA-O 3.43Å; V169-V180 HydrophobicContact CG1-CG2 4.31Å; V169-V180 HydrophobicContact CG2-CG1 4.49Å; V169-V180 HydrophobicContact CG2-CG2 4.23Å |
| 170 | V | 84.3 | Confident | 81.4 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 109.9 | -173.8 | 173.1 | 0 | 0 | 0 | 0 | 109.3 | I179 C223 P228 | V170-I179 HydrophobicContact CB-CB 4.37Å; V170-I179 PolarHBondContact N-O 3.32Å; V170-I179 PolarHBondContact O-N 3.3Å; V170-C223 HydrophobicContact CG2-CB 4.5Å; V170-P228 HydrophobicContact CG1-CB 3.62Å; V170-P228 HydrophobicContact CG1-CG 4.34Å |
| 171 | T | 78.9 | Confident | 82.2 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.8 | 171.4 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | H122 C125 E178 | H122-T171 PolarHBondContact CE1-OG1 3Å; H122-T171 VanDerWaalsContact CE1-OG1 3.23Å; H122-T171 PolarHBondContact NE2-OG1 3.17Å; C125-T171 HydrophobicContact CB-CG2 4.02Å; T171-E178 WeakPolarHBondContact CB-OE1 3.43Å; T171-E178 HydrophobicContact CG2-CG 4.23Å; T171-E178 VanDerWaalsContact CG2-OE1 3.28Å; T171-E178 WeakPolarHBondContact CG2-OE1 3.28Å; T171-E178 PolarHBondContact OG1-OE1 3.07Å |
| 172 | H | 72.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 38% | 0.384 | 26% | 0.255 | S | S | . | . | trans | -84.8 | 126.1 | 176.8 | -142.5 | -73.4 | 0 | 0 | 0 | 109.6 | N174 Q175 | H172-N174 PolarHBondContact O-N 2.7Å; H172-Q175 HydrophobicContact CB-CB 4.26Å; H172-Q175 PolarHBondContact O-N 3Å | ||
| 173 | P | 66.4 | Low | 82.9 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 71% | 0.714 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.6 | -169.1 | 21.9 | -34.4 | 0 | 0 | 0 | 115.5 | ||
| 174 | N | 66 | Low | 82.9 | Confident | 152 Ų | 152 | 43.8 Ų | 43.8 | 81% | 0.813 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 9 | -175.1 | -63.3 | -0.8 | 0 | 0 | 0 | 113.5 | H172 | H172-N174 PolarHBondContact O-N 2.7Š|
| 175 | Q | 63.9 | Low | 82.6 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | trans | -132.9 | 151.6 | 179 | -64 | -176.2 | -15.8 | 0 | 0 | 110.3 | H172 N177 | H172-Q175 HydrophobicContact CB-CB 4.26Å; H172-Q175 PolarHBondContact O-N 3Å; Q175-N177 PolarHBondContact O-N 3.44Å | ||
| 176 | R | 69.1 | Low | 82.6 | Confident | 203 Ų | 203 | 52.5 Ų | 52.5 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -77.3 | -10.3 | 173.8 | -74.5 | -175.3 | 172.3 | -179.5 | -3.6 | 113.4 | Y126 | Y126-R176 WeakPolarHBondContact CD1-O 3.41Š|
| 177 | N | 79.3 | Confident | 82.4 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | trans | -88.8 | 142.1 | -176.6 | -63 | 47.8 | 0 | 0 | 0 | 110.3 | Q175 T193 L194 | Q175-N177 PolarHBondContact O-N 3.44Å; N177-T193 HydrophobicContact CB-CG2 4.04Å; N177-L194 CarbonylContact C-O 3.45Å; N177-L194 WeakPolarHBondContact CA-O 3.26Å; N177-L194 VanDerWaalsContact CB-O 3.29Å; N177-L194 WeakPolarHBondContact CB-O 3.3Å | ||
| 178 | E | 86.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 144.2 | 176.2 | -56.6 | -167.5 | 140.2 | 0 | 0 | 109.6 | H122 T124 C125 Y126 T171 L194 | H122-E178 IonicContact CD2-OE2 2.8Å; H122-E178 PolarHBondContact CD2-OE2 3Å; H122-E178 VanDerWaalsContact CD2-OE2 3.24Å; H122-E178 IonicContact CE1-OE1 3.77Å; H122-E178 IonicContact NE2-OE1 2.87Å; H122-E178 PolarHBondContact NE2-OE1 2.91Å; H122-E178 VanDerWaalsContact NE2-OE1 3.07Å; H122-E178 IonicContact NE2-OE2 3.14Å; H122-E178 PolarHBondContact NE2-OE2 3.46Å; T124-E178 WeakPolarHBondContact CA-OE1 3.19Å; T124-E178 WeakPolarHBondContact CA-OE2 3.49Å; T124-E178 WeakPolarHBondContact CB-OE2 3.45Å; T124-E178 WeakPolarHBondContact CG2-OE2 3.28Å; C125-E178 PolarHBondContact N-OE1 3.22Å; C125-E178 VanDerWaalsContact N-OE1 3.11Å; Y126-E178 HydrophobicContact CE1-CG 4.14Å; T171-E178 WeakPolarHBondContact CB-OE1 3.43Å; T171-E178 HydrophobicContact CG2-CG 4.23Å; T171-E178 VanDerWaalsContact CG2-OE1 3.28Å; T171-E178 WeakPolarHBondContact CG2-OE1 3.28Å; T171-E178 PolarHBondContact OG1-OE1 3.07Å; E178-L194 HydrophobicContact CB-CB 4.4Å; E178-L194 PolarHBondContact N-O 2.57Å; E178-L194 PolarHBondContact O-N 3.24Å |
| 179 | I | 88.7 | Confident | 82 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.3 | -176.8 | -63.7 | 174.2 | 0 | 0 | 0 | 108.5 | V169 V170 L191 | V169-I179 CarbonylContact C-O 3.57Å; V169-I179 WeakPolarHBondContact CA-O 3.43Å; V170-I179 HydrophobicContact CB-CB 4.37Å; V170-I179 PolarHBondContact N-O 3.32Å; V170-I179 PolarHBondContact O-N 3.3Å; I179-L191 HydrophobicContact CG2-CD1 3.5Å; I179-L191 HydrophobicContact CG2-CG 4.09Å |
| 180 | V | 91.5 | Very high | 82 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.6 | 172.3 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | F133 I141 L155 V168 V169 L191 W192 L194 | F133-V180 HydrophobicContact CE1-CG2 3.93Å; F133-V180 HydrophobicContact CZ-CG2 4.47Å; I141-V180 HydrophobicContact CD1-CG1 3.88Å; L155-V180 HydrophobicContact CD1-CB 4.09Å; L155-V180 HydrophobicContact CD1-CG1 4.04Å; L155-V180 HydrophobicContact CD1-CG2 3.99Å; V168-V180 WeakPolarHBondContact O-CA 3.46Å; V169-V180 HydrophobicContact CG1-CG2 4.31Å; V169-V180 HydrophobicContact CG2-CG1 4.49Å; V169-V180 HydrophobicContact CG2-CG2 4.23Å; V180-L191 WeakPolarHBondContact O-CA 3.43Å; V180-W192 HydrophobicContact CB-CB 4.39Å; V180-W192 HydrophobicContact CB-CE3 4.31Å; V180-W192 HydrophobicContact CG1-CE3 4.19Å; V180-W192 PolarHBondContact N-O 2.84Å; V180-W192 PolarHBondContact O-N 3.06Å; V180-L194 HydrophobicContact CG2-CD1 3.77Å; V180-L194 HydrophobicContact CG2-CG 4.07Å |
| 181 | L | 90.1 | Very high | 82.3 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.8 | 170.3 | -175.5 | 74.3 | 0 | 0 | 0 | 108.4 | F167 V168 A189 V190 L191 I231 F242 | F167-L181 CarbonylContact C-O 3.59Å; F167-L181 WeakPolarHBondContact CA-O 3.32Å; F167-L181 WeakPolarHBondContact CB-O 3.36Å; V168-L181 HydrophobicContact CG1-CB 4.13Å; V168-L181 PolarHBondContact N-O 3.08Å; V168-L181 PolarHBondContact O-N 3.08Å; L181-A189 HydrophobicContact CD1-CB 4.28Å; L181-V190 CarbonylContact C-O 3.58Å; L181-V190 WeakPolarHBondContact CA-O 3.25Å; L181-L191 HydrophobicContact CB-CD1 4.5Å; L181-L191 HydrophobicContact CD1-CD1 3.86Å; L181-I231 HydrophobicContact CD2-CD1 3.48Å; L181-I231 VanDerWaalsContact CD2-CD1 3.48Å; L181-F242 HydrophobicContact CD2-CE1 4.46Å |
| 182 | G | 90 | Very high | 82.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 152.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A189 V190 | G182-A189 WeakPolarHBondContact O-CA 3.2Å; G182-V190 PolarHBondContact N-O 3.09Å; G182-V190 PolarHBondContact O-N 3.09Å |
| 183 | L | 88.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133 | 173.1 | -85 | 157.4 | 0 | 0 | 0 | 109.4 | I164 S165 S166 L188 A189 I212 I218 V221 L233 | I164-L183 CarbonylContact C-O 3.58Å; I164-L183 WeakPolarHBondContact CA-O 3.42Å; S165-L183 PolarHBondContact N-O 2.87Å; S165-L183 PolarHBondContact OG-O 2.99Å; S165-L183 VanDerWaalsContact OG-O 3.11Å; S166-L183 PolarHBondContact N-O 2.7Å; S166-L183 PolarHBondContact O-N 3.42Å; L183-L188 CarbonylContact C-O 3.53Å; L183-L188 WeakPolarHBondContact CA-O 3.25Å; L183-A189 HydrophobicContact CD2-CB 3.77Å; L183-I212 HydrophobicContact CD2-CD1 3.83Å; L183-I212 HydrophobicContact CD2-CG1 4.38Å; L183-I218 HydrophobicContact CD1-CD1 3.9Å; L183-I218 HydrophobicContact CD2-CD1 3.87Å; L183-I218 HydrophobicContact CG-CD1 4.32Å; L183-V221 HydrophobicContact CD1-CG1 4.38Å; L183-V221 HydrophobicContact CD1-CG2 3.47Å; L183-V221 VanDerWaalsContact CD1-CG2 3.47Å; L183-L233 HydrophobicContact CD1-CD2 3.68Å |
| 184 | S | 88.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 166.6 | -179.5 | 83.9 | 0 | 0 | 0 | 0 | 112.9 | D162 W163 S165 S186 N187 L188 | D162-S184 WeakPolarHBondContact OD2-CB 3.27Å; D162-S184 PolarHBondContact OD2-OG 2.83Å; W163-S184 CarbonylContact O-C 3.52Å; W163-S184 VanDerWaalsContact O-CA 3.24Å; W163-S184 WeakPolarHBondContact O-CA 3.09Å; S165-S184 PolarHBondContact OG-O 2.82Å; S184-S186 PolarHBondContact O-N 2.75Å; S184-S186 PolarHBondContact OG-N 3.43Å; S184-S186 PolarHBondContact OG-OG 2.92Å; S184-N187 WeakPolarHBondContact O-CA 3.49Å; S184-N187 PolarHBondContact O-N 3.48Å; S184-N187 PolarHBondContact OG-N 3.33Å; S184-L188 PolarHBondContact N-O 3.04Å; S184-L188 VanDerWaalsContact OG-CB 3.26Å; S184-L188 WeakPolarHBondContact OG-CB 3.25Å; S184-L188 PolarHBondContact OG-N 3.09Å |
| 185 | Y | 84.3 | Confident | 85.6 | Confident | 138 Ų | 138 | 41.2 Ų | 41.2 | 54% | 0.541 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.4 | 174.1 | -169.8 | -94.4 | 0 | 0 | 0 | 112.8 | D162 W163 N187 T217 | D162-Y185 PolarHBondContact OD2-N 2.84Å; W163-Y185 PolarHBondContact O-N 3.4Å; Y185-N187 VanDerWaalsContact C-N 3.28Å; Y185-N187 PolarHBondContact O-N 3.1Å; Y185-T217 HydrophobicContact CD2-CG2 3.8Å; Y185-T217 HydrophobicContact CE2-CG2 3.91Å; Y185-T217 HydrophobicContact CG-CG2 4.34Å |
| 186 | S | 86.1 | Confident | 86.4 | Confident | 73 Ų | 73 | 37.1 Ų | 37.1 | 51% | 0.51 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 13.3 | 170.8 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | D162 S184 L188 | D162-S186 VanDerWaalsContact OD2-CB 3.27Å; D162-S186 WeakPolarHBondContact OD2-CB 3.5Å; D162-S186 PolarHBondContact OD2-N 2.59Å; D162-S186 PolarHBondContact OD2-OG 2.87Å; S184-S186 PolarHBondContact O-N 2.75Å; S184-S186 PolarHBondContact OG-N 3.43Å; S184-S186 PolarHBondContact OG-OG 2.92Å; S186-L188 VanDerWaalsContact C-N 3.31Å; S186-L188 PolarHBondContact O-N 3.12Å |
| 187 | N | 84.9 | Confident | 86.9 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | trans | 61.9 | 28.4 | -178.4 | -55.6 | -36.3 | 0 | 0 | 0 | 114.7 | S184 Y185 I212 | S184-N187 WeakPolarHBondContact O-CA 3.49Å; S184-N187 PolarHBondContact O-N 3.48Å; S184-N187 PolarHBondContact OG-N 3.33Å; Y185-N187 VanDerWaalsContact C-N 3.28Å; Y185-N187 PolarHBondContact O-N 3.1Å; N187-I212 WeakPolarHBondContact CB-O 3.34Å; N187-I212 PolarHBondContact O-N 3.18Å | ||
| 188 | L | 87.2 | Confident | 87 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.3 | 166.5 | -170.3 | 77.6 | 0 | 0 | 0 | 109.5 | L183 S184 S186 V190 | L183-L188 CarbonylContact C-O 3.53Å; L183-L188 WeakPolarHBondContact CA-O 3.25Å; S184-L188 PolarHBondContact N-O 3.04Å; S184-L188 VanDerWaalsContact OG-CB 3.26Å; S184-L188 WeakPolarHBondContact OG-CB 3.25Å; S184-L188 PolarHBondContact OG-N 3.09Å; S186-L188 VanDerWaalsContact C-N 3.31Å; S186-L188 PolarHBondContact O-N 3.12Å; L188-V190 HydrophobicContact CD2-CG2 3.8Å; L188-V190 HydrophobicContact CG-CG2 4.08Å |
| 189 | A | 87.5 | Confident | 86.4 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L181 G182 L183 S209 R210 I212 | L181-A189 HydrophobicContact CD1-CB 4.28Å; G182-A189 WeakPolarHBondContact O-CA 3.2Å; L183-A189 HydrophobicContact CD2-CB 3.77Å; A189-S209 CarbonylContact O-C 3.6Å; A189-S209 WeakPolarHBondContact O-CA 3.47Å; A189-S209 WeakPolarHBondContact O-CB 3.31Å; A189-R210 WeakPolarHBondContact CA-O 3.37Å; A189-R210 WeakPolarHBondContact CB-O 3.46Å; A189-R210 PolarHBondContact N-O 3.09Å; A189-R210 PolarHBondContact O-N 3.07Å; A189-I212 HydrophobicContact CB-CD1 3.89Å; A189-I212 HydrophobicContact CB-CG1 3.97Å |
| 190 | V | 88.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.4 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | L181 G182 L188 W192 E206 | L181-V190 CarbonylContact C-O 3.58Å; L181-V190 WeakPolarHBondContact CA-O 3.25Å; G182-V190 PolarHBondContact N-O 3.09Å; G182-V190 PolarHBondContact O-N 3.09Å; L188-V190 HydrophobicContact CD2-CG2 3.8Å; L188-V190 HydrophobicContact CG-CG2 4.08Å; V190-W192 HydrophobicContact CB-CH2 3.71Å; V190-W192 HydrophobicContact CB-CZ2 4.19Å; V190-W192 HydrophobicContact CB-CZ3 3.92Å; V190-W192 HydrophobicContact CG1-CD2 4.1Å; V190-W192 HydrophobicContact CG1-CE3 4.1Å; V190-W192 HydrophobicContact CG1-CH2 3.4Å; V190-W192 HydrophobicContact CG1-CZ2 3.36Å; V190-W192 HydrophobicContact CG1-CZ3 3.77Å; V190-E206 HydrophobicContact CG1-CB 3.49Å; V190-E206 VanDerWaalsContact CG1-CB 3.49Å; V190-E206 HydrophobicContact CG1-CG 4.38Å; V190-E206 WeakPolarHBondContact CG1-OE2 3.37Å |
| 191 | L | 89.9 | Confident | 84.9 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.7 | -176.3 | -162.8 | 84.9 | 0 | 0 | 0 | 110.8 | I179 V180 L181 H207 E208 | I179-L191 HydrophobicContact CG2-CD1 3.5Å; I179-L191 HydrophobicContact CG2-CG 4.09Å; V180-L191 WeakPolarHBondContact O-CA 3.43Å; L181-L191 HydrophobicContact CB-CD1 4.5Å; L181-L191 HydrophobicContact CD1-CD1 3.86Å; L191-H207 PolarHBondContact O-N 2.91Å; L191-E208 WeakPolarHBondContact CB-O 3.5Å; L191-E208 PolarHBondContact N-O 3.14Å |
| 192 | W | 91.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 148.4 | 166.2 | -59 | -93.5 | 0 | 0 | 0 | 110.1 | I141 L155 A156 I164 V180 V190 Y205 | I141-W192 HydrophobicContact CD1-CE3 4.33Å; I141-W192 HydrophobicContact CD1-CH2 4.13Å; I141-W192 HydrophobicContact CD1-CZ3 3.68Å; I141-W192 HydrophobicContact CG1-CH2 4.37Å; I141-W192 HydrophobicContact CG1-CZ3 4.4Å; L155-W192 HydrophobicContact CB-CD2 3.82Å; L155-W192 HydrophobicContact CB-CE3 4.39Å; L155-W192 HydrophobicContact CB-CG 4.03Å; L155-W192 HydrophobicContact CB-CZ2 4.08Å; L155-W192 HydrophobicContact CD1-CB 4.28Å; L155-W192 HydrophobicContact CD1-CD2 4.23Å; L155-W192 HydrophobicContact CD1-CE3 4.35Å; L155-W192 HydrophobicContact CD1-CG 4.21Å; L155-W192 HydrophobicContact CD2-CB 4.41Å; L155-W192 HydrophobicContact CD2-CG 4.26Å; L155-W192 HydrophobicContact CG-CG 4.41Å; A156-W192 PolarHBondContact O-NE1 3.03Å; I164-W192 HydrophobicContact CD1-CH2 4.32Å; V180-W192 HydrophobicContact CB-CB 4.39Å; V180-W192 HydrophobicContact CB-CE3 4.31Å; V180-W192 HydrophobicContact CG1-CE3 4.19Å; V180-W192 PolarHBondContact N-O 2.84Å; V180-W192 PolarHBondContact O-N 3.06Å; V190-W192 HydrophobicContact CB-CH2 3.71Å; V190-W192 HydrophobicContact CB-CZ2 4.19Å; V190-W192 HydrophobicContact CB-CZ3 3.92Å; V190-W192 HydrophobicContact CG1-CD2 4.1Å; V190-W192 HydrophobicContact CG1-CE3 4.1Å; V190-W192 HydrophobicContact CG1-CH2 3.4Å; V190-W192 HydrophobicContact CG1-CZ2 3.36Å; V190-W192 HydrophobicContact CG1-CZ3 3.77Å; W192-Y205 VanDerWaalsContact CD1-C 3.42Å |
| 193 | T | 89.3 | Confident | 84.3 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.9 | 169.3 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | N177 K204 | N177-T193 HydrophobicContact CB-CG2 4.04Å; T193-K204 WeakPolarHBondContact O-CE 3.28Å; T193-K204 PolarHBondContact O-NZ 2.96Å |
| 194 | L | 89.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 142.6 | 173.7 | -53.2 | -179.6 | 0 | 0 | 0 | 109.5 | F133 F153 L155 N177 E178 V180 E198 K204 | F133-L194 HydrophobicContact CE1-CD1 3.94Å; F133-L194 HydrophobicContact CZ-CD1 3.67Å; F153-L194 HydrophobicContact CE2-CD2 4.03Å; F153-L194 HydrophobicContact CZ-CD2 4.35Å; L155-L194 HydrophobicContact CD2-CD2 3.96Å; N177-L194 CarbonylContact C-O 3.45Å; N177-L194 WeakPolarHBondContact CA-O 3.26Å; N177-L194 VanDerWaalsContact CB-O 3.29Å; N177-L194 WeakPolarHBondContact CB-O 3.3Å; E178-L194 HydrophobicContact CB-CB 4.4Å; E178-L194 PolarHBondContact N-O 2.57Å; E178-L194 PolarHBondContact O-N 3.24Å; V180-L194 HydrophobicContact CG2-CD1 3.77Å; V180-L194 HydrophobicContact CG2-CG 4.07Å; L194-E198 WeakPolarHBondContact CA-OE1 3.28Å; L194-E198 HydrophobicContact CD2-CG 4.5Å; L194-K204 HydrophobicContact CD2-CD 4.36Å |
| 195 | D | 84.6 | Confident | 84.4 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | trans | -135.4 | -8.3 | -174.6 | 44.5 | 39.9 | 0 | 0 | 0 | 113.2 | E197 E198 K204 | D195-E197 VanDerWaalsContact C-N 3.34Å; D195-E197 PolarHBondContact OD1-N 3.4Å; D195-E197 VanDerWaalsContact OD1-N 3.1Å; D195-E198 PolarHBondContact N-OE1 3.29Å; D195-K204 IonicContact OD1-NZ 2.71Å; D195-K204 PolarHBondContact OD1-NZ 2.76Å; D195-K204 IonicContact OD2-NZ 3.53Å; D195-K204 PolarHBondContact OD2-NZ 3.08Å | ||
| 196 | G | 79.7 | Confident | 84.6 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 84.7 | 2.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | E198 | G196-E198 VanDerWaalsContact C-N 3.29Å; G196-E198 WeakPolarHBondContact CA-OE2 3.27Å; G196-E198 PolarHBondContact N-OE2 2.99Å |
| 197 | E | 79.4 | Confident | 84.6 | Confident | 171 Ų | 171 | 56.7 Ų | 56.7 | 80% | 0.799 | 31% | 0.307 | S | S | * | . | trans | -90.4 | 8.7 | 170.2 | -58.1 | -154.6 | 165 | 0 | 0 | 112.5 | D195 T199 | D195-E197 VanDerWaalsContact C-N 3.34Å; D195-E197 PolarHBondContact OD1-N 3.4Å; D195-E197 VanDerWaalsContact OD1-N 3.1Å; E197-T199 PolarHBondContact O-N 3.39Å | ||
| 198 | E | 82.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 60 Ų | 60 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 119.6 | -177.6 | -67.4 | 85.2 | -155.3 | 0 | 0 | 113.8 | Y126 F153 L194 D195 G196 K204 | Y126-E198 PolarHBondContact OH-OE2 3.46Å; F153-E198 HydrophobicContact CD1-CB 3.55Å; F153-E198 HydrophobicContact CD1-CG 4.13Å; F153-E198 HydrophobicContact CD2-CG 4.31Å; F153-E198 HydrophobicContact CE1-CB 3.6Å; F153-E198 HydrophobicContact CE1-CG 3.91Å; F153-E198 HydrophobicContact CE2-CG 4.08Å; F153-E198 HydrophobicContact CG-CB 4.05Å; F153-E198 HydrophobicContact CG-CG 4.33Å; F153-E198 HydrophobicContact CZ-CB 4.12Å; F153-E198 HydrophobicContact CZ-CG 3.88Å; L194-E198 WeakPolarHBondContact CA-OE1 3.28Å; L194-E198 HydrophobicContact CD2-CG 4.5Å; D195-E198 PolarHBondContact N-OE1 3.29Å; G196-E198 VanDerWaalsContact C-N 3.29Å; G196-E198 WeakPolarHBondContact CA-OE2 3.27Å; G196-E198 PolarHBondContact N-OE2 2.99Å; E198-K204 HydrophobicContact CG-CD 4.07Å; E198-K204 IonicContact OE1-NZ 3.87Å; E198-K204 PolarHBondContact OE1-NZ 3.37Å |
| 199 | T | 73.4 | Confident | 84.7 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 131.8 | -178.5 | 24.3 | 0 | 0 | 0 | 0 | 112.6 | E197 G201 E202 | E197-T199 PolarHBondContact O-N 3.39Å; T199-G201 PolarHBondContact O-N 2.73Å; T199-E202 VanDerWaalsContact CB-OE2 3.28Å; T199-E202 WeakPolarHBondContact CB-OE2 3.35Å; T199-E202 PolarHBondContact O-N 3.04Å; T199-E202 PolarHBondContact OG1-OE2 3.17Å |
| 200 | Q | 74.6 | Confident | 84.6 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 118.6 | 179 | -81.3 | -161 | -57.8 | 0 | 0 | 112 | L152 | L152-Q200 HydrophobicContact CD2-CG 4.36Å; L152-Q200 CarbonylContact O-C 3.55Å; L152-Q200 VanDerWaalsContact O-CA 3.29Å; L152-Q200 WeakPolarHBondContact O-CA 3.3Å |
| 201 | G | 74 | Confident | 84.5 | Confident | 71 Ų | 71 | 71 Ų | 71 | 73% | 0.732 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.1 | -8.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L152 T199 | L152-G201 PolarHBondContact O-N 3.49Å; T199-G201 PolarHBondContact O-N 2.73Å |
| 202 | E | 80.7 | Confident | 84.2 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | trans | -93.4 | 165.2 | -177.8 | -64.8 | -174.6 | 173.1 | 0 | 0 | 112.7 | F153 T154 T199 | F153-E202 WeakPolarHBondContact CA-O 3.47Å; F153-E202 WeakPolarHBondContact CB-O 3.35Å; T154-E202 PolarHBondContact N-O 3.29Å; T199-E202 VanDerWaalsContact CB-OE2 3.28Å; T199-E202 WeakPolarHBondContact CB-OE2 3.35Å; T199-E202 PolarHBondContact O-N 3.04Å; T199-E202 PolarHBondContact OG1-OE2 3.17Å | ||
| 203 | A | 87.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110 | T154 A156 Y205 | T154-A203 CarbonylContact O-C 3.52Å; T154-A203 WeakPolarHBondContact O-CA 3.42Å; T154-A203 WeakPolarHBondContact OG1-CB 3.17Å; A156-A203 HydrophobicContact CB-CB 4.45Å; A203-Y205 HydrophobicContact CB-CE2 4.42Å |
| 204 | K | 89.7 | Confident | 83.3 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 22% | 0.222 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129 | 171.4 | -148.1 | 178 | -160.1 | -178.6 | 0 | 108.8 | T154 L155 A156 T193 L194 D195 E198 | T154-K204 PolarHBondContact O-N 3.44Å; L155-K204 WeakPolarHBondContact CA-O 3.42Å; L155-K204 HydrophobicContact CD2-CB 3.8Å; A156-K204 PolarHBondContact N-O 3.28Å; T193-K204 WeakPolarHBondContact O-CE 3.28Å; T193-K204 PolarHBondContact O-NZ 2.96Å; L194-K204 HydrophobicContact CD2-CD 4.36Å; D195-K204 IonicContact OD1-NZ 2.71Å; D195-K204 PolarHBondContact OD1-NZ 2.76Å; D195-K204 IonicContact OD2-NZ 3.53Å; D195-K204 PolarHBondContact OD2-NZ 3.08Å; E198-K204 HydrophobicContact CG-CD 4.07Å; E198-K204 IonicContact OE1-NZ 3.87Å; E198-K204 PolarHBondContact OE1-NZ 3.37Å |
| 205 | Y | 88.6 | Confident | 82.5 | Confident | 123 Ų | 123 | 80.2 Ų | 80.2 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 160.1 | -178.3 | -67.8 | -79.6 | 0 | 0 | 0 | 112.3 | A156 N158 W192 A203 | A156-Y205 HydrophobicContact CB-CD1 3.88Å; A156-Y205 HydrophobicContact CB-CE1 3.77Å; A156-Y205 WeakPolarHBondContact O-CA 3.23Å; N158-Y205 VanDerWaalsContact CG-CD1 3.45Å; N158-Y205 WeakPolarHBondContact ND2-CD1 3.46Å; N158-Y205 WeakPolarHBondContact OD1-CD1 3.48Å; N158-Y205 WeakPolarHBondContact OD1-CE1 3.42Å; W192-Y205 VanDerWaalsContact CD1-C 3.42Å; A203-Y205 HydrophobicContact CB-CE2 4.42Å |
| 206 | E | 88.5 | Confident | 82.4 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 17% | 0.168 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -62 | 148 | -178.3 | 69.1 | -157.2 | 157.9 | 0 | 0 | 113.7 | A156 S157 N158 S159 V190 | A156-E206 PolarHBondContact O-N 3.02Å; S157-E206 WeakPolarHBondContact CA-OE2 3.4Å; S157-E206 VanDerWaalsContact CB-OE2 3.25Å; S157-E206 WeakPolarHBondContact CB-OE2 3.49Å; S157-E206 VanDerWaalsContact OG-CD 3.25Å; S157-E206 PolarHBondContact OG-OE1 2.89Å; S157-E206 PolarHBondContact OG-OE2 2.82Å; N158-E206 PolarHBondContact N-OE1 3.07Å; S159-E206 VanDerWaalsContact CB-OE1 3.3Å; S159-E206 WeakPolarHBondContact CB-OE1 3.36Å; S159-E206 PolarHBondContact N-OE1 2.83Å; S159-E206 VanDerWaalsContact OG-CD 3.25Å; S159-E206 PolarHBondContact OG-OE1 2.94Å; S159-E206 PolarHBondContact OG-OE2 2.87Å; S159-E206 VanDerWaalsContact OG-OE2 3.08Å; V190-E206 HydrophobicContact CG1-CB 3.49Å; V190-E206 VanDerWaalsContact CG1-CB 3.49Å; V190-E206 HydrophobicContact CG1-CG 4.38Å; V190-E206 WeakPolarHBondContact CG1-OE2 3.37Å |
| 207 | H | 85.6 | Confident | 82.5 | Confident | 142 Ų | 142 | 79.1 Ų | 79.1 | 66% | 0.657 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -91.1 | -38.3 | 174.9 | -111.8 | -66.5 | 0 | 0 | 0 | 112.3 | L191 | L191-H207 PolarHBondContact O-N 2.91Š|
| 208 | E | 86.3 | Confident | 82.9 | Confident | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 148.9 | 174.7 | -174.4 | 171.3 | -173.7 | 0 | 0 | 109 | L191 R210 | L191-E208 WeakPolarHBondContact CB-O 3.5Å; L191-E208 PolarHBondContact N-O 3.14Å; E208-R210 IonicContact OE1-CZ 2.77Å; E208-R210 IonicContact OE1-NE 3.55Å; E208-R210 PolarHBondContact OE1-NE 3.21Å; E208-R210 IonicContact OE1-NH2 3.84Å; E208-R210 PolarHBondContact OE1-NH2 2.86Å |
| 209 | S | 88 | Confident | 82.9 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.9 | 169.3 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | S159 A189 | S159-S209 WeakPolarHBondContact CB-OG 3.44Å; S159-S209 PolarHBondContact OG-OG 3.23Å; A189-S209 CarbonylContact O-C 3.6Å; A189-S209 WeakPolarHBondContact O-CA 3.47Å; A189-S209 WeakPolarHBondContact O-CB 3.31Å |
| 210 | R | 86.3 | Confident | 83.5 | Confident | 126 Ų | 126 | 71.9 Ų | 71.9 | 48% | 0.475 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 145 | -178.7 | -75 | -173.2 | -174.7 | -177.6 | 1.7 | 111.2 | A189 E208 C247 | A189-R210 WeakPolarHBondContact CA-O 3.37Å; A189-R210 WeakPolarHBondContact CB-O 3.46Å; A189-R210 PolarHBondContact N-O 3.09Å; A189-R210 PolarHBondContact O-N 3.07Å; E208-R210 IonicContact OE1-CZ 2.77Å; E208-R210 IonicContact OE1-NE 3.55Å; E208-R210 PolarHBondContact OE1-NE 3.21Å; E208-R210 IonicContact OE1-NH2 3.84Å; E208-R210 PolarHBondContact OE1-NH2 2.86Å; R210-C247 PolarHBondContact NH1-SG 2.95Å |
| 211 | S | 86 | Confident | 84.3 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 72% | 0.72 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.9 | 169.3 | 44.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 212 | I | 83.9 | Confident | 85 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | trans | -105.2 | 134.5 | 170.5 | -54 | -173.3 | 0 | 0 | 0 | 109.3 | L183 N187 A189 C214 L233 F242 I249 | L183-I212 HydrophobicContact CD2-CD1 3.83Å; L183-I212 HydrophobicContact CD2-CG1 4.38Å; N187-I212 WeakPolarHBondContact CB-O 3.34Å; N187-I212 PolarHBondContact O-N 3.18Å; A189-I212 HydrophobicContact CB-CD1 3.89Å; A189-I212 HydrophobicContact CB-CG1 3.97Å; I212-C214 VanDerWaalsContact CG2-SG 3.56Å; I212-C214 PolarHBondContact O-N 2.82Å; I212-C214 VanDerWaalsContact O-N 3.11Å; I212-L233 HydrophobicContact CD1-CD1 4.29Å; I212-L233 HydrophobicContact CG2-CD1 4.3Å; I212-F242 HydrophobicContact CD1-CD1 4.35Å; I212-F242 HydrophobicContact CD1-CD2 3.91Å; I212-F242 HydrophobicContact CD1-CE1 4.04Å; I212-F242 HydrophobicContact CD1-CE2 3.57Å; I212-F242 HydrophobicContact CD1-CG 4.28Å; I212-F242 HydrophobicContact CD1-CZ 3.64Å; I212-F242 HydrophobicContact CG1-CE2 4.1Å; I212-F242 HydrophobicContact CG1-CZ 4.35Å; I212-F242 HydrophobicContact CG2-CD2 4.49Å; I212-I249 HydrophobicContact CG2-CD1 4.21Å | ||
| 213 | N | 81.4 | Confident | 85.3 | Confident | 150 Ų | 150 | 59.7 Ų | 59.7 | 80% | 0.802 | 32% | 0.315 | S | S | * | . | trans | -88.3 | 72.3 | -175.4 | -156.5 | 17.1 | 0 | 0 | 0 | 111.8 | ||||
| 214 | C | 79.2 | Confident | 85.3 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | trans | -90.6 | 146.6 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | I212 S216 I218 Q240 | I212-C214 VanDerWaalsContact CG2-SG 3.56Å; I212-C214 PolarHBondContact O-N 2.82Å; I212-C214 VanDerWaalsContact O-N 3.11Å; C214-S216 VanDerWaalsContact C-N 3.33Å; C214-S216 PolarHBondContact O-N 3.24Å; C214-I218 HydrophobicContact CB-CG1 4.29Å; C214-Q240 PolarHBondContact SG-OE1 2.89Å | ||
| 215 | P | 73.2 | Confident | 84.6 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 61% | 0.61 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -74.2 | -18.3 | -176.1 | 30.6 | -36.6 | 0 | 0 | 0 | 114.5 | ||
| 216 | S | 83 | Confident | 84.1 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -152.3 | 176 | 167.8 | 65 | 0 | 0 | 0 | 0 | 109.4 | C214 I218 C235 S236 S237 | C214-S216 VanDerWaalsContact C-N 3.33Å; C214-S216 PolarHBondContact O-N 3.24Å; S216-I218 PolarHBondContact O-N 2.79Å; S216-C235 PolarHBondContact O-SG 3.3Å; S216-C235 WeakPolarHBondContact OG-CB 3.48Å; S216-S236 PolarHBondContact OG-OG 3.44Å; S216-S237 PolarHBondContact OG-OG 3.36Å |
| 217 | T | 81.9 | Confident | 83.7 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | trans | -57.2 | 134.9 | 178.6 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | Y185 | Y185-T217 HydrophobicContact CD2-CG2 3.8Å; Y185-T217 HydrophobicContact CE2-CG2 3.91Å; Y185-T217 HydrophobicContact CG-CG2 4.34Å | ||
| 218 | I | 86.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.9 | 175 | -55.7 | 162.2 | 0 | 0 | 0 | 109.3 | L183 C214 S216 V221 L233 | L183-I218 HydrophobicContact CD1-CD1 3.9Å; L183-I218 HydrophobicContact CD2-CD1 3.87Å; L183-I218 HydrophobicContact CG-CD1 4.32Å; C214-I218 HydrophobicContact CB-CG1 4.29Å; S216-I218 PolarHBondContact O-N 2.79Å; I218-V221 HydrophobicContact CG2-CG2 3.82Å; I218-L233 HydrophobicContact CD1-CD1 4.16Å; I218-L233 HydrophobicContact CD1-CD2 4.43Å; I218-L233 HydrophobicContact CG2-CB 4.41Å |
| 219 | I | 82.5 | Confident | 83 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -48.7 | -178.7 | -60.5 | 175.3 | 0 | 0 | 0 | 110.7 | V234 L261 | I219-V234 PolarHBondContact N-O 3.29Å; I219-L261 WeakPolarHBondContact CD1-O 3.47Å |
| 220 | Q | 87.3 | Confident | 83 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.1 | -179.1 | -174.8 | 176.6 | -15.5 | 0 | 0 | 110.7 | V234 G264 Y275 | Q220-V234 HydrophobicContact CB-CB 4.47Å; Q220-V234 PolarHBondContact N-O 2.89Å; Q220-V234 PolarHBondContact O-N 2.87Å; Q220-G264 PolarHBondContact NE2-O 2.81Å; Q220-Y275 PolarHBondContact NE2-OH 3.49Å; Q220-Y275 PolarHBondContact OE1-OH 3.48Å |
| 221 | V | 89.7 | Confident | 83.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.6 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | S166 V168 L183 I218 I231 L232 L233 | S166-V221 PolarHBondContact OG-N 2.93Å; V168-V221 HydrophobicContact CB-CG1 4.15Å; V168-V221 HydrophobicContact CG1-CG1 3.94Å; L183-V221 HydrophobicContact CD1-CG1 4.38Å; L183-V221 HydrophobicContact CD1-CG2 3.47Å; L183-V221 VanDerWaalsContact CD1-CG2 3.47Å; I218-V221 HydrophobicContact CG2-CG2 3.82Å; V221-I231 HydrophobicContact CG1-CG2 3.61Å; V221-L232 WeakPolarHBondContact CA-O 3.19Å; V221-L233 HydrophobicContact CG1-CD2 4.17Å; V221-L233 HydrophobicContact CG2-CD2 4.06Å |
| 222 | D | 88.9 | Confident | 83.4 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 156.6 | 171.3 | -168.5 | 35.9 | 0 | 0 | 0 | 111.5 | I231 L232 S265 F266 | D222-I231 CarbonylContact O-C 3.47Å; D222-I231 WeakPolarHBondContact O-CA 3.32Å; D222-I231 WeakPolarHBondContact O-CG2 3.32Å; D222-L232 PolarHBondContact N-O 2.86Å; D222-L232 PolarHBondContact O-N 3.09Å; D222-S265 VanDerWaalsContact OD2-CA 3.25Å; D222-S265 WeakPolarHBondContact OD2-CA 3.31Å; D222-F266 PolarHBondContact OD2-N 2.74Å |
| 223 | C | 87.9 | Confident | 83.8 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.9 | -171.4 | 179.9 | 0 | 0 | 0 | 0 | 111 | V168 V170 P225 P228 I231 | V168-C223 HydrophobicContact CG1-CB 4.39Å; V168-C223 HydrophobicContact CG2-CB 3.58Å; V170-C223 HydrophobicContact CG2-CB 4.5Å; C223-P225 VanDerWaalsContact O-CD 3.26Å; C223-P225 WeakPolarHBondContact O-CD 3.41Å; C223-P228 WeakPolarHBondContact SG-CA 3.44Å; C223-P228 PolarHBondContact SG-O 3.02Å; C223-I231 HydrophobicContact CB-CG1 4.49Å |
| 224 | C | 85.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -65.4 | 117 | -177.5 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | Q226 T227 P228 C230 F266 | C224-Q226 PolarHBondContact O-N 2.65Å; C224-Q226 VanDerWaalsContact O-N 3.09Å; C224-T227 CarbonylContact O-C 3.56Å; C224-T227 VanDerWaalsContact O-C 3.24Å; C224-T227 PolarHBondContact O-N 2.63Å; C224-T227 VanDerWaalsContact O-N 3.17Å; C224-T227 PolarHBondContact SG-OG1 2.86Å; C224-P228 WeakPolarHBondContact O-CA 3.34Å; C224-C230 HydrophobicContact CB-CB 4.13Å; C224-C230 WeakPolarHBondContact CB-O 3.49Å; C224-C230 PolarHBondContact N-O 3.04Å; C224-F266 HydrophobicContact CB-CD1 3.97Å; C224-F266 HydrophobicContact CB-CD2 4.14Å; C224-F266 HydrophobicContact CB-CE1 3.78Å; C224-F266 HydrophobicContact CB-CE2 3.95Å; C224-F266 HydrophobicContact CB-CG 4.15Å; C224-F266 HydrophobicContact CB-CZ 3.77Å | ||
| 225 | P | 75.6 | Confident | 84.7 | Confident | 109 Ų | 109 | 35.7 Ų | 35.7 | 71% | 0.708 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -25.4 | -172.2 | -26.4 | 35.5 | 0 | 0 | 0 | 115.2 | C223 | C223-P225 VanDerWaalsContact O-CD 3.26Å; C223-P225 WeakPolarHBondContact O-CD 3.41Å |
| 226 | Q | 77.5 | Confident | 85.3 | Confident | 139 Ų | 139 | 33.6 Ų | 33.6 | 65% | 0.65 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -25.9 | -179.1 | -60.5 | -179.7 | 4.2 | 0 | 0 | 112.9 | C224 S269 | C224-Q226 PolarHBondContact O-N 2.65Å; C224-Q226 VanDerWaalsContact O-N 3.09Å; Q226-S269 PolarHBondContact OE1-OG 3.19Å |
| 227 | T | 81.2 | Confident | 85.5 | Confident | 39 Ų | 39 | 35 Ų | 35 | 24% | 0.239 | 20% | 0.195 | C | C | . | . | trans | -135.2 | 74.6 | -179 | 54 | 0 | 0 | 0 | 0 | 108.9 | C224 R229 C230 I291 | C224-T227 CarbonylContact O-C 3.56Å; C224-T227 VanDerWaalsContact O-C 3.24Å; C224-T227 PolarHBondContact O-N 2.63Å; C224-T227 VanDerWaalsContact O-N 3.17Å; C224-T227 PolarHBondContact SG-OG1 2.86Å; T227-R229 PolarHBondContact O-N 3.04Å; T227-C230 WeakPolarHBondContact O-CB 3.43Å; T227-C230 PolarHBondContact O-N 3Å; T227-I291 HydrophobicContact CG2-CG2 4.26Å; T227-I291 WeakPolarHBondContact OG1-CG2 3.32Å | ||
| 228 | P | 77.6 | Confident | 85.8 | Confident | 41 Ų | 41 | 33.1 Ų | 33.1 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -2.4 | -169.4 | 23 | -34.1 | 0 | 0 | 0 | 115.8 | V170 C223 C224 C230 | V170-P228 HydrophobicContact CG1-CB 3.62Å; V170-P228 HydrophobicContact CG1-CG 4.34Å; C223-P228 WeakPolarHBondContact SG-CA 3.44Å; C223-P228 PolarHBondContact SG-O 3.02Å; C224-P228 WeakPolarHBondContact O-CA 3.34Å; P228-C230 VanDerWaalsContact C-N 3.31Å |
| 229 | R | 79.8 | Confident | 86.1 | Confident | 86 Ų | 86 | 33.2 Ų | 33.2 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.9 | 165.6 | 173.4 | 177.6 | 163.9 | 167.6 | -2.4 | 112.8 | T227 D243 A244 M245 | T227-R229 PolarHBondContact O-N 3.04Å; R229-D243 VanDerWaalsContact CG-OD1 3.29Å; R229-D243 WeakPolarHBondContact CG-OD1 3.36Å; R229-D243 IonicContact CZ-OD1 2.88Å; R229-D243 IonicContact CZ-OD2 3.95Å; R229-D243 IonicContact NE-OD1 3.15Å; R229-D243 PolarHBondContact NE-OD1 2.99Å; R229-D243 IonicContact NE-OD2 2.69Å; R229-D243 PolarHBondContact NE-OD2 2.56Å; R229-D243 IonicContact NH2-OD1 3.2Å; R229-D243 PolarHBondContact NH2-OD1 2.97Å; R229-D243 IonicContact NH2-OD2 2.97Å; R229-D243 PolarHBondContact NH2-OD2 3.31Å; R229-A244 PolarHBondContact O-N 3.03Å; R229-M245 HydrophobicContact CG-CB 3.9Å; R229-M245 PolarHBondContact NH1-SD 3.31Å |
| 230 | C | 87.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.6 | -176.9 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | C224 T227 P228 | C224-C230 HydrophobicContact CB-CB 4.13Å; C224-C230 WeakPolarHBondContact CB-O 3.49Å; C224-C230 PolarHBondContact N-O 3.04Å; T227-C230 WeakPolarHBondContact O-CB 3.43Å; T227-C230 PolarHBondContact O-N 3Å; P228-C230 VanDerWaalsContact C-N 3.31Å |
| 231 | I | 89.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.5 | -172.1 | -61.4 | -175.8 | 0 | 0 | 0 | 109.4 | V168 L181 V221 D222 C223 L233 L241 F242 A244 | V168-I231 HydrophobicContact CG1-CD1 4.39Å; L181-I231 HydrophobicContact CD2-CD1 3.48Å; L181-I231 VanDerWaalsContact CD2-CD1 3.48Å; V221-I231 HydrophobicContact CG1-CG2 3.61Å; D222-I231 CarbonylContact O-C 3.47Å; D222-I231 WeakPolarHBondContact O-CA 3.32Å; D222-I231 WeakPolarHBondContact O-CG2 3.32Å; C223-I231 HydrophobicContact CB-CG1 4.49Å; I231-L233 HydrophobicContact CG2-CD2 3.88Å; I231-L241 CarbonylContact O-C 3.5Å; I231-L241 WeakPolarHBondContact O-CA 3.15Å; I231-F242 HydrophobicContact CB-CB 4.45Å; I231-F242 HydrophobicContact CB-CD1 4.33Å; I231-F242 HydrophobicContact CD1-CD1 4.42Å; I231-F242 PolarHBondContact N-O 3.44Å; I231-F242 PolarHBondContact O-N 3.02Å; I231-A244 HydrophobicContact CD1-CB 3.91Å |
| 232 | L | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.8 | 172.4 | 178.2 | 65.5 | 0 | 0 | 0 | 108.9 | V221 D222 V234 W239 L241 F266 I272 | V221-L232 WeakPolarHBondContact CA-O 3.19Å; D222-L232 PolarHBondContact N-O 2.86Å; D222-L232 PolarHBondContact O-N 3.09Å; L232-V234 HydrophobicContact CD1-CG2 4.49Å; L232-V234 HydrophobicContact CD2-CG2 4.13Å; L232-V234 HydrophobicContact CG-CG2 3.96Å; L232-W239 HydrophobicContact CD1-CB 4.17Å; L232-W239 HydrophobicContact CD1-CD2 4.27Å; L232-W239 HydrophobicContact CD1-CE3 3.73Å; L232-W239 HydrophobicContact CD1-CG 4.49Å; L232-L241 HydrophobicContact CB-CD2 4.5Å; L232-L241 HydrophobicContact CD1-CD2 4.31Å; L232-F266 HydrophobicContact CB-CD2 4.3Å; L232-F266 HydrophobicContact CB-CE2 3.61Å; L232-F266 HydrophobicContact CB-CZ 4.16Å; L232-I272 HydrophobicContact CD1-CD1 3.9Å; L232-I272 HydrophobicContact CD2-CB 4.44Å; L232-I272 HydrophobicContact CD2-CD1 4.49Å; L232-I272 HydrophobicContact CD2-CG2 4.38Å |
| 233 | L | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.5 | 171.7 | -53 | -179 | 0 | 0 | 0 | 108.3 | L183 I212 I218 V221 I231 W239 Q240 F242 | L183-L233 HydrophobicContact CD1-CD2 3.68Å; I212-L233 HydrophobicContact CD1-CD1 4.29Å; I212-L233 HydrophobicContact CG2-CD1 4.3Å; I218-L233 HydrophobicContact CD1-CD1 4.16Å; I218-L233 HydrophobicContact CD1-CD2 4.43Å; I218-L233 HydrophobicContact CG2-CB 4.41Å; V221-L233 HydrophobicContact CG1-CD2 4.17Å; V221-L233 HydrophobicContact CG2-CD2 4.06Å; I231-L233 HydrophobicContact CG2-CD2 3.88Å; L233-W239 CarbonylContact O-C 3.46Å; L233-W239 VanDerWaalsContact O-CA 3.27Å; L233-W239 WeakPolarHBondContact O-CA 3.41Å; L233-Q240 HydrophobicContact CB-CB 4.4Å; L233-Q240 PolarHBondContact N-O 3.12Å; L233-Q240 PolarHBondContact O-N 3.28Å; L233-F242 HydrophobicContact CD1-CB 3.78Å; L233-F242 HydrophobicContact CD1-CG 4.29Å; L233-F242 HydrophobicContact CG-CB 4.01Å |
| 234 | V | 90.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.8 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | I219 Q220 L232 W239 L261 V274 | I219-V234 PolarHBondContact N-O 3.29Å; Q220-V234 HydrophobicContact CB-CB 4.47Å; Q220-V234 PolarHBondContact N-O 2.89Å; Q220-V234 PolarHBondContact O-N 2.87Å; L232-V234 HydrophobicContact CD1-CG2 4.49Å; L232-V234 HydrophobicContact CD2-CG2 4.13Å; L232-V234 HydrophobicContact CG-CG2 3.96Å; V234-W239 HydrophobicContact CG2-CB 4.45Å; V234-L261 HydrophobicContact CG1-CB 4.11Å; V234-L261 HydrophobicContact CG1-CD1 4.43Å; V234-V274 HydrophobicContact CG1-CG1 4.16Å; V234-V274 HydrophobicContact CG2-CG1 4.49Å |
| 235 | C | 89.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 160.9 | 178.4 | -68.4 | 0 | 0 | 0 | 0 | 109.3 | S216 S237 G238 L261 | S216-C235 PolarHBondContact O-SG 3.3Å; S216-C235 WeakPolarHBondContact OG-CB 3.48Å; C235-S237 PolarHBondContact O-N 2.99Å; C235-G238 CarbonylContact C-O 3.56Å; C235-G238 WeakPolarHBondContact CA-O 3.4Å; C235-G238 WeakPolarHBondContact CB-O 3.29Å; C235-G238 PolarHBondContact N-O 3.18Å; C235-G238 PolarHBondContact O-N 3.23Å; C235-L261 WeakPolarHBondContact O-CB 3.43Å |
| 236 | S | 85.9 | Confident | 85.4 | Confident | 50 Ų | 50 | 33.5 Ų | 33.5 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.4 | -179.8 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | S216 L261 | S216-S236 PolarHBondContact OG-OG 3.44Å; S236-L261 PolarHBondContact O-N 3.46Å |
| 237 | S | 87 | Confident | 85.2 | Confident | 60 Ų | 60 | 29.1 Ų | 29.1 | 42% | 0.42 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -0.5 | -173.7 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | S216 C235 N255 | S216-S237 PolarHBondContact OG-OG 3.36Å; C235-S237 PolarHBondContact O-N 2.99Å; S237-N255 PolarHBondContact O-N 3.48Å |
| 238 | G | 89.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -170.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C235 V253 | C235-G238 CarbonylContact C-O 3.56Å; C235-G238 WeakPolarHBondContact CA-O 3.4Å; C235-G238 WeakPolarHBondContact CB-O 3.29Å; C235-G238 PolarHBondContact N-O 3.18Å; C235-G238 PolarHBondContact O-N 3.23Å; G238-V253 CarbonylContact C-O 3.6Å; G238-V253 WeakPolarHBondContact CA-O 3.44Å |
| 239 | W | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158 | 179.4 | 58.2 | -89.2 | 0 | 0 | 0 | 111.8 | L232 L233 V234 L241 V253 I272 V274 Y284 L286 P303 | L232-W239 HydrophobicContact CD1-CB 4.17Å; L232-W239 HydrophobicContact CD1-CD2 4.27Å; L232-W239 HydrophobicContact CD1-CE3 3.73Å; L232-W239 HydrophobicContact CD1-CG 4.49Å; L233-W239 CarbonylContact O-C 3.46Å; L233-W239 VanDerWaalsContact O-CA 3.27Å; L233-W239 WeakPolarHBondContact O-CA 3.41Å; V234-W239 HydrophobicContact CG2-CB 4.45Å; W239-L241 HydrophobicContact CZ3-CD1 4.25Å; W239-L241 HydrophobicContact CZ3-CG 4.07Å; W239-V253 HydrophobicContact CD2-CB 4.07Å; W239-V253 HydrophobicContact CH2-CB 4.3Å; W239-V253 HydrophobicContact CH2-CG2 3.75Å; W239-V253 HydrophobicContact CZ2-CB 3.71Å; W239-V253 HydrophobicContact CZ2-CG1 4.03Å; W239-V253 HydrophobicContact CZ2-CG2 3.55Å; W239-V253 HydrophobicContact CZ3-CG2 4.27Å; W239-V253 PolarHBondContact N-O 2.68Å; W239-V253 PolarHBondContact O-N 3.44Å; W239-I272 HydrophobicContact CD2-CD1 3.98Å; W239-I272 HydrophobicContact CE3-CD1 3.72Å; W239-I272 HydrophobicContact CH2-CD1 3.54Å; W239-I272 HydrophobicContact CZ2-CD1 3.82Å; W239-I272 HydrophobicContact CZ3-CD1 3.5Å; W239-I272 VanDerWaalsContact CZ3-CD1 3.5Å; W239-V274 HydrophobicContact CD2-CG2 4.48Å; W239-V274 HydrophobicContact CG-CG1 4.4Å; W239-V274 HydrophobicContact CG-CG2 4.2Å; W239-Y284 HydrophobicContact CH2-CG 4.49Å; W239-Y284 AromaticContact CZ2-CD1 3.82Å; W239-Y284 HydrophobicContact CZ2-CD1 3.82Å; W239-Y284 AromaticContact CZ2-CD2 3.95Å; W239-Y284 HydrophobicContact CZ2-CD2 3.95Å; W239-Y284 HydrophobicContact CZ2-CE1 4.19Å; W239-Y284 HydrophobicContact CZ2-CE2 4.33Å; W239-Y284 AromaticContact CZ2-CG 3.69Å; W239-Y284 HydrophobicContact CZ2-CG 3.69Å; W239-Y284 AromaticContact NE1-CE2 3.79Å; W239-L286 HydrophobicContact CH2-CD2 3.96Å; W239-L286 HydrophobicContact CZ3-CD2 4.28Å; W239-P303 HydrophobicContact CH2-CB 3.69Å; W239-P303 HydrophobicContact CH2-CG 3.62Å; W239-P303 HydrophobicContact CZ2-CB 4.15Å; W239-P303 HydrophobicContact CZ2-CG 4.41Å; W239-P303 HydrophobicContact CZ3-CG 4.4Å |
| 240 | Q | 91.1 | Very high | 85.7 | Confident | 9 Ų | 9 | 27 Ų | 27 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151.3 | -178.4 | -58.7 | -173.8 | -55.1 | 0 | 0 | 110.9 | C214 L233 I249 C251 T252 | C214-Q240 PolarHBondContact SG-OE1 2.89Å; L233-Q240 HydrophobicContact CB-CB 4.4Å; L233-Q240 PolarHBondContact N-O 3.12Å; L233-Q240 PolarHBondContact O-N 3.28Å; Q240-I249 HydrophobicContact CB-CG2 4.21Å; Q240-C251 CarbonylContact C-O 3.56Å; Q240-C251 VanDerWaalsContact CA-O 3.22Å; Q240-C251 WeakPolarHBondContact CA-O 3.23Å; Q240-C251 WeakPolarHBondContact CB-O 3.46Å; Q240-T252 HydrophobicContact CG-CG2 3.96Å; Q240-T252 PolarHBondContact NE2-OG1 2.87Å |
| 241 | L | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.1 | 166.5 | -72 | 169.5 | 0 | 0 | 0 | 109 | I231 L232 W239 I249 N250 C251 F266 L286 L290 | I231-L241 CarbonylContact O-C 3.5Å; I231-L241 WeakPolarHBondContact O-CA 3.15Å; L232-L241 HydrophobicContact CB-CD2 4.5Å; L232-L241 HydrophobicContact CD1-CD2 4.31Å; W239-L241 HydrophobicContact CZ3-CD1 4.25Å; W239-L241 HydrophobicContact CZ3-CG 4.07Å; L241-I249 CarbonylContact O-C 3.58Å; L241-I249 WeakPolarHBondContact O-CA 3.47Å; L241-N250 HydrophobicContact CB-CB 4.47Å; L241-N250 PolarHBondContact O-N 3.27Å; L241-C251 HydrophobicContact CB-CB 4.2Å; L241-C251 HydrophobicContact CD1-CB 4.23Å; L241-C251 PolarHBondContact N-O 3.39Å; L241-F266 HydrophobicContact CD2-CE1 4.47Å; L241-F266 HydrophobicContact CD2-CZ 3.88Å; L241-L286 HydrophobicContact CD1-CD1 3.81Å; L241-L286 HydrophobicContact CD1-CD2 3.86Å; L241-L286 HydrophobicContact CD1-CG 4.41Å; L241-L286 HydrophobicContact CD2-CD1 4.28Å; L241-L290 HydrophobicContact CD1-CB 4.3Å |
| 242 | F | 87.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.9 | 179 | 176.1 | -106.2 | 0 | 0 | 0 | 110.2 | L181 I212 I231 L233 A244 C247 | L181-F242 HydrophobicContact CD2-CE1 4.46Å; I212-F242 HydrophobicContact CD1-CD1 4.35Å; I212-F242 HydrophobicContact CD1-CD2 3.91Å; I212-F242 HydrophobicContact CD1-CE1 4.04Å; I212-F242 HydrophobicContact CD1-CE2 3.57Å; I212-F242 HydrophobicContact CD1-CG 4.28Å; I212-F242 HydrophobicContact CD1-CZ 3.64Å; I212-F242 HydrophobicContact CG1-CE2 4.1Å; I212-F242 HydrophobicContact CG1-CZ 4.35Å; I212-F242 HydrophobicContact CG2-CD2 4.49Å; I231-F242 HydrophobicContact CB-CB 4.45Å; I231-F242 HydrophobicContact CB-CD1 4.33Å; I231-F242 HydrophobicContact CD1-CD1 4.42Å; I231-F242 PolarHBondContact N-O 3.44Å; I231-F242 PolarHBondContact O-N 3.02Å; L233-F242 HydrophobicContact CD1-CB 3.78Å; L233-F242 HydrophobicContact CD1-CG 4.29Å; L233-F242 HydrophobicContact CG-CB 4.01Å; F242-A244 HydrophobicContact CE1-CB 4.36Å; F242-C247 VanDerWaalsContact CE2-C 3.49Å; F242-C247 HydrophobicContact CE2-CB 4.22Å; F242-C247 HydrophobicContact CZ-CB 4.12Å |
| 243 | D | 84 | Confident | 85.4 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.5 | 173.2 | -173 | -44.1 | 0 | 0 | 0 | 109.5 | R229 M245 T246 C247 S248 | R229-D243 VanDerWaalsContact CG-OD1 3.29Å; R229-D243 WeakPolarHBondContact CG-OD1 3.36Å; R229-D243 IonicContact CZ-OD1 2.88Å; R229-D243 IonicContact CZ-OD2 3.95Å; R229-D243 IonicContact NE-OD1 3.15Å; R229-D243 PolarHBondContact NE-OD1 2.99Å; R229-D243 IonicContact NE-OD2 2.69Å; R229-D243 PolarHBondContact NE-OD2 2.56Å; R229-D243 IonicContact NH2-OD1 3.2Å; R229-D243 PolarHBondContact NH2-OD1 2.97Å; R229-D243 IonicContact NH2-OD2 2.97Å; R229-D243 PolarHBondContact NH2-OD2 3.31Å; D243-M245 PolarHBondContact O-N 3.32Å; D243-M245 PolarHBondContact OD1-N 2.81Å; D243-T246 WeakPolarHBondContact CB-OG1 3.24Å; D243-T246 PolarHBondContact OD1-N 3.05Å; D243-T246 VanDerWaalsContact OD1-N 3.12Å; D243-T246 PolarHBondContact OD1-OG1 2.76Å; D243-T246 PolarHBondContact OD2-OG1 2.77Å; D243-C247 WeakPolarHBondContact O-CA 3.36Å; D243-C247 PolarHBondContact O-N 3.12Å; D243-S248 PolarHBondContact N-O 2.91Å; D243-S248 PolarHBondContact O-N 2.97Å |
| 244 | A | 79.1 | Confident | 85.1 | Confident | 42 Ų | 42 | 36.8 Ų | 36.8 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R229 I231 F242 | R229-A244 PolarHBondContact O-N 3.03Å; I231-A244 HydrophobicContact CD1-CB 3.91Å; F242-A244 HydrophobicContact CE1-CB 4.36Å |
| 245 | M | 75.1 | Confident | 84.6 | Confident | 139 Ų | 139 | 37.9 Ų | 37.9 | 69% | 0.685 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -33.7 | -177 | -174.7 | 179.8 | -75.3 | 0 | 0 | 112.5 | R229 D243 | R229-M245 HydrophobicContact CG-CB 3.9Å; R229-M245 PolarHBondContact NH1-SD 3.31Å; D243-M245 PolarHBondContact O-N 3.32Å; D243-M245 PolarHBondContact OD1-N 2.81Å |
| 246 | T | 76.6 | Confident | 83.5 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -9 | 172.1 | 44.9 | 0 | 0 | 0 | 0 | 113.3 | D243 S248 | D243-T246 WeakPolarHBondContact CB-OG1 3.24Å; D243-T246 PolarHBondContact OD1-N 3.05Å; D243-T246 VanDerWaalsContact OD1-N 3.12Å; D243-T246 PolarHBondContact OD1-OG1 2.76Å; D243-T246 PolarHBondContact OD2-OG1 2.77Å; T246-S248 PolarHBondContact O-N 2.9Å; T246-S248 PolarHBondContact OG1-OG 3.01Å |
| 247 | C | 74.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 33.8 | -169.6 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | R210 F242 D243 | R210-C247 PolarHBondContact NH1-SG 2.95Å; F242-C247 VanDerWaalsContact CE2-C 3.49Å; F242-C247 HydrophobicContact CE2-CB 4.22Å; F242-C247 HydrophobicContact CZ-CB 4.12Å; D243-C247 WeakPolarHBondContact O-CA 3.36Å; D243-C247 PolarHBondContact O-N 3.12Å |
| 248 | S | 80.3 | Confident | 82 | Confident | 32 Ų | 32 | 48 Ų | 48 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145 | -176.8 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | D243 T246 N250 | D243-S248 PolarHBondContact N-O 2.91Å; D243-S248 PolarHBondContact O-N 2.97Å; T246-S248 PolarHBondContact O-N 2.9Å; T246-S248 PolarHBondContact OG1-OG 3.01Å; S248-N250 PolarHBondContact O-N 3.11Å; S248-N250 PolarHBondContact OG-OD1 3.03Å |
| 249 | I | 83.2 | Confident | 81.5 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.3 | 167.1 | -65.2 | 162 | 0 | 0 | 0 | 107.6 | I212 Q240 L241 C251 | I212-I249 HydrophobicContact CG2-CD1 4.21Å; Q240-I249 HydrophobicContact CB-CG2 4.21Å; L241-I249 CarbonylContact O-C 3.58Å; L241-I249 WeakPolarHBondContact O-CA 3.47Å; I249-C251 VanDerWaalsContact CG2-O 3.27Å; I249-C251 WeakPolarHBondContact CG2-O 3.38Å |
| 250 | N | 84.5 | Confident | 81.1 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -29.7 | 179.1 | -67.5 | 2 | 0 | 0 | 0 | 111.8 | L241 S248 L290 | L241-N250 HydrophobicContact CB-CB 4.47Å; L241-N250 PolarHBondContact O-N 3.27Å; S248-N250 PolarHBondContact O-N 3.11Å; S248-N250 PolarHBondContact OG-OD1 3.03Å; N250-L290 PolarHBondContact ND2-O 2.86Å |
| 251 | C | 86.5 | Confident | 80.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 149 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | Q240 L241 I249 L290 P303 | Q240-C251 CarbonylContact C-O 3.56Å; Q240-C251 VanDerWaalsContact CA-O 3.22Å; Q240-C251 WeakPolarHBondContact CA-O 3.23Å; Q240-C251 WeakPolarHBondContact CB-O 3.46Å; L241-C251 HydrophobicContact CB-CB 4.2Å; L241-C251 HydrophobicContact CD1-CB 4.23Å; L241-C251 PolarHBondContact N-O 3.39Å; I249-C251 VanDerWaalsContact CG2-O 3.27Å; I249-C251 WeakPolarHBondContact CG2-O 3.38Å; C251-L290 HydrophobicContact CB-CD1 4.09Å; C251-L290 HydrophobicContact CB-CD2 4.26Å; C251-P303 VanDerWaalsContact SG-CD 3.53Å; C251-P303 WeakPolarHBondContact SG-CG 3.09Å |
| 252 | T | 87.5 | Confident | 80.6 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.3 | 167.4 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | Q240 | Q240-T252 HydrophobicContact CG-CG2 3.96Å; Q240-T252 PolarHBondContact NE2-OG1 2.87Å |
| 253 | V | 88.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 111 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | G238 W239 Y284 P303 | G238-V253 CarbonylContact C-O 3.6Å; G238-V253 WeakPolarHBondContact CA-O 3.44Å; W239-V253 HydrophobicContact CD2-CB 4.07Å; W239-V253 HydrophobicContact CH2-CB 4.3Å; W239-V253 HydrophobicContact CH2-CG2 3.75Å; W239-V253 HydrophobicContact CZ2-CB 3.71Å; W239-V253 HydrophobicContact CZ2-CG1 4.03Å; W239-V253 HydrophobicContact CZ2-CG2 3.55Å; W239-V253 HydrophobicContact CZ3-CG2 4.27Å; W239-V253 PolarHBondContact N-O 2.68Å; W239-V253 PolarHBondContact O-N 3.44Å; V253-Y284 HydrophobicContact CG1-CE1 4.42Å; V253-P303 HydrophobicContact CG2-CB 4.49Å; V253-P303 HydrophobicContact CG2-CG 4.04Å |
| 254 | S | 85.2 | Confident | 80.7 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 63% | 0.629 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 143.4 | 167.6 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | P256 | S254-P256 WeakPolarHBondContact O-CD 3.46Å |
| 255 | N | 79.3 | Confident | 81.2 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | trans | -62.2 | 123 | 176 | -172.7 | 2.1 | 0 | 0 | 0 | 109.8 | S237 T257 D259 L261 | S237-N255 PolarHBondContact O-N 3.48Å; N255-T257 VanDerWaalsContact CG-OG1 3.32Å; N255-T257 PolarHBondContact ND2-O 3.31Å; N255-T257 VanDerWaalsContact ND2-O 3.12Å; N255-T257 PolarHBondContact ND2-OG1 2.82Å; N255-T257 PolarHBondContact O-N 2.78Å; N255-T257 PolarHBondContact OD1-N 3.43Å; N255-T257 PolarHBondContact OD1-OG1 2.97Å; N255-D259 PolarHBondContact ND2-O 2.94Å; N255-L261 HydrophobicContact CB-CD1 4.15Å; N255-L261 HydrophobicContact CB-CG 4.26Å | ||
| 256 | P | 66.1 | Low | 81.8 | Confident | 96 Ų | 96 | 46.3 Ų | 46.3 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.5 | -4.2 | 174.9 | 30.3 | -36.9 | 0 | 0 | 0 | 113.7 | S254 | S254-P256 WeakPolarHBondContact O-CD 3.46Š|
| 257 | T | 68.4 | Low | 82.1 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 31% | 0.307 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -115.1 | 153.2 | 176.6 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | N255 D259 Y282 | N255-T257 VanDerWaalsContact CG-OG1 3.32Å; N255-T257 PolarHBondContact ND2-O 3.31Å; N255-T257 VanDerWaalsContact ND2-O 3.12Å; N255-T257 PolarHBondContact ND2-OG1 2.82Å; N255-T257 PolarHBondContact O-N 2.78Å; N255-T257 PolarHBondContact OD1-N 3.43Å; N255-T257 PolarHBondContact OD1-OG1 2.97Å; T257-D259 PolarHBondContact O-N 3.46Å; T257-D259 VanDerWaalsContact O-N 3.11Å; T257-Y282 HydrophobicContact CG2-CE1 4.34Å; T257-Y282 WeakPolarHBondContact CG2-OH 3.34Å; T257-Y282 PolarHBondContact OG1-OH 3.49Å |
| 258 | N | 73.7 | Confident | 82.3 | Confident | 178 Ų | 178 | 44 Ų | 44 | 95% | 0.952 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -74.3 | 13.1 | 173.1 | -75.5 | -2.6 | 0 | 0 | 0 | 113.5 | ||
| 259 | D | 78.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -77.3 | 142.1 | 173.9 | -164.9 | 5.9 | 0 | 0 | 0 | 110.3 | N255 T257 L261 G276 Q277 S278 | N255-D259 PolarHBondContact ND2-O 2.94Å; T257-D259 PolarHBondContact O-N 3.46Å; T257-D259 VanDerWaalsContact O-N 3.11Å; D259-L261 PolarHBondContact O-N 2.99Å; D259-G276 VanDerWaalsContact OD2-C 3.29Å; D259-G276 VanDerWaalsContact OD2-CA 3.25Å; D259-G276 WeakPolarHBondContact OD2-CA 3.25Å; D259-Q277 PolarHBondContact OD1-N 2.93Å; D259-Q277 PolarHBondContact OD2-N 3.04Å; D259-S278 PolarHBondContact OD1-N 3.18Å; D259-S278 WeakPolarHBondContact OD2-CB 3.33Å; D259-S278 PolarHBondContact OD2-N 2.93Å; D259-S278 PolarHBondContact OD2-OG 3.31Å |
| 260 | V | 83.3 | Confident | 82.4 | Confident | 67 Ų | 67 | 43.3 Ų | 43.3 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 116.9 | 177.6 | 179.8 | 0 | 0 | 0 | 0 | 108 | V262 G276 Q277 | V260-V262 PolarHBondContact O-N 3.41Å; V260-G276 CarbonylContact O-C 3.46Å; V260-G276 VanDerWaalsContact O-CA 3.3Å; V260-G276 WeakPolarHBondContact O-CA 3.27Å; V260-Q277 PolarHBondContact O-N 2.95Å |
| 261 | L | 86.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.5 | 175.3 | -63.9 | -178.9 | 0 | 0 | 0 | 109.9 | I219 V234 C235 S236 N255 D259 V274 | I219-L261 WeakPolarHBondContact CD1-O 3.47Å; V234-L261 HydrophobicContact CG1-CB 4.11Å; V234-L261 HydrophobicContact CG1-CD1 4.43Å; C235-L261 WeakPolarHBondContact O-CB 3.43Å; S236-L261 PolarHBondContact O-N 3.46Å; N255-L261 HydrophobicContact CB-CD1 4.15Å; N255-L261 HydrophobicContact CB-CG 4.26Å; D259-L261 PolarHBondContact O-N 2.99Å; L261-V274 HydrophobicContact CD1-CG1 3.87Å; L261-V274 HydrophobicContact CD2-CG1 4.09Å; L261-V274 HydrophobicContact CG-CG1 4.49Å |
| 262 | V | 84.9 | Confident | 82.7 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -9.9 | 177.7 | -92.2 | 0 | 0 | 0 | 0 | 112.6 | V260 Y275 | V260-V262 PolarHBondContact O-N 3.41Å; V262-Y275 HydrophobicContact CG2-CD2 4.33Å; V262-Y275 PolarHBondContact N-O 3.01Å |
| 263 | G | 86.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -169.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V274 Y275 | G263-V274 WeakPolarHBondContact O-CG1 3.37Å; G263-Y275 VanDerWaalsContact C-CZ 3.43Å; G263-Y275 PolarHBondContact N-O 3.39Å; G263-Y275 PolarHBondContact O-N 3.4Å |
| 264 | G | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 165.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q220 S273 Y275 | Q220-G264 PolarHBondContact NE2-O 2.81Å; G264-S273 CarbonylContact C-O 3.57Å; G264-S273 WeakPolarHBondContact CA-O 3.47Å; G264-Y275 VanDerWaalsContact N-CZ 3.27Å; G264-Y275 PolarHBondContact N-OH 3.12Å |
| 265 | S | 88.7 | Confident | 82.9 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 154.9 | -177.6 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | D222 I272 S273 | D222-S265 VanDerWaalsContact OD2-CA 3.25Å; D222-S265 WeakPolarHBondContact OD2-CA 3.31Å; S265-I272 WeakPolarHBondContact O-CA 3.34Å; S265-S273 PolarHBondContact N-O 2.68Å; S265-S273 PolarHBondContact O-N 3.48Å; S265-S273 PolarHBondContact O-OG 3.48Å; S265-S273 PolarHBondContact OG-OG 3.2Å |
| 266 | F | 87.7 | Confident | 83.1 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130 | 166.6 | -72.4 | -90 | 0 | 0 | 0 | 111.2 | D222 C224 L232 L241 I272 L286 | D222-F266 PolarHBondContact OD2-N 2.74Å; C224-F266 HydrophobicContact CB-CD1 3.97Å; C224-F266 HydrophobicContact CB-CD2 4.14Å; C224-F266 HydrophobicContact CB-CE1 3.78Å; C224-F266 HydrophobicContact CB-CE2 3.95Å; C224-F266 HydrophobicContact CB-CG 4.15Å; C224-F266 HydrophobicContact CB-CZ 3.77Å; L232-F266 HydrophobicContact CB-CD2 4.3Å; L232-F266 HydrophobicContact CB-CE2 3.61Å; L232-F266 HydrophobicContact CB-CZ 4.16Å; L241-F266 HydrophobicContact CD2-CE1 4.47Å; L241-F266 HydrophobicContact CD2-CZ 3.88Å; F266-I272 HydrophobicContact CD1-CG2 3.46Å; F266-I272 VanDerWaalsContact CD1-CG2 3.46Å; F266-I272 HydrophobicContact CE1-CG2 3.62Å; F266-I272 HydrophobicContact CG-CG2 3.95Å; F266-I272 HydrophobicContact CZ-CG2 4.23Å; F266-L286 HydrophobicContact CE1-CD1 3.99Å |
| 267 | I | 82.3 | Confident | 83.8 | Confident | 16 Ų | 16 | 30.9 Ų | 30.9 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -37.5 | 173.9 | -63.3 | 162.1 | 0 | 0 | 0 | 110.6 | V271 L283 A352 Q361 I377 P379 | I267-V271 PolarHBondContact N-O 3.1Å; I267-L283 HydrophobicContact CD1-CD2 3.4Å; I267-A352 HydrophobicContact CB-CB 4.46Å; I267-A352 HydrophobicContact CG1-CB 3.92Å; I267-A352 HydrophobicContact CG2-CB 4.04Å; I267-Q361 PolarHBondContact O-NE2 2.96Å; I267-I377 HydrophobicContact CD1-CD1 3.88Å; I267-I377 HydrophobicContact CG2-CG2 4.29Å; I267-P379 HydrophobicContact CG2-CG 4.41Å |
| 268 | Q | 79 | Confident | 84.3 | Confident | 51 Ų | 51 | 30.4 Ų | 30.4 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 169.2 | 169 | -65.8 | 176.4 | -28.3 | 0 | 0 | 107.6 | N270 V271 P379 | Q268-N270 PolarHBondContact O-N 2.84Å; Q268-N270 VanDerWaalsContact O-N 3.13Å; Q268-V271 HydrophobicContact CB-CB 4.09Å; Q268-V271 HydrophobicContact CB-CG2 4.3Å; Q268-V271 PolarHBondContact N-O 2.97Å; Q268-V271 VanDerWaalsContact N-O 3.11Å; Q268-V271 PolarHBondContact O-N 2.89Å; Q268-P379 HydrophobicContact CG-CG 4.32Å |
| 269 | S | 80.1 | Confident | 84.5 | Confident | 24 Ų | 24 | 22 Ų | 22 | 17% | 0.168 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.5 | 177.5 | 43.9 | 0 | 0 | 0 | 0 | 113.9 | Q226 I291 | Q226-S269 PolarHBondContact OE1-OG 3.19Å; S269-I291 WeakPolarHBondContact O-CD1 3.47Å |
| 270 | N | 85.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 23.2 Ų | 23.2 | 30% | 0.299 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 15.7 | 179.8 | 67.8 | -59.3 | 0 | 0 | 0 | 114 | Q268 S285 L286 I291 | Q268-N270 PolarHBondContact O-N 2.84Å; Q268-N270 VanDerWaalsContact O-N 3.13Å; N270-S285 CarbonylContact O-C 3.46Å; N270-S285 WeakPolarHBondContact O-CA 3.49Å; N270-S285 PolarHBondContact O-OG 3.01Å; N270-L286 PolarHBondContact O-N 2.85Å; N270-I291 HydrophobicContact CB-CD1 3.83Å |
| 271 | V | 87.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 122.1 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | I267 Q268 Y284 I306 P379 | I267-V271 PolarHBondContact N-O 3.1Å; Q268-V271 HydrophobicContact CB-CB 4.09Å; Q268-V271 HydrophobicContact CB-CG2 4.3Å; Q268-V271 PolarHBondContact N-O 2.97Å; Q268-V271 VanDerWaalsContact N-O 3.11Å; Q268-V271 PolarHBondContact O-N 2.89Å; V271-Y284 WeakPolarHBondContact CA-O 3.21Å; V271-I306 HydrophobicContact CG1-CD1 4.35Å; V271-P379 HydrophobicContact CG2-CB 4.19Å |
| 272 | I | 89.7 | Confident | 85 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.2 | 174.9 | 61.2 | 170.7 | 0 | 0 | 0 | 111.1 | L232 W239 S265 F266 V274 L283 Y284 L286 | L232-I272 HydrophobicContact CD1-CD1 3.9Å; L232-I272 HydrophobicContact CD2-CB 4.44Å; L232-I272 HydrophobicContact CD2-CD1 4.49Å; L232-I272 HydrophobicContact CD2-CG2 4.38Å; W239-I272 HydrophobicContact CD2-CD1 3.98Å; W239-I272 HydrophobicContact CE3-CD1 3.72Å; W239-I272 HydrophobicContact CH2-CD1 3.54Å; W239-I272 HydrophobicContact CZ2-CD1 3.82Å; W239-I272 HydrophobicContact CZ3-CD1 3.5Å; W239-I272 VanDerWaalsContact CZ3-CD1 3.5Å; S265-I272 WeakPolarHBondContact O-CA 3.34Å; F266-I272 HydrophobicContact CD1-CG2 3.46Å; F266-I272 VanDerWaalsContact CD1-CG2 3.46Å; F266-I272 HydrophobicContact CE1-CG2 3.62Å; F266-I272 HydrophobicContact CG-CG2 3.95Å; F266-I272 HydrophobicContact CZ-CG2 4.23Å; I272-V274 HydrophobicContact CD1-CG2 4.12Å; I272-V274 HydrophobicContact CG1-CG2 4.48Å; I272-L283 WeakPolarHBondContact O-CA 3.44Å; I272-Y284 PolarHBondContact N-O 3.31Å; I272-Y284 PolarHBondContact O-N 2.93Å; I272-L286 HydrophobicContact CD1-CD2 4.3Å; I272-L286 HydrophobicContact CG1-CD2 4.42Å; I272-L286 HydrophobicContact CG2-CD1 3.88Å |
| 273 | S | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.6 | 161 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | G264 S265 Y282 | G264-S273 CarbonylContact C-O 3.57Å; G264-S273 WeakPolarHBondContact CA-O 3.47Å; S265-S273 PolarHBondContact N-O 2.68Å; S265-S273 PolarHBondContact O-N 3.48Å; S265-S273 PolarHBondContact O-OG 3.48Å; S265-S273 PolarHBondContact OG-OG 3.2Å; S273-Y282 WeakPolarHBondContact CA-O 3.33Å |
| 274 | V | 89.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133 | 170.5 | -150.7 | 0 | 0 | 0 | 0 | 107.7 | V234 W239 L261 G263 I272 Y282 Y284 | V234-V274 HydrophobicContact CG1-CG1 4.16Å; V234-V274 HydrophobicContact CG2-CG1 4.49Å; W239-V274 HydrophobicContact CD2-CG2 4.48Å; W239-V274 HydrophobicContact CG-CG1 4.4Å; W239-V274 HydrophobicContact CG-CG2 4.2Å; L261-V274 HydrophobicContact CD1-CG1 3.87Å; L261-V274 HydrophobicContact CD2-CG1 4.09Å; L261-V274 HydrophobicContact CG-CG1 4.49Å; G263-V274 WeakPolarHBondContact O-CG1 3.37Å; I272-V274 HydrophobicContact CD1-CG2 4.12Å; I272-V274 HydrophobicContact CG1-CG2 4.48Å; V274-Y282 PolarHBondContact N-O 3.34Å; V274-Y282 PolarHBondContact O-N 3.47Å; V274-Y284 HydrophobicContact CG2-CD2 4.01Å; V274-Y284 HydrophobicContact CG2-CE2 4.16Å |
| 275 | Y | 87.9 | Confident | 85.2 | Confident | 20 Ų | 20 | 19.4 Ų | 19.4 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.9 | -169.2 | 41.1 | -100.8 | 0 | 0 | 0 | 113 | Q220 V262 G263 G264 F280 F349 | Q220-Y275 PolarHBondContact NE2-OH 3.49Å; Q220-Y275 PolarHBondContact OE1-OH 3.48Å; V262-Y275 HydrophobicContact CG2-CD2 4.33Å; V262-Y275 PolarHBondContact N-O 3.01Å; G263-Y275 VanDerWaalsContact C-CZ 3.43Å; G263-Y275 PolarHBondContact N-O 3.39Å; G263-Y275 PolarHBondContact O-N 3.4Å; G264-Y275 VanDerWaalsContact N-CZ 3.27Å; G264-Y275 PolarHBondContact N-OH 3.12Å; Y275-F280 WeakPolarHBondContact CA-O 3.48Å; Y275-F349 HydrophobicContact CD1-CB 4.33Å; Y275-F349 HydrophobicContact CD1-CG 4.22Å; Y275-F349 HydrophobicContact CD2-CB 4.23Å; Y275-F349 AromaticContact CD2-CD2 3.4Å; Y275-F349 HydrophobicContact CD2-CD2 3.4Å; Y275-F349 AromaticContact CD2-CE2 3.9Å; Y275-F349 HydrophobicContact CD2-CE2 3.9Å; Y275-F349 AromaticContact CD2-CG 3.88Å; Y275-F349 HydrophobicContact CD2-CG 3.88Å; Y275-F349 HydrophobicContact CE1-CB 4.19Å; Y275-F349 HydrophobicContact CE2-CB 4.1Å; Y275-F349 AromaticContact CE2-CD2 3.94Å; Y275-F349 HydrophobicContact CE2-CD2 3.94Å; Y275-F349 HydrophobicContact CE2-CG 4.25Å; Y275-F349 HydrophobicContact CG-CB 4.36Å; Y275-F349 HydrophobicContact CG-CD1 4.31Å; Y275-F349 AromaticContact CG-CD2 3.74Å; Y275-F349 HydrophobicContact CG-CD2 3.74Å; Y275-F349 HydrophobicContact CG-CE2 4.08Å; Y275-F349 AromaticContact CG-CG 3.88Å; Y275-F349 HydrophobicContact CG-CG 3.88Å |
| 276 | G | 83.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 165.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D259 V260 S278 G279 F280 | D259-G276 VanDerWaalsContact OD2-C 3.29Å; D259-G276 VanDerWaalsContact OD2-CA 3.25Å; D259-G276 WeakPolarHBondContact OD2-CA 3.25Å; V260-G276 CarbonylContact O-C 3.46Å; V260-G276 VanDerWaalsContact O-CA 3.3Å; V260-G276 WeakPolarHBondContact O-CA 3.27Å; G276-S278 VanDerWaalsContact C-N 3.25Å; G276-S278 PolarHBondContact O-N 2.98Å; G276-G279 PolarHBondContact O-N 3.45Å; G276-F280 PolarHBondContact N-O 2.94Å; G276-F280 VanDerWaalsContact N-O 3.12Å |
| 277 | Q | 80.2 | Confident | 84.8 | Confident | 77 Ų | 77 | 20 Ų | 20 | 36% | 0.36 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29.2 | -173.8 | -173.6 | 170.8 | 39.5 | 0 | 0 | 112.8 | D259 V260 G279 F346 | D259-Q277 PolarHBondContact OD1-N 2.93Å; D259-Q277 PolarHBondContact OD2-N 3.04Å; V260-Q277 PolarHBondContact O-N 2.95Å; Q277-G279 PolarHBondContact O-N 3.24Å; Q277-F346 PolarHBondContact O-N 2.88Å; Q277-F346 VanDerWaalsContact O-N 3.11Å |
| 278 | S | 78.2 | Confident | 84.5 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9.5 | 174.6 | 77.5 | 0 | 0 | 0 | 0 | 114.2 | D259 G276 F280 | D259-S278 PolarHBondContact OD1-N 3.18Å; D259-S278 WeakPolarHBondContact OD2-CB 3.33Å; D259-S278 PolarHBondContact OD2-N 2.93Å; D259-S278 PolarHBondContact OD2-OG 3.31Å; G276-S278 VanDerWaalsContact C-N 3.25Å; G276-S278 PolarHBondContact O-N 2.98Å; S278-F280 WeakPolarHBondContact OG-CD2 3.18Å |
| 279 | G | 78.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 103.3 | -4.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G276 Q277 | G276-G279 PolarHBondContact O-N 3.45Å; Q277-G279 PolarHBondContact O-N 3.24Å |
| 280 | F | 84.2 | Confident | 84.1 | Confident | 50 Ų | 50 | 26.1 Ų | 26.1 | 22% | 0.219 | 13% | 0.133 | C | C | . | . | trans | -71 | 138.8 | 174.1 | -71.5 | -78.6 | 0 | 0 | 0 | 111.1 | Y275 G276 S278 Y282 T308 F309 F312 | Y275-F280 WeakPolarHBondContact CA-O 3.48Å; G276-F280 PolarHBondContact N-O 2.94Å; G276-F280 VanDerWaalsContact N-O 3.12Å; S278-F280 WeakPolarHBondContact OG-CD2 3.18Å; F280-Y282 HydrophobicContact CB-CE1 4.08Å; F280-Y282 HydrophobicContact CB-CE2 4.02Å; F280-Y282 WeakPolarHBondContact CB-OH 3.22Å; F280-T308 HydrophobicContact CB-CG2 4.48Å; F280-T308 HydrophobicContact CD1-CG2 3.75Å; F280-F309 WeakPolarHBondContact CA-O 3.48Å; F280-F309 WeakPolarHBondContact CD1-O 3.24Å; F280-F312 HydrophobicContact CE2-CE2 4.35Å; F280-F312 HydrophobicContact CZ-CD2 4.4Å; F280-F312 AromaticContact CZ-CE2 3.92Å; F280-F312 HydrophobicContact CZ-CE2 3.92Å | ||
| 281 | V | 86.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.7 | 175.1 | -168.9 | 0 | 0 | 0 | 0 | 109 | T308 F309 F349 L363 | V281-T308 CarbonylContact O-C 3.49Å; V281-T308 WeakPolarHBondContact O-CA 3.29Å; V281-F309 HydrophobicContact CB-CB 4.15Å; V281-F309 HydrophobicContact CB-CD2 4.2Å; V281-F309 HydrophobicContact CG1-CD2 4.5Å; V281-F309 PolarHBondContact N-O 3.48Å; V281-F309 VanDerWaalsContact N-O 3.14Å; V281-F309 PolarHBondContact O-N 3.35Å; V281-F349 HydrophobicContact CG2-CD1 4.13Å; V281-F349 HydrophobicContact CG2-CE1 3.43Å; V281-F349 VanDerWaalsContact CG2-CE1 3.43Å; V281-F349 HydrophobicContact CG2-CZ 4.06Å; V281-L363 HydrophobicContact CB-CD2 4.27Å; V281-L363 HydrophobicContact CG1-CD2 3.94Å; V281-L363 HydrophobicContact CG2-CD2 3.81Å |
| 282 | Y | 87.3 | Confident | 82.5 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | -175.1 | -52.3 | -76 | 0 | 0 | 0 | 109.5 | T257 S273 V274 F280 H305 T308 | T257-Y282 HydrophobicContact CG2-CE1 4.34Å; T257-Y282 WeakPolarHBondContact CG2-OH 3.34Å; T257-Y282 PolarHBondContact OG1-OH 3.49Å; S273-Y282 WeakPolarHBondContact CA-O 3.33Å; V274-Y282 PolarHBondContact N-O 3.34Å; V274-Y282 PolarHBondContact O-N 3.47Å; F280-Y282 HydrophobicContact CB-CE1 4.08Å; F280-Y282 HydrophobicContact CB-CE2 4.02Å; F280-Y282 WeakPolarHBondContact CB-OH 3.22Å; Y282-H305 AromaticContact CD1-CE1 3.84Å; Y282-H305 AromaticContact CD1-NE2 3.5Å; Y282-H305 WeakPolarHBondContact CD1-NE2 3.26Å; Y282-T308 HydrophobicContact CD1-CG2 3.95Å; Y282-T308 HydrophobicContact CE1-CG2 3.9Å |
| 283 | L | 88.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.3 | 173.2 | -67.9 | -167.5 | 0 | 0 | 0 | 110.9 | I267 I272 H305 I306 A307 F309 I377 F382 | I267-L283 HydrophobicContact CD1-CD2 3.4Å; I272-L283 WeakPolarHBondContact O-CA 3.44Å; L283-H305 PolarHBondContact O-CD2 3.27Å; L283-H305 VanDerWaalsContact O-CD2 3.3Å; L283-I306 HydrophobicContact CB-CD1 4.17Å; L283-I306 HydrophobicContact CB-CG1 3.63Å; L283-I306 WeakPolarHBondContact O-CG1 3.43Å; L283-I306 PolarHBondContact O-N 2.64Å; L283-A307 HydrophobicContact CB-CB 4.38Å; L283-A307 HydrophobicContact CD1-CB 4.27Å; L283-A307 PolarHBondContact N-O 2.82Å; L283-F309 HydrophobicContact CD1-CE2 3.73Å; L283-F309 HydrophobicContact CD1-CZ 4.18Å; L283-F309 HydrophobicContact CD2-CE2 4.14Å; L283-F309 HydrophobicContact CG-CD2 4.42Å; L283-F309 HydrophobicContact CG-CE2 3.75Å; L283-I377 HydrophobicContact CD1-CG2 4.09Å; L283-F382 HydrophobicContact CD1-CD2 4.46Å |
| 284 | Y | 87.9 | Confident | 79.2 | Confident | 13 Ų | 13 | 39 Ų | 39 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.9 | 171.8 | -65.6 | -98.5 | 0 | 0 | 0 | 110.7 | W239 V253 V271 I272 V274 P303 V304 H305 | W239-Y284 HydrophobicContact CH2-CG 4.49Å; W239-Y284 AromaticContact CZ2-CD1 3.82Å; W239-Y284 HydrophobicContact CZ2-CD1 3.82Å; W239-Y284 AromaticContact CZ2-CD2 3.95Å; W239-Y284 HydrophobicContact CZ2-CD2 3.95Å; W239-Y284 HydrophobicContact CZ2-CE1 4.19Å; W239-Y284 HydrophobicContact CZ2-CE2 4.33Å; W239-Y284 AromaticContact CZ2-CG 3.69Å; W239-Y284 HydrophobicContact CZ2-CG 3.69Å; W239-Y284 AromaticContact NE1-CE2 3.79Å; V253-Y284 HydrophobicContact CG1-CE1 4.42Å; V271-Y284 WeakPolarHBondContact CA-O 3.21Å; I272-Y284 PolarHBondContact N-O 3.31Å; I272-Y284 PolarHBondContact O-N 2.93Å; V274-Y284 HydrophobicContact CG2-CD2 4.01Å; V274-Y284 HydrophobicContact CG2-CE2 4.16Å; Y284-P303 HydrophobicContact CD1-CB 4.31Å; Y284-V304 CarbonylContact C-O 3.59Å; Y284-V304 VanDerWaalsContact CA-O 3.29Å; Y284-V304 WeakPolarHBondContact CA-O 3.48Å; Y284-H305 HydrophobicContact CD1-CB 3.97Å; Y284-H305 HydrophobicContact CE1-CB 3.71Å |
| 285 | S | 87.2 | Confident | 77.3 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.5 | 166.1 | -164.6 | 0 | 0 | 0 | 0 | 110.3 | N270 V304 | N270-S285 CarbonylContact O-C 3.46Å; N270-S285 WeakPolarHBondContact O-CA 3.49Å; N270-S285 PolarHBondContact O-OG 3.01Å; S285-V304 PolarHBondContact N-O 2.9Å; S285-V304 PolarHBondContact O-N 3.13Å |
| 286 | L | 86.6 | Confident | 75.4 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 120.8 | -177.7 | -57.7 | -179.1 | 0 | 0 | 0 | 110.3 | W239 L241 F266 N270 I272 I291 P303 | W239-L286 HydrophobicContact CH2-CD2 3.96Å; W239-L286 HydrophobicContact CZ3-CD2 4.28Å; L241-L286 HydrophobicContact CD1-CD1 3.81Å; L241-L286 HydrophobicContact CD1-CD2 3.86Å; L241-L286 HydrophobicContact CD1-CG 4.41Å; L241-L286 HydrophobicContact CD2-CD1 4.28Å; F266-L286 HydrophobicContact CE1-CD1 3.99Å; N270-L286 PolarHBondContact O-N 2.85Å; I272-L286 HydrophobicContact CD1-CD2 4.3Å; I272-L286 HydrophobicContact CG1-CD2 4.42Å; I272-L286 HydrophobicContact CG2-CD1 3.88Å; L286-I291 HydrophobicContact CB-CD1 4.18Å; L286-I291 HydrophobicContact CB-CG1 4.25Å; L286-P303 HydrophobicContact CD2-CB 4.04Å; L286-P303 HydrophobicContact CD2-CG 4.08Å |
| 287 | P | 81.8 | Confident | 73.6 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 146.3 | 170.1 | 22.7 | -30.5 | 0 | 0 | 0 | 111.7 | S289 L290 D301 | P287-S289 PolarHBondContact O-N 3.33Å; P287-S289 VanDerWaalsContact O-N 3.13Å; P287-L290 HydrophobicContact CG-CD1 3.88Å; P287-L290 HydrophobicContact CG-CG 4.12Å; P287-L290 PolarHBondContact O-N 3.24Å; P287-D301 HydrophobicContact CB-CB 3.92Å; P287-D301 HydrophobicContact CG-CB 3.67Å |
| 288 | K | 76.6 | Confident | 71.9 | Confident | 170 Ų | 170 | 62.9 Ų | 62.9 | 74% | 0.739 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.3 | -29.1 | -170.9 | -69.3 | -173.3 | 177.6 | -176.7 | 0 | 114.1 | L290 I291 I292 | K288-L290 VanDerWaalsContact C-N 3.28Å; K288-L290 PolarHBondContact O-N 2.74Å; K288-I291 PolarHBondContact O-N 3.09Å; K288-I292 PolarHBondContact O-N 3.23Å |
| 289 | S | 74.7 | Confident | 70.4 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -31.9 | 175.6 | 40.6 | 0 | 0 | 0 | 0 | 113.8 | P287 D301 | P287-S289 PolarHBondContact O-N 3.33Å; P287-S289 VanDerWaalsContact O-N 3.13Å; S289-D301 WeakPolarHBondContact CB-OD2 3.44Å; S289-D301 VanDerWaalsContact OG-CB 3.29Å; S289-D301 WeakPolarHBondContact OG-CB 3.4Å; S289-D301 PolarHBondContact OG-OD2 2.87Å |
| 290 | L | 75 | Confident | 69.1 | Low | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -80.2 | -24.8 | 176.9 | -60.2 | 179.9 | 0 | 0 | 0 | 113.1 | L241 N250 C251 P287 K288 P303 | L241-L290 HydrophobicContact CD1-CB 4.3Å; N250-L290 PolarHBondContact ND2-O 2.86Å; C251-L290 HydrophobicContact CB-CD1 4.09Å; C251-L290 HydrophobicContact CB-CD2 4.26Å; P287-L290 HydrophobicContact CG-CD1 3.88Å; P287-L290 HydrophobicContact CG-CG 4.12Å; P287-L290 PolarHBondContact O-N 3.24Å; K288-L290 VanDerWaalsContact C-N 3.28Å; K288-L290 PolarHBondContact O-N 2.74Å; L290-P303 HydrophobicContact CD1-CG 3.79Å |
| 291 | I | 72.9 | Confident | 68.2 | Low | 20 Ų | 20 | 77.7 Ų | 77.7 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -88.3 | -42 | -177.3 | -50.3 | 166.3 | 0 | 0 | 0 | 110.6 | T227 S269 N270 L286 K288 | T227-I291 HydrophobicContact CG2-CG2 4.26Å; T227-I291 WeakPolarHBondContact OG1-CG2 3.32Å; S269-I291 WeakPolarHBondContact O-CD1 3.47Å; N270-I291 HydrophobicContact CB-CD1 3.83Å; L286-I291 HydrophobicContact CB-CD1 4.18Å; L286-I291 HydrophobicContact CB-CG1 4.25Å; K288-I291 PolarHBondContact O-N 3.09Å |
| 292 | I | 66.7 | Low | 67.7 | Low | 113 Ų | 113 | 82.5 Ų | 82.5 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -122.7 | 110.8 | -177.4 | -56 | 176.7 | 0 | 0 | 0 | 108 | K288 S294 | K288-I292 PolarHBondContact O-N 3.23Å; I292-S294 PolarHBondContact O-N 3.1Å |
| 293 | Y | 54.3 | Low | 67.6 | Low | 130 Ų | 130 | 82.4 Ų | 82.4 | 51% | 0.51 | 41% | 0.413 | S | S | . | . | trans | -69.2 | 84.2 | -173.9 | -150.9 | -70.1 | 0 | 0 | 0 | 112.1 | ||||
| 294 | S | 53.8 | Low | 67.4 | Low | 64 Ų | 64 | 85 Ų | 85 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | trans | -86.5 | 138.6 | 169.6 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | I292 D296 | I292-S294 PolarHBondContact O-N 3.1Å; S294-D296 VanDerWaalsContact C-N 3.34Å | ||
| 295 | R | 50.7 | Low | 67.2 | Low | 229 Ų | 229 | 86.6 Ų | 86.6 | 86% | 0.864 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -83.1 | -9.5 | 178.8 | -75.1 | -176.1 | 172 | 172.5 | -2.2 | 114 | ||
| 296 | D | 47 | Very low | 67.1 | Low | 145 Ų | 145 | 85.8 Ų | 85.8 | 78% | 0.775 | 43% | 0.431 | S | S | * | . | trans | -105.9 | 8 | -160.9 | -56.4 | -25.7 | 0 | 0 | 0 | 114.3 | S294 | S294-D296 VanDerWaalsContact C-N 3.34Š| ||
| 297 | S | 46 | Very low | 67 | Low | 58 Ų | 58 | 85.6 Ų | 85.6 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -104.8 | 107 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | Y299 | S297-Y299 VanDerWaalsContact C-N 3.31Å; S297-Y299 PolarHBondContact O-N 2.9Å | ||
| 298 | I | 44.9 | Very low | 67.2 | Low | 167 Ų | 167 | 84.7 Ų | 84.7 | 86% | 0.856 | 42% | 0.424 | S | S | * | . | trans | -81.3 | -7.4 | -177.8 | -66.3 | 172.4 | 0 | 0 | 0 | 113 | ||||
| 299 | Y | 47.3 | Very low | 67.6 | Low | 199 Ų | 199 | 76.8 Ų | 76.8 | 78% | 0.78 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -83.8 | 136.5 | 179 | -69.8 | -78.7 | 0 | 0 | 0 | 112.4 | S297 D301 | S297-Y299 VanDerWaalsContact C-N 3.31Å; S297-Y299 PolarHBondContact O-N 2.9Å; Y299-D301 VanDerWaalsContact C-N 3.29Å; Y299-D301 PolarHBondContact O-N 3.39Å |
| 300 | T | 51.9 | Low | 68 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 82% | 0.816 | 38% | 0.383 | S | S | * | . | trans | -75.8 | 80.6 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 110 | V302 | T300-V302 PolarHBondContact O-N 3.35Š| ||
| 301 | D | 65.1 | Low | 68 | Low | 70 Ų | 70 | 75 Ų | 75 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | trans | -70.2 | 108 | 178.5 | -80.7 | -19.2 | 0 | 0 | 0 | 111.1 | P287 S289 Y299 | P287-D301 HydrophobicContact CB-CB 3.92Å; P287-D301 HydrophobicContact CG-CB 3.67Å; S289-D301 WeakPolarHBondContact CB-OD2 3.44Å; S289-D301 VanDerWaalsContact OG-CB 3.29Å; S289-D301 WeakPolarHBondContact OG-CB 3.4Å; S289-D301 PolarHBondContact OG-OD2 2.87Å; Y299-D301 VanDerWaalsContact C-N 3.29Å; Y299-D301 PolarHBondContact O-N 3.39Å | ||
| 302 | V | 75.9 | Confident | 68 | Low | 101 Ų | 101 | 77.6 Ų | 77.6 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 142.7 | -178.7 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | T300 | T300-V302 PolarHBondContact O-N 3.35Š|
| 303 | P | 84.6 | Confident | 67.6 | Low | 13 Ų | 13 | 74.5 Ų | 74.5 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 136.6 | 171.2 | -26.5 | 36.3 | 0 | 0 | 0 | 113.1 | W239 C251 V253 Y284 L286 L290 | W239-P303 HydrophobicContact CH2-CB 3.69Å; W239-P303 HydrophobicContact CH2-CG 3.62Å; W239-P303 HydrophobicContact CZ2-CB 4.15Å; W239-P303 HydrophobicContact CZ2-CG 4.41Å; W239-P303 HydrophobicContact CZ3-CG 4.4Å; C251-P303 VanDerWaalsContact SG-CD 3.53Å; C251-P303 WeakPolarHBondContact SG-CG 3.09Å; V253-P303 HydrophobicContact CG2-CB 4.49Å; V253-P303 HydrophobicContact CG2-CG 4.04Å; Y284-P303 HydrophobicContact CD1-CB 4.31Å; L286-P303 HydrophobicContact CD2-CB 4.04Å; L286-P303 HydrophobicContact CD2-CG 4.08Å; L290-P303 HydrophobicContact CD1-CG 3.79Å |
| 304 | V | 84.2 | Confident | 67.6 | Low | 53 Ų | 53 | 72.8 Ų | 72.8 | 32% | 0.321 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.8 | -177.7 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | Y284 S285 I306 | Y284-V304 CarbonylContact C-O 3.59Å; Y284-V304 VanDerWaalsContact CA-O 3.29Å; Y284-V304 WeakPolarHBondContact CA-O 3.48Å; S285-V304 PolarHBondContact N-O 2.9Å; S285-V304 PolarHBondContact O-N 3.13Å; V304-I306 HydrophobicContact CG1-CG2 4.16Å; V304-I306 PolarHBondContact O-N 3.32Å |
| 305 | H | 84 | Confident | 67.2 | Low | 48 Ų | 48 | 74.7 Ų | 74.7 | 22% | 0.222 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 115.7 | 172 | -175.4 | -143.6 | 0 | 0 | 0 | 109.7 | Y282 L283 Y284 A307 T308 | Y282-H305 AromaticContact CD1-CE1 3.84Å; Y282-H305 AromaticContact CD1-NE2 3.5Å; Y282-H305 WeakPolarHBondContact CD1-NE2 3.26Å; L283-H305 PolarHBondContact O-CD2 3.27Å; L283-H305 VanDerWaalsContact O-CD2 3.3Å; Y284-H305 HydrophobicContact CD1-CB 3.97Å; Y284-H305 HydrophobicContact CE1-CB 3.71Å; H305-A307 PolarHBondContact NE2-O 3.28Å; H305-T308 PolarHBondContact CE1-OG1 3.22Å; H305-T308 VanDerWaalsContact CE1-OG1 3.22Å; H305-T308 PolarHBondContact NE2-OG1 3.42Å |
| 306 | I | 85 | Confident | 66.6 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -28.1 | -169 | 61.8 | 171.7 | 0 | 0 | 0 | 114.9 | V271 L283 V304 F382 T383 I386 P405 | V271-I306 HydrophobicContact CG1-CD1 4.35Å; L283-I306 HydrophobicContact CB-CD1 4.17Å; L283-I306 HydrophobicContact CB-CG1 3.63Å; L283-I306 WeakPolarHBondContact O-CG1 3.43Å; L283-I306 PolarHBondContact O-N 2.64Å; V304-I306 HydrophobicContact CG1-CG2 4.16Å; V304-I306 PolarHBondContact O-N 3.32Å; I306-F382 HydrophobicContact CB-CB 4.42Å; I306-F382 HydrophobicContact CD1-CB 4.2Å; I306-F382 HydrophobicContact CG1-CB 4.49Å; I306-T383 HydrophobicContact CD1-CG2 4.11Å; I306-I386 HydrophobicContact CB-CD1 3.76Å; I306-I386 HydrophobicContact CG2-CD1 3.69Å; I306-P405 WeakPolarHBondContact O-CG 3.38Å |
| 307 | A | 84.5 | Confident | 65.9 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 151.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L283 H305 F382 V404 P405 | L283-A307 HydrophobicContact CB-CB 4.38Å; L283-A307 HydrophobicContact CD1-CB 4.27Å; L283-A307 PolarHBondContact N-O 2.82Å; H305-A307 PolarHBondContact NE2-O 3.28Å; A307-F382 HydrophobicContact CB-CD1 3.78Å; A307-F382 HydrophobicContact CB-CD2 4.35Å; A307-F382 HydrophobicContact CB-CE1 3.87Å; A307-F382 HydrophobicContact CB-CE2 4.42Å; A307-F382 HydrophobicContact CB-CG 4.03Å; A307-F382 HydrophobicContact CB-CZ 4.19Å; A307-V404 VanDerWaalsContact CA-CG1 3.48Å; A307-P405 HydrophobicContact CB-CG 4.33Å |
| 308 | T | 86.1 | Confident | 65.2 | Low | 13 Ų | 13 | 70.8 Ų | 70.8 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.8 | 173.4 | -52.4 | 0 | 0 | 0 | 0 | 109.8 | F280 V281 Y282 H305 P405 I406 T407 | F280-T308 HydrophobicContact CB-CG2 4.48Å; F280-T308 HydrophobicContact CD1-CG2 3.75Å; V281-T308 CarbonylContact O-C 3.49Å; V281-T308 WeakPolarHBondContact O-CA 3.29Å; Y282-T308 HydrophobicContact CD1-CG2 3.95Å; Y282-T308 HydrophobicContact CE1-CG2 3.9Å; H305-T308 PolarHBondContact CE1-OG1 3.22Å; H305-T308 VanDerWaalsContact CE1-OG1 3.22Å; H305-T308 PolarHBondContact NE2-OG1 3.42Å; T308-P405 PolarHBondContact N-O 3.35Å; T308-I406 CarbonylContact O-C 3.54Å; T308-I406 VanDerWaalsContact O-CA 3.28Å; T308-I406 WeakPolarHBondContact O-CA 3.48Å; T308-T407 PolarHBondContact O-N 2.9Å; T308-T407 PolarHBondContact O-OG1 3.46Å |
| 309 | F | 85.4 | Confident | 64.5 | Low | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.013 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.4 | 166.6 | -60.7 | -76.8 | 0 | 0 | 0 | 110 | F280 V281 L283 W375 I377 F382 T407 | F280-F309 WeakPolarHBondContact CA-O 3.48Å; F280-F309 WeakPolarHBondContact CD1-O 3.24Å; V281-F309 HydrophobicContact CB-CB 4.15Å; V281-F309 HydrophobicContact CB-CD2 4.2Å; V281-F309 HydrophobicContact CG1-CD2 4.5Å; V281-F309 PolarHBondContact N-O 3.48Å; V281-F309 VanDerWaalsContact N-O 3.14Å; V281-F309 PolarHBondContact O-N 3.35Å; L283-F309 HydrophobicContact CD1-CE2 3.73Å; L283-F309 HydrophobicContact CD1-CZ 4.18Å; L283-F309 HydrophobicContact CD2-CE2 4.14Å; L283-F309 HydrophobicContact CG-CD2 4.42Å; L283-F309 HydrophobicContact CG-CE2 3.75Å; F309-W375 HydrophobicContact CB-CD2 4.25Å; F309-W375 HydrophobicContact CB-CG 4.07Å; F309-W375 HydrophobicContact CD1-CB 3.6Å; F309-W375 AromaticContact CD1-CD1 3.43Å; F309-W375 VanDerWaalsContact CD1-CD1 3.43Å; F309-W375 AromaticContact CD1-CG 3.62Å; F309-W375 HydrophobicContact CD1-CG 3.62Å; F309-W375 HydrophobicContact CE1-CB 3.83Å; F309-W375 HydrophobicContact CE1-CG 4.35Å; F309-W375 HydrophobicContact CG-CB 4.22Å; F309-W375 AromaticContact CG-CD1 3.95Å; F309-W375 HydrophobicContact CG-CG 4.01Å; F309-I377 HydrophobicContact CE2-CG1 3.94Å; F309-I377 HydrophobicContact CZ-CB 4.48Å; F309-I377 HydrophobicContact CZ-CG1 3.77Å; F309-F382 HydrophobicContact CZ-CE2 4.49Å; F309-T407 WeakPolarHBondContact CA-O 3.42Å; F309-T407 WeakPolarHBondContact CD1-OG1 3.16Å; F309-T407 VanDerWaalsContact CE1-OG1 3.32Å; F309-T407 WeakPolarHBondContact CE1-OG1 3.36Å |
| 310 | S | 83.4 | Confident | 63.7 | Low | 12 Ų | 12 | 67.1 Ų | 67.1 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | trans | -103.5 | 144.8 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | F312 W375 T407 P409 | S310-F312 VanDerWaalsContact C-N 3.35Å; S310-F312 WeakPolarHBondContact OG-CD2 3.48Å; S310-F312 PolarHBondContact OG-N 2.84Å; S310-W375 PolarHBondContact O-NE1 2.95Å; S310-T407 PolarHBondContact N-O 2.96Å; S310-P409 WeakPolarHBondContact O-CD 3.38Å | ||
| 311 | P | 74.7 | Confident | 62.5 | Low | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | trans | -78.9 | -14 | 174.5 | 33.9 | -38.3 | 0 | 0 | 0 | 114.1 | V313 F346 L373 | P311-V313 PolarHBondContact O-N 3.21Å; P311-F346 HydrophobicContact CB-CE2 3.45Å; P311-F346 VanDerWaalsContact CB-CE2 3.45Å; P311-F346 HydrophobicContact CB-CZ 3.43Å; P311-F346 VanDerWaalsContact CB-CZ 3.43Å; P311-F346 HydrophobicContact CG-CE2 4.18Å; P311-L373 HydrophobicContact CB-CD1 4.4Å | ||
| 312 | F | 72.8 | Confident | 60.8 | Low | 74 Ų | 74 | 73 Ų | 73 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | trans | -78.3 | 117.5 | -172.1 | -60 | -65.2 | 0 | 0 | 0 | 112 | F280 S310 V314 I340 | F280-F312 HydrophobicContact CE2-CE2 4.35Å; F280-F312 HydrophobicContact CZ-CD2 4.4Å; F280-F312 AromaticContact CZ-CE2 3.92Å; F280-F312 HydrophobicContact CZ-CE2 3.92Å; S310-F312 VanDerWaalsContact C-N 3.35Å; S310-F312 WeakPolarHBondContact OG-CD2 3.48Å; S310-F312 PolarHBondContact OG-N 2.84Å; F312-V314 PolarHBondContact O-N 2.98Å; F312-I340 HydrophobicContact CD1-CG2 3.86Å; F312-I340 HydrophobicContact CE1-CG2 4.49Å | ||
| 313 | V | 58.1 | Low | 58.7 | Low | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | trans | -75.3 | 106.3 | 172 | -175.6 | 0 | 0 | 0 | 0 | 109 | P311 N315 P409 C412 | P311-V313 PolarHBondContact O-N 3.21Å; V313-N315 PolarHBondContact O-N 3.1Å; V313-P409 HydrophobicContact CG2-CG 3.87Å; V313-C412 HydrophobicContact CG2-CB 3.96Å | ||
| 314 | V | 54.6 | Low | 56.2 | Low | 95 Ų | 95 | 85.3 Ų | 85.3 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | trans | -79.3 | 106.1 | 167.4 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | F312 N316 | F312-V314 PolarHBondContact O-N 2.98Å; V314-N316 VanDerWaalsContact C-N 3.29Å; V314-N316 WeakPolarHBondContact CG1-OD1 3.3Å; V314-N316 PolarHBondContact O-N 2.94Å | ||
| 315 | N | 44.3 | Very low | 53.5 | Low | 103 Ų | 103 | 88.4 Ų | 88.4 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | trans | -68.1 | 84.1 | 177.1 | -79.4 | -21.7 | 0 | 0 | 0 | 110.8 | V313 S317 | V313-N315 PolarHBondContact O-N 3.1Å; N315-S317 PolarHBondContact O-N 3.4Å; N315-S317 PolarHBondContact O-OG 3.28Å | ||
| 316 | N | 38 | Very low | 50.9 | Low | 138 Ų | 138 | 95.3 Ų | 95.3 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | trans | -73.6 | 63.9 | 179.7 | -77.9 | -26.1 | 0 | 0 | 0 | 112.5 | V314 S318 | V314-N316 VanDerWaalsContact C-N 3.29Å; V314-N316 WeakPolarHBondContact CG1-OD1 3.3Å; V314-N316 PolarHBondContact O-N 2.94Å; N316-S318 PolarHBondContact O-N 3.48Å | ||
| 317 | S | 33.4 | Very low | 48.3 | Very low | 110 Ų | 110 | 98.5 Ų | 98.5 | 77% | 0.769 | 54% | 0.538 | S | S | * | . | trans | -78.7 | 43.1 | 177.5 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | N315 | N315-S317 PolarHBondContact O-N 3.4Å; N315-S317 PolarHBondContact O-OG 3.28Å | ||
| 318 | S | 31 | Very low | 45.7 | Very low | 102 Ų | 102 | 105.2 Ų | 105.2 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -164.7 | 124 | 156.9 | 36.8 | 0 | 0 | 0 | 0 | 115.3 | N316 | N316-S318 PolarHBondContact O-N 3.48Š|
| 319 | N | 31.1 | Very low | 43.1 | Very low | 150 Ų | 150 | 110.5 Ų | 110.5 | 80% | 0.802 | 61% | 0.61 | S | S | * | * | trans | 26.2 | 102.3 | 147.6 | -61.2 | -23.1 | 0 | 0 | 0 | 120.9 | ||||
| 320 | I | 29.1 | Very low | 40.3 | Very low | 140 Ų | 140 | 117 Ų | 117 | 72% | 0.718 | 65% | 0.645 | S | S | * | * | 32.3 | 114 | 107.5 | -59.5 | 179.4 | 0 | 0 | 0 | 117 | |||||
| 321 | K | 27.4 | Very low | 37.6 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | 67.2 | 111.5 | 157.8 | -63.1 | 166.7 | -172.7 | 173.9 | 0 | 118.5 | ||||
| 322 | T | 29.4 | Very low | 35.3 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | -165 | 162.9 | 103.8 | 14.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 323 | K | 31.9 | Very low | 33.3 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | trans | -82.4 | 130.7 | 168.5 | -64.7 | 176.3 | 176.6 | -179.3 | 0 | 109.4 | ||||
| 324 | I | 31.1 | Very low | 31.8 | Very low | 167 Ų | 167 | 140 Ų | 140 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -139.3 | 146.4 | 154.1 | -64.3 | -171.5 | 0 | 0 | 0 | 109 | ||||
| 325 | D | 28.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 155.7 | -179.3 | -103.6 | -91.9 | 0 | 0 | 0 | 113.8 | ||||
| 326 | K | 29.7 | Very low | 29.9 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 31 | 114.1 | 144.7 | -60.9 | 169.4 | -173.7 | 113.8 | 0 | 119.3 | ||||
| 327 | G | 29.9 | Very low | 29.4 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 153.4 | 158.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 328 | V | 29 | Very low | 29.4 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 65.8 | 98.3 | 168.5 | -169.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 329 | V | 31.6 | Very low | 29.6 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 160 | 152.2 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 330 | D | 27.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 67.3 | 73.9 | 172.2 | -58.9 | -31.1 | 0 | 0 | 0 | 119.4 | ||
| 331 | H | 26.8 | Very low | 30.9 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -161.1 | -4.1 | 138.2 | -118.3 | 63.7 | 0 | 0 | 0 | 119 | I333 | H331-I333 PolarHBondContact O-N 2.92Š| ||
| 332 | C | 26.4 | Very low | 31.8 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 53.6 | -169.9 | -63 | 0 | 0 | 0 | 0 | 115.7 | ||
| 333 | I | 31.2 | Very low | 32.9 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 80% | 0.795 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -22.2 | 175.3 | -68.5 | 179.4 | 0 | 0 | 0 | 113.4 | H331 | H331-I333 PolarHBondContact O-N 2.92Š|
| 334 | N | 27 | Very low | 33.9 | Very low | 157 Ų | 157 | 119 Ų | 119 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -110.1 | 21 | -162.6 | -75.3 | -9.6 | 0 | 0 | 0 | 116.9 | ||
| 335 | S | 28.1 | Very low | 35.1 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | trans | -145.5 | 26.2 | -178.6 | 77.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 336 | I | 29.2 | Very low | 36.8 | Very low | 125 Ų | 125 | 111.6 Ų | 111.6 | 64% | 0.641 | 63% | 0.629 | S | S | * | * | trans | -108 | 79.4 | 171.8 | -56.4 | -178.2 | 0 | 0 | 0 | 109.4 | T338 | I336-T338 VanDerWaalsContact C-N 3.29Å; I336-T338 WeakPolarHBondContact CG2-OG1 3.37Å; I336-T338 PolarHBondContact O-N 3.42Å | ||
| 337 | T | 28.3 | Very low | 38.1 | Very low | 149 Ų | 149 | 103.9 Ų | 103.9 | 91% | 0.914 | 61% | 0.605 | S | S | * | * | trans | -95.7 | 52.1 | 165.9 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 338 | T | 33 | Very low | 40.2 | Very low | 83 Ų | 83 | 101.5 Ų | 101.5 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -96.2 | 144.5 | 155.6 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | I336 I340 | I336-T338 VanDerWaalsContact C-N 3.29Å; I336-T338 WeakPolarHBondContact CG2-OG1 3.37Å; I336-T338 PolarHBondContact O-N 3.42Å; T338-I340 VanDerWaalsContact C-N 3.34Å; T338-I340 PolarHBondContact O-N 3.38Å |
| 339 | T | 35.7 | Very low | 42.4 | Very low | 127 Ų | 127 | 96 Ų | 96 | 78% | 0.779 | 54% | 0.541 | S | S | * | . | trans | -65.1 | 86.2 | -176 | 37.1 | 0 | 0 | 0 | 0 | 112.5 | T341 | T339-T341 VanDerWaalsContact C-N 3.33Å; T339-T341 PolarHBondContact O-N 3.39Å | ||
| 340 | I | 40.6 | Very low | 44.5 | Very low | 89 Ų | 89 | 91.2 Ų | 91.2 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | trans | -65.1 | 98.6 | 159.2 | -57.6 | 172.3 | 0 | 0 | 0 | 105.9 | F312 T338 T342 | F312-I340 HydrophobicContact CD1-CG2 3.86Å; F312-I340 HydrophobicContact CE1-CG2 4.49Å; T338-I340 VanDerWaalsContact C-N 3.34Å; T338-I340 PolarHBondContact O-N 3.38Å; I340-T342 PolarHBondContact O-N 3.24Å | ||
| 341 | T | 46.3 | Very low | 46.4 | Very low | 73 Ų | 73 | 88.2 Ų | 88.2 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | trans | -60.1 | 102.1 | 168.5 | 48.9 | 0 | 0 | 0 | 0 | 107.7 | T339 V343 | T339-T341 VanDerWaalsContact C-N 3.33Å; T339-T341 PolarHBondContact O-N 3.39Å; T341-V343 PolarHBondContact O-N 3.46Å | ||
| 342 | T | 46.9 | Very low | 48.6 | Very low | 56 Ų | 56 | 80.8 Ų | 80.8 | 34% | 0.344 | 47% | 0.471 | S | S | . | . | trans | -70.3 | 102.3 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | I340 Q344 | I340-T342 PolarHBondContact O-N 3.24Å; T342-Q344 VanDerWaalsContact C-N 3.29Å; T342-Q344 WeakPolarHBondContact O-CG 3.46Å; T342-Q344 PolarHBondContact O-N 2.68Å | ||
| 343 | V | 53.3 | Low | 51 | Low | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | trans | -70.7 | 91.4 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | T341 K345 F346 T367 | T341-V343 PolarHBondContact O-N 3.46Å; V343-K345 VanDerWaalsContact C-N 3.31Å; V343-K345 PolarHBondContact O-N 2.66Å; V343-F346 HydrophobicContact CB-CE2 4.02Å; V343-F346 HydrophobicContact CG1-CD2 3.86Å; V343-F346 HydrophobicContact CG1-CE2 3.28Å; V343-F346 HydrophobicContact CG1-CZ 3.83Å; V343-T367 HydrophobicContact CG1-CG2 3.52Å; V343-T367 HydrophobicContact CG2-CG2 4.24Å | ||
| 344 | Q | 53 | Low | 52.9 | Low | 114 Ų | 114 | 73.5 Ų | 73.5 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | trans | -69.5 | -29.8 | -169.6 | -63 | -169.8 | -4 | 0 | 0 | 112.7 | T342 | T342-Q344 VanDerWaalsContact C-N 3.29Å; T342-Q344 WeakPolarHBondContact O-CG 3.46Å; T342-Q344 PolarHBondContact O-N 2.68Å | ||
| 345 | K | 56.2 | Low | 55 | Low | 111 Ų | 111 | 66.2 Ų | 66.2 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | trans | -147.2 | 145.8 | 177.8 | -67.3 | -173.6 | 179.3 | 173.9 | 0 | 112.1 | V343 T368 | V343-K345 VanDerWaalsContact C-N 3.31Å; V343-K345 PolarHBondContact O-N 2.66Å; K345-T368 HydrophobicContact CB-CG2 3.95Å; K345-T368 PolarHBondContact O-N 3.46Å; K345-T368 PolarHBondContact O-OG1 3.42Å | ||
| 346 | F | 63.3 | Low | 56.8 | Low | 18 Ų | 18 | 64 Ų | 64 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142 | 165.9 | -84.2 | -104.4 | 0 | 0 | 0 | 111.1 | Q277 P311 V343 F349 A365 T367 L373 W375 | Q277-F346 PolarHBondContact O-N 2.88Å; Q277-F346 VanDerWaalsContact O-N 3.11Å; P311-F346 HydrophobicContact CB-CE2 3.45Å; P311-F346 VanDerWaalsContact CB-CE2 3.45Å; P311-F346 HydrophobicContact CB-CZ 3.43Å; P311-F346 VanDerWaalsContact CB-CZ 3.43Å; P311-F346 HydrophobicContact CG-CE2 4.18Å; V343-F346 HydrophobicContact CB-CE2 4.02Å; V343-F346 HydrophobicContact CG1-CD2 3.86Å; V343-F346 HydrophobicContact CG1-CE2 3.28Å; V343-F346 HydrophobicContact CG1-CZ 3.83Å; F346-F349 HydrophobicContact CB-CE2 3.94Å; F346-F349 HydrophobicContact CB-CZ 4.2Å; F346-F349 HydrophobicContact CD1-CE1 4.28Å; F346-F349 HydrophobicContact CD1-CE2 4.26Å; F346-F349 AromaticContact CD1-CZ 3.82Å; F346-F349 HydrophobicContact CD1-CZ 3.82Å; F346-F349 HydrophobicContact CE1-CZ 4.5Å; F346-F349 HydrophobicContact CG-CE2 4.26Å; F346-F349 HydrophobicContact CG-CZ 4.01Å; F346-A365 HydrophobicContact CD1-CB 3.82Å; F346-A365 HydrophobicContact CE1-CB 3.76Å; F346-T367 HydrophobicContact CD1-CG2 4.5Å; F346-T367 HydrophobicContact CE1-CG2 3.87Å; F346-T367 HydrophobicContact CE2-CG2 4.44Å; F346-T367 HydrophobicContact CZ-CG2 3.83Å; F346-L373 HydrophobicContact CE1-CD1 3.95Å; F346-L373 HydrophobicContact CZ-CD1 3.66Å; F346-W375 HydrophobicContact CE1-CH2 4.27Å |
| 347 | G | 57.6 | Low | 58.7 | Low | 31 Ų | 31 | 62.6 Ų | 62.6 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I24 G366 | I24-G347 VanDerWaalsContact O-CA 3.27Å; I24-G347 WeakPolarHBondContact O-CA 3.45Å; G347-G366 PolarHBondContact N-O 3.13Å |
| 348 | C | 73.1 | Confident | 60.8 | Low | 22 Ų | 22 | 58.4 Ų | 58.4 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 164.8 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | S26 I27 A365 G366 | S26-C348 WeakPolarHBondContact CA-SG 3.36Å; I27-C348 VanDerWaalsContact CG1-SG 3.53Å; I27-C348 PolarHBondContact N-SG 3.2Å; I27-C348 VanDerWaalsContact N-SG 3.44Å; C348-A365 WeakPolarHBondContact O-CA 3.21Å; C348-G366 PolarHBondContact N-O 3.05Å; C348-G366 PolarHBondContact O-N 3.47Å |
| 349 | F | 75.8 | Confident | 62.6 | Low | 26 Ų | 26 | 60.8 Ų | 60.8 | 11% | 0.114 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 159 | 169.8 | -68.3 | -92.8 | 0 | 0 | 0 | 109 | Y275 V281 F346 L363 A365 | Y275-F349 HydrophobicContact CD1-CB 4.33Å; Y275-F349 HydrophobicContact CD1-CG 4.22Å; Y275-F349 HydrophobicContact CD2-CB 4.23Å; Y275-F349 AromaticContact CD2-CD2 3.4Å; Y275-F349 HydrophobicContact CD2-CD2 3.4Å; Y275-F349 AromaticContact CD2-CE2 3.9Å; Y275-F349 HydrophobicContact CD2-CE2 3.9Å; Y275-F349 AromaticContact CD2-CG 3.88Å; Y275-F349 HydrophobicContact CD2-CG 3.88Å; Y275-F349 HydrophobicContact CE1-CB 4.19Å; Y275-F349 HydrophobicContact CE2-CB 4.1Å; Y275-F349 AromaticContact CE2-CD2 3.94Å; Y275-F349 HydrophobicContact CE2-CD2 3.94Å; Y275-F349 HydrophobicContact CE2-CG 4.25Å; Y275-F349 HydrophobicContact CG-CB 4.36Å; Y275-F349 HydrophobicContact CG-CD1 4.31Å; Y275-F349 AromaticContact CG-CD2 3.74Å; Y275-F349 HydrophobicContact CG-CD2 3.74Å; Y275-F349 HydrophobicContact CG-CE2 4.08Å; Y275-F349 AromaticContact CG-CG 3.88Å; Y275-F349 HydrophobicContact CG-CG 3.88Å; V281-F349 HydrophobicContact CG2-CD1 4.13Å; V281-F349 HydrophobicContact CG2-CE1 3.43Å; V281-F349 VanDerWaalsContact CG2-CE1 3.43Å; V281-F349 HydrophobicContact CG2-CZ 4.06Å; F346-F349 HydrophobicContact CB-CE2 3.94Å; F346-F349 HydrophobicContact CB-CZ 4.2Å; F346-F349 HydrophobicContact CD1-CE1 4.28Å; F346-F349 HydrophobicContact CD1-CE2 4.26Å; F346-F349 AromaticContact CD1-CZ 3.82Å; F346-F349 HydrophobicContact CD1-CZ 3.82Å; F346-F349 HydrophobicContact CE1-CZ 4.5Å; F346-F349 HydrophobicContact CG-CE2 4.26Å; F346-F349 HydrophobicContact CG-CZ 4.01Å; F349-L363 HydrophobicContact CD1-CD2 4.22Å; F349-A365 HydrophobicContact CD1-CB 3.43Å; F349-A365 VanDerWaalsContact CD1-CB 3.43Å; F349-A365 HydrophobicContact CE1-CB 3.52Å; F349-A365 HydrophobicContact CG-CB 4.16Å; F349-A365 HydrophobicContact CZ-CB 4.33Å |
| 350 | T | 74.8 | Confident | 64.4 | Low | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | trans | -118.9 | 157.9 | 166.4 | -146.6 | 0 | 0 | 0 | 0 | 110.4 | I27 L363 L364 | I27-T350 HydrophobicContact CG2-CG2 4.23Å; T350-L363 WeakPolarHBondContact O-CD1 3.34Å; T350-L364 HydrophobicContact CG2-CB 3.81Å; T350-L364 HydrophobicContact CG2-CD1 4.5Å; T350-L364 PolarHBondContact N-O 3.05Å | ||
| 351 | S | 68.4 | Low | 66.3 | Low | 76 Ų | 76 | 54.2 Ų | 54.2 | 53% | 0.531 | 30% | 0.303 | S | S | . | . | trans | -64.3 | 155.8 | 179.1 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | F353 | S351-F353 PolarHBondContact O-N 3.38Š| ||
| 352 | A | 73.5 | Confident | 68 | Low | 23 Ų | 23 | 51.8 Ų | 51.8 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | trans | -61.8 | 125.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I267 Y362 I377 | I267-A352 HydrophobicContact CB-CB 4.46Å; I267-A352 HydrophobicContact CG1-CB 3.92Å; I267-A352 HydrophobicContact CG2-CB 4.04Å; A352-Y362 CarbonylContact C-O 3.54Å; A352-Y362 VanDerWaalsContact CA-O 3.27Å; A352-Y362 WeakPolarHBondContact CA-O 3.22Å; A352-I377 HydrophobicContact CB-CD1 3.92Å | ||
| 353 | F | 74.9 | Confident | 69.8 | Low | 26 Ų | 26 | 49.2 Ų | 49.2 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 159.3 | 178.8 | 75.3 | -82 | 0 | 0 | 0 | 110.8 | L29 I50 S351 H355 Q361 Y362 L364 | L29-F353 HydrophobicContact CD1-CD2 4.47Å; L29-F353 HydrophobicContact CD1-CE2 4.29Å; L29-F353 HydrophobicContact CD1-CZ 4.4Å; L29-F353 HydrophobicContact CD2-CB 3.55Å; L29-F353 HydrophobicContact CD2-CD1 4.05Å; L29-F353 HydrophobicContact CD2-CD2 3.36Å; L29-F353 HydrophobicContact CD2-CE2 3.99Å; L29-F353 HydrophobicContact CD2-CG 3.38Å; I50-F353 HydrophobicContact CD1-CZ 4.4Å; S351-F353 PolarHBondContact O-N 3.38Å; F353-H355 HydrophobicContact CE2-CB 3.92Å; F353-Q361 CarbonylContact O-C 3.56Å; F353-Q361 VanDerWaalsContact O-CA 3.24Å; F353-Q361 WeakPolarHBondContact O-CA 3.42Å; F353-Y362 WeakPolarHBondContact CD1-O 3.28Å; F353-Y362 HydrophobicContact CE1-CG 4.48Å; F353-Y362 HydrophobicContact CZ-CG 4.28Å; F353-Y362 PolarHBondContact N-O 3.33Å; F353-Y362 PolarHBondContact O-N 3.46Å; F353-L364 HydrophobicContact CD1-CD1 4.28Å; F353-L364 HydrophobicContact CE1-CD1 3.46Å; F353-L364 VanDerWaalsContact CE1-CD1 3.46Å; F353-L364 HydrophobicContact CE1-CG 3.82Å; F353-L364 HydrophobicContact CZ-CD1 3.93Å; F353-L364 HydrophobicContact CZ-CG 4.47Å |
| 354 | I | 72.5 | Confident | 71.4 | Confident | 101 Ų | 101 | 49 Ų | 49 | 52% | 0.518 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126 | 172 | -60.8 | 173 | 0 | 0 | 0 | 107.8 | N360 Q361 | I354-N360 WeakPolarHBondContact CA-O 3.31Å; I354-Q361 HydrophobicContact CG1-CG 3.87Å |
| 355 | H | 70.4 | Confident | 73 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | trans | -81.2 | 131.1 | 179 | 170.2 | -104.7 | 0 | 0 | 0 | 110.5 | F353 N357 D358 N359 N360 Y362 | F353-H355 HydrophobicContact CE2-CB 3.92Å; H355-N357 VanDerWaalsContact C-N 3.26Å; H355-N357 PolarHBondContact O-N 3.06Å; H355-N357 VanDerWaalsContact O-N 3.13Å; H355-D358 WeakPolarHBondContact CB-OD1 3.05Å; H355-D358 IonicContact CG-OD1 2.84Å; H355-D358 IonicContact ND1-OD1 3.61Å; H355-D358 PolarHBondContact ND1-OD1 2.9Å; H355-D358 PolarHBondContact O-N 3.44Å; H355-N359 PolarHBondContact O-N 2.96Å; H355-N360 PolarHBondContact N-O 3.1Å; H355-N360 VanDerWaalsContact N-O 3.11Å; H355-Y362 HydrophobicContact CB-CD2 3.64Å; H355-Y362 HydrophobicContact CB-CE2 3.71Å | ||
| 356 | P | 66.9 | Low | 74.5 | Confident | 61 Ų | 61 | 38.2 Ų | 38.2 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.9 | -164.2 | 24.8 | -38 | 0 | 0 | 0 | 114.9 | D32 | D32-P356 WeakPolarHBondContact O-CG 3.29Š|
| 357 | N | 68.6 | Low | 75.5 | Confident | 95 Ų | 95 | 37.4 Ų | 37.4 | 51% | 0.508 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -9.3 | -172.5 | -65.9 | -60.2 | 0 | 0 | 0 | 114.6 | H355 | H355-N357 VanDerWaalsContact C-N 3.26Å; H355-N357 PolarHBondContact O-N 3.06Å; H355-N357 VanDerWaalsContact O-N 3.13Å |
| 358 | D | 72.4 | Confident | 76.6 | Confident | 60 Ų | 60 | 38 Ų | 38 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | 1.6 | -176.1 | 81.4 | -33.6 | 0 | 0 | 0 | 115.5 | H355 N360 Y362 | H355-D358 WeakPolarHBondContact CB-OD1 3.05Å; H355-D358 IonicContact CG-OD1 2.84Å; H355-D358 IonicContact ND1-OD1 3.61Å; H355-D358 PolarHBondContact ND1-OD1 2.9Å; H355-D358 PolarHBondContact O-N 3.44Å; D358-N360 PolarHBondContact O-N 3.24Å; D358-N360 PolarHBondContact O-ND2 3.48Å; D358-N360 PolarHBondContact OD1-N 3.32Å; D358-N360 WeakPolarHBondContact OD2-CB 3.36Å; D358-N360 PolarHBondContact OD2-ND2 2.87Å; D358-Y362 PolarHBondContact OD2-OH 2.97Å |
| 359 | N | 69.6 | Low | 76.7 | Confident | 133 Ų | 133 | 41.8 Ų | 41.8 | 71% | 0.711 | 23% | 0.229 | S | C | * | . | trans | 55.8 | 13 | 178.7 | -74.9 | -19.2 | 0 | 0 | 0 | 115.7 | H355 | H355-N359 PolarHBondContact O-N 2.96Š| ||
| 360 | N | 75 | Confident | 76.9 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | trans | -85.3 | 149.9 | 176.1 | -69.3 | -56.6 | 0 | 0 | 0 | 110.9 | I354 H355 D358 Y362 K378 | I354-N360 WeakPolarHBondContact CA-O 3.31Å; H355-N360 PolarHBondContact N-O 3.1Å; H355-N360 VanDerWaalsContact N-O 3.11Å; D358-N360 PolarHBondContact O-N 3.24Å; D358-N360 PolarHBondContact O-ND2 3.48Å; D358-N360 PolarHBondContact OD1-N 3.32Å; D358-N360 WeakPolarHBondContact OD2-CB 3.36Å; D358-N360 PolarHBondContact OD2-ND2 2.87Å; N360-Y362 HydrophobicContact CB-CD2 4.38Å; N360-Y362 HydrophobicContact CB-CE2 3.77Å; N360-Y362 WeakPolarHBondContact O-CD2 3.34Å; N360-K378 PolarHBondContact ND2-NZ 2.85Å; N360-K378 VanDerWaalsContact ND2-NZ 3.1Å; N360-K378 WeakPolarHBondContact OD1-CE 3.49Å; N360-K378 PolarHBondContact OD1-NZ 3.49Å | ||
| 361 | Q | 80.3 | Confident | 77.4 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 143.9 | 170.5 | -76.6 | -178.3 | -33.7 | 0 | 0 | 110.7 | I267 F353 I354 C376 I377 | I267-Q361 PolarHBondContact O-NE2 2.96Å; F353-Q361 CarbonylContact O-C 3.56Å; F353-Q361 VanDerWaalsContact O-CA 3.24Å; F353-Q361 WeakPolarHBondContact O-CA 3.42Å; I354-Q361 HydrophobicContact CG1-CG 3.87Å; Q361-C376 CarbonylContact O-C 3.42Å; Q361-C376 WeakPolarHBondContact O-CA 3.49Å; Q361-C376 PolarHBondContact O-SG 3.22Å; Q361-C376 VanDerWaalsContact O-SG 3.33Å; Q361-I377 HydrophobicContact CB-CB 4.26Å; Q361-I377 PolarHBondContact O-N 3.1Å |
| 362 | Y | 82.5 | Confident | 78.3 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 142.4 | -179.1 | -76.9 | -89.9 | 0 | 0 | 0 | 111.5 | C54 A352 F353 H355 D358 N360 W375 C376 | C54-Y362 VanDerWaalsContact SG-CE1 3.52Å; C54-Y362 VanDerWaalsContact SG-CZ 3.57Å; C54-Y362 PolarHBondContact SG-OH 3.09Å; A352-Y362 CarbonylContact C-O 3.54Å; A352-Y362 VanDerWaalsContact CA-O 3.27Å; A352-Y362 WeakPolarHBondContact CA-O 3.22Å; F353-Y362 WeakPolarHBondContact CD1-O 3.28Å; F353-Y362 HydrophobicContact CE1-CG 4.48Å; F353-Y362 HydrophobicContact CZ-CG 4.28Å; F353-Y362 PolarHBondContact N-O 3.33Å; F353-Y362 PolarHBondContact O-N 3.46Å; H355-Y362 HydrophobicContact CB-CD2 3.64Å; H355-Y362 HydrophobicContact CB-CE2 3.71Å; D358-Y362 PolarHBondContact OD2-OH 2.97Å; N360-Y362 HydrophobicContact CB-CD2 4.38Å; N360-Y362 HydrophobicContact CB-CE2 3.77Å; N360-Y362 WeakPolarHBondContact O-CD2 3.34Å; Y362-W375 CarbonylContact C-O 3.58Å; Y362-W375 WeakPolarHBondContact CA-O 3.34Å; Y362-C376 HydrophobicContact CD1-CB 4.04Å; Y362-C376 HydrophobicContact CE1-CB 3.69Å |
| 363 | L | 84.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.5 | 167.7 | -164.7 | 80 | 0 | 0 | 0 | 108.8 | V281 F349 T350 A374 W375 I377 | V281-L363 HydrophobicContact CB-CD2 4.27Å; V281-L363 HydrophobicContact CG1-CD2 3.94Å; V281-L363 HydrophobicContact CG2-CD2 3.81Å; F349-L363 HydrophobicContact CD1-CD2 4.22Å; T350-L363 WeakPolarHBondContact O-CD1 3.34Å; L363-A374 VanDerWaalsContact O-CA 3.25Å; L363-A374 WeakPolarHBondContact O-CA 3.44Å; L363-W375 HydrophobicContact CB-CE3 4.34Å; L363-W375 HydrophobicContact CD2-CE3 4.17Å; L363-W375 HydrophobicContact CD2-CZ3 4.36Å; L363-W375 PolarHBondContact N-O 3.27Å; L363-W375 PolarHBondContact O-N 3.32Å; L363-I377 HydrophobicContact CB-CD1 3.84Å; L363-I377 HydrophobicContact CB-CG1 4.48Å; L363-I377 HydrophobicContact CD1-CD1 4.4Å |
| 364 | L | 86.1 | Confident | 79.4 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.6 | 169.7 | -76.2 | 156 | 0 | 0 | 0 | 110.4 | L29 V36 T350 F353 L372 L373 A374 M411 | L29-L364 HydrophobicContact CD1-CD1 4.19Å; V36-L364 HydrophobicContact CG2-CD1 3.88Å; T350-L364 HydrophobicContact CG2-CB 3.81Å; T350-L364 HydrophobicContact CG2-CD1 4.5Å; T350-L364 PolarHBondContact N-O 3.05Å; F353-L364 HydrophobicContact CD1-CD1 4.28Å; F353-L364 HydrophobicContact CE1-CD1 3.46Å; F353-L364 VanDerWaalsContact CE1-CD1 3.46Å; F353-L364 HydrophobicContact CE1-CG 3.82Å; F353-L364 HydrophobicContact CZ-CD1 3.93Å; F353-L364 HydrophobicContact CZ-CG 4.47Å; L364-L372 HydrophobicContact CD2-CD2 4.26Å; L364-L373 WeakPolarHBondContact CA-O 3.29Å; L364-A374 HydrophobicContact CD2-CB 3.78Å; L364-A374 HydrophobicContact CG-CB 4.43Å; L364-M411 HydrophobicContact CD2-CE 3.82Å |
| 365 | A | 87.1 | Confident | 80 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 157.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F346 C348 F349 L373 W375 | F346-A365 HydrophobicContact CD1-CB 3.82Å; F346-A365 HydrophobicContact CE1-CB 3.76Å; C348-A365 WeakPolarHBondContact O-CA 3.21Å; F349-A365 HydrophobicContact CD1-CB 3.43Å; F349-A365 VanDerWaalsContact CD1-CB 3.43Å; F349-A365 HydrophobicContact CE1-CB 3.52Å; F349-A365 HydrophobicContact CG-CB 4.16Å; F349-A365 HydrophobicContact CZ-CB 4.33Å; A365-L373 PolarHBondContact N-O 3.47Å; A365-L373 PolarHBondContact O-N 3.19Å; A365-W375 HydrophobicContact CB-CH2 3.9Å; A365-W375 HydrophobicContact CB-CZ3 3.59Å |
| 366 | G | 87.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G347 C348 | G347-G366 PolarHBondContact N-O 3.13Å; C348-G366 PolarHBondContact N-O 3.05Å; C348-G366 PolarHBondContact O-N 3.47Å |
| 367 | T | 84.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 158.1 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | I24 V343 F346 H369 G370 Q371 L373 | I24-T367 WeakPolarHBondContact CA-O 3.45Å; I24-T367 PolarHBondContact N-O 3Å; I24-T367 VanDerWaalsContact N-O 3.14Å; V343-T367 HydrophobicContact CG1-CG2 3.52Å; V343-T367 HydrophobicContact CG2-CG2 4.24Å; F346-T367 HydrophobicContact CD1-CG2 4.5Å; F346-T367 HydrophobicContact CE1-CG2 3.87Å; F346-T367 HydrophobicContact CE2-CG2 4.44Å; F346-T367 HydrophobicContact CZ-CG2 3.83Å; T367-H369 PolarHBondContact O-N 2.84Å; T367-H369 VanDerWaalsContact O-N 3.11Å; T367-H369 PolarHBondContact OG1-N 2.98Å; T367-G370 PolarHBondContact O-N 3.02Å; T367-G370 PolarHBondContact OG1-N 3.36Å; T367-Q371 HydrophobicContact CG2-CB 4.03Å; T367-Q371 PolarHBondContact N-O 3.43Å; T367-Q371 WeakPolarHBondContact OG1-CB 3.41Å; T367-Q371 PolarHBondContact OG1-N 3.37Å; T367-Q371 VanDerWaalsContact OG1-N 3.07Å; T367-Q371 PolarHBondContact OG1-O 3.46Å; T367-L373 HydrophobicContact CG2-CD1 4.26Å; T367-L373 HydrophobicContact CG2-CG 4.29Å |
| 368 | T | 80.5 | Confident | 81.7 | Confident | 43 Ų | 43 | 27.9 Ų | 27.9 | 26% | 0.264 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.6 | 170.6 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Q23 K345 | Q23-T368 WeakPolarHBondContact CB-O 3.28Å; Q23-T368 VanDerWaalsContact CG-O 3.29Å; Q23-T368 WeakPolarHBondContact CG-O 3.36Å; K345-T368 HydrophobicContact CB-CG2 3.95Å; K345-T368 PolarHBondContact O-N 3.46Å; K345-T368 PolarHBondContact O-OG1 3.42Å |
| 369 | H | 75.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 25.3 Ų | 25.3 | 48% | 0.477 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.9 | 174.1 | -56.5 | -78.2 | 0 | 0 | 0 | 113.1 | T367 | T367-H369 PolarHBondContact O-N 2.84Å; T367-H369 VanDerWaalsContact O-N 3.11Å; T367-H369 PolarHBondContact OG1-N 2.98Å |
| 370 | G | 80.3 | Confident | 81.4 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 81.7 | 12 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H22 T367 | H22-G370 WeakPolarHBondContact O-CA 3.46Å; T367-G370 PolarHBondContact O-N 3.02Å; T367-G370 PolarHBondContact OG1-N 3.36Å |
| 371 | Q | 84.4 | Confident | 81.1 | Confident | 20 Ų | 20 | 24.4 Ų | 24.4 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | trans | -80.8 | 130.7 | 170.8 | -67.1 | 161.7 | -23.7 | 0 | 0 | 110.8 | T367 L373 D414 | T367-Q371 HydrophobicContact CG2-CB 4.03Å; T367-Q371 PolarHBondContact N-O 3.43Å; T367-Q371 WeakPolarHBondContact OG1-CB 3.41Å; T367-Q371 PolarHBondContact OG1-N 3.37Å; T367-Q371 VanDerWaalsContact OG1-N 3.07Å; T367-Q371 PolarHBondContact OG1-O 3.46Å; Q371-L373 HydrophobicContact CB-CD2 4.43Å; Q371-D414 HydrophobicContact CG-CB 3.77Å; Q371-D414 WeakPolarHBondContact CG-OD2 3.41Å; Q371-D414 PolarHBondContact NE2-OD2 2.94Å | ||
| 372 | L | 87.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.2 | 160.6 | -90.5 | 162.1 | 0 | 0 | 0 | 108.9 | I27 V36 T38 W48 L364 M411 C412 S413 | I27-L372 HydrophobicContact CD1-CD2 3.84Å; I27-L372 HydrophobicContact CG1-CD2 4.42Å; V36-L372 HydrophobicContact CG1-CD2 4.4Å; T38-L372 HydrophobicContact CG2-CD1 3.96Å; T38-L372 HydrophobicContact CG2-CD2 3.93Å; T38-L372 HydrophobicContact CG2-CG 4.17Å; W48-L372 HydrophobicContact CD2-CD1 3.61Å; W48-L372 HydrophobicContact CE3-CD1 4.19Å; W48-L372 HydrophobicContact CG-CD1 3.76Å; W48-L372 HydrophobicContact CZ2-CD1 4.12Å; L364-L372 HydrophobicContact CD2-CD2 4.26Å; L372-M411 HydrophobicContact CB-CE 3.83Å; L372-M411 WeakPolarHBondContact O-CE 3.05Å; L372-C412 WeakPolarHBondContact O-CA 3.47Å; L372-S413 PolarHBondContact N-O 2.86Å; L372-S413 PolarHBondContact O-N 3.49Å |
| 373 | L | 86.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.6 | 172.7 | -58.2 | -172.1 | 0 | 0 | 0 | 110.3 | P311 F346 L364 A365 T367 Q371 W375 P409 M411 C412 | P311-L373 HydrophobicContact CB-CD1 4.4Å; F346-L373 HydrophobicContact CE1-CD1 3.95Å; F346-L373 HydrophobicContact CZ-CD1 3.66Å; L364-L373 WeakPolarHBondContact CA-O 3.29Å; A365-L373 PolarHBondContact N-O 3.47Å; A365-L373 PolarHBondContact O-N 3.19Å; T367-L373 HydrophobicContact CG2-CD1 4.26Å; T367-L373 HydrophobicContact CG2-CG 4.29Å; Q371-L373 HydrophobicContact CB-CD2 4.43Å; L373-W375 HydrophobicContact CB-CH2 3.81Å; L373-W375 HydrophobicContact CB-CZ2 4.26Å; L373-W375 HydrophobicContact CB-CZ3 4.01Å; L373-W375 HydrophobicContact CD1-CH2 3.93Å; L373-W375 HydrophobicContact CD1-CZ2 3.98Å; L373-P409 HydrophobicContact CB-CB 4.24Å; L373-P409 HydrophobicContact CD1-CG 4.45Å; L373-P409 HydrophobicContact CD2-CB 4.37Å; L373-P409 HydrophobicContact CD2-CG 4.24Å; L373-M411 WeakPolarHBondContact CA-O 3.42Å; L373-C412 HydrophobicContact CD2-CB 3.76Å; L373-C412 VanDerWaalsContact CD2-SG 3.54Å |
| 374 | A | 85.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L363 L364 I410 M411 | L363-A374 VanDerWaalsContact O-CA 3.25Å; L363-A374 WeakPolarHBondContact O-CA 3.44Å; L364-A374 HydrophobicContact CD2-CB 3.78Å; L364-A374 HydrophobicContact CG-CB 4.43Å; A374-I410 PolarHBondContact O-N 3.4Å; A374-M411 HydrophobicContact CB-CB 3.9Å; A374-M411 HydrophobicContact CB-CE 3.92Å; A374-M411 HydrophobicContact CB-SD 4.45Å; A374-M411 PolarHBondContact N-O 3.02Å; A374-M411 PolarHBondContact O-N 3.14Å |
| 375 | W | 85.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.9 | 170 | -54.3 | -100.9 | 0 | 0 | 0 | 109.4 | F309 S310 F346 Y362 L363 A365 L373 P408 P409 | F309-W375 HydrophobicContact CB-CD2 4.25Å; F309-W375 HydrophobicContact CB-CG 4.07Å; F309-W375 HydrophobicContact CD1-CB 3.6Å; F309-W375 AromaticContact CD1-CD1 3.43Å; F309-W375 VanDerWaalsContact CD1-CD1 3.43Å; F309-W375 AromaticContact CD1-CG 3.62Å; F309-W375 HydrophobicContact CD1-CG 3.62Å; F309-W375 HydrophobicContact CE1-CB 3.83Å; F309-W375 HydrophobicContact CE1-CG 4.35Å; F309-W375 HydrophobicContact CG-CB 4.22Å; F309-W375 AromaticContact CG-CD1 3.95Å; F309-W375 HydrophobicContact CG-CG 4.01Å; S310-W375 PolarHBondContact O-NE1 2.95Å; F346-W375 HydrophobicContact CE1-CH2 4.27Å; Y362-W375 CarbonylContact C-O 3.58Å; Y362-W375 WeakPolarHBondContact CA-O 3.34Å; L363-W375 HydrophobicContact CB-CE3 4.34Å; L363-W375 HydrophobicContact CD2-CE3 4.17Å; L363-W375 HydrophobicContact CD2-CZ3 4.36Å; L363-W375 PolarHBondContact N-O 3.27Å; L363-W375 PolarHBondContact O-N 3.32Å; A365-W375 HydrophobicContact CB-CH2 3.9Å; A365-W375 HydrophobicContact CB-CZ3 3.59Å; L373-W375 HydrophobicContact CB-CH2 3.81Å; L373-W375 HydrophobicContact CB-CZ2 4.26Å; L373-W375 HydrophobicContact CB-CZ3 4.01Å; L373-W375 HydrophobicContact CD1-CH2 3.93Å; L373-W375 HydrophobicContact CD1-CZ2 3.98Å; W375-P408 VanDerWaalsContact CD1-C 3.46Å; W375-P408 VanDerWaalsContact CD1-O 3.29Å; W375-P409 VanDerWaalsContact CD1-CA 3.42Å; W375-P409 HydrophobicContact CD2-CB 4.43Å; W375-P409 HydrophobicContact CZ2-CB 4.44Å |
| 376 | C | 83.9 | Confident | 74.3 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128 | 169.5 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | Q361 Y362 K378 I410 | Q361-C376 CarbonylContact O-C 3.42Å; Q361-C376 WeakPolarHBondContact O-CA 3.49Å; Q361-C376 PolarHBondContact O-SG 3.22Å; Q361-C376 VanDerWaalsContact O-SG 3.33Å; Y362-C376 HydrophobicContact CD1-CB 4.04Å; Y362-C376 HydrophobicContact CE1-CB 3.69Å; C376-K378 WeakPolarHBondContact SG-CE 3.37Å; C376-I410 HydrophobicContact CB-CD1 3.41Å; C376-I410 VanDerWaalsContact CB-CD1 3.41Å |
| 377 | I | 79.5 | Confident | 72.5 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.7 | 175.7 | -58.9 | 163.3 | 0 | 0 | 0 | 108.4 | I267 L283 F309 A352 Q361 L363 P379 | I267-I377 HydrophobicContact CD1-CD1 3.88Å; I267-I377 HydrophobicContact CG2-CG2 4.29Å; L283-I377 HydrophobicContact CD1-CG2 4.09Å; F309-I377 HydrophobicContact CE2-CG1 3.94Å; F309-I377 HydrophobicContact CZ-CB 4.48Å; F309-I377 HydrophobicContact CZ-CG1 3.77Å; A352-I377 HydrophobicContact CB-CD1 3.92Å; Q361-I377 HydrophobicContact CB-CB 4.26Å; Q361-I377 PolarHBondContact O-N 3.1Å; L363-I377 HydrophobicContact CB-CD1 3.84Å; L363-I377 HydrophobicContact CB-CG1 4.48Å; L363-I377 HydrophobicContact CD1-CD1 4.4Å; I377-P379 HydrophobicContact CG2-CG 3.85Å |
| 378 | K | 79.4 | Confident | 70.6 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | trans | -130.4 | 81.4 | 173.9 | -58 | -163.3 | -173.5 | -149.7 | 0 | 109.1 | N360 C376 D380 S381 F382 | N360-K378 PolarHBondContact ND2-NZ 2.85Å; N360-K378 VanDerWaalsContact ND2-NZ 3.1Å; N360-K378 WeakPolarHBondContact OD1-CE 3.49Å; N360-K378 PolarHBondContact OD1-NZ 3.49Å; C376-K378 WeakPolarHBondContact SG-CE 3.37Å; K378-D380 PolarHBondContact O-N 3.33Å; K378-S381 PolarHBondContact O-N 3.47Å; K378-S381 PolarHBondContact O-OG 2.9Å; K378-F382 WeakPolarHBondContact O-CD2 3.12Å | ||
| 379 | P | 65.6 | Low | 69 | Low | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -38.3 | -166.6 | -25.6 | 36.7 | 0 | 0 | 0 | 113.4 | I267 Q268 V271 I377 S381 F382 T383 | I267-P379 HydrophobicContact CG2-CG 4.41Å; Q268-P379 HydrophobicContact CG-CG 4.32Å; V271-P379 HydrophobicContact CG2-CB 4.19Å; I377-P379 HydrophobicContact CG2-CG 3.85Å; P379-S381 VanDerWaalsContact C-N 3.29Å; P379-S381 PolarHBondContact O-N 2.96Å; P379-F382 PolarHBondContact O-N 2.88Å; P379-T383 PolarHBondContact O-N 3.19Å; P379-T383 PolarHBondContact O-OG1 3.09Å |
| 380 | D | 69.6 | Low | 67.6 | Low | 100 Ų | 100 | 48.8 Ų | 48.8 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | -179.9 | -50.5 | -0.9 | 0 | 0 | 0 | 112 | K378 F382 T383 L384 | K378-D380 PolarHBondContact O-N 3.33Å; D380-F382 VanDerWaalsContact C-N 3.35Å; D380-F382 PolarHBondContact O-N 3.19Å; D380-T383 WeakPolarHBondContact CA-OG1 3.42Å; D380-T383 PolarHBondContact O-OG1 3.42Å; D380-L384 WeakPolarHBondContact O-CB 3.25Å; D380-L384 WeakPolarHBondContact O-CG 3.42Å; D380-L384 PolarHBondContact O-N 3.08Å; D380-L384 VanDerWaalsContact O-N 3.11Å |
| 381 | S | 69 | Low | 65.8 | Low | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.5 | -21.2 | 179.7 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | K378 P379 N385 | K378-S381 PolarHBondContact O-N 3.47Å; K378-S381 PolarHBondContact O-OG 2.9Å; P379-S381 VanDerWaalsContact C-N 3.29Å; P379-S381 PolarHBondContact O-N 2.96Å; S381-N385 PolarHBondContact O-ND2 3.41Å |
| 382 | F | 64.4 | Low | 64 | Low | 29 Ų | 29 | 62.7 Ų | 62.7 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -84.1 | -41.1 | 172.3 | -60.3 | -69.1 | 0 | 0 | 0 | 111.4 | L283 I306 A307 F309 K378 P379 D380 I386 P405 | L283-F382 HydrophobicContact CD1-CD2 4.46Å; I306-F382 HydrophobicContact CB-CB 4.42Å; I306-F382 HydrophobicContact CD1-CB 4.2Å; I306-F382 HydrophobicContact CG1-CB 4.49Å; A307-F382 HydrophobicContact CB-CD1 3.78Å; A307-F382 HydrophobicContact CB-CD2 4.35Å; A307-F382 HydrophobicContact CB-CE1 3.87Å; A307-F382 HydrophobicContact CB-CE2 4.42Å; A307-F382 HydrophobicContact CB-CG 4.03Å; A307-F382 HydrophobicContact CB-CZ 4.19Å; F309-F382 HydrophobicContact CZ-CE2 4.49Å; K378-F382 WeakPolarHBondContact O-CD2 3.12Å; P379-F382 PolarHBondContact O-N 2.88Å; D380-F382 VanDerWaalsContact C-N 3.35Å; D380-F382 PolarHBondContact O-N 3.19Å; F382-I386 WeakPolarHBondContact O-CG1 3.1Å; F382-P405 HydrophobicContact CD1-CG 4.25Å |
| 383 | T | 57.6 | Low | 61.8 | Low | 35 Ų | 35 | 66.6 Ų | 66.6 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.5 | -39.6 | -177.4 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | I306 P379 D380 N385 I386 V387 | I306-T383 HydrophobicContact CD1-CG2 4.11Å; P379-T383 PolarHBondContact O-N 3.19Å; P379-T383 PolarHBondContact O-OG1 3.09Å; D380-T383 WeakPolarHBondContact CA-OG1 3.42Å; D380-T383 PolarHBondContact O-OG1 3.42Å; T383-N385 PolarHBondContact O-N 3.16Å; T383-I386 PolarHBondContact O-N 3.26Å; T383-V387 WeakPolarHBondContact O-CG2 3.41Å; T383-V387 PolarHBondContact O-N 3.34Å; T383-V387 VanDerWaalsContact O-N 3.07Å |
| 384 | L | 52 | Low | 59.8 | Low | 119 Ų | 119 | 74.9 Ų | 74.9 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56.2 | -45.9 | 176.7 | -81.5 | 167.1 | 0 | 0 | 0 | 112.9 | D380 I386 D388 | D380-L384 WeakPolarHBondContact O-CB 3.25Å; D380-L384 WeakPolarHBondContact O-CG 3.42Å; D380-L384 PolarHBondContact O-N 3.08Å; D380-L384 VanDerWaalsContact O-N 3.11Å; L384-I386 VanDerWaalsContact C-N 3.27Å; L384-I386 PolarHBondContact O-N 3.39Å; L384-D388 PolarHBondContact O-N 3.39Å |
| 385 | N | 50.8 | Low | 57.8 | Low | 117 Ų | 117 | 81.6 Ų | 81.6 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63 | -32.4 | -179.7 | -74.4 | -48.8 | 0 | 0 | 0 | 112.8 | S381 T383 | S381-N385 PolarHBondContact O-ND2 3.41Å; T383-N385 PolarHBondContact O-N 3.16Å |
| 386 | I | 52.9 | Low | 55.5 | Low | 37 Ų | 37 | 87.9 Ų | 87.9 | 19% | 0.19 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -83.1 | -40.9 | -176.2 | -65 | 171.1 | 0 | 0 | 0 | 111.2 | I306 F382 T383 L384 Q390 | I306-I386 HydrophobicContact CB-CD1 3.76Å; I306-I386 HydrophobicContact CG2-CD1 3.69Å; F382-I386 WeakPolarHBondContact O-CG1 3.1Å; T383-I386 PolarHBondContact O-N 3.26Å; L384-I386 VanDerWaalsContact C-N 3.27Å; L384-I386 PolarHBondContact O-N 3.39Å; I386-Q390 VanDerWaalsContact CG2-CD 3.46Å; I386-Q390 HydrophobicContact CG2-CG 3.96Å; I386-Q390 VanDerWaalsContact O-CB 3.3Å; I386-Q390 WeakPolarHBondContact O-CB 3.21Å; I386-Q390 WeakPolarHBondContact O-CG 3.4Å; I386-Q390 PolarHBondContact O-N 3.02Å |
| 387 | V | 49 | Very low | 53.2 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | -175.3 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | T383 K391 | T383-V387 WeakPolarHBondContact O-CG2 3.41Å; T383-V387 PolarHBondContact O-N 3.34Å; T383-V387 VanDerWaalsContact O-N 3.07Å; V387-K391 WeakPolarHBondContact O-CB 3.25Å; V387-K391 PolarHBondContact O-N 2.97Å |
| 388 | D | 45.2 | Very low | 51.1 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.7 | -29 | -179.9 | -89.4 | -6.5 | 0 | 0 | 0 | 113.4 | L384 | L384-D388 PolarHBondContact O-N 3.39Å |
| 389 | E | 45.7 | Very low | 49.1 | Very low | 96 Ų | 96 | 102.9 Ų | 102.9 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.1 | -44.1 | 174 | -75 | -147.1 | 104.4 | 0 | 0 | 112.9 | K391 K392 Q393 K402 | E389-K391 VanDerWaalsContact C-N 3.33Å; E389-K391 PolarHBondContact O-N 3.45Å; E389-K392 CarbonylContact O-C 3.58Å; E389-K392 WeakPolarHBondContact O-CA 3.45Å; E389-K392 WeakPolarHBondContact O-CB 3.24Å; E389-K392 PolarHBondContact O-N 2.94Å; E389-Q393 WeakPolarHBondContact O-CG 3.45Å; E389-Q393 PolarHBondContact O-N 3.19Å; E389-K402 IonicContact OE1-NZ 3.08Å; E389-K402 PolarHBondContact OE1-NZ 2.95Å; E389-K402 IonicContact OE2-NZ 3.76Å; E389-K402 PolarHBondContact OE2-NZ 3.48Å |
| 390 | Q | 45.7 | Very low | 47.7 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -37.4 | -179.4 | -73.6 | -173.1 | -13.3 | 0 | 0 | 112.1 | I386 K392 Q393 M394 | I386-Q390 VanDerWaalsContact CG2-CD 3.46Å; I386-Q390 HydrophobicContact CG2-CG 3.96Å; I386-Q390 VanDerWaalsContact O-CB 3.3Å; I386-Q390 WeakPolarHBondContact O-CB 3.21Å; I386-Q390 WeakPolarHBondContact O-CG 3.4Å; I386-Q390 PolarHBondContact O-N 3.02Å; Q390-K392 PolarHBondContact O-N 3.23Å; Q390-Q393 PolarHBondContact O-N 3.49Å; Q390-M394 WeakPolarHBondContact O-CG 3.19Å; Q390-M394 PolarHBondContact O-N 2.93Å |
| 391 | K | 44.4 | Very low | 46.5 | Very low | 159 Ų | 159 | 111.4 Ų | 111.4 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.4 | -25.7 | 171.3 | -85.7 | -177.2 | 171.8 | 176.5 | 0 | 114.1 | V387 E389 | V387-K391 WeakPolarHBondContact O-CB 3.25Å; V387-K391 PolarHBondContact O-N 2.97Å; E389-K391 VanDerWaalsContact C-N 3.33Å; E389-K391 PolarHBondContact O-N 3.45Å |
| 392 | K | 45.1 | Very low | 45.4 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 70% | 0.696 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85.6 | -35.3 | 172.9 | -78.7 | 174 | 177 | 163.9 | 0 | 112.7 | E389 Q390 | E389-K392 CarbonylContact O-C 3.58Å; E389-K392 WeakPolarHBondContact O-CA 3.45Å; E389-K392 WeakPolarHBondContact O-CB 3.24Å; E389-K392 PolarHBondContact O-N 2.94Å; Q390-K392 PolarHBondContact O-N 3.23Å |
| 393 | Q | 41.6 | Very low | 45.1 | Very low | 81 Ų | 81 | 117.4 Ų | 117.4 | 38% | 0.379 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -83.2 | -28.8 | -175.2 | -66.2 | -165.6 | -78.4 | 0 | 0 | 113.6 | E389 Q390 L395 L396 | E389-Q393 WeakPolarHBondContact O-CG 3.45Å; E389-Q393 PolarHBondContact O-N 3.19Å; Q390-Q393 PolarHBondContact O-N 3.49Å; Q393-L395 PolarHBondContact O-N 3.44Å; Q393-L396 CarbonylContact O-C 3.5Å; Q393-L396 PolarHBondContact O-N 3.11Å |
| 394 | M | 43.4 | Very low | 45.6 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 86% | 0.862 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -9.2 | 173.3 | -70.9 | -167.8 | 80.7 | 0 | 0 | 114.2 | Q390 | Q390-M394 WeakPolarHBondContact O-CG 3.19Å; Q390-M394 PolarHBondContact O-N 2.93Å |
| 395 | L | 44.4 | Very low | 46.7 | Very low | 145 Ų | 145 | 115.2 Ų | 115.2 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -10.5 | 173.1 | -78.5 | 164.2 | 0 | 0 | 0 | 114.1 | Q393 | Q393-L395 PolarHBondContact O-N 3.44Š|
| 396 | L | 35.5 | Very low | 47.9 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -139.8 | 105.1 | 176.9 | -89.6 | 98.5 | 0 | 0 | 0 | 112.9 | Q393 | Q393-L396 CarbonylContact O-C 3.5Å; Q393-L396 PolarHBondContact O-N 3.11Å |
| 397 | N | 36.1 | Very low | 49.3 | Very low | 157 Ų | 157 | 115.3 Ų | 115.3 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | trans | 65.5 | 133.2 | 163 | -66.6 | -11.4 | 0 | 0 | 0 | 118.9 | ||||
| 398 | N | 35.8 | Very low | 50.7 | Low | 156 Ų | 156 | 114.5 Ų | 114.5 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -63.3 | 160 | 163.8 | -69.1 | -31.5 | 0 | 0 | 0 | 111.3 | ||
| 399 | S | 36.7 | Very low | 52.3 | Low | 112 Ų | 112 | 110.2 Ų | 110.2 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | trans | 63.2 | 76.8 | 174.6 | 60.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 400 | I | 37.5 | Very low | 54 | Low | 143 Ų | 143 | 111.1 Ų | 111.1 | 73% | 0.733 | 59% | 0.593 | S | S | * | * | -145.7 | 118.4 | 124.7 | -84.9 | 126 | 0 | 0 | 0 | 106.6 | K402 | I400-K402 HydrophobicContact CG2-CG 4.25Å; I400-K402 PolarHBondContact O-N 3.22Å | |||
| 401 | V | 44.1 | Very low | 55.6 | Low | 143 Ų | 143 | 106.9 Ų | 106.9 | 87% | 0.867 | 57% | 0.574 | S | S | * | * | trans | -81.3 | 102 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 106.8 | S403 | V401-S403 PolarHBondContact O-N 3.36Š| ||
| 402 | K | 46.2 | Very low | 57.3 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 130.2 | 170.5 | -85.4 | 176.1 | 171.4 | 165.2 | 0 | 108.9 | E389 I400 V404 | E389-K402 IonicContact OE1-NZ 3.08Å; E389-K402 PolarHBondContact OE1-NZ 2.95Å; E389-K402 IonicContact OE2-NZ 3.76Å; E389-K402 PolarHBondContact OE2-NZ 3.48Å; I400-K402 HydrophobicContact CG2-CG 4.25Å; I400-K402 PolarHBondContact O-N 3.22Å; K402-V404 PolarHBondContact O-N 2.9Å |
| 403 | S | 57.1 | Low | 59 | Low | 114 Ų | 114 | 94.9 Ų | 94.9 | 80% | 0.797 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 125.4 | 178.3 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | V401 | V401-S403 PolarHBondContact O-N 3.36Š|
| 404 | V | 69.4 | Low | 60.8 | Low | 45 Ų | 45 | 92 Ų | 92 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -57 | 135.3 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | A307 K402 I406 | A307-V404 VanDerWaalsContact CA-CG1 3.48Å; K402-V404 PolarHBondContact O-N 2.9Å; V404-I406 PolarHBondContact O-N 3.31Å |
| 405 | P | 73.5 | Confident | 62.6 | Low | 63 Ų | 63 | 84.2 Ų | 84.2 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 130.1 | -176.4 | 23.5 | -33.9 | 0 | 0 | 0 | 111.4 | I306 A307 T308 F382 | I306-P405 WeakPolarHBondContact O-CG 3.38Å; A307-P405 HydrophobicContact CB-CG 4.33Å; T308-P405 PolarHBondContact N-O 3.35Å; F382-P405 HydrophobicContact CD1-CG 4.25Å |
| 406 | I | 77.7 | Confident | 64.2 | Low | 116 Ų | 116 | 82.4 Ų | 82.4 | 60% | 0.595 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.3 | 176.3 | -56.2 | 179.3 | 0 | 0 | 0 | 108.9 | T308 V404 | T308-I406 CarbonylContact O-C 3.54Å; T308-I406 VanDerWaalsContact O-CA 3.28Å; T308-I406 WeakPolarHBondContact O-CA 3.48Å; V404-I406 PolarHBondContact O-N 3.31Å |
| 407 | T | 80.6 | Confident | 66.1 | Low | 40 Ų | 40 | 78.4 Ų | 78.4 | 25% | 0.245 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.7 | -177.8 | 32.6 | 0 | 0 | 0 | 0 | 112.3 | T308 F309 S310 | T308-T407 PolarHBondContact O-N 2.9Å; T308-T407 PolarHBondContact O-OG1 3.46Å; F309-T407 WeakPolarHBondContact CA-O 3.42Å; F309-T407 WeakPolarHBondContact CD1-OG1 3.16Å; F309-T407 VanDerWaalsContact CE1-OG1 3.32Å; F309-T407 WeakPolarHBondContact CE1-OG1 3.36Å; S310-T407 PolarHBondContact N-O 2.96Å |
| 408 | P | 79.2 | Confident | 68 | Low | 63 Ų | 63 | 71.5 Ų | 71.5 | 41% | 0.409 | 41% | 0.41 | S | S | . | . | trans | -74.5 | 167.8 | 175.1 | 33.2 | -36.2 | 0 | 0 | 0 | 111.7 | W375 | W375-P408 VanDerWaalsContact CD1-C 3.46Å; W375-P408 VanDerWaalsContact CD1-O 3.29Å | ||
| 409 | P | 79.1 | Confident | 69.9 | Low | 19 Ų | 19 | 64.6 Ų | 64.6 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | trans | -66 | 146.8 | 175.8 | 30.2 | -37.3 | 0 | 0 | 0 | 111.8 | S310 V313 L373 W375 | S310-P409 WeakPolarHBondContact O-CD 3.38Å; V313-P409 HydrophobicContact CG2-CG 3.87Å; L373-P409 HydrophobicContact CB-CB 4.24Å; L373-P409 HydrophobicContact CD1-CG 4.45Å; L373-P409 HydrophobicContact CD2-CB 4.37Å; L373-P409 HydrophobicContact CD2-CG 4.24Å; W375-P409 VanDerWaalsContact CD1-CA 3.42Å; W375-P409 HydrophobicContact CD2-CB 4.43Å; W375-P409 HydrophobicContact CZ2-CB 4.44Å | ||
| 410 | I | 81.4 | Confident | 71.6 | Confident | 116 Ų | 116 | 65.3 Ų | 65.3 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -87.4 | -35.2 | 176.4 | -58.4 | 179.5 | 0 | 0 | 0 | 110.2 | A374 C376 | A374-I410 PolarHBondContact O-N 3.4Å; C376-I410 HydrophobicContact CB-CD1 3.41Å; C376-I410 VanDerWaalsContact CB-CD1 3.41Å |
| 411 | M | 78.8 | Confident | 73.1 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.049 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.6 | 170.6 | -179.6 | -168.7 | 83.5 | 0 | 0 | 109.1 | C54 C56 L364 L372 L373 A374 | C54-M411 HydrophobicContact CB-CB 4.38Å; C54-M411 WeakPolarHBondContact O-CG 3.42Å; C56-M411 HydrophobicContact CB-SD 4.05Å; L364-M411 HydrophobicContact CD2-CE 3.82Å; L372-M411 HydrophobicContact CB-CE 3.83Å; L372-M411 WeakPolarHBondContact O-CE 3.05Å; L373-M411 WeakPolarHBondContact CA-O 3.42Å; A374-M411 HydrophobicContact CB-CB 3.9Å; A374-M411 HydrophobicContact CB-CE 3.92Å; A374-M411 HydrophobicContact CB-SD 4.45Å; A374-M411 PolarHBondContact N-O 3.02Å; A374-M411 PolarHBondContact O-N 3.14Å |
| 412 | C | 79.9 | Confident | 74.2 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 32% | 0.324 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.3 | 152.2 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | V313 L372 L373 | V313-C412 HydrophobicContact CG2-CB 3.96Å; L372-C412 WeakPolarHBondContact O-CA 3.47Å; L373-C412 HydrophobicContact CD2-CB 3.76Å; L373-C412 VanDerWaalsContact CD2-SG 3.54Å |
| 413 | S | 80.1 | Confident | 74.8 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 131.1 | 177.2 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | L372 | L372-S413 PolarHBondContact N-O 2.86Å; L372-S413 PolarHBondContact O-N 3.49Å |
| 414 | D | 80.6 | Confident | 75.2 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | trans | -137 | 178.3 | 176.6 | 54.1 | 40 | 0 | 0 | 0 | 110.1 | Q371 H416 T417 V418 | Q371-D414 HydrophobicContact CG-CB 3.77Å; Q371-D414 WeakPolarHBondContact CG-OD2 3.41Å; Q371-D414 PolarHBondContact NE2-OD2 2.94Å; D414-H416 PolarHBondContact OD1-N 2.69Å; D414-T417 PolarHBondContact O-OG1 3.46Å; D414-T417 WeakPolarHBondContact OD1-CB 3.27Å; D414-T417 WeakPolarHBondContact OD1-CG2 3.39Å; D414-T417 PolarHBondContact OD1-N 3.42Å; D414-T417 PolarHBondContact OD1-OG1 3.23Å; D414-V418 WeakPolarHBondContact O-CG2 3.45Å | ||
| 415 | L | 81.3 | Confident | 75.1 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -74.8 | -27.8 | 178.4 | -62.2 | 171.7 | 0 | 0 | 0 | 112.6 | P19 P20 H22 I46 W48 P58 V418 W419 M1033 | P19-L415 HydrophobicContact CB-CB 3.73Å; P20-L415 HydrophobicContact CG-CD1 4Å; P20-L415 WeakPolarHBondContact O-CD1 3.22Å; H22-L415 HydrophobicContact CB-CD1 3.96Å; I46-L415 HydrophobicContact CD1-CD1 3.68Å; I46-L415 HydrophobicContact CD1-CD2 4.12Å; I46-L415 HydrophobicContact CD1-CG 4.39Å; W48-L415 HydrophobicContact CH2-CD2 3.56Å; W48-L415 HydrophobicContact CH2-CG 3.93Å; W48-L415 HydrophobicContact CZ2-CD2 4.12Å; W48-L415 HydrophobicContact CZ2-CG 4.44Å; W48-L415 HydrophobicContact CZ3-CD2 4.19Å; P58-L415 HydrophobicContact CB-CD2 4.09Å; P58-L415 HydrophobicContact CG-CD2 4.1Å; L415-V418 PolarHBondContact O-N 2.89Å; L415-W419 HydrophobicContact CB-CE3 4.39Å; L415-W419 HydrophobicContact CD2-CZ3 4.1Å; L415-W419 WeakPolarHBondContact O-CB 3.31Å; L415-W419 VanDerWaalsContact O-CE3 3.3Å; L415-W419 PolarHBondContact O-N 2.92Å; L415-M1033 HydrophobicContact CD2-CE 3.56Å |
| 416 | H | 78.5 | Confident | 75.1 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.1 | -50.1 | -177.1 | -153.6 | -79.5 | 0 | 0 | 0 | 111 | D414 V418 W419 E420 | D414-H416 PolarHBondContact OD1-N 2.69Å; H416-V418 PolarHBondContact O-N 3.41Å; H416-V418 VanDerWaalsContact O-N 3.15Å; H416-W419 PolarHBondContact O-N 3.09Å; H416-W419 VanDerWaalsContact O-N 3.1Å; H416-E420 IonicContact CE1-OE1 3.75Å; H416-E420 PolarHBondContact CE1-OE1 3.04Å; H416-E420 VanDerWaalsContact CE1-OE1 3.27Å; H416-E420 IonicContact CG-OE1 2.83Å; H416-E420 IonicContact ND1-OE1 3.83Å; H416-E420 PolarHBondContact ND1-OE1 2.88Å; H416-E420 WeakPolarHBondContact O-CG 3.25Å; H416-E420 PolarHBondContact O-N 2.87Å |
| 417 | T | 75 | Confident | 75.2 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.5 | -10.4 | 175.4 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | D414 K421 | D414-T417 PolarHBondContact O-OG1 3.46Å; D414-T417 WeakPolarHBondContact OD1-CB 3.27Å; D414-T417 WeakPolarHBondContact OD1-CG2 3.39Å; D414-T417 PolarHBondContact OD1-N 3.42Å; D414-T417 PolarHBondContact OD1-OG1 3.23Å; T417-K421 VanDerWaalsContact O-CD 3.24Å; T417-K421 WeakPolarHBondContact O-CD 3.33Å; T417-K421 WeakPolarHBondContact O-CE 3.24Å; T417-K421 WeakPolarHBondContact O-CG 3.37Å; T417-K421 PolarHBondContact O-NZ 3.02Å |
| 418 | V | 74.8 | Confident | 74.9 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -88.6 | -47.3 | 166.9 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | P58 D414 L415 H416 E420 K421 H422 | P58-V418 HydrophobicContact CG-CG1 3.97Å; P58-V418 HydrophobicContact CG-CG2 4.33Å; D414-V418 WeakPolarHBondContact O-CG2 3.45Å; L415-V418 PolarHBondContact O-N 2.89Å; H416-V418 PolarHBondContact O-N 3.41Å; H416-V418 VanDerWaalsContact O-N 3.15Å; V418-E420 PolarHBondContact O-N 2.88Å; V418-K421 WeakPolarHBondContact O-CB 3.38Å; V418-K421 PolarHBondContact O-N 3.09Å; V418-K421 VanDerWaalsContact O-N 3.09Å; V418-H422 PolarHBondContact O-CD2 3.47Å; V418-H422 VanDerWaalsContact O-CD2 3.24Å; V418-H422 PolarHBondContact O-N 3.17Å |
| 419 | W | 77.5 | Confident | 74.7 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 4% | 0.038 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -44.4 | -179.8 | -101.4 | -123.8 | 0 | 0 | 0 | 112.8 | W15 A16 T18 P19 L415 H416 K421 H422 L424 M1033 P1034 | W15-W419 HydrophobicContact CB-CZ2 4.12Å; W15-W419 HydrophobicContact CD2-CH2 4.27Å; W15-W419 AromaticContact CD2-CZ2 3.9Å; W15-W419 HydrophobicContact CD2-CZ2 3.9Å; W15-W419 HydrophobicContact CE3-CH2 4.14Å; W15-W419 AromaticContact CE3-CZ2 3.62Å; W15-W419 HydrophobicContact CE3-CZ2 3.62Å; W15-W419 HydrophobicContact CG-CZ2 4.14Å; W15-W419 HydrophobicContact CZ3-CZ2 4.3Å; A16-W419 VanDerWaalsContact O-CD1 3.31Å; A16-W419 PolarHBondContact O-NE1 2.99Å; T18-W419 PolarHBondContact O-NE1 3.22Å; P19-W419 HydrophobicContact CB-CD2 3.83Å; P19-W419 HydrophobicContact CB-CE3 4.36Å; P19-W419 HydrophobicContact CB-CG 3.85Å; P19-W419 HydrophobicContact CG-CG 4.45Å; L415-W419 HydrophobicContact CB-CE3 4.39Å; L415-W419 HydrophobicContact CD2-CZ3 4.1Å; L415-W419 WeakPolarHBondContact O-CB 3.31Å; L415-W419 VanDerWaalsContact O-CE3 3.3Å; L415-W419 PolarHBondContact O-N 2.92Å; H416-W419 PolarHBondContact O-N 3.09Å; H416-W419 VanDerWaalsContact O-N 3.1Å; W419-K421 PolarHBondContact O-N 3.46Å; W419-H422 PolarHBondContact O-N 3.3Å; W419-L424 VanDerWaalsContact CD1-CD1 3.44Å; W419-L424 HydrophobicContact CD2-CD1 3.87Å; W419-L424 HydrophobicContact CG-CD1 3.75Å; W419-L424 HydrophobicContact CZ2-CD1 4.34Å; W419-L424 VanDerWaalsContact NE1-CD1 3.33Å; W419-M1033 HydrophobicContact CH2-CE 3.56Å; W419-M1033 HydrophobicContact CH2-SD 4.12Å; W419-M1033 HydrophobicContact CZ3-CE 3.85Å; W419-P1034 HydrophobicContact CD2-CG 4.47Å; W419-P1034 HydrophobicContact CE3-CG 4.09Å; W419-P1034 VanDerWaalsContact CH2-CD 3.44Å; W419-P1034 HydrophobicContact CH2-CG 3.47Å; W419-P1034 VanDerWaalsContact CH2-CG 3.47Å; W419-P1034 HydrophobicContact CZ2-CG 3.87Å; W419-P1034 HydrophobicContact CZ3-CG 3.58Å |
| 420 | E | 71.1 | Confident | 74.4 | Confident | 128 Ų | 128 | 48.9 Ų | 48.9 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -53.3 | -36.8 | 174.8 | -74.5 | 167.8 | -168.7 | 0 | 0 | 112.9 | H416 V418 H422 | H416-E420 IonicContact CE1-OE1 3.75Å; H416-E420 PolarHBondContact CE1-OE1 3.04Å; H416-E420 VanDerWaalsContact CE1-OE1 3.27Å; H416-E420 IonicContact CG-OE1 2.83Å; H416-E420 IonicContact ND1-OE1 3.83Å; H416-E420 PolarHBondContact ND1-OE1 2.88Å; H416-E420 WeakPolarHBondContact O-CG 3.25Å; H416-E420 PolarHBondContact O-N 2.87Å; V418-E420 PolarHBondContact O-N 2.88Å; E420-H422 VanDerWaalsContact C-N 3.32Å; E420-H422 PolarHBondContact O-N 2.92Å |
| 421 | K | 70.2 | Confident | 74.1 | Confident | 152 Ų | 152 | 43.4 Ų | 43.4 | 66% | 0.661 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -77.8 | -15.8 | -178.8 | -63.6 | 172.7 | -175.5 | 127.1 | 0 | 113.4 | T417 V418 W419 | T417-K421 VanDerWaalsContact O-CD 3.24Å; T417-K421 WeakPolarHBondContact O-CD 3.33Å; T417-K421 WeakPolarHBondContact O-CE 3.24Å; T417-K421 WeakPolarHBondContact O-CG 3.37Å; T417-K421 PolarHBondContact O-NZ 3.02Å; V418-K421 WeakPolarHBondContact O-CB 3.38Å; V418-K421 PolarHBondContact O-N 3.09Å; V418-K421 VanDerWaalsContact O-N 3.09Å; W419-K421 PolarHBondContact O-N 3.46Å |
| 422 | H | 66.5 | Low | 73.8 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -108.1 | 6.4 | -172.4 | -75.6 | -58.7 | 0 | 0 | 0 | 115.2 | V418 W419 E420 L424 G1035 | V418-H422 PolarHBondContact O-CD2 3.47Å; V418-H422 VanDerWaalsContact O-CD2 3.24Å; V418-H422 PolarHBondContact O-N 3.17Å; W419-H422 PolarHBondContact O-N 3.3Å; E420-H422 VanDerWaalsContact C-N 3.32Å; E420-H422 PolarHBondContact O-N 2.92Å; H422-L424 HydrophobicContact CB-CG 4.28Å; H422-L424 PolarHBondContact O-N 2.99Å; H422-G1035 WeakPolarHBondContact NE2-CA 3.19Å |
| 423 | A | 58.8 | Low | 72.9 | Confident | 95 Ų | 95 | 44.7 Ų | 44.7 | 79% | 0.785 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 42.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 424 | L | 66.1 | Low | 71.6 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | trans | -66.9 | 143.5 | -171.8 | -71.7 | 166.4 | 0 | 0 | 0 | 111.6 | W15 W419 H422 N426 P1034 | W15-L424 HydrophobicContact CB-CD1 4.16Å; W15-L424 HydrophobicContact CB-CD2 4.25Å; W419-L424 VanDerWaalsContact CD1-CD1 3.44Å; W419-L424 HydrophobicContact CD2-CD1 3.87Å; W419-L424 HydrophobicContact CG-CD1 3.75Å; W419-L424 HydrophobicContact CZ2-CD1 4.34Å; W419-L424 VanDerWaalsContact NE1-CD1 3.33Å; H422-L424 HydrophobicContact CB-CG 4.28Å; H422-L424 PolarHBondContact O-N 2.99Å; L424-N426 PolarHBondContact O-N 3.3Å; L424-P1034 HydrophobicContact CD1-CG 4.16Å | ||
| 425 | P | 67.2 | Low | 70.1 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | trans | -65.3 | 125.8 | -169.8 | 25.5 | -34.3 | 0 | 0 | 0 | 111.9 | I427 | P425-I427 PolarHBondContact O-N 2.95Š| ||
| 426 | N | 73.6 | Confident | 68 | Low | 39 Ų | 39 | 53.6 Ų | 53.6 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | trans | -73.5 | 95.8 | 163.4 | -175.4 | -24.2 | 0 | 0 | 0 | 108.9 | H17 L424 A428 M429 F430 L480 | H17-N426 HydrophobicContact CB-CB 4.36Å; L424-N426 PolarHBondContact O-N 3.3Å; N426-A428 PolarHBondContact O-N 3.47Å; N426-A428 WeakPolarHBondContact OD1-CB 3.41Å; N426-A428 PolarHBondContact OD1-N 3.13Å; N426-M429 HydrophobicContact CB-CB 4.05Å; N426-M429 HydrophobicContact CB-CG 4.21Å; N426-M429 PolarHBondContact O-N 2.93Å; N426-M429 PolarHBondContact OD1-N 3.33Å; N426-F430 PolarHBondContact O-N 2.96Å; N426-L480 PolarHBondContact ND2-O 3.04Å; N426-L480 PolarHBondContact OD1-O 2.97Å | ||
| 427 | I | 79.3 | Confident | 65.9 | Low | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -31.3 | -179 | -68.9 | 166.6 | 0 | 0 | 0 | 112.1 | T14 P425 F430 L431 V482 F526 F901 | T14-I427 HydrophobicContact CG2-CD1 4.37Å; P425-I427 PolarHBondContact O-N 2.95Å; I427-F430 PolarHBondContact O-N 3.48Å; I427-L431 HydrophobicContact CG2-CD1 3.87Å; I427-L431 HydrophobicContact CG2-CG 4.28Å; I427-L431 WeakPolarHBondContact O-CB 3.38Å; I427-L431 WeakPolarHBondContact O-CG 3.25Å; I427-L431 PolarHBondContact O-N 3.41Å; I427-V482 HydrophobicContact CB-CG2 4.36Å; I427-V482 HydrophobicContact CG2-CG2 3.96Å; I427-F526 HydrophobicContact CG2-CE2 3.79Å; I427-F526 HydrophobicContact CG2-CZ 3.75Å; I427-F901 HydrophobicContact CD1-CD2 3.63Å; I427-F901 HydrophobicContact CD1-CE2 3.41Å; I427-F901 VanDerWaalsContact CD1-CE2 3.41Å; I427-F901 HydrophobicContact CD1-CZ 4.17Å |
| 428 | A | 74.9 | Confident | 63.7 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.1 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N426 L431 T432 L480 S481 V482 L513 | N426-A428 PolarHBondContact O-N 3.47Å; N426-A428 WeakPolarHBondContact OD1-CB 3.41Å; N426-A428 PolarHBondContact OD1-N 3.13Å; A428-L431 PolarHBondContact O-N 2.88Å; A428-T432 WeakPolarHBondContact O-CB 2.98Å; A428-T432 WeakPolarHBondContact O-CG2 3.38Å; A428-T432 PolarHBondContact O-N 3.39Å; A428-T432 PolarHBondContact O-OG1 2.9Å; A428-L480 HydrophobicContact CB-CB 4.08Å; A428-S481 VanDerWaalsContact CB-C 3.4Å; A428-V482 HydrophobicContact CB-CG2 3.97Å; A428-L513 HydrophobicContact CB-CD2 3.94Å |
| 429 | M | 74 | Confident | 61.7 | Low | 57 Ų | 57 | 65 Ų | 65 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 169.3 | -77.7 | -63 | -70.8 | 0 | 0 | 110.8 | N426 L431 T432 S433 N477 L480 | N426-M429 HydrophobicContact CB-CB 4.05Å; N426-M429 HydrophobicContact CB-CG 4.21Å; N426-M429 PolarHBondContact O-N 2.93Å; N426-M429 PolarHBondContact OD1-N 3.33Å; M429-L431 PolarHBondContact O-N 3.38Å; M429-T432 PolarHBondContact O-N 3.17Å; M429-T432 VanDerWaalsContact O-N 3.13Å; M429-T432 PolarHBondContact O-OG1 3.1Å; M429-S433 WeakPolarHBondContact O-CB 3.29Å; M429-S433 PolarHBondContact O-N 3.11Å; M429-S433 PolarHBondContact O-OG 2.98Å; M429-N477 HydrophobicContact CE-CB 3.98Å; M429-N477 HydrophobicContact SD-CB 4.36Å; M429-L480 HydrophobicContact CG-CB 4.47Å; M429-L480 HydrophobicContact SD-CB 4.2Å; M429-L480 HydrophobicContact SD-CD1 3.86Å |
| 430 | F | 73 | Confident | 59.6 | Low | 23 Ų | 23 | 73.2 Ų | 73.2 | 10% | 0.101 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 174.8 | 162.6 | -115.3 | 0 | 0 | 0 | 113.1 | N426 I427 T432 S433 F526 T529 H533 L553 K555 | N426-F430 PolarHBondContact O-N 2.96Å; I427-F430 PolarHBondContact O-N 3.48Å; F430-T432 VanDerWaalsContact C-N 3.27Å; F430-T432 PolarHBondContact O-N 3.45Å; F430-S433 WeakPolarHBondContact CA-OG 3.21Å; F430-S433 PolarHBondContact O-OG 2.87Å; F430-S433 VanDerWaalsContact O-OG 3.05Å; F430-F526 HydrophobicContact CD1-CE2 4.48Å; F430-F526 HydrophobicContact CE1-CD2 4Å; F430-F526 HydrophobicContact CE1-CE2 4.26Å; F430-T529 HydrophobicContact CD2-CG2 3.94Å; F430-T529 HydrophobicContact CE1-CG2 4.3Å; F430-T529 HydrophobicContact CE2-CG2 3.21Å; F430-T529 HydrophobicContact CZ-CG2 3.41Å; F430-T529 VanDerWaalsContact CZ-CG2 3.41Å; F430-H533 AromaticContact CD2-NE2 3.86Å; F430-L553 HydrophobicContact CE1-CD2 4.45Å; F430-L553 HydrophobicContact CE2-CD1 3.83Å; F430-L553 HydrophobicContact CE2-CD2 4.45Å; F430-L553 HydrophobicContact CZ-CD1 3.83Å; F430-L553 HydrophobicContact CZ-CD2 3.63Å; F430-L553 HydrophobicContact CZ-CG 4.41Å; F430-K555 PolarHBondContact O-NZ 2.96Å |
| 431 | L | 75.6 | Confident | 57.5 | Low | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65 | -29.9 | 178 | -74.2 | 168.8 | 0 | 0 | 0 | 112.2 | I427 A428 M429 V482 F511 I519 V521 F526 K555 | I427-L431 HydrophobicContact CG2-CD1 3.87Å; I427-L431 HydrophobicContact CG2-CG 4.28Å; I427-L431 WeakPolarHBondContact O-CB 3.38Å; I427-L431 WeakPolarHBondContact O-CG 3.25Å; I427-L431 PolarHBondContact O-N 3.41Å; A428-L431 PolarHBondContact O-N 2.88Å; M429-L431 PolarHBondContact O-N 3.38Å; L431-V482 HydrophobicContact CD1-CG2 4.19Å; L431-F511 HydrophobicContact CD1-CB 3.82Å; L431-F511 HydrophobicContact CD1-CD1 3.73Å; L431-F511 HydrophobicContact CD1-CD2 3.81Å; L431-F511 HydrophobicContact CD1-CE1 4.2Å; L431-F511 HydrophobicContact CD1-CE2 4.28Å; L431-F511 HydrophobicContact CD1-CG 3.52Å; L431-F511 HydrophobicContact CD1-CZ 4.47Å; L431-F511 HydrophobicContact CD2-CD2 4.07Å; L431-F511 HydrophobicContact CD2-CE2 4.11Å; L431-I519 HydrophobicContact CB-CD1 4.09Å; L431-I519 HydrophobicContact CD2-CG2 4.32Å; L431-V521 HydrophobicContact CD2-CG2 3.65Å; L431-F526 HydrophobicContact CD1-CE2 4.48Å; L431-F526 HydrophobicContact CD2-CD2 4.12Å; L431-F526 HydrophobicContact CD2-CE2 4.05Å; L431-F526 HydrophobicContact CG-CE2 4.36Å; L431-K555 VanDerWaalsContact C-NZ 3.31Å; L431-K555 WeakPolarHBondContact O-CD 3.21Å; L431-K555 VanDerWaalsContact O-CE 3.3Å; L431-K555 WeakPolarHBondContact O-CE 3.29Å; L431-K555 PolarHBondContact O-NZ 2.91Å |
| 432 | T | 72.4 | Confident | 55.4 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.117 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -95.7 | -27.2 | -179.3 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | A428 M429 F430 S434 I435 L480 L513 I519 | A428-T432 WeakPolarHBondContact O-CB 2.98Å; A428-T432 WeakPolarHBondContact O-CG2 3.38Å; A428-T432 PolarHBondContact O-N 3.39Å; A428-T432 PolarHBondContact O-OG1 2.9Å; M429-T432 PolarHBondContact O-N 3.17Å; M429-T432 VanDerWaalsContact O-N 3.13Å; M429-T432 PolarHBondContact O-OG1 3.1Å; F430-T432 VanDerWaalsContact C-N 3.27Å; F430-T432 PolarHBondContact O-N 3.45Å; T432-S434 PolarHBondContact O-N 3.12Å; T432-I435 WeakPolarHBondContact O-CB 3.34Å; T432-I435 WeakPolarHBondContact O-CG1 3.24Å; T432-I435 PolarHBondContact O-N 3.29Å; T432-L480 HydrophobicContact CG2-CD1 4.35Å; T432-L513 HydrophobicContact CG2-CD1 3.67Å; T432-I519 HydrophobicContact CG2-CD1 3.95Å |
| 433 | S | 61 | Low | 53.5 | Low | 66 Ų | 66 | 78 Ų | 78 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 119.4 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 109.5 | M429 F430 K555 | M429-S433 WeakPolarHBondContact O-CB 3.29Å; M429-S433 PolarHBondContact O-N 3.11Å; M429-S433 PolarHBondContact O-OG 2.98Å; F430-S433 WeakPolarHBondContact CA-OG 3.21Å; F430-S433 PolarHBondContact O-OG 2.87Å; F430-S433 VanDerWaalsContact O-OG 3.05Å; S433-K555 PolarHBondContact O-NZ 2.81Å |
| 434 | S | 52.6 | Low | 52.2 | Low | 64 Ų | 64 | 81.7 Ų | 81.7 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | -5.9 | -164.6 | 85 | 0 | 0 | 0 | 0 | 115.9 | T432 T436 K555 | T432-S434 PolarHBondContact O-N 3.12Å; S434-T436 VanDerWaalsContact C-N 3.32Å; S434-K555 PolarHBondContact OG-NZ 3.28Å; S434-K555 VanDerWaalsContact OG-NZ 3.11Å |
| 435 | I | 49.2 | Very low | 50.5 | Low | 53 Ų | 53 | 88 Ų | 88 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | trans | -98.7 | 22.6 | 175.6 | -45.4 | 178.1 | 0 | 0 | 0 | 110.8 | T432 D437 I519 | T432-I435 WeakPolarHBondContact O-CB 3.34Å; T432-I435 WeakPolarHBondContact O-CG1 3.24Å; T432-I435 PolarHBondContact O-N 3.29Å; I435-D437 PolarHBondContact O-N 3.42Å; I435-D437 VanDerWaalsContact O-N 3.14Å; I435-I519 HydrophobicContact CD1-CD1 3.86Å | ||
| 436 | T | 36.5 | Very low | 48.9 | Very low | 121 Ų | 121 | 90.5 Ų | 90.5 | 74% | 0.742 | 49% | 0.49 | S | S | * | . | trans | -80.7 | 84.5 | 170.3 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | S434 S438 | S434-T436 VanDerWaalsContact C-N 3.32Å; T436-S438 VanDerWaalsContact C-N 3.27Å; T436-S438 PolarHBondContact O-N 3.5Å | ||
| 437 | D | 34.2 | Very low | 47 | Very low | 116 Ų | 116 | 94.6 Ų | 94.6 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | trans | -64.8 | 84.8 | 169.8 | -97.9 | -48.4 | 0 | 0 | 0 | 110.4 | I435 K439 Y440 | I435-D437 PolarHBondContact O-N 3.42Å; I435-D437 VanDerWaalsContact O-N 3.14Å; D437-K439 PolarHBondContact O-N 3.31Å; D437-Y440 HydrophobicContact CB-CD2 4.33Å; D437-Y440 PolarHBondContact O-N 2.99Å | ||
| 438 | S | 30 | Very low | 44.6 | Very low | 120 Ų | 120 | 101.3 Ų | 101.3 | 84% | 0.839 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 33.4 | 179.8 | 73.6 | 0 | 0 | 0 | 0 | 113.5 | T436 | T436-S438 VanDerWaalsContact C-N 3.27Å; T436-S438 PolarHBondContact O-N 3.5Å |
| 439 | K | 31.6 | Very low | 42.7 | Very low | 173 Ų | 173 | 110.1 Ų | 110.1 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | -5.4 | 180 | -78.2 | -176 | 174.7 | 174 | 0 | 113.9 | D437 | D437-K439 PolarHBondContact O-N 3.31Š|
| 440 | Y | 33.4 | Very low | 40.4 | Very low | 182 Ų | 182 | 111.6 Ų | 111.6 | 71% | 0.714 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -121.8 | 34.4 | -176 | -75 | -69 | 0 | 0 | 0 | 114.4 | D437 | D437-Y440 HydrophobicContact CB-CD2 4.33Å; D437-Y440 PolarHBondContact O-N 2.99Å |
| 441 | H | 27.8 | Very low | 38.5 | Very low | 198 Ų | 198 | 118.1 Ų | 118.1 | 92% | 0.917 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -110.8 | 12.5 | 173.4 | -119.5 | -53.1 | 0 | 0 | 0 | 115.1 | ||
| 442 | S | 26.3 | Very low | 36.4 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -137.2 | 136.2 | 173.2 | 61 | 0 | 0 | 0 | 0 | 110.8 | ||
| 443 | N | 26.9 | Very low | 34.4 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | 71.6 | 96.4 | 179.3 | -49 | -31.7 | 0 | 0 | 0 | 115.8 | ||||
| 444 | I | 31.5 | Very low | 33 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | -150.8 | 130 | 107.9 | -95.8 | 151.7 | 0 | 0 | 0 | 108.1 | |||||
| 445 | I | 29.5 | Very low | 31.8 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | -111.7 | 146.2 | 167.4 | -66.8 | 173.5 | 0 | 0 | 0 | 106.6 | ||||
| 446 | S | 34.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -51 | 151.6 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 447 | P | 34.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | -150 | -175.6 | 86.7 | 40.2 | -21.6 | 0 | 0 | 0 | 117 | |||||
| 448 | N | 27.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -83.2 | 156.8 | -167.3 | -48.7 | -44.8 | 0 | 0 | 0 | 116.3 | ||||
| 449 | H | 35.2 | Very low | 30.6 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -169.6 | 127.8 | 138.3 | -95.5 | -63.6 | 0 | 0 | 0 | 107.6 | ||||
| 450 | S | 26.6 | Very low | 30.6 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | cis | 99.4 | 103.4 | 16.8 | 85.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 451 | L | 31.8 | Very low | 30.5 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 177.3 | 106.3 | 156.6 | -92.8 | 151.6 | 0 | 0 | 0 | 104.5 | ||||
| 452 | L | 31.7 | Very low | 30.6 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | 64.9 | 122.3 | 71.5 | -59.9 | 171.7 | 0 | 0 | 0 | 111.4 | |||||
| 453 | D | 30.8 | Very low | 30.8 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | cis | -146.7 | -172.6 | -0 | -84.1 | -45.9 | 0 | 0 | 0 | 108.6 | ||||
| 454 | D | 32.3 | Very low | 30.7 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -155.8 | -178.5 | 21.4 | -174.4 | 39.3 | 0 | 0 | 0 | 113.7 | ||||
| 455 | S | 26.9 | Very low | 30.6 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | trans | -29.7 | 136.2 | 175.1 | 68.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 456 | L | 33.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | -171.1 | 130.3 | 102.9 | -99.7 | 167.9 | 0 | 0 | 0 | 114.2 | |||||
| 457 | T | 33.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 51 | 103.2 | 159.9 | 50.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 458 | A | 27.7 | Very low | 29.9 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -72.4 | 159 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 459 | S | 30 | Very low | 29.9 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -151.8 | 154.5 | 120.4 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 460 | P | 30.9 | Very low | 29.6 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -124.1 | 140.6 | -160.8 | 37.8 | -22.6 | 0 | 0 | 0 | 116.1 | ||||
| 461 | I | 31.3 | Very low | 29.9 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -136 | 124.8 | 151.4 | -60.5 | -177.1 | 0 | 0 | 0 | 108 | ||||
| 462 | T | 30.9 | Very low | 29.8 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -115 | 138.2 | 179.9 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 463 | N | 29 | Very low | 29.9 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -12.6 | 126.9 | 161.5 | -51.3 | -18.5 | 0 | 0 | 0 | 117.2 | ||||
| 464 | Q | 25.2 | Very low | 30 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -162.5 | 101.3 | 137.5 | -115.5 | 176.5 | 21.6 | 0 | 0 | 112.7 | ||||
| 465 | I | 29.6 | Very low | 30.1 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -166.6 | 100.2 | 149.9 | -87.9 | 140.1 | 0 | 0 | 0 | 101.4 | ||||
| 466 | L | 27.5 | Very low | 30.6 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | 51.6 | 70.5 | 70 | -73.5 | 168.3 | 0 | 0 | 0 | 113 | N468 | L466-N468 PolarHBondContact O-N 3.11Š| |||
| 467 | C | 27.9 | Very low | 31 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -58.5 | 110 | 148 | -54.1 | 0 | 0 | 0 | 0 | 107.7 | D469 | C467-D469 PolarHBondContact O-N 2.98Š| ||
| 468 | N | 28.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 101.5 | 168.1 | -96.5 | -4.8 | 0 | 0 | 0 | 108.5 | L466 N470 | L466-N468 PolarHBondContact O-N 3.11Å; N468-N470 PolarHBondContact O-N 2.66Å; N468-N470 VanDerWaalsContact O-N 3.08Å | ||
| 469 | D | 27.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -63.9 | 104.4 | 165.6 | -65.5 | -51.6 | 0 | 0 | 0 | 109.2 | C467 | C467-D469 PolarHBondContact O-N 2.98Š| ||
| 470 | N | 29.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | -162.7 | -9.7 | 163 | -102.5 | -39.7 | 0 | 0 | 0 | 116.7 | N468 S472 | N468-N470 PolarHBondContact O-N 2.66Å; N468-N470 VanDerWaalsContact O-N 3.08Å; N470-S472 PolarHBondContact O-N 3.35Å | ||
| 471 | D | 31.5 | Very low | 37.9 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -83.3 | 61.5 | 174.4 | -88.6 | -38.4 | 0 | 0 | 0 | 113.1 | N473 | D471-N473 PolarHBondContact O-N 2.9Š| ||
| 472 | S | 30.7 | Very low | 40.3 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 60.2 | 179.2 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | N470 | N470-S472 PolarHBondContact O-N 3.35Š|
| 473 | N | 33.4 | Very low | 42.6 | Very low | 158 Ų | 158 | 112.2 Ų | 112.2 | 85% | 0.845 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.9 | -10.1 | 167 | -105.6 | -29.6 | 0 | 0 | 0 | 117.4 | D471 | D471-N473 PolarHBondContact O-N 2.9Š|
| 474 | N | 33.5 | Very low | 45 | Very low | 153 Ų | 153 | 104.6 Ų | 104.6 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | trans | -92.4 | 111.9 | 176 | -83.3 | -23 | 0 | 0 | 0 | 111.5 | G476 | N474-G476 PolarHBondContact O-N 2.92Š| ||
| 475 | N | 33.2 | Very low | 47.8 | Very low | 133 Ų | 133 | 96.1 Ų | 96.1 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | trans | -64.9 | 115.6 | 175.2 | -78.1 | -37.7 | 0 | 0 | 0 | 111 | N477 | N475-N477 PolarHBondContact O-N 2.94Š| ||
| 476 | G | 37.2 | Very low | 50.3 | Low | 87 Ų | 87 | 88.9 Ų | 88.9 | 90% | 0.897 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 28.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | N474 | N474-G476 PolarHBondContact O-N 2.92Š|
| 477 | N | 42.6 | Very low | 52.9 | Low | 93 Ų | 93 | 82.8 Ų | 82.8 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -20 | -174.6 | -79.2 | -23.7 | 0 | 0 | 0 | 114.6 | M429 N475 N479 | M429-N477 HydrophobicContact CE-CB 3.98Å; M429-N477 HydrophobicContact SD-CB 4.36Å; N475-N477 PolarHBondContact O-N 2.94Å; N477-N479 PolarHBondContact O-N 3.12Å |
| 478 | D | 48.9 | Very low | 55.3 | Low | 126 Ų | 126 | 77.4 Ų | 77.4 | 67% | 0.674 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 7.6 | -153.3 | -65.8 | -2.7 | 0 | 0 | 0 | 116.9 | ||
| 479 | N | 64 | Low | 57.1 | Low | 106 Ų | 106 | 72.1 Ų | 72.1 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139 | 35.4 | -176.1 | -89.3 | -93.8 | 0 | 0 | 0 | 114.5 | N477 | N477-N479 PolarHBondContact O-N 3.12Š|
| 480 | L | 76 | Confident | 58.8 | Low | 26 Ų | 26 | 67.2 Ų | 67.2 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | trans | -77.3 | 131.8 | 165.1 | -80.7 | 161.6 | 0 | 0 | 0 | 110.9 | N426 A428 M429 T432 N515 | N426-L480 PolarHBondContact ND2-O 3.04Å; N426-L480 PolarHBondContact OD1-O 2.97Å; A428-L480 HydrophobicContact CB-CB 4.08Å; M429-L480 HydrophobicContact CG-CB 4.47Å; M429-L480 HydrophobicContact SD-CB 4.2Å; M429-L480 HydrophobicContact SD-CD1 3.86Å; T432-L480 HydrophobicContact CG2-CD1 4.35Å; L480-N515 HydrophobicContact CD2-CB 4.01Å; L480-N515 WeakPolarHBondContact CD2-ND2 3.42Å | ||
| 481 | S | 77.2 | Confident | 60 | Low | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | trans | -134.9 | 154.8 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | A428 L513 S514 | A428-S481 VanDerWaalsContact CB-C 3.4Å; S481-L513 WeakPolarHBondContact O-CA 3.23Å; S481-S514 PolarHBondContact N-OG 3.3Å; S481-S514 PolarHBondContact O-N 2.88Å; S481-S514 WeakPolarHBondContact OG-CB 3.4Å | ||
| 482 | V | 82.3 | Confident | 61 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.3 | 168.9 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | I427 A428 L431 F511 L513 G897 P898 F901 | I427-V482 HydrophobicContact CB-CG2 4.36Å; I427-V482 HydrophobicContact CG2-CG2 3.96Å; A428-V482 HydrophobicContact CB-CG2 3.97Å; L431-V482 HydrophobicContact CD1-CG2 4.19Å; V482-F511 HydrophobicContact CG1-CB 4.48Å; V482-F511 HydrophobicContact CG1-CD1 4.11Å; V482-F511 HydrophobicContact CG2-CD1 4.47Å; V482-L513 HydrophobicContact CB-CD2 4.45Å; V482-L513 HydrophobicContact CG2-CD2 3.95Å; V482-G897 WeakPolarHBondContact O-CA 3.41Å; V482-P898 HydrophobicContact CB-CG 4.38Å; V482-P898 HydrophobicContact CG1-CG 4.03Å; V482-P898 WeakPolarHBondContact O-CD 3.42Å; V482-F901 HydrophobicContact CG1-CZ 4.36Å |
| 483 | T | 79.3 | Confident | 61.7 | Low | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -31.7 | -178.2 | 51 | 0 | 0 | 0 | 0 | 111.8 | G512 P564 V565 L790 | T483-G512 PolarHBondContact N-O 3.45Å; T483-G512 PolarHBondContact OG1-O 3.4Å; T483-P564 HydrophobicContact CG2-CB 4.28Å; T483-V565 VanDerWaalsContact CB-O 3.29Å; T483-V565 WeakPolarHBondContact CB-O 3.22Å; T483-V565 PolarHBondContact OG1-O 3.13Å; T483-L790 VanDerWaalsContact O-CD1 3.25Å; T483-L790 WeakPolarHBondContact O-CD1 3.14Å |
| 484 | V | 79.3 | Confident | 62.3 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 150.9 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | F511 G512 V565 L568 | V484-F511 CarbonylContact O-C 3.58Å; V484-F511 WeakPolarHBondContact O-CA 3.15Å; V484-G512 PolarHBondContact N-O 2.89Å; V484-G512 PolarHBondContact O-N 2.85Å; V484-V565 HydrophobicContact CG1-CB 4.29Å; V484-V565 HydrophobicContact CG1-CG1 3.94Å; V484-V565 WeakPolarHBondContact CG1-O 3.3Å; V484-L568 HydrophobicContact CG1-CD1 3.95Å; V484-L568 HydrophobicContact CG1-CG 3.74Å; V484-L568 HydrophobicContact CG2-CB 4.28Å; V484-L568 HydrophobicContact CG2-CD1 4.39Å; V484-L568 HydrophobicContact CG2-CG 4.19Å |
| 485 | C | 84.5 | Confident | 62.7 | Low | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 148.8 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | A510 F511 L871 F901 | C485-A510 CarbonylContact C-O 3.58Å; C485-A510 WeakPolarHBondContact CA-O 3.42Å; C485-A510 PolarHBondContact SG-O 2.75Å; C485-F511 HydrophobicContact CB-CD1 3.88Å; C485-F511 HydrophobicContact CB-CE1 4.26Å; C485-F511 VanDerWaalsContact SG-CD1 3.51Å; C485-F511 WeakPolarHBondContact SG-CE1 3.15Å; C485-L871 HydrophobicContact CB-CD1 3.78Å; C485-L871 WeakPolarHBondContact O-CD1 3.49Å; C485-F901 HydrophobicContact CB-CE1 4.14Å |
| 486 | I | 82.6 | Confident | 62.9 | Low | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 145.1 | 174.8 | -167.5 | 173.3 | 0 | 0 | 0 | 110.7 | L488 A510 L568 H570 L617 | I486-L488 HydrophobicContact CG2-CD2 4.05Å; I486-A510 HydrophobicContact CG2-CB 4.03Å; I486-A510 PolarHBondContact N-O 3.3Å; I486-A510 PolarHBondContact O-N 3.04Å; I486-L568 HydrophobicContact CB-CB 4.35Å; I486-L568 HydrophobicContact CG2-CB 3.8Å; I486-L568 HydrophobicContact CG2-CD1 3.92Å; I486-L568 HydrophobicContact CG2-CG 4.49Å; I486-H570 HydrophobicContact CD1-CB 4.19Å; I486-L617 HydrophobicContact CG2-CD1 4.47Å |
| 487 | Q | 80.8 | Confident | 63.1 | Low | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.6 | 170.2 | 175 | 166.7 | -12.2 | 0 | 0 | 110.4 | L509 M523 V867 L869 | Q487-L509 HydrophobicContact CB-CD2 3.96Å; Q487-L509 HydrophobicContact CG-CD2 4.34Å; Q487-M523 VanDerWaalsContact CD-CE 3.47Å; Q487-M523 HydrophobicContact CG-CE 4.11Å; Q487-V867 PolarHBondContact NE2-O 3.42Å; Q487-L869 HydrophobicContact CB-CB 4.49Å |
| 488 | L | 78.5 | Confident | 62.6 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.5 | 173.4 | -45.4 | 178.3 | 0 | 0 | 0 | 108 | I486 R508 A510 I520 H570 L617 L631 | I486-L488 HydrophobicContact CG2-CD2 4.05Å; L488-R508 HydrophobicContact CB-CB 4.11Å; L488-R508 HydrophobicContact CD1-CB 4.01Å; L488-R508 HydrophobicContact CG-CB 4.34Å; L488-R508 PolarHBondContact N-O 3.08Å; L488-A510 HydrophobicContact CD1-CB 4.36Å; L488-A510 HydrophobicContact CD2-CB 4.41Å; L488-A510 HydrophobicContact CG-CB 4.46Å; L488-I520 HydrophobicContact CD1-CG2 4.28Å; L488-H570 HydrophobicContact CD2-CB 3.66Å; L488-L617 HydrophobicContact CD2-CD1 4.17Å; L488-L631 HydrophobicContact CD1-CD1 4.12Å |
| 489 | N | 65.9 | Low | 62.3 | Low | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -68 | 155.2 | -179.9 | -68.1 | -25.1 | 0 | 0 | 0 | 111.5 | S573 | N489-S573 WeakPolarHBondContact CB-OG 3.32Å; N489-S573 PolarHBondContact N-OG 2.8Å; N489-S573 VanDerWaalsContact N-OG 3.07Å; N489-S573 PolarHBondContact ND2-O 3.08Å | ||
| 490 | Q | 62.9 | Low | 61 | Low | 48 Ų | 48 | 54 Ų | 54 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | trans | -67.8 | 139.1 | 169.7 | -56.8 | -175.3 | -66.1 | 0 | 0 | 109.5 | H505 Y507 M957 | Q490-H505 WeakPolarHBondContact CG-O 3.41Å; Q490-H505 PolarHBondContact NE2-O 3Å; Q490-Y507 HydrophobicContact CB-CE1 4.47Å; Q490-Y507 VanDerWaalsContact CD-CE1 3.42Å; Q490-Y507 HydrophobicContact CG-CD1 3.53Å; Q490-Y507 HydrophobicContact CG-CE1 3.4Å; Q490-Y507 HydrophobicContact CG-CE2 4.49Å; Q490-Y507 HydrophobicContact CG-CG 4.11Å; Q490-Y507 VanDerWaalsContact OE1-CE1 3.25Å; Q490-Y507 PolarHBondContact OE1-OH 3.17Å; Q490-M957 PolarHBondContact NE2-SD 2.98Å | ||
| 491 | M | 56.8 | Low | 59.3 | Low | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | trans | -138 | 131.6 | 176.2 | -52 | -163.8 | 101.8 | 0 | 0 | 108.1 | T493 A572 Y610 P614 | M491-T493 PolarHBondContact O-N 3.43Å; M491-A572 HydrophobicContact CE-CB 3.74Å; M491-A572 WeakPolarHBondContact CE-O 3.36Å; M491-A572 HydrophobicContact SD-CB 3.49Å; M491-A572 WeakPolarHBondContact SD-CB 3.47Å; M491-Y610 HydrophobicContact CE-CD1 4.16Å; M491-Y610 HydrophobicContact CE-CE1 3.91Å; M491-P614 HydrophobicContact CB-CB 3.86Å; M491-P614 HydrophobicContact CG-CB 4.22Å; M491-P614 HydrophobicContact SD-CB 3.58Å; M491-P614 VanDerWaalsContact SD-CB 3.58Å | ||
| 492 | T | 51.3 | Low | 57.7 | Low | 36 Ų | 36 | 57.6 Ų | 57.6 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 102.7 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | Y494 I504 Y610 | T492-Y494 PolarHBondContact O-N 3.4Å; T492-I504 HydrophobicContact CG2-CG1 4.32Å; T492-Y610 PolarHBondContact N-OH 3.04Å; T492-Y610 PolarHBondContact O-OH 3.42Å; T492-Y610 PolarHBondContact OG1-OH 2.95Å |
| 493 | T | 45.7 | Very low | 56 | Low | 25 Ų | 25 | 57.8 Ų | 57.8 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 106.2 | 173.7 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | M491 Q495 T503 H505 P614 | M491-T493 PolarHBondContact O-N 3.43Å; T493-Q495 PolarHBondContact O-N 3.07Å; T493-Q495 VanDerWaalsContact O-N 3.16Å; T493-T503 PolarHBondContact N-O 2.74Å; T493-T503 PolarHBondContact O-N 2.84Å; T493-T503 PolarHBondContact O-OG1 2.86Å; T493-T503 PolarHBondContact OG1-OG1 3.49Å; T493-H505 PolarHBondContact OG1-NE2 3.32Å; T493-P614 HydrophobicContact CG2-CG 3.96Å |
| 494 | Y | 44.9 | Very low | 54.8 | Low | 130 Ų | 130 | 61 Ų | 61 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | trans | -69.1 | 104.6 | 160.8 | -72.8 | -81.6 | 0 | 0 | 0 | 108.2 | T492 P502 | T492-Y494 PolarHBondContact O-N 3.4Å; Y494-P502 HydrophobicContact CD1-CB 3.91Å; Y494-P502 HydrophobicContact CD1-CG 4.49Å; Y494-P502 HydrophobicContact CE1-CB 3.74Å; Y494-P502 HydrophobicContact CE1-CG 3.92Å; Y494-P502 HydrophobicContact CG-CB 4.41Å | ||
| 495 | Q | 42.5 | Very low | 53.9 | Low | 110 Ų | 110 | 62 Ų | 62 | 51% | 0.514 | 33% | 0.325 | S | S | . | . | trans | -61.2 | 141.1 | 173 | -70.5 | -170.8 | -6.9 | 0 | 0 | 109.6 | T493 V497 S500 | T493-Q495 PolarHBondContact O-N 3.07Å; T493-Q495 VanDerWaalsContact O-N 3.16Å; Q495-V497 PolarHBondContact O-N 3.06Å; Q495-S500 PolarHBondContact O-OG 2.81Å | ||
| 496 | R | 38.3 | Very low | 53.1 | Low | 255 Ų | 255 | 62.5 Ų | 62.5 | 96% | 0.962 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -67.6 | 1.9 | -175.8 | -70.6 | -175.2 | 176.3 | 178.7 | -0.8 | 114.8 | Q498 | R496-Q498 PolarHBondContact O-N 3.36Š|
| 497 | V | 39.8 | Very low | 52.8 | Low | 100 Ų | 100 | 62.3 Ų | 62.3 | 61% | 0.606 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -82.4 | 110 | 176 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | Q495 G499 S500 | Q495-V497 PolarHBondContact O-N 3.06Å; V497-G499 PolarHBondContact O-N 3.5Å; V497-S500 WeakPolarHBondContact O-CB 3.4Å; V497-S500 PolarHBondContact O-N 2.94Å; V497-S500 PolarHBondContact O-OG 2.9Å |
| 498 | Q | 34 | Very low | 52.9 | Low | 190 Ų | 190 | 62.2 Ų | 62.2 | 89% | 0.888 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 124.6 | 177.1 | -72 | -177.7 | -28.1 | 0 | 0 | 110.8 | R496 | R496-Q498 PolarHBondContact O-N 3.36Š|
| 499 | G | 41.4 | Very low | 53.2 | Low | 85 Ų | 85 | 62.2 Ų | 62.2 | 88% | 0.876 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | -2.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V497 | V497-G499 PolarHBondContact O-N 3.5Š|
| 500 | S | 37 | Very low | 54.2 | Low | 37 Ų | 37 | 60.6 Ų | 60.6 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 136.6 | 169.8 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | Q495 V497 | Q495-S500 PolarHBondContact O-OG 2.81Å; V497-S500 WeakPolarHBondContact O-CB 3.4Å; V497-S500 PolarHBondContact O-N 2.94Å; V497-S500 PolarHBondContact O-OG 2.9Å |
| 501 | P | 39.9 | Very low | 55.4 | Low | 52 Ų | 52 | 58.3 Ų | 58.3 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 154.8 | 174.4 | 29.3 | -32.9 | 0 | 0 | 0 | 111.4 | T503 Y950 | P501-T503 PolarHBondContact O-N 3.38Å; P501-Y950 HydrophobicContact CB-CD2 3.67Å; P501-Y950 HydrophobicContact CB-CE2 3.83Å; P501-Y950 HydrophobicContact CG-CD2 3.37Å; P501-Y950 HydrophobicContact CG-CE2 4.07Å; P501-Y950 HydrophobicContact CG-CG 3.97Å |
| 502 | P | 43.5 | Very low | 56.8 | Low | 54 Ų | 54 | 57.2 Ų | 57.2 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 127.6 | 179.3 | 26.9 | -33.3 | 0 | 0 | 0 | 111.3 | Y494 | Y494-P502 HydrophobicContact CD1-CB 3.91Å; Y494-P502 HydrophobicContact CD1-CG 4.49Å; Y494-P502 HydrophobicContact CE1-CB 3.74Å; Y494-P502 HydrophobicContact CE1-CG 3.92Å; Y494-P502 HydrophobicContact CG-CB 4.41Å |
| 503 | T | 46.3 | Very low | 58.6 | Low | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.2 | -179.9 | 65 | 0 | 0 | 0 | 0 | 110.5 | T493 P501 D953 | T493-T503 PolarHBondContact N-O 2.74Å; T493-T503 PolarHBondContact O-N 2.84Å; T493-T503 PolarHBondContact O-OG1 2.86Å; T493-T503 PolarHBondContact OG1-OG1 3.49Å; P501-T503 PolarHBondContact O-N 3.38Å; T503-D953 VanDerWaalsContact CB-OD2 3.25Å; T503-D953 WeakPolarHBondContact CB-OD2 3.46Å; T503-D953 WeakPolarHBondContact CG2-OD2 3.3Å |
| 504 | I | 55.7 | Low | 60.4 | Low | 69 Ų | 69 | 55.3 Ų | 55.3 | 35% | 0.354 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 102.3 | -176.6 | -53.3 | -178.9 | 0 | 0 | 0 | 109.3 | T492 M957 | T492-I504 HydrophobicContact CG2-CG1 4.32Å; I504-M957 HydrophobicContact CB-CG 4.17Å; I504-M957 HydrophobicContact CB-SD 4.42Å; I504-M957 HydrophobicContact CG2-CG 4.16Å; I504-M957 HydrophobicContact CG2-SD 3.81Å; I504-M957 WeakPolarHBondContact O-CE 3.48Å |
| 505 | H | 60.6 | Low | 62.4 | Low | 20 Ų | 20 | 51.9 Ų | 51.9 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 147.6 | -178.7 | -60.5 | -59.4 | 0 | 0 | 0 | 112.5 | Q490 T493 Y635 | Q490-H505 WeakPolarHBondContact CG-O 3.41Å; Q490-H505 PolarHBondContact NE2-O 3Å; T493-H505 PolarHBondContact OG1-NE2 3.32Å; H505-Y635 HydrophobicContact CB-CE1 4.37Å; H505-Y635 AromaticContact CD2-CE1 3.89Å; H505-Y635 AromaticContact CE1-CD1 3.4Å; H505-Y635 VanDerWaalsContact CE1-CD1 3.4Å; H505-Y635 WeakPolarHBondContact CE1-CD1 3.44Å; H505-Y635 AromaticContact CE1-CE1 3.28Å; H505-Y635 WeakPolarHBondContact CE1-CE1 3.31Å; H505-Y635 AromaticContact CE1-CZ 3.82Å; H505-Y635 AromaticContact CG-CE1 3.54Å; H505-Y635 AromaticContact ND1-CD1 3.38Å; H505-Y635 WeakPolarHBondContact ND1-CD1 3.23Å; H505-Y635 AromaticContact ND1-CE1 3.15Å; H505-Y635 WeakPolarHBondContact ND1-CE1 3.36Å; H505-Y635 AromaticContact NE2-CE1 3.72Å; H505-Y635 AromaticContact NE2-CZ 3.83Å |
| 506 | P | 67 | Low | 64.4 | Low | 13 Ų | 13 | 46.8 Ų | 46.8 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 160.3 | 176 | 29.3 | -35.8 | 0 | 0 | 0 | 112.8 | R508 R522 W634 M957 | P506-R508 PolarHBondContact O-N 3.03Å; P506-R522 HydrophobicContact CG-CG 4.32Å; P506-W634 HydrophobicContact CG-CH2 3.71Å; P506-W634 HydrophobicContact CG-CZ3 4.26Å; P506-M957 HydrophobicContact CB-CE 3.75Å |
| 507 | Y | 76.1 | Confident | 66.8 | Low | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 128.1 | 171.5 | -55.6 | -75.4 | 0 | 0 | 0 | 110.8 | Q490 M523 P865 P866 T960 F964 | Q490-Y507 HydrophobicContact CB-CE1 4.47Å; Q490-Y507 VanDerWaalsContact CD-CE1 3.42Å; Q490-Y507 HydrophobicContact CG-CD1 3.53Å; Q490-Y507 HydrophobicContact CG-CE1 3.4Å; Q490-Y507 HydrophobicContact CG-CE2 4.49Å; Q490-Y507 HydrophobicContact CG-CG 4.11Å; Q490-Y507 VanDerWaalsContact OE1-CE1 3.25Å; Q490-Y507 PolarHBondContact OE1-OH 3.17Å; Y507-M523 PolarHBondContact O-N 2.88Å; Y507-P865 HydrophobicContact CD1-CB 3.91Å; Y507-P865 HydrophobicContact CE1-CB 3.44Å; Y507-P865 VanDerWaalsContact CE1-CB 3.44Å; Y507-P866 HydrophobicContact CE2-CG 4.13Å; Y507-P866 VanDerWaalsContact CZ-CD 3.43Å; Y507-P866 WeakPolarHBondContact OH-CD 3.3Å; Y507-T960 HydrophobicContact CD2-CG2 4.35Å; Y507-F964 AromaticContact CD2-CE2 3.55Å; Y507-F964 HydrophobicContact CD2-CE2 3.55Å; Y507-F964 AromaticContact CD2-CZ 3.7Å; Y507-F964 HydrophobicContact CD2-CZ 3.7Å; Y507-F964 AromaticContact CE2-CE2 3.72Å; Y507-F964 HydrophobicContact CE2-CE2 3.72Å; Y507-F964 HydrophobicContact CE2-CZ 4.26Å |
| 508 | R | 81.9 | Confident | 69.2 | Low | 6 Ų | 6 | 34.2 Ų | 34.2 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149 | -177.5 | -67.7 | 171.6 | -69 | -172 | 0.6 | 110.8 | L488 P506 I520 V521 W634 Y635 | L488-R508 HydrophobicContact CB-CB 4.11Å; L488-R508 HydrophobicContact CD1-CB 4.01Å; L488-R508 HydrophobicContact CG-CB 4.34Å; L488-R508 PolarHBondContact N-O 3.08Å; P506-R508 PolarHBondContact O-N 3.03Å; R508-I520 HydrophobicContact CB-CG2 4.25Å; R508-V521 WeakPolarHBondContact CA-O 3.21Å; R508-W634 HydrophobicContact CG-CH2 4.33Å; R508-W634 HydrophobicContact CG-CZ2 4.37Å; R508-Y635 PolarHBondContact NH1-OH 3.49Å; R508-Y635 VanDerWaalsContact NH1-OH 3.09Å; R508-Y635 PolarHBondContact NH2-OH 2.87Å; R508-Y635 VanDerWaalsContact NH2-OH 3.09Å |
| 509 | L | 86.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.4 | 168.6 | -64 | 179.5 | 0 | 0 | 0 | 108.6 | Q487 F511 I520 V521 M523 F526 L869 F903 | Q487-L509 HydrophobicContact CB-CD2 3.96Å; Q487-L509 HydrophobicContact CG-CD2 4.34Å; L509-F511 HydrophobicContact CB-CD2 4.38Å; L509-F511 HydrophobicContact CB-CE2 3.52Å; L509-F511 HydrophobicContact CB-CZ 3.77Å; L509-F511 HydrophobicContact CD1-CE2 4.34Å; L509-F511 HydrophobicContact CD1-CZ 3.81Å; L509-F511 HydrophobicContact CG-CZ 4.45Å; L509-I520 WeakPolarHBondContact O-CA 3.21Å; L509-V521 PolarHBondContact N-O 2.94Å; L509-V521 PolarHBondContact O-N 3.29Å; L509-M523 HydrophobicContact CD1-CB 4.48Å; L509-M523 HydrophobicContact CD1-CG 4.33Å; L509-M523 HydrophobicContact CD2-CE 3.74Å; L509-M523 HydrophobicContact CG-CB 4.17Å; L509-M523 HydrophobicContact CG-CE 4.32Å; L509-M523 HydrophobicContact CG-CG 4.38Å; L509-F526 HydrophobicContact CD1-CB 4.45Å; L509-F526 HydrophobicContact CD1-CD1 3.62Å; L509-F526 HydrophobicContact CD1-CE1 4.07Å; L509-F526 HydrophobicContact CD1-CG 4.13Å; L509-L869 HydrophobicContact CD1-CD2 4.45Å; L509-L869 HydrophobicContact CD2-CB 4.43Å; L509-L869 HydrophobicContact CD2-CD2 3.74Å; L509-F903 HydrophobicContact CD1-CE1 4.26Å; L509-F903 HydrophobicContact CD1-CZ 4.42Å |
| 510 | A | 87.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | C485 I486 L488 I518 I519 I520 L568 L617 | C485-A510 CarbonylContact C-O 3.58Å; C485-A510 WeakPolarHBondContact CA-O 3.42Å; C485-A510 PolarHBondContact SG-O 2.75Å; I486-A510 HydrophobicContact CG2-CB 4.03Å; I486-A510 PolarHBondContact N-O 3.3Å; I486-A510 PolarHBondContact O-N 3.04Å; L488-A510 HydrophobicContact CD1-CB 4.36Å; L488-A510 HydrophobicContact CD2-CB 4.41Å; L488-A510 HydrophobicContact CG-CB 4.46Å; A510-I518 HydrophobicContact CB-CG2 4.47Å; A510-I519 CarbonylContact C-O 3.51Å; A510-I519 WeakPolarHBondContact CA-O 3.45Å; A510-I520 HydrophobicContact CB-CG1 4.02Å; A510-L568 HydrophobicContact CB-CD1 4.23Å; A510-L617 HydrophobicContact CB-CD2 4.35Å |
| 511 | F | 88.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.5 | -176.5 | -58.2 | -95.4 | 0 | 0 | 0 | 109.7 | L431 V482 V484 C485 L509 I518 I519 V521 F526 F901 | L431-F511 HydrophobicContact CD1-CB 3.82Å; L431-F511 HydrophobicContact CD1-CD1 3.73Å; L431-F511 HydrophobicContact CD1-CD2 3.81Å; L431-F511 HydrophobicContact CD1-CE1 4.2Å; L431-F511 HydrophobicContact CD1-CE2 4.28Å; L431-F511 HydrophobicContact CD1-CG 3.52Å; L431-F511 HydrophobicContact CD1-CZ 4.47Å; L431-F511 HydrophobicContact CD2-CD2 4.07Å; L431-F511 HydrophobicContact CD2-CE2 4.11Å; V482-F511 HydrophobicContact CG1-CB 4.48Å; V482-F511 HydrophobicContact CG1-CD1 4.11Å; V482-F511 HydrophobicContact CG2-CD1 4.47Å; V484-F511 CarbonylContact O-C 3.58Å; V484-F511 WeakPolarHBondContact O-CA 3.15Å; C485-F511 HydrophobicContact CB-CD1 3.88Å; C485-F511 HydrophobicContact CB-CE1 4.26Å; C485-F511 VanDerWaalsContact SG-CD1 3.51Å; C485-F511 WeakPolarHBondContact SG-CE1 3.15Å; L509-F511 HydrophobicContact CB-CD2 4.38Å; L509-F511 HydrophobicContact CB-CE2 3.52Å; L509-F511 HydrophobicContact CB-CZ 3.77Å; L509-F511 HydrophobicContact CD1-CE2 4.34Å; L509-F511 HydrophobicContact CD1-CZ 3.81Å; L509-F511 HydrophobicContact CG-CZ 4.45Å; F511-I518 CarbonylContact O-C 3.53Å; F511-I518 VanDerWaalsContact O-CA 3.23Å; F511-I518 WeakPolarHBondContact O-CA 3.5Å; F511-I519 PolarHBondContact N-O 3.38Å; F511-I519 PolarHBondContact O-N 3.13Å; F511-V521 HydrophobicContact CE2-CG2 4.34Å; F511-F526 HydrophobicContact CE1-CE1 4.17Å; F511-F526 AromaticContact CE1-CE2 3.75Å; F511-F526 HydrophobicContact CE1-CE2 3.75Å; F511-F526 AromaticContact CE1-CZ 3.52Å; F511-F526 HydrophobicContact CE1-CZ 3.52Å; F511-F526 HydrophobicContact CE2-CD2 4.04Å; F511-F526 AromaticContact CE2-CE2 3.96Å; F511-F526 HydrophobicContact CE2-CE2 3.96Å; F511-F526 HydrophobicContact CE2-CZ 4.4Å; F511-F526 HydrophobicContact CZ-CD1 4.11Å; F511-F526 AromaticContact CZ-CD2 3.66Å; F511-F526 HydrophobicContact CZ-CD2 3.66Å; F511-F526 AromaticContact CZ-CE1 3.75Å; F511-F526 HydrophobicContact CZ-CE1 3.75Å; F511-F526 AromaticContact CZ-CE2 3.27Å; F511-F526 HydrophobicContact CZ-CE2 3.27Å; F511-F526 HydrophobicContact CZ-CG 4.07Å; F511-F526 AromaticContact CZ-CZ 3.31Å; F511-F526 HydrophobicContact CZ-CZ 3.31Å; F511-F901 HydrophobicContact CD1-CE1 4.31Å; F511-F901 AromaticContact CE1-CE1 3.75Å; F511-F901 HydrophobicContact CE1-CE1 3.75Å; F511-F901 HydrophobicContact CE1-CZ 4.35Å |
| 512 | G | 86 | Confident | 78.1 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T483 V484 | T483-G512 PolarHBondContact N-O 3.45Å; T483-G512 PolarHBondContact OG1-O 3.4Å; V484-G512 PolarHBondContact N-O 2.89Å; V484-G512 PolarHBondContact O-N 2.85Å |
| 513 | L | 87.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 160.4 | -178.2 | -58.8 | -174 | 0 | 0 | 0 | 112.5 | A428 T432 S481 V482 N515 G516 R517 I519 V565 | A428-L513 HydrophobicContact CB-CD2 3.94Å; T432-L513 HydrophobicContact CG2-CD1 3.67Å; S481-L513 WeakPolarHBondContact O-CA 3.23Å; V482-L513 HydrophobicContact CB-CD2 4.45Å; V482-L513 HydrophobicContact CG2-CD2 3.95Å; L513-N515 WeakPolarHBondContact CB-OD1 3.48Å; L513-N515 PolarHBondContact O-N 3.31Å; L513-N515 VanDerWaalsContact O-N 3.13Å; L513-G516 PolarHBondContact O-N 3.28Å; L513-G516 VanDerWaalsContact O-N 3.12Å; L513-R517 HydrophobicContact CD1-CB 4.49Å; L513-R517 PolarHBondContact N-O 3.26Å; L513-I519 HydrophobicContact CD1-CD1 3.77Å; L513-I519 HydrophobicContact CD1-CG1 4.27Å; L513-V565 PolarHBondContact O-N 2.82Å |
| 514 | S | 84.9 | Confident | 81.8 | Confident | 22 Ų | 22 | 17.8 Ų | 17.8 | 15% | 0.154 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.7 | 174.6 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | S481 G563 P564 | S481-S514 PolarHBondContact N-OG 3.3Å; S481-S514 PolarHBondContact O-N 2.88Å; S481-S514 WeakPolarHBondContact OG-CB 3.4Å; S514-G563 CarbonylContact O-C 3.59Å; S514-P564 VanDerWaalsContact O-CD 3.28Å; S514-P564 WeakPolarHBondContact O-CD 3.43Å; S514-P564 WeakPolarHBondContact O-CG 3.31Å |
| 515 | N | 85.4 | Confident | 82.9 | Confident | 58 Ų | 58 | 15.5 Ų | 15.5 | 31% | 0.31 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.5 | 178.4 | 72.2 | -1 | 0 | 0 | 0 | 115.1 | L480 L513 R517 | L480-N515 HydrophobicContact CD2-CB 4.01Å; L480-N515 WeakPolarHBondContact CD2-ND2 3.42Å; L513-N515 WeakPolarHBondContact CB-OD1 3.48Å; L513-N515 PolarHBondContact O-N 3.31Å; L513-N515 VanDerWaalsContact O-N 3.13Å; N515-R517 VanDerWaalsContact C-N 3.33Å; N515-R517 PolarHBondContact O-N 3.16Å; N515-R517 WeakPolarHBondContact OD1-CB 3.35Å; N515-R517 WeakPolarHBondContact OD1-CG 3.43Å; N515-R517 PolarHBondContact OD1-N 3.08Å |
| 516 | G | 86.3 | Confident | 84 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 80.6 | 5.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | L513 H561 G563 | L513-G516 PolarHBondContact O-N 3.28Å; L513-G516 VanDerWaalsContact O-N 3.12Å; G516-H561 PolarHBondContact O-N 3.4Å; G516-G563 WeakPolarHBondContact CA-O 3.25Å; G516-G563 PolarHBondContact N-O 2.99Å |
| 517 | R | 88.5 | Confident | 84.8 | Confident | 90 Ų | 90 | 14 Ų | 14 | 34% | 0.34 | 6% | 0.064 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 147.8 | 169.1 | -57.6 | -174.6 | -177.2 | -176.5 | 0 | 110.5 | L513 N515 N559 | L513-R517 HydrophobicContact CD1-CB 4.49Å; L513-R517 PolarHBondContact N-O 3.26Å; N515-R517 VanDerWaalsContact C-N 3.33Å; N515-R517 PolarHBondContact O-N 3.16Å; N515-R517 WeakPolarHBondContact OD1-CB 3.35Å; N515-R517 WeakPolarHBondContact OD1-CG 3.43Å; N515-R517 PolarHBondContact OD1-N 3.08Å; R517-N559 WeakPolarHBondContact CG-OD1 3.21Å |
| 518 | I | 89.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.8 | 166 | -50.6 | 162.1 | 0 | 0 | 0 | 107.8 | A510 F511 L558 V565 L568 L617 W629 | A510-I518 HydrophobicContact CB-CG2 4.47Å; F511-I518 CarbonylContact O-C 3.53Å; F511-I518 VanDerWaalsContact O-CA 3.23Å; F511-I518 WeakPolarHBondContact O-CA 3.5Å; I518-L558 HydrophobicContact CB-CB 4.14Å; I518-L558 HydrophobicContact CB-CD1 4.37Å; I518-L558 HydrophobicContact CG2-CD1 4.49Å; I518-L558 PolarHBondContact N-O 2.77Å; I518-L558 PolarHBondContact O-N 3.06Å; I518-V565 HydrophobicContact CD1-CG1 4.36Å; I518-V565 HydrophobicContact CG1-CG1 4.14Å; I518-V565 HydrophobicContact CG1-CG2 3.9Å; I518-L568 HydrophobicContact CD1-CD2 3.87Å; I518-L568 HydrophobicContact CG1-CD2 4.27Å; I518-L568 HydrophobicContact CG2-CD1 4.42Å; I518-L568 HydrophobicContact CG2-CD2 4.1Å; I518-L617 HydrophobicContact CG2-CD2 4.43Å; I518-W629 HydrophobicContact CD1-CZ2 4.09Å |
| 519 | I | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.2 | -179.9 | -59.6 | -177.1 | 0 | 0 | 0 | 109.3 | L431 T432 I435 A510 F511 L513 V521 K555 F556 | L431-I519 HydrophobicContact CB-CD1 4.09Å; L431-I519 HydrophobicContact CD2-CG2 4.32Å; T432-I519 HydrophobicContact CG2-CD1 3.95Å; I435-I519 HydrophobicContact CD1-CD1 3.86Å; A510-I519 CarbonylContact C-O 3.51Å; A510-I519 WeakPolarHBondContact CA-O 3.45Å; F511-I519 PolarHBondContact N-O 3.38Å; F511-I519 PolarHBondContact O-N 3.13Å; L513-I519 HydrophobicContact CD1-CD1 3.77Å; L513-I519 HydrophobicContact CD1-CG1 4.27Å; I519-V521 HydrophobicContact CG2-CG2 3.84Å; I519-K555 HydrophobicContact CG2-CB 4.33Å; I519-F556 CarbonylContact C-O 3.52Å; I519-F556 WeakPolarHBondContact CA-O 3.43Å |
| 520 | I | 86.7 | Confident | 84 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132 | 175.2 | -54.7 | -178.1 | 0 | 0 | 0 | 108.8 | L488 R508 L509 A510 K555 F556 L558 L617 L631 | L488-I520 HydrophobicContact CD1-CG2 4.28Å; R508-I520 HydrophobicContact CB-CG2 4.25Å; L509-I520 WeakPolarHBondContact O-CA 3.21Å; A510-I520 HydrophobicContact CB-CG1 4.02Å; I520-K555 WeakPolarHBondContact O-CA 3.3Å; I520-F556 HydrophobicContact CB-CB 4.42Å; I520-F556 HydrophobicContact CD1-CD1 4.46Å; I520-F556 PolarHBondContact N-O 2.84Å; I520-F556 PolarHBondContact O-N 3.03Å; I520-L558 HydrophobicContact CD1-CD1 4.12Å; I520-L617 HydrophobicContact CD1-CD2 4.23Å; I520-L631 HydrophobicContact CD1-CD2 3.41Å; I520-L631 VanDerWaalsContact CD1-CD2 3.41Å |
| 521 | V | 83.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.8 | -178.3 | -163.7 | 0 | 0 | 0 | 0 | 109.4 | L431 R508 L509 F511 I519 M523 D525 L553 K555 | L431-V521 HydrophobicContact CD2-CG2 3.65Å; R508-V521 WeakPolarHBondContact CA-O 3.21Å; L509-V521 PolarHBondContact N-O 2.94Å; L509-V521 PolarHBondContact O-N 3.29Å; F511-V521 HydrophobicContact CE2-CG2 4.34Å; I519-V521 HydrophobicContact CG2-CG2 3.84Å; V521-M523 PolarHBondContact O-N 2.69Å; V521-D525 HydrophobicContact CG1-CB 4.33Å; V521-L553 HydrophobicContact CG1-CD2 3.85Å; V521-K555 HydrophobicContact CG2-CG 4.22Å |
| 522 | R | 81 | Confident | 82.5 | Confident | 78 Ų | 78 | 21 Ų | 21 | 29% | 0.294 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 131.5 | 166.6 | -58.7 | -176.9 | -58.4 | -173.7 | 5.5 | 108.7 | P506 V524 D525 F526 S554 W634 | P506-R522 HydrophobicContact CG-CG 4.32Å; R522-V524 PolarHBondContact O-N 2.73Å; R522-V524 VanDerWaalsContact O-N 3.15Å; R522-D525 IonicContact CZ-OD1 3.7Å; R522-D525 IonicContact CZ-OD2 3.45Å; R522-D525 VanDerWaalsContact CZ-OD2 3.27Å; R522-D525 IonicContact NE-OD1 2.73Å; R522-D525 IonicContact NE-OD2 3.39Å; R522-D525 PolarHBondContact NE-OD2 3.24Å; R522-D525 VanDerWaalsContact NH2-CG 3.27Å; R522-D525 IonicContact NH2-OD1 3.44Å; R522-D525 PolarHBondContact NH2-OD1 3.42Å; R522-D525 IonicContact NH2-OD2 2.71Å; R522-D525 PolarHBondContact NH2-OD2 3.19Å; R522-D525 PolarHBondContact O-N 2.91Å; R522-D525 VanDerWaalsContact O-N 3.1Å; R522-F526 PolarHBondContact O-N 3.29Å; R522-S554 PolarHBondContact NE-OG 3.48Å; R522-W634 HydrophobicContact CG-CH2 4.16Å; R522-W634 HydrophobicContact CG-CZ2 3.85Å |
| 523 | M | 84.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.1 | -37.7 | -179.6 | 177.5 | -175.1 | -88.3 | 0 | 0 | 111.6 | Q487 Y507 L509 V521 F526 L527 V867 F964 | Q487-M523 VanDerWaalsContact CD-CE 3.47Å; Q487-M523 HydrophobicContact CG-CE 4.11Å; Y507-M523 PolarHBondContact O-N 2.88Å; L509-M523 HydrophobicContact CD1-CB 4.48Å; L509-M523 HydrophobicContact CD1-CG 4.33Å; L509-M523 HydrophobicContact CD2-CE 3.74Å; L509-M523 HydrophobicContact CG-CB 4.17Å; L509-M523 HydrophobicContact CG-CE 4.32Å; L509-M523 HydrophobicContact CG-CG 4.38Å; V521-M523 PolarHBondContact O-N 2.69Å; M523-F526 PolarHBondContact O-N 3.49Å; M523-L527 HydrophobicContact CG-CD1 3.71Å; M523-L527 HydrophobicContact CG-CG 4.27Å; M523-L527 VanDerWaalsContact O-CG 3.26Å; M523-L527 WeakPolarHBondContact O-CG 3.29Å; M523-L527 PolarHBondContact O-N 3.47Å; M523-L527 HydrophobicContact SD-CD1 4.36Å; M523-V867 HydrophobicContact CE-CG1 4.42Å; M523-V867 HydrophobicContact SD-CB 3.79Å; M523-V867 HydrophobicContact SD-CG1 3.97Å; M523-F964 HydrophobicContact SD-CE1 4.29Å; M523-F964 HydrophobicContact SD-CZ 4.19Å |
| 524 | V | 81.9 | Confident | 79.4 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.048 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | R522 F526 L527 K528 T960 T963 F964 | R522-V524 PolarHBondContact O-N 2.73Å; R522-V524 VanDerWaalsContact O-N 3.15Å; V524-F526 VanDerWaalsContact C-N 3.35Å; V524-L527 PolarHBondContact O-N 3.06Å; V524-K528 WeakPolarHBondContact O-CB 3.29Å; V524-K528 PolarHBondContact O-N 3.41Å; V524-T960 HydrophobicContact CG2-CG2 3.84Å; V524-T963 VanDerWaalsContact CG1-CB 3.46Å; V524-T963 HydrophobicContact CG1-CG2 3.28Å; V524-F964 HydrophobicContact CG2-CD1 4.4Å; V524-F964 HydrophobicContact CG2-CE1 3.95Å; V524-F964 HydrophobicContact CG2-CE2 4.21Å; V524-F964 HydrophobicContact CG2-CZ 3.85Å |
| 525 | D | 78.2 | Confident | 77.4 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.9 | -36.3 | -178.1 | -55.7 | -29.1 | 0 | 0 | 0 | 111.1 | V521 R522 T529 L553 S554 | V521-D525 HydrophobicContact CG1-CB 4.33Å; R522-D525 IonicContact CZ-OD1 3.7Å; R522-D525 IonicContact CZ-OD2 3.45Å; R522-D525 VanDerWaalsContact CZ-OD2 3.27Å; R522-D525 IonicContact NE-OD1 2.73Å; R522-D525 IonicContact NE-OD2 3.39Å; R522-D525 PolarHBondContact NE-OD2 3.24Å; R522-D525 VanDerWaalsContact NH2-CG 3.27Å; R522-D525 IonicContact NH2-OD1 3.44Å; R522-D525 PolarHBondContact NH2-OD1 3.42Å; R522-D525 IonicContact NH2-OD2 2.71Å; R522-D525 PolarHBondContact NH2-OD2 3.19Å; R522-D525 PolarHBondContact O-N 2.91Å; R522-D525 VanDerWaalsContact O-N 3.1Å; D525-T529 PolarHBondContact O-N 2.94Å; D525-T529 PolarHBondContact O-OG1 2.86Å; D525-L553 HydrophobicContact CB-CD2 3.64Å; D525-L553 HydrophobicContact CB-CG 4.07Å; D525-S554 PolarHBondContact OD2-OG 2.84Å |
| 526 | F | 84.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.9 | -172.7 | -104.2 | 0 | 0 | 0 | 111.4 | I427 F430 L431 L509 F511 R522 M523 V524 T529 I530 F903 | I427-F526 HydrophobicContact CG2-CE2 3.79Å; I427-F526 HydrophobicContact CG2-CZ 3.75Å; F430-F526 HydrophobicContact CD1-CE2 4.48Å; F430-F526 HydrophobicContact CE1-CD2 4Å; F430-F526 HydrophobicContact CE1-CE2 4.26Å; L431-F526 HydrophobicContact CD1-CE2 4.48Å; L431-F526 HydrophobicContact CD2-CD2 4.12Å; L431-F526 HydrophobicContact CD2-CE2 4.05Å; L431-F526 HydrophobicContact CG-CE2 4.36Å; L509-F526 HydrophobicContact CD1-CB 4.45Å; L509-F526 HydrophobicContact CD1-CD1 3.62Å; L509-F526 HydrophobicContact CD1-CE1 4.07Å; L509-F526 HydrophobicContact CD1-CG 4.13Å; F511-F526 HydrophobicContact CE1-CE1 4.17Å; F511-F526 AromaticContact CE1-CE2 3.75Å; F511-F526 HydrophobicContact CE1-CE2 3.75Å; F511-F526 AromaticContact CE1-CZ 3.52Å; F511-F526 HydrophobicContact CE1-CZ 3.52Å; F511-F526 HydrophobicContact CE2-CD2 4.04Å; F511-F526 AromaticContact CE2-CE2 3.96Å; F511-F526 HydrophobicContact CE2-CE2 3.96Å; F511-F526 HydrophobicContact CE2-CZ 4.4Å; F511-F526 HydrophobicContact CZ-CD1 4.11Å; F511-F526 AromaticContact CZ-CD2 3.66Å; F511-F526 HydrophobicContact CZ-CD2 3.66Å; F511-F526 AromaticContact CZ-CE1 3.75Å; F511-F526 HydrophobicContact CZ-CE1 3.75Å; F511-F526 AromaticContact CZ-CE2 3.27Å; F511-F526 HydrophobicContact CZ-CE2 3.27Å; F511-F526 HydrophobicContact CZ-CG 4.07Å; F511-F526 AromaticContact CZ-CZ 3.31Å; F511-F526 HydrophobicContact CZ-CZ 3.31Å; R522-F526 PolarHBondContact O-N 3.29Å; M523-F526 PolarHBondContact O-N 3.49Å; V524-F526 VanDerWaalsContact C-N 3.35Å; F526-T529 PolarHBondContact O-N 2.9Å; F526-I530 HydrophobicContact CD1-CD1 3.65Å; F526-I530 HydrophobicContact CE1-CD1 3.2Å; F526-I530 HydrophobicContact CE1-CG1 4.48Å; F526-I530 HydrophobicContact CE2-CD1 4.18Å; F526-I530 HydrophobicContact CG-CD1 4.32Å; F526-I530 HydrophobicContact CZ-CD1 3.5Å; F526-I530 PolarHBondContact O-N 3.44Å; F526-F903 HydrophobicContact CD1-CZ 4.09Å; F526-F903 HydrophobicContact CE1-CE2 4.48Å; F526-F903 AromaticContact CE1-CZ 3.89Å; F526-F903 HydrophobicContact CE1-CZ 3.89Å |
| 527 | L | 83.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.3 | -66.6 | 166.1 | 0 | 0 | 0 | 111.9 | M523 V524 T529 I530 Y531 F903 W905 F964 I967 | M523-L527 HydrophobicContact CG-CD1 3.71Å; M523-L527 HydrophobicContact CG-CG 4.27Å; M523-L527 VanDerWaalsContact O-CG 3.26Å; M523-L527 WeakPolarHBondContact O-CG 3.29Å; M523-L527 PolarHBondContact O-N 3.47Å; M523-L527 HydrophobicContact SD-CD1 4.36Å; V524-L527 PolarHBondContact O-N 3.06Å; L527-T529 PolarHBondContact O-N 2.74Å; L527-I530 PolarHBondContact O-N 3.07Å; L527-Y531 HydrophobicContact CB-CD2 4.4Å; L527-Y531 HydrophobicContact CD2-CD2 4.45Å; L527-Y531 HydrophobicContact CD2-CE2 3.79Å; L527-Y531 VanDerWaalsContact O-CD2 3.27Å; L527-Y531 WeakPolarHBondContact O-CD2 3.31Å; L527-Y531 PolarHBondContact O-N 3.26Å; L527-F903 HydrophobicContact CD2-CD1 3.86Å; L527-F903 HydrophobicContact CD2-CD2 3.84Å; L527-F903 HydrophobicContact CD2-CE1 3.88Å; L527-F903 HydrophobicContact CD2-CE2 3.86Å; L527-F903 HydrophobicContact CD2-CG 3.83Å; L527-F903 HydrophobicContact CD2-CZ 3.88Å; L527-W905 HydrophobicContact CD1-CZ2 4.18Å; L527-F964 HydrophobicContact CD1-CD1 4.43Å; L527-F964 HydrophobicContact CD1-CE1 3.93Å; L527-I967 HydrophobicContact CB-CD1 3.79Å |
| 528 | K | 77.5 | Confident | 70.1 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52 | -44.9 | 173.6 | -98.2 | -175.8 | 155.1 | 143 | 0 | 111.3 | V524 W532 T963 I967 | V524-K528 WeakPolarHBondContact O-CB 3.29Å; V524-K528 PolarHBondContact O-N 3.41Å; K528-W532 HydrophobicContact CD-CZ3 4.09Å; K528-W532 HydrophobicContact CG-CE3 3.96Å; K528-W532 HydrophobicContact CG-CH2 4.29Å; K528-W532 HydrophobicContact CG-CZ3 3.78Å; K528-W532 WeakPolarHBondContact O-CB 3.28Å; K528-W532 PolarHBondContact O-N 3.06Å; K528-T963 HydrophobicContact CD-CG2 3.55Å; K528-T963 HydrophobicContact CG-CG2 3.7Å; K528-T963 PolarHBondContact NZ-OG1 2.72Å; K528-I967 HydrophobicContact CG-CD1 4.28Å; K528-I967 HydrophobicContact CG-CG1 4.49Å |
| 529 | T | 75.2 | Confident | 67.3 | Low | 30 Ų | 30 | 52.2 Ų | 52.2 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.1 | -38.8 | -174.5 | -42 | 0 | 0 | 0 | 0 | 113 | F430 D525 F526 L527 Y531 H533 | F430-T529 HydrophobicContact CD2-CG2 3.94Å; F430-T529 HydrophobicContact CE1-CG2 4.3Å; F430-T529 HydrophobicContact CE2-CG2 3.21Å; F430-T529 HydrophobicContact CZ-CG2 3.41Å; F430-T529 VanDerWaalsContact CZ-CG2 3.41Å; D525-T529 PolarHBondContact O-N 2.94Å; D525-T529 PolarHBondContact O-OG1 2.86Å; F526-T529 PolarHBondContact O-N 2.9Å; L527-T529 PolarHBondContact O-N 2.74Å; T529-Y531 VanDerWaalsContact C-N 3.35Å; T529-Y531 PolarHBondContact O-N 3.42Å; T529-H533 WeakPolarHBondContact O-CA 3.39Å; T529-H533 VanDerWaalsContact O-CB 3.24Å; T529-H533 WeakPolarHBondContact O-CB 3.24Å; T529-H533 PolarHBondContact O-CD2 3.25Å; T529-H533 PolarHBondContact O-N 3.11Å |
| 530 | I | 75.2 | Confident | 64.7 | Low | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 173.2 | -79.3 | 169.4 | 0 | 0 | 0 | 111.2 | T14 F526 L527 | T14-I530 HydrophobicContact CG2-CD1 4.13Å; T14-I530 HydrophobicContact CG2-CG1 4.44Å; T14-I530 HydrophobicContact CG2-CG2 3.67Å; F526-I530 HydrophobicContact CD1-CD1 3.65Å; F526-I530 HydrophobicContact CE1-CD1 3.2Å; F526-I530 HydrophobicContact CE1-CG1 4.48Å; F526-I530 HydrophobicContact CE2-CD1 4.18Å; F526-I530 HydrophobicContact CG-CD1 4.32Å; F526-I530 HydrophobicContact CZ-CD1 3.5Å; F526-I530 PolarHBondContact O-N 3.44Å; L527-I530 PolarHBondContact O-N 3.07Å |
| 531 | Y | 74.8 | Confident | 62.2 | Low | 16 Ų | 16 | 66.4 Ų | 66.4 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -86.3 | -33 | -171.2 | -68.2 | -58.4 | 0 | 0 | 0 | 113.5 | L527 T529 I967 L971 H1014 | L527-Y531 HydrophobicContact CB-CD2 4.4Å; L527-Y531 HydrophobicContact CD2-CD2 4.45Å; L527-Y531 HydrophobicContact CD2-CE2 3.79Å; L527-Y531 VanDerWaalsContact O-CD2 3.27Å; L527-Y531 WeakPolarHBondContact O-CD2 3.31Å; L527-Y531 PolarHBondContact O-N 3.26Å; T529-Y531 VanDerWaalsContact C-N 3.35Å; T529-Y531 PolarHBondContact O-N 3.42Å; Y531-I967 HydrophobicContact CD2-CG2 4.1Å; Y531-L971 HydrophobicContact CD1-CD2 3.79Å; Y531-L971 HydrophobicContact CD2-CD1 4.38Å; Y531-L971 HydrophobicContact CE1-CD2 3.88Å; Y531-L971 HydrophobicContact CE2-CD1 4.1Å; Y531-L971 HydrophobicContact CG-CD2 4.17Å; Y531-H1014 PolarHBondContact O-ND1 3.18Å |
| 532 | W | 69.8 | Low | 59.8 | Low | 44 Ų | 44 | 73.9 Ų | 73.9 | 17% | 0.167 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -114 | 23.4 | -175.2 | -49.3 | -25.3 | 0 | 0 | 0 | 113.9 | K528 H534 Q966 I967 S970 C989 H1014 | K528-W532 HydrophobicContact CD-CZ3 4.09Å; K528-W532 HydrophobicContact CG-CE3 3.96Å; K528-W532 HydrophobicContact CG-CH2 4.29Å; K528-W532 HydrophobicContact CG-CZ3 3.78Å; K528-W532 WeakPolarHBondContact O-CB 3.28Å; K528-W532 PolarHBondContact O-N 3.06Å; W532-H534 PolarHBondContact O-N 3.15Å; W532-H534 PolarHBondContact O-ND1 2.97Å; W532-Q966 HydrophobicContact CH2-CB 3.6Å; W532-Q966 HydrophobicContact CZ2-CB 3.99Å; W532-I967 HydrophobicContact CH2-CG1 4.24Å; W532-I967 HydrophobicContact CZ2-CB 4.48Å; W532-I967 HydrophobicContact CZ2-CG1 3.86Å; W532-S970 PolarHBondContact NE1-OG 2.94Å; W532-C989 HydrophobicContact CH2-CB 4.35Å; W532-C989 WeakPolarHBondContact CH2-O 3.18Å; W532-C989 HydrophobicContact CZ2-CB 4.09Å; W532-C989 VanDerWaalsContact CZ3-O 3.24Å; W532-C989 WeakPolarHBondContact CZ3-O 3.39Å; W532-H1014 AromaticContact CD1-CE1 3.87Å |
| 533 | H | 61 | Low | 57.4 | Low | 96 Ų | 96 | 77.6 Ų | 77.6 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | trans | -45 | 120.9 | -172.4 | -141.3 | -64.5 | 0 | 0 | 0 | 112.5 | F430 T529 | F430-H533 AromaticContact CD2-NE2 3.86Å; T529-H533 WeakPolarHBondContact O-CA 3.39Å; T529-H533 VanDerWaalsContact O-CB 3.24Å; T529-H533 WeakPolarHBondContact O-CB 3.24Å; T529-H533 PolarHBondContact O-CD2 3.25Å; T529-H533 PolarHBondContact O-N 3.11Å | ||
| 534 | H | 47.9 | Very low | 54.8 | Low | 106 Ų | 106 | 86.2 Ų | 86.2 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | trans | -91.5 | 113.3 | 173.1 | -72.5 | 6.8 | 0 | 0 | 0 | 108.8 | W532 | W532-H534 PolarHBondContact O-N 3.15Å; W532-H534 PolarHBondContact O-ND1 2.97Å | ||
| 535 | D | 42 | Very low | 52.3 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | trans | -64.9 | 131.7 | 162.8 | -49.7 | 43.1 | 0 | 0 | 0 | 108.5 | K1015 | D535-K1015 IonicContact OD1-NZ 2.66Å; D535-K1015 PolarHBondContact OD1-NZ 2.98Å; D535-K1015 IonicContact OD2-NZ 3.37Å; D535-K1015 PolarHBondContact OD2-NZ 2.92Å | ||
| 536 | H | 36.2 | Very low | 50 | Low | 120 Ų | 120 | 99.3 Ų | 99.3 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | trans | -69 | 135.1 | 145.5 | -89.6 | -102.4 | 0 | 0 | 0 | 107.5 | D538 H550 | H536-D538 PolarHBondContact O-N 2.93Å; H536-H550 AromaticContact NE2-CE1 3.6Å | ||
| 537 | P | 38.4 | Very low | 47.2 | Very low | 106 Ų | 106 | 106.7 Ų | 106.7 | 69% | 0.688 | 55% | 0.55 | S | S | * | . | trans | -72.1 | 99.5 | 169 | 29.6 | -31.6 | 0 | 0 | 0 | 108.5 | N539 | P537-N539 PolarHBondContact O-N 3.4Š| ||
| 538 | D | 31.9 | Very low | 44.5 | Very low | 147 Ų | 147 | 114.1 Ų | 114.1 | 79% | 0.786 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -66.5 | 80.2 | 166.7 | -71 | -34.1 | 0 | 0 | 0 | 109.2 | H536 | H536-D538 PolarHBondContact O-N 2.93Š|
| 539 | N | 30.4 | Very low | 42.4 | Very low | 164 Ų | 164 | 119 Ų | 119 | 88% | 0.877 | 61% | 0.607 | S | S | * | * | trans | 170 | 81.9 | 154.2 | -92.5 | -55.9 | 0 | 0 | 0 | 111.8 | P537 | P537-N539 PolarHBondContact O-N 3.4Š| ||
| 540 | S | 33.4 | Very low | 40.5 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -158.9 | 113.7 | 154 | 59.3 | 0 | 0 | 0 | 0 | 111 | D542 | S540-D542 PolarHBondContact O-N 3.48Š| ||
| 541 | Q | 34.9 | Very low | 38.9 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | trans | -78.5 | 98.4 | 167 | -73.5 | -178.2 | -26.1 | 0 | 0 | 109.2 | ||||
| 542 | D | 32.8 | Very low | 37.5 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | trans | -154.6 | 83.5 | 167.4 | -102.2 | -39.3 | 0 | 0 | 0 | 110.3 | S540 Q544 | S540-D542 PolarHBondContact O-N 3.48Å; D542-Q544 PolarHBondContact O-N 3.37Å | ||
| 543 | D | 30.9 | Very low | 36.6 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -75.7 | 101.7 | 176.4 | -77.8 | -56.3 | 0 | 0 | 0 | 111.7 | ||||
| 544 | Q | 30.9 | Very low | 36.5 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | trans | -169.1 | 33.4 | 154.3 | -114.3 | 153.1 | 105.5 | 0 | 0 | 120.1 | D542 | D542-Q544 PolarHBondContact O-N 3.37Š| ||
| 545 | F | 28.4 | Very low | 37.6 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | trans | -136.6 | 137.5 | 165.8 | -79.4 | -76.4 | 0 | 0 | 0 | 114 | M547 | F545-M547 PolarHBondContact O-N 3.08Å; F545-M547 VanDerWaalsContact O-N 3.16Å | ||
| 546 | P | 30.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | trans | -77.5 | 102.3 | -178.3 | 30.8 | -33.7 | 0 | 0 | 0 | 111.4 | Q548 | P546-Q548 PolarHBondContact O-N 3.34Š| ||
| 547 | M | 26.7 | Very low | 41.6 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | trans | -67 | 100.3 | 173 | -80.2 | -71.5 | 154.2 | 0 | 0 | 111.4 | F545 | F545-M547 PolarHBondContact O-N 3.08Å; F545-M547 VanDerWaalsContact O-N 3.16Å | ||
| 548 | Q | 27.2 | Very low | 43.9 | Very low | 157 Ų | 157 | 118.6 Ų | 118.6 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -97.3 | 150 | 164.9 | -68.3 | -172.5 | -22 | 0 | 0 | 110.1 | P546 | P546-Q548 PolarHBondContact O-N 3.34Š| ||
| 549 | H | 32.4 | Very low | 46.3 | Very low | 153 Ų | 153 | 116.3 Ų | 116.3 | 71% | 0.708 | 59% | 0.594 | S | S | * | * | trans | 68.1 | 54.8 | -179.9 | -52.5 | -75.6 | 0 | 0 | 0 | 116.8 | N551 | H549-N551 PolarHBondContact O-N 3.41Š| ||
| 550 | H | 36.4 | Very low | 48.7 | Very low | 132 Ų | 132 | 110.1 Ų | 110.1 | 61% | 0.611 | 57% | 0.568 | S | S | * | * | trans | -58 | 127.3 | 140.5 | -74.1 | -68.7 | 0 | 0 | 0 | 108.5 | H536 Q552 | H536-H550 AromaticContact NE2-CE1 3.6Å; H550-Q552 VanDerWaalsContact C-N 3.28Å; H550-Q552 PolarHBondContact O-N 3.01Å | ||
| 551 | N | 40.9 | Very low | 51.3 | Low | 158 Ų | 158 | 105.8 Ų | 105.8 | 85% | 0.845 | 54% | 0.537 | S | S | * | . | trans | -68.7 | 88 | 168 | -86.5 | -30.2 | 0 | 0 | 0 | 109.1 | H549 L553 | H549-N551 PolarHBondContact O-N 3.41Å; N551-L553 PolarHBondContact O-N 2.97Å | ||
| 552 | Q | 45.7 | Very low | 53.8 | Low | 165 Ų | 165 | 102.8 Ų | 102.8 | 77% | 0.771 | 53% | 0.526 | S | S | * | . | trans | -59.7 | 109.1 | 166.4 | -75.8 | -176.5 | -48.1 | 0 | 0 | 108.3 | H550 S554 | H550-Q552 VanDerWaalsContact C-N 3.28Å; H550-Q552 PolarHBondContact O-N 3.01Å; Q552-S554 PolarHBondContact O-N 2.83Å | ||
| 553 | L | 50.9 | Low | 56.2 | Low | 30 Ų | 30 | 96.6 Ų | 96.6 | 16% | 0.157 | 50% | 0.499 | C | S | . | . | trans | -51.2 | 137.5 | 161.7 | -76.7 | 100.6 | 0 | 0 | 0 | 108.3 | F430 V521 D525 N551 K555 | F430-L553 HydrophobicContact CE1-CD2 4.45Å; F430-L553 HydrophobicContact CE2-CD1 3.83Å; F430-L553 HydrophobicContact CE2-CD2 4.45Å; F430-L553 HydrophobicContact CZ-CD1 3.83Å; F430-L553 HydrophobicContact CZ-CD2 3.63Å; F430-L553 HydrophobicContact CZ-CG 4.41Å; V521-L553 HydrophobicContact CG1-CD2 3.85Å; D525-L553 HydrophobicContact CB-CD2 3.64Å; D525-L553 HydrophobicContact CB-CG 4.07Å; N551-L553 PolarHBondContact O-N 2.97Å; L553-K555 HydrophobicContact CB-CD 4.29Å; L553-K555 HydrophobicContact CB-CG 3.78Å; L553-K555 PolarHBondContact O-N 3.02Å | ||
| 554 | S | 58.6 | Low | 58.8 | Low | 31 Ų | 31 | 90.2 Ų | 90.2 | 22% | 0.217 | 47% | 0.466 | C | S | . | . | trans | -75 | 67.9 | 174.3 | 67.2 | 0 | 0 | 0 | 0 | 110 | R522 D525 Q552 | R522-S554 PolarHBondContact NE-OG 3.48Å; D525-S554 PolarHBondContact OD2-OG 2.84Å; Q552-S554 PolarHBondContact O-N 2.83Å | ||
| 555 | K | 71.7 | Confident | 61.5 | Low | 38 Ų | 38 | 81.7 Ų | 81.7 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | trans | -79 | 138.9 | 175.1 | -63.7 | 171.8 | 177 | -174.1 | 0 | 108.8 | F430 L431 S433 S434 I519 I520 V521 L553 | F430-K555 PolarHBondContact O-NZ 2.96Å; L431-K555 VanDerWaalsContact C-NZ 3.31Å; L431-K555 WeakPolarHBondContact O-CD 3.21Å; L431-K555 VanDerWaalsContact O-CE 3.3Å; L431-K555 WeakPolarHBondContact O-CE 3.29Å; L431-K555 PolarHBondContact O-NZ 2.91Å; S433-K555 PolarHBondContact O-NZ 2.81Å; S434-K555 PolarHBondContact OG-NZ 3.28Å; S434-K555 VanDerWaalsContact OG-NZ 3.11Å; I519-K555 HydrophobicContact CG2-CB 4.33Å; I520-K555 WeakPolarHBondContact O-CA 3.3Å; V521-K555 HydrophobicContact CG2-CG 4.22Å; L553-K555 HydrophobicContact CB-CD 4.29Å; L553-K555 HydrophobicContact CB-CG 3.78Å; L553-K555 PolarHBondContact O-N 3.02Å | ||
| 556 | F | 78 | Confident | 64 | Low | 29 Ų | 29 | 72.7 Ų | 72.7 | 13% | 0.127 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.9 | 176.5 | -177.3 | -103.7 | 0 | 0 | 0 | 109.4 | I519 I520 L558 S633 W634 L658 | I519-F556 CarbonylContact C-O 3.52Å; I519-F556 WeakPolarHBondContact CA-O 3.43Å; I520-F556 HydrophobicContact CB-CB 4.42Å; I520-F556 HydrophobicContact CD1-CD1 4.46Å; I520-F556 PolarHBondContact N-O 2.84Å; I520-F556 PolarHBondContact O-N 3.03Å; F556-L558 HydrophobicContact CD1-CD2 4.3Å; F556-L558 HydrophobicContact CE1-CD2 3.65Å; F556-L558 HydrophobicContact CE1-CG 4.37Å; F556-L558 HydrophobicContact CZ-CD2 4.5Å; F556-S633 VanDerWaalsContact CZ-OG 3.3Å; F556-S633 WeakPolarHBondContact CZ-OG 3.08Å; F556-W634 VanDerWaalsContact CB-CD1 3.41Å; F556-W634 HydrophobicContact CD1-CB 4.47Å; F556-W634 AromaticContact CD1-CD1 3.94Å; F556-W634 HydrophobicContact CE1-CB 4.45Å; F556-W634 AromaticContact CG-CD1 3.56Å; F556-W634 HydrophobicContact CG-CG 4.49Å; F556-L658 HydrophobicContact CE1-CD1 3.94Å; F556-L658 HydrophobicContact CE2-CD1 4.46Å; F556-L658 HydrophobicContact CZ-CD1 3.52Å |
| 557 | C | 83.1 | Confident | 66.5 | Low | 34 Ų | 34 | 67.2 Ų | 67.2 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 109.9 | -167.4 | -161.5 | 0 | 0 | 0 | 0 | 110.9 | N559 | C557-N559 PolarHBondContact SG-OD1 3Å |
| 558 | L | 86 | Confident | 69.4 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.9 | 167.5 | -55.6 | 173 | 0 | 0 | 0 | 108.2 | I518 I520 F556 L617 W629 L658 | I518-L558 HydrophobicContact CB-CB 4.14Å; I518-L558 HydrophobicContact CB-CD1 4.37Å; I518-L558 HydrophobicContact CG2-CD1 4.49Å; I518-L558 PolarHBondContact N-O 2.77Å; I518-L558 PolarHBondContact O-N 3.06Å; I520-L558 HydrophobicContact CD1-CD1 4.12Å; F556-L558 HydrophobicContact CD1-CD2 4.3Å; F556-L558 HydrophobicContact CE1-CD2 3.65Å; F556-L558 HydrophobicContact CE1-CG 4.37Å; F556-L558 HydrophobicContact CZ-CD2 4.5Å; L558-L617 HydrophobicContact CD1-CD2 4.05Å; L558-W629 HydrophobicContact CB-CD2 4.32Å; L558-W629 HydrophobicContact CB-CE3 3.95Å; L558-W629 HydrophobicContact CB-CH2 4.3Å; L558-W629 HydrophobicContact CB-CZ3 3.94Å; L558-W629 HydrophobicContact CD1-CB 4Å; L558-W629 HydrophobicContact CD1-CD2 3.92Å; L558-W629 HydrophobicContact CD1-CE3 4.16Å; L558-W629 HydrophobicContact CD1-CG 3.86Å; L558-W629 HydrophobicContact CD2-CE3 3.97Å; L558-W629 HydrophobicContact CG-CD2 4.5Å; L558-W629 HydrophobicContact CG-CE3 4.26Å; L558-L658 HydrophobicContact CD2-CB 3.88Å; L558-L658 HydrophobicContact CD2-CD1 3.56Å; L558-L658 HydrophobicContact CD2-CG 4.38Å |
| 559 | N | 83.9 | Confident | 72.2 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.2 | 177.5 | -63 | -32.9 | 0 | 0 | 0 | 109.3 | R517 C557 | R517-N559 WeakPolarHBondContact CG-OD1 3.21Å; C557-N559 PolarHBondContact SG-OD1 3Å |
| 560 | G | 81 | Confident | 74.6 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | trans | 167.2 | -27.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | R627 | G560-R627 VanDerWaalsContact C-NH1 3.3Å; G560-R627 PolarHBondContact O-NH1 3.39Å; G560-R627 PolarHBondContact O-NH2 2.9Å | ||
| 561 | H | 87.4 | Confident | 76.5 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | trans | -67.9 | 148.3 | 172.1 | -82 | -71.1 | 0 | 0 | 0 | 110.7 | G516 V565 S619 G621 D623 T625 R627 | G516-H561 PolarHBondContact O-N 3.4Å; H561-V565 HydrophobicContact CB-CG2 4.36Å; H561-S619 PolarHBondContact CD2-OG 3.06Å; H561-S619 PolarHBondContact NE2-OG 3.5Å; H561-G621 PolarHBondContact CE1-N 3.11Å; H561-D623 WeakPolarHBondContact CA-OD2 3.14Å; H561-D623 IonicContact CE1-OD1 3.52Å; H561-D623 IonicContact CG-OD2 2.69Å; H561-D623 VanDerWaalsContact ND1-CG 3.33Å; H561-D623 IonicContact ND1-OD1 3.27Å; H561-D623 PolarHBondContact ND1-OD1 3Å; H561-D623 IonicContact ND1-OD2 2.89Å; H561-D623 PolarHBondContact ND1-OD2 3.11Å; H561-D623 VanDerWaalsContact ND1-OD2 3.08Å; H561-T625 PolarHBondContact CE1-OG1 3.29Å; H561-T625 VanDerWaalsContact CE1-OG1 3.23Å; H561-T625 PolarHBondContact ND1-OG1 3.06Å; H561-R627 PolarHBondContact ND1-NE 3.13Å | ||
| 562 | I | 86.6 | Confident | 78 | Confident | 134 Ų | 134 | 31.7 Ų | 31.7 | 69% | 0.687 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -104.3 | 107.1 | 176.2 | -56.1 | 176.1 | 0 | 0 | 0 | 108 | D623 | I562-D623 HydrophobicContact CB-CB 4.09Å; I562-D623 PolarHBondContact N-OD2 3.4Å; I562-D623 VanDerWaalsContact N-OD2 3.12Å |
| 563 | G | 84.1 | Confident | 78.9 | Confident | 27 Ų | 27 | 24.2 Ų | 24.2 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 78.1 | -171.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.5 | S514 G516 | S514-G563 CarbonylContact O-C 3.59Å; G516-G563 WeakPolarHBondContact CA-O 3.25Å; G516-G563 PolarHBondContact N-O 2.99Å |
| 564 | P | 85.8 | Confident | 79.2 | Confident | 23 Ų | 23 | 23.8 Ų | 23.8 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | trans | -49.9 | 135.7 | -166.3 | -32.6 | 35.8 | 0 | 0 | 0 | 116 | T483 S514 G621 M622 W894 | T483-P564 HydrophobicContact CG2-CB 4.28Å; S514-P564 VanDerWaalsContact O-CD 3.28Å; S514-P564 WeakPolarHBondContact O-CD 3.43Å; S514-P564 WeakPolarHBondContact O-CG 3.31Å; P564-G621 WeakPolarHBondContact O-CA 3.18Å; P564-M622 HydrophobicContact CB-CB 4.15Å; P564-M622 HydrophobicContact CG-CB 4.39Å; P564-M622 WeakPolarHBondContact O-CB 3.37Å; P564-M622 PolarHBondContact O-N 2.94Å; P564-W894 HydrophobicContact CG-CB 4.32Å | ||
| 565 | V | 86.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 116.6 | 166.6 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | T483 V484 L513 I518 H561 L568 G620 | T483-V565 VanDerWaalsContact CB-O 3.29Å; T483-V565 WeakPolarHBondContact CB-O 3.22Å; T483-V565 PolarHBondContact OG1-O 3.13Å; V484-V565 HydrophobicContact CG1-CB 4.29Å; V484-V565 HydrophobicContact CG1-CG1 3.94Å; V484-V565 WeakPolarHBondContact CG1-O 3.3Å; L513-V565 PolarHBondContact O-N 2.82Å; I518-V565 HydrophobicContact CD1-CG1 4.36Å; I518-V565 HydrophobicContact CG1-CG1 4.14Å; I518-V565 HydrophobicContact CG1-CG2 3.9Å; H561-V565 HydrophobicContact CB-CG2 4.36Å; V565-L568 HydrophobicContact CG1-CD2 4.12Å; V565-G620 WeakPolarHBondContact CG1-O 3.44Å |
| 566 | T | 82.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -17.7 | -168.4 | 46.5 | 0 | 0 | 0 | 0 | 114 | G620 G621 M622 C670 L790 | T566-G620 PolarHBondContact N-O 2.83Å; T566-G620 PolarHBondContact OG1-O 3.33Å; T566-G621 WeakPolarHBondContact OG1-CA 3.42Å; T566-G621 PolarHBondContact OG1-N 3.1Å; T566-M622 HydrophobicContact CG2-CB 4.49Å; T566-C670 VanDerWaalsContact CB-O 3.28Å; T566-C670 WeakPolarHBondContact CB-O 3.4Å; T566-C670 PolarHBondContact OG1-O 2.98Å; T566-L790 HydrophobicContact CG2-CD2 4.14Å |
| 567 | S | 83 | Confident | 76.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 154.2 | 173.7 | 57.2 | 0 | 0 | 0 | 0 | 112 | S619 G620 | S567-S619 CarbonylContact O-C 3.58Å; S567-S619 VanDerWaalsContact O-CA 3.26Å; S567-S619 WeakPolarHBondContact O-CA 3.46Å; S567-G620 PolarHBondContact N-O 2.76Å; S567-G620 PolarHBondContact O-N 3.01Å; S567-G620 WeakPolarHBondContact OG-CA 3.28Å; S567-G620 PolarHBondContact OG-N 3.1Å |
| 568 | L | 86.1 | Confident | 74 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.5 | 170.9 | -68.8 | 173.7 | 0 | 0 | 0 | 109.3 | V484 I486 A510 I518 V565 L618 T793 | V484-L568 HydrophobicContact CG1-CD1 3.95Å; V484-L568 HydrophobicContact CG1-CG 3.74Å; V484-L568 HydrophobicContact CG2-CB 4.28Å; V484-L568 HydrophobicContact CG2-CD1 4.39Å; V484-L568 HydrophobicContact CG2-CG 4.19Å; I486-L568 HydrophobicContact CB-CB 4.35Å; I486-L568 HydrophobicContact CG2-CB 3.8Å; I486-L568 HydrophobicContact CG2-CD1 3.92Å; I486-L568 HydrophobicContact CG2-CG 4.49Å; A510-L568 HydrophobicContact CB-CD1 4.23Å; I518-L568 HydrophobicContact CD1-CD2 3.87Å; I518-L568 HydrophobicContact CG1-CD2 4.27Å; I518-L568 HydrophobicContact CG2-CD1 4.42Å; I518-L568 HydrophobicContact CG2-CD2 4.1Å; V565-L568 HydrophobicContact CG1-CD2 4.12Å; L568-L618 CarbonylContact C-O 3.43Å; L568-L618 WeakPolarHBondContact CA-O 3.48Å; L568-T793 WeakPolarHBondContact O-CB 3.31Å; L568-T793 WeakPolarHBondContact O-CG2 3.38Å; L568-T793 PolarHBondContact O-OG1 2.99Å |
| 569 | L | 85.5 | Confident | 71.6 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 129.7 | 172.2 | 173.3 | 67.5 | 0 | 0 | 0 | 109.9 | P571 L618 L673 I675 I696 | L569-P571 HydrophobicContact CD2-CG 4.3Å; L569-P571 HydrophobicContact CG-CG 4.16Å; L569-P571 WeakPolarHBondContact O-CD 3.49Å; L569-L618 HydrophobicContact CB-CB 4.18Å; L569-L618 HydrophobicContact CD2-CD1 4.08Å; L569-L618 PolarHBondContact N-O 2.94Å; L569-L618 WeakPolarHBondContact O-CB 3.49Å; L569-L618 PolarHBondContact O-N 3.41Å; L569-L673 HydrophobicContact CB-CB 3.74Å; L569-L673 HydrophobicContact CB-CD1 4.13Å; L569-L673 HydrophobicContact CD2-CB 4.04Å; L569-L673 HydrophobicContact CG-CB 4.49Å; L569-I675 HydrophobicContact CD1-CG1 4.21Å; L569-I675 HydrophobicContact CD2-CG1 4.21Å; L569-I696 HydrophobicContact CD2-CB 4.23Å; L569-I696 HydrophobicContact CD2-CG2 4.01Å |
| 570 | H | 84.3 | Confident | 69.1 | Low | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | trans | -114.3 | 90 | 173.8 | -173.4 | -114.1 | 0 | 0 | 0 | 108.7 | I486 L488 A572 S573 P614 F616 L617 | I486-H570 HydrophobicContact CD1-CB 4.19Å; L488-H570 HydrophobicContact CD2-CB 3.66Å; H570-A572 VanDerWaalsContact C-N 3.31Å; H570-A572 PolarHBondContact O-N 3.1Å; H570-S573 PolarHBondContact ND1-OG 3.23Å; H570-S573 PolarHBondContact O-N 3.4Å; H570-P614 PolarHBondContact NE2-O 3.34Å; H570-P614 VanDerWaalsContact NE2-O 3.11Å; H570-F616 PolarHBondContact CD2-O 3.43Å; H570-F616 VanDerWaalsContact CD2-O 3.26Å; H570-L617 HydrophobicContact CB-CD1 4.2Å | ||
| 571 | P | 76.8 | Confident | 66.8 | Low | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.1 | -40.6 | -161.6 | -27.2 | 36.1 | 0 | 0 | 0 | 113.6 | L569 S573 C574 F612 F616 L618 I675 I696 L710 | L569-P571 HydrophobicContact CD2-CG 4.3Å; L569-P571 HydrophobicContact CG-CG 4.16Å; L569-P571 WeakPolarHBondContact O-CD 3.49Å; P571-S573 PolarHBondContact O-N 2.97Å; P571-C574 PolarHBondContact O-N 2.76Å; P571-C574 VanDerWaalsContact O-N 3.12Å; P571-F612 HydrophobicContact CB-CB 3.87Å; P571-F612 HydrophobicContact CB-CD1 3.67Å; P571-F612 HydrophobicContact CB-CD2 3.88Å; P571-F612 HydrophobicContact CB-CE1 4.15Å; P571-F612 HydrophobicContact CB-CE2 4.33Å; P571-F612 HydrophobicContact CB-CG 3.52Å; P571-F612 HydrophobicContact CB-CZ 4.47Å; P571-F612 HydrophobicContact CG-CD1 4.44Å; P571-F616 WeakPolarHBondContact CD-O 3.42Å; P571-L618 HydrophobicContact CG-CD1 3.84Å; P571-I675 HydrophobicContact CB-CD1 3.95Å; P571-I675 HydrophobicContact CB-CG1 4.34Å; P571-I675 WeakPolarHBondContact O-CD1 3.41Å; P571-I696 HydrophobicContact CG-CG2 4.18Å; P571-L710 HydrophobicContact CG-CD1 4.07Å |
| 572 | A | 71.8 | Confident | 64.1 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -61.6 | -26.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | M491 H570 C574 E575 F612 | M491-A572 HydrophobicContact CE-CB 3.74Å; M491-A572 WeakPolarHBondContact CE-O 3.36Å; M491-A572 HydrophobicContact SD-CB 3.49Å; M491-A572 WeakPolarHBondContact SD-CB 3.47Å; H570-A572 VanDerWaalsContact C-N 3.31Å; H570-A572 PolarHBondContact O-N 3.1Å; A572-C574 VanDerWaalsContact C-N 3.27Å; A572-C574 PolarHBondContact O-N 3.25Å; A572-E575 WeakPolarHBondContact O-CB 3.24Å; A572-E575 PolarHBondContact O-N 3.13Å; A572-F612 HydrophobicContact CB-CB 4.07Å |
| 573 | S | 64.6 | Low | 61.3 | Low | 7 Ų | 7 | 45 Ų | 45 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -73.3 | -11.8 | 177.1 | -74.6 | 0 | 0 | 0 | 0 | 115.3 | N489 H570 P571 | N489-S573 WeakPolarHBondContact CB-OG 3.32Å; N489-S573 PolarHBondContact N-OG 2.8Å; N489-S573 VanDerWaalsContact N-OG 3.07Å; N489-S573 PolarHBondContact ND2-O 3.08Å; H570-S573 PolarHBondContact ND1-OG 3.23Å; H570-S573 PolarHBondContact O-N 3.4Å; P571-S573 PolarHBondContact O-N 2.97Å |
| 574 | C | 57.5 | Low | 58.9 | Low | 22 Ų | 22 | 47.8 Ų | 47.8 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -98 | -7.9 | 171.6 | -53 | 0 | 0 | 0 | 0 | 112.4 | P571 A572 I675 P798 | P571-C574 PolarHBondContact O-N 2.76Å; P571-C574 VanDerWaalsContact O-N 3.12Å; A572-C574 VanDerWaalsContact C-N 3.27Å; A572-C574 PolarHBondContact O-N 3.25Å; C574-I675 HydrophobicContact CB-CD1 3.59Å; C574-P798 WeakPolarHBondContact O-CD 3.48Å |
| 575 | E | 57.2 | Low | 56.3 | Low | 40 Ų | 40 | 51.5 Ų | 51.5 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | trans | -75.1 | 131.1 | 179.2 | -166.3 | -178 | 150.6 | 0 | 0 | 110.4 | A572 Y610 Q611 F612 | A572-E575 WeakPolarHBondContact O-CB 3.24Å; A572-E575 PolarHBondContact O-N 3.13Å; E575-Y610 WeakPolarHBondContact OE1-CA 3.41Å; E575-Q611 VanDerWaalsContact CD-N 3.33Å; E575-Q611 HydrophobicContact CG-CB 4.4Å; E575-Q611 WeakPolarHBondContact OE1-CB 3.45Å; E575-Q611 PolarHBondContact OE1-N 3.03Å; E575-Q611 WeakPolarHBondContact OE2-CB 3.48Å; E575-Q611 PolarHBondContact OE2-N 3.24Å; E575-Q611 VanDerWaalsContact OE2-N 3.16Å; E575-F612 PolarHBondContact OE2-N 3.16Å | ||
| 576 | R | 44.6 | Very low | 53.8 | Low | 86 Ų | 86 | 56.4 Ų | 56.4 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | trans | -92.5 | 129.5 | 169.1 | -119.8 | -175.7 | 173.8 | 125.1 | 8.5 | 108.3 | S578 P798 | R576-S578 PolarHBondContact O-N 2.82Å; R576-P798 PolarHBondContact NH1-O 2.6Å | ||
| 577 | Q | 43.7 | Very low | 51.4 | Low | 54 Ų | 54 | 59.2 Ų | 59.2 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | trans | -59.9 | 94.3 | 173.4 | -67.8 | -171.4 | 4.4 | 0 | 0 | 110.6 | Y579 N862 | Q577-Y579 HydrophobicContact CB-CE2 4.49Å; Q577-Y579 PolarHBondContact O-N 3.36Å; Q577-Y579 VanDerWaalsContact O-N 3.1Å; Q577-Y579 PolarHBondContact OE1-OH 2.82Å; Q577-N862 WeakPolarHBondContact CG-OD1 3.46Å; Q577-N862 PolarHBondContact OE1-ND2 2.99Å; Q577-N862 PolarHBondContact OE1-OD1 3.35Å | ||
| 578 | S | 35.6 | Very low | 48.9 | Very low | 104 Ų | 104 | 65.9 Ų | 65.9 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | trans | -82 | 83.1 | 174.4 | 58.4 | 0 | 0 | 0 | 0 | 109.2 | R576 S580 | R576-S578 PolarHBondContact O-N 2.82Å; S578-S580 PolarHBondContact O-N 3.09Å | ||
| 579 | Y | 35.8 | Very low | 46.1 | Very low | 108 Ų | 108 | 73.5 Ų | 73.5 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | trans | -58.7 | 106 | 168.7 | -69 | -66.5 | 0 | 0 | 0 | 109.6 | Q577 S581 T608 K858 T861 | Q577-Y579 HydrophobicContact CB-CE2 4.49Å; Q577-Y579 PolarHBondContact O-N 3.36Å; Q577-Y579 VanDerWaalsContact O-N 3.1Å; Q577-Y579 PolarHBondContact OE1-OH 2.82Å; Y579-S581 PolarHBondContact O-N 3.26Å; Y579-S581 VanDerWaalsContact O-N 3.16Å; Y579-T608 HydrophobicContact CE1-CG2 4.4Å; Y579-K858 HydrophobicContact CD2-CB 4.41Å; Y579-K858 HydrophobicContact CE2-CB 3.96Å; Y579-K858 WeakPolarHBondContact CE2-O 3.31Å; Y579-T861 PolarHBondContact OH-OG1 3.17Å | ||
| 580 | S | 31.1 | Very low | 43.6 | Very low | 94 Ų | 94 | 80.3 Ų | 80.3 | 66% | 0.657 | 44% | 0.443 | S | S | * | . | trans | -64.3 | 113 | 164.7 | 54.3 | 0 | 0 | 0 | 0 | 108.3 | S578 N582 | S578-S580 PolarHBondContact O-N 3.09Å; S580-N582 PolarHBondContact O-N 2.96Å | ||
| 581 | S | 33.3 | Very low | 41.1 | Very low | 89 Ų | 89 | 86.1 Ų | 86.1 | 62% | 0.622 | 47% | 0.474 | S | S | * | . | trans | -60.1 | 110 | 162.8 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | Y579 D583 | Y579-S581 PolarHBondContact O-N 3.26Å; Y579-S581 VanDerWaalsContact O-N 3.16Å; S581-D583 PolarHBondContact O-N 2.87Å | ||
| 582 | N | 30.8 | Very low | 39 | Very low | 129 Ų | 129 | 94.1 Ų | 94.1 | 69% | 0.69 | 52% | 0.517 | S | S | * | . | trans | -73.5 | 46.9 | 175.5 | -79.4 | -0.5 | 0 | 0 | 0 | 112.1 | S580 S584 | S580-N582 PolarHBondContact O-N 2.96Å; N582-S584 PolarHBondContact O-N 3.44Å | ||
| 583 | D | 28.4 | Very low | 37.1 | Very low | 150 Ų | 150 | 97.9 Ų | 97.9 | 80% | 0.802 | 56% | 0.555 | S | S | * | * | trans | -86.3 | 26.6 | 166.8 | -73.8 | -42.6 | 0 | 0 | 0 | 111.3 | S581 | S581-D583 PolarHBondContact O-N 2.87Š| ||
| 584 | S | 32.8 | Very low | 35.6 | Very low | 86 Ų | 86 | 105 Ų | 105 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | trans | -108.9 | 93.1 | 171.3 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | N582 S586 | N582-S584 PolarHBondContact O-N 3.44Å; S584-S586 VanDerWaalsContact C-N 3.26Å; S584-S586 PolarHBondContact O-N 3.45Å | ||
| 585 | N | 31.3 | Very low | 34.4 | Very low | 102 Ų | 102 | 109.7 Ų | 109.7 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | trans | -67.6 | 84 | 169.4 | -78 | -45.2 | 0 | 0 | 0 | 110.6 | V587 N1750 | N585-V587 PolarHBondContact O-N 3.46Å; N585-N1750 VanDerWaalsContact CG-ND2 3.27Å; N585-N1750 PolarHBondContact ND2-OD1 3.48Å; N585-N1750 VanDerWaalsContact OD1-CG 3.26Å; N585-N1750 PolarHBondContact OD1-ND2 3.28Å; N585-N1750 PolarHBondContact OD1-OD1 3.36Å | ||
| 586 | S | 33.3 | Very low | 33 | Very low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | trans | -68.6 | 77.4 | 168.7 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | S584 N588 | S584-S586 VanDerWaalsContact C-N 3.26Å; S584-S586 PolarHBondContact O-N 3.45Å; S586-N588 PolarHBondContact O-N 2.86Å | ||
| 587 | V | 31 | Very low | 32.6 | Very low | 63 Ų | 63 | 118.8 Ų | 118.8 | 38% | 0.382 | 69% | 0.685 | S | S | . | * | trans | -68.4 | 97.2 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | N585 Y589 | N585-V587 PolarHBondContact O-N 3.46Å; V587-Y589 HydrophobicContact CG1-CD2 4.49Å; V587-Y589 PolarHBondContact O-N 2.97Å | ||
| 588 | N | 30.6 | Very low | 31.8 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | -62.9 | 104.5 | 169.8 | -86.7 | -5 | 0 | 0 | 0 | 109.5 | S586 N590 | S586-N588 PolarHBondContact O-N 2.86Å; N588-N590 VanDerWaalsContact C-N 3.25Å; N588-N590 PolarHBondContact O-N 3.32Å; N588-N590 VanDerWaalsContact O-N 3.07Å | ||
| 589 | Y | 27.2 | Very low | 31.6 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | trans | -78.6 | 74.1 | 166.3 | -87.8 | -70.3 | 0 | 0 | 0 | 110.3 | V587 R1751 | V587-Y589 HydrophobicContact CG1-CD2 4.49Å; V587-Y589 PolarHBondContact O-N 2.97Å; Y589-R1751 PolarHBondContact OH-NH1 2.84Å | ||
| 590 | N | 34.5 | Very low | 31.3 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -96.8 | 92.8 | 162.1 | -81 | 16 | 0 | 0 | 0 | 108.8 | N588 | N588-N590 VanDerWaalsContact C-N 3.25Å; N588-N590 PolarHBondContact O-N 3.32Å; N588-N590 VanDerWaalsContact O-N 3.07Å | ||
| 591 | N | 31.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | -80.7 | 137.2 | 166.7 | -72.4 | -12.3 | 0 | 0 | 0 | 109.6 | ||||
| 592 | N | 31.7 | Very low | 31.1 | Very low | 169 Ų | 169 | 133 Ų | 133 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | trans | 71.7 | 130.8 | 166 | -43.7 | -21.2 | 0 | 0 | 0 | 116.4 | ||||
| 593 | G | 32.8 | Very low | 31 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 140.1 | 102.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 594 | D | 32.7 | Very low | 31.1 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -60.7 | 155.4 | -166.7 | -58 | -64.2 | 0 | 0 | 0 | 119.2 | ||||
| 595 | S | 33.3 | Very low | 31.1 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 89.7 | 144.6 | 140.4 | 78.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 596 | M | 27.9 | Very low | 31.3 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -30.4 | 139.7 | -179.4 | -64.9 | 177.6 | 167.6 | 0 | 0 | 119.9 | ||||
| 597 | T | 34.8 | Very low | 31.5 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | -166.1 | 161.3 | 95.4 | 19.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 598 | T | 28.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -106.9 | 135.2 | -172.9 | 42.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 599 | T | 31.9 | Very low | 32.9 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | -153.9 | 139.5 | 147.1 | 18.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 600 | N | 28.6 | Very low | 34.3 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -84.1 | 137.4 | 175 | -70.9 | -36 | 0 | 0 | 0 | 110.2 | ||||
| 601 | N | 31.8 | Very low | 35.9 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | -160 | 97.7 | 145.8 | -103.5 | -25 | 0 | 0 | 0 | 110.4 | ||||
| 602 | N | 28.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 117.6 Ų | 117.6 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | trans | -86.4 | 121.9 | 171.6 | -75.4 | -34.6 | 0 | 0 | 0 | 109.6 | ||||
| 603 | I | 29.7 | Very low | 40 | Very low | 156 Ų | 156 | 112.3 Ų | 112.3 | 80% | 0.8 | 66% | 0.655 | S | S | * | * | trans | 174.7 | 106.5 | 139.5 | -88.7 | 149.3 | 0 | 0 | 0 | 105.5 | S605 | I603-S605 VanDerWaalsContact C-N 3.29Å; I603-S605 PolarHBondContact O-N 3.13Å | ||
| 604 | S | 29.1 | Very low | 42 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -79.9 | 82.3 | 168.4 | 58.9 | 0 | 0 | 0 | 0 | 108.6 | T606 | S604-T606 PolarHBondContact O-N 3.08Š| ||
| 605 | S | 32.7 | Very low | 44.1 | Very low | 82 Ų | 82 | 102.4 Ų | 102.4 | 57% | 0.573 | 58% | 0.584 | S | S | * | * | trans | -56 | 122.1 | 167.6 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | I603 I607 | I603-S605 VanDerWaalsContact C-N 3.29Å; I603-S605 PolarHBondContact O-N 3.13Å; S605-I607 PolarHBondContact O-N 2.78Å | ||
| 606 | T | 35.4 | Very low | 46.7 | Very low | 117 Ų | 117 | 98.2 Ų | 98.2 | 72% | 0.718 | 55% | 0.551 | S | S | * | * | trans | -72.4 | 83.6 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | S604 T608 | S604-T606 PolarHBondContact O-N 3.08Å; T606-T608 PolarHBondContact O-N 2.74Å; T606-T608 VanDerWaalsContact O-N 3.15Å | ||
| 607 | I | 38 | Very low | 49.6 | Very low | 120 Ų | 120 | 90 Ų | 90 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | trans | -60.6 | 115 | 172.1 | -61.3 | 173.6 | 0 | 0 | 0 | 107.2 | S605 D609 | S605-I607 PolarHBondContact O-N 2.78Å; I607-D609 VanDerWaalsContact C-N 3.33Å; I607-D609 WeakPolarHBondContact CG2-OD1 3.37Å; I607-D609 PolarHBondContact O-N 2.95Å; I607-D609 VanDerWaalsContact O-N 3.1Å | ||
| 608 | T | 43.9 | Very low | 52.2 | Low | 43 Ų | 43 | 83.1 Ų | 83.1 | 26% | 0.264 | 47% | 0.468 | S | S | . | . | trans | -76.6 | 89.1 | 167.3 | 51.9 | 0 | 0 | 0 | 0 | 107.7 | Y579 T606 Y610 | Y579-T608 HydrophobicContact CE1-CG2 4.4Å; T606-T608 PolarHBondContact O-N 2.74Å; T606-T608 VanDerWaalsContact O-N 3.15Å; T608-Y610 WeakPolarHBondContact O-CD2 3.47Å; T608-Y610 PolarHBondContact O-N 3.08Å | ||
| 609 | D | 47.5 | Very low | 55.2 | Low | 147 Ų | 147 | 76.7 Ų | 76.7 | 79% | 0.786 | 43% | 0.429 | S | S | * | . | trans | -66.2 | 98.1 | 173.4 | -83.8 | -25.8 | 0 | 0 | 0 | 109.5 | I607 | I607-D609 VanDerWaalsContact C-N 3.33Å; I607-D609 WeakPolarHBondContact CG2-OD1 3.37Å; I607-D609 PolarHBondContact O-N 2.95Å; I607-D609 VanDerWaalsContact O-N 3.1Å | ||
| 610 | Y | 56.9 | Low | 57.9 | Low | 47 Ų | 47 | 69.8 Ų | 69.8 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | trans | -67.1 | 134.6 | 167.5 | -63.3 | -88.4 | 0 | 0 | 0 | 109.5 | M491 T492 E575 T608 F612 | M491-Y610 HydrophobicContact CE-CD1 4.16Å; M491-Y610 HydrophobicContact CE-CE1 3.91Å; T492-Y610 PolarHBondContact N-OH 3.04Å; T492-Y610 PolarHBondContact O-OH 3.42Å; T492-Y610 PolarHBondContact OG1-OH 2.95Å; E575-Y610 WeakPolarHBondContact OE1-CA 3.41Å; T608-Y610 WeakPolarHBondContact O-CD2 3.47Å; T608-Y610 PolarHBondContact O-N 3.08Å; Y610-F612 VanDerWaalsContact C-N 3.3Å; Y610-F612 WeakPolarHBondContact CB-O 3.19Å; Y610-F612 PolarHBondContact O-N 3.39Å | ||
| 611 | Q | 66.7 | Low | 60.6 | Low | 45 Ų | 45 | 62.5 Ų | 62.5 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -59.2 | -43.4 | 174.5 | 168.4 | -175.3 | 4.2 | 0 | 0 | 111 | E575 I679 S693 T694 | E575-Q611 VanDerWaalsContact CD-N 3.33Å; E575-Q611 HydrophobicContact CG-CB 4.4Å; E575-Q611 WeakPolarHBondContact OE1-CB 3.45Å; E575-Q611 PolarHBondContact OE1-N 3.03Å; E575-Q611 WeakPolarHBondContact OE2-CB 3.48Å; E575-Q611 PolarHBondContact OE2-N 3.24Å; E575-Q611 VanDerWaalsContact OE2-N 3.16Å; Q611-I679 HydrophobicContact CB-CD1 3.89Å; Q611-I679 HydrophobicContact CG-CD1 3.5Å; Q611-I679 HydrophobicContact CG-CG1 4.38Å; Q611-S693 VanDerWaalsContact CG-O 3.22Å; Q611-S693 WeakPolarHBondContact CG-O 3.29Å; Q611-S693 PolarHBondContact NE2-O 3.4Å; Q611-T694 HydrophobicContact CG-CG2 4.46Å; Q611-T694 WeakPolarHBondContact O-CG2 3.48Å |
| 612 | F | 73.2 | Confident | 63.2 | Low | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -110.5 | 142 | 176.4 | -65.4 | -74.3 | 0 | 0 | 0 | 111.3 | P571 A572 E575 Y610 P614 I675 I696 L710 | P571-F612 HydrophobicContact CB-CB 3.87Å; P571-F612 HydrophobicContact CB-CD1 3.67Å; P571-F612 HydrophobicContact CB-CD2 3.88Å; P571-F612 HydrophobicContact CB-CE1 4.15Å; P571-F612 HydrophobicContact CB-CE2 4.33Å; P571-F612 HydrophobicContact CB-CG 3.52Å; P571-F612 HydrophobicContact CB-CZ 4.47Å; P571-F612 HydrophobicContact CG-CD1 4.44Å; A572-F612 HydrophobicContact CB-CB 4.07Å; E575-F612 PolarHBondContact OE2-N 3.16Å; Y610-F612 VanDerWaalsContact C-N 3.3Å; Y610-F612 WeakPolarHBondContact CB-O 3.19Å; Y610-F612 PolarHBondContact O-N 3.39Å; F612-P614 WeakPolarHBondContact O-CD 3.09Å; F612-I675 HydrophobicContact CE2-CD1 4.32Å; F612-I675 HydrophobicContact CE2-CG2 3.54Å; F612-I675 HydrophobicContact CZ-CG2 3.5Å; F612-I675 VanDerWaalsContact CZ-CG2 3.5Å; F612-I696 HydrophobicContact CE1-CG2 4.3Å; F612-L710 HydrophobicContact CD1-CD1 3.91Å; F612-L710 HydrophobicContact CE1-CD1 3.96Å |
| 613 | N | 77.9 | Confident | 66.1 | Low | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | trans | -62.8 | 123.6 | 176.3 | -176.8 | 9.7 | 0 | 0 | 0 | 110 | D615 F616 | N613-D615 PolarHBondContact O-N 3.13Å; N613-D615 PolarHBondContact OD1-N 2.94Å; N613-F616 HydrophobicContact CB-CB 4.34Å; N613-F616 HydrophobicContact CB-CD1 4.12Å; N613-F616 HydrophobicContact CB-CD2 3.65Å; N613-F616 HydrophobicContact CB-CE1 4.31Å; N613-F616 HydrophobicContact CB-CE2 3.87Å; N613-F616 HydrophobicContact CB-CG 3.77Å; N613-F616 HydrophobicContact CB-CZ 4.19Å; N613-F616 VanDerWaalsContact ND2-CD1 3.27Å; N613-F616 WeakPolarHBondContact ND2-CD1 3.49Å; N613-F616 WeakPolarHBondContact ND2-CE1 3.24Å; N613-F616 WeakPolarHBondContact ND2-CZ 3.45Å; N613-F616 PolarHBondContact O-N 3.48Å; N613-F616 VanDerWaalsContact O-N 3.15Å | ||
| 614 | P | 72.8 | Confident | 69 | Low | 15 Ų | 15 | 48.2 Ų | 48.2 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13.3 | 178.8 | 25.2 | -37.8 | 0 | 0 | 0 | 114.8 | M491 T493 H570 F612 | M491-P614 HydrophobicContact CB-CB 3.86Å; M491-P614 HydrophobicContact CG-CB 4.22Å; M491-P614 HydrophobicContact SD-CB 3.58Å; M491-P614 VanDerWaalsContact SD-CB 3.58Å; T493-P614 HydrophobicContact CG2-CG 3.96Å; H570-P614 PolarHBondContact NE2-O 3.34Å; H570-P614 VanDerWaalsContact NE2-O 3.11Å; F612-P614 WeakPolarHBondContact O-CD 3.09Å |
| 615 | D | 78.8 | Confident | 72 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 11.3 | 179.3 | -56.1 | -51.7 | 0 | 0 | 0 | 114.1 | N613 L631 N632 Y635 | N613-D615 PolarHBondContact O-N 3.13Å; N613-D615 PolarHBondContact OD1-N 2.94Å; D615-L631 HydrophobicContact CB-CB 4.19Å; D615-L631 WeakPolarHBondContact O-CB 3.32Å; D615-L631 WeakPolarHBondContact O-CG 3.46Å; D615-L631 PolarHBondContact O-N 3.22Å; D615-N632 WeakPolarHBondContact CB-ND2 3.28Å; D615-N632 VanDerWaalsContact CG-ND2 3.29Å; D615-N632 PolarHBondContact OD2-ND2 2.68Å; D615-N632 PolarHBondContact OD2-OD1 3.23Å; D615-Y635 WeakPolarHBondContact OD1-CE2 3.28Å; D615-Y635 VanDerWaalsContact OD1-CZ 3.3Å; D615-Y635 PolarHBondContact OD1-OH 3.05Å |
| 616 | F | 86.4 | Confident | 74.8 | Confident | 34 Ų | 34 | 39 Ų | 39 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 113.5 | 179.3 | -76.5 | -1.8 | 0 | 0 | 0 | 112.4 | H570 P571 N613 L628 L660 | H570-F616 PolarHBondContact CD2-O 3.43Å; H570-F616 VanDerWaalsContact CD2-O 3.26Å; P571-F616 WeakPolarHBondContact CD-O 3.42Å; N613-F616 HydrophobicContact CB-CB 4.34Å; N613-F616 HydrophobicContact CB-CD1 4.12Å; N613-F616 HydrophobicContact CB-CD2 3.65Å; N613-F616 HydrophobicContact CB-CE1 4.31Å; N613-F616 HydrophobicContact CB-CE2 3.87Å; N613-F616 HydrophobicContact CB-CG 3.77Å; N613-F616 HydrophobicContact CB-CZ 4.19Å; N613-F616 VanDerWaalsContact ND2-CD1 3.27Å; N613-F616 WeakPolarHBondContact ND2-CD1 3.49Å; N613-F616 WeakPolarHBondContact ND2-CE1 3.24Å; N613-F616 WeakPolarHBondContact ND2-CZ 3.45Å; N613-F616 PolarHBondContact O-N 3.48Å; N613-F616 VanDerWaalsContact O-N 3.15Å; F616-L628 HydrophobicContact CB-CD1 3.9Å; F616-L628 HydrophobicContact CD2-CD1 4.04Å; F616-L628 HydrophobicContact CD2-CD2 4.42Å; F616-L628 HydrophobicContact CE2-CD2 4.38Å; F616-L628 HydrophobicContact CG-CD1 3.93Å; F616-L660 HydrophobicContact CD1-CD1 3.86Å; F616-L660 HydrophobicContact CE1-CD1 3.33Å; F616-L660 HydrophobicContact CZ-CD1 3.97Å |
| 617 | L | 88.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.7 | 166.7 | -179.7 | 66.6 | 0 | 0 | 0 | 109.5 | I486 L488 A510 I518 I520 L558 H570 W629 L631 | I486-L617 HydrophobicContact CG2-CD1 4.47Å; L488-L617 HydrophobicContact CD2-CD1 4.17Å; A510-L617 HydrophobicContact CB-CD2 4.35Å; I518-L617 HydrophobicContact CG2-CD2 4.43Å; I520-L617 HydrophobicContact CD1-CD2 4.23Å; L558-L617 HydrophobicContact CD1-CD2 4.05Å; H570-L617 HydrophobicContact CB-CD1 4.2Å; L617-W629 HydrophobicContact CB-CB 4.38Å; L617-W629 PolarHBondContact N-O 3.47Å; L617-W629 PolarHBondContact O-N 3.47Å; L617-L631 HydrophobicContact CB-CD1 4.32Å; L617-L631 HydrophobicContact CB-CD2 4.08Å; L617-L631 HydrophobicContact CB-CG 4.28Å; L617-L631 HydrophobicContact CD2-CD2 4.42Å |
| 618 | L | 90.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 150.5 | 169.1 | -73.3 | 156 | 0 | 0 | 0 | 110.3 | L568 L569 P571 V626 R627 L628 L673 I696 L710 | L568-L618 CarbonylContact C-O 3.43Å; L568-L618 WeakPolarHBondContact CA-O 3.48Å; L569-L618 HydrophobicContact CB-CB 4.18Å; L569-L618 HydrophobicContact CD2-CD1 4.08Å; L569-L618 PolarHBondContact N-O 2.94Å; L569-L618 WeakPolarHBondContact O-CB 3.49Å; L569-L618 PolarHBondContact O-N 3.41Å; P571-L618 HydrophobicContact CG-CD1 3.84Å; L618-V626 HydrophobicContact CD2-CG1 4.2Å; L618-R627 CarbonylContact C-O 3.48Å; L618-R627 VanDerWaalsContact CA-O 3.24Å; L618-R627 WeakPolarHBondContact CA-O 3.44Å; L618-L628 HydrophobicContact CD2-CB 4.03Å; L618-L628 HydrophobicContact CD2-CD1 3.8Å; L618-L628 HydrophobicContact CG-CD1 3.99Å; L618-L673 HydrophobicContact CB-CD1 4.05Å; L618-I696 HydrophobicContact CD1-CB 4.3Å; L618-I696 HydrophobicContact CD1-CD1 4.02Å; L618-I696 HydrophobicContact CD1-CG1 3.76Å; L618-I696 HydrophobicContact CD1-CG2 4.08Å; L618-L710 HydrophobicContact CD1-CD1 4.06Å; L618-L710 HydrophobicContact CD1-CD2 4.23Å; L618-L710 HydrophobicContact CD2-CD2 4.2Å |
| 619 | S | 90.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.5 | 170.7 | 63.3 | 0 | 0 | 0 | 0 | 112 | H561 S567 V626 R627 W629 | H561-S619 PolarHBondContact CD2-OG 3.06Å; H561-S619 PolarHBondContact NE2-OG 3.5Å; S567-S619 CarbonylContact O-C 3.58Å; S567-S619 VanDerWaalsContact O-CA 3.26Å; S567-S619 WeakPolarHBondContact O-CA 3.46Å; S619-V626 CarbonylContact O-C 3.58Å; S619-V626 VanDerWaalsContact O-CA 3.24Å; S619-V626 WeakPolarHBondContact O-CA 3.48Å; S619-R627 PolarHBondContact N-O 3.44Å; S619-R627 PolarHBondContact O-N 3.1Å; S619-W629 PolarHBondContact OG-NE1 2.69Å |
| 620 | G | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 149.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V565 T566 S567 T625 | V565-G620 WeakPolarHBondContact CG1-O 3.44Å; T566-G620 PolarHBondContact N-O 2.83Å; T566-G620 PolarHBondContact OG1-O 3.33Å; S567-G620 PolarHBondContact N-O 2.76Å; S567-G620 PolarHBondContact O-N 3.01Å; S567-G620 WeakPolarHBondContact OG-CA 3.28Å; S567-G620 PolarHBondContact OG-N 3.1Å; G620-T625 WeakPolarHBondContact CA-O 3.5Å |
| 621 | G | 85.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 167.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | H561 P564 T566 D623 F624 T625 C670 | H561-G621 PolarHBondContact CE1-N 3.11Å; P564-G621 WeakPolarHBondContact O-CA 3.18Å; T566-G621 WeakPolarHBondContact OG1-CA 3.42Å; T566-G621 PolarHBondContact OG1-N 3.1Å; G621-D623 PolarHBondContact O-N 2.87Å; G621-F624 PolarHBondContact O-N 2.82Å; G621-T625 PolarHBondContact N-O 2.93Å; G621-C670 PolarHBondContact O-N 3.15Å |
| 622 | M | 85.9 | Confident | 85.4 | Confident | 49 Ų | 49 | 21 Ų | 21 | 24% | 0.241 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.4 | 167.9 | -164.5 | 69.5 | -166.8 | 0 | 0 | 112.4 | P564 T566 F624 P669 W894 | P564-M622 HydrophobicContact CB-CB 4.15Å; P564-M622 HydrophobicContact CG-CB 4.39Å; P564-M622 WeakPolarHBondContact O-CB 3.37Å; P564-M622 PolarHBondContact O-N 2.94Å; T566-M622 HydrophobicContact CG2-CB 4.49Å; M622-F624 WeakPolarHBondContact O-CD1 3.26Å; M622-F624 VanDerWaalsContact O-CE1 3.28Å; M622-F624 WeakPolarHBondContact O-CE1 3.47Å; M622-F624 PolarHBondContact O-N 3.05Å; M622-F624 VanDerWaalsContact O-N 3.16Å; M622-P669 HydrophobicContact CE-CG 3.62Å; M622-P669 HydrophobicContact CG-CG 4.48Å; M622-P669 HydrophobicContact SD-CB 3.84Å; M622-P669 HydrophobicContact SD-CG 3.38Å; M622-P669 WeakPolarHBondContact SD-CG 3.27Å; M622-W894 HydrophobicContact CE-CG 4.5Å; M622-W894 HydrophobicContact SD-CD2 4.41Å; M622-W894 HydrophobicContact SD-CG 4.24Å |
| 623 | D | 89.2 | Confident | 85 | Confident | 32 Ų | 32 | 22 Ų | 22 | 17% | 0.171 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 13.7 | 171.9 | 66 | 2.9 | 0 | 0 | 0 | 114.5 | H561 I562 G621 T625 R627 | H561-D623 WeakPolarHBondContact CA-OD2 3.14Å; H561-D623 IonicContact CE1-OD1 3.52Å; H561-D623 IonicContact CG-OD2 2.69Å; H561-D623 VanDerWaalsContact ND1-CG 3.33Å; H561-D623 IonicContact ND1-OD1 3.27Å; H561-D623 PolarHBondContact ND1-OD1 3Å; H561-D623 IonicContact ND1-OD2 2.89Å; H561-D623 PolarHBondContact ND1-OD2 3.11Å; H561-D623 VanDerWaalsContact ND1-OD2 3.08Å; I562-D623 HydrophobicContact CB-CB 4.09Å; I562-D623 PolarHBondContact N-OD2 3.4Å; I562-D623 VanDerWaalsContact N-OD2 3.12Å; G621-D623 PolarHBondContact O-N 2.87Å; D623-T625 WeakPolarHBondContact O-CG2 3.43Å; D623-T625 PolarHBondContact O-N 3.26Å; D623-T625 WeakPolarHBondContact OD1-CB 3.47Å; D623-T625 PolarHBondContact OD1-N 3.46Å; D623-T625 VanDerWaalsContact OD1-N 3.14Å; D623-T625 PolarHBondContact OD1-OG1 3.25Å; D623-T625 PolarHBondContact OD2-OG1 3.04Å; D623-R627 IonicContact OD2-CZ 3.88Å; D623-R627 IonicContact OD2-NE 2.69Å; D623-R627 IonicContact OD2-NH2 3.39Å; D623-R627 PolarHBondContact OD2-NH2 3.08Å |
| 624 | F | 91.1 | Very high | 84.3 | Confident | 90 Ų | 90 | 19.6 Ų | 19.6 | 40% | 0.395 | 10% | 0.098 | S | C | . | . | S | Bend | trans | 61.8 | 9 | -179 | -40.4 | -21.4 | 0 | 0 | 0 | 114.1 | G621 M622 H666 S668 P669 | G621-F624 PolarHBondContact O-N 2.82Å; M622-F624 WeakPolarHBondContact O-CD1 3.26Å; M622-F624 VanDerWaalsContact O-CE1 3.28Å; M622-F624 WeakPolarHBondContact O-CE1 3.47Å; M622-F624 PolarHBondContact O-N 3.05Å; M622-F624 VanDerWaalsContact O-N 3.16Å; F624-H666 WeakPolarHBondContact CB-O 3.43Å; F624-S668 WeakPolarHBondContact CB-O 3.46Å; F624-P669 HydrophobicContact CD1-CG 4.11Å; F624-P669 VanDerWaalsContact CD1-N 3.33Å; F624-P669 HydrophobicContact CE1-CG 3.95Å |
| 625 | T | 92.1 | Very high | 83.7 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | -95.8 | 150.6 | -179.2 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | H561 G620 G621 D623 R627 V662 Y663 R664 | H561-T625 PolarHBondContact CE1-OG1 3.29Å; H561-T625 VanDerWaalsContact CE1-OG1 3.23Å; H561-T625 PolarHBondContact ND1-OG1 3.06Å; G620-T625 WeakPolarHBondContact CA-O 3.5Å; G621-T625 PolarHBondContact N-O 2.93Å; D623-T625 WeakPolarHBondContact O-CG2 3.43Å; D623-T625 PolarHBondContact O-N 3.26Å; D623-T625 WeakPolarHBondContact OD1-CB 3.47Å; D623-T625 PolarHBondContact OD1-N 3.46Å; D623-T625 VanDerWaalsContact OD1-N 3.14Å; D623-T625 PolarHBondContact OD1-OG1 3.25Å; D623-T625 PolarHBondContact OD2-OG1 3.04Å; T625-R627 PolarHBondContact OG1-NE 2.95Å; T625-V662 HydrophobicContact CG2-CG1 3.86Å; T625-Y663 WeakPolarHBondContact CA-O 3.05Å; T625-R664 HydrophobicContact CG2-CG 4.11Å | ||
| 626 | V | 92.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.7 | 159.1 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | L618 S619 Y663 C670 L673 | L618-V626 HydrophobicContact CD2-CG1 4.2Å; S619-V626 CarbonylContact O-C 3.58Å; S619-V626 VanDerWaalsContact O-CA 3.24Å; S619-V626 WeakPolarHBondContact O-CA 3.48Å; V626-Y663 HydrophobicContact CG1-CD2 4.45Å; V626-Y663 PolarHBondContact N-O 3.03Å; V626-Y663 WeakPolarHBondContact O-CB 3.47Å; V626-Y663 PolarHBondContact O-N 3.01Å; V626-C670 HydrophobicContact CG2-CB 4.26Å; V626-C670 VanDerWaalsContact CG2-SG 3.56Å; V626-L673 HydrophobicContact CG1-CD1 4.42Å; V626-L673 HydrophobicContact CG1-CD2 3.74Å; V626-L673 HydrophobicContact CG2-CD2 3.99Å |
| 627 | R | 92.1 | Very high | 80.6 | Confident | 29 Ų | 29 | 28.1 Ų | 28.1 | 11% | 0.109 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.6 | -172.9 | -61.1 | -172.1 | -177.1 | -140 | 13.8 | 110.9 | G560 H561 L618 S619 D623 T625 W629 S661 V662 | G560-R627 VanDerWaalsContact C-NH1 3.3Å; G560-R627 PolarHBondContact O-NH1 3.39Å; G560-R627 PolarHBondContact O-NH2 2.9Å; H561-R627 PolarHBondContact ND1-NE 3.13Å; L618-R627 CarbonylContact C-O 3.48Å; L618-R627 VanDerWaalsContact CA-O 3.24Å; L618-R627 WeakPolarHBondContact CA-O 3.44Å; S619-R627 PolarHBondContact N-O 3.44Å; S619-R627 PolarHBondContact O-N 3.1Å; D623-R627 IonicContact OD2-CZ 3.88Å; D623-R627 IonicContact OD2-NE 2.69Å; D623-R627 IonicContact OD2-NH2 3.39Å; D623-R627 PolarHBondContact OD2-NH2 3.08Å; T625-R627 PolarHBondContact OG1-NE 2.95Å; R627-W629 HydrophobicContact CB-CZ2 4.08Å; R627-S661 WeakPolarHBondContact CA-O 3.34Å; R627-V662 HydrophobicContact CG-CG1 4.25Å; R627-V662 HydrophobicContact CG-CG2 4.2Å |
| 628 | L | 92.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.2 | 174 | -179.6 | 67.3 | 0 | 0 | 0 | 109 | F616 L618 C659 L660 S661 Y663 L710 | F616-L628 HydrophobicContact CB-CD1 3.9Å; F616-L628 HydrophobicContact CD2-CD1 4.04Å; F616-L628 HydrophobicContact CD2-CD2 4.42Å; F616-L628 HydrophobicContact CE2-CD2 4.38Å; F616-L628 HydrophobicContact CG-CD1 3.93Å; L618-L628 HydrophobicContact CD2-CB 4.03Å; L618-L628 HydrophobicContact CD2-CD1 3.8Å; L618-L628 HydrophobicContact CG-CD1 3.99Å; L628-C659 CarbonylContact O-C 3.49Å; L628-C659 WeakPolarHBondContact O-CA 3.24Å; L628-L660 HydrophobicContact CB-CB 4.46Å; L628-L660 HydrophobicContact CD2-CB 4.1Å; L628-L660 HydrophobicContact CD2-CD1 4.25Å; L628-L660 HydrophobicContact CG-CB 4.15Å; L628-L660 HydrophobicContact CG-CD1 4.26Å; L628-L660 PolarHBondContact O-N 3.3Å; L628-S661 WeakPolarHBondContact CB-OG 3.46Å; L628-S661 PolarHBondContact N-O 2.92Å; L628-Y663 HydrophobicContact CB-CE2 4.48Å; L628-L710 HydrophobicContact CD1-CD2 4.47Å |
| 629 | W | 89.4 | Confident | 76.5 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.5 | -176.8 | -52.1 | 90.6 | 0 | 0 | 0 | 111.7 | I518 L558 L617 S619 R627 L658 C659 | I518-W629 HydrophobicContact CD1-CZ2 4.09Å; L558-W629 HydrophobicContact CB-CD2 4.32Å; L558-W629 HydrophobicContact CB-CE3 3.95Å; L558-W629 HydrophobicContact CB-CH2 4.3Å; L558-W629 HydrophobicContact CB-CZ3 3.94Å; L558-W629 HydrophobicContact CD1-CB 4Å; L558-W629 HydrophobicContact CD1-CD2 3.92Å; L558-W629 HydrophobicContact CD1-CE3 4.16Å; L558-W629 HydrophobicContact CD1-CG 3.86Å; L558-W629 HydrophobicContact CD2-CE3 3.97Å; L558-W629 HydrophobicContact CG-CD2 4.5Å; L558-W629 HydrophobicContact CG-CE3 4.26Å; L617-W629 HydrophobicContact CB-CB 4.38Å; L617-W629 PolarHBondContact N-O 3.47Å; L617-W629 PolarHBondContact O-N 3.47Å; S619-W629 PolarHBondContact OG-NE1 2.69Å; R627-W629 HydrophobicContact CB-CZ2 4.08Å; W629-L658 CarbonylContact C-O 3.59Å; W629-L658 VanDerWaalsContact CA-O 3.28Å; W629-L658 WeakPolarHBondContact CA-O 2.98Å; W629-L658 HydrophobicContact CE3-CB 4.24Å; W629-C659 HydrophobicContact CE3-CB 3.88Å; W629-C659 HydrophobicContact CH2-CB 4.31Å; W629-C659 HydrophobicContact CZ3-CB 3.76Å |
| 630 | D | 85.5 | Confident | 74.1 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.7 | 172.1 | -157.6 | -31 | 0 | 0 | 0 | 111.3 | N632 L658 L660 | D630-N632 VanDerWaalsContact OD1-CB 3.27Å; D630-N632 WeakPolarHBondContact OD1-CB 3.14Å; D630-N632 PolarHBondContact OD1-N 2.97Å; D630-N632 PolarHBondContact OD1-ND2 2.85Å; D630-L658 PolarHBondContact N-O 3.35Å; D630-L660 HydrophobicContact CB-CD1 3.84Å; D630-L660 HydrophobicContact CB-CD2 4.04Å; D630-L660 HydrophobicContact CB-CG 3.9Å |
| 631 | L | 79.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -84.4 | -8.4 | 177.7 | -59 | -177.8 | 0 | 0 | 0 | 113.5 | L488 I520 D615 L617 S633 W634 | L488-L631 HydrophobicContact CD1-CD1 4.12Å; I520-L631 HydrophobicContact CD1-CD2 3.41Å; I520-L631 VanDerWaalsContact CD1-CD2 3.41Å; D615-L631 HydrophobicContact CB-CB 4.19Å; D615-L631 WeakPolarHBondContact O-CB 3.32Å; D615-L631 WeakPolarHBondContact O-CG 3.46Å; D615-L631 PolarHBondContact O-N 3.22Å; L617-L631 HydrophobicContact CB-CD1 4.32Å; L617-L631 HydrophobicContact CB-CD2 4.08Å; L617-L631 HydrophobicContact CB-CG 4.28Å; L617-L631 HydrophobicContact CD2-CD2 4.42Å; L631-S633 VanDerWaalsContact C-N 3.28Å; L631-S633 PolarHBondContact O-N 2.88Å; L631-W634 WeakPolarHBondContact O-CB 3.42Å; L631-W634 PolarHBondContact O-N 3.01Å | ||
| 632 | N | 72.1 | Confident | 69.7 | Low | 67 Ų | 67 | 52.7 Ų | 52.7 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.4 | -38.4 | -174.6 | -85.5 | -83.5 | 0 | 0 | 0 | 113.9 | D615 D630 W634 Y635 | D615-N632 WeakPolarHBondContact CB-ND2 3.28Å; D615-N632 VanDerWaalsContact CG-ND2 3.29Å; D615-N632 PolarHBondContact OD2-ND2 2.68Å; D615-N632 PolarHBondContact OD2-OD1 3.23Å; D630-N632 VanDerWaalsContact OD1-CB 3.27Å; D630-N632 WeakPolarHBondContact OD1-CB 3.14Å; D630-N632 PolarHBondContact OD1-N 2.97Å; D630-N632 PolarHBondContact OD1-ND2 2.85Å; N632-W634 PolarHBondContact O-N 2.93Å; N632-W634 VanDerWaalsContact O-N 3.16Å; N632-Y635 VanDerWaalsContact O-CD2 3.25Å; N632-Y635 WeakPolarHBondContact O-CD2 3.34Å; N632-Y635 PolarHBondContact O-N 3.43Å; N632-Y635 VanDerWaalsContact O-N 3.08Å |
| 633 | S | 63.9 | Low | 67.2 | Low | 26 Ų | 26 | 54.1 Ų | 54.1 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -20.6 | 176 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | F556 L631 S637 L658 | F556-S633 VanDerWaalsContact CZ-OG 3.3Å; F556-S633 WeakPolarHBondContact CZ-OG 3.08Å; L631-S633 VanDerWaalsContact C-N 3.28Å; L631-S633 PolarHBondContact O-N 2.88Å; S633-S637 PolarHBondContact O-N 3.27Å; S633-L658 WeakPolarHBondContact OG-CD2 3.49Å |
| 634 | W | 63.5 | Low | 64.6 | Low | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 172.3 | -173.5 | 75.7 | 0 | 0 | 0 | 110.9 | P506 R508 R522 F556 L631 N632 E636 S637 T638 | P506-W634 HydrophobicContact CG-CH2 3.71Å; P506-W634 HydrophobicContact CG-CZ3 4.26Å; R508-W634 HydrophobicContact CG-CH2 4.33Å; R508-W634 HydrophobicContact CG-CZ2 4.37Å; R522-W634 HydrophobicContact CG-CH2 4.16Å; R522-W634 HydrophobicContact CG-CZ2 3.85Å; F556-W634 VanDerWaalsContact CB-CD1 3.41Å; F556-W634 HydrophobicContact CD1-CB 4.47Å; F556-W634 AromaticContact CD1-CD1 3.94Å; F556-W634 HydrophobicContact CE1-CB 4.45Å; F556-W634 AromaticContact CG-CD1 3.56Å; F556-W634 HydrophobicContact CG-CG 4.49Å; L631-W634 WeakPolarHBondContact O-CB 3.42Å; L631-W634 PolarHBondContact O-N 3.01Å; N632-W634 PolarHBondContact O-N 2.93Å; N632-W634 VanDerWaalsContact O-N 3.16Å; W634-E636 PolarHBondContact O-N 2.87Å; W634-S637 PolarHBondContact O-N 3.47Å; W634-S637 VanDerWaalsContact O-N 3.15Å; W634-S637 PolarHBondContact O-OG 3.25Å; W634-T638 HydrophobicContact CH2-CG2 4.22Å; W634-T638 HydrophobicContact CZ2-CG2 3.96Å; W634-T638 PolarHBondContact O-N 2.77Å; W634-T638 PolarHBondContact O-OG1 2.92Å |
| 635 | Y | 60.3 | Low | 61.8 | Low | 40 Ų | 40 | 59.6 Ų | 59.6 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | -178.8 | -46.6 | -59.2 | 0 | 0 | 0 | 111.4 | H505 R508 D615 N632 S637 T638 G639 | H505-Y635 HydrophobicContact CB-CE1 4.37Å; H505-Y635 AromaticContact CD2-CE1 3.89Å; H505-Y635 AromaticContact CE1-CD1 3.4Å; H505-Y635 VanDerWaalsContact CE1-CD1 3.4Å; H505-Y635 WeakPolarHBondContact CE1-CD1 3.44Å; H505-Y635 AromaticContact CE1-CE1 3.28Å; H505-Y635 WeakPolarHBondContact CE1-CE1 3.31Å; H505-Y635 AromaticContact CE1-CZ 3.82Å; H505-Y635 AromaticContact CG-CE1 3.54Å; H505-Y635 AromaticContact ND1-CD1 3.38Å; H505-Y635 WeakPolarHBondContact ND1-CD1 3.23Å; H505-Y635 AromaticContact ND1-CE1 3.15Å; H505-Y635 WeakPolarHBondContact ND1-CE1 3.36Å; H505-Y635 AromaticContact NE2-CE1 3.72Å; H505-Y635 AromaticContact NE2-CZ 3.83Å; R508-Y635 PolarHBondContact NH1-OH 3.49Å; R508-Y635 VanDerWaalsContact NH1-OH 3.09Å; R508-Y635 PolarHBondContact NH2-OH 2.87Å; R508-Y635 VanDerWaalsContact NH2-OH 3.09Å; D615-Y635 WeakPolarHBondContact OD1-CE2 3.28Å; D615-Y635 VanDerWaalsContact OD1-CZ 3.3Å; D615-Y635 PolarHBondContact OD1-OH 3.05Å; N632-Y635 VanDerWaalsContact O-CD2 3.25Å; N632-Y635 WeakPolarHBondContact O-CD2 3.34Å; N632-Y635 PolarHBondContact O-N 3.43Å; N632-Y635 VanDerWaalsContact O-N 3.08Å; Y635-S637 VanDerWaalsContact C-N 3.28Å; Y635-S637 PolarHBondContact O-N 2.58Å; Y635-T638 PolarHBondContact O-N 3.13Å; Y635-T638 PolarHBondContact O-OG1 2.96Å; Y635-G639 PolarHBondContact O-N 2.8Å |
| 636 | E | 51.7 | Low | 58.7 | Low | 141 Ų | 141 | 62.7 Ų | 62.7 | 66% | 0.659 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.4 | -37.1 | 175.4 | -62.1 | -173.8 | 152 | 0 | 0 | 112.3 | W634 N640 | W634-E636 PolarHBondContact O-N 2.87Å; E636-N640 PolarHBondContact O-ND2 2.94Å |
| 637 | S | 48.7 | Very low | 55.6 | Low | 57 Ų | 57 | 73.1 Ų | 73.1 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.8 | -32.8 | 178.4 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | S633 W634 Y635 | S633-S637 PolarHBondContact O-N 3.27Å; W634-S637 PolarHBondContact O-N 3.47Å; W634-S637 VanDerWaalsContact O-N 3.15Å; W634-S637 PolarHBondContact O-OG 3.25Å; Y635-S637 VanDerWaalsContact C-N 3.28Å; Y635-S637 PolarHBondContact O-N 2.58Å |
| 638 | T | 49.3 | Very low | 52.5 | Low | 49 Ų | 49 | 81.8 Ų | 81.8 | 30% | 0.301 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -81.6 | -32.2 | -178.5 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | W634 Y635 | W634-T638 HydrophobicContact CH2-CG2 4.22Å; W634-T638 HydrophobicContact CZ2-CG2 3.96Å; W634-T638 PolarHBondContact O-N 2.77Å; W634-T638 PolarHBondContact O-OG1 2.92Å; Y635-T638 PolarHBondContact O-N 3.13Å; Y635-T638 PolarHBondContact O-OG1 2.96Å |
| 639 | G | 43.7 | Very low | 49.5 | Very low | 53 Ų | 53 | 91.2 Ų | 91.2 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.2 | -26.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y635 N641 | Y635-G639 PolarHBondContact O-N 2.8Å; G639-N641 PolarHBondContact O-N 2.96Å |
| 640 | N | 38.9 | Very low | 46.7 | Very low | 121 Ų | 121 | 97.7 Ų | 97.7 | 65% | 0.647 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.8 | -168.1 | -79.5 | -59.5 | 0 | 0 | 0 | 115.8 | E636 | E636-N640 PolarHBondContact O-ND2 2.94Š|
| 641 | N | 40.6 | Very low | 44 | Very low | 144 Ų | 144 | 98.7 Ų | 98.7 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 2.3 | -170.7 | -75.3 | -23.4 | 0 | 0 | 0 | 115.6 | G639 | G639-N641 PolarHBondContact O-N 2.96Š|
| 642 | I | 41.4 | Very low | 41.6 | Very low | 149 Ų | 149 | 105.6 Ų | 105.6 | 76% | 0.764 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -118.8 | -18.4 | -174.7 | -60.4 | 179 | 0 | 0 | 0 | 112.5 | S644 | I642-S644 PolarHBondContact O-N 3.31Å; I642-S644 VanDerWaalsContact O-N 3.12Å |
| 643 | S | 34.3 | Very low | 39.7 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -86.3 | 86.3 | -172.9 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 644 | S | 34.8 | Very low | 38.5 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | 65.8 | 130.5 | 157.7 | 70 | 0 | 0 | 0 | 0 | 119.3 | I642 G646 | I642-S644 PolarHBondContact O-N 3.31Å; I642-S644 VanDerWaalsContact O-N 3.12Å; S644-G646 PolarHBondContact O-N 3.5Å | ||
| 645 | S | 30.6 | Very low | 37.4 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 90% | 0.895 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -65 | 119 | 166.5 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 646 | G | 28.7 | Very low | 36.7 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | 136.9 | 45.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | S644 | S644-G646 PolarHBondContact O-N 3.5Š| ||
| 647 | R | 27.2 | Very low | 36.8 | Very low | 219 Ų | 219 | 124 Ų | 124 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | trans | -149.1 | 122.5 | 154.4 | -108 | 160.8 | -157.7 | -169.7 | 4.8 | 112.1 | Y649 | R647-Y649 HydrophobicContact CB-CD2 4.28Å; R647-Y649 PolarHBondContact O-N 2.9Å; R647-Y649 VanDerWaalsContact O-N 3.1Å | ||
| 648 | K | 26.4 | Very low | 37.9 | Very low | 210 Ų | 210 | 123.5 Ų | 123.5 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -74.3 | 91.9 | 168.3 | -75.3 | -176.7 | 176.6 | 179.6 | 0 | 109.2 | ||||
| 649 | Y | 28.8 | Very low | 39.5 | Very low | 198 Ų | 198 | 122 Ų | 122 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -89.6 | 98.7 | 161.1 | -92.8 | -77.8 | 0 | 0 | 0 | 110 | R647 G651 | R647-Y649 HydrophobicContact CB-CD2 4.28Å; R647-Y649 PolarHBondContact O-N 2.9Å; R647-Y649 VanDerWaalsContact O-N 3.1Å; Y649-G651 PolarHBondContact O-N 3.39Å | ||
| 650 | V | 30 | Very low | 41.5 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | trans | -72.2 | 112.9 | 154.2 | 176.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 651 | G | 29.2 | Very low | 43.9 | Very low | 64 Ų | 64 | 117.8 Ų | 117.8 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | trans | -155 | 89 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y649 N653 | Y649-G651 PolarHBondContact O-N 3.39Å; G651-N653 PolarHBondContact O-N 2.97Å | ||
| 652 | N | 29.2 | Very low | 46.3 | Very low | 144 Ų | 144 | 113.4 Ų | 113.4 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | trans | -61.3 | 119.2 | 169.7 | -56.7 | -22.5 | 0 | 0 | 0 | 109.2 | ||||
| 653 | N | 32.7 | Very low | 48.6 | Very low | 145 Ų | 145 | 107 Ų | 107 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | trans | -177 | 65.2 | 156.2 | -97 | -34 | 0 | 0 | 0 | 113.7 | G651 | G651-N653 PolarHBondContact O-N 2.97Š| ||
| 654 | C | 38.9 | Very low | 51.3 | Low | 135 Ų | 135 | 112.9 Ų | 112.9 | 91% | 0.912 | 62% | 0.624 | S | S | * | * | trans | -116.8 | 44.6 | 164.8 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 655 | S | 39.8 | Very low | 53.3 | Low | 116 Ų | 116 | 108.3 Ų | 108.3 | 81% | 0.811 | 59% | 0.592 | S | S | * | * | trans | -141.9 | 22.1 | 179.6 | -50 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 656 | K | 46.7 | Very low | 55.9 | Low | 178 Ų | 178 | 102.9 Ų | 102.9 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -69.9 | 131.2 | 160.6 | -90.5 | -176.4 | 173.4 | 178 | 0 | 108.3 | L658 | K656-L658 PolarHBondContact O-N 3.35Š|
| 657 | S | 52.1 | Low | 58.6 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | trans | -60.5 | 111.3 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 111 | C659 | S657-C659 PolarHBondContact O-N 3.38Å; S657-C659 PolarHBondContact OG-N 2.83Å; S657-C659 PolarHBondContact OG-O 3.24Å | ||
| 658 | L | 72.4 | Confident | 61.2 | Low | 45 Ų | 45 | 93.7 Ų | 93.7 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | trans | -73.1 | -18.1 | 172.6 | -56.4 | -176.8 | 0 | 0 | 0 | 111.9 | F556 L558 W629 D630 S633 K656 L660 | F556-L658 HydrophobicContact CE1-CD1 3.94Å; F556-L658 HydrophobicContact CE2-CD1 4.46Å; F556-L658 HydrophobicContact CZ-CD1 3.52Å; L558-L658 HydrophobicContact CD2-CB 3.88Å; L558-L658 HydrophobicContact CD2-CD1 3.56Å; L558-L658 HydrophobicContact CD2-CG 4.38Å; W629-L658 CarbonylContact C-O 3.59Å; W629-L658 VanDerWaalsContact CA-O 3.28Å; W629-L658 WeakPolarHBondContact CA-O 2.98Å; W629-L658 HydrophobicContact CE3-CB 4.24Å; D630-L658 PolarHBondContact N-O 3.35Å; S633-L658 WeakPolarHBondContact OG-CD2 3.49Å; K656-L658 PolarHBondContact O-N 3.35Å; L658-L660 PolarHBondContact O-N 2.68Å | ||
| 659 | C | 83.8 | Confident | 63.9 | Low | 19 Ų | 19 | 84.3 Ų | 84.3 | 13% | 0.128 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 113 | 171 | -159.3 | 0 | 0 | 0 | 0 | 108.9 | L628 W629 S657 S661 V662 | L628-C659 CarbonylContact O-C 3.49Å; L628-C659 WeakPolarHBondContact O-CA 3.24Å; W629-C659 HydrophobicContact CE3-CB 3.88Å; W629-C659 HydrophobicContact CH2-CB 4.31Å; W629-C659 HydrophobicContact CZ3-CB 3.76Å; S657-C659 PolarHBondContact O-N 3.38Å; S657-C659 PolarHBondContact OG-N 2.83Å; S657-C659 PolarHBondContact OG-O 3.24Å; C659-S661 PolarHBondContact SG-O 3.42Å; C659-S661 VanDerWaalsContact SG-O 3.38Å; C659-V662 VanDerWaalsContact SG-CG2 3.53Å |
| 660 | L | 86.2 | Confident | 66.6 | Low | 60 Ų | 60 | 74.9 Ų | 74.9 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -30 | 179.9 | -67.6 | 177.6 | 0 | 0 | 0 | 113.3 | F616 L628 D630 L658 | F616-L660 HydrophobicContact CD1-CD1 3.86Å; F616-L660 HydrophobicContact CE1-CD1 3.33Å; F616-L660 HydrophobicContact CZ-CD1 3.97Å; L628-L660 HydrophobicContact CB-CB 4.46Å; L628-L660 HydrophobicContact CD2-CB 4.1Å; L628-L660 HydrophobicContact CD2-CD1 4.25Å; L628-L660 HydrophobicContact CG-CB 4.15Å; L628-L660 HydrophobicContact CG-CD1 4.26Å; L628-L660 PolarHBondContact O-N 3.3Å; D630-L660 HydrophobicContact CB-CD1 3.84Å; D630-L660 HydrophobicContact CB-CD2 4.04Å; D630-L660 HydrophobicContact CB-CG 3.9Å; L658-L660 PolarHBondContact O-N 2.68Å |
| 661 | S | 87.9 | Confident | 68.8 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 153.7 | 173.6 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | R627 L628 C659 Y663 | R627-S661 WeakPolarHBondContact CA-O 3.34Å; L628-S661 WeakPolarHBondContact CB-OG 3.46Å; L628-S661 PolarHBondContact N-O 2.92Å; C659-S661 PolarHBondContact SG-O 3.42Å; C659-S661 VanDerWaalsContact SG-O 3.38Å; S661-Y663 WeakPolarHBondContact OG-CE2 3.47Å; S661-Y663 VanDerWaalsContact OG-CZ 3.27Å; S661-Y663 PolarHBondContact OG-OH 2.88Å |
| 662 | V | 91 | Very high | 71.1 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 111.7 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | T625 R627 C659 | T625-V662 HydrophobicContact CG2-CG1 3.86Å; R627-V662 HydrophobicContact CG-CG1 4.25Å; R627-V662 HydrophobicContact CG-CG2 4.2Å; C659-V662 VanDerWaalsContact SG-CG2 3.53Å |
| 663 | Y | 91.2 | Very high | 73.7 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 6% | 0.059 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.2 | 178 | -58 | -74.4 | 0 | 0 | 0 | 109.7 | T625 V626 L628 S661 C665 I708 K713 | T625-Y663 WeakPolarHBondContact CA-O 3.05Å; V626-Y663 HydrophobicContact CG1-CD2 4.45Å; V626-Y663 PolarHBondContact N-O 3.03Å; V626-Y663 WeakPolarHBondContact O-CB 3.47Å; V626-Y663 PolarHBondContact O-N 3.01Å; L628-Y663 HydrophobicContact CB-CE2 4.48Å; S661-Y663 WeakPolarHBondContact OG-CE2 3.47Å; S661-Y663 VanDerWaalsContact OG-CZ 3.27Å; S661-Y663 PolarHBondContact OG-OH 2.88Å; Y663-C665 VanDerWaalsContact C-N 3.33Å; Y663-C665 PolarHBondContact O-N 3.31Å; Y663-I708 HydrophobicContact CD1-CD1 4.42Å; Y663-I708 HydrophobicContact CD1-CG2 4.39Å; Y663-I708 HydrophobicContact CD2-CD1 4.21Å; Y663-I708 HydrophobicContact CE1-CG2 4.04Å; Y663-I708 HydrophobicContact CE2-CG2 4.17Å; Y663-I708 HydrophobicContact CG-CD1 4Å; Y663-K713 WeakPolarHBondContact CE1-O 3.43Å; Y663-K713 VanDerWaalsContact OH-C 3.26Å; Y663-K713 WeakPolarHBondContact OH-CA 3.43Å; Y663-K713 PolarHBondContact OH-O 3.23Å |
| 664 | R | 89.5 | Confident | 76.1 | Confident | 203 Ų | 203 | 54.2 Ų | 54.2 | 77% | 0.766 | 31% | 0.309 | S | S | * | . | trans | -92.7 | 69.9 | 173.1 | -66.8 | -174.9 | 176.5 | 85.2 | -2.8 | 109.2 | T625 | T625-R664 HydrophobicContact CG2-CG 4.11Š| ||
| 665 | C | 77.5 | Confident | 78.1 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | trans | -89.2 | -42.1 | -171.6 | -80.4 | 0 | 0 | 0 | 0 | 113 | Y663 W706 | Y663-C665 VanDerWaalsContact C-N 3.33Å; Y663-C665 PolarHBondContact O-N 3.31Å; C665-W706 HydrophobicContact CB-CB 4.38Å; C665-W706 HydrophobicContact CB-CD2 3.78Å; C665-W706 HydrophobicContact CB-CG 3.7Å; C665-W706 HydrophobicContact CB-CZ2 4.33Å; C665-W706 VanDerWaalsContact O-CZ2 3.31Å; C665-W706 WeakPolarHBondContact O-CZ2 3.48Å; C665-W706 PolarHBondContact O-NE1 3.49Å | ||
| 666 | H | 84.6 | Confident | 79.9 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | trans | -97 | 153 | -171.3 | -57.1 | -73 | 0 | 0 | 0 | 111.8 | F624 S668 S698 F699 G700 S704 W706 | F624-H666 WeakPolarHBondContact CB-O 3.43Å; H666-S668 VanDerWaalsContact C-N 3.27Å; H666-S668 WeakPolarHBondContact CB-O 3.32Å; H666-S698 PolarHBondContact CE1-O 3.37Å; H666-S698 WeakPolarHBondContact NE2-CB 3.48Å; H666-S698 PolarHBondContact NE2-OG 2.77Å; H666-F699 VanDerWaalsContact CE1-C 3.4Å; H666-G700 PolarHBondContact CE1-N 3.07Å; H666-G700 VanDerWaalsContact CE1-N 3.26Å; H666-G700 WeakPolarHBondContact ND1-CA 3.44Å; H666-G700 PolarHBondContact ND1-N 3.28Å; H666-S704 PolarHBondContact ND1-OG 2.93Å; H666-W706 AromaticContact CE1-CD1 3.56Å; H666-W706 AromaticContact ND1-CD1 3.81Å | ||
| 667 | A | 85.1 | Confident | 81.2 | Confident | 72 Ų | 72 | 35.5 Ų | 35.5 | 60% | 0.595 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -94.8 | 16.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 668 | S | 82.9 | Confident | 81.8 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -165.6 | 164 | -167.8 | -162.4 | 0 | 0 | 0 | 0 | 108.6 | F624 H666 | F624-S668 WeakPolarHBondContact CB-O 3.46Å; H666-S668 VanDerWaalsContact C-N 3.27Å; H666-S668 WeakPolarHBondContact CB-O 3.32Å |
| 669 | P | 83.3 | Confident | 81.1 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.078 | 18% | 0.184 | C | C | . | . | trans | -54.3 | 140.3 | -176 | -30.2 | 38.6 | 0 | 0 | 0 | 113.6 | M622 F624 I671 G700 A701 | M622-P669 HydrophobicContact CE-CG 3.62Å; M622-P669 HydrophobicContact CG-CG 4.48Å; M622-P669 HydrophobicContact SD-CB 3.84Å; M622-P669 HydrophobicContact SD-CG 3.38Å; M622-P669 WeakPolarHBondContact SD-CG 3.27Å; F624-P669 HydrophobicContact CD1-CG 4.11Å; F624-P669 VanDerWaalsContact CD1-N 3.33Å; F624-P669 HydrophobicContact CE1-CG 3.95Å; P669-I671 PolarHBondContact O-N 3.34Å; P669-I671 VanDerWaalsContact O-N 3.13Å; P669-G700 WeakPolarHBondContact O-CA 3.4Å; P669-A701 PolarHBondContact O-N 3.09Å | ||
| 670 | C | 85 | Confident | 79.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 100.2 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | T566 G621 V626 G672 F699 | T566-C670 VanDerWaalsContact CB-O 3.28Å; T566-C670 WeakPolarHBondContact CB-O 3.4Å; T566-C670 PolarHBondContact OG1-O 2.98Å; G621-C670 PolarHBondContact O-N 3.15Å; V626-C670 HydrophobicContact CG2-CB 4.26Å; V626-C670 VanDerWaalsContact CG2-SG 3.56Å; C670-G672 PolarHBondContact SG-O 3.01Å; C670-F699 CarbonylContact C-O 3.55Å; C670-F699 WeakPolarHBondContact CA-O 3.25Å |
| 671 | I | 76.2 | Confident | 78.4 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -17.1 | -173.7 | 55.9 | 169.4 | 0 | 0 | 0 | 114 | P669 F699 A701 P729 Y784 S791 | P669-I671 PolarHBondContact O-N 3.34Å; P669-I671 VanDerWaalsContact O-N 3.13Å; I671-F699 HydrophobicContact CG1-CB 4.02Å; I671-F699 WeakPolarHBondContact CG1-O 3.33Å; I671-F699 PolarHBondContact N-O 2.88Å; I671-A701 HydrophobicContact CG2-CB 3.62Å; I671-P729 HydrophobicContact CD1-CB 4.48Å; I671-Y784 HydrophobicContact CD1-CD2 4.37Å; I671-S791 WeakPolarHBondContact O-CB 3.18Å |
| 672 | G | 77.3 | Confident | 76.8 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 163 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C670 F699 | C670-G672 PolarHBondContact SG-O 3.01Å; G672-F699 WeakPolarHBondContact O-CD2 3.39Å; G672-F699 PolarHBondContact O-N 2.91Å; G672-F699 VanDerWaalsContact O-N 3.09Å |
| 673 | L | 84 | Confident | 75 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137 | 176.8 | -70 | 170.5 | 0 | 0 | 0 | 109.3 | L569 L618 V626 I696 C697 S698 | L569-L673 HydrophobicContact CB-CB 3.74Å; L569-L673 HydrophobicContact CB-CD1 4.13Å; L569-L673 HydrophobicContact CD2-CB 4.04Å; L569-L673 HydrophobicContact CG-CB 4.49Å; L618-L673 HydrophobicContact CB-CD1 4.05Å; V626-L673 HydrophobicContact CG1-CD1 4.42Å; V626-L673 HydrophobicContact CG1-CD2 3.74Å; V626-L673 HydrophobicContact CG2-CD2 3.99Å; L673-I696 HydrophobicContact CD2-CD1 4.43Å; L673-C697 WeakPolarHBondContact CA-O 3.42Å; L673-S698 VanDerWaalsContact CD2-CB 3.48Å |
| 674 | T | 83 | Confident | 73.1 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 17% | 0.172 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 175 | 172.7 | -162.6 | 0 | 0 | 0 | 0 | 111.9 | I696 C697 F699 I733 T781 | T674-I696 CarbonylContact O-C 3.52Å; T674-I696 VanDerWaalsContact O-CA 3.28Å; T674-I696 WeakPolarHBondContact O-CA 3.21Å; T674-I696 VanDerWaalsContact O-CB 3.28Å; T674-I696 WeakPolarHBondContact O-CB 3.37Å; T674-C697 HydrophobicContact CG2-CB 3.95Å; T674-C697 PolarHBondContact N-O 2.9Å; T674-C697 PolarHBondContact O-N 3.17Å; T674-F699 HydrophobicContact CG2-CE2 3.6Å; T674-F699 HydrophobicContact CG2-CZ 3.65Å; T674-I733 HydrophobicContact CG2-CD1 4.4Å; T674-T781 HydrophobicContact CG2-CG2 3.74Å; T674-T781 WeakPolarHBondContact OG1-CG2 3.42Å |
| 675 | I | 80.9 | Confident | 71.4 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 151.2 | 176.3 | -48.8 | -178.9 | 0 | 0 | 0 | 109.6 | L569 P571 C574 F612 | L569-I675 HydrophobicContact CD1-CG1 4.21Å; L569-I675 HydrophobicContact CD2-CG1 4.21Å; P571-I675 HydrophobicContact CB-CD1 3.95Å; P571-I675 HydrophobicContact CB-CG1 4.34Å; P571-I675 WeakPolarHBondContact O-CD1 3.41Å; C574-I675 HydrophobicContact CB-CD1 3.59Å; F612-I675 HydrophobicContact CE2-CD1 4.32Å; F612-I675 HydrophobicContact CE2-CG2 3.54Å; F612-I675 HydrophobicContact CZ-CG2 3.5Å; F612-I675 VanDerWaalsContact CZ-CG2 3.5Å |
| 676 | G | 78 | Confident | 69.9 | Low | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | trans | -63.7 | -176.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T695 | G676-T695 PolarHBondContact N-O 3.05Š| ||
| 677 | P | 74.1 | Confident | 68.3 | Low | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | trans | -75.2 | 154.5 | -170.7 | 29.1 | -31.7 | 0 | 0 | 0 | 112.9 | L692 W735 L737 F779 | P677-L692 HydrophobicContact CG-CD1 4.48Å; P677-W735 HydrophobicContact CB-CD2 4.25Å; P677-W735 HydrophobicContact CB-CG 4.16Å; P677-W735 HydrophobicContact CG-CD2 3.81Å; P677-W735 HydrophobicContact CG-CE3 3.81Å; P677-W735 HydrophobicContact CG-CG 4.19Å; P677-W735 HydrophobicContact CG-CZ3 4.25Å; P677-L737 HydrophobicContact CB-CD1 4.08Å; P677-L737 HydrophobicContact CG-CD1 4.11Å; P677-L737 HydrophobicContact CG-CD2 3.83Å; P677-L737 HydrophobicContact CG-CG 4.39Å; P677-F779 HydrophobicContact CB-CD2 4.21Å; P677-F779 HydrophobicContact CB-CG 4.48Å | ||
| 678 | P | 64.2 | Low | 67 | Low | 47 Ų | 47 | 42.6 Ų | 42.6 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | trans | -69.5 | 140.4 | -170.3 | 25 | -32.4 | 0 | 0 | 0 | 113.8 | S680 S681 F779 | P678-S680 VanDerWaalsContact C-N 3.28Å; P678-S680 PolarHBondContact O-N 3.13Å; P678-S681 PolarHBondContact O-N 2.81Å; P678-S681 PolarHBondContact O-OG 3.1Å; P678-F779 HydrophobicContact CG-CD1 4.06Å; P678-F779 HydrophobicContact CG-CE1 3.69Å; P678-F779 HydrophobicContact CG-CZ 4.15Å | ||
| 679 | I | 58.2 | Low | 66.3 | Low | 43 Ų | 43 | 42 Ų | 42 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -36.8 | -175.3 | -75.7 | -175.9 | 0 | 0 | 0 | 113.7 | Q611 S681 V682 I683 | Q611-I679 HydrophobicContact CB-CD1 3.89Å; Q611-I679 HydrophobicContact CG-CD1 3.5Å; Q611-I679 HydrophobicContact CG-CG1 4.38Å; I679-S681 PolarHBondContact O-N 2.89Å; I679-V682 PolarHBondContact O-N 3.07Å; I679-I683 HydrophobicContact CG2-CD1 3.45Å; I679-I683 VanDerWaalsContact CG2-CD1 3.45Å; I679-I683 HydrophobicContact CG2-CG1 3.88Å; I679-I683 PolarHBondContact O-N 3.09Å |
| 680 | S | 58.4 | Low | 65.6 | Low | 82 Ų | 82 | 46.2 Ų | 46.2 | 57% | 0.573 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.8 | -21.5 | -176.5 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | P678 N684 | P678-S680 VanDerWaalsContact C-N 3.28Å; P678-S680 PolarHBondContact O-N 3.13Å; S680-N684 PolarHBondContact O-ND2 3.48Å |
| 681 | S | 54 | Low | 65.1 | Low | 18 Ų | 18 | 51.3 Ų | 51.3 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -87 | -48.1 | 170 | 7.6 | 0 | 0 | 0 | 0 | 111.7 | P678 I679 I683 N684 M685 F779 | P678-S681 PolarHBondContact O-N 2.81Å; P678-S681 PolarHBondContact O-OG 3.1Å; I679-S681 PolarHBondContact O-N 2.89Å; S681-I683 PolarHBondContact O-N 2.76Å; S681-N684 PolarHBondContact O-N 3.42Å; S681-M685 WeakPolarHBondContact O-CB 3.49Å; S681-M685 WeakPolarHBondContact O-CG 3.3Å; S681-M685 PolarHBondContact O-N 3.27Å; S681-F779 WeakPolarHBondContact OG-CE2 3.14Å; S681-F779 WeakPolarHBondContact OG-CZ 3.49Å |
| 682 | V | 54.9 | Low | 65.2 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | -176.5 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | I679 L737 | I679-V682 PolarHBondContact O-N 3.07Å; V682-L737 HydrophobicContact CG2-CD1 3.86Å |
| 683 | I | 53.5 | Low | 65 | Low | 128 Ų | 128 | 51.7 Ų | 51.7 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -30.7 | -177.2 | -68.1 | -177.2 | 0 | 0 | 0 | 113 | I679 S681 | I679-I683 HydrophobicContact CG2-CD1 3.45Å; I679-I683 VanDerWaalsContact CG2-CD1 3.45Å; I679-I683 HydrophobicContact CG2-CG1 3.88Å; I679-I683 PolarHBondContact O-N 3.09Å; S681-I683 PolarHBondContact O-N 2.76Å |
| 684 | N | 51.3 | Low | 64.8 | Low | 130 Ų | 130 | 52.2 Ų | 52.2 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.3 | -176.9 | -72.4 | -58.2 | 0 | 0 | 0 | 113.8 | S680 S681 | S680-N684 PolarHBondContact O-ND2 3.48Å; S681-N684 PolarHBondContact O-N 3.42Å |
| 685 | M | 53.1 | Low | 65 | Low | 54 Ų | 54 | 50.9 Ų | 50.9 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -99.2 | 132.2 | 174.3 | -70.4 | 175 | 59 | 0 | 0 | 110.2 | S681 A687 G688 L737 A738 | S681-M685 WeakPolarHBondContact O-CB 3.49Å; S681-M685 WeakPolarHBondContact O-CG 3.3Å; S681-M685 PolarHBondContact O-N 3.27Å; M685-A687 PolarHBondContact O-N 3.01Å; M685-G688 PolarHBondContact O-N 3.29Å; M685-G688 VanDerWaalsContact O-N 3.16Å; M685-L737 HydrophobicContact CE-CB 4.02Å; M685-L737 HydrophobicContact SD-CB 4.26Å; M685-A738 VanDerWaalsContact CE-CA 3.5Å; M685-A738 HydrophobicContact CE-CB 3.68Å; M685-A738 VanDerWaalsContact CE-N 3.3Å |
| 686 | V | 45.2 | Very low | 65.4 | Low | 161 Ų | 161 | 49.8 Ų | 49.8 | 98% | 0.976 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 2.3 | -163.5 | -176.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 687 | A | 52.4 | Low | 65.9 | Low | 73 Ų | 73 | 49.2 Ų | 49.2 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 1.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M685 N689 | M685-A687 PolarHBondContact O-N 3.01Å; A687-N689 PolarHBondContact O-N 2.95Å |
| 688 | G | 57.1 | Low | 66.7 | Low | 19 Ų | 19 | 49.1 Ų | 49.1 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | -61.5 | 123.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M685 P690 | M685-G688 PolarHBondContact O-N 3.29Å; M685-G688 VanDerWaalsContact O-N 3.16Å; G688-P690 WeakPolarHBondContact O-CD 3.27Å | ||
| 689 | N | 68.8 | Low | 67.8 | Low | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | trans | -61.8 | 118.5 | -178.7 | 179.9 | -18.8 | 0 | 0 | 0 | 112.6 | A687 R691 L692 N757 | A687-N689 PolarHBondContact O-N 2.95Å; N689-R691 PolarHBondContact O-N 3.16Å; N689-R691 VanDerWaalsContact OD1-CB 3.31Å; N689-R691 WeakPolarHBondContact OD1-CB 3.25Å; N689-R691 PolarHBondContact OD1-N 2.99Å; N689-L692 HydrophobicContact CB-CD1 4.37Å; N689-L692 HydrophobicContact CB-CG 4.49Å; N689-L692 PolarHBondContact O-N 3.35Å; N689-N757 PolarHBondContact ND2-OD1 3.31Å | ||
| 690 | P | 69 | Low | 69 | Low | 100 Ų | 100 | 45 Ų | 45 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -68.5 | -16.4 | -175.5 | 28 | -35.7 | 0 | 0 | 0 | 114.2 | G688 L692 S693 | G688-P690 WeakPolarHBondContact O-CD 3.27Å; P690-L692 PolarHBondContact O-N 3.37Å; P690-S693 VanDerWaalsContact O-CB 3.32Å; P690-S693 WeakPolarHBondContact O-CB 3.41Å; P690-S693 PolarHBondContact O-N 3.47Å; P690-S693 PolarHBondContact O-OG 3.05Å |
| 691 | R | 74.6 | Confident | 70 | Confident | 106 Ų | 106 | 42.5 Ų | 42.5 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.2 | -28.3 | 175.4 | -64.8 | -176.6 | -179.7 | 157.6 | 4.4 | 112.3 | N689 S693 T695 N709 | N689-R691 PolarHBondContact O-N 3.16Å; N689-R691 VanDerWaalsContact OD1-CB 3.31Å; N689-R691 WeakPolarHBondContact OD1-CB 3.25Å; N689-R691 PolarHBondContact OD1-N 2.99Å; R691-S693 PolarHBondContact O-N 2.94Å; R691-T695 PolarHBondContact O-OG1 3.49Å; R691-N709 PolarHBondContact O-ND2 3.22Å |
| 692 | L | 78.1 | Confident | 71.2 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -65.7 | -23.7 | 178.4 | -65.8 | 176.2 | 0 | 0 | 0 | 112.7 | P677 N689 P690 T694 T695 F716 W735 L737 I756 | P677-L692 HydrophobicContact CG-CD1 4.48Å; N689-L692 HydrophobicContact CB-CD1 4.37Å; N689-L692 HydrophobicContact CB-CG 4.49Å; N689-L692 PolarHBondContact O-N 3.35Å; P690-L692 PolarHBondContact O-N 3.37Å; L692-T694 PolarHBondContact O-N 3.43Å; L692-T695 WeakPolarHBondContact CA-OG1 3.05Å; L692-T695 PolarHBondContact O-N 3.25Å; L692-T695 VanDerWaalsContact O-N 3.15Å; L692-F716 HydrophobicContact CD2-CZ 4.26Å; L692-W735 HydrophobicContact CD2-CH2 4.46Å; L692-W735 HydrophobicContact CD2-CZ3 3.83Å; L692-L737 HydrophobicContact CD1-CD2 3.5Å; L692-L737 VanDerWaalsContact CD1-CD2 3.5Å; L692-I756 HydrophobicContact CD1-CD1 4.39Å; L692-I756 HydrophobicContact CD2-CG2 4.08Å |
| 693 | S | 72.9 | Confident | 72.4 | Confident | 34 Ų | 34 | 42 Ų | 42 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -57.6 | -18.7 | -177.1 | 66 | 0 | 0 | 0 | 0 | 115.9 | Q611 P690 R691 | Q611-S693 VanDerWaalsContact CG-O 3.22Å; Q611-S693 WeakPolarHBondContact CG-O 3.29Å; Q611-S693 PolarHBondContact NE2-O 3.4Å; P690-S693 VanDerWaalsContact O-CB 3.32Å; P690-S693 WeakPolarHBondContact O-CB 3.41Å; P690-S693 PolarHBondContact O-N 3.47Å; P690-S693 PolarHBondContact O-OG 3.05Å; R691-S693 PolarHBondContact O-N 2.94Å |
| 694 | T | 79.9 | Confident | 74.1 | Confident | 15 Ų | 15 | 36 Ų | 36 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -138.3 | 32.8 | 176.4 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | Q611 L692 N709 L710 K711 | Q611-T694 HydrophobicContact CG-CG2 4.46Å; Q611-T694 WeakPolarHBondContact O-CG2 3.48Å; L692-T694 PolarHBondContact O-N 3.43Å; T694-N709 PolarHBondContact OG1-ND2 3.46Å; T694-N709 PolarHBondContact OG1-OD1 3.08Å; T694-L710 PolarHBondContact O-N 3.22Å; T694-K711 HydrophobicContact CG2-CB 4.25Å; T694-K711 WeakPolarHBondContact OG1-CB 3.29Å |
| 695 | T | 87.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138 | -178.6 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | G676 R691 L692 L707 I708 F716 | G676-T695 PolarHBondContact N-O 3.05Å; R691-T695 PolarHBondContact O-OG1 3.49Å; L692-T695 WeakPolarHBondContact CA-OG1 3.05Å; L692-T695 PolarHBondContact O-N 3.25Å; L692-T695 VanDerWaalsContact O-N 3.15Å; T695-L707 HydrophobicContact CG2-CB 3.95Å; T695-L707 HydrophobicContact CG2-CD2 4.12Å; T695-L707 HydrophobicContact CG2-CG 4.46Å; T695-I708 WeakPolarHBondContact CA-O 3.49Å; T695-F716 HydrophobicContact CG2-CE1 3.94Å; T695-F716 HydrophobicContact CG2-CZ 4.02Å; T695-F716 VanDerWaalsContact OG1-CE1 3.29Å; T695-F716 WeakPolarHBondContact OG1-CE1 3.4Å; T695-F716 WeakPolarHBondContact OG1-CZ 3.35Å |
| 696 | I | 87.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 153.1 | 160.2 | 62.9 | 91.4 | 0 | 0 | 0 | 109.4 | L569 P571 F612 L618 L673 T674 I708 L710 | L569-I696 HydrophobicContact CD2-CB 4.23Å; L569-I696 HydrophobicContact CD2-CG2 4.01Å; P571-I696 HydrophobicContact CG-CG2 4.18Å; F612-I696 HydrophobicContact CE1-CG2 4.3Å; L618-I696 HydrophobicContact CD1-CB 4.3Å; L618-I696 HydrophobicContact CD1-CD1 4.02Å; L618-I696 HydrophobicContact CD1-CG1 3.76Å; L618-I696 HydrophobicContact CD1-CG2 4.08Å; L673-I696 HydrophobicContact CD2-CD1 4.43Å; T674-I696 CarbonylContact O-C 3.52Å; T674-I696 VanDerWaalsContact O-CA 3.28Å; T674-I696 WeakPolarHBondContact O-CA 3.21Å; T674-I696 VanDerWaalsContact O-CB 3.28Å; T674-I696 WeakPolarHBondContact O-CB 3.37Å; I696-I708 HydrophobicContact CD1-CB 3.88Å; I696-I708 HydrophobicContact CD1-CD1 4.06Å; I696-I708 HydrophobicContact CD1-CG1 4.38Å; I696-I708 HydrophobicContact CD1-CG2 4.5Å; I696-I708 HydrophobicContact CG1-CB 4.17Å; I696-I708 PolarHBondContact N-O 2.67Å; I696-I708 PolarHBondContact O-N 3.16Å; I696-L710 HydrophobicContact CG1-CD1 4.26Å; I696-L710 HydrophobicContact CG1-CD2 3.93Å; I696-L710 HydrophobicContact CG1-CG 4.04Å; I696-L710 HydrophobicContact CG2-CD1 3.78Å; I696-L710 HydrophobicContact CG2-CG 4.29Å |
| 697 | C | 90 | Very high | 80 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.8 | 177.5 | -40.5 | 0 | 0 | 0 | 0 | 109.6 | L673 T674 F699 W706 L707 I733 | L673-C697 WeakPolarHBondContact CA-O 3.42Å; T674-C697 HydrophobicContact CG2-CB 3.95Å; T674-C697 PolarHBondContact N-O 2.9Å; T674-C697 PolarHBondContact O-N 3.17Å; C697-F699 HydrophobicContact CB-CE1 4.18Å; C697-F699 HydrophobicContact CB-CE2 4.17Å; C697-F699 HydrophobicContact CB-CZ 3.63Å; C697-W706 CarbonylContact C-O 3.56Å; C697-W706 VanDerWaalsContact CA-O 3.24Å; C697-W706 WeakPolarHBondContact CA-O 3.16Å; C697-L707 HydrophobicContact CB-CD2 4.05Å; C697-L707 WeakPolarHBondContact SG-CD2 3.48Å; C697-I733 HydrophobicContact CB-CD1 4.35Å |
| 698 | S | 90 | Very high | 81.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.5 | 171 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | H666 L673 V705 W706 | H666-S698 PolarHBondContact CE1-O 3.37Å; H666-S698 WeakPolarHBondContact NE2-CB 3.48Å; H666-S698 PolarHBondContact NE2-OG 2.77Å; L673-S698 VanDerWaalsContact CD2-CB 3.48Å; S698-V705 WeakPolarHBondContact O-CA 3.31Å; S698-W706 PolarHBondContact N-O 3.14Å; S698-W706 PolarHBondContact O-N 3.03Å |
| 699 | F | 87.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.013 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.7 | -170.5 | -49.6 | -77.7 | 0 | 0 | 0 | 110.8 | H666 C670 I671 G672 T674 C697 S704 V705 V730 I733 V783 | H666-F699 VanDerWaalsContact CE1-C 3.4Å; C670-F699 CarbonylContact C-O 3.55Å; C670-F699 WeakPolarHBondContact CA-O 3.25Å; I671-F699 HydrophobicContact CG1-CB 4.02Å; I671-F699 WeakPolarHBondContact CG1-O 3.33Å; I671-F699 PolarHBondContact N-O 2.88Å; G672-F699 WeakPolarHBondContact O-CD2 3.39Å; G672-F699 PolarHBondContact O-N 2.91Å; G672-F699 VanDerWaalsContact O-N 3.09Å; T674-F699 HydrophobicContact CG2-CE2 3.6Å; T674-F699 HydrophobicContact CG2-CZ 3.65Å; C697-F699 HydrophobicContact CB-CE1 4.18Å; C697-F699 HydrophobicContact CB-CE2 4.17Å; C697-F699 HydrophobicContact CB-CZ 3.63Å; F699-S704 CarbonylContact C-O 3.59Å; F699-S704 WeakPolarHBondContact CA-O 3.24Å; F699-V705 HydrophobicContact CD1-CB 4.34Å; F699-V705 HydrophobicContact CD1-CG1 3.87Å; F699-V705 HydrophobicContact CD1-CG2 3.9Å; F699-V705 HydrophobicContact CE1-CG1 3.66Å; F699-V705 HydrophobicContact CE1-CG2 4.26Å; F699-V730 HydrophobicContact CD1-CG1 4.29Å; F699-I733 HydrophobicContact CE1-CD1 4.25Å; F699-I733 HydrophobicContact CE1-CG2 3.91Å; F699-I733 HydrophobicContact CZ-CD1 3.94Å; F699-I733 HydrophobicContact CZ-CG1 4.47Å; F699-V783 HydrophobicContact CB-CG1 3.81Å; F699-V783 HydrophobicContact CD1-CG1 3.67Å; F699-V783 HydrophobicContact CD1-CG2 4.12Å; F699-V783 HydrophobicContact CD2-CB 4.44Å; F699-V783 HydrophobicContact CD2-CG1 3.47Å; F699-V783 VanDerWaalsContact CD2-CG1 3.47Å; F699-V783 HydrophobicContact CD2-CG2 4.17Å; F699-V783 HydrophobicContact CE1-CG1 4.07Å; F699-V783 HydrophobicContact CE1-CG2 3.64Å; F699-V783 HydrophobicContact CE2-CB 4.4Å; F699-V783 HydrophobicContact CE2-CG1 3.89Å; F699-V783 HydrophobicContact CE2-CG2 3.68Å; F699-V783 HydrophobicContact CG-CG1 3.35Å; F699-V783 HydrophobicContact CG-CG2 4.38Å; F699-V783 HydrophobicContact CZ-CB 4.45Å; F699-V783 HydrophobicContact CZ-CG1 4.18Å; F699-V783 HydrophobicContact CZ-CG2 3.39Å |
| 700 | G | 84.5 | Confident | 84 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 149.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | H666 P669 D702 G703 S704 | H666-G700 PolarHBondContact CE1-N 3.07Å; H666-G700 VanDerWaalsContact CE1-N 3.26Å; H666-G700 WeakPolarHBondContact ND1-CA 3.44Å; H666-G700 PolarHBondContact ND1-N 3.28Å; P669-G700 WeakPolarHBondContact O-CA 3.4Å; G700-D702 PolarHBondContact O-N 3.02Å; G700-D702 VanDerWaalsContact O-N 3.07Å; G700-G703 PolarHBondContact O-N 3.3Å; G700-S704 PolarHBondContact N-O 3.47Å |
| 701 | A | 78.5 | Confident | 84.6 | Confident | 30 Ų | 30 | 20.9 Ų | 20.9 | 25% | 0.248 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P669 I671 G703 | P669-A701 PolarHBondContact O-N 3.09Å; I671-A701 HydrophobicContact CG2-CB 3.62Å; A701-G703 VanDerWaalsContact C-N 3.3Å |
| 702 | D | 79.3 | Confident | 85 | Confident | 11 Ų | 11 | 19.6 Ų | 19.6 | 6% | 0.059 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 8.1 | 175.2 | 66.2 | -15.7 | 0 | 0 | 0 | 114.6 | G700 S704 R720 | G700-D702 PolarHBondContact O-N 3.02Å; G700-D702 VanDerWaalsContact O-N 3.07Å; D702-S704 WeakPolarHBondContact OD1-CB 3.43Å; D702-S704 PolarHBondContact OD1-N 2.77Å; D702-S704 PolarHBondContact OD1-OG 2.89Å; D702-R720 IonicContact OD2-CZ 2.97Å; D702-R720 IonicContact OD2-NH1 2.73Å; D702-R720 PolarHBondContact OD2-NH1 3.17Å; D702-R720 IonicContact OD2-NH2 3.73Å |
| 703 | G | 80.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 80.9 | 10.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G700 A701 C728 | G700-G703 PolarHBondContact O-N 3.3Å; A701-G703 VanDerWaalsContact C-N 3.3Å; G703-C728 VanDerWaalsContact CA-O 3.3Å; G703-C728 WeakPolarHBondContact CA-O 3.22Å |
| 704 | S | 88 | Confident | 85.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 142.5 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | H666 F699 G700 D702 | H666-S704 PolarHBondContact ND1-OG 2.93Å; F699-S704 CarbonylContact C-O 3.59Å; F699-S704 WeakPolarHBondContact CA-O 3.24Å; G700-S704 PolarHBondContact N-O 3.47Å; D702-S704 WeakPolarHBondContact OD1-CB 3.43Å; D702-S704 PolarHBondContact OD1-N 2.77Å; D702-S704 PolarHBondContact OD1-OG 2.89Å |
| 705 | V | 91.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.9 | 176 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | S698 F699 A719 V730 I744 | S698-V705 WeakPolarHBondContact O-CA 3.31Å; F699-V705 HydrophobicContact CD1-CB 4.34Å; F699-V705 HydrophobicContact CD1-CG1 3.87Å; F699-V705 HydrophobicContact CD1-CG2 3.9Å; F699-V705 HydrophobicContact CE1-CG1 3.66Å; F699-V705 HydrophobicContact CE1-CG2 4.26Å; V705-A719 HydrophobicContact CB-CB 4.35Å; V705-A719 PolarHBondContact N-O 2.75Å; V705-A719 PolarHBondContact O-N 2.91Å; V705-V730 HydrophobicContact CG2-CB 4.49Å; V705-V730 HydrophobicContact CG2-CG1 4.3Å; V705-V730 HydrophobicContact CG2-CG2 3.72Å; V705-I744 HydrophobicContact CB-CD1 4.09Å; V705-I744 HydrophobicContact CG2-CD1 3.87Å; V705-I744 HydrophobicContact CG2-CG2 3.94Å |
| 706 | W | 92.1 | Very high | 85.9 | Confident | 50 Ų | 50 | 31.8 Ų | 31.8 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140.8 | 173.9 | -73.7 | 80.2 | 0 | 0 | 0 | 111.4 | C665 H666 C697 S698 P715 L717 Y718 | C665-W706 HydrophobicContact CB-CB 4.38Å; C665-W706 HydrophobicContact CB-CD2 3.78Å; C665-W706 HydrophobicContact CB-CG 3.7Å; C665-W706 HydrophobicContact CB-CZ2 4.33Å; C665-W706 VanDerWaalsContact O-CZ2 3.31Å; C665-W706 WeakPolarHBondContact O-CZ2 3.48Å; C665-W706 PolarHBondContact O-NE1 3.49Å; H666-W706 AromaticContact CE1-CD1 3.56Å; H666-W706 AromaticContact ND1-CD1 3.81Å; C697-W706 CarbonylContact C-O 3.56Å; C697-W706 VanDerWaalsContact CA-O 3.24Å; C697-W706 WeakPolarHBondContact CA-O 3.16Å; S698-W706 PolarHBondContact N-O 3.14Å; S698-W706 PolarHBondContact O-N 3.03Å; W706-P715 HydrophobicContact CE3-CB 3.49Å; W706-P715 VanDerWaalsContact CE3-CB 3.49Å; W706-P715 HydrophobicContact CE3-CG 4.28Å; W706-P715 HydrophobicContact CZ3-CB 3.66Å; W706-P715 HydrophobicContact CZ3-CG 4.02Å; W706-L717 WeakPolarHBondContact CA-O 3.26Å; W706-Y718 AromaticContact CD1-CD2 3.8Å; W706-Y718 AromaticContact CD2-CD2 3.83Å; W706-Y718 HydrophobicContact CD2-CD2 3.83Å; W706-Y718 HydrophobicContact CD2-CG 4.3Å; W706-Y718 AromaticContact CE2-CD2 3.26Å; W706-Y718 AromaticContact CE2-CE2 3.87Å; W706-Y718 AromaticContact CE2-CG 3.89Å; W706-Y718 HydrophobicContact CG-CD2 4.19Å; W706-Y718 HydrophobicContact CH2-CD2 4.39Å; W706-Y718 HydrophobicContact CH2-CG 4.22Å; W706-Y718 AromaticContact CZ2-CD2 3.61Å; W706-Y718 HydrophobicContact CZ2-CD2 3.61Å; W706-Y718 HydrophobicContact CZ2-CE2 4.09Å; W706-Y718 AromaticContact CZ2-CG 3.87Å; W706-Y718 HydrophobicContact CZ2-CG 3.87Å; W706-Y718 AromaticContact NE1-CD2 3.23Å; W706-Y718 AromaticContact NE1-CE2 3.52Å |
| 707 | L | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.1 | 167.3 | -55.9 | -174.1 | 0 | 0 | 0 | 109.7 | T695 C697 P715 F716 L717 W735 L742 I756 | T695-L707 HydrophobicContact CG2-CB 3.95Å; T695-L707 HydrophobicContact CG2-CD2 4.12Å; T695-L707 HydrophobicContact CG2-CG 4.46Å; C697-L707 HydrophobicContact CB-CD2 4.05Å; C697-L707 WeakPolarHBondContact SG-CD2 3.48Å; L707-P715 CarbonylContact O-C 3.56Å; L707-P715 VanDerWaalsContact O-CA 3.3Å; L707-P715 WeakPolarHBondContact O-CA 3.29Å; L707-F716 HydrophobicContact CB-CD1 4.24Å; L707-F716 HydrophobicContact CB-CE1 3.65Å; L707-F716 HydrophobicContact CB-CE2 4.05Å; L707-F716 HydrophobicContact CB-CZ 3.54Å; L707-F716 HydrophobicContact CD1-CE2 3.91Å; L707-F716 HydrophobicContact CD1-CZ 3.8Å; L707-F716 HydrophobicContact CG-CZ 4.33Å; L707-F716 WeakPolarHBondContact O-CD1 3.21Å; L707-F716 PolarHBondContact O-N 3.15Å; L707-L717 HydrophobicContact CB-CB 4.02Å; L707-L717 HydrophobicContact CD1-CB 3.96Å; L707-L717 HydrophobicContact CD1-CD1 4.23Å; L707-L717 HydrophobicContact CD1-CD2 4.24Å; L707-L717 HydrophobicContact CD1-CG 4.38Å; L707-L717 HydrophobicContact CG-CB 4Å; L707-L717 HydrophobicContact CG-CD2 4.09Å; L707-L717 PolarHBondContact N-O 3.18Å; L707-W735 HydrophobicContact CD1-CH2 4.32Å; L707-W735 HydrophobicContact CD1-CZ3 4.37Å; L707-W735 HydrophobicContact CD2-CH2 3.84Å; L707-L742 HydrophobicContact CD1-CD2 4.39Å; L707-L742 HydrophobicContact CD2-CD2 4.46Å; L707-I756 HydrophobicContact CD1-CG2 4.48Å |
| 708 | I | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.5 | -178.4 | -57.8 | 172.4 | 0 | 0 | 0 | 108.5 | Y663 T695 I696 L710 P715 | Y663-I708 HydrophobicContact CD1-CD1 4.42Å; Y663-I708 HydrophobicContact CD1-CG2 4.39Å; Y663-I708 HydrophobicContact CD2-CD1 4.21Å; Y663-I708 HydrophobicContact CE1-CG2 4.04Å; Y663-I708 HydrophobicContact CE2-CG2 4.17Å; Y663-I708 HydrophobicContact CG-CD1 4Å; T695-I708 WeakPolarHBondContact CA-O 3.49Å; I696-I708 HydrophobicContact CD1-CB 3.88Å; I696-I708 HydrophobicContact CD1-CD1 4.06Å; I696-I708 HydrophobicContact CD1-CG1 4.38Å; I696-I708 HydrophobicContact CD1-CG2 4.5Å; I696-I708 HydrophobicContact CG1-CB 4.17Å; I696-I708 PolarHBondContact N-O 2.67Å; I696-I708 PolarHBondContact O-N 3.16Å; I708-L710 HydrophobicContact CG2-CD2 4.36Å; I708-P715 HydrophobicContact CG1-CB 4.33Å |
| 709 | N | 88 | Confident | 85.7 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119 | 172 | -177.1 | -68.3 | 0 | 0 | 0 | 109.4 | R691 T694 K711 E712 K713 R714 F716 | R691-N709 PolarHBondContact O-ND2 3.22Å; T694-N709 PolarHBondContact OG1-ND2 3.46Å; T694-N709 PolarHBondContact OG1-OD1 3.08Å; N709-K711 WeakPolarHBondContact OD1-CA 3.44Å; N709-K711 WeakPolarHBondContact OD1-CB 3.38Å; N709-K711 PolarHBondContact OD1-N 3.17Å; N709-E712 HydrophobicContact CB-CB 4.29Å; N709-E712 HydrophobicContact CB-CG 4.47Å; N709-E712 PolarHBondContact OD1-N 3.25Å; N709-K713 VanDerWaalsContact O-CA 3.29Å; N709-K713 WeakPolarHBondContact O-CA 3.34Å; N709-K713 PolarHBondContact O-N 2.7Å; N709-R714 PolarHBondContact N-O 3.09Å; N709-R714 PolarHBondContact O-N 3.02Å; N709-F716 HydrophobicContact CB-CD1 3.94Å; N709-F716 HydrophobicContact CB-CE1 4.05Å |
| 710 | L | 84.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.7 | -175.7 | -64.6 | -178.8 | 0 | 0 | 0 | 113.9 | P571 F612 L618 L628 T694 I696 I708 K713 | P571-L710 HydrophobicContact CG-CD1 4.07Å; F612-L710 HydrophobicContact CD1-CD1 3.91Å; F612-L710 HydrophobicContact CE1-CD1 3.96Å; L618-L710 HydrophobicContact CD1-CD1 4.06Å; L618-L710 HydrophobicContact CD1-CD2 4.23Å; L618-L710 HydrophobicContact CD2-CD2 4.2Å; L628-L710 HydrophobicContact CD1-CD2 4.47Å; T694-L710 PolarHBondContact O-N 3.22Å; I696-L710 HydrophobicContact CG1-CD1 4.26Å; I696-L710 HydrophobicContact CG1-CD2 3.93Å; I696-L710 HydrophobicContact CG1-CG 4.04Å; I696-L710 HydrophobicContact CG2-CD1 3.78Å; I696-L710 HydrophobicContact CG2-CG 4.29Å; I708-L710 HydrophobicContact CG2-CD2 4.36Å; L710-K713 WeakPolarHBondContact O-CG 3.33Å |
| 711 | K | 80.6 | Confident | 84.7 | Confident | 172 Ų | 172 | 41.4 Ų | 41.4 | 75% | 0.748 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -41.1 | 178 | -174.6 | 174.9 | -178.1 | 173.5 | 0 | 111.7 | T694 N709 K713 | T694-K711 HydrophobicContact CG2-CB 4.25Å; T694-K711 WeakPolarHBondContact OG1-CB 3.29Å; N709-K711 WeakPolarHBondContact OD1-CA 3.44Å; N709-K711 WeakPolarHBondContact OD1-CB 3.38Å; N709-K711 PolarHBondContact OD1-N 3.17Å; K711-K713 VanDerWaalsContact C-N 3.29Å |
| 712 | E | 82.6 | Confident | 84 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.1 | 170.8 | -58.4 | -172.6 | 141.5 | 0 | 0 | 112.7 | N709 R714 | N709-E712 HydrophobicContact CB-CB 4.29Å; N709-E712 HydrophobicContact CB-CG 4.47Å; N709-E712 PolarHBondContact OD1-N 3.25Å; E712-R714 HydrophobicContact CB-CG 3.85Å; E712-R714 PolarHBondContact O-N 3.29Å; E712-R714 IonicContact OE1-CZ 2.81Å; E712-R714 IonicContact OE1-NE 3.77Å; E712-R714 IonicContact OE1-NH2 3.19Å; E712-R714 PolarHBondContact OE1-NH2 3.39Å; E712-R714 IonicContact OE2-CZ 2.79Å; E712-R714 VanDerWaalsContact OE2-CZ 3.27Å; E712-R714 IonicContact OE2-NE 2.91Å; E712-R714 PolarHBondContact OE2-NE 2.99Å; E712-R714 IonicContact OE2-NH2 3.9Å; E712-R714 PolarHBondContact OE2-NH2 3.21Å |
| 713 | K | 82.3 | Confident | 83 | Confident | 95 Ų | 95 | 47.2 Ų | 47.2 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 28.6 | -174.9 | -66.4 | -170.6 | 174.3 | -172.6 | 0 | 114.8 | Y663 N709 L710 K711 | Y663-K713 WeakPolarHBondContact CE1-O 3.43Å; Y663-K713 VanDerWaalsContact OH-C 3.26Å; Y663-K713 WeakPolarHBondContact OH-CA 3.43Å; Y663-K713 PolarHBondContact OH-O 3.23Å; N709-K713 VanDerWaalsContact O-CA 3.29Å; N709-K713 WeakPolarHBondContact O-CA 3.34Å; N709-K713 PolarHBondContact O-N 2.7Å; L710-K713 WeakPolarHBondContact O-CG 3.33Å; K711-K713 VanDerWaalsContact C-N 3.29Å |
| 714 | R | 83 | Confident | 81.5 | Confident | 120 Ų | 120 | 54.9 Ų | 54.9 | 45% | 0.453 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.6 | -178 | 66.7 | 179.5 | 174.2 | -177.5 | -6.4 | 113.2 | N709 E712 | N709-R714 PolarHBondContact N-O 3.09Å; N709-R714 PolarHBondContact O-N 3.02Å; E712-R714 HydrophobicContact CB-CG 3.85Å; E712-R714 PolarHBondContact O-N 3.29Å; E712-R714 IonicContact OE1-CZ 2.81Å; E712-R714 IonicContact OE1-NE 3.77Å; E712-R714 IonicContact OE1-NH2 3.19Å; E712-R714 PolarHBondContact OE1-NH2 3.39Å; E712-R714 IonicContact OE2-CZ 2.79Å; E712-R714 VanDerWaalsContact OE2-CZ 3.27Å; E712-R714 IonicContact OE2-NE 2.91Å; E712-R714 PolarHBondContact OE2-NE 2.99Å; E712-R714 IonicContact OE2-NH2 3.9Å; E712-R714 PolarHBondContact OE2-NH2 3.21Å |
| 715 | P | 85.3 | Confident | 79.5 | Confident | 46 Ų | 46 | 62 Ų | 62 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 149.4 | 157.6 | 29.1 | -33 | 0 | 0 | 0 | 110.8 | W706 L707 I708 | W706-P715 HydrophobicContact CE3-CB 3.49Å; W706-P715 VanDerWaalsContact CE3-CB 3.49Å; W706-P715 HydrophobicContact CE3-CG 4.28Å; W706-P715 HydrophobicContact CZ3-CB 3.66Å; W706-P715 HydrophobicContact CZ3-CG 4.02Å; L707-P715 CarbonylContact O-C 3.56Å; L707-P715 VanDerWaalsContact O-CA 3.3Å; L707-P715 WeakPolarHBondContact O-CA 3.29Å; I708-P715 HydrophobicContact CG1-CB 4.33Å |
| 716 | F | 86.5 | Confident | 77.6 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | -12.2 | 174.3 | 70 | -89.5 | 0 | 0 | 0 | 114.7 | L692 T695 L707 N709 I756 | L692-F716 HydrophobicContact CD2-CZ 4.26Å; T695-F716 HydrophobicContact CG2-CE1 3.94Å; T695-F716 HydrophobicContact CG2-CZ 4.02Å; T695-F716 VanDerWaalsContact OG1-CE1 3.29Å; T695-F716 WeakPolarHBondContact OG1-CE1 3.4Å; T695-F716 WeakPolarHBondContact OG1-CZ 3.35Å; L707-F716 HydrophobicContact CB-CD1 4.24Å; L707-F716 HydrophobicContact CB-CE1 3.65Å; L707-F716 HydrophobicContact CB-CE2 4.05Å; L707-F716 HydrophobicContact CB-CZ 3.54Å; L707-F716 HydrophobicContact CD1-CE2 3.91Å; L707-F716 HydrophobicContact CD1-CZ 3.8Å; L707-F716 HydrophobicContact CG-CZ 4.33Å; L707-F716 WeakPolarHBondContact O-CD1 3.21Å; L707-F716 PolarHBondContact O-N 3.15Å; N709-F716 HydrophobicContact CB-CD1 3.94Å; N709-F716 HydrophobicContact CB-CE1 4.05Å; F716-I756 HydrophobicContact CE2-CG2 4.24Å |
| 717 | L | 87.7 | Confident | 76.3 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.1 | 170.9 | -175.5 | 148.6 | 0 | 0 | 0 | 109.8 | W706 L707 A719 L742 | W706-L717 WeakPolarHBondContact CA-O 3.26Å; L707-L717 HydrophobicContact CB-CB 4.02Å; L707-L717 HydrophobicContact CD1-CB 3.96Å; L707-L717 HydrophobicContact CD1-CD1 4.23Å; L707-L717 HydrophobicContact CD1-CD2 4.24Å; L707-L717 HydrophobicContact CD1-CG 4.38Å; L707-L717 HydrophobicContact CG-CB 4Å; L707-L717 HydrophobicContact CG-CD2 4.09Å; L707-L717 PolarHBondContact N-O 3.18Å; L717-A719 HydrophobicContact CD2-CB 3.91Å; L717-L742 HydrophobicContact CD2-CD2 4.21Å |
| 718 | Y | 89 | Confident | 75.4 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.1 | 171.6 | 167.1 | -123.6 | 0 | 0 | 0 | 108.1 | W706 R720 | W706-Y718 AromaticContact CD1-CD2 3.8Å; W706-Y718 AromaticContact CD2-CD2 3.83Å; W706-Y718 HydrophobicContact CD2-CD2 3.83Å; W706-Y718 HydrophobicContact CD2-CG 4.3Å; W706-Y718 AromaticContact CE2-CD2 3.26Å; W706-Y718 AromaticContact CE2-CE2 3.87Å; W706-Y718 AromaticContact CE2-CG 3.89Å; W706-Y718 HydrophobicContact CG-CD2 4.19Å; W706-Y718 HydrophobicContact CH2-CD2 4.39Å; W706-Y718 HydrophobicContact CH2-CG 4.22Å; W706-Y718 AromaticContact CZ2-CD2 3.61Å; W706-Y718 HydrophobicContact CZ2-CD2 3.61Å; W706-Y718 HydrophobicContact CZ2-CE2 4.09Å; W706-Y718 AromaticContact CZ2-CG 3.87Å; W706-Y718 HydrophobicContact CZ2-CG 3.87Å; W706-Y718 AromaticContact NE1-CD2 3.23Å; W706-Y718 AromaticContact NE1-CE2 3.52Å; Y718-R720 HydrophobicContact CE2-CB 4.29Å; Y718-R720 VanDerWaalsContact OH-CD 3.26Å; Y718-R720 WeakPolarHBondContact OH-CD 3.28Å |
| 719 | A | 87.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V705 L717 I744 W754 | V705-A719 HydrophobicContact CB-CB 4.35Å; V705-A719 PolarHBondContact N-O 2.75Å; V705-A719 PolarHBondContact O-N 2.91Å; L717-A719 HydrophobicContact CD2-CB 3.91Å; A719-I744 HydrophobicContact CB-CD1 3.42Å; A719-I744 VanDerWaalsContact CB-CD1 3.42Å; A719-W754 HydrophobicContact CB-CD2 3.54Å; A719-W754 VanDerWaalsContact CB-CE2 3.45Å; A719-W754 HydrophobicContact CB-CE3 3.87Å; A719-W754 HydrophobicContact CB-CG 4.06Å; A719-W754 HydrophobicContact CB-CH2 4.08Å; A719-W754 HydrophobicContact CB-CZ2 3.76Å; A719-W754 HydrophobicContact CB-CZ3 4.12Å |
| 720 | R | 80.1 | Confident | 74.2 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 136 | 178.3 | -176.6 | -179.5 | -177.7 | 133 | 8.8 | 109.5 | D702 Y718 W754 | D702-R720 IonicContact OD2-CZ 2.97Å; D702-R720 IonicContact OD2-NH1 2.73Å; D702-R720 PolarHBondContact OD2-NH1 3.17Å; D702-R720 IonicContact OD2-NH2 3.73Å; Y718-R720 HydrophobicContact CE2-CB 4.29Å; Y718-R720 VanDerWaalsContact OH-CD 3.26Å; Y718-R720 WeakPolarHBondContact OH-CD 3.28Å; R720-W754 VanDerWaalsContact N-CZ2 3.33Å; R720-W754 WeakPolarHBondContact O-CZ2 3.29Å |
| 721 | N | 70.5 | Confident | 73.8 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | trans | -65.7 | 133.6 | 171.7 | -170.1 | -2.8 | 0 | 0 | 0 | 110.8 | S723 Y746 T752 | N721-S723 VanDerWaalsContact CG-OG 3.29Å; N721-S723 PolarHBondContact ND2-OG 2.79Å; N721-S723 PolarHBondContact OD1-N 3.18Å; N721-S723 PolarHBondContact OD1-OG 3.32Å; N721-S723 VanDerWaalsContact OD1-OG 3.12Å; N721-Y746 HydrophobicContact CB-CE1 4.05Å; N721-Y746 HydrophobicContact CB-CE2 4.27Å; N721-Y746 PolarHBondContact N-OH 2.97Å; N721-T752 HydrophobicContact CB-CG2 4.24Å | ||
| 722 | T | 63.1 | Low | 73.9 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | trans | -101.3 | 2.4 | -178.6 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | N724 | T722-N724 PolarHBondContact O-N 3.44Š| ||
| 723 | S | 59.1 | Low | 74.1 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | trans | -64.3 | 117.6 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | N721 L725 | N721-S723 VanDerWaalsContact CG-OG 3.29Å; N721-S723 PolarHBondContact ND2-OG 2.79Å; N721-S723 PolarHBondContact OD1-N 3.18Å; N721-S723 PolarHBondContact OD1-OG 3.32Å; N721-S723 VanDerWaalsContact OD1-OG 3.12Å; S723-L725 PolarHBondContact O-N 3.15Å | ||
| 724 | N | 48.4 | Very low | 74.4 | Confident | 164 Ų | 164 | 54.1 Ų | 54.1 | 88% | 0.877 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -68.4 | 17.5 | -164.4 | -77.5 | -40.8 | 0 | 0 | 0 | 117.6 | T722 | T722-N724 PolarHBondContact O-N 3.44Š|
| 725 | L | 46.6 | Very low | 74.5 | Confident | 150 Ų | 150 | 48.4 Ų | 48.4 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -129.3 | 104.3 | -180 | -71.9 | 96.2 | 0 | 0 | 0 | 112.5 | S723 | S723-L725 PolarHBondContact O-N 3.15Š|
| 726 | S | 51.9 | Low | 74.6 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 75% | 0.748 | 26% | 0.264 | S | S | * | . | trans | 68.4 | 145.5 | 177.6 | 80.4 | 0 | 0 | 0 | 0 | 116.6 | C728 | S726-C728 PolarHBondContact O-N 3.46Š| ||
| 727 | S | 64.3 | Low | 74.2 | Confident | 75 Ų | 75 | 45.7 Ų | 45.7 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | trans | -85.2 | 87.4 | 175.8 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 728 | C | 71.8 | Confident | 73.7 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | trans | -73.6 | 128.7 | -179.4 | -158.5 | 0 | 0 | 0 | 0 | 111.2 | G703 S726 L747 D748 | G703-C728 VanDerWaalsContact CA-O 3.3Å; G703-C728 WeakPolarHBondContact CA-O 3.22Å; S726-C728 PolarHBondContact O-N 3.46Å; C728-L747 PolarHBondContact SG-N 3.15Å; C728-L747 VanDerWaalsContact SG-N 3.39Å; C728-D748 WeakPolarHBondContact CB-OD2 3.46Å; C728-D748 PolarHBondContact SG-N 3.32Å; C728-D748 PolarHBondContact SG-OD2 3.45Å | ||
| 729 | P | 73.1 | Confident | 73.4 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | trans | -73.3 | 148.1 | -179.9 | 29.2 | -34 | 0 | 0 | 0 | 112 | I671 V731 Y746 L747 Y784 | I671-P729 HydrophobicContact CD1-CB 4.48Å; P729-V731 PolarHBondContact O-N 2.84Å; P729-Y746 WeakPolarHBondContact O-CA 3.31Å; P729-L747 HydrophobicContact CG-CB 3.93Å; P729-L747 HydrophobicContact CG-CD2 3.79Å; P729-L747 PolarHBondContact O-N 3.46Å; P729-Y784 HydrophobicContact CB-CD1 4.38Å; P729-Y784 HydrophobicContact CB-CD2 4.16Å; P729-Y784 HydrophobicContact CB-CE2 4.45Å; P729-Y784 HydrophobicContact CB-CG 4.13Å; P729-Y784 HydrophobicContact CG-CD1 4.13Å; P729-Y784 HydrophobicContact CG-CE1 4.07Å; P729-Y784 HydrophobicContact CG-CE2 4.46Å; P729-Y784 HydrophobicContact CG-CG 4.37Å | ||
| 730 | V | 80.2 | Confident | 73.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 114.1 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | F699 V705 I733 I744 N745 Y746 V783 Y784 | F699-V730 HydrophobicContact CD1-CG1 4.29Å; V705-V730 HydrophobicContact CG2-CB 4.49Å; V705-V730 HydrophobicContact CG2-CG1 4.3Å; V705-V730 HydrophobicContact CG2-CG2 3.72Å; V730-I733 HydrophobicContact CG1-CG2 4.18Å; V730-I744 HydrophobicContact CB-CG2 4.31Å; V730-I744 HydrophobicContact CG1-CG2 3.59Å; V730-I744 HydrophobicContact CG2-CG2 3.73Å; V730-N745 CarbonylContact C-O 3.59Å; V730-Y746 HydrophobicContact CG2-CD1 3.76Å; V730-Y746 HydrophobicContact CG2-CE1 3.5Å; V730-V783 HydrophobicContact CB-CG1 4.37Å; V730-V783 HydrophobicContact CG1-CB 4.24Å; V730-V783 HydrophobicContact CG1-CG1 4.18Å; V730-V783 HydrophobicContact CG1-CG2 4.31Å; V730-V783 WeakPolarHBondContact O-CB 3.32Å; V730-V783 VanDerWaalsContact O-CG1 3.28Å; V730-V783 WeakPolarHBondContact O-CG1 3.48Å; V730-Y784 WeakPolarHBondContact O-CB 3.33Å; V730-Y784 PolarHBondContact O-N 3.34Å |
| 731 | V | 77 | Confident | 73.7 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -44.8 | 179.3 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | P729 N745 L747 V783 Y784 T834 | P729-V731 PolarHBondContact O-N 2.84Å; V731-N745 PolarHBondContact N-O 3.36Å; V731-L747 VanDerWaalsContact CG2-CA 3.48Å; V731-L747 HydrophobicContact CG2-CB 3.85Å; V731-L747 HydrophobicContact CG2-CD1 3.95Å; V731-V783 PolarHBondContact O-N 2.9Å; V731-Y784 HydrophobicContact CG2-CD1 4.42Å; V731-Y784 PolarHBondContact O-N 3.41Å; V731-Y784 VanDerWaalsContact O-N 3.11Å; V731-T834 HydrophobicContact CG1-CG2 3.58Å |
| 732 | A | 81.9 | Confident | 74.7 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 161.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | N745 F774 I780 T781 E782 | A732-N745 HydrophobicContact CB-CB 4.45Å; A732-N745 PolarHBondContact N-O 3.08Å; A732-N745 PolarHBondContact O-N 3.33Å; A732-F774 HydrophobicContact CB-CE1 3.93Å; A732-F774 HydrophobicContact CB-CZ 3.67Å; A732-I780 HydrophobicContact CB-CG2 4.42Å; A732-T781 WeakPolarHBondContact CA-O 3.42Å; A732-E782 HydrophobicContact CB-CG 4.3Å |
| 733 | I | 87.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147 | 167.9 | 60.5 | 170.4 | 0 | 0 | 0 | 110.9 | T674 C697 F699 V730 W735 L742 L743 I744 I780 T781 V783 | T674-I733 HydrophobicContact CG2-CD1 4.4Å; C697-I733 HydrophobicContact CB-CD1 4.35Å; F699-I733 HydrophobicContact CE1-CD1 4.25Å; F699-I733 HydrophobicContact CE1-CG2 3.91Å; F699-I733 HydrophobicContact CZ-CD1 3.94Å; F699-I733 HydrophobicContact CZ-CG1 4.47Å; V730-I733 HydrophobicContact CG1-CG2 4.18Å; I733-W735 HydrophobicContact CD1-CZ2 3.7Å; I733-L742 HydrophobicContact CB-CD1 4.11Å; I733-L742 HydrophobicContact CD1-CD1 4.39Å; I733-L743 CarbonylContact C-O 3.59Å; I733-L743 WeakPolarHBondContact CA-O 3.25Å; I733-I744 HydrophobicContact CG2-CB 4.46Å; I733-I744 HydrophobicContact CG2-CG1 4.14Å; I733-I744 HydrophobicContact CG2-CG2 4.22Å; I733-I780 WeakPolarHBondContact O-CA 3.35Å; I733-T781 WeakPolarHBondContact CG1-O 3.43Å; I733-T781 PolarHBondContact N-O 2.66Å; I733-T781 PolarHBondContact O-N 2.83Å; I733-V783 HydrophobicContact CG1-CG2 4.47Å |
| 734 | G | 87.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L743 F779 | G734-L743 PolarHBondContact N-O 2.83Å; G734-L743 PolarHBondContact O-N 2.98Å; G734-F779 CarbonylContact C-O 3.57Å; G734-F779 VanDerWaalsContact CA-O 3.32Å; G734-F779 WeakPolarHBondContact CA-O 3.47Å |
| 735 | W | 86.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.8 | -176.7 | -55.1 | 85.7 | 0 | 0 | 0 | 111 | P677 L692 L707 I733 L742 I756 Q778 F779 | P677-W735 HydrophobicContact CB-CD2 4.25Å; P677-W735 HydrophobicContact CB-CG 4.16Å; P677-W735 HydrophobicContact CG-CD2 3.81Å; P677-W735 HydrophobicContact CG-CE3 3.81Å; P677-W735 HydrophobicContact CG-CG 4.19Å; P677-W735 HydrophobicContact CG-CZ3 4.25Å; L692-W735 HydrophobicContact CD2-CH2 4.46Å; L692-W735 HydrophobicContact CD2-CZ3 3.83Å; L707-W735 HydrophobicContact CD1-CH2 4.32Å; L707-W735 HydrophobicContact CD1-CZ3 4.37Å; L707-W735 HydrophobicContact CD2-CH2 3.84Å; I733-W735 HydrophobicContact CD1-CZ2 3.7Å; W735-L742 HydrophobicContact CD2-CD1 4.15Å; W735-L742 HydrophobicContact CE3-CD1 4.07Å; W735-L742 HydrophobicContact CH2-CD1 4.14Å; W735-L742 HydrophobicContact CZ2-CD1 4.2Å; W735-L742 HydrophobicContact CZ3-CD1 4.06Å; W735-I756 HydrophobicContact CE3-CD1 3.93Å; W735-I756 HydrophobicContact CZ3-CD1 3.96Å; W735-Q778 WeakPolarHBondContact O-CB 3.5Å; W735-Q778 PolarHBondContact O-N 3.02Å; W735-F779 HydrophobicContact CB-CB 4.27Å; W735-F779 HydrophobicContact CB-CD2 4.47Å; W735-F779 HydrophobicContact CG-CB 4.44Å; W735-F779 PolarHBondContact N-O 2.98Å |
| 736 | R | 86.2 | Confident | 81.3 | Confident | 32 Ų | 32 | 23.1 Ų | 23.1 | 12% | 0.121 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 79.9 | 170.5 | -68.1 | 172.3 | 63.6 | 123.6 | 0.9 | 109.1 | A738 E739 D740 L741 L743 | R736-A738 PolarHBondContact O-N 3.36Å; R736-A738 VanDerWaalsContact O-N 3.12Å; R736-E739 IonicContact CZ-OE1 3.4Å; R736-E739 IonicContact CZ-OE2 3.72Å; R736-E739 IonicContact NE-OE1 2.83Å; R736-E739 IonicContact NE-OE2 2.98Å; R736-E739 PolarHBondContact NE-OE2 3.18Å; R736-E739 VanDerWaalsContact NH2-CD 3.28Å; R736-E739 IonicContact NH2-OE1 3.27Å; R736-E739 PolarHBondContact NH2-OE1 3.17Å; R736-E739 IonicContact NH2-OE2 3.49Å; R736-E739 PolarHBondContact NH2-OE2 3.05Å; R736-E739 PolarHBondContact O-N 3.19Å; R736-D740 PolarHBondContact O-N 2.96Å; R736-D740 VanDerWaalsContact O-N 3.14Å; R736-L741 HydrophobicContact CB-CB 4.26Å; R736-L741 PolarHBondContact N-O 3.13Å; R736-L741 PolarHBondContact O-N 3.39Å; R736-L743 HydrophobicContact CG-CD1 4.32Å |
| 737 | L | 79.2 | Confident | 82.4 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.7 | -174.4 | -63.4 | 177.3 | 0 | 0 | 0 | 114.7 | P677 V682 M685 L692 F779 | P677-L737 HydrophobicContact CB-CD1 4.08Å; P677-L737 HydrophobicContact CG-CD1 4.11Å; P677-L737 HydrophobicContact CG-CD2 3.83Å; P677-L737 HydrophobicContact CG-CG 4.39Å; V682-L737 HydrophobicContact CG2-CD1 3.86Å; M685-L737 HydrophobicContact CE-CB 4.02Å; M685-L737 HydrophobicContact SD-CB 4.26Å; L692-L737 HydrophobicContact CD1-CD2 3.5Å; L692-L737 VanDerWaalsContact CD1-CD2 3.5Å; L737-F779 HydrophobicContact CD1-CD2 4.26Å; L737-F779 HydrophobicContact CD1-CE2 3.96Å |
| 738 | A | 75.8 | Confident | 82.9 | Confident | 60 Ų | 60 | 22.3 Ų | 22.3 | 50% | 0.496 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M685 R736 | M685-A738 VanDerWaalsContact CE-CA 3.5Å; M685-A738 HydrophobicContact CE-CB 3.68Å; M685-A738 VanDerWaalsContact CE-N 3.3Å; R736-A738 PolarHBondContact O-N 3.36Å; R736-A738 VanDerWaalsContact O-N 3.12Å |
| 739 | E | 82.8 | Confident | 83.2 | Confident | 96 Ų | 96 | 23 Ų | 23 | 45% | 0.449 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 2.7 | -169.6 | -63.1 | 159.1 | -172.9 | 0 | 0 | 111 | R736 L741 | R736-E739 IonicContact CZ-OE1 3.4Å; R736-E739 IonicContact CZ-OE2 3.72Å; R736-E739 IonicContact NE-OE1 2.83Å; R736-E739 IonicContact NE-OE2 2.98Å; R736-E739 PolarHBondContact NE-OE2 3.18Å; R736-E739 VanDerWaalsContact NH2-CD 3.28Å; R736-E739 IonicContact NH2-OE1 3.27Å; R736-E739 PolarHBondContact NH2-OE1 3.17Å; R736-E739 IonicContact NH2-OE2 3.49Å; R736-E739 PolarHBondContact NH2-OE2 3.05Å; R736-E739 PolarHBondContact O-N 3.19Å; E739-L741 HydrophobicContact CB-CD1 4.13Å; E739-L741 HydrophobicContact CB-CG 3.91Å; E739-L741 PolarHBondContact O-N 3.46Å |
| 740 | D | 85.5 | Confident | 83.8 | Confident | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 38.1 | -169.9 | -80.5 | -37.2 | 0 | 0 | 0 | 114 | R736 I756 N757 | R736-D740 PolarHBondContact O-N 2.96Å; R736-D740 VanDerWaalsContact O-N 3.14Å; D740-I756 HydrophobicContact CB-CB 4.41Å; D740-I756 WeakPolarHBondContact O-CB 3.37Å; D740-I756 WeakPolarHBondContact O-CD1 3.24Å; D740-I756 WeakPolarHBondContact O-CG1 3.4Å; D740-I756 PolarHBondContact O-N 2.89Å; D740-N757 VanDerWaalsContact CB-ND2 3.32Å; D740-N757 WeakPolarHBondContact CB-ND2 3.46Å; D740-N757 PolarHBondContact OD2-ND2 3.24Å |
| 741 | L | 89.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.3 | 177.3 | -57.2 | 179.6 | 0 | 0 | 0 | 113.3 | R736 E739 V753 W754 D755 E762 | R736-L741 HydrophobicContact CB-CB 4.26Å; R736-L741 PolarHBondContact N-O 3.13Å; R736-L741 PolarHBondContact O-N 3.39Å; E739-L741 HydrophobicContact CB-CD1 4.13Å; E739-L741 HydrophobicContact CB-CG 3.91Å; E739-L741 PolarHBondContact O-N 3.46Å; L741-V753 HydrophobicContact CB-CG1 4.42Å; L741-V753 HydrophobicContact CD1-CG1 3.99Å; L741-V753 HydrophobicContact CD2-CG1 4.43Å; L741-W754 CarbonylContact C-O 3.57Å; L741-W754 WeakPolarHBondContact CA-O 3.44Å; L741-D755 HydrophobicContact CD2-CB 4.46Å; L741-E762 HydrophobicContact CD2-CG 4.35Å |
| 742 | L | 91 | Very high | 85 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.6 | 167.4 | 176.6 | 67.5 | 0 | 0 | 0 | 109.6 | L707 L717 I733 W735 I744 W754 I756 | L707-L742 HydrophobicContact CD1-CD2 4.39Å; L707-L742 HydrophobicContact CD2-CD2 4.46Å; L717-L742 HydrophobicContact CD2-CD2 4.21Å; I733-L742 HydrophobicContact CB-CD1 4.11Å; I733-L742 HydrophobicContact CD1-CD1 4.39Å; W735-L742 HydrophobicContact CD2-CD1 4.15Å; W735-L742 HydrophobicContact CE3-CD1 4.07Å; W735-L742 HydrophobicContact CH2-CD1 4.14Å; W735-L742 HydrophobicContact CZ2-CD1 4.2Å; W735-L742 HydrophobicContact CZ3-CD1 4.06Å; L742-I744 HydrophobicContact CD2-CD1 4.12Å; L742-I744 HydrophobicContact CD2-CG1 4.23Å; L742-I744 HydrophobicContact CG-CD1 4.44Å; L742-I744 HydrophobicContact CG-CG1 4.04Å; L742-W754 HydrophobicContact CB-CB 4.37Å; L742-W754 PolarHBondContact N-O 3.46Å; L742-W754 PolarHBondContact O-N 2.8Å; L742-I756 HydrophobicContact CB-CD1 4.04Å; L742-I756 HydrophobicContact CB-CG1 3.81Å |
| 743 | L | 92.6 | Very high | 85.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 138.5 | 171.5 | -56 | 170.2 | 0 | 0 | 0 | 108.8 | I733 G734 R736 V751 V753 L773 F774 A777 | I733-L743 CarbonylContact C-O 3.59Å; I733-L743 WeakPolarHBondContact CA-O 3.25Å; G734-L743 PolarHBondContact N-O 2.83Å; G734-L743 PolarHBondContact O-N 2.98Å; R736-L743 HydrophobicContact CG-CD1 4.32Å; L743-V751 HydrophobicContact CB-CG1 4.37Å; L743-V751 HydrophobicContact CD2-CG1 4.35Å; L743-V753 HydrophobicContact CD2-CB 4.2Å; L743-V753 HydrophobicContact CD2-CG1 3.91Å; L743-V753 HydrophobicContact CD2-CG2 3.71Å; L743-L773 HydrophobicContact CD2-CD2 3.98Å; L743-L773 HydrophobicContact CD2-CG 4.2Å; L743-F774 HydrophobicContact CB-CD2 3.84Å; L743-F774 HydrophobicContact CB-CE2 3.82Å; L743-F774 HydrophobicContact CD1-CD2 4.23Å; L743-A777 HydrophobicContact CD1-CB 4.04Å |
| 744 | I | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.6 | 177.2 | -50.6 | 174.1 | 0 | 0 | 0 | 108 | V705 A719 V730 I733 L742 Y746 V751 T752 W754 | V705-I744 HydrophobicContact CB-CD1 4.09Å; V705-I744 HydrophobicContact CG2-CD1 3.87Å; V705-I744 HydrophobicContact CG2-CG2 3.94Å; A719-I744 HydrophobicContact CB-CD1 3.42Å; A719-I744 VanDerWaalsContact CB-CD1 3.42Å; V730-I744 HydrophobicContact CB-CG2 4.31Å; V730-I744 HydrophobicContact CG1-CG2 3.59Å; V730-I744 HydrophobicContact CG2-CG2 3.73Å; I733-I744 HydrophobicContact CG2-CB 4.46Å; I733-I744 HydrophobicContact CG2-CG1 4.14Å; I733-I744 HydrophobicContact CG2-CG2 4.22Å; L742-I744 HydrophobicContact CD2-CD1 4.12Å; L742-I744 HydrophobicContact CD2-CG1 4.23Å; L742-I744 HydrophobicContact CG-CD1 4.44Å; L742-I744 HydrophobicContact CG-CG1 4.04Å; I744-Y746 HydrophobicContact CB-CE2 4.15Å; I744-Y746 HydrophobicContact CG2-CE1 4.14Å; I744-Y746 HydrophobicContact CG2-CE2 3.86Å; I744-Y746 VanDerWaalsContact O-CE2 3.29Å; I744-Y746 WeakPolarHBondContact O-CE2 3.37Å; I744-V751 CarbonylContact O-C 3.51Å; I744-V751 VanDerWaalsContact O-CA 3.27Å; I744-V751 WeakPolarHBondContact O-CA 2.92Å; I744-T752 PolarHBondContact N-O 3.29Å; I744-T752 PolarHBondContact O-N 3.18Å; I744-W754 HydrophobicContact CD1-CG 4.5Å |
| 745 | N | 86.8 | Confident | 85.9 | Confident | 21 Ų | 21 | 24.1 Ų | 24.1 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.9 | -178.1 | -173.8 | 11 | 0 | 0 | 0 | 109.9 | V730 V731 A732 T750 V751 F774 | V730-N745 CarbonylContact C-O 3.59Å; V731-N745 PolarHBondContact N-O 3.36Å; A732-N745 HydrophobicContact CB-CB 4.45Å; A732-N745 PolarHBondContact N-O 3.08Å; A732-N745 PolarHBondContact O-N 3.33Å; N745-T750 WeakPolarHBondContact CA-O 3.46Å; N745-T750 PolarHBondContact OD1-O 3Å; N745-V751 HydrophobicContact CB-CG2 3.86Å; N745-F774 HydrophobicContact CB-CD2 4.12Å; N745-F774 HydrophobicContact CB-CE1 4.41Å; N745-F774 HydrophobicContact CB-CE2 3.72Å; N745-F774 HydrophobicContact CB-CZ 3.88Å |
| 746 | Y | 85.2 | Confident | 85.9 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 167.2 | -175.9 | -55.5 | -98.5 | 0 | 0 | 0 | 111.8 | N721 P729 V730 I744 D748 G749 T750 T752 | N721-Y746 HydrophobicContact CB-CE1 4.05Å; N721-Y746 HydrophobicContact CB-CE2 4.27Å; N721-Y746 PolarHBondContact N-OH 2.97Å; P729-Y746 WeakPolarHBondContact O-CA 3.31Å; V730-Y746 HydrophobicContact CG2-CD1 3.76Å; V730-Y746 HydrophobicContact CG2-CE1 3.5Å; I744-Y746 HydrophobicContact CB-CE2 4.15Å; I744-Y746 HydrophobicContact CG2-CE1 4.14Å; I744-Y746 HydrophobicContact CG2-CE2 3.86Å; I744-Y746 VanDerWaalsContact O-CE2 3.29Å; I744-Y746 WeakPolarHBondContact O-CE2 3.37Å; Y746-D748 WeakPolarHBondContact CB-OD1 3.25Å; Y746-D748 PolarHBondContact O-N 3.04Å; Y746-G749 PolarHBondContact O-N 3.07Å; Y746-T750 WeakPolarHBondContact CD2-O 3.33Å; Y746-T750 PolarHBondContact N-O 3.45Å; Y746-T752 HydrophobicContact CE2-CG2 3.63Å; Y746-T752 WeakPolarHBondContact CE2-OG1 3.4Å; Y746-T752 PolarHBondContact OH-OG1 2.8Å; Y746-T752 VanDerWaalsContact OH-OG1 3.07Å |
| 747 | L | 75.8 | Confident | 85.8 | Confident | 80 Ų | 80 | 26.8 Ų | 26.8 | 42% | 0.419 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.4 | -173.9 | -174.9 | 63.4 | 0 | 0 | 0 | 114.7 | C728 P729 V731 G749 Y784 P786 | C728-L747 PolarHBondContact SG-N 3.15Å; C728-L747 VanDerWaalsContact SG-N 3.39Å; P729-L747 HydrophobicContact CG-CB 3.93Å; P729-L747 HydrophobicContact CG-CD2 3.79Å; P729-L747 PolarHBondContact O-N 3.46Å; V731-L747 VanDerWaalsContact CG2-CA 3.48Å; V731-L747 HydrophobicContact CG2-CB 3.85Å; V731-L747 HydrophobicContact CG2-CD1 3.95Å; L747-G749 VanDerWaalsContact C-N 3.29Å; L747-Y784 HydrophobicContact CD1-CD1 4.47Å; L747-Y784 HydrophobicContact CD1-CE1 4.28Å; L747-Y784 HydrophobicContact CD2-CE1 3.86Å; L747-P786 HydrophobicContact CD1-CB 4.02Å |
| 748 | D | 75.3 | Confident | 86 | Confident | 84 Ų | 84 | 33.8 Ų | 33.8 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.5 | 170.8 | 50.9 | 31.3 | 0 | 0 | 0 | 113.6 | C728 Y746 T750 | C728-D748 WeakPolarHBondContact CB-OD2 3.46Å; C728-D748 PolarHBondContact SG-N 3.32Å; C728-D748 PolarHBondContact SG-OD2 3.45Å; Y746-D748 WeakPolarHBondContact CB-OD1 3.25Å; Y746-D748 PolarHBondContact O-N 3.04Å; D748-T750 VanDerWaalsContact OD1-CB 3.28Å; D748-T750 WeakPolarHBondContact OD1-CB 3.43Å; D748-T750 VanDerWaalsContact OD1-CG2 3.29Å; D748-T750 WeakPolarHBondContact OD1-CG2 3.46Å; D748-T750 PolarHBondContact OD1-N 3.37Å; D748-T750 PolarHBondContact OD1-OG1 3.44Å |
| 749 | G | 77.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 82.6 | 12.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y746 L747 | Y746-G749 PolarHBondContact O-N 3.07Å; L747-G749 VanDerWaalsContact C-N 3.29Å |
| 750 | T | 86.1 | Confident | 86.6 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 14% | 0.141 | 18% | 0.177 | C | C | . | . | trans | -77.8 | 148 | 169 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | N745 Y746 D748 T766 | N745-T750 WeakPolarHBondContact CA-O 3.46Å; N745-T750 PolarHBondContact OD1-O 3Å; Y746-T750 WeakPolarHBondContact CD2-O 3.33Å; Y746-T750 PolarHBondContact N-O 3.45Å; D748-T750 VanDerWaalsContact OD1-CB 3.28Å; D748-T750 WeakPolarHBondContact OD1-CB 3.43Å; D748-T750 VanDerWaalsContact OD1-CG2 3.29Å; D748-T750 WeakPolarHBondContact OD1-CG2 3.46Å; D748-T750 PolarHBondContact OD1-N 3.37Å; D748-T750 PolarHBondContact OD1-OG1 3.44Å; T750-T766 HydrophobicContact CG2-CG2 3.97Å | ||
| 751 | V | 90.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.3 | 175 | 169.7 | 0 | 0 | 0 | 0 | 110 | L743 I744 N745 E765 A770 F774 | L743-V751 HydrophobicContact CB-CG1 4.37Å; L743-V751 HydrophobicContact CD2-CG1 4.35Å; I744-V751 CarbonylContact O-C 3.51Å; I744-V751 VanDerWaalsContact O-CA 3.27Å; I744-V751 WeakPolarHBondContact O-CA 2.92Å; N745-V751 HydrophobicContact CB-CG2 3.86Å; V751-E765 PolarHBondContact N-O 3.38Å; V751-E765 PolarHBondContact O-N 2.87Å; V751-A770 HydrophobicContact CB-CB 3.92Å; V751-A770 HydrophobicContact CG2-CB 3.77Å; V751-F774 HydrophobicContact CG1-CD2 4.16Å; V751-F774 HydrophobicContact CG2-CB 4.43Å; V751-F774 HydrophobicContact CG2-CD2 4.08Å |
| 752 | T | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.4 | 172.3 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | N721 I744 Y746 W754 L761 I764 | N721-T752 HydrophobicContact CB-CG2 4.24Å; I744-T752 PolarHBondContact N-O 3.29Å; I744-T752 PolarHBondContact O-N 3.18Å; Y746-T752 HydrophobicContact CE2-CG2 3.63Å; Y746-T752 WeakPolarHBondContact CE2-OG1 3.4Å; Y746-T752 PolarHBondContact OH-OG1 2.8Å; Y746-T752 VanDerWaalsContact OH-OG1 3.07Å; T752-W754 PolarHBondContact OG1-NE1 2.92Å; T752-L761 HydrophobicContact CG2-CD1 4.11Å; T752-I764 HydrophobicContact CG2-CD1 4.29Å; T752-I764 HydrophobicContact CG2-CG1 4.08Å; T752-I764 HydrophobicContact CG2-CG2 4.07Å |
| 753 | V | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.8 | -178.2 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | L741 L743 E762 R763 L773 | L741-V753 HydrophobicContact CB-CG1 4.42Å; L741-V753 HydrophobicContact CD1-CG1 3.99Å; L741-V753 HydrophobicContact CD2-CG1 4.43Å; L743-V753 HydrophobicContact CD2-CB 4.2Å; L743-V753 HydrophobicContact CD2-CG1 3.91Å; L743-V753 HydrophobicContact CD2-CG2 3.71Å; V753-E762 HydrophobicContact CB-CB 4.42Å; V753-E762 HydrophobicContact CG1-CB 4.41Å; V753-E762 WeakPolarHBondContact CG1-OE2 3.48Å; V753-E762 PolarHBondContact O-N 3.12Å; V753-R763 HydrophobicContact CB-CG 3.74Å; V753-R763 HydrophobicContact CG1-CG 4.47Å; V753-R763 HydrophobicContact CG2-CG 3.66Å; V753-R763 PolarHBondContact N-O 2.94Å; V753-L773 HydrophobicContact CG2-CD2 3.62Å |
| 754 | W | 92.1 | Very high | 86.6 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.3 | -174.4 | -65.4 | 76.4 | 0 | 0 | 0 | 112.1 | A719 R720 L741 L742 I744 T752 C760 L761 | A719-W754 HydrophobicContact CB-CD2 3.54Å; A719-W754 VanDerWaalsContact CB-CE2 3.45Å; A719-W754 HydrophobicContact CB-CE3 3.87Å; A719-W754 HydrophobicContact CB-CG 4.06Å; A719-W754 HydrophobicContact CB-CH2 4.08Å; A719-W754 HydrophobicContact CB-CZ2 3.76Å; A719-W754 HydrophobicContact CB-CZ3 4.12Å; R720-W754 VanDerWaalsContact N-CZ2 3.33Å; R720-W754 WeakPolarHBondContact O-CZ2 3.29Å; L741-W754 CarbonylContact C-O 3.57Å; L741-W754 WeakPolarHBondContact CA-O 3.44Å; L742-W754 HydrophobicContact CB-CB 4.37Å; L742-W754 PolarHBondContact N-O 3.46Å; L742-W754 PolarHBondContact O-N 2.8Å; I744-W754 HydrophobicContact CD1-CG 4.5Å; T752-W754 PolarHBondContact OG1-NE1 2.92Å; W754-C760 CarbonylContact C-O 3.59Å; W754-C760 VanDerWaalsContact CA-O 3.28Å; W754-C760 WeakPolarHBondContact CA-O 3.49Å; W754-C760 VanDerWaalsContact CE3-C 3.47Å; W754-L761 HydrophobicContact CD2-CB 4.19Å; W754-L761 HydrophobicContact CD2-CD1 4.25Å; W754-L761 HydrophobicContact CE3-CB 4.18Å; W754-L761 HydrophobicContact CH2-CB 3.92Å; W754-L761 HydrophobicContact CZ2-CB 3.93Å; W754-L761 HydrophobicContact CZ2-CD1 3.87Å; W754-L761 HydrophobicContact CZ2-CG 4.37Å; W754-L761 HydrophobicContact CZ3-CB 4.06Å |
| 755 | D | 90.8 | Very high | 86.5 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 121.8 | 168.3 | -180 | -36.2 | 0 | 0 | 0 | 109.4 | L741 N757 M758 G759 C760 | L741-D755 HydrophobicContact CD2-CB 4.46Å; D755-N757 VanDerWaalsContact C-N 3.35Å; D755-N757 VanDerWaalsContact OD1-CA 3.3Å; D755-N757 WeakPolarHBondContact OD1-CA 3.49Å; D755-N757 VanDerWaalsContact OD1-CB 3.3Å; D755-N757 WeakPolarHBondContact OD1-CB 3.48Å; D755-N757 PolarHBondContact OD1-N 3Å; D755-M758 HydrophobicContact CB-CB 4.22Å; D755-M758 PolarHBondContact OD1-N 3.47Å; D755-M758 WeakPolarHBondContact OD2-CG 3.38Å; D755-G759 VanDerWaalsContact O-CA 3.25Å; D755-G759 WeakPolarHBondContact O-CA 3.45Å; D755-G759 PolarHBondContact O-N 3.33Å; D755-C760 PolarHBondContact N-O 3.01Å |
| 756 | I | 87.7 | Confident | 86.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -26.7 | -178 | -64.4 | 168.9 | 0 | 0 | 0 | 112.3 | L692 L707 F716 W735 D740 L742 | L692-I756 HydrophobicContact CD1-CD1 4.39Å; L692-I756 HydrophobicContact CD2-CG2 4.08Å; L707-I756 HydrophobicContact CD1-CG2 4.48Å; F716-I756 HydrophobicContact CE2-CG2 4.24Å; W735-I756 HydrophobicContact CE3-CD1 3.93Å; W735-I756 HydrophobicContact CZ3-CD1 3.96Å; D740-I756 HydrophobicContact CB-CB 4.41Å; D740-I756 WeakPolarHBondContact O-CB 3.37Å; D740-I756 WeakPolarHBondContact O-CD1 3.24Å; D740-I756 WeakPolarHBondContact O-CG1 3.4Å; D740-I756 PolarHBondContact O-N 2.89Å; L742-I756 HydrophobicContact CB-CD1 4.04Å; L742-I756 HydrophobicContact CB-CG1 3.81Å |
| 757 | N | 82.5 | Confident | 86.1 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -44.1 | -179.2 | -66.9 | -42 | 0 | 0 | 0 | 112.3 | N689 D740 D755 | N689-N757 PolarHBondContact ND2-OD1 3.31Å; D740-N757 VanDerWaalsContact CB-ND2 3.32Å; D740-N757 WeakPolarHBondContact CB-ND2 3.46Å; D740-N757 PolarHBondContact OD2-ND2 3.24Å; D755-N757 VanDerWaalsContact C-N 3.35Å; D755-N757 VanDerWaalsContact OD1-CA 3.3Å; D755-N757 WeakPolarHBondContact OD1-CA 3.49Å; D755-N757 VanDerWaalsContact OD1-CB 3.3Å; D755-N757 WeakPolarHBondContact OD1-CB 3.48Å; D755-N757 PolarHBondContact OD1-N 3Å |
| 758 | M | 84.2 | Confident | 85.9 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 74% | 0.739 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -22.3 | 178.9 | -60.8 | -161.2 | -151 | 0 | 0 | 113.1 | D755 C760 | D755-M758 HydrophobicContact CB-CB 4.22Å; D755-M758 PolarHBondContact OD1-N 3.47Å; D755-M758 WeakPolarHBondContact OD2-CG 3.38Å; M758-C760 VanDerWaalsContact C-N 3.26Å; M758-C760 PolarHBondContact O-N 3.49Å |
| 759 | G | 83.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | 70 | 21.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D755 | D755-G759 VanDerWaalsContact O-CA 3.25Å; D755-G759 WeakPolarHBondContact O-CA 3.45Å; D755-G759 PolarHBondContact O-N 3.33Å | ||
| 760 | C | 87.7 | Confident | 86.3 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | trans | -105.6 | 153.5 | -177.8 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | W754 D755 M758 | W754-C760 CarbonylContact C-O 3.59Å; W754-C760 VanDerWaalsContact CA-O 3.28Å; W754-C760 WeakPolarHBondContact CA-O 3.49Å; W754-C760 VanDerWaalsContact CE3-C 3.47Å; D755-C760 PolarHBondContact N-O 3.01Å; M758-C760 VanDerWaalsContact C-N 3.26Å; M758-C760 PolarHBondContact O-N 3.49Å | ||
| 761 | L | 89.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 29% | 0.293 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.2 | 169.2 | 176.7 | 72 | 0 | 0 | 0 | 108.7 | T752 W754 I764 | T752-L761 HydrophobicContact CG2-CD1 4.11Å; W754-L761 HydrophobicContact CD2-CB 4.19Å; W754-L761 HydrophobicContact CD2-CD1 4.25Å; W754-L761 HydrophobicContact CE3-CB 4.18Å; W754-L761 HydrophobicContact CH2-CB 3.92Å; W754-L761 HydrophobicContact CZ2-CB 3.93Å; W754-L761 HydrophobicContact CZ2-CD1 3.87Å; W754-L761 HydrophobicContact CZ2-CG 4.37Å; W754-L761 HydrophobicContact CZ3-CB 4.06Å; L761-I764 HydrophobicContact CD1-CG1 4.35Å; L761-I764 HydrophobicContact CD2-CD1 4.18Å; L761-I764 HydrophobicContact CD2-CG1 4.1Å |
| 762 | E | 89.5 | Confident | 85.2 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -50.4 | 172.8 | -68.9 | -162.4 | 133.8 | 0 | 0 | 111.6 | L741 V753 | L741-E762 HydrophobicContact CD2-CG 4.35Å; V753-E762 HydrophobicContact CB-CB 4.42Å; V753-E762 HydrophobicContact CG1-CB 4.41Å; V753-E762 WeakPolarHBondContact CG1-OE2 3.48Å; V753-E762 PolarHBondContact O-N 3.12Å |
| 763 | R | 88.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 165 | -169.5 | 54.7 | 178.3 | 160.7 | 146.6 | -7.9 | 112.8 | V753 E765 | V753-R763 HydrophobicContact CB-CG 3.74Å; V753-R763 HydrophobicContact CG1-CG 4.47Å; V753-R763 HydrophobicContact CG2-CG 3.66Å; V753-R763 PolarHBondContact N-O 2.94Å; R763-E765 IonicContact CZ-OE1 3.82Å; R763-E765 IonicContact NH1-OE1 2.82Å; R763-E765 PolarHBondContact NH1-OE1 2.92Å |
| 764 | I | 89.8 | Confident | 84.4 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.1 | 173 | -44.5 | -173.4 | 0 | 0 | 0 | 107.8 | T752 L761 | T752-I764 HydrophobicContact CG2-CD1 4.29Å; T752-I764 HydrophobicContact CG2-CG1 4.08Å; T752-I764 HydrophobicContact CG2-CG2 4.07Å; L761-I764 HydrophobicContact CD1-CG1 4.35Å; L761-I764 HydrophobicContact CD2-CD1 4.18Å; L761-I764 HydrophobicContact CD2-CG1 4.1Å |
| 765 | E | 88.7 | Confident | 83.7 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 156.3 | 175.1 | -61.2 | -73.6 | 174.9 | 0 | 0 | 109.7 | V751 R763 S769 A770 L773 | V751-E765 PolarHBondContact N-O 3.38Å; V751-E765 PolarHBondContact O-N 2.87Å; R763-E765 IonicContact CZ-OE1 3.82Å; R763-E765 IonicContact NH1-OE1 2.82Å; R763-E765 PolarHBondContact NH1-OE1 2.92Å; E765-S769 WeakPolarHBondContact OE2-CB 3.48Å; E765-S769 PolarHBondContact OE2-OG 3.24Å; E765-A770 HydrophobicContact CB-CB 4.07Å; E765-L773 HydrophobicContact CG-CD2 3.76Å |
| 766 | T | 84.5 | Confident | 83.2 | Confident | 73 Ų | 73 | 71 Ų | 71 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | trans | -139.7 | 168.2 | -179.4 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | T750 Q768 S769 A770 | T750-T766 HydrophobicContact CG2-CG2 3.97Å; T766-Q768 PolarHBondContact O-N 3.23Å; T766-S769 PolarHBondContact O-N 2.91Å; T766-S769 PolarHBondContact O-OG 3.08Å; T766-A770 PolarHBondContact O-N 3.18Å; T766-A770 VanDerWaalsContact O-N 3.17Å | ||
| 767 | E | 79.1 | Confident | 82.7 | Confident | 157 Ų | 157 | 71.5 Ų | 71.5 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | 49.3 | -116.4 | 174.7 | -57.3 | -169.3 | 159.3 | 0 | 0 | 114.2 | R771 | E767-R771 WeakPolarHBondContact O-CG 3.47Å |
| 768 | Q | 72 | Confident | 82.4 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -83.8 | -31.9 | -176.2 | -165.4 | 61.8 | 36.6 | 0 | 0 | 112.8 | T766 A770 R771 D772 | T766-Q768 PolarHBondContact O-N 3.23Å; Q768-A770 VanDerWaalsContact C-N 3.3Å; Q768-A770 PolarHBondContact O-N 2.85Å; Q768-R771 WeakPolarHBondContact O-CB 3.49Å; Q768-R771 PolarHBondContact O-N 3.38Å; Q768-D772 PolarHBondContact NE2-OD1 2.87Å; Q768-D772 VanDerWaalsContact O-CG 3.24Å; Q768-D772 PolarHBondContact O-N 3.34Å |
| 769 | S | 79.4 | Confident | 81.9 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 176.4 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | E765 T766 R771 L773 | E765-S769 WeakPolarHBondContact OE2-CB 3.48Å; E765-S769 PolarHBondContact OE2-OG 3.24Å; T766-S769 PolarHBondContact O-N 2.91Å; T766-S769 PolarHBondContact O-OG 3.08Å; S769-R771 PolarHBondContact O-N 3.06Å; S769-L773 VanDerWaalsContact O-CB 3.24Å; S769-L773 WeakPolarHBondContact O-CB 3.49Å; S769-L773 PolarHBondContact O-N 2.63Å |
| 770 | A | 82.7 | Confident | 81.5 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | V751 E765 T766 Q768 F774 | V751-A770 HydrophobicContact CB-CB 3.92Å; V751-A770 HydrophobicContact CG2-CB 3.77Å; E765-A770 HydrophobicContact CB-CB 4.07Å; T766-A770 PolarHBondContact O-N 3.18Å; T766-A770 VanDerWaalsContact O-N 3.17Å; Q768-A770 VanDerWaalsContact C-N 3.3Å; Q768-A770 PolarHBondContact O-N 2.85Å; A770-F774 VanDerWaalsContact O-CB 3.28Å; A770-F774 WeakPolarHBondContact O-CB 3.48Å; A770-F774 PolarHBondContact O-N 3.03Å |
| 771 | R | 72.9 | Confident | 80.7 | Confident | 116 Ų | 116 | 68.2 Ų | 68.2 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.2 | -54.3 | 177.6 | -69.8 | 174.8 | -175.5 | 145.1 | 6 | 111.8 | E767 Q768 S769 L773 F774 E775 V831 | E767-R771 WeakPolarHBondContact O-CG 3.47Å; Q768-R771 WeakPolarHBondContact O-CB 3.49Å; Q768-R771 PolarHBondContact O-N 3.38Å; S769-R771 PolarHBondContact O-N 3.06Å; R771-L773 PolarHBondContact O-N 2.96Å; R771-F774 PolarHBondContact O-N 2.9Å; R771-E775 PolarHBondContact O-N 2.94Å; R771-V831 HydrophobicContact CB-CB 4.19Å; R771-V831 HydrophobicContact CB-CG2 3.71Å; R771-V831 HydrophobicContact CG-CB 3.93Å; R771-V831 HydrophobicContact CG-CG1 4.14Å; R771-V831 HydrophobicContact CG-CG2 4.03Å |
| 772 | D | 79.8 | Confident | 79.5 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -29.6 | -175.1 | -63 | -3.1 | 0 | 0 | 0 | 111.7 | Q768 Q776 | Q768-D772 PolarHBondContact NE2-OD1 2.87Å; Q768-D772 VanDerWaalsContact O-CG 3.24Å; Q768-D772 PolarHBondContact O-N 3.34Å; D772-Q776 WeakPolarHBondContact O-CG 3.45Å; D772-Q776 PolarHBondContact O-NE2 3.26Å |
| 773 | L | 84.9 | Confident | 78.3 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.1 | -39.9 | 171.4 | -176.7 | 65.4 | 0 | 0 | 0 | 112.4 | L743 V753 E765 S769 R771 Q776 | L743-L773 HydrophobicContact CD2-CD2 3.98Å; L743-L773 HydrophobicContact CD2-CG 4.2Å; V753-L773 HydrophobicContact CG2-CD2 3.62Å; E765-L773 HydrophobicContact CG-CD2 3.76Å; S769-L773 VanDerWaalsContact O-CB 3.24Å; S769-L773 WeakPolarHBondContact O-CB 3.49Å; S769-L773 PolarHBondContact O-N 2.63Å; R771-L773 PolarHBondContact O-N 2.96Å; L773-Q776 WeakPolarHBondContact O-CB 3.3Å; L773-Q776 PolarHBondContact O-N 3.38Å |
| 774 | F | 82.4 | Confident | 76.5 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.1 | -32.2 | -177.8 | -155.8 | -99.8 | 0 | 0 | 0 | 112.5 | A732 L743 N745 V751 A770 R771 Q776 A777 I780 | A732-F774 HydrophobicContact CB-CE1 3.93Å; A732-F774 HydrophobicContact CB-CZ 3.67Å; L743-F774 HydrophobicContact CB-CD2 3.84Å; L743-F774 HydrophobicContact CB-CE2 3.82Å; L743-F774 HydrophobicContact CD1-CD2 4.23Å; N745-F774 HydrophobicContact CB-CD2 4.12Å; N745-F774 HydrophobicContact CB-CE1 4.41Å; N745-F774 HydrophobicContact CB-CE2 3.72Å; N745-F774 HydrophobicContact CB-CZ 3.88Å; V751-F774 HydrophobicContact CG1-CD2 4.16Å; V751-F774 HydrophobicContact CG2-CB 4.43Å; V751-F774 HydrophobicContact CG2-CD2 4.08Å; A770-F774 VanDerWaalsContact O-CB 3.28Å; A770-F774 WeakPolarHBondContact O-CB 3.48Å; A770-F774 PolarHBondContact O-N 3.03Å; R771-F774 PolarHBondContact O-N 2.9Å; F774-Q776 PolarHBondContact O-N 3.39Å; F774-A777 VanDerWaalsContact O-CB 3.26Å; F774-A777 WeakPolarHBondContact O-CB 3.37Å; F774-A777 PolarHBondContact O-N 3.03Å; F774-A777 VanDerWaalsContact O-N 3.12Å; F774-I780 HydrophobicContact CD1-CD1 3.99Å; F774-I780 HydrophobicContact CE1-CD1 3.98Å; F774-I780 HydrophobicContact CE1-CG1 4.11Å; F774-I780 HydrophobicContact CE1-CG2 3.66Å; F774-I780 HydrophobicContact CZ-CG2 4.14Å |
| 775 | E | 76.8 | Confident | 74.5 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.7 | 170.3 | -67.4 | -162.3 | 161 | 0 | 0 | 113.4 | R771 A777 G830 V831 | R771-E775 PolarHBondContact O-N 2.94Å; E775-A777 VanDerWaalsContact C-N 3.3Å; E775-G830 WeakPolarHBondContact OE1-CA 3.22Å; E775-G830 PolarHBondContact OE1-N 2.74Å; E775-V831 HydrophobicContact CG-CG2 3.32Å; E775-V831 WeakPolarHBondContact OE1-CG2 3.35Å; E775-V831 PolarHBondContact OE1-N 3.13Å |
| 776 | Q | 79.9 | Confident | 72.1 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1 | 175.6 | -61.1 | 167.4 | 40.5 | 0 | 0 | 113.6 | D772 L773 F774 | D772-Q776 WeakPolarHBondContact O-CG 3.45Å; D772-Q776 PolarHBondContact O-NE2 3.26Å; L773-Q776 WeakPolarHBondContact O-CB 3.3Å; L773-Q776 PolarHBondContact O-N 3.38Å; F774-Q776 PolarHBondContact O-N 3.39Å |
| 777 | A | 78.9 | Confident | 69.8 | Low | 16 Ų | 16 | 55.9 Ų | 55.9 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | trans | -65.4 | 135.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L743 F774 E775 F779 I780 | L743-A777 HydrophobicContact CD1-CB 4.04Å; F774-A777 VanDerWaalsContact O-CB 3.26Å; F774-A777 WeakPolarHBondContact O-CB 3.37Å; F774-A777 PolarHBondContact O-N 3.03Å; F774-A777 VanDerWaalsContact O-N 3.12Å; E775-A777 VanDerWaalsContact C-N 3.3Å; A777-F779 VanDerWaalsContact C-N 3.34Å; A777-I780 HydrophobicContact CB-CD1 4.19Å; A777-I780 HydrophobicContact CB-CG1 3.63Å | ||
| 778 | Q | 76.2 | Confident | 67.8 | Low | 85 Ų | 85 | 50.4 Ų | 50.4 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -73.1 | -31.8 | 178.1 | -62.8 | 175.7 | -26.7 | 0 | 0 | 111.9 | W735 | W735-Q778 WeakPolarHBondContact O-CB 3.5Å; W735-Q778 PolarHBondContact O-N 3.02Å |
| 779 | F | 72.5 | Confident | 66 | Low | 63 Ų | 63 | 48.9 Ų | 48.9 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.1 | 174.2 | -55.7 | -82.3 | 0 | 0 | 0 | 107.9 | P677 P678 S681 G734 W735 L737 A777 | P677-F779 HydrophobicContact CB-CD2 4.21Å; P677-F779 HydrophobicContact CB-CG 4.48Å; P678-F779 HydrophobicContact CG-CD1 4.06Å; P678-F779 HydrophobicContact CG-CE1 3.69Å; P678-F779 HydrophobicContact CG-CZ 4.15Å; S681-F779 WeakPolarHBondContact OG-CE2 3.14Å; S681-F779 WeakPolarHBondContact OG-CZ 3.49Å; G734-F779 CarbonylContact C-O 3.57Å; G734-F779 VanDerWaalsContact CA-O 3.32Å; G734-F779 WeakPolarHBondContact CA-O 3.47Å; W735-F779 HydrophobicContact CB-CB 4.27Å; W735-F779 HydrophobicContact CB-CD2 4.47Å; W735-F779 HydrophobicContact CG-CB 4.44Å; W735-F779 PolarHBondContact N-O 2.98Å; L737-F779 HydrophobicContact CD1-CD2 4.26Å; L737-F779 HydrophobicContact CD1-CE2 3.96Å; A777-F779 VanDerWaalsContact C-N 3.34Å |
| 780 | I | 74.6 | Confident | 63.7 | Low | 69 Ų | 69 | 47.1 Ų | 47.1 | 35% | 0.354 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.2 | 172.3 | -63.3 | 174.1 | 0 | 0 | 0 | 107.4 | A732 I733 F774 A777 E782 | A732-I780 HydrophobicContact CB-CG2 4.42Å; I733-I780 WeakPolarHBondContact O-CA 3.35Å; F774-I780 HydrophobicContact CD1-CD1 3.99Å; F774-I780 HydrophobicContact CE1-CD1 3.98Å; F774-I780 HydrophobicContact CE1-CG1 4.11Å; F774-I780 HydrophobicContact CE1-CG2 3.66Å; F774-I780 HydrophobicContact CZ-CG2 4.14Å; A777-I780 HydrophobicContact CB-CD1 4.19Å; A777-I780 HydrophobicContact CB-CG1 3.63Å; I780-E782 HydrophobicContact CG2-CG 4.32Å |
| 781 | T | 72.2 | Confident | 61.3 | Low | 33 Ų | 33 | 48.2 Ų | 48.2 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.9 | 175 | -50.8 | 0 | 0 | 0 | 0 | 108.2 | T674 A732 I733 | T674-T781 HydrophobicContact CG2-CG2 3.74Å; T674-T781 WeakPolarHBondContact OG1-CG2 3.42Å; A732-T781 WeakPolarHBondContact CA-O 3.42Å; I733-T781 WeakPolarHBondContact CG1-O 3.43Å; I733-T781 PolarHBondContact N-O 2.66Å; I733-T781 PolarHBondContact O-N 2.83Å |
| 782 | E | 65.3 | Low | 59.4 | Low | 58 Ų | 58 | 43.6 Ų | 43.6 | 27% | 0.271 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 149.3 | -174.5 | -58.8 | 162.6 | 175.4 | 0 | 0 | 110 | A732 I780 T834 C835 | A732-E782 HydrophobicContact CB-CG 4.3Å; I780-E782 HydrophobicContact CG2-CG 4.32Å; E782-T834 HydrophobicContact CB-CG2 4.29Å; E782-T834 HydrophobicContact CG-CG2 4.12Å; E782-T834 VanDerWaalsContact OE2-CA 3.3Å; E782-T834 WeakPolarHBondContact OE2-CA 3.27Å; E782-C835 WeakPolarHBondContact OE2-CB 3.32Å; E782-C835 PolarHBondContact OE2-N 3.32Å; E782-C835 PolarHBondContact OE2-SG 2.82Å |
| 783 | V | 63.6 | Low | 57.2 | Low | 22 Ų | 22 | 40.8 Ų | 40.8 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | trans | -131.6 | -54.7 | -161 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | F699 V730 V731 I733 | F699-V783 HydrophobicContact CB-CG1 3.81Å; F699-V783 HydrophobicContact CD1-CG1 3.67Å; F699-V783 HydrophobicContact CD1-CG2 4.12Å; F699-V783 HydrophobicContact CD2-CB 4.44Å; F699-V783 HydrophobicContact CD2-CG1 3.47Å; F699-V783 VanDerWaalsContact CD2-CG1 3.47Å; F699-V783 HydrophobicContact CD2-CG2 4.17Å; F699-V783 HydrophobicContact CE1-CG1 4.07Å; F699-V783 HydrophobicContact CE1-CG2 3.64Å; F699-V783 HydrophobicContact CE2-CB 4.4Å; F699-V783 HydrophobicContact CE2-CG1 3.89Å; F699-V783 HydrophobicContact CE2-CG2 3.68Å; F699-V783 HydrophobicContact CG-CG1 3.35Å; F699-V783 HydrophobicContact CG-CG2 4.38Å; F699-V783 HydrophobicContact CZ-CB 4.45Å; F699-V783 HydrophobicContact CZ-CG1 4.18Å; F699-V783 HydrophobicContact CZ-CG2 3.39Å; V730-V783 HydrophobicContact CB-CG1 4.37Å; V730-V783 HydrophobicContact CG1-CB 4.24Å; V730-V783 HydrophobicContact CG1-CG1 4.18Å; V730-V783 HydrophobicContact CG1-CG2 4.31Å; V730-V783 WeakPolarHBondContact O-CB 3.32Å; V730-V783 VanDerWaalsContact O-CG1 3.28Å; V730-V783 WeakPolarHBondContact O-CG1 3.48Å; V731-V783 PolarHBondContact O-N 2.9Å; I733-V783 HydrophobicContact CG1-CG2 4.47Å | ||
| 784 | Y | 51.3 | Low | 54.7 | Low | 28 Ų | 28 | 43.8 Ų | 43.8 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | trans | -119.6 | 117.7 | 179 | 179.5 | -91.7 | 0 | 0 | 0 | 109.5 | I671 P729 V730 V731 L747 P786 F789 | I671-Y784 HydrophobicContact CD1-CD2 4.37Å; P729-Y784 HydrophobicContact CB-CD1 4.38Å; P729-Y784 HydrophobicContact CB-CD2 4.16Å; P729-Y784 HydrophobicContact CB-CE2 4.45Å; P729-Y784 HydrophobicContact CB-CG 4.13Å; P729-Y784 HydrophobicContact CG-CD1 4.13Å; P729-Y784 HydrophobicContact CG-CE1 4.07Å; P729-Y784 HydrophobicContact CG-CE2 4.46Å; P729-Y784 HydrophobicContact CG-CG 4.37Å; V730-Y784 WeakPolarHBondContact O-CB 3.33Å; V730-Y784 PolarHBondContact O-N 3.34Å; V731-Y784 HydrophobicContact CG2-CD1 4.42Å; V731-Y784 PolarHBondContact O-N 3.41Å; V731-Y784 VanDerWaalsContact O-N 3.11Å; L747-Y784 HydrophobicContact CD1-CD1 4.47Å; L747-Y784 HydrophobicContact CD1-CE1 4.28Å; L747-Y784 HydrophobicContact CD2-CE1 3.86Å; Y784-P786 HydrophobicContact CE1-CB 4.4Å; Y784-F789 HydrophobicContact CE2-CD1 4.08Å; Y784-F789 AromaticContact CE2-CE1 3.8Å; Y784-F789 HydrophobicContact CE2-CE1 3.8Å; Y784-F789 AromaticContact CZ-CE1 3.98Å; Y784-F789 VanDerWaalsContact OH-CE1 3.22Å; Y784-F789 WeakPolarHBondContact OH-CE1 2.99Å; Y784-F789 WeakPolarHBondContact OH-CZ 3.3Å | ||
| 785 | H | 47.8 | Very low | 52.2 | Low | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | trans | -96 | 123.2 | 173.7 | -160 | -76.2 | 0 | 0 | 0 | 109.6 | K66 S787 T788 T834 C835 S836 | K66-H785 PolarHBondContact O-CE1 2.93Å; K66-H785 PolarHBondContact O-NE2 3.25Å; H785-S787 PolarHBondContact CE1-OG 2.83Å; H785-S787 PolarHBondContact ND1-N 2.89Å; H785-S787 PolarHBondContact ND1-OG 3.35Å; H785-S787 PolarHBondContact O-N 2.96Å; H785-T788 PolarHBondContact O-N 3.25Å; H785-T788 VanDerWaalsContact O-N 3.1Å; H785-T834 VanDerWaalsContact CD2-C 3.41Å; H785-T834 PolarHBondContact NE2-O 3.4Å; H785-T834 VanDerWaalsContact NE2-O 3.17Å; H785-C835 PolarHBondContact CD2-N 2.9Å; H785-S836 PolarHBondContact CD2-N 3.37Å; H785-S836 VanDerWaalsContact CD2-N 3.25Å; H785-S836 PolarHBondContact CE1-OG 3.19Å; H785-S836 PolarHBondContact NE2-N 3.32Å; H785-S836 PolarHBondContact NE2-OG 2.93Å | ||
| 786 | P | 37.3 | Very low | 50.1 | Low | 55 Ų | 55 | 45 Ų | 45 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -2.1 | -175.1 | 27.1 | -35.4 | 0 | 0 | 0 | 114.7 | L747 Y784 R875 | L747-P786 HydrophobicContact CD1-CB 4.02Å; Y784-P786 HydrophobicContact CE1-CB 4.4Å; P786-R875 PolarHBondContact O-NH1 2.69Å; P786-R875 PolarHBondContact O-NH2 3.17Å |
| 787 | S | 36.8 | Very low | 47.7 | Very low | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -4.4 | 174.3 | 71.2 | 0 | 0 | 0 | 0 | 116.9 | D42 H785 R875 | D42-S787 VanDerWaalsContact O-CB 3.25Å; D42-S787 WeakPolarHBondContact O-CB 3.33Å; D42-S787 PolarHBondContact O-OG 3.11Å; D42-S787 VanDerWaalsContact O-OG 3.1Å; D42-S787 WeakPolarHBondContact OD1-CA 3.42Å; D42-S787 VanDerWaalsContact OD1-CB 3.26Å; D42-S787 WeakPolarHBondContact OD1-CB 3.09Å; H785-S787 PolarHBondContact CE1-OG 2.83Å; H785-S787 PolarHBondContact ND1-N 2.89Å; H785-S787 PolarHBondContact ND1-OG 3.35Å; H785-S787 PolarHBondContact O-N 2.96Å; S787-R875 WeakPolarHBondContact O-CD 3.49Å |
| 788 | T | 36.6 | Very low | 45.1 | Very low | 42 Ų | 42 | 45.4 Ų | 45.4 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | trans | -140.5 | 107.7 | -179.3 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | H785 | H785-T788 PolarHBondContact O-N 3.25Å; H785-T788 VanDerWaalsContact O-N 3.1Å | ||
| 789 | F | 34.9 | Very low | 42.9 | Very low | 61 Ų | 61 | 45.4 Ų | 45.4 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -73.2 | 144.2 | 164.8 | -82.4 | -67.9 | 0 | 0 | 0 | 109.9 | Y784 R875 V877 | Y784-F789 HydrophobicContact CE2-CD1 4.08Å; Y784-F789 AromaticContact CE2-CE1 3.8Å; Y784-F789 HydrophobicContact CE2-CE1 3.8Å; Y784-F789 AromaticContact CZ-CE1 3.98Å; Y784-F789 VanDerWaalsContact OH-CE1 3.22Å; Y784-F789 WeakPolarHBondContact OH-CE1 2.99Å; Y784-F789 WeakPolarHBondContact OH-CZ 3.3Å; F789-R875 HydrophobicContact CD2-CB 4.47Å; F789-V877 HydrophobicContact CD2-CG2 4.3Å; F789-V877 HydrophobicContact CE2-CG2 4.42Å |
| 790 | L | 30.6 | Very low | 40.7 | Very low | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 70.1 | 127.7 | -165 | -55.8 | -173.8 | 0 | 0 | 0 | 115.3 | T483 T566 F792 W894 S896 | T483-L790 VanDerWaalsContact O-CD1 3.25Å; T483-L790 WeakPolarHBondContact O-CD1 3.14Å; T566-L790 HydrophobicContact CG2-CD2 4.14Å; L790-F792 HydrophobicContact CB-CE2 4.49Å; L790-F792 PolarHBondContact O-N 3.12Å; L790-W894 HydrophobicContact CD2-CE3 3.92Å; L790-W894 HydrophobicContact CD2-CZ3 3.81Å; L790-S896 VanDerWaalsContact CD1-O 3.24Å; L790-S896 WeakPolarHBondContact CD1-O 3.4Å; L790-S896 WeakPolarHBondContact CD1-OG 3.46Å |
| 791 | S | 32.1 | Very low | 38.3 | Very low | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -77.5 | 97.3 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | I671 T793 | I671-S791 WeakPolarHBondContact O-CB 3.18Å; S791-T793 PolarHBondContact O-N 2.76Å | ||
| 792 | F | 33.6 | Very low | 36 | Very low | 19 Ų | 19 | 54 Ų | 54 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | trans | -73.8 | 100.5 | 161.1 | -61.2 | -71.6 | 0 | 0 | 0 | 108.3 | L790 F794 L871 G873 P898 | L790-F792 HydrophobicContact CB-CE2 4.49Å; L790-F792 PolarHBondContact O-N 3.12Å; F792-F794 PolarHBondContact O-N 3.23Å; F792-L871 HydrophobicContact CB-CB 4.32Å; F792-L871 HydrophobicContact CB-CD1 4.43Å; F792-L871 HydrophobicContact CD1-CB 4Å; F792-L871 HydrophobicContact CD1-CD1 3.57Å; F792-L871 HydrophobicContact CD1-CG 4.4Å; F792-L871 HydrophobicContact CE1-CD1 4.32Å; F792-L871 HydrophobicContact CG-CB 4.12Å; F792-L871 HydrophobicContact CG-CD1 4.32Å; F792-G873 VanDerWaalsContact CE2-CA 3.42Å; F792-P898 HydrophobicContact CE1-CB 3.81Å; F792-P898 HydrophobicContact CE1-CG 4.1Å; F792-P898 HydrophobicContact CZ-CB 4.04Å | ||
| 793 | T | 32 | Very low | 33.9 | Very low | 18 Ų | 18 | 56.7 Ų | 56.7 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | trans | -72.1 | 90.3 | -178.4 | 38.9 | 0 | 0 | 0 | 0 | 110.8 | L568 S791 S795 | L568-T793 WeakPolarHBondContact O-CB 3.31Å; L568-T793 WeakPolarHBondContact O-CG2 3.38Å; L568-T793 PolarHBondContact O-OG1 2.99Å; S791-T793 PolarHBondContact O-N 2.76Å; T793-S795 PolarHBondContact O-N 2.87Å | ||
| 794 | F | 32.5 | Very low | 32 | Very low | 77 Ų | 77 | 59.8 Ų | 59.8 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | trans | -53 | 130.8 | 167.9 | -65.8 | -66.4 | 0 | 0 | 0 | 110.3 | F792 T796 Y870 | F792-F794 PolarHBondContact O-N 3.23Å; F794-T796 HydrophobicContact CB-CG2 3.9Å; F794-T796 PolarHBondContact O-N 3.34Å; F794-Y870 HydrophobicContact CD1-CD2 4.28Å; F794-Y870 HydrophobicContact CD1-CE2 4.37Å; F794-Y870 AromaticContact CE1-CD2 3.51Å; F794-Y870 HydrophobicContact CE1-CD2 3.51Å; F794-Y870 AromaticContact CE1-CE2 3.35Å; F794-Y870 HydrophobicContact CE1-CE2 3.35Å; F794-Y870 HydrophobicContact CE1-CG 4.38Å; F794-Y870 HydrophobicContact CZ-CD2 4.33Å; F794-Y870 AromaticContact CZ-CE2 3.72Å; F794-Y870 HydrophobicContact CZ-CE2 3.72Å | ||
| 795 | S | 31.6 | Very low | 30.7 | Very low | 37 Ų | 37 | 68.8 Ų | 68.8 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | trans | -71.8 | 70.4 | 163.9 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | T793 L797 | T793-S795 PolarHBondContact O-N 2.87Å; S795-L797 PolarHBondContact O-N 3.14Å | ||
| 796 | T | 31.4 | Very low | 29.6 | Very low | 91 Ų | 91 | 78.2 Ų | 78.2 | 56% | 0.558 | 43% | 0.426 | S | S | * | . | trans | -62.7 | 105.9 | 180 | 53 | 0 | 0 | 0 | 0 | 109.4 | F794 P798 | F794-T796 HydrophobicContact CB-CG2 3.9Å; F794-T796 PolarHBondContact O-N 3.34Å; T796-P798 WeakPolarHBondContact O-CD 3.32Å | ||
| 797 | L | 29 | Very low | 28.9 | Very low | 72 Ų | 72 | 81.5 Ų | 81.5 | 38% | 0.377 | 45% | 0.45 | S | S | . | . | trans | -65.3 | 113 | 162.8 | -82.3 | 106.3 | 0 | 0 | 0 | 107.9 | S795 S799 L864 | S795-L797 PolarHBondContact O-N 3.14Å; L797-S799 PolarHBondContact O-N 2.93Å; L797-L864 HydrophobicContact CD1-CD2 4.38Å; L797-L864 HydrophobicContact CD2-CD2 4.36Å | ||
| 798 | P | 25.9 | Very low | 28.4 | Very low | 62 Ų | 62 | 93 Ų | 93 | 40% | 0.403 | 49% | 0.493 | S | S | . | . | trans | -62.1 | 127.3 | -178.7 | 24.7 | -33.5 | 0 | 0 | 0 | 109.9 | C574 R576 T796 I800 | C574-P798 WeakPolarHBondContact O-CD 3.48Å; R576-P798 PolarHBondContact NH1-O 2.6Å; T796-P798 WeakPolarHBondContact O-CD 3.32Å; P798-I800 PolarHBondContact O-N 3.5Å | ||
| 799 | S | 28 | Very low | 27.9 | Very low | 84 Ų | 84 | 96.5 Ų | 96.5 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | trans | -64.6 | 127.9 | -175.6 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | L797 T801 | L797-S799 PolarHBondContact O-N 2.93Å; S799-T801 PolarHBondContact O-N 3.08Å | ||
| 800 | I | 27.7 | Very low | 27.5 | Very low | 87 Ų | 87 | 102 Ų | 102 | 45% | 0.446 | 55% | 0.55 | S | S | . | * | trans | -70.8 | 104.1 | 168 | -71.9 | 166.8 | 0 | 0 | 0 | 108.6 | P798 M802 L848 | P798-I800 PolarHBondContact O-N 3.5Å; I800-M802 HydrophobicContact CG2-CG 3.94Å; I800-L848 HydrophobicContact CD1-CD1 4.21Å; I800-L848 HydrophobicContact CD1-CD2 4.38Å | ||
| 801 | T | 24.3 | Very low | 27.3 | Very low | 114 Ų | 114 | 106.3 Ų | 106.3 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | trans | -80 | 107.9 | 153.7 | 46.2 | 0 | 0 | 0 | 0 | 108.3 | S799 S803 | S799-T801 PolarHBondContact O-N 3.08Å; T801-S803 VanDerWaalsContact C-N 3.29Å; T801-S803 PolarHBondContact O-N 2.7Å | ||
| 802 | M | 23 | Very low | 27 | Very low | 146 Ų | 146 | 108.4 Ų | 108.4 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | trans | -71.2 | 83 | 172 | -91.1 | -72.5 | -173.1 | 0 | 0 | 110.4 | I800 S804 | I800-M802 HydrophobicContact CG2-CG 3.94Å; M802-S804 PolarHBondContact O-N 3.46Å | ||
| 803 | S | 22.2 | Very low | 26.7 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 79% | 0.79 | 65% | 0.651 | S | S | * | * | trans | -81.3 | 56.2 | 171.6 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | T801 Y805 | T801-S803 VanDerWaalsContact C-N 3.29Å; T801-S803 PolarHBondContact O-N 2.7Å; S803-Y805 PolarHBondContact O-N 2.97Å; S803-Y805 VanDerWaalsContact O-N 3.1Å | ||
| 804 | S | 23.9 | Very low | 26.6 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | trans | -78.7 | 93.4 | -177.8 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | M802 | M802-S804 PolarHBondContact O-N 3.46Š| ||
| 805 | Y | 23.5 | Very low | 26.3 | Very low | 217 Ų | 217 | 121.4 Ų | 121.4 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | trans | 54 | 111.2 | 160.4 | -66.9 | -88.9 | 0 | 0 | 0 | 119.1 | S803 | S803-Y805 PolarHBondContact O-N 2.97Å; S803-Y805 VanDerWaalsContact O-N 3.1Å | ||
| 806 | K | 24 | Very low | 26 | Very low | 211 Ų | 211 | 126.5 Ų | 126.5 | 92% | 0.917 | 72% | 0.718 | S | S | * | * | -175.6 | 99.6 | 110.1 | -101.3 | 174.2 | -179.1 | -177.3 | 0 | 112.5 | |||||
| 807 | S | 23.2 | Very low | 25.6 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | trans | -154.8 | 81.8 | 160.2 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 808 | R | 26.2 | Very low | 25.4 | Very low | 247 Ų | 247 | 134.2 Ų | 134.2 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | trans | -118.5 | 136.7 | 156.8 | -122.1 | -174.8 | -172.4 | -170.9 | 2.8 | 107.5 | ||||
| 809 | S | 25.4 | Very low | 25.2 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 140.4 | -171.1 | 41.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 810 | L | 27.6 | Very low | 25 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | trans | -141.8 | 122 | 148.1 | -103.3 | 136.8 | 0 | 0 | 0 | 106 | ||||
| 811 | A | 26 | Very low | 24.7 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -87.4 | 137.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 812 | G | 25 | Very low | 24.6 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 170.8 | 97.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 813 | V | 27.8 | Very low | 24.5 | Very low | 144 Ų | 144 | 143 Ų | 143 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 127.7 | 162.9 | -167.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 814 | P | 30.5 | Very low | 24.5 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -101 | 149.5 | 173 | 37.4 | -31.7 | 0 | 0 | 0 | 113.3 | ||||
| 815 | N | 26.7 | Very low | 24.4 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | -174.5 | 129.3 | 128.7 | -100.5 | -25.4 | 0 | 0 | 0 | 114.3 | |||||
| 816 | Q | 23.9 | Very low | 24.4 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | 43 | 138.5 | 135.3 | -54.3 | -180 | -1.8 | 0 | 0 | 122.4 | ||||
| 817 | Y | 23.6 | Very low | 24.3 | Very low | 213 Ų | 213 | 135.5 Ų | 135.5 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 76.4 | 93.5 | 166.7 | -55.6 | -74.9 | 0 | 0 | 0 | 119.4 | ||||
| 818 | S | 24 | Very low | 24.3 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -137.5 | 109.2 | 145.5 | 42.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 819 | V | 22.9 | Very low | 24 | Very low | 83 Ų | 83 | 125 Ų | 125 | 50% | 0.503 | 74% | 0.736 | S | S | . | * | 57.4 | 102.1 | 78.8 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | T821 | V819-T821 HydrophobicContact CG1-CG2 4.4Å; V819-T821 PolarHBondContact O-N 3.12Å | |||
| 820 | Y | 22.8 | Very low | 23.8 | Very low | 223 Ų | 223 | 121.3 Ų | 121.3 | 88% | 0.875 | 72% | 0.716 | S | S | * | * | trans | -68.8 | 110.7 | 173 | -72.7 | -97.1 | 0 | 0 | 0 | 110.1 | N1528 | Y820-N1528 PolarHBondContact O-ND2 2.82Š| ||
| 821 | T | 22.8 | Very low | 23.5 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 59% | 0.589 | 68% | 0.682 | S | S | * | * | trans | -117.1 | 131.4 | 161.8 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | V819 L823 | V819-T821 HydrophobicContact CG1-CG2 4.4Å; V819-T821 PolarHBondContact O-N 3.12Å; T821-L823 VanDerWaalsContact C-N 3.31Å; T821-L823 PolarHBondContact O-N 3.36Å | ||
| 822 | S | 22.3 | Very low | 23.5 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 88% | 0.881 | 66% | 0.663 | S | S | * | * | trans | -74.7 | 74.7 | -168.4 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | A824 | S822-A824 PolarHBondContact O-N 2.95Š| ||
| 823 | L | 21.4 | Very low | 23.5 | Very low | 148 Ų | 148 | 113.5 Ų | 113.5 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | trans | -60.8 | 114.7 | 163 | -85.6 | 165.1 | 0 | 0 | 0 | 108.9 | T821 T825 | T821-L823 VanDerWaalsContact C-N 3.31Å; T821-L823 PolarHBondContact O-N 3.36Å; L823-T825 PolarHBondContact O-N 3.27Å | ||
| 824 | A | 22.1 | Very low | 23.5 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 72% | 0.719 | 62% | 0.615 | S | S | * | * | trans | -76.9 | 66.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S822 | S822-A824 PolarHBondContact O-N 2.95Š| ||
| 825 | T | 20.9 | Very low | 23.2 | Very low | 84 Ų | 84 | 105.1 Ų | 105.1 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | trans | -58.8 | 140.3 | 161.7 | 47.5 | 0 | 0 | 0 | 0 | 109.1 | L823 F827 | L823-T825 PolarHBondContact O-N 3.27Å; T825-F827 PolarHBondContact O-N 2.78Å; T825-F827 VanDerWaalsContact OG1-CD2 3.26Å; T825-F827 WeakPolarHBondContact OG1-CD2 3.38Å | ||
| 826 | P | 23.1 | Very low | 23.2 | Very low | 125 Ų | 125 | 99.4 Ų | 99.4 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | trans | -74.4 | 81.5 | 163.6 | 32 | -31.1 | 0 | 0 | 0 | 107.8 | C828 | P826-C828 PolarHBondContact O-N 3.27Š| ||
| 827 | F | 21.5 | Very low | 23.5 | Very low | 177 Ų | 177 | 93 Ų | 93 | 78% | 0.776 | 54% | 0.541 | S | S | * | . | trans | -61.9 | 104.4 | 169.5 | -107.1 | -76.3 | 0 | 0 | 0 | 109 | T825 | T825-F827 PolarHBondContact O-N 2.78Å; T825-F827 VanDerWaalsContact OG1-CD2 3.26Å; T825-F827 WeakPolarHBondContact OG1-CD2 3.38Å | ||
| 828 | C | 24.1 | Very low | 23.9 | Very low | 130 Ų | 130 | 83.9 Ų | 83.9 | 88% | 0.878 | 51% | 0.512 | S | S | * | . | trans | -76.7 | 105.4 | 140 | -63.4 | 0 | 0 | 0 | 0 | 105.1 | P826 | P826-C828 PolarHBondContact O-N 3.27Š| ||
| 829 | G | 19.8 | Very low | 24.2 | Very low | 20 Ų | 20 | 81.5 Ų | 81.5 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | trans | -148 | 137.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | T112 | T112-G829 VanDerWaalsContact CG2-O 3.26Å; T112-G829 WeakPolarHBondContact CG2-O 3.39Å | ||
| 830 | G | 20.9 | Very low | 24.7 | Very low | 39 Ų | 39 | 78.9 Ų | 78.9 | 40% | 0.402 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 93.3 | 95.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E775 N832 | E775-G830 WeakPolarHBondContact OE1-CA 3.22Å; E775-G830 PolarHBondContact OE1-N 2.74Å; G830-N832 PolarHBondContact O-N 3.4Å |
| 831 | V | 22.4 | Very low | 25.3 | Very low | 34 Ų | 34 | 72.8 Ų | 72.8 | 21% | 0.206 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -54.3 | 90.9 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | R771 E775 | R771-V831 HydrophobicContact CB-CB 4.19Å; R771-V831 HydrophobicContact CB-CG2 3.71Å; R771-V831 HydrophobicContact CG-CB 3.93Å; R771-V831 HydrophobicContact CG-CG1 4.14Å; R771-V831 HydrophobicContact CG-CG2 4.03Å; E775-V831 HydrophobicContact CG-CG2 3.32Å; E775-V831 WeakPolarHBondContact OE1-CG2 3.35Å; E775-V831 PolarHBondContact OE1-N 3.13Å |
| 832 | N | 25 | Very low | 25.7 | Very low | 91 Ų | 91 | 69.5 Ų | 69.5 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | trans | -155.9 | 23.6 | 157.9 | -84.7 | -50 | 0 | 0 | 0 | 111.2 | N92 G830 T834 | N92-N832 HydrophobicContact CB-CB 3.81Å; G830-N832 PolarHBondContact O-N 3.4Å; N832-T834 PolarHBondContact O-N 3.26Å | ||
| 833 | S | 24.3 | Very low | 26.1 | Very low | 64 Ų | 64 | 66.2 Ų | 66.2 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | trans | -77.2 | 108.3 | 167.8 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 834 | T | 27.7 | Very low | 26.7 | Very low | 21 Ų | 21 | 60.2 Ų | 60.2 | 13% | 0.129 | 38% | 0.38 | C | S | . | . | trans | -132.3 | 149 | 144.6 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | K66 V731 E782 H785 N832 | K66-T834 WeakPolarHBondContact CB-O 3.46Å; K66-T834 WeakPolarHBondContact CD-O 3.32Å; V731-T834 HydrophobicContact CG1-CG2 3.58Å; E782-T834 HydrophobicContact CB-CG2 4.29Å; E782-T834 HydrophobicContact CG-CG2 4.12Å; E782-T834 VanDerWaalsContact OE2-CA 3.3Å; E782-T834 WeakPolarHBondContact OE2-CA 3.27Å; H785-T834 VanDerWaalsContact CD2-C 3.41Å; H785-T834 PolarHBondContact NE2-O 3.4Å; H785-T834 VanDerWaalsContact NE2-O 3.17Å; N832-T834 PolarHBondContact O-N 3.26Å | ||
| 835 | C | 25.4 | Very low | 27.1 | Very low | 54 Ų | 54 | 59 Ų | 59 | 37% | 0.365 | 36% | 0.364 | S | S | . | . | trans | -101.3 | 103.4 | -168.3 | -71.3 | 0 | 0 | 0 | 0 | 114.2 | E782 H785 | E782-C835 WeakPolarHBondContact OE2-CB 3.32Å; E782-C835 PolarHBondContact OE2-N 3.32Å; E782-C835 PolarHBondContact OE2-SG 2.82Å; H785-C835 PolarHBondContact CD2-N 2.9Å | ||
| 836 | S | 26.8 | Very low | 27.8 | Very low | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -104.2 | -51.8 | 156.5 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | H785 G838 Y870 | H785-S836 PolarHBondContact CD2-N 3.37Å; H785-S836 VanDerWaalsContact CD2-N 3.25Å; H785-S836 PolarHBondContact CE1-OG 3.19Å; H785-S836 PolarHBondContact NE2-N 3.32Å; H785-S836 PolarHBondContact NE2-OG 2.93Å; S836-G838 PolarHBondContact O-N 2.93Å; S836-G838 VanDerWaalsContact O-N 3.11Å; S836-Y870 PolarHBondContact O-OH 3.18Å |
| 837 | S | 30.6 | Very low | 28.3 | Very low | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81 | 72.1 | 155.5 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | G64 K66 T839 | G64-S837 WeakPolarHBondContact CA-OG 3.45Å; G64-S837 WeakPolarHBondContact O-CB 3.35Å; G64-S837 PolarHBondContact O-OG 3.28Å; K66-S837 WeakPolarHBondContact CE-O 3.38Å; S837-T839 PolarHBondContact O-N 3.16Å; S837-T839 VanDerWaalsContact O-N 3.1Å |
| 838 | G | 31.5 | Very low | 28.9 | Very low | 21 Ų | 21 | 52.8 Ų | 52.8 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | trans | -55.6 | 114.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109 | S836 I840 | S836-G838 PolarHBondContact O-N 2.93Å; S836-G838 VanDerWaalsContact O-N 3.11Å; G838-I840 PolarHBondContact O-N 3.04Å | ||
| 839 | T | 30.7 | Very low | 29.3 | Very low | 63 Ų | 63 | 56 Ų | 56 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | trans | -54.2 | 118 | -173.4 | 32 | 0 | 0 | 0 | 0 | 109.6 | S837 H841 | S837-T839 PolarHBondContact O-N 3.16Å; S837-T839 VanDerWaalsContact O-N 3.1Å; T839-H841 VanDerWaalsContact C-N 3.26Å; T839-H841 PolarHBondContact O-N 2.68Å | ||
| 840 | I | 33 | Very low | 30 | Very low | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.138 | 33% | 0.328 | C | S | . | . | trans | -68.3 | 87.7 | -167.3 | -61 | -179.2 | 0 | 0 | 0 | 110 | G838 L842 G1027 M1029 | G838-I840 PolarHBondContact O-N 3.04Å; I840-L842 HydrophobicContact CG2-CB 4.13Å; I840-L842 HydrophobicContact CG2-CD1 3.5Å; I840-L842 HydrophobicContact CG2-CG 3.54Å; I840-L842 PolarHBondContact O-N 3.11Å; I840-G1027 WeakPolarHBondContact CD1-O 3.3Å; I840-G1027 WeakPolarHBondContact CG1-O 3.25Å; I840-M1029 HydrophobicContact CD1-CE 3.98Å; I840-M1029 HydrophobicContact CD1-CG 3.44Å; I840-M1029 VanDerWaalsContact CD1-CG 3.44Å; I840-M1029 HydrophobicContact CD1-SD 3.43Å; I840-M1029 WeakPolarHBondContact CD1-SD 3.3Å | ||
| 841 | H | 34.2 | Very low | 30.7 | Very low | 96 Ų | 96 | 63.2 Ų | 63.2 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | trans | -77.6 | 57.6 | 170.9 | -95.6 | -85.2 | 0 | 0 | 0 | 109.6 | T839 T843 | T839-H841 VanDerWaalsContact C-N 3.26Å; T839-H841 PolarHBondContact O-N 2.68Å; H841-T843 HydrophobicContact CB-CG2 4.37Å; H841-T843 PolarHBondContact O-N 3.4Å | ||
| 842 | L | 31.7 | Very low | 31.3 | Very low | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | trans | -60 | 74.7 | 152.4 | -81.3 | 164.6 | 0 | 0 | 0 | 108 | V9 I840 A844 I1023 | V9-L842 HydrophobicContact CB-CD1 4.21Å; V9-L842 HydrophobicContact CG1-CD1 3.85Å; V9-L842 HydrophobicContact CG1-CD2 4.4Å; V9-L842 HydrophobicContact CG2-CD1 4.18Å; V9-L842 HydrophobicContact CG2-CD2 4.42Å; I840-L842 HydrophobicContact CG2-CB 4.13Å; I840-L842 HydrophobicContact CG2-CD1 3.5Å; I840-L842 HydrophobicContact CG2-CG 3.54Å; I840-L842 PolarHBondContact O-N 3.11Å; L842-A844 PolarHBondContact O-N 2.82Å; L842-I1023 HydrophobicContact CD1-CD1 3.56Å | ||
| 843 | T | 32 | Very low | 32 | Very low | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | trans | -74.3 | 74.1 | 170.6 | 50.6 | 0 | 0 | 0 | 0 | 107.8 | H841 L864 | H841-T843 HydrophobicContact CB-CG2 4.37Å; H841-T843 PolarHBondContact O-N 3.4Å; T843-L864 WeakPolarHBondContact O-CD1 3.37Å | ||
| 844 | A | 32.5 | Very low | 32.7 | Very low | 21 Ų | 21 | 64.7 Ų | 64.7 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | trans | -42.5 | 128.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | L842 S846 | L842-A844 PolarHBondContact O-N 2.82Å; A844-S846 PolarHBondContact O-N 3.23Å; A844-S846 PolarHBondContact O-OG 3.45Å | ||
| 845 | P | 30.7 | Very low | 33.2 | Very low | 61 Ų | 61 | 66 Ų | 66 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -78.3 | 58.1 | -160.7 | 30.1 | -34 | 0 | 0 | 0 | 111.8 | L864 R1174 | P845-L864 HydrophobicContact CB-CD1 4.11Å; P845-L864 HydrophobicContact CG-CD1 4.14Å; P845-R1174 PolarHBondContact O-NH1 2.86Å; P845-R1174 PolarHBondContact O-NH2 3.48Å |
| 846 | S | 35.9 | Very low | 33.7 | Very low | 40 Ų | 40 | 65.2 Ų | 65.2 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | trans | -135 | -9.9 | -151 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | A844 R1174 | A844-S846 PolarHBondContact O-N 3.23Å; A844-S846 PolarHBondContact O-OG 3.45Å; S846-R1174 VanDerWaalsContact CA-NH1 3.34Å | ||
| 847 | R | 33.6 | Very low | 34.1 | Very low | 149 Ų | 149 | 67.8 Ų | 67.8 | 56% | 0.562 | 36% | 0.359 | S | S | * | . | trans | -132.8 | 1.6 | -167.5 | -74.4 | -180 | 173.2 | -73.9 | -23.2 | 115.8 | I4 | I4-R847 PolarHBondContact O-NE 3.4Š| ||
| 848 | L | 33.8 | Very low | 34.5 | Very low | 67 Ų | 67 | 72.1 Ų | 72.1 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -76 | 123.8 | 162.5 | -74.1 | 163 | 0 | 0 | 0 | 107.6 | I800 Y850 | I800-L848 HydrophobicContact CD1-CD1 4.21Å; I800-L848 HydrophobicContact CD1-CD2 4.38Å; L848-Y850 HydrophobicContact CB-CD2 4.26Å; L848-Y850 HydrophobicContact CB-CE1 4.23Å; L848-Y850 HydrophobicContact CB-CE2 3.44Å; L848-Y850 VanDerWaalsContact CB-CE2 3.44Å; L848-Y850 VanDerWaalsContact CB-CZ 3.43Å; L848-Y850 WeakPolarHBondContact CB-OH 3.34Å; L848-Y850 WeakPolarHBondContact CD1-OH 3.18Å; L848-Y850 VanDerWaalsContact O-CD2 3.22Å; L848-Y850 WeakPolarHBondContact O-CD2 3.11Å; L848-Y850 PolarHBondContact O-N 3.13Å |
| 849 | K | 32.3 | Very low | 34.6 | Very low | 197 Ų | 197 | 73.7 Ų | 73.7 | 86% | 0.857 | 38% | 0.38 | S | S | * | . | trans | -77.5 | 85.9 | -178.4 | -76.6 | -172.9 | 175.5 | -176.4 | 0 | 110.1 | ||||
| 850 | Y | 34.7 | Very low | 34.9 | Very low | 97 Ų | 97 | 72.9 Ų | 72.9 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | trans | -78 | 134.6 | 170.5 | -56.6 | -70.8 | 0 | 0 | 0 | 110.6 | L848 D855 L859 | L848-Y850 HydrophobicContact CB-CD2 4.26Å; L848-Y850 HydrophobicContact CB-CE1 4.23Å; L848-Y850 HydrophobicContact CB-CE2 3.44Å; L848-Y850 VanDerWaalsContact CB-CE2 3.44Å; L848-Y850 VanDerWaalsContact CB-CZ 3.43Å; L848-Y850 WeakPolarHBondContact CB-OH 3.34Å; L848-Y850 WeakPolarHBondContact CD1-OH 3.18Å; L848-Y850 VanDerWaalsContact O-CD2 3.22Å; L848-Y850 WeakPolarHBondContact O-CD2 3.11Å; L848-Y850 PolarHBondContact O-N 3.13Å; Y850-D855 HydrophobicContact CD1-CB 3.92Å; Y850-D855 HydrophobicContact CG-CB 4.22Å; Y850-L859 HydrophobicContact CD1-CD1 4.01Å; Y850-L859 HydrophobicContact CD2-CD1 3.93Å; Y850-L859 HydrophobicContact CE1-CD1 3.5Å; Y850-L859 VanDerWaalsContact CE1-CD1 3.5Å; Y850-L859 HydrophobicContact CE2-CD1 3.4Å; Y850-L859 VanDerWaalsContact CE2-CD1 3.4Å; Y850-L859 HydrophobicContact CG-CD1 4.2Å; Y850-L859 WeakPolarHBondContact OH-CD1 3.22Å | ||
| 851 | S | 35.5 | Very low | 35.1 | Very low | 115 Ų | 115 | 75.5 Ų | 75.5 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | trans | -97.7 | -10.4 | -176.3 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 852 | T | 36.4 | Very low | 35.4 | Very low | 67 Ų | 67 | 73.4 Ų | 73.4 | 41% | 0.411 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -131.1 | 161.3 | -174.1 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | D855 | T852-D855 PolarHBondContact OG1-OD1 3.01Å; T852-D855 PolarHBondContact OG1-OD2 3.22Å |
| 853 | I | 39.4 | Very low | 36.3 | Very low | 54 Ų | 54 | 74.1 Ų | 74.1 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -81.1 | -27.7 | 179.9 | -65 | 177 | 0 | 0 | 0 | 111.6 | D855 L856 Q857 S1603 | I853-D855 VanDerWaalsContact C-N 3.33Å; I853-D855 PolarHBondContact O-N 3.48Å; I853-L856 PolarHBondContact O-N 3.05Å; I853-Q857 PolarHBondContact O-N 3.28Å; I853-S1603 WeakPolarHBondContact CD1-OG 3.45Å |
| 854 | D | 38.9 | Very low | 37.3 | Very low | 98 Ų | 98 | 72.7 Ų | 72.7 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.4 | -31.9 | 179.3 | -65.1 | -31.7 | 0 | 0 | 0 | 112.3 | L856 Q857 K858 | D854-L856 VanDerWaalsContact C-N 3.3Å; D854-L856 PolarHBondContact O-N 2.78Å; D854-Q857 PolarHBondContact O-N 2.74Å; D854-K858 VanDerWaalsContact O-CG 3.32Å; D854-K858 WeakPolarHBondContact O-CG 3.44Å; D854-K858 PolarHBondContact O-N 2.7Å |
| 855 | D | 37.9 | Very low | 39 | Very low | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 171.9 | -64.2 | -22.8 | 0 | 0 | 0 | 111.2 | Y850 T852 I853 K858 L859 | Y850-D855 HydrophobicContact CD1-CB 3.92Å; Y850-D855 HydrophobicContact CG-CB 4.22Å; T852-D855 PolarHBondContact OG1-OD1 3.01Å; T852-D855 PolarHBondContact OG1-OD2 3.22Å; I853-D855 VanDerWaalsContact C-N 3.33Å; I853-D855 PolarHBondContact O-N 3.48Å; D855-K858 CarbonylContact O-C 3.56Å; D855-K858 PolarHBondContact O-N 3.04Å; D855-L859 WeakPolarHBondContact O-CB 3.17Å; D855-L859 WeakPolarHBondContact O-CD1 3.4Å; D855-L859 WeakPolarHBondContact O-CG 3.46Å; D855-L859 PolarHBondContact O-N 3.33Å |
| 856 | L | 35 | Very low | 41.2 | Very low | 37 Ų | 37 | 69.4 Ų | 69.4 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 177.5 | -72 | 169.8 | 0 | 0 | 0 | 112.2 | I853 D854 L859 C860 | I853-L856 PolarHBondContact O-N 3.05Å; D854-L856 VanDerWaalsContact C-N 3.3Å; D854-L856 PolarHBondContact O-N 2.78Å; L856-L859 PolarHBondContact O-N 2.99Å; L856-C860 PolarHBondContact O-N 2.91Å; L856-C860 PolarHBondContact O-SG 3.28Å |
| 857 | Q | 36.3 | Very low | 43.4 | Very low | 72 Ų | 72 | 67.6 Ų | 67.6 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 172.8 | -76.7 | 177 | 76.5 | 0 | 0 | 111.9 | I853 D854 L859 | I853-Q857 PolarHBondContact O-N 3.28Å; D854-Q857 PolarHBondContact O-N 2.74Å; Q857-L859 PolarHBondContact O-N 2.96Å |
| 858 | K | 37.4 | Very low | 45.6 | Very low | 99 Ų | 99 | 62.6 Ų | 62.6 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -5.5 | 173.5 | -63.1 | 164.9 | -168.4 | 166.2 | 0 | 114.4 | Y579 D854 D855 T861 N862 | Y579-K858 HydrophobicContact CD2-CB 4.41Å; Y579-K858 HydrophobicContact CE2-CB 3.96Å; Y579-K858 WeakPolarHBondContact CE2-O 3.31Å; D854-K858 VanDerWaalsContact O-CG 3.32Å; D854-K858 WeakPolarHBondContact O-CG 3.44Å; D854-K858 PolarHBondContact O-N 2.7Å; D855-K858 CarbonylContact O-C 3.56Å; D855-K858 PolarHBondContact O-N 3.04Å; K858-T861 PolarHBondContact O-OG1 3.01Å; K858-N862 PolarHBondContact O-ND2 3.13Å; K858-N862 VanDerWaalsContact O-ND2 3.16Å |
| 859 | L | 34.5 | Very low | 47.8 | Very low | 55 Ų | 55 | 60.6 Ų | 60.6 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -19.5 | 177 | -78.2 | 158.2 | 0 | 0 | 0 | 113.4 | Y850 D855 L856 Q857 T861 N862 | Y850-L859 HydrophobicContact CD1-CD1 4.01Å; Y850-L859 HydrophobicContact CD2-CD1 3.93Å; Y850-L859 HydrophobicContact CE1-CD1 3.5Å; Y850-L859 VanDerWaalsContact CE1-CD1 3.5Å; Y850-L859 HydrophobicContact CE2-CD1 3.4Å; Y850-L859 VanDerWaalsContact CE2-CD1 3.4Å; Y850-L859 HydrophobicContact CG-CD1 4.2Å; Y850-L859 WeakPolarHBondContact OH-CD1 3.22Å; D855-L859 WeakPolarHBondContact O-CB 3.17Å; D855-L859 WeakPolarHBondContact O-CD1 3.4Å; D855-L859 WeakPolarHBondContact O-CG 3.46Å; D855-L859 PolarHBondContact O-N 3.33Å; L856-L859 PolarHBondContact O-N 2.99Å; Q857-L859 PolarHBondContact O-N 2.96Å; L859-T861 PolarHBondContact O-N 3.34Å; L859-N862 HydrophobicContact CD2-CB 4.19Å; L859-N862 CarbonylContact O-C 3.5Å; L859-N862 WeakPolarHBondContact O-CA 3.49Å; L859-N862 PolarHBondContact O-N 3.45Å |
| 860 | C | 37.2 | Very low | 49.8 | Very low | 45 Ų | 45 | 52.6 Ų | 52.6 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.2 | 165 | -67.8 | 0 | 0 | 0 | 0 | 113 | L856 N863 Q1608 | L856-C860 PolarHBondContact O-N 2.91Å; L856-C860 PolarHBondContact O-SG 3.28Å; C860-N863 PolarHBondContact O-OD1 3.4Å; C860-Q1608 PolarHBondContact SG-NE2 3.41Å |
| 861 | T | 36.8 | Very low | 51.6 | Low | 82 Ų | 82 | 48.7 Ų | 48.7 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.1 | 169.1 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | Y579 K858 L859 | Y579-T861 PolarHBondContact OH-OG1 3.17Å; K858-T861 PolarHBondContact O-OG1 3.01Å; L859-T861 PolarHBondContact O-N 3.34Å |
| 862 | N | 40.4 | Very low | 53.4 | Low | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -115.9 | 41.3 | 179.7 | -78.3 | -83.8 | 0 | 0 | 0 | 110.7 | Q577 K858 L859 L864 | Q577-N862 WeakPolarHBondContact CG-OD1 3.46Å; Q577-N862 PolarHBondContact OE1-ND2 2.99Å; Q577-N862 PolarHBondContact OE1-OD1 3.35Å; K858-N862 PolarHBondContact O-ND2 3.13Å; K858-N862 VanDerWaalsContact O-ND2 3.16Å; L859-N862 HydrophobicContact CD2-CB 4.19Å; L859-N862 CarbonylContact O-C 3.5Å; L859-N862 WeakPolarHBondContact O-CA 3.49Å; L859-N862 PolarHBondContact O-N 3.45Å; N862-L864 PolarHBondContact O-N 2.92Å |
| 863 | N | 50.5 | Low | 54.7 | Low | 42 Ų | 42 | 41 Ų | 41 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 125.4 | 173.4 | -78.3 | -8.5 | 0 | 0 | 0 | 109.8 | C860 | C860-N863 PolarHBondContact O-OD1 3.4Š|
| 864 | L | 53.6 | Low | 55.7 | Low | 27 Ų | 27 | 38.5 Ų | 38.5 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 142.3 | 165.4 | -77.6 | 152 | 0 | 0 | 0 | 108.7 | L797 T843 P845 N862 | L797-L864 HydrophobicContact CD1-CD2 4.38Å; L797-L864 HydrophobicContact CD2-CD2 4.36Å; T843-L864 WeakPolarHBondContact O-CD1 3.37Å; P845-L864 HydrophobicContact CB-CD1 4.11Å; P845-L864 HydrophobicContact CG-CD1 4.14Å; N862-L864 PolarHBondContact O-N 2.92Å |
| 865 | P | 67.5 | Low | 56.3 | Low | 14 Ų | 14 | 35.5 Ų | 35.5 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 138.6 | -179.2 | 27.2 | -36.2 | 0 | 0 | 0 | 110 | Y507 V867 Q868 | Y507-P865 HydrophobicContact CD1-CB 3.91Å; Y507-P865 HydrophobicContact CE1-CB 3.44Å; Y507-P865 VanDerWaalsContact CE1-CB 3.44Å; P865-V867 WeakPolarHBondContact CB-O 3.49Å; P865-V867 PolarHBondContact O-N 3.07Å; P865-V867 VanDerWaalsContact O-N 3.16Å; P865-Q868 HydrophobicContact CG-CG 3.7Å |
| 866 | P | 78.5 | Confident | 56.6 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -66.3 | -16.6 | 179.6 | 29.2 | -35.6 | 0 | 0 | 0 | 112.4 | Y507 W905 D906 L910 F964 | Y507-P866 HydrophobicContact CE2-CG 4.13Å; Y507-P866 VanDerWaalsContact CZ-CD 3.43Å; Y507-P866 WeakPolarHBondContact OH-CD 3.3Å; P866-W905 CarbonylContact O-C 3.57Å; P866-W905 WeakPolarHBondContact O-CA 3.39Å; P866-D906 PolarHBondContact O-N 3.29Å; P866-L910 HydrophobicContact CB-CB 3.75Å; P866-L910 HydrophobicContact CB-CD1 3.9Å; P866-L910 HydrophobicContact CB-CG 4.39Å; P866-L910 HydrophobicContact CG-CD1 4.32Å; P866-F964 HydrophobicContact CG-CD2 4.25Å; P866-F964 HydrophobicContact CG-CE2 4.06Å |
| 867 | V | 82.1 | Confident | 56.8 | Low | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.9 | 173.2 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | Q487 M523 P865 F903 H904 W905 F964 | Q487-V867 PolarHBondContact NE2-O 3.42Å; M523-V867 HydrophobicContact CE-CG1 4.42Å; M523-V867 HydrophobicContact SD-CB 3.79Å; M523-V867 HydrophobicContact SD-CG1 3.97Å; P865-V867 WeakPolarHBondContact CB-O 3.49Å; P865-V867 PolarHBondContact O-N 3.07Å; P865-V867 VanDerWaalsContact O-N 3.16Å; V867-F903 HydrophobicContact CG1-CB 3.97Å; V867-F903 HydrophobicContact CG1-CD1 3.75Å; V867-F903 HydrophobicContact CG1-CG 4.32Å; V867-H904 WeakPolarHBondContact CA-O 3.45Å; V867-W905 HydrophobicContact CG2-CD2 3.58Å; V867-W905 HydrophobicContact CG2-CE3 3.56Å; V867-W905 HydrophobicContact CG2-CG 4.24Å; V867-W905 HydrophobicContact CG2-CH2 3.97Å; V867-W905 HydrophobicContact CG2-CZ2 3.95Å; V867-W905 HydrophobicContact CG2-CZ3 3.76Å; V867-F964 HydrophobicContact CG2-CD1 4.17Å; V867-F964 HydrophobicContact CG2-CE1 3.89Å; V867-F964 HydrophobicContact CG2-CZ 4.41Å |
| 868 | Q | 78.7 | Confident | 56.8 | Low | 44 Ų | 44 | 38.3 Ų | 38.3 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.7 | 173 | -69.1 | 176.9 | 10.5 | 0 | 0 | 110.6 | P865 H904 | P865-Q868 HydrophobicContact CG-CG 3.7Å; Q868-H904 HydrophobicContact CB-CB 4.18Å; Q868-H904 PolarHBondContact N-O 3.05Å; Q868-H904 WeakPolarHBondContact O-CB 3.28Å; Q868-H904 PolarHBondContact O-N 2.81Å |
| 869 | L | 79.2 | Confident | 56.7 | Low | 25 Ų | 25 | 38.3 Ų | 38.3 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.2 | 173.5 | 176.6 | 60.3 | 0 | 0 | 0 | 110.9 | Q487 L509 L871 F901 F903 | Q487-L869 HydrophobicContact CB-CB 4.49Å; L509-L869 HydrophobicContact CD1-CD2 4.45Å; L509-L869 HydrophobicContact CD2-CB 4.43Å; L509-L869 HydrophobicContact CD2-CD2 3.74Å; L869-L871 HydrophobicContact CD1-CD2 3.89Å; L869-L871 HydrophobicContact CD1-CG 4.43Å; L869-L871 HydrophobicContact CD2-CD2 4.15Å; L869-L871 HydrophobicContact CD2-CG 4.44Å; L869-L871 HydrophobicContact CG-CD2 4.11Å; L869-L871 HydrophobicContact CG-CG 4.24Å; L869-F901 HydrophobicContact CD1-CB 3.93Å; L869-F901 HydrophobicContact CD1-CD1 3.99Å; L869-F901 HydrophobicContact CD1-CG 4.46Å; L869-F901 HydrophobicContact CD2-CD1 4.34Å; L869-F903 HydrophobicContact CB-CD1 4.46Å; L869-F903 HydrophobicContact CB-CE1 4.23Å; L869-F903 HydrophobicContact CD1-CD1 4.19Å; L869-F903 HydrophobicContact CD1-CE1 3.77Å; L869-F903 HydrophobicContact CD1-CE2 4.43Å; L869-F903 HydrophobicContact CD1-CZ 3.9Å; L869-F903 HydrophobicContact CG-CE1 4.42Å |
| 870 | Y | 76.2 | Confident | 56.5 | Low | 30 Ų | 30 | 39.6 Ų | 39.6 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.5 | 164.4 | 177.1 | -83.3 | 0 | 0 | 0 | 108.6 | F794 S836 I872 V902 M1029 | F794-Y870 HydrophobicContact CD1-CD2 4.28Å; F794-Y870 HydrophobicContact CD1-CE2 4.37Å; F794-Y870 AromaticContact CE1-CD2 3.51Å; F794-Y870 HydrophobicContact CE1-CD2 3.51Å; F794-Y870 AromaticContact CE1-CE2 3.35Å; F794-Y870 HydrophobicContact CE1-CE2 3.35Å; F794-Y870 HydrophobicContact CE1-CG 4.38Å; F794-Y870 HydrophobicContact CZ-CD2 4.33Å; F794-Y870 AromaticContact CZ-CE2 3.72Å; F794-Y870 HydrophobicContact CZ-CE2 3.72Å; S836-Y870 PolarHBondContact O-OH 3.18Å; Y870-I872 HydrophobicContact CD1-CG1 4.3Å; Y870-I872 HydrophobicContact CE1-CG1 3.91Å; Y870-V902 HydrophobicContact CD1-CB 4.24Å; Y870-V902 HydrophobicContact CD1-CG2 4.26Å; Y870-V902 PolarHBondContact N-O 3.32Å; Y870-V902 PolarHBondContact O-N 3.4Å; Y870-M1029 HydrophobicContact CD1-CE 3.7Å; Y870-M1029 HydrophobicContact CE1-CE 3.44Å; Y870-M1029 VanDerWaalsContact CE1-CE 3.44Å; Y870-M1029 HydrophobicContact CG-CE 4.35Å |
| 871 | L | 71.6 | Confident | 56.4 | Low | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.7 | -174 | -65.6 | 171.4 | 0 | 0 | 0 | 111 | C485 F792 L869 P898 F901 | C485-L871 HydrophobicContact CB-CD1 3.78Å; C485-L871 WeakPolarHBondContact O-CD1 3.49Å; F792-L871 HydrophobicContact CB-CB 4.32Å; F792-L871 HydrophobicContact CB-CD1 4.43Å; F792-L871 HydrophobicContact CD1-CB 4Å; F792-L871 HydrophobicContact CD1-CD1 3.57Å; F792-L871 HydrophobicContact CD1-CG 4.4Å; F792-L871 HydrophobicContact CE1-CD1 4.32Å; F792-L871 HydrophobicContact CG-CB 4.12Å; F792-L871 HydrophobicContact CG-CD1 4.32Å; L869-L871 HydrophobicContact CD1-CD2 3.89Å; L869-L871 HydrophobicContact CD1-CG 4.43Å; L869-L871 HydrophobicContact CD2-CD2 4.15Å; L869-L871 HydrophobicContact CD2-CG 4.44Å; L869-L871 HydrophobicContact CG-CD2 4.11Å; L869-L871 HydrophobicContact CG-CG 4.24Å; L871-P898 HydrophobicContact CD2-CB 4.04Å; L871-F901 HydrophobicContact CD2-CB 4.45Å; L871-F901 HydrophobicContact CD2-CD1 3.36Å; L871-F901 HydrophobicContact CD2-CE1 3.63Å; L871-F901 HydrophobicContact CD2-CG 3.94Å; L871-F901 HydrophobicContact CD2-CZ 4.42Å |
| 872 | I | 73.3 | Confident | 56.2 | Low | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.2 | 174.5 | -51.9 | -178.5 | 0 | 0 | 0 | 107.8 | M61 T63 Y870 P898 A899 A900 V902 L1031 | M61-I872 HydrophobicContact CE-CD1 3.44Å; M61-I872 VanDerWaalsContact CE-CD1 3.44Å; M61-I872 HydrophobicContact CE-CG2 3.84Å; T63-I872 HydrophobicContact CG2-CD1 4.37Å; Y870-I872 HydrophobicContact CD1-CG1 4.3Å; Y870-I872 HydrophobicContact CE1-CG1 3.91Å; I872-P898 CarbonylContact O-C 3.53Å; I872-P898 WeakPolarHBondContact O-CA 3.23Å; I872-A899 PolarHBondContact O-N 3.13Å; I872-A900 HydrophobicContact CB-CB 4.01Å; I872-A900 HydrophobicContact CD1-CB 3.93Å; I872-A900 HydrophobicContact CG1-CB 4.09Å; I872-A900 PolarHBondContact N-O 2.96Å; I872-A900 VanDerWaalsContact N-O 3.07Å; I872-A900 PolarHBondContact O-N 2.91Å; I872-V902 HydrophobicContact CD1-CG2 4.01Å; I872-V902 HydrophobicContact CG1-CG2 4.31Å; I872-L1031 HydrophobicContact CD1-CD1 3.37Å |
| 873 | G | 63.8 | Low | 55.7 | Low | 12 Ų | 12 | 52.3 Ų | 52.3 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 162.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F792 | F792-G873 VanDerWaalsContact CE2-CA 3.42Å |
| 874 | S | 60.2 | Low | 54.8 | Low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.2 | 164 | 162.6 | 0 | 0 | 0 | 0 | 110.4 | P19 D21 T876 S896 G897 | P19-S874 WeakPolarHBondContact O-CB 3.46Å; P19-S874 PolarHBondContact O-OG 3.08Å; D21-S874 VanDerWaalsContact OD2-CA 3.28Å; D21-S874 WeakPolarHBondContact OD2-CA 3.27Å; D21-S874 VanDerWaalsContact OD2-CB 3.29Å; D21-S874 WeakPolarHBondContact OD2-CB 3.5Å; D21-S874 PolarHBondContact OD2-OG 3.23Å; S874-T876 WeakPolarHBondContact OG-CG2 3.24Å; S874-S896 VanDerWaalsContact O-CB 3.28Å; S874-S896 WeakPolarHBondContact O-CB 3.49Å; S874-G897 PolarHBondContact N-O 3Å |
| 875 | R | 52.3 | Low | 53.7 | Low | 36 Ų | 36 | 60.1 Ų | 60.1 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | trans | -98 | 54.7 | 176.4 | -47.4 | -178.9 | 82.4 | 160.9 | 9.4 | 110.4 | D21 D42 P786 S787 F789 V877 | D21-R875 HydrophobicContact CB-CB 4.26Å; D21-R875 HydrophobicContact CB-CG 4.42Å; D21-R875 WeakPolarHBondContact OD2-CA 3.39Å; D21-R875 PolarHBondContact OD2-N 2.66Å; D42-R875 IonicContact OD1-CZ 2.71Å; D42-R875 IonicContact OD1-NH1 3.65Å; D42-R875 PolarHBondContact OD1-NH1 3.24Å; D42-R875 WeakPolarHBondContact OD2-CD 3.41Å; P786-R875 PolarHBondContact O-NH1 2.69Å; P786-R875 PolarHBondContact O-NH2 3.17Å; S787-R875 WeakPolarHBondContact O-CD 3.49Å; F789-R875 HydrophobicContact CD2-CB 4.47Å; R875-V877 PolarHBondContact O-N 3.17Å | ||
| 876 | T | 43.5 | Very low | 52.4 | Low | 37 Ų | 37 | 65.9 Ų | 65.9 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | trans | -65.3 | 64.8 | 173 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | S874 T878 N895 S896 | S874-T876 WeakPolarHBondContact OG-CG2 3.24Å; T876-T878 VanDerWaalsContact C-N 3.32Å; T876-T878 PolarHBondContact O-N 3.43Å; T876-T878 VanDerWaalsContact O-N 3.1Å; T876-N895 PolarHBondContact OG1-O 3.21Å; T876-N895 VanDerWaalsContact OG1-O 3.12Å; T876-S896 VanDerWaalsContact OG1-CA 3.3Å; T876-S896 WeakPolarHBondContact OG1-CA 3.35Å; T876-S896 PolarHBondContact OG1-N 2.99Å; T876-S896 VanDerWaalsContact OG1-N 3.08Å | ||
| 877 | V | 39.8 | Very low | 50.4 | Low | 87 Ų | 87 | 73.2 Ų | 73.2 | 53% | 0.527 | 39% | 0.391 | S | S | . | . | trans | -77.3 | 89.2 | 163.2 | -174.6 | 0 | 0 | 0 | 0 | 106.2 | F789 R875 N879 | F789-V877 HydrophobicContact CD2-CG2 4.3Å; F789-V877 HydrophobicContact CE2-CG2 4.42Å; R875-V877 PolarHBondContact O-N 3.17Å; V877-N879 VanDerWaalsContact C-N 3.31Å; V877-N879 WeakPolarHBondContact CG1-OD1 3.34Å; V877-N879 PolarHBondContact O-N 3.31Å | ||
| 878 | T | 34.7 | Very low | 48.1 | Very low | 93 Ų | 93 | 80.4 Ų | 80.4 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | trans | -63.6 | 97.1 | 165.2 | 52.2 | 0 | 0 | 0 | 0 | 107.6 | T876 S880 | T876-T878 VanDerWaalsContact C-N 3.32Å; T876-T878 PolarHBondContact O-N 3.43Å; T876-T878 VanDerWaalsContact O-N 3.1Å; T878-S880 VanDerWaalsContact C-N 3.26Å; T878-S880 PolarHBondContact O-N 3.01Å | ||
| 879 | N | 35.8 | Very low | 45.7 | Very low | 98 Ų | 98 | 86.5 Ų | 86.5 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | trans | -66.2 | 85 | 177.6 | -91.3 | -6.2 | 0 | 0 | 0 | 109.9 | V877 Q881 | V877-N879 VanDerWaalsContact C-N 3.31Å; V877-N879 WeakPolarHBondContact CG1-OD1 3.34Å; V877-N879 PolarHBondContact O-N 3.31Å; N879-Q881 PolarHBondContact O-N 2.9Å | ||
| 880 | S | 31.2 | Very low | 43.4 | Very low | 83 Ų | 83 | 92.6 Ų | 92.6 | 58% | 0.58 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 49.9 | 168.6 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | T878 | T878-S880 VanDerWaalsContact C-N 3.26Å; T878-S880 PolarHBondContact O-N 3.01Å |
| 881 | Q | 33.9 | Very low | 41.5 | Very low | 145 Ų | 145 | 98.9 Ų | 98.9 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -13.1 | 165.6 | -72.1 | -169.9 | -29.6 | 0 | 0 | 111.6 | N879 K883 | N879-Q881 PolarHBondContact O-N 2.9Å; Q881-K883 PolarHBondContact O-N 2.74Å |
| 882 | D | 32.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 105.1 Ų | 105.1 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -66.2 | 85 | 163.1 | -77.6 | -24.7 | 0 | 0 | 0 | 109.4 | ||
| 883 | K | 31.6 | Very low | 38.4 | Very low | 189 Ų | 189 | 110.1 Ų | 110.1 | 82% | 0.822 | 58% | 0.575 | S | S | * | * | trans | 49.3 | 93.9 | -179.8 | -68.3 | -176.5 | 177.8 | 179.2 | 0 | 114.8 | Q881 D885 | Q881-K883 PolarHBondContact O-N 2.74Å; K883-D885 PolarHBondContact O-N 3.07Å | ||
| 884 | V | 30.4 | Very low | 37.6 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | trans | -62.4 | 100.9 | 155.2 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | I886 | V884-I886 HydrophobicContact CG1-CG1 4.39Å; V884-I886 PolarHBondContact O-N 3.36Å | ||
| 885 | D | 30.7 | Very low | 37.1 | Very low | 131 Ų | 131 | 115 Ų | 115 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | trans | -65.5 | 109.2 | 155.2 | -83 | -31.9 | 0 | 0 | 0 | 107.2 | K883 N887 N888 | K883-D885 PolarHBondContact O-N 3.07Å; D885-N887 PolarHBondContact O-N 3.22Å; D885-N888 PolarHBondContact O-N 3.35Å | ||
| 886 | I | 39.7 | Very low | 37.3 | Very low | 136 Ų | 136 | 113.5 Ų | 113.5 | 70% | 0.697 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -9.1 | -166.3 | -63.5 | 173 | 0 | 0 | 0 | 113.3 | V884 | V884-I886 HydrophobicContact CG1-CG1 4.39Å; V884-I886 PolarHBondContact O-N 3.36Å |
| 887 | N | 36.7 | Very low | 38.2 | Very low | 154 Ų | 154 | 111.9 Ų | 111.9 | 82% | 0.824 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -1.9 | -175.4 | -60.4 | -17.1 | 0 | 0 | 0 | 114.8 | D885 | D885-N887 PolarHBondContact O-N 3.22Š|
| 888 | N | 34.1 | Very low | 39.7 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 81% | 0.807 | 56% | 0.555 | S | S | * | * | trans | -118.4 | 51.8 | 178.2 | -93.9 | -26.4 | 0 | 0 | 0 | 112.9 | D885 N890 | D885-N888 PolarHBondContact O-N 3.35Å; N888-N890 VanDerWaalsContact C-N 3.29Å; N888-N890 PolarHBondContact O-N 3.48Å | ||
| 889 | E | 29.2 | Very low | 41.7 | Very low | 172 Ų | 172 | 103.5 Ų | 103.5 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | trans | -65.5 | 84.6 | 161.6 | -68 | -168.7 | 150.9 | 0 | 0 | 110.6 | ||||
| 890 | N | 30.1 | Very low | 43.9 | Very low | 153 Ų | 153 | 98.8 Ų | 98.8 | 82% | 0.818 | 50% | 0.503 | S | S | * | . | trans | 174.6 | 98 | 148.1 | -97.2 | -58.4 | 0 | 0 | 0 | 112.4 | N888 | N888-N890 VanDerWaalsContact C-N 3.29Å; N888-N890 PolarHBondContact O-N 3.48Å | ||
| 891 | Q | 36.1 | Very low | 46.4 | Very low | 163 Ų | 163 | 94.9 Ų | 94.9 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | trans | 150.6 | 94 | 144.1 | -84.8 | 176.9 | 32.8 | 0 | 0 | 111.3 | K893 | Q891-K893 PolarHBondContact O-N 3.44Š| ||
| 892 | L | 38.4 | Very low | 48.8 | Very low | 144 Ų | 144 | 88 Ų | 88 | 75% | 0.754 | 44% | 0.443 | S | S | * | . | trans | -66.3 | 100.6 | 158.1 | -79.7 | 162.2 | 0 | 0 | 0 | 108.3 | W894 | L892-W894 PolarHBondContact O-N 3.07Š| ||
| 893 | K | 41.1 | Very low | 51.4 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | trans | -71.9 | 93.8 | 177.8 | -75.8 | -171.6 | 176.5 | -179.3 | 0 | 110.9 | Q891 N895 | Q891-K893 PolarHBondContact O-N 3.44Å; K893-N895 PolarHBondContact O-N 3.05Å | ||
| 894 | W | 46.7 | Very low | 53.9 | Low | 67 Ų | 67 | 74.1 Ų | 74.1 | 25% | 0.254 | 38% | 0.377 | S | S | . | . | trans | -70.3 | 77.8 | 167.4 | -79.2 | 75.4 | 0 | 0 | 0 | 110.1 | P564 M622 L790 L892 S896 | P564-W894 HydrophobicContact CG-CB 4.32Å; M622-W894 HydrophobicContact CE-CG 4.5Å; M622-W894 HydrophobicContact SD-CD2 4.41Å; M622-W894 HydrophobicContact SD-CG 4.24Å; L790-W894 HydrophobicContact CD2-CE3 3.92Å; L790-W894 HydrophobicContact CD2-CZ3 3.81Å; L892-W894 PolarHBondContact O-N 3.07Å; W894-S896 VanDerWaalsContact C-N 3.27Å | ||
| 895 | N | 50.1 | Low | 56.5 | Low | 46 Ų | 46 | 69.3 Ų | 69.3 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | trans | -84.2 | 2.3 | 177.6 | -84.2 | 20.1 | 0 | 0 | 0 | 113.3 | T876 K893 | T876-N895 PolarHBondContact OG1-O 3.21Å; T876-N895 VanDerWaalsContact OG1-O 3.12Å; K893-N895 PolarHBondContact O-N 3.05Å | ||
| 896 | S | 55.8 | Low | 59.1 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | trans | -65 | 144.6 | -179.3 | 41.9 | 0 | 0 | 0 | 0 | 112 | L790 S874 T876 W894 | L790-S896 VanDerWaalsContact CD1-O 3.24Å; L790-S896 WeakPolarHBondContact CD1-O 3.4Å; L790-S896 WeakPolarHBondContact CD1-OG 3.46Å; S874-S896 VanDerWaalsContact O-CB 3.28Å; S874-S896 WeakPolarHBondContact O-CB 3.49Å; T876-S896 VanDerWaalsContact OG1-CA 3.3Å; T876-S896 WeakPolarHBondContact OG1-CA 3.35Å; T876-S896 PolarHBondContact OG1-N 2.99Å; T876-S896 VanDerWaalsContact OG1-N 3.08Å; W894-S896 VanDerWaalsContact C-N 3.27Å | ||
| 897 | G | 63.4 | Low | 61.3 | Low | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112 | V482 S874 A899 | V482-G897 WeakPolarHBondContact O-CA 3.41Å; S874-G897 PolarHBondContact N-O 3Å; G897-A899 PolarHBondContact O-N 3.27Å |
| 898 | P | 72.2 | Confident | 63.5 | Low | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.1 | 177.5 | 29.8 | -30 | 0 | 0 | 0 | 110.6 | A16 V482 F792 L871 I872 A900 F901 | A16-P898 WeakPolarHBondContact CB-O 3.37Å; V482-P898 HydrophobicContact CB-CG 4.38Å; V482-P898 HydrophobicContact CG1-CG 4.03Å; V482-P898 WeakPolarHBondContact O-CD 3.42Å; F792-P898 HydrophobicContact CE1-CB 3.81Å; F792-P898 HydrophobicContact CE1-CG 4.1Å; F792-P898 HydrophobicContact CZ-CB 4.04Å; L871-P898 HydrophobicContact CD2-CB 4.04Å; I872-P898 CarbonylContact O-C 3.53Å; I872-P898 WeakPolarHBondContact O-CA 3.23Å; P898-A900 VanDerWaalsContact C-N 3.28Å; P898-F901 HydrophobicContact CB-CE2 4.15Å; P898-F901 HydrophobicContact CB-CZ 4.13Å; P898-F901 HydrophobicContact CG-CE1 4.14Å; P898-F901 HydrophobicContact CG-CE2 3.72Å; P898-F901 HydrophobicContact CG-CZ 3.39Å |
| 899 | A | 76.1 | Confident | 65.6 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -25.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A16 P20 I872 G897 | A16-A899 PolarHBondContact N-O 2.95Å; P20-A899 VanDerWaalsContact CA-CB 3.48Å; P20-A899 HydrophobicContact CB-CB 3.75Å; I872-A899 PolarHBondContact O-N 3.13Å; G897-A899 PolarHBondContact O-N 3.27Å |
| 900 | A | 81.2 | Confident | 68.2 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 146.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V13 T14 W15 I872 P898 | V13-A900 HydrophobicContact CG1-CB 4.08Å; T14-A900 WeakPolarHBondContact O-CA 3.1Å; W15-A900 HydrophobicContact CD2-CB 4.21Å; W15-A900 HydrophobicContact CE3-CB 3.58Å; W15-A900 HydrophobicContact CH2-CB 4.41Å; W15-A900 HydrophobicContact CZ3-CB 3.71Å; I872-A900 HydrophobicContact CB-CB 4.01Å; I872-A900 HydrophobicContact CD1-CB 3.93Å; I872-A900 HydrophobicContact CG1-CB 4.09Å; I872-A900 PolarHBondContact N-O 2.96Å; I872-A900 VanDerWaalsContact N-O 3.07Å; I872-A900 PolarHBondContact O-N 2.91Å; P898-A900 VanDerWaalsContact C-N 3.28Å |
| 901 | F | 84.9 | Confident | 70.7 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.3 | 169 | -62.4 | -103.8 | 0 | 0 | 0 | 108.1 | T14 A16 I427 V482 C485 F511 L869 L871 P898 F903 | T14-F901 PolarHBondContact N-O 3.39Å; T14-F901 PolarHBondContact O-N 2.68Å; A16-F901 HydrophobicContact CB-CE2 4.43Å; I427-F901 HydrophobicContact CD1-CD2 3.63Å; I427-F901 HydrophobicContact CD1-CE2 3.41Å; I427-F901 VanDerWaalsContact CD1-CE2 3.41Å; I427-F901 HydrophobicContact CD1-CZ 4.17Å; V482-F901 HydrophobicContact CG1-CZ 4.36Å; C485-F901 HydrophobicContact CB-CE1 4.14Å; F511-F901 HydrophobicContact CD1-CE1 4.31Å; F511-F901 AromaticContact CE1-CE1 3.75Å; F511-F901 HydrophobicContact CE1-CE1 3.75Å; F511-F901 HydrophobicContact CE1-CZ 4.35Å; L869-F901 HydrophobicContact CD1-CB 3.93Å; L869-F901 HydrophobicContact CD1-CD1 3.99Å; L869-F901 HydrophobicContact CD1-CG 4.46Å; L869-F901 HydrophobicContact CD2-CD1 4.34Å; L871-F901 HydrophobicContact CD2-CB 4.45Å; L871-F901 HydrophobicContact CD2-CD1 3.36Å; L871-F901 HydrophobicContact CD2-CE1 3.63Å; L871-F901 HydrophobicContact CD2-CG 3.94Å; L871-F901 HydrophobicContact CD2-CZ 4.42Å; P898-F901 HydrophobicContact CB-CE2 4.15Å; P898-F901 HydrophobicContact CB-CZ 4.13Å; P898-F901 HydrophobicContact CG-CE1 4.14Å; P898-F901 HydrophobicContact CG-CE2 3.72Å; P898-F901 HydrophobicContact CG-CZ 3.39Å; F901-F903 HydrophobicContact CB-CE2 3.8Å; F901-F903 HydrophobicContact CB-CZ 4.23Å |
| 902 | V | 83.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 105.2 | -177.8 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | P11 V13 Y870 I872 H904 M1029 L1031 | P11-V902 HydrophobicContact CB-CG1 3.7Å; V13-V902 HydrophobicContact CG1-CG2 4.24Å; V13-V902 HydrophobicContact CG2-CG1 4.35Å; V13-V902 HydrophobicContact CG2-CG2 4.28Å; Y870-V902 HydrophobicContact CD1-CB 4.24Å; Y870-V902 HydrophobicContact CD1-CG2 4.26Å; Y870-V902 PolarHBondContact N-O 3.32Å; Y870-V902 PolarHBondContact O-N 3.4Å; I872-V902 HydrophobicContact CD1-CG2 4.01Å; I872-V902 HydrophobicContact CG1-CG2 4.31Å; V902-H904 PolarHBondContact O-ND1 3.43Å; V902-M1029 HydrophobicContact CG1-SD 4.49Å; V902-L1031 HydrophobicContact CG1-CD2 4.36Å; V902-L1031 HydrophobicContact CG2-CD1 3.89Å |
| 903 | F | 87.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 104.5 | 178.1 | -67.3 | -75.4 | 0 | 0 | 0 | 110.3 | P11 F12 L509 F526 L527 V867 L869 F901 W905 | P11-F903 CarbonylContact C-O 3.59Å; P11-F903 WeakPolarHBondContact CA-O 3.34Å; F12-F903 PolarHBondContact N-O 2.93Å; F12-F903 PolarHBondContact O-N 3.43Å; L509-F903 HydrophobicContact CD1-CE1 4.26Å; L509-F903 HydrophobicContact CD1-CZ 4.42Å; F526-F903 HydrophobicContact CD1-CZ 4.09Å; F526-F903 HydrophobicContact CE1-CE2 4.48Å; F526-F903 AromaticContact CE1-CZ 3.89Å; F526-F903 HydrophobicContact CE1-CZ 3.89Å; L527-F903 HydrophobicContact CD2-CD1 3.86Å; L527-F903 HydrophobicContact CD2-CD2 3.84Å; L527-F903 HydrophobicContact CD2-CE1 3.88Å; L527-F903 HydrophobicContact CD2-CE2 3.86Å; L527-F903 HydrophobicContact CD2-CG 3.83Å; L527-F903 HydrophobicContact CD2-CZ 3.88Å; V867-F903 HydrophobicContact CG1-CB 3.97Å; V867-F903 HydrophobicContact CG1-CD1 3.75Å; V867-F903 HydrophobicContact CG1-CG 4.32Å; L869-F903 HydrophobicContact CB-CD1 4.46Å; L869-F903 HydrophobicContact CB-CE1 4.23Å; L869-F903 HydrophobicContact CD1-CD1 4.19Å; L869-F903 HydrophobicContact CD1-CE1 3.77Å; L869-F903 HydrophobicContact CD1-CE2 4.43Å; L869-F903 HydrophobicContact CD1-CZ 3.9Å; L869-F903 HydrophobicContact CG-CE1 4.42Å; F901-F903 HydrophobicContact CB-CE2 3.8Å; F901-F903 HydrophobicContact CB-CZ 4.23Å; F903-W905 PolarHBondContact O-N 2.99Å |
| 904 | H | 83.8 | Confident | 76.4 | Confident | 8 Ų | 8 | 8.7 Ų | 8.7 | 4% | 0.037 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 102.9 | 174.8 | -69.3 | 86.5 | 0 | 0 | 0 | 110 | V9 V867 Q868 V902 M1029 | V9-H904 HydrophobicContact CG1-CB 3.98Å; V867-H904 WeakPolarHBondContact CA-O 3.45Å; Q868-H904 HydrophobicContact CB-CB 4.18Å; Q868-H904 PolarHBondContact N-O 3.05Å; Q868-H904 WeakPolarHBondContact O-CB 3.28Å; Q868-H904 PolarHBondContact O-N 2.81Å; V902-H904 PolarHBondContact O-ND1 3.43Å; H904-M1029 PolarHBondContact NE2-SD 3.34Å; H904-M1029 VanDerWaalsContact NE2-SD 3.41Å |
| 905 | W | 86.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 107.9 | 175.1 | -72.3 | 76.2 | 0 | 0 | 0 | 110.2 | V9 I10 F12 L527 P866 V867 F903 I907 F964 I967 I968 | V9-W905 CarbonylContact C-O 3.31Å; V9-W905 VanDerWaalsContact CA-O 3.28Å; V9-W905 WeakPolarHBondContact CA-O 3.35Å; I10-W905 PolarHBondContact N-O 2.79Å; I10-W905 PolarHBondContact O-N 3.32Å; F12-W905 AromaticContact CD2-CD1 3.63Å; F12-W905 HydrophobicContact CD2-CG 4.31Å; L527-W905 HydrophobicContact CD1-CZ2 4.18Å; P866-W905 CarbonylContact O-C 3.57Å; P866-W905 WeakPolarHBondContact O-CA 3.39Å; V867-W905 HydrophobicContact CG2-CD2 3.58Å; V867-W905 HydrophobicContact CG2-CE3 3.56Å; V867-W905 HydrophobicContact CG2-CG 4.24Å; V867-W905 HydrophobicContact CG2-CH2 3.97Å; V867-W905 HydrophobicContact CG2-CZ2 3.95Å; V867-W905 HydrophobicContact CG2-CZ3 3.76Å; F903-W905 PolarHBondContact O-N 2.99Å; W905-I907 PolarHBondContact O-N 3.16Å; W905-F964 HydrophobicContact CH2-CB 4.26Å; W905-F964 AromaticContact CH2-CD1 3.69Å; W905-F964 HydrophobicContact CH2-CD1 3.69Å; W905-F964 HydrophobicContact CH2-CG 4.38Å; W905-F964 HydrophobicContact CZ3-CB 4.02Å; W905-F964 HydrophobicContact CZ3-CD1 4.01Å; W905-F964 HydrophobicContact CZ3-CG 4.33Å; W905-F964 WeakPolarHBondContact CZ3-O 3.09Å; W905-I967 HydrophobicContact CH2-CB 3.98Å; W905-I967 HydrophobicContact CH2-CG2 3.83Å; W905-I967 HydrophobicContact CZ2-CB 4.3Å; W905-I967 HydrophobicContact CZ2-CG2 3.63Å; W905-I968 HydrophobicContact CB-CD1 4.19Å; W905-I968 HydrophobicContact CD2-CD1 3.69Å; W905-I968 HydrophobicContact CD2-CG1 4.25Å; W905-I968 HydrophobicContact CE3-CB 3.86Å; W905-I968 HydrophobicContact CE3-CD1 3.81Å; W905-I968 HydrophobicContact CE3-CG1 3.82Å; W905-I968 HydrophobicContact CG-CD1 3.89Å; W905-I968 HydrophobicContact CH2-CB 4.14Å; W905-I968 HydrophobicContact CZ3-CB 3.66Å; W905-I968 HydrophobicContact CZ3-CD1 4.4Å; W905-I968 HydrophobicContact CZ3-CG1 4.17Å; W905-I968 HydrophobicContact CZ3-CG2 4.37Å |
| 906 | D | 84.1 | Confident | 78.9 | Confident | 9 Ų | 9 | 6.4 Ų | 6.4 | 5% | 0.048 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 98.1 | 170.8 | -178.5 | 7.1 | 0 | 0 | 0 | 109.9 | V9 P866 E908 S909 L910 | V9-D906 HydrophobicContact CG2-CB 4.02Å; P866-D906 PolarHBondContact O-N 3.29Å; D906-E908 PolarHBondContact O-N 2.86Å; D906-E908 VanDerWaalsContact OD1-CB 3.31Å; D906-E908 WeakPolarHBondContact OD1-CB 3.35Å; D906-E908 PolarHBondContact OD1-N 3.06Å; D906-S909 PolarHBondContact O-N 3.22Å; D906-S909 PolarHBondContact OD1-N 3.43Å; D906-S909 VanDerWaalsContact OD2-CB 3.28Å; D906-S909 WeakPolarHBondContact OD2-CB 3.42Å; D906-S909 PolarHBondContact OD2-N 3.15Å; D906-S909 PolarHBondContact OD2-OG 3.36Å; D906-L910 PolarHBondContact O-N 2.69Å |
| 907 | I | 85.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.1 | -29 | 178.8 | -54.9 | -62.7 | 0 | 0 | 0 | 111.3 | T8 I10 W905 I911 I968 | T8-I907 WeakPolarHBondContact O-CG1 3.35Å; T8-I907 PolarHBondContact O-N 2.85Å; I10-I907 HydrophobicContact CD1-CG1 4.31Å; W905-I907 PolarHBondContact O-N 3.16Å; I907-I911 HydrophobicContact CG2-CD1 3.91Å; I907-I911 HydrophobicContact CG2-CG1 4.48Å; I907-I911 WeakPolarHBondContact O-CB 3.47Å; I907-I911 VanDerWaalsContact O-CD1 3.29Å; I907-I911 WeakPolarHBondContact O-CD1 3.3Å; I907-I911 WeakPolarHBondContact O-CG1 3.45Å; I907-I911 PolarHBondContact O-N 3.04Å; I907-I968 HydrophobicContact CD1-CD1 4.25Å; I907-I968 HydrophobicContact CD1-CG1 3.75Å |
| 908 | E | 82.9 | Confident | 80.2 | Confident | 8 Ų | 8 | 8.5 Ų | 8.5 | 4% | 0.037 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | 176.1 | -165.1 | -176.1 | 134.7 | 0 | 0 | 111.1 | D906 I911 V912 R1174 C1175 I1178 | D906-E908 PolarHBondContact O-N 2.86Å; D906-E908 VanDerWaalsContact OD1-CB 3.31Å; D906-E908 WeakPolarHBondContact OD1-CB 3.35Å; D906-E908 PolarHBondContact OD1-N 3.06Å; E908-I911 PolarHBondContact O-N 2.79Å; E908-V912 VanDerWaalsContact O-CG2 3.22Å; E908-V912 WeakPolarHBondContact O-CG2 3.17Å; E908-V912 PolarHBondContact O-N 3.02Å; E908-R1174 IonicContact OE1-CZ 3.59Å; E908-R1174 IonicContact OE1-NE 3.69Å; E908-R1174 PolarHBondContact OE1-NE 3.1Å; E908-R1174 IonicContact OE1-NH2 2.87Å; E908-R1174 PolarHBondContact OE1-NH2 2.88Å; E908-C1175 HydrophobicContact CG-CB 3.94Å; E908-I1178 HydrophobicContact CB-CD1 3.87Å; E908-I1178 HydrophobicContact CG-CD1 3.97Å |
| 909 | S | 77.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 11.7 Ų | 11.7 | 4% | 0.042 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 176.4 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | D906 V912 D913 | D906-S909 PolarHBondContact O-N 3.22Å; D906-S909 PolarHBondContact OD1-N 3.43Å; D906-S909 VanDerWaalsContact OD2-CB 3.28Å; D906-S909 WeakPolarHBondContact OD2-CB 3.42Å; D906-S909 PolarHBondContact OD2-N 3.15Å; D906-S909 PolarHBondContact OD2-OG 3.36Å; S909-V912 PolarHBondContact O-N 2.94Å; S909-D913 WeakPolarHBondContact O-CB 3.41Å; S909-D913 PolarHBondContact O-N 3.4Å |
| 910 | L | 84 | Confident | 79.4 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 172.4 | -178.5 | 60.4 | 0 | 0 | 0 | 112 | P866 D906 V912 D913 I914 F964 I968 L1073 | P866-L910 HydrophobicContact CB-CB 3.75Å; P866-L910 HydrophobicContact CB-CD1 3.9Å; P866-L910 HydrophobicContact CB-CG 4.39Å; P866-L910 HydrophobicContact CG-CD1 4.32Å; D906-L910 PolarHBondContact O-N 2.69Å; L910-V912 VanDerWaalsContact C-N 3.3Å; L910-V912 PolarHBondContact O-N 2.8Å; L910-D913 PolarHBondContact O-N 3.14Å; L910-I914 HydrophobicContact CD1-CD1 3.88Å; L910-I914 HydrophobicContact CD1-CG1 4.37Å; L910-I914 HydrophobicContact CG-CD1 3.94Å; L910-I914 WeakPolarHBondContact O-CD1 3.38Å; L910-I914 VanDerWaalsContact O-CG1 3.3Å; L910-I914 WeakPolarHBondContact O-CG1 3.12Å; L910-I914 PolarHBondContact O-N 3.28Å; L910-I914 VanDerWaalsContact O-N 3.11Å; L910-F964 HydrophobicContact CD1-CB 4.38Å; L910-I968 HydrophobicContact CD2-CG2 4.23Å; L910-L1073 HydrophobicContact CD2-CD2 4.29Å |
| 911 | I | 83.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.3 | -70.7 | 161.8 | 0 | 0 | 0 | 111 | I907 E908 I914 L915 L1076 C1175 P1177 I1178 | I907-I911 HydrophobicContact CG2-CD1 3.91Å; I907-I911 HydrophobicContact CG2-CG1 4.48Å; I907-I911 WeakPolarHBondContact O-CB 3.47Å; I907-I911 VanDerWaalsContact O-CD1 3.29Å; I907-I911 WeakPolarHBondContact O-CD1 3.3Å; I907-I911 WeakPolarHBondContact O-CG1 3.45Å; I907-I911 PolarHBondContact O-N 3.04Å; E908-I911 PolarHBondContact O-N 2.79Å; I911-I914 PolarHBondContact O-N 2.87Å; I911-L915 HydrophobicContact CG2-CD1 3.74Å; I911-L915 HydrophobicContact CG2-CG 4.36Å; I911-L915 WeakPolarHBondContact O-CB 3.25Å; I911-L915 VanDerWaalsContact O-CG 3.25Å; I911-L915 WeakPolarHBondContact O-CG 3.44Å; I911-L915 PolarHBondContact O-N 2.82Å; I911-L1076 HydrophobicContact CB-CD2 4.27Å; I911-L1076 HydrophobicContact CG1-CD2 3.9Å; I911-L1076 HydrophobicContact CG2-CD1 4.29Å; I911-L1076 HydrophobicContact CG2-CD2 4.32Å; I911-C1175 VanDerWaalsContact CG2-SG 3.55Å; I911-P1177 HydrophobicContact CD1-CB 4.35Å; I911-P1177 HydrophobicContact CG2-CG 3.94Å; I911-I1178 HydrophobicContact CD1-CD1 4.03Å; I911-I1178 HydrophobicContact CD1-CG1 3.69Å |
| 912 | V | 76.6 | Confident | 77.5 | Confident | 19 Ų | 19 | 15 Ų | 15 | 12% | 0.115 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | -179.1 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | E908 S909 L910 L915 S916 L1609 | E908-V912 VanDerWaalsContact O-CG2 3.22Å; E908-V912 WeakPolarHBondContact O-CG2 3.17Å; E908-V912 PolarHBondContact O-N 3.02Å; S909-V912 PolarHBondContact O-N 2.94Å; L910-V912 VanDerWaalsContact C-N 3.3Å; L910-V912 PolarHBondContact O-N 2.8Å; V912-L915 PolarHBondContact O-N 3.2Å; V912-S916 WeakPolarHBondContact O-CB 3.33Å; V912-S916 PolarHBondContact O-N 3.02Å; V912-L1609 HydrophobicContact CB-CD1 4.49Å; V912-L1609 HydrophobicContact CG1-CD1 3.98Å; V912-L1609 HydrophobicContact CG2-CD1 3.64Å; V912-L1609 HydrophobicContact CG2-CD2 3.9Å; V912-L1609 HydrophobicContact CG2-CG 3.74Å |
| 913 | D | 76.5 | Confident | 76.4 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.032 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.3 | -34.3 | 177.1 | -179.1 | 54.3 | 0 | 0 | 0 | 112.8 | S909 L910 S916 R917 Q961 | S909-D913 WeakPolarHBondContact O-CB 3.41Å; S909-D913 PolarHBondContact O-N 3.4Å; L910-D913 PolarHBondContact O-N 3.14Å; D913-S916 PolarHBondContact O-OG 2.92Å; D913-S916 VanDerWaalsContact O-OG 3.04Å; D913-R917 WeakPolarHBondContact O-CG 3.34Å; D913-R917 IonicContact OD1-CZ 2.7Å; D913-R917 IonicContact OD1-NE 3.2Å; D913-R917 PolarHBondContact OD1-NE 3.23Å; D913-R917 IonicContact OD1-NH2 2.71Å; D913-R917 PolarHBondContact OD1-NH2 3.29Å; D913-R917 IonicContact OD2-CZ 2.84Å; D913-R917 IonicContact OD2-NE 2.73Å; D913-R917 IonicContact OD2-NH2 2.74Å; D913-R917 PolarHBondContact OD2-NH2 3.13Å; D913-Q961 PolarHBondContact O-NE2 2.93Å; D913-Q961 PolarHBondContact OD2-NE2 3.28Å |
| 914 | I | 82 | Confident | 75.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.9 | -43.6 | 173.5 | -65.1 | 166.2 | 0 | 0 | 0 | 110.3 | L910 I911 S916 R917 N918 Q961 L965 L1076 L1080 Y1084 | L910-I914 HydrophobicContact CD1-CD1 3.88Å; L910-I914 HydrophobicContact CD1-CG1 4.37Å; L910-I914 HydrophobicContact CG-CD1 3.94Å; L910-I914 WeakPolarHBondContact O-CD1 3.38Å; L910-I914 VanDerWaalsContact O-CG1 3.3Å; L910-I914 WeakPolarHBondContact O-CG1 3.12Å; L910-I914 PolarHBondContact O-N 3.28Å; L910-I914 VanDerWaalsContact O-N 3.11Å; I911-I914 PolarHBondContact O-N 2.87Å; I914-S916 PolarHBondContact O-N 2.79Å; I914-R917 PolarHBondContact O-N 3.47Å; I914-N918 WeakPolarHBondContact O-CB 3.2Å; I914-N918 PolarHBondContact O-N 2.99Å; I914-Q961 HydrophobicContact CG1-CG 4.43Å; I914-L965 HydrophobicContact CD1-CD1 4.05Å; I914-L965 HydrophobicContact CD1-CD2 3.86Å; I914-L965 HydrophobicContact CD1-CG 4.06Å; I914-L1076 HydrophobicContact CB-CD2 4.12Å; I914-L1076 HydrophobicContact CD1-CD2 3.84Å; I914-L1076 HydrophobicContact CG2-CD1 4.44Å; I914-L1076 HydrophobicContact CG2-CD2 4.04Å; I914-L1080 HydrophobicContact CG2-CD1 4.04Å; I914-L1080 HydrophobicContact CG2-CD2 4.1Å; I914-Y1084 HydrophobicContact CG2-CE1 3.78Å |
| 915 | L | 78.6 | Confident | 74.1 | Confident | 30 Ų | 30 | 23.6 Ų | 23.6 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 178.1 | -75.4 | 173.8 | 0 | 0 | 0 | 113 | I911 V912 R917 Y919 L1076 L1080 C1607 | I911-L915 HydrophobicContact CG2-CD1 3.74Å; I911-L915 HydrophobicContact CG2-CG 4.36Å; I911-L915 WeakPolarHBondContact O-CB 3.25Å; I911-L915 VanDerWaalsContact O-CG 3.25Å; I911-L915 WeakPolarHBondContact O-CG 3.44Å; I911-L915 PolarHBondContact O-N 2.82Å; V912-L915 PolarHBondContact O-N 3.2Å; L915-R917 PolarHBondContact O-N 2.92Å; L915-Y919 PolarHBondContact O-N 3.34Å; L915-L1076 HydrophobicContact CD1-CD1 4.4Å; L915-L1076 HydrophobicContact CD2-CD1 3.7Å; L915-L1076 HydrophobicContact CG-CD1 3.78Å; L915-L1080 HydrophobicContact CD2-CD2 4.23Å; L915-C1607 HydrophobicContact CB-CB 4.17Å; L915-C1607 VanDerWaalsContact O-CB 3.23Å; L915-C1607 WeakPolarHBondContact O-CB 3.29Å |
| 916 | S | 71 | Confident | 72.6 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.3 | 72.4 | 0 | 0 | 0 | 0 | 112.3 | V912 D913 I914 Y919 G920 | V912-S916 WeakPolarHBondContact O-CB 3.33Å; V912-S916 PolarHBondContact O-N 3.02Å; D913-S916 PolarHBondContact O-OG 2.92Å; D913-S916 VanDerWaalsContact O-OG 3.04Å; I914-S916 PolarHBondContact O-N 2.79Å; S916-Y919 WeakPolarHBondContact O-CB 3.47Å; S916-Y919 PolarHBondContact O-N 2.95Å; S916-G920 PolarHBondContact O-N 3.32Å |
| 917 | R | 70.8 | Confident | 71.3 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -77.4 | -37.5 | 179.8 | -59.9 | -175.3 | -151.3 | 176.8 | -1.4 | 112.5 | D913 I914 L915 Y919 G920 V921 M957 Q961 Y1084 | D913-R917 WeakPolarHBondContact O-CG 3.34Å; D913-R917 IonicContact OD1-CZ 2.7Å; D913-R917 IonicContact OD1-NE 3.2Å; D913-R917 PolarHBondContact OD1-NE 3.23Å; D913-R917 IonicContact OD1-NH2 2.71Å; D913-R917 PolarHBondContact OD1-NH2 3.29Å; D913-R917 IonicContact OD2-CZ 2.84Å; D913-R917 IonicContact OD2-NE 2.73Å; D913-R917 IonicContact OD2-NH2 2.74Å; D913-R917 PolarHBondContact OD2-NH2 3.13Å; I914-R917 PolarHBondContact O-N 3.47Å; L915-R917 PolarHBondContact O-N 2.92Å; R917-Y919 PolarHBondContact O-N 2.95Å; R917-G920 PolarHBondContact O-N 2.88Å; R917-V921 PolarHBondContact O-N 3.11Å; R917-M957 PolarHBondContact NH1-O 3.26Å; R917-Q961 VanDerWaalsContact CZ-CD 3.4Å; R917-Q961 VanDerWaalsContact NE-NE2 3.17Å; R917-Y1084 HydrophobicContact CB-CE2 4.26Å |
| 918 | N | 75.2 | Confident | 69.8 | Low | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52 | -38 | 168.1 | 176 | 77.5 | 0 | 0 | 0 | 112.4 | I914 S922 L1080 N1081 Y1084 | I914-N918 WeakPolarHBondContact O-CB 3.2Å; I914-N918 PolarHBondContact O-N 2.99Å; N918-S922 PolarHBondContact O-N 3.48Å; N918-L1080 HydrophobicContact CB-CD2 3.96Å; N918-N1081 VanDerWaalsContact OD1-CB 3.24Å; N918-N1081 WeakPolarHBondContact OD1-CB 3.44Å; N918-N1081 PolarHBondContact OD1-N 2.97Å; N918-Y1084 HydrophobicContact CB-CD1 3.54Å; N918-Y1084 HydrophobicContact CB-CE1 3.82Å; N918-Y1084 HydrophobicContact CB-CG 4.16Å |
| 919 | Y | 66.4 | Low | 68.4 | Low | 71 Ų | 71 | 41.7 Ų | 41.7 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.5 | -43 | 174.1 | -175.4 | -91.6 | 0 | 0 | 0 | 113.2 | L915 S916 R917 V921 S922 K923 K1605 C1607 | L915-Y919 PolarHBondContact O-N 3.34Å; S916-Y919 WeakPolarHBondContact O-CB 3.47Å; S916-Y919 PolarHBondContact O-N 2.95Å; R917-Y919 PolarHBondContact O-N 2.95Å; Y919-V921 PolarHBondContact O-N 2.97Å; Y919-S922 WeakPolarHBondContact O-CB 3.37Å; Y919-S922 PolarHBondContact O-N 3.42Å; Y919-S922 VanDerWaalsContact O-N 3.07Å; Y919-K923 PolarHBondContact O-N 2.95Å; Y919-K1605 HydrophobicContact CE1-CD 4.33Å; Y919-K1605 HydrophobicContact CE2-CB 3.83Å; Y919-K1605 HydrophobicContact CE2-CG 4.39Å; Y919-C1607 HydrophobicContact CD2-CB 4.39Å; Y919-C1607 HydrophobicContact CG-CB 4.44Å |
| 920 | G | 64.9 | Low | 67 | Low | 28 Ų | 28 | 46.5 Ų | 46.5 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.8 | -51.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S916 R917 S922 K923 D924 | S916-G920 PolarHBondContact O-N 3.32Å; R917-G920 PolarHBondContact O-N 2.88Å; G920-S922 PolarHBondContact O-N 3.13Å; G920-K923 WeakPolarHBondContact O-CB 3.38Å; G920-K923 PolarHBondContact O-N 3.43Å; G920-D924 PolarHBondContact O-N 3.31Å; G920-D924 VanDerWaalsContact O-N 3.08Å |
| 921 | V | 65.6 | Low | 65.4 | Low | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.7 | -38.6 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | R917 Y919 K923 I925 N1083 Y1084 | R917-V921 PolarHBondContact O-N 3.11Å; Y919-V921 PolarHBondContact O-N 2.97Å; V921-K923 VanDerWaalsContact C-N 3.31Å; V921-K923 PolarHBondContact O-N 3.18Å; V921-I925 HydrophobicContact CG1-CD1 3.93Å; V921-I925 WeakPolarHBondContact O-CD1 3.33Å; V921-I925 WeakPolarHBondContact O-CG1 3.06Å; V921-I925 PolarHBondContact O-N 3.01Å; V921-N1083 HydrophobicContact CG1-CB 4.04Å; V921-Y1084 HydrophobicContact CG2-CD2 3.96Å |
| 922 | S | 60.1 | Low | 63.7 | Low | 36 Ų | 36 | 61.1 Ų | 61.1 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.7 | -23.6 | 177.9 | -162.8 | 0 | 0 | 0 | 0 | 113.6 | N918 Y919 G920 N926 N1081 | N918-S922 PolarHBondContact O-N 3.48Å; Y919-S922 WeakPolarHBondContact O-CB 3.37Å; Y919-S922 PolarHBondContact O-N 3.42Å; Y919-S922 VanDerWaalsContact O-N 3.07Å; G920-S922 PolarHBondContact O-N 3.13Å; S922-N926 VanDerWaalsContact O-CG 3.3Å; S922-N926 PolarHBondContact O-ND2 3.16Å; S922-N1081 PolarHBondContact OG-ND2 3.38Å |
| 923 | K | 61.1 | Low | 62.1 | Low | 92 Ų | 92 | 64.9 Ų | 64.9 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -77.7 | -49 | 174.7 | -178.7 | -179.6 | 171.5 | -69 | 0 | 110.8 | Y919 G920 V921 I925 N926 E927 | Y919-K923 PolarHBondContact O-N 2.95Å; G920-K923 WeakPolarHBondContact O-CB 3.38Å; G920-K923 PolarHBondContact O-N 3.43Å; V921-K923 VanDerWaalsContact C-N 3.31Å; V921-K923 PolarHBondContact O-N 3.18Å; K923-I925 VanDerWaalsContact C-N 3.27Å; K923-I925 PolarHBondContact O-N 2.72Å; K923-N926 PolarHBondContact O-N 2.85Å; K923-N926 VanDerWaalsContact O-N 3.13Å; K923-E927 WeakPolarHBondContact CE-OE1 3.44Å; K923-E927 IonicContact NZ-OE1 2.83Å; K923-E927 PolarHBondContact NZ-OE1 3.37Å; K923-E927 IonicContact NZ-OE2 2.82Å; K923-E927 PolarHBondContact NZ-OE2 3.2Å; K923-E927 PolarHBondContact O-N 2.96Å |
| 924 | D | 62.3 | Low | 60.3 | Low | 52 Ų | 52 | 68.2 Ų | 68.2 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.8 | -43.5 | -179.2 | -61 | -18.9 | 0 | 0 | 0 | 111.8 | G920 E927 M928 | G920-D924 PolarHBondContact O-N 3.31Å; G920-D924 VanDerWaalsContact O-N 3.08Å; D924-E927 PolarHBondContact O-N 3.18Å; D924-M928 PolarHBondContact O-N 2.79Å |
| 925 | I | 60.1 | Low | 58.2 | Low | 45 Ų | 45 | 73.1 Ų | 73.1 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 179.8 | -68.4 | 170 | 0 | 0 | 0 | 111.5 | V921 K923 E927 M928 I929 N1083 | V921-I925 HydrophobicContact CG1-CD1 3.93Å; V921-I925 WeakPolarHBondContact O-CD1 3.33Å; V921-I925 WeakPolarHBondContact O-CG1 3.06Å; V921-I925 PolarHBondContact O-N 3.01Å; K923-I925 VanDerWaalsContact C-N 3.27Å; K923-I925 PolarHBondContact O-N 2.72Å; I925-E927 VanDerWaalsContact C-N 3.33Å; I925-E927 PolarHBondContact O-N 3.47Å; I925-M928 PolarHBondContact O-N 3.18Å; I925-I929 HydrophobicContact CG2-CD1 3.8Å; I925-I929 HydrophobicContact CG2-CG1 4.5Å; I925-I929 VanDerWaalsContact O-CG1 3.28Å; I925-I929 WeakPolarHBondContact O-CG1 3.27Å; I925-I929 PolarHBondContact O-N 3.29Å; I925-N1083 HydrophobicContact CD1-CB 3.61Å; I925-N1083 WeakPolarHBondContact CD1-OD1 3.37Å |
| 926 | N | 55.4 | Low | 56.2 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 178.2 | -73.4 | -14.7 | 0 | 0 | 0 | 111.8 | S922 K923 I929 N930 | S922-N926 VanDerWaalsContact O-CG 3.3Å; S922-N926 PolarHBondContact O-ND2 3.16Å; K923-N926 PolarHBondContact O-N 2.85Å; K923-N926 VanDerWaalsContact O-N 3.13Å; N926-I929 PolarHBondContact O-N 2.87Å; N926-N930 WeakPolarHBondContact O-CB 3.44Å; N926-N930 VanDerWaalsContact O-CG 3.25Å; N926-N930 PolarHBondContact O-N 3.2Å; N926-N930 PolarHBondContact O-ND2 2.73Å |
| 927 | E | 57.4 | Low | 54.4 | Low | 86 Ų | 86 | 83.8 Ų | 83.8 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 175.5 | -73 | 173.9 | 171.1 | 0 | 0 | 111.7 | K923 D924 I925 N930 Y931 | K923-E927 WeakPolarHBondContact CE-OE1 3.44Å; K923-E927 IonicContact NZ-OE1 2.83Å; K923-E927 PolarHBondContact NZ-OE1 3.37Å; K923-E927 IonicContact NZ-OE2 2.82Å; K923-E927 PolarHBondContact NZ-OE2 3.2Å; K923-E927 PolarHBondContact O-N 2.96Å; D924-E927 PolarHBondContact O-N 3.18Å; I925-E927 VanDerWaalsContact C-N 3.33Å; I925-E927 PolarHBondContact O-N 3.47Å; E927-N930 PolarHBondContact O-N 2.91Å; E927-Y931 WeakPolarHBondContact O-CD2 3.3Å; E927-Y931 PolarHBondContact O-N 3.37Å |
| 928 | M | 53.2 | Low | 52.6 | Low | 123 Ų | 123 | 88 Ų | 88 | 61% | 0.606 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 171 | -79.3 | -168.7 | 161.6 | 0 | 0 | 113.3 | D924 I925 Y931 N932 | D924-M928 PolarHBondContact O-N 2.79Å; I925-M928 PolarHBondContact O-N 3.18Å; M928-Y931 PolarHBondContact O-N 2.88Å; M928-N932 WeakPolarHBondContact O-CB 3.21Å; M928-N932 PolarHBondContact O-N 3.43Å; M928-N932 PolarHBondContact O-ND2 3.47Å |
| 929 | I | 55.1 | Low | 50.7 | Low | 99 Ų | 99 | 94 Ų | 94 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.3 | -71.1 | 165.9 | 0 | 0 | 0 | 110.4 | I925 N926 N932 S933 | I925-I929 HydrophobicContact CG2-CD1 3.8Å; I925-I929 HydrophobicContact CG2-CG1 4.5Å; I925-I929 VanDerWaalsContact O-CG1 3.28Å; I925-I929 WeakPolarHBondContact O-CG1 3.27Å; I925-I929 PolarHBondContact O-N 3.29Å; N926-I929 PolarHBondContact O-N 2.87Å; I929-N932 PolarHBondContact O-N 2.69Å; I929-S933 PolarHBondContact O-N 3.1Å |
| 930 | N | 47.3 | Very low | 48.9 | Very low | 107 Ų | 107 | 100 Ų | 100 | 57% | 0.572 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 177.8 | -72.3 | -20.3 | 0 | 0 | 0 | 112 | N926 E927 N932 S933 | N926-N930 WeakPolarHBondContact O-CB 3.44Å; N926-N930 VanDerWaalsContact O-CG 3.25Å; N926-N930 PolarHBondContact O-N 3.2Å; N926-N930 PolarHBondContact O-ND2 2.73Å; E927-N930 PolarHBondContact O-N 2.91Å; N930-N932 PolarHBondContact O-N 3.4Å; N930-S933 PolarHBondContact O-N 3.11Å; N930-S933 VanDerWaalsContact O-N 3.17Å; N930-S933 PolarHBondContact O-OG 2.84Å |
| 931 | Y | 49.8 | Very low | 47.4 | Very low | 176 Ų | 176 | 105 Ų | 105 | 69% | 0.69 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.9 | -49 | 175.9 | -100.3 | -83.1 | 0 | 0 | 0 | 112.1 | E927 M928 S933 S934 | E927-Y931 WeakPolarHBondContact O-CD2 3.3Å; E927-Y931 PolarHBondContact O-N 3.37Å; M928-Y931 PolarHBondContact O-N 2.88Å; Y931-S933 PolarHBondContact O-N 2.62Å; Y931-S933 VanDerWaalsContact O-N 3.09Å; Y931-S934 PolarHBondContact O-N 2.89Å; Y931-S934 PolarHBondContact O-OG 2.93Å |
| 932 | N | 47.8 | Very low | 45.9 | Very low | 131 Ų | 131 | 111 Ų | 111 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -16.7 | 179.6 | -72.8 | -27.2 | 0 | 0 | 0 | 114.1 | M928 I929 N930 | M928-N932 WeakPolarHBondContact O-CB 3.21Å; M928-N932 PolarHBondContact O-N 3.43Å; M928-N932 PolarHBondContact O-ND2 3.47Å; I929-N932 PolarHBondContact O-N 2.69Å; N930-N932 PolarHBondContact O-N 3.4Å |
| 933 | S | 44.3 | Very low | 44.7 | Very low | 98 Ų | 98 | 114.5 Ų | 114.5 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -11.2 | 175 | 77.3 | 0 | 0 | 0 | 0 | 114.4 | I929 N930 Y931 | I929-S933 PolarHBondContact O-N 3.1Å; N930-S933 PolarHBondContact O-N 3.11Å; N930-S933 VanDerWaalsContact O-N 3.17Å; N930-S933 PolarHBondContact O-OG 2.84Å; Y931-S933 PolarHBondContact O-N 2.62Å; Y931-S933 VanDerWaalsContact O-N 3.09Å |
| 934 | S | 38.4 | Very low | 43.5 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | -12.3 | -162.2 | 69 | 0 | 0 | 0 | 0 | 116.7 | Y931 | Y931-S934 PolarHBondContact O-N 2.89Å; Y931-S934 PolarHBondContact O-OG 2.93Å |
| 935 | T | 37.5 | Very low | 42.5 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | trans | -141 | 103.6 | -175.2 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 936 | I | 36.1 | Very low | 41.5 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 86% | 0.862 | 68% | 0.682 | S | S | * | * | trans | -125.9 | 67.3 | 162 | -50.6 | -178.6 | 0 | 0 | 0 | 109.2 | ||||
| 937 | T | 33.4 | Very low | 40.6 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -149.2 | 103.1 | 165.8 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 938 | T | 33.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | 28 | 108.6 | 148 | 56 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 939 | T | 34.5 | Very low | 38.9 | Very low | 139 Ų | 139 | 118 Ų | 118 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | -175.4 | 148.1 | 110 | 22.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 940 | E | 29.5 | Very low | 38.3 | Very low | 195 Ų | 195 | 118.4 Ų | 118.4 | 91% | 0.911 | 68% | 0.684 | S | S | * | * | trans | -84.7 | 117.7 | 179.8 | -62.8 | 178.1 | 132.4 | 0 | 0 | 110.9 | ||||
| 941 | T | 33.7 | Very low | 38.2 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 82% | 0.816 | 68% | 0.68 | S | S | * | * | trans | -136.9 | 141.9 | 161.4 | 46.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 942 | T | 33 | Very low | 38 | Very low | 132 Ų | 132 | 115.3 Ų | 115.3 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 130.9 | -173.3 | 40.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 943 | P | 34.7 | Very low | 38.1 | Very low | 110 Ų | 110 | 111.7 Ų | 111.7 | 71% | 0.714 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 134.4 | 177.1 | 28.4 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 944 | T | 36 | Very low | 38.7 | Very low | 109 Ų | 109 | 109.1 Ų | 109.1 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 159.2 | 176.9 | 48 | 0 | 0 | 0 | 0 | 111.9 | S946 | T944-S946 PolarHBondContact O-N 2.87Š|
| 945 | S | 41.9 | Very low | 39.7 | Very low | 105 Ų | 105 | 110.9 Ų | 110.9 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -71.3 | -1.1 | -164.2 | 45.7 | 0 | 0 | 0 | 0 | 116.5 | S947 S948 | S945-S947 VanDerWaalsContact C-N 3.28Å; S945-S947 PolarHBondContact O-N 3.41Å; S945-S948 PolarHBondContact O-OG 3.09Å |
| 946 | S | 38.5 | Very low | 40.7 | Very low | 88 Ų | 88 | 108.6 Ų | 108.6 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -67.5 | -19.2 | -174.5 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | T944 S948 | T944-S946 PolarHBondContact O-N 2.87Å; S946-S948 VanDerWaalsContact C-N 3.32Å; S946-S948 PolarHBondContact O-N 2.85Å |
| 947 | S | 38 | Very low | 42.1 | Very low | 79 Ų | 79 | 100.9 Ų | 100.9 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -79.5 | -7.4 | -176.7 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | S945 | S945-S947 VanDerWaalsContact C-N 3.28Å; S945-S947 PolarHBondContact O-N 3.41Å |
| 948 | S | 39.3 | Very low | 43.8 | Very low | 61 Ų | 61 | 95.2 Ų | 95.2 | 43% | 0.427 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -61.9 | 179.2 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | S945 S946 Y950 R951 | S945-S948 PolarHBondContact O-OG 3.09Å; S946-S948 VanDerWaalsContact C-N 3.32Å; S946-S948 PolarHBondContact O-N 2.85Å; S948-Y950 PolarHBondContact O-N 2.76Å; S948-R951 WeakPolarHBondContact O-CB 3.47Å; S948-R951 PolarHBondContact O-N 2.94Å |
| 949 | L | 35.3 | Very low | 45.6 | Very low | 119 Ų | 119 | 91.3 Ų | 91.3 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -50.5 | -37.8 | -174.4 | -64.5 | 167.7 | 0 | 0 | 0 | 114.2 | R951 D952 D953 | L949-R951 VanDerWaalsContact C-N 3.26Å; L949-R951 PolarHBondContact O-N 2.69Å; L949-D952 PolarHBondContact O-N 3.3Å; L949-D953 PolarHBondContact O-N 2.79Å |
| 950 | Y | 41.1 | Very low | 47.6 | Very low | 108 Ų | 108 | 85.1 Ų | 85.1 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -26.9 | 179.1 | -175.4 | -121.4 | 0 | 0 | 0 | 113.7 | P501 S948 I954 | P501-Y950 HydrophobicContact CB-CD2 3.67Å; P501-Y950 HydrophobicContact CB-CE2 3.83Å; P501-Y950 HydrophobicContact CG-CD2 3.37Å; P501-Y950 HydrophobicContact CG-CE2 4.07Å; P501-Y950 HydrophobicContact CG-CG 3.97Å; S948-Y950 PolarHBondContact O-N 2.76Å; Y950-I954 HydrophobicContact CD1-CD1 4.2Å; Y950-I954 HydrophobicContact CD2-CD1 4.26Å; Y950-I954 HydrophobicContact CE1-CD1 3.8Å; Y950-I954 HydrophobicContact CE2-CD1 3.89Å; Y950-I954 HydrophobicContact CG-CD1 4.43Å; Y950-I954 WeakPolarHBondContact O-CD1 3.36Å; Y950-I954 WeakPolarHBondContact O-CG1 3.18Å |
| 951 | R | 46.7 | Very low | 49.9 | Very low | 129 Ų | 129 | 75.8 Ų | 75.8 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76 | -38.7 | 175 | -77.3 | -178.6 | 162.3 | 150.8 | -4.8 | 112.1 | S948 L949 F955 | S948-R951 WeakPolarHBondContact O-CB 3.47Å; S948-R951 PolarHBondContact O-N 2.94Å; L949-R951 VanDerWaalsContact C-N 3.26Å; L949-R951 PolarHBondContact O-N 2.69Å; R951-F955 WeakPolarHBondContact O-CB 3.43Å; R951-F955 PolarHBondContact O-N 2.79Å |
| 952 | D | 45.7 | Very low | 52.1 | Low | 88 Ų | 88 | 69.5 Ų | 69.5 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | -173.6 | -59.6 | -35.5 | 0 | 0 | 0 | 110.9 | L949 I954 F955 T956 | L949-D952 PolarHBondContact O-N 3.3Å; D952-I954 PolarHBondContact O-N 2.75Å; D952-F955 WeakPolarHBondContact O-CB 3.48Å; D952-F955 PolarHBondContact O-N 2.91Å; D952-T956 WeakPolarHBondContact O-CG2 3.24Å; D952-T956 PolarHBondContact O-N 3.39Å |
| 953 | D | 48.7 | Very low | 54.4 | Low | 55 Ų | 55 | 63.5 Ų | 63.5 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 176.2 | -80.9 | -14.5 | 0 | 0 | 0 | 112.3 | T503 L949 F955 T956 M957 | T503-D953 VanDerWaalsContact CB-OD2 3.25Å; T503-D953 WeakPolarHBondContact CB-OD2 3.46Å; T503-D953 WeakPolarHBondContact CG2-OD2 3.3Å; L949-D953 PolarHBondContact O-N 2.79Å; D953-F955 VanDerWaalsContact C-N 3.28Å; D953-F955 PolarHBondContact O-N 3.15Å; D953-T956 PolarHBondContact O-N 3.41Å; D953-T956 PolarHBondContact O-OG1 2.67Å; D953-M957 PolarHBondContact O-N 2.86Å; D953-M957 VanDerWaalsContact O-N 3.16Å |
| 954 | I | 57.1 | Low | 56.9 | Low | 44 Ų | 44 | 58.2 Ų | 58.2 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 177.1 | -67.8 | 174.5 | 0 | 0 | 0 | 110.6 | Y950 D952 T956 M957 D958 | Y950-I954 HydrophobicContact CD1-CD1 4.2Å; Y950-I954 HydrophobicContact CD2-CD1 4.26Å; Y950-I954 HydrophobicContact CE1-CD1 3.8Å; Y950-I954 HydrophobicContact CE2-CD1 3.89Å; Y950-I954 HydrophobicContact CG-CD1 4.43Å; Y950-I954 WeakPolarHBondContact O-CD1 3.36Å; Y950-I954 WeakPolarHBondContact O-CG1 3.18Å; D952-I954 PolarHBondContact O-N 2.75Å; I954-T956 PolarHBondContact O-N 3.1Å; I954-M957 WeakPolarHBondContact O-CB 3.19Å; I954-M957 PolarHBondContact O-N 3.34Å; I954-D958 PolarHBondContact O-N 3.23Å |
| 955 | F | 59.9 | Low | 59.3 | Low | 115 Ų | 115 | 53.1 Ų | 53.1 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.6 | -173.6 | -99 | 0 | 0 | 0 | 112.2 | R951 D952 D953 M957 D958 V959 T1091 | R951-F955 WeakPolarHBondContact O-CB 3.43Å; R951-F955 PolarHBondContact O-N 2.79Å; D952-F955 WeakPolarHBondContact O-CB 3.48Å; D952-F955 PolarHBondContact O-N 2.91Å; D953-F955 VanDerWaalsContact C-N 3.28Å; D953-F955 PolarHBondContact O-N 3.15Å; F955-M957 PolarHBondContact O-N 3.19Å; F955-D958 PolarHBondContact O-N 2.89Å; F955-V959 HydrophobicContact CD1-CG2 4.09Å; F955-V959 HydrophobicContact CE1-CG2 3.8Å; F955-V959 HydrophobicContact CZ-CG2 4.1Å; F955-V959 VanDerWaalsContact O-CG2 3.28Å; F955-V959 WeakPolarHBondContact O-CG2 3.38Å; F955-V959 PolarHBondContact O-N 2.97Å; F955-T1091 HydrophobicContact CD2-CG2 4.1Å; F955-T1091 HydrophobicContact CE2-CG2 3.61Å; F955-T1091 HydrophobicContact CZ-CG2 4.02Å |
| 956 | T | 59.4 | Low | 61.3 | Low | 53 Ų | 53 | 48.4 Ų | 48.4 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -32.2 | 175.4 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | D952 D953 I954 T960 | D952-T956 WeakPolarHBondContact O-CG2 3.24Å; D952-T956 PolarHBondContact O-N 3.39Å; D953-T956 PolarHBondContact O-N 3.41Å; D953-T956 PolarHBondContact O-OG1 2.67Å; I954-T956 PolarHBondContact O-N 3.1Å; T956-T960 WeakPolarHBondContact O-CB 3.22Å; T956-T960 PolarHBondContact O-N 3.4Å; T956-T960 PolarHBondContact O-OG1 3.03Å |
| 957 | M | 63.7 | Low | 63.6 | Low | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.1 | -40 | 177.3 | -82.9 | -53.5 | 99.1 | 0 | 0 | 112.8 | Q490 I504 P506 R917 D953 I954 F955 T960 Q961 | Q490-M957 PolarHBondContact NE2-SD 2.98Å; I504-M957 HydrophobicContact CB-CG 4.17Å; I504-M957 HydrophobicContact CB-SD 4.42Å; I504-M957 HydrophobicContact CG2-CG 4.16Å; I504-M957 HydrophobicContact CG2-SD 3.81Å; I504-M957 WeakPolarHBondContact O-CE 3.48Å; P506-M957 HydrophobicContact CB-CE 3.75Å; R917-M957 PolarHBondContact NH1-O 3.26Å; D953-M957 PolarHBondContact O-N 2.86Å; D953-M957 VanDerWaalsContact O-N 3.16Å; I954-M957 WeakPolarHBondContact O-CB 3.19Å; I954-M957 PolarHBondContact O-N 3.34Å; F955-M957 PolarHBondContact O-N 3.19Å; M957-T960 WeakPolarHBondContact O-CB 3.27Å; M957-T960 PolarHBondContact O-N 2.93Å; M957-Q961 PolarHBondContact O-N 2.98Å |
| 958 | D | 69.2 | Low | 65.9 | Low | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.2 | -38.1 | 174.8 | -69.2 | -21.8 | 0 | 0 | 0 | 111.6 | I954 F955 T960 Q961 A962 R1087 L1088 T1091 | I954-D958 PolarHBondContact O-N 3.23Å; F955-D958 PolarHBondContact O-N 2.89Å; D958-T960 VanDerWaalsContact C-N 3.3Å; D958-T960 PolarHBondContact O-N 3.26Å; D958-Q961 PolarHBondContact O-N 3.33Å; D958-A962 VanDerWaalsContact O-CB 3.25Å; D958-A962 WeakPolarHBondContact O-CB 3.38Å; D958-A962 PolarHBondContact O-N 3.04Å; D958-R1087 WeakPolarHBondContact OD2-CD 3.49Å; D958-R1087 IonicContact OD2-NH1 3.6Å; D958-L1088 HydrophobicContact CB-CD2 4.36Å; D958-T1091 HydrophobicContact CB-CG2 4.41Å |
| 959 | V | 72.7 | Confident | 68.2 | Low | 45 Ų | 45 | 37.8 Ų | 37.8 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 171.8 | 170.7 | 0 | 0 | 0 | 0 | 112 | F955 T963 T1091 | F955-V959 HydrophobicContact CD1-CG2 4.09Å; F955-V959 HydrophobicContact CE1-CG2 3.8Å; F955-V959 HydrophobicContact CZ-CG2 4.1Å; F955-V959 VanDerWaalsContact O-CG2 3.28Å; F955-V959 WeakPolarHBondContact O-CG2 3.38Å; F955-V959 PolarHBondContact O-N 2.97Å; V959-T963 WeakPolarHBondContact O-CB 3.34Å; V959-T963 PolarHBondContact O-N 3.42Å; V959-T963 PolarHBondContact O-OG1 3.1Å; V959-T1091 HydrophobicContact CG2-CG2 3.56Å |
| 960 | T | 74.9 | Confident | 70.5 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -49 | 177 | -67.9 | 0 | 0 | 0 | 0 | 111 | Y507 V524 T956 M957 D958 T963 F964 | Y507-T960 HydrophobicContact CD2-CG2 4.35Å; V524-T960 HydrophobicContact CG2-CG2 3.84Å; T956-T960 WeakPolarHBondContact O-CB 3.22Å; T956-T960 PolarHBondContact O-N 3.4Å; T956-T960 PolarHBondContact O-OG1 3.03Å; M957-T960 WeakPolarHBondContact O-CB 3.27Å; M957-T960 PolarHBondContact O-N 2.93Å; D958-T960 VanDerWaalsContact C-N 3.3Å; D958-T960 PolarHBondContact O-N 3.26Å; T960-T963 PolarHBondContact O-N 3.07Å; T960-F964 HydrophobicContact CG2-CD2 4Å; T960-F964 HydrophobicContact CG2-CE2 3.63Å; T960-F964 HydrophobicContact CG2-CZ 4.45Å; T960-F964 WeakPolarHBondContact O-CD2 3.37Å; T960-F964 PolarHBondContact O-N 3.43Å |
| 961 | Q | 78.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 177.6 | -74.8 | 177.8 | -39.6 | 0 | 0 | 112.9 | D913 I914 R917 M957 D958 T963 F964 L965 Y1084 | D913-Q961 PolarHBondContact O-NE2 2.93Å; D913-Q961 PolarHBondContact OD2-NE2 3.28Å; I914-Q961 HydrophobicContact CG1-CG 4.43Å; R917-Q961 VanDerWaalsContact CZ-CD 3.4Å; R917-Q961 VanDerWaalsContact NE-NE2 3.17Å; M957-Q961 PolarHBondContact O-N 2.98Å; D958-Q961 PolarHBondContact O-N 3.33Å; Q961-T963 PolarHBondContact O-N 3.37Å; Q961-F964 PolarHBondContact O-N 3.4Å; Q961-F964 VanDerWaalsContact O-N 3.17Å; Q961-L965 WeakPolarHBondContact O-CG 3.42Å; Q961-L965 PolarHBondContact O-N 2.72Å; Q961-Y1084 PolarHBondContact OE1-OH 2.84Å |
| 962 | A | 80.6 | Confident | 74.6 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -53.4 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D958 L965 Q966 L1088 T1091 I1092 | D958-A962 VanDerWaalsContact O-CB 3.25Å; D958-A962 WeakPolarHBondContact O-CB 3.38Å; D958-A962 PolarHBondContact O-N 3.04Å; A962-L965 WeakPolarHBondContact O-CB 3.12Å; A962-L965 PolarHBondContact O-N 3.47Å; A962-Q966 WeakPolarHBondContact O-CG 3.33Å; A962-Q966 PolarHBondContact O-N 3.36Å; A962-L1088 HydrophobicContact CB-CD2 4.15Å; A962-T1091 WeakPolarHBondContact CB-OG1 3.14Å; A962-I1092 HydrophobicContact CB-CD1 4.37Å; A962-I1092 HydrophobicContact CB-CG1 3.84Å |
| 963 | T | 81.1 | Confident | 76.5 | Confident | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.1 | -41.2 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | V524 K528 V959 T960 Q961 L965 Q966 I967 | V524-T963 VanDerWaalsContact CG1-CB 3.46Å; V524-T963 HydrophobicContact CG1-CG2 3.28Å; K528-T963 HydrophobicContact CD-CG2 3.55Å; K528-T963 HydrophobicContact CG-CG2 3.7Å; K528-T963 PolarHBondContact NZ-OG1 2.72Å; V959-T963 WeakPolarHBondContact O-CB 3.34Å; V959-T963 PolarHBondContact O-N 3.42Å; V959-T963 PolarHBondContact O-OG1 3.1Å; T960-T963 PolarHBondContact O-N 3.07Å; Q961-T963 PolarHBondContact O-N 3.37Å; T963-L965 PolarHBondContact O-N 3.01Å; T963-Q966 PolarHBondContact O-N 2.93Å; T963-Q966 VanDerWaalsContact O-N 3.17Å; T963-I967 HydrophobicContact CG2-CD1 3.73Å; T963-I967 HydrophobicContact CG2-CG1 4.17Å; T963-I967 WeakPolarHBondContact O-CG1 3.46Å; T963-I967 PolarHBondContact O-N 2.96Å |
| 964 | F | 86.2 | Confident | 78 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 174.5 | -77.4 | -45.1 | 0 | 0 | 0 | 111.6 | Y507 M523 V524 L527 P866 V867 W905 L910 T960 Q961 I967 I968 | Y507-F964 AromaticContact CD2-CE2 3.55Å; Y507-F964 HydrophobicContact CD2-CE2 3.55Å; Y507-F964 AromaticContact CD2-CZ 3.7Å; Y507-F964 HydrophobicContact CD2-CZ 3.7Å; Y507-F964 AromaticContact CE2-CE2 3.72Å; Y507-F964 HydrophobicContact CE2-CE2 3.72Å; Y507-F964 HydrophobicContact CE2-CZ 4.26Å; M523-F964 HydrophobicContact SD-CE1 4.29Å; M523-F964 HydrophobicContact SD-CZ 4.19Å; V524-F964 HydrophobicContact CG2-CD1 4.4Å; V524-F964 HydrophobicContact CG2-CE1 3.95Å; V524-F964 HydrophobicContact CG2-CE2 4.21Å; V524-F964 HydrophobicContact CG2-CZ 3.85Å; L527-F964 HydrophobicContact CD1-CD1 4.43Å; L527-F964 HydrophobicContact CD1-CE1 3.93Å; P866-F964 HydrophobicContact CG-CD2 4.25Å; P866-F964 HydrophobicContact CG-CE2 4.06Å; V867-F964 HydrophobicContact CG2-CD1 4.17Å; V867-F964 HydrophobicContact CG2-CE1 3.89Å; V867-F964 HydrophobicContact CG2-CZ 4.41Å; W905-F964 HydrophobicContact CH2-CB 4.26Å; W905-F964 AromaticContact CH2-CD1 3.69Å; W905-F964 HydrophobicContact CH2-CD1 3.69Å; W905-F964 HydrophobicContact CH2-CG 4.38Å; W905-F964 HydrophobicContact CZ3-CB 4.02Å; W905-F964 HydrophobicContact CZ3-CD1 4.01Å; W905-F964 HydrophobicContact CZ3-CG 4.33Å; W905-F964 WeakPolarHBondContact CZ3-O 3.09Å; L910-F964 HydrophobicContact CD1-CB 4.38Å; T960-F964 HydrophobicContact CG2-CD2 4Å; T960-F964 HydrophobicContact CG2-CE2 3.63Å; T960-F964 HydrophobicContact CG2-CZ 4.45Å; T960-F964 WeakPolarHBondContact O-CD2 3.37Å; T960-F964 PolarHBondContact O-N 3.43Å; Q961-F964 PolarHBondContact O-N 3.4Å; Q961-F964 VanDerWaalsContact O-N 3.17Å; F964-I967 PolarHBondContact O-N 3.42Å; F964-I968 WeakPolarHBondContact O-CG2 3.49Å; F964-I968 PolarHBondContact O-N 2.99Å |
| 965 | L | 86.7 | Confident | 79 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.2 | -52.2 | 171.3 | -72.8 | 169.6 | 0 | 0 | 0 | 111.4 | I914 Q961 A962 T963 I967 I968 I969 L1073 M1077 | I914-L965 HydrophobicContact CD1-CD1 4.05Å; I914-L965 HydrophobicContact CD1-CD2 3.86Å; I914-L965 HydrophobicContact CD1-CG 4.06Å; Q961-L965 WeakPolarHBondContact O-CG 3.42Å; Q961-L965 PolarHBondContact O-N 2.72Å; A962-L965 WeakPolarHBondContact O-CB 3.12Å; A962-L965 PolarHBondContact O-N 3.47Å; T963-L965 PolarHBondContact O-N 3.01Å; L965-I967 VanDerWaalsContact C-N 3.29Å; L965-I967 PolarHBondContact O-N 3.31Å; L965-I968 WeakPolarHBondContact O-CG2 3.43Å; L965-I968 PolarHBondContact O-N 3.49Å; L965-I969 WeakPolarHBondContact O-CB 3.4Å; L965-I969 WeakPolarHBondContact O-CD1 3.33Å; L965-I969 WeakPolarHBondContact O-CG1 3.5Å; L965-I969 PolarHBondContact O-N 3.11Å; L965-L1073 HydrophobicContact CD2-CD2 4.01Å; L965-M1077 HydrophobicContact CD1-CE 4.35Å; L965-M1077 HydrophobicContact CD1-SD 3.84Å |
| 966 | Q | 84.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 9.9 Ų | 9.9 | 2% | 0.023 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -54.9 | -43 | 177.6 | -67.1 | 175.5 | -50.1 | 0 | 0 | 112.5 | W532 A962 T963 S970 L988 C989 N991 | W532-Q966 HydrophobicContact CH2-CB 3.6Å; W532-Q966 HydrophobicContact CZ2-CB 3.99Å; A962-Q966 WeakPolarHBondContact O-CG 3.33Å; A962-Q966 PolarHBondContact O-N 3.36Å; T963-Q966 PolarHBondContact O-N 2.93Å; T963-Q966 VanDerWaalsContact O-N 3.17Å; Q966-S970 PolarHBondContact O-N 3.46Å; Q966-S970 VanDerWaalsContact O-N 3.13Å; Q966-L988 PolarHBondContact NE2-O 3.02Å; Q966-C989 PolarHBondContact O-SG 3.02Å; Q966-N991 PolarHBondContact NE2-OD1 3.42Å; Q966-N991 VanDerWaalsContact NE2-OD1 3.17Å |
| 967 | I | 86 | Confident | 80.1 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.6 | -52.7 | 179.8 | -65 | 161.5 | 0 | 0 | 0 | 110.6 | L527 K528 Y531 W532 W905 T963 F964 L965 I969 S970 L971 | L527-I967 HydrophobicContact CB-CD1 3.79Å; K528-I967 HydrophobicContact CG-CD1 4.28Å; K528-I967 HydrophobicContact CG-CG1 4.49Å; Y531-I967 HydrophobicContact CD2-CG2 4.1Å; W532-I967 HydrophobicContact CH2-CG1 4.24Å; W532-I967 HydrophobicContact CZ2-CB 4.48Å; W532-I967 HydrophobicContact CZ2-CG1 3.86Å; W905-I967 HydrophobicContact CH2-CB 3.98Å; W905-I967 HydrophobicContact CH2-CG2 3.83Å; W905-I967 HydrophobicContact CZ2-CB 4.3Å; W905-I967 HydrophobicContact CZ2-CG2 3.63Å; T963-I967 HydrophobicContact CG2-CD1 3.73Å; T963-I967 HydrophobicContact CG2-CG1 4.17Å; T963-I967 WeakPolarHBondContact O-CG1 3.46Å; T963-I967 PolarHBondContact O-N 2.96Å; F964-I967 PolarHBondContact O-N 3.42Å; L965-I967 VanDerWaalsContact C-N 3.29Å; L965-I967 PolarHBondContact O-N 3.31Å; I967-I969 VanDerWaalsContact C-N 3.28Å; I967-I969 PolarHBondContact O-N 2.96Å; I967-S970 PolarHBondContact O-N 3.15Å; I967-S970 PolarHBondContact O-OG 2.74Å; I967-L971 HydrophobicContact CG2-CD1 3.86Å; I967-L971 HydrophobicContact CG2-CG 4.4Å; I967-L971 WeakPolarHBondContact O-CG 3.47Å; I967-L971 PolarHBondContact O-N 3.04Å |
| 968 | I | 87.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.3 | -30.4 | -174.8 | -161.1 | 49.7 | 0 | 0 | 0 | 112.1 | F12 W905 I907 L910 F964 L965 L971 I972 L1073 | F12-I968 HydrophobicContact CD2-CD1 4.4Å; F12-I968 HydrophobicContact CE2-CD1 3.69Å; F12-I968 HydrophobicContact CZ-CD1 4.46Å; W905-I968 HydrophobicContact CB-CD1 4.19Å; W905-I968 HydrophobicContact CD2-CD1 3.69Å; W905-I968 HydrophobicContact CD2-CG1 4.25Å; W905-I968 HydrophobicContact CE3-CB 3.86Å; W905-I968 HydrophobicContact CE3-CD1 3.81Å; W905-I968 HydrophobicContact CE3-CG1 3.82Å; W905-I968 HydrophobicContact CG-CD1 3.89Å; W905-I968 HydrophobicContact CH2-CB 4.14Å; W905-I968 HydrophobicContact CZ3-CB 3.66Å; W905-I968 HydrophobicContact CZ3-CD1 4.4Å; W905-I968 HydrophobicContact CZ3-CG1 4.17Å; W905-I968 HydrophobicContact CZ3-CG2 4.37Å; I907-I968 HydrophobicContact CD1-CD1 4.25Å; I907-I968 HydrophobicContact CD1-CG1 3.75Å; L910-I968 HydrophobicContact CD2-CG2 4.23Å; F964-I968 WeakPolarHBondContact O-CG2 3.49Å; F964-I968 PolarHBondContact O-N 2.99Å; L965-I968 WeakPolarHBondContact O-CG2 3.43Å; L965-I968 PolarHBondContact O-N 3.49Å; I968-L971 PolarHBondContact O-N 3.47Å; I968-I972 HydrophobicContact CD1-CD1 3.97Å; I968-I972 HydrophobicContact CD1-CG1 4.25Å; I968-I972 HydrophobicContact CG1-CD1 3.73Å; I968-I972 HydrophobicContact CG1-CG1 4.41Å; I968-I972 VanDerWaalsContact O-CB 3.31Å; I968-I972 WeakPolarHBondContact O-CB 3.39Å; I968-I972 VanDerWaalsContact O-CG1 3.22Å; I968-I972 WeakPolarHBondContact O-CG1 3.18Å; I968-I972 PolarHBondContact O-N 3.25Å; I968-L1073 HydrophobicContact CG2-CD1 3.71Å |
| 969 | I | 86.9 | Confident | 81.1 | Confident | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -48 | 168.5 | -61.5 | 157.7 | 0 | 0 | 0 | 110.2 | L965 I967 L971 I972 H973 I985 W1127 | L965-I969 WeakPolarHBondContact O-CB 3.4Å; L965-I969 WeakPolarHBondContact O-CD1 3.33Å; L965-I969 WeakPolarHBondContact O-CG1 3.5Å; L965-I969 PolarHBondContact O-N 3.11Å; I967-I969 VanDerWaalsContact C-N 3.28Å; I967-I969 PolarHBondContact O-N 2.96Å; I969-L971 PolarHBondContact O-N 3.45Å; I969-I972 PolarHBondContact O-N 3.47Å; I969-I972 VanDerWaalsContact O-N 3.13Å; I969-H973 WeakPolarHBondContact O-CB 3.4Å; I969-H973 PolarHBondContact O-N 3.2Å; I969-I985 HydrophobicContact CG2-CD1 3.98Å; I969-I985 HydrophobicContact CG2-CG2 3.76Å; I969-W1127 HydrophobicContact CD1-CH2 3.33Å; I969-W1127 HydrophobicContact CD1-CZ2 3.43Å; I969-W1127 VanDerWaalsContact CD1-CZ2 3.43Å; I969-W1127 HydrophobicContact CD1-CZ3 4.33Å; I969-W1127 HydrophobicContact CG1-CH2 3.62Å; I969-W1127 HydrophobicContact CG1-CZ2 4.25Å; I969-W1127 HydrophobicContact CG1-CZ3 4.34Å |
| 970 | S | 83.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -30.4 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | W532 Q966 I967 W975 H1014 | W532-S970 PolarHBondContact NE1-OG 2.94Å; Q966-S970 PolarHBondContact O-N 3.46Å; Q966-S970 VanDerWaalsContact O-N 3.13Å; I967-S970 PolarHBondContact O-N 3.15Å; I967-S970 PolarHBondContact O-OG 2.74Å; S970-W975 PolarHBondContact O-NE1 3.47Å; S970-H1014 PolarHBondContact O-NE2 3.27Å |
| 971 | L | 85.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -84.1 | -22.8 | 177.2 | -65 | 174.2 | 0 | 0 | 0 | 114.2 | F12 Y531 I967 I968 I969 I1018 | F12-L971 HydrophobicContact CD1-CB 4.34Å; F12-L971 HydrophobicContact CD1-CD1 4.21Å; F12-L971 HydrophobicContact CD1-CD2 4.34Å; F12-L971 HydrophobicContact CD2-CD1 4.04Å; F12-L971 HydrophobicContact CE1-CB 3.77Å; F12-L971 HydrophobicContact CE1-CD1 4.42Å; F12-L971 HydrophobicContact CE1-CD2 4.46Å; F12-L971 HydrophobicContact CE1-CG 4.45Å; F12-L971 HydrophobicContact CE2-CB 4.18Å; F12-L971 HydrophobicContact CE2-CD1 4.24Å; F12-L971 HydrophobicContact CG-CD1 4.01Å; F12-L971 HydrophobicContact CZ-CB 3.67Å; F12-L971 HydrophobicContact CZ-CD1 4.43Å; Y531-L971 HydrophobicContact CD1-CD2 3.79Å; Y531-L971 HydrophobicContact CD2-CD1 4.38Å; Y531-L971 HydrophobicContact CE1-CD2 3.88Å; Y531-L971 HydrophobicContact CE2-CD1 4.1Å; Y531-L971 HydrophobicContact CG-CD2 4.17Å; I967-L971 HydrophobicContact CG2-CD1 3.86Å; I967-L971 HydrophobicContact CG2-CG 4.4Å; I967-L971 WeakPolarHBondContact O-CG 3.47Å; I967-L971 PolarHBondContact O-N 3.04Å; I968-L971 PolarHBondContact O-N 3.47Å; I969-L971 PolarHBondContact O-N 3.45Å; L971-I1018 HydrophobicContact CD2-CD1 4.28Å; L971-I1018 HydrophobicContact CD2-CG1 4.34Å; L971-I1018 HydrophobicContact CD2-CG2 4.08Å |
| 972 | I | 87.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -97.1 | -29.2 | 179.2 | -69 | 172.9 | 0 | 0 | 0 | 112 | I10 I968 I969 P974 Y1056 L1066 L1073 | I10-I972 HydrophobicContact CD1-CD1 4.49Å; I968-I972 HydrophobicContact CD1-CD1 3.97Å; I968-I972 HydrophobicContact CD1-CG1 4.25Å; I968-I972 HydrophobicContact CG1-CD1 3.73Å; I968-I972 HydrophobicContact CG1-CG1 4.41Å; I968-I972 VanDerWaalsContact O-CB 3.31Å; I968-I972 WeakPolarHBondContact O-CB 3.39Å; I968-I972 VanDerWaalsContact O-CG1 3.22Å; I968-I972 WeakPolarHBondContact O-CG1 3.18Å; I968-I972 PolarHBondContact O-N 3.25Å; I969-I972 PolarHBondContact O-N 3.47Å; I969-I972 VanDerWaalsContact O-N 3.13Å; I972-P974 WeakPolarHBondContact O-CD 3.36Å; I972-Y1056 WeakPolarHBondContact O-CE2 3.45Å; I972-Y1056 VanDerWaalsContact O-CZ 3.27Å; I972-Y1056 PolarHBondContact O-OH 2.79Å; I972-L1066 HydrophobicContact CG1-CD2 3.89Å; I972-L1066 WeakPolarHBondContact CG2-O 3.41Å; I972-L1073 HydrophobicContact CD1-CD1 4.39Å |
| 973 | H | 86 | Confident | 81.7 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -64.5 | 127.9 | -176.7 | 178.2 | 61.7 | 0 | 0 | 0 | 111.6 | I969 W975 D982 I985 F1130 F1133 | I969-H973 WeakPolarHBondContact O-CB 3.4Å; I969-H973 PolarHBondContact O-N 3.2Å; H973-W975 VanDerWaalsContact C-N 3.33Å; H973-W975 AromaticContact CD2-CD2 3.61Å; H973-W975 AromaticContact CD2-CE2 3.79Å; H973-W975 AromaticContact CD2-CE3 3.88Å; H973-W975 AromaticContact CD2-CG 3.9Å; H973-W975 PolarHBondContact O-N 3.13Å; H973-D982 IonicContact CD2-OD1 3.42Å; H973-D982 IonicContact CE1-OD1 2.67Å; H973-D982 IonicContact NE2-OD1 3.44Å; H973-D982 PolarHBondContact NE2-OD1 3.05Å; H973-I985 HydrophobicContact CB-CG1 4.42Å; H973-I985 HydrophobicContact CB-CG2 4.08Å; H973-F1130 HydrophobicContact CB-CE2 4.13Å; H973-F1130 AromaticContact ND1-CD2 3.95Å; H973-F1130 AromaticContact ND1-CE2 3.53Å; H973-F1133 AromaticContact CE1-CE1 3.61Å; H973-F1133 AromaticContact ND1-CE1 3.94Å |
| 974 | P | 80.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -80.5 | 77.9 | -178.6 | 33.7 | -38.1 | 0 | 0 | 0 | 112.4 | I972 I977 H1054 Y1056 F1133 L1134 F1138 | I972-P974 WeakPolarHBondContact O-CD 3.36Å; P974-I977 HydrophobicContact CB-CD1 3.94Å; P974-H1054 VanDerWaalsContact CA-CE1 3.44Å; P974-H1054 WeakPolarHBondContact CA-CE1 3.37Å; P974-H1054 VanDerWaalsContact CA-NE2 3.25Å; P974-H1054 WeakPolarHBondContact CA-NE2 3.36Å; P974-H1054 VanDerWaalsContact CB-CE1 3.43Å; P974-H1054 WeakPolarHBondContact CB-CE1 3.33Å; P974-Y1056 HydrophobicContact CB-CD2 4.22Å; P974-Y1056 HydrophobicContact CB-CE2 3.93Å; P974-F1133 HydrophobicContact CG-CE1 3.56Å; P974-F1133 HydrophobicContact CG-CZ 3.84Å; P974-L1134 HydrophobicContact CG-CD2 4.17Å; P974-F1138 HydrophobicContact CB-CD2 4.36Å; P974-F1138 HydrophobicContact CB-CE2 4.04Å; P974-F1138 HydrophobicContact CB-CZ 4.12Å; P974-F1138 HydrophobicContact CG-CD1 4.39Å; P974-F1138 HydrophobicContact CG-CD2 4.25Å; P974-F1138 HydrophobicContact CG-CE2 4.39Å; P974-F1138 HydrophobicContact CG-CG 4.26Å | ||
| 975 | W | 78 | Confident | 81.5 | Confident | 34 Ų | 34 | 22.4 Ų | 22.4 | 13% | 0.129 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 143.2 | -178.3 | -64 | 95.5 | 0 | 0 | 0 | 114.3 | S970 H973 I977 D982 I985 Q986 T1013 H1054 | S970-W975 PolarHBondContact O-NE1 3.47Å; H973-W975 VanDerWaalsContact C-N 3.33Å; H973-W975 AromaticContact CD2-CD2 3.61Å; H973-W975 AromaticContact CD2-CE2 3.79Å; H973-W975 AromaticContact CD2-CE3 3.88Å; H973-W975 AromaticContact CD2-CG 3.9Å; H973-W975 PolarHBondContact O-N 3.13Å; W975-I977 VanDerWaalsContact C-N 3.32Å; W975-I977 PolarHBondContact O-N 3.05Å; W975-D982 WeakPolarHBondContact CA-OD1 3.24Å; W975-D982 HydrophobicContact CE3-CB 3.9Å; W975-D982 HydrophobicContact CZ3-CB 3.96Å; W975-I985 HydrophobicContact CH2-CB 4.31Å; W975-I985 HydrophobicContact CH2-CG2 3.96Å; W975-I985 HydrophobicContact CZ2-CG2 3.94Å; W975-Q986 HydrophobicContact CH2-CB 4.25Å; W975-Q986 HydrophobicContact CZ3-CB 4.4Å; W975-T1013 HydrophobicContact CB-CG2 3.92Å; W975-T1013 HydrophobicContact CD2-CG2 4.37Å; W975-T1013 HydrophobicContact CG-CG2 4.12Å; W975-H1054 PolarHBondContact N-NE2 3.37Å |
| 976 | G | 70 | Confident | 81 | Confident | 30 Ų | 30 | 24.7 Ų | 24.7 | 31% | 0.309 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 11.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D982 R1156 | G976-D982 WeakPolarHBondContact CA-OD2 3.42Å; G976-D982 PolarHBondContact N-OD1 2.96Å; G976-D982 PolarHBondContact N-OD2 3.08Å; G976-R1156 PolarHBondContact O-NH1 2.89Å |
| 977 | I | 72.8 | Confident | 80.5 | Confident | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.205 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -95.9 | -53.8 | 171.8 | -59.1 | -173.4 | 0 | 0 | 0 | 110.3 | P974 W975 F1138 L1141 | P974-I977 HydrophobicContact CB-CD1 3.94Å; W975-I977 VanDerWaalsContact C-N 3.32Å; W975-I977 PolarHBondContact O-N 3.05Å; I977-F1138 HydrophobicContact CD1-CD2 3.57Å; I977-F1138 HydrophobicContact CD1-CE2 3.38Å; I977-L1141 HydrophobicContact CG2-CD1 3.55Å |
| 978 | D | 77.1 | Confident | 79.9 | Confident | 41 Ų | 41 | 30.3 Ų | 30.3 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | trans | -123.8 | 108.5 | 175.2 | -179.5 | -15 | 0 | 0 | 0 | 109.9 | S980 M981 D982 F1133 | D978-S980 PolarHBondContact O-N 3.04Å; D978-S980 WeakPolarHBondContact OD1-CA 3.46Å; D978-S980 VanDerWaalsContact OD1-CB 3.32Å; D978-S980 WeakPolarHBondContact OD1-CB 3.41Å; D978-S980 PolarHBondContact OD1-N 3.44Å; D978-S980 PolarHBondContact OD1-OG 3.02Å; D978-S980 PolarHBondContact OD2-OG 3.17Å; D978-M981 HydrophobicContact CB-CB 4.15Å; D978-M981 HydrophobicContact CB-CG 4.33Å; D978-M981 PolarHBondContact O-N 3.39Å; D978-M981 PolarHBondContact OD1-N 3.18Å; D978-D982 VanDerWaalsContact O-CG 3.32Å; D978-D982 PolarHBondContact O-N 3.29Å; D978-F1133 HydrophobicContact CB-CD2 4.08Å; D978-F1133 HydrophobicContact CB-CE2 3.46Å; D978-F1133 VanDerWaalsContact CB-CE2 3.46Å; D978-F1133 HydrophobicContact CB-CZ 4.13Å | ||
| 979 | L | 75.5 | Confident | 79 | Confident | 106 Ų | 106 | 30.4 Ų | 30.4 | 56% | 0.555 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -64.9 | -24.8 | -178 | -60 | 178.1 | 0 | 0 | 0 | 113.2 | E983 L1011 | L979-E983 PolarHBondContact O-N 3.29Å; L979-E983 VanDerWaalsContact O-N 3.1Å; L979-L1011 HydrophobicContact CD2-CD1 3.71Å |
| 980 | S | 80 | Confident | 77.9 | Confident | 69 Ų | 69 | 31.8 Ų | 31.8 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -75 | -38.1 | 177 | 76.1 | 0 | 0 | 0 | 0 | 111.3 | D978 I984 | D978-S980 PolarHBondContact O-N 3.04Å; D978-S980 WeakPolarHBondContact OD1-CA 3.46Å; D978-S980 VanDerWaalsContact OD1-CB 3.32Å; D978-S980 WeakPolarHBondContact OD1-CB 3.41Å; D978-S980 PolarHBondContact OD1-N 3.44Å; D978-S980 PolarHBondContact OD1-OG 3.02Å; D978-S980 PolarHBondContact OD2-OG 3.17Å; S980-I984 WeakPolarHBondContact O-CD1 3.28Å; S980-I984 WeakPolarHBondContact O-CG1 3.28Å; S980-I984 PolarHBondContact O-N 2.93Å |
| 981 | M | 83 | Confident | 76.3 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.2 | -39.4 | 172.4 | -72.2 | -58.5 | -47.6 | 0 | 0 | 111.9 | D978 E983 I984 I985 Q1129 F1130 F1133 | D978-M981 HydrophobicContact CB-CB 4.15Å; D978-M981 HydrophobicContact CB-CG 4.33Å; D978-M981 PolarHBondContact O-N 3.39Å; D978-M981 PolarHBondContact OD1-N 3.18Å; M981-E983 VanDerWaalsContact C-N 3.3Å; M981-E983 PolarHBondContact O-N 2.68Å; M981-I984 PolarHBondContact O-N 3.05Å; M981-I984 VanDerWaalsContact O-N 3.08Å; M981-I984 HydrophobicContact SD-CD1 4.05Å; M981-I985 WeakPolarHBondContact O-CG1 3.35Å; M981-I985 PolarHBondContact O-N 3.31Å; M981-Q1129 HydrophobicContact CE-CB 4.5Å; M981-Q1129 HydrophobicContact SD-CB 4.22Å; M981-F1130 HydrophobicContact CE-CB 3.98Å; M981-F1130 HydrophobicContact CE-CD2 4.32Å; M981-F1133 HydrophobicContact CB-CD1 4.41Å; M981-F1133 HydrophobicContact CB-CD2 4.49Å; M981-F1133 HydrophobicContact CB-CG 4.4Å; M981-F1133 HydrophobicContact CE-CB 4.42Å; M981-F1133 HydrophobicContact CG-CB 3.99Å; M981-F1133 HydrophobicContact CG-CD1 4.2Å; M981-F1133 HydrophobicContact CG-CD2 3.9Å; M981-F1133 HydrophobicContact CG-CE2 4.46Å; M981-F1133 HydrophobicContact CG-CG 3.76Å; M981-F1133 HydrophobicContact SD-CB 4.27Å |
| 982 | D | 80.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.8 | -47.1 | 171.2 | -71 | -6.2 | 0 | 0 | 0 | 111 | H973 W975 G976 D978 I984 I985 Q986 | H973-D982 IonicContact CD2-OD1 3.42Å; H973-D982 IonicContact CE1-OD1 2.67Å; H973-D982 IonicContact NE2-OD1 3.44Å; H973-D982 PolarHBondContact NE2-OD1 3.05Å; W975-D982 WeakPolarHBondContact CA-OD1 3.24Å; W975-D982 HydrophobicContact CE3-CB 3.9Å; W975-D982 HydrophobicContact CZ3-CB 3.96Å; G976-D982 WeakPolarHBondContact CA-OD2 3.42Å; G976-D982 PolarHBondContact N-OD1 2.96Å; G976-D982 PolarHBondContact N-OD2 3.08Å; D978-D982 VanDerWaalsContact O-CG 3.32Å; D978-D982 PolarHBondContact O-N 3.29Å; D982-I984 VanDerWaalsContact C-N 3.33Å; D982-I984 PolarHBondContact O-N 3.43Å; D982-I985 PolarHBondContact O-N 3.38Å; D982-Q986 VanDerWaalsContact O-CB 3.25Å; D982-Q986 WeakPolarHBondContact O-CB 3.16Å; D982-Q986 PolarHBondContact O-N 3Å |
| 983 | E | 77.4 | Confident | 71.9 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -38.6 | 175.5 | -100.3 | -158.6 | -134.8 | 0 | 0 | 113.3 | L979 M981 K987 | L979-E983 PolarHBondContact O-N 3.29Å; L979-E983 VanDerWaalsContact O-N 3.1Å; M981-E983 VanDerWaalsContact C-N 3.3Å; M981-E983 PolarHBondContact O-N 2.68Å; E983-K987 WeakPolarHBondContact O-CD 3.26Å; E983-K987 VanDerWaalsContact O-CE 3.29Å; E983-K987 WeakPolarHBondContact O-CE 3.37Å; E983-K987 WeakPolarHBondContact O-CG 3.47Å; E983-K987 PolarHBondContact O-N 2.74Å; E983-K987 IonicContact OE2-NZ 2.74Å; E983-K987 PolarHBondContact OE2-NZ 2.96Å |
| 984 | I | 82.2 | Confident | 69.4 | Low | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.6 | -45.3 | -179.7 | -70.9 | 165.1 | 0 | 0 | 0 | 110.6 | S980 M981 D982 K987 L988 I1126 | S980-I984 WeakPolarHBondContact O-CD1 3.28Å; S980-I984 WeakPolarHBondContact O-CG1 3.28Å; S980-I984 PolarHBondContact O-N 2.93Å; M981-I984 PolarHBondContact O-N 3.05Å; M981-I984 VanDerWaalsContact O-N 3.08Å; M981-I984 HydrophobicContact SD-CD1 4.05Å; D982-I984 VanDerWaalsContact C-N 3.33Å; D982-I984 PolarHBondContact O-N 3.43Å; I984-K987 PolarHBondContact O-N 2.97Å; I984-L988 PolarHBondContact O-N 2.79Å; I984-I1126 HydrophobicContact CG2-CB 4.33Å; I984-I1126 HydrophobicContact CG2-CG1 4.08Å; I984-I1126 HydrophobicContact CG2-CG2 3.54Å |
| 985 | I | 80.7 | Confident | 67.2 | Low | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 177.6 | -62.2 | -53.5 | 0 | 0 | 0 | 111 | I969 H973 W975 M981 D982 K987 L988 C989 F1130 | I969-I985 HydrophobicContact CG2-CD1 3.98Å; I969-I985 HydrophobicContact CG2-CG2 3.76Å; H973-I985 HydrophobicContact CB-CG1 4.42Å; H973-I985 HydrophobicContact CB-CG2 4.08Å; W975-I985 HydrophobicContact CH2-CB 4.31Å; W975-I985 HydrophobicContact CH2-CG2 3.96Å; W975-I985 HydrophobicContact CZ2-CG2 3.94Å; M981-I985 WeakPolarHBondContact O-CG1 3.35Å; M981-I985 PolarHBondContact O-N 3.31Å; D982-I985 PolarHBondContact O-N 3.38Å; I985-K987 VanDerWaalsContact C-N 3.27Å; I985-K987 PolarHBondContact O-N 3.31Å; I985-L988 HydrophobicContact CD1-CD1 4.21Å; I985-L988 WeakPolarHBondContact O-CB 3.39Å; I985-L988 PolarHBondContact O-N 2.98Å; I985-C989 PolarHBondContact O-N 3.18Å; I985-C989 PolarHBondContact O-SG 3.19Å; I985-F1130 HydrophobicContact CD1-CB 4.43Å; I985-F1130 HydrophobicContact CD1-CD2 3.85Å; I985-F1130 HydrophobicContact CD1-CE2 4.37Å; I985-F1130 HydrophobicContact CD1-CG 4.22Å; I985-F1130 HydrophobicContact CG1-CD2 4.33Å |
| 986 | Q | 76.1 | Confident | 65.4 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 175 | -166.9 | 179 | 13.4 | 0 | 0 | 111.9 | W975 D982 L988 C989 H990 | W975-Q986 HydrophobicContact CH2-CB 4.25Å; W975-Q986 HydrophobicContact CZ3-CB 4.4Å; D982-Q986 VanDerWaalsContact O-CB 3.25Å; D982-Q986 WeakPolarHBondContact O-CB 3.16Å; D982-Q986 PolarHBondContact O-N 3Å; Q986-L988 VanDerWaalsContact C-N 3.32Å; Q986-L988 PolarHBondContact O-N 3.49Å; Q986-C989 PolarHBondContact O-N 3.04Å; Q986-H990 WeakPolarHBondContact O-CB 3.45Å; Q986-H990 PolarHBondContact O-N 3.24Å; Q986-H990 PolarHBondContact O-ND1 3.3Å |
| 987 | K | 73.3 | Confident | 64.2 | Low | 117 Ų | 117 | 67.4 Ų | 67.4 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.1 | -23 | 175.2 | -68.7 | 158.6 | -163.2 | 156 | 0 | 113.8 | E983 I984 I985 | E983-K987 WeakPolarHBondContact O-CD 3.26Å; E983-K987 VanDerWaalsContact O-CE 3.29Å; E983-K987 WeakPolarHBondContact O-CE 3.37Å; E983-K987 WeakPolarHBondContact O-CG 3.47Å; E983-K987 PolarHBondContact O-N 2.74Å; E983-K987 IonicContact OE2-NZ 2.74Å; E983-K987 PolarHBondContact OE2-NZ 2.96Å; I984-K987 PolarHBondContact O-N 2.97Å; I985-K987 VanDerWaalsContact C-N 3.27Å; I985-K987 PolarHBondContact O-N 3.31Å |
| 988 | L | 72.8 | Confident | 62.8 | Low | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -79.3 | -38.9 | 170.1 | -73.2 | -176.9 | 0 | 0 | 0 | 112.6 | Q966 I984 I985 Q986 F1093 I1126 | Q966-L988 PolarHBondContact NE2-O 3.02Å; I984-L988 PolarHBondContact O-N 2.79Å; I985-L988 HydrophobicContact CD1-CD1 4.21Å; I985-L988 WeakPolarHBondContact O-CB 3.39Å; I985-L988 PolarHBondContact O-N 2.98Å; Q986-L988 VanDerWaalsContact C-N 3.32Å; Q986-L988 PolarHBondContact O-N 3.49Å; L988-F1093 HydrophobicContact CD2-CZ 4.29Å; L988-I1126 HydrophobicContact CD1-CG2 3.66Å; L988-I1126 HydrophobicContact CD2-CG2 4.27Å; L988-I1126 HydrophobicContact CG-CG2 4.09Å |
| 989 | C | 69.9 | Low | 61.4 | Low | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -82.2 | -28.6 | -174.6 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | W532 Q966 I985 Q986 | W532-C989 HydrophobicContact CH2-CB 4.35Å; W532-C989 WeakPolarHBondContact CH2-O 3.18Å; W532-C989 HydrophobicContact CZ2-CB 4.09Å; W532-C989 VanDerWaalsContact CZ3-O 3.24Å; W532-C989 WeakPolarHBondContact CZ3-O 3.39Å; Q966-C989 PolarHBondContact O-SG 3.02Å; I985-C989 PolarHBondContact O-N 3.18Å; I985-C989 PolarHBondContact O-SG 3.19Å; Q986-C989 PolarHBondContact O-N 3.04Å |
| 990 | H | 63.6 | Low | 59.7 | Low | 34 Ų | 34 | 74 Ų | 74 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | trans | -103.5 | 114.2 | -177.3 | -68 | 70.8 | 0 | 0 | 0 | 112.5 | Q986 H992 | Q986-H990 WeakPolarHBondContact O-CB 3.45Å; Q986-H990 PolarHBondContact O-N 3.24Å; Q986-H990 PolarHBondContact O-ND1 3.3Å; H990-H992 PolarHBondContact O-N 2.9Å | ||
| 991 | N | 49.7 | Very low | 58.1 | Low | 81 Ų | 81 | 77 Ų | 77 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | trans | -69.7 | 64.2 | 167.8 | -71.2 | 59.2 | 0 | 0 | 0 | 111.5 | Q966 Q993 I1092 | Q966-N991 PolarHBondContact NE2-OD1 3.42Å; Q966-N991 VanDerWaalsContact NE2-OD1 3.17Å; N991-Q993 PolarHBondContact O-N 2.87Å; N991-Q993 VanDerWaalsContact O-N 3.16Å; N991-I1092 VanDerWaalsContact CG-O 3.27Å; N991-I1092 PolarHBondContact ND2-O 3.26Å; N991-I1092 PolarHBondContact OD1-O 3.37Å | ||
| 992 | H | 41.9 | Very low | 56.3 | Low | 114 Ų | 114 | 80.5 Ų | 80.5 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | trans | -75.5 | 104.9 | 175.5 | -91.3 | -58 | 0 | 0 | 0 | 111.1 | H990 I995 | H990-H992 PolarHBondContact O-N 2.9Å; H992-I995 WeakPolarHBondContact ND1-CD1 3.46Å | ||
| 993 | Q | 39.6 | Very low | 54.5 | Low | 132 Ų | 132 | 85.1 Ų | 85.1 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | trans | -45.5 | 155.5 | 152.2 | -70.6 | 178.2 | -29.8 | 0 | 0 | 110.5 | N991 I995 | N991-Q993 PolarHBondContact O-N 2.87Å; N991-Q993 VanDerWaalsContact O-N 3.16Å; Q993-I995 PolarHBondContact O-N 3.12Å | ||
| 994 | T | 32.5 | Very low | 52.8 | Low | 137 Ų | 137 | 84.5 Ų | 84.5 | 84% | 0.84 | 42% | 0.42 | S | S | * | . | trans | -57.9 | 84.8 | -169.3 | 48.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 995 | I | 35.6 | Very low | 50.8 | Low | 71 Ų | 71 | 88 Ų | 88 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | trans | -73.1 | 127.1 | 162.6 | -65 | 178.4 | 0 | 0 | 0 | 107.5 | H992 Q993 K999 L1000 | H992-I995 WeakPolarHBondContact ND1-CD1 3.46Å; Q993-I995 PolarHBondContact O-N 3.12Å; I995-K999 HydrophobicContact CG2-CB 4.11Å; I995-L1000 HydrophobicContact CG2-CB 4.41Å | ||
| 996 | D | 39.5 | Very low | 48.8 | Very low | 111 Ų | 111 | 94.9 Ų | 94.9 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | trans | -58 | 139.8 | -176.6 | -152.3 | -18.4 | 0 | 0 | 0 | 112 | D998 K999 L1000 | D996-D998 PolarHBondContact O-N 3.02Å; D996-D998 VanDerWaalsContact O-N 3.17Å; D996-K999 HydrophobicContact CB-CB 4.39Å; D996-K999 WeakPolarHBondContact O-CB 3.48Å; D996-K999 PolarHBondContact O-N 3.09Å; D996-L1000 PolarHBondContact O-N 2.74Å | ||
| 997 | K | 44.1 | Very low | 47 | Very low | 174 Ų | 174 | 93.9 Ų | 93.9 | 76% | 0.757 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.2 | -35.1 | -168.9 | -79.6 | -176.4 | 176.1 | 177.1 | 0 | 112.4 | L1000 K1001 | K997-L1000 PolarHBondContact O-N 3.33Å; K997-K1001 PolarHBondContact O-N 3.06Å; K997-K1001 VanDerWaalsContact O-N 3.09Å |
| 998 | D | 44.8 | Very low | 45.4 | Very low | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78.3 | -31.4 | 179 | -65.9 | -39.7 | 0 | 0 | 0 | 112.3 | D996 L1000 K1001 T1002 | D996-D998 PolarHBondContact O-N 3.02Å; D996-D998 VanDerWaalsContact O-N 3.17Å; D998-L1000 VanDerWaalsContact C-N 3.32Å; D998-L1000 PolarHBondContact O-N 2.78Å; D998-K1001 PolarHBondContact O-N 3.23Å; D998-T1002 PolarHBondContact O-N 3.22Å; D998-T1002 PolarHBondContact O-OG1 2.97Å |
| 999 | K | 47.4 | Very low | 43.6 | Very low | 141 Ų | 141 | 104.6 Ų | 104.6 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 167.5 | -82.8 | -172 | 175.3 | -179.4 | 0 | 111.1 | I995 D996 K1001 T1002 L1003 | I995-K999 HydrophobicContact CG2-CB 4.11Å; D996-K999 HydrophobicContact CB-CB 4.39Å; D996-K999 WeakPolarHBondContact O-CB 3.48Å; D996-K999 PolarHBondContact O-N 3.09Å; K999-K1001 VanDerWaalsContact C-N 3.35Å; K999-K1001 PolarHBondContact O-N 3.38Å; K999-T1002 WeakPolarHBondContact CA-OG1 3.44Å; K999-T1002 PolarHBondContact O-N 3.4Å; K999-T1002 PolarHBondContact O-OG1 3.14Å; K999-L1003 WeakPolarHBondContact O-CB 3.28Å; K999-L1003 WeakPolarHBondContact O-CG 3.35Å; K999-L1003 PolarHBondContact O-N 2.9Å |
| 1000 | L | 40 | Very low | 42.1 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 43% | 0.429 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 177.9 | -139.8 | 166.7 | 0 | 0 | 0 | 111.7 | I995 D996 K997 D998 L1003 L1004 | I995-L1000 HydrophobicContact CG2-CB 4.41Å; D996-L1000 PolarHBondContact O-N 2.74Å; K997-L1000 PolarHBondContact O-N 3.33Å; D998-L1000 VanDerWaalsContact C-N 3.32Å; D998-L1000 PolarHBondContact O-N 2.78Å; L1000-L1003 PolarHBondContact O-N 2.9Å; L1000-L1004 HydrophobicContact CD2-CD1 3.59Å; L1000-L1004 HydrophobicContact CD2-CG 3.95Å; L1000-L1004 WeakPolarHBondContact O-CB 3.48Å; L1000-L1004 WeakPolarHBondContact O-CG 3.48Å; L1000-L1004 PolarHBondContact O-N 2.84Å |
| 1001 | K | 45.1 | Very low | 40.9 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63 | -45.9 | 169.4 | -80.3 | 178.2 | 176.7 | 169.9 | 0 | 113.5 | K997 D998 K999 L1003 L1004 N1005 | K997-K1001 PolarHBondContact O-N 3.06Å; K997-K1001 VanDerWaalsContact O-N 3.09Å; D998-K1001 PolarHBondContact O-N 3.23Å; K999-K1001 VanDerWaalsContact C-N 3.35Å; K999-K1001 PolarHBondContact O-N 3.38Å; K1001-L1003 VanDerWaalsContact C-N 3.29Å; K1001-L1003 PolarHBondContact O-N 3.24Å; K1001-L1004 PolarHBondContact O-N 2.89Å; K1001-N1005 WeakPolarHBondContact O-CB 3.45Å; K1001-N1005 PolarHBondContact O-N 3.22Å |
| 1002 | T | 45.4 | Very low | 40.5 | Very low | 83 Ų | 83 | 115 Ų | 115 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -33.6 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | D998 K999 N1006 | D998-T1002 PolarHBondContact O-N 3.22Å; D998-T1002 PolarHBondContact O-OG1 2.97Å; K999-T1002 WeakPolarHBondContact CA-OG1 3.44Å; K999-T1002 PolarHBondContact O-N 3.4Å; K999-T1002 PolarHBondContact O-OG1 3.14Å; T1002-N1006 PolarHBondContact O-N 3.27Å |
| 1003 | L | 41.8 | Very low | 40.8 | Very low | 98 Ų | 98 | 112.7 Ų | 112.7 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -60.9 | 169.6 | -75.6 | 167.2 | 0 | 0 | 0 | 109.7 | K999 L1000 K1001 N1005 N1006 S1007 | K999-L1003 WeakPolarHBondContact O-CB 3.28Å; K999-L1003 WeakPolarHBondContact O-CG 3.35Å; K999-L1003 PolarHBondContact O-N 2.9Å; L1000-L1003 PolarHBondContact O-N 2.9Å; K1001-L1003 VanDerWaalsContact C-N 3.29Å; K1001-L1003 PolarHBondContact O-N 3.24Å; L1003-N1005 VanDerWaalsContact C-N 3.25Å; L1003-N1005 PolarHBondContact O-N 3.49Å; L1003-N1005 VanDerWaalsContact O-N 3.1Å; L1003-N1006 CarbonylContact O-C 3.55Å; L1003-N1006 PolarHBondContact O-N 2.92Å; L1003-S1007 WeakPolarHBondContact O-CA 3.44Å; L1003-S1007 WeakPolarHBondContact O-CB 3.37Å; L1003-S1007 PolarHBondContact O-N 2.78Å; L1003-S1007 PolarHBondContact O-OG 3.29Å |
| 1004 | L | 42.2 | Very low | 41.3 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -50.7 | -39.4 | -178.6 | -81.7 | 166 | 0 | 0 | 0 | 114.3 | L1000 K1001 S1007 R1008 | L1000-L1004 HydrophobicContact CD2-CD1 3.59Å; L1000-L1004 HydrophobicContact CD2-CG 3.95Å; L1000-L1004 WeakPolarHBondContact O-CB 3.48Å; L1000-L1004 WeakPolarHBondContact O-CG 3.48Å; L1000-L1004 PolarHBondContact O-N 2.84Å; K1001-L1004 PolarHBondContact O-N 2.89Å; L1004-S1007 WeakPolarHBondContact CA-OG 3.22Å; L1004-S1007 PolarHBondContact O-N 3.5Å; L1004-R1008 WeakPolarHBondContact O-CG 3.29Å; L1004-R1008 PolarHBondContact O-N 3.1Å |
| 1005 | N | 41.4 | Very low | 42.1 | Very low | 109 Ų | 109 | 108 Ų | 108 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.6 | -38.5 | 178.3 | -76.6 | -19 | 0 | 0 | 0 | 113 | K1001 L1003 | K1001-N1005 WeakPolarHBondContact O-CB 3.45Å; K1001-N1005 PolarHBondContact O-N 3.22Å; L1003-N1005 VanDerWaalsContact C-N 3.25Å; L1003-N1005 PolarHBondContact O-N 3.49Å; L1003-N1005 VanDerWaalsContact O-N 3.1Å |
| 1006 | N | 38.6 | Very low | 43.1 | Very low | 148 Ų | 148 | 106.7 Ų | 106.7 | 79% | 0.791 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -84.9 | -16.7 | 174.9 | -68.4 | -10.4 | 0 | 0 | 0 | 112.7 | T1002 L1003 | T1002-N1006 PolarHBondContact O-N 3.27Å; L1003-N1006 CarbonylContact O-C 3.55Å; L1003-N1006 PolarHBondContact O-N 2.92Å |
| 1007 | S | 37.7 | Very low | 44.2 | Very low | 28 Ų | 28 | 102.8 Ų | 102.8 | 20% | 0.196 | 50% | 0.498 | C | S | . | . | trans | -108.4 | 20.8 | -173.8 | 86 | 0 | 0 | 0 | 0 | 113.2 | L1003 L1004 Q1009 Q1010 | L1003-S1007 WeakPolarHBondContact O-CA 3.44Å; L1003-S1007 WeakPolarHBondContact O-CB 3.37Å; L1003-S1007 PolarHBondContact O-N 2.78Å; L1003-S1007 PolarHBondContact O-OG 3.29Å; L1004-S1007 WeakPolarHBondContact CA-OG 3.22Å; L1004-S1007 PolarHBondContact O-N 3.5Å; S1007-Q1009 PolarHBondContact O-N 2.67Å; S1007-Q1010 CarbonylContact O-C 3.52Å; S1007-Q1010 PolarHBondContact O-N 3.42Å | ||
| 1008 | R | 38.9 | Very low | 45.7 | Very low | 204 Ų | 204 | 95.7 Ų | 95.7 | 77% | 0.77 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.7 | 164 | -72.9 | -172.2 | 171.4 | -170.5 | -4 | 113.1 | L1004 | L1004-R1008 WeakPolarHBondContact O-CG 3.29Å; L1004-R1008 PolarHBondContact O-N 3.1Å |
| 1009 | Q | 36.8 | Very low | 47.6 | Very low | 145 Ų | 145 | 91 Ų | 91 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 3.1 | 172 | -67.5 | -179.4 | -23.6 | 0 | 0 | 114 | S1007 I1049 | S1007-Q1009 PolarHBondContact O-N 2.67Å; Q1009-I1049 HydrophobicContact CB-CD1 4.29Å; Q1009-I1049 WeakPolarHBondContact O-CD1 3.21Å |
| 1010 | Q | 37.2 | Very low | 49.5 | Very low | 131 Ų | 131 | 84.3 Ų | 84.3 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | trans | -136 | 50.6 | 179.1 | -63.2 | -170.7 | 6.3 | 0 | 0 | 112.4 | S1007 R1012 | S1007-Q1010 CarbonylContact O-C 3.52Å; S1007-Q1010 PolarHBondContact O-N 3.42Å; Q1010-R1012 PolarHBondContact O-N 3.32Å; Q1010-R1012 VanDerWaalsContact O-N 3.13Å | ||
| 1011 | L | 37.9 | Very low | 51.6 | Low | 70 Ų | 70 | 80.6 Ų | 80.6 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | trans | -58.9 | 113.4 | 151.4 | -79.3 | 155.5 | 0 | 0 | 0 | 106.7 | L979 T1013 | L979-L1011 HydrophobicContact CD2-CD1 3.71Å; L1011-T1013 PolarHBondContact O-N 3.21Å | ||
| 1012 | R | 41.7 | Very low | 53.4 | Low | 134 Ų | 134 | 74.7 Ų | 74.7 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | trans | -77.7 | 63.6 | -171 | -72.4 | -174.2 | 172.5 | -167.9 | -4.6 | 112 | Q1010 | Q1010-R1012 PolarHBondContact O-N 3.32Å; Q1010-R1012 VanDerWaalsContact O-N 3.13Å | ||
| 1013 | T | 47.6 | Very low | 54.9 | Low | 66 Ų | 66 | 73.1 Ų | 73.1 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | trans | -63.2 | 156.8 | 159.6 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | W975 L1011 K1015 | W975-T1013 HydrophobicContact CB-CG2 3.92Å; W975-T1013 HydrophobicContact CD2-CG2 4.37Å; W975-T1013 HydrophobicContact CG-CG2 4.12Å; L1011-T1013 PolarHBondContact O-N 3.21Å; T1013-K1015 PolarHBondContact O-N 3.11Å | ||
| 1014 | H | 50.6 | Low | 56.3 | Low | 16 Ų | 16 | 69 Ų | 69 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | trans | -48.9 | 127.2 | 175.6 | -54.2 | -87.6 | 0 | 0 | 0 | 111.1 | Y531 W532 S970 S1016 I1018 I1052 | Y531-H1014 PolarHBondContact O-ND1 3.18Å; W532-H1014 AromaticContact CD1-CE1 3.87Å; S970-H1014 PolarHBondContact O-NE2 3.27Å; H1014-S1016 VanDerWaalsContact C-N 3.32Å; H1014-I1018 HydrophobicContact CB-CG1 4.28Å; H1014-I1052 VanDerWaalsContact O-CD1 3.28Å; H1014-I1052 WeakPolarHBondContact O-CD1 3.38Å | ||
| 1015 | K | 49.2 | Very low | 57.3 | Low | 153 Ų | 153 | 70.5 Ų | 70.5 | 67% | 0.665 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -69.9 | -30.3 | -178.6 | -80 | -175.6 | 166.8 | 177 | 0 | 113 | D535 T1013 | D535-K1015 IonicContact OD1-NZ 2.66Å; D535-K1015 PolarHBondContact OD1-NZ 2.98Å; D535-K1015 IonicContact OD2-NZ 3.37Å; D535-K1015 PolarHBondContact OD2-NZ 2.92Å; T1013-K1015 PolarHBondContact O-N 3.11Å |
| 1016 | S | 56.1 | Low | 58.3 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -88.2 | 146 | 168.7 | 46 | 0 | 0 | 0 | 0 | 110.2 | H1014 I1018 | H1014-S1016 VanDerWaalsContact C-N 3.32Å; S1016-I1018 PolarHBondContact O-N 3.07Å |
| 1017 | P | 62.7 | Low | 59.6 | Low | 29 Ų | 29 | 60 Ų | 60 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | trans | -62.1 | 129.3 | 172.6 | 26.6 | -33.9 | 0 | 0 | 0 | 110.2 | C1019 P1034 I1052 | P1017-C1019 PolarHBondContact O-N 2.8Å; P1017-P1034 HydrophobicContact CG-CB 4.42Å; P1017-I1052 HydrophobicContact CB-CG2 3.96Å | ||
| 1018 | I | 76 | Confident | 61.4 | Low | 24 Ų | 24 | 58.8 Ų | 58.8 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | trans | -66.2 | 105.7 | 173.5 | -56.9 | 167.4 | 0 | 0 | 0 | 107.9 | F12 L971 H1014 S1016 V1020 | F12-I1018 HydrophobicContact CD1-CG2 3.66Å; F12-I1018 HydrophobicContact CE1-CG2 3.8Å; L971-I1018 HydrophobicContact CD2-CD1 4.28Å; L971-I1018 HydrophobicContact CD2-CG1 4.34Å; L971-I1018 HydrophobicContact CD2-CG2 4.08Å; H1014-I1018 HydrophobicContact CB-CG1 4.28Å; S1016-I1018 PolarHBondContact O-N 3.07Å; I1018-V1020 HydrophobicContact CG2-CG2 3.99Å | ||
| 1019 | C | 85.2 | Confident | 63.5 | Low | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.9 | 173.4 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | V13 P1017 S1032 | V13-C1019 HydrophobicContact CB-CB 3.84Å; V13-C1019 PolarHBondContact N-O 3.47Å; P1017-C1019 PolarHBondContact O-N 2.8Å; C1019-S1032 WeakPolarHBondContact CA-OG 3.24Å; C1019-S1032 WeakPolarHBondContact CB-O 3.08Å; C1019-S1032 WeakPolarHBondContact CB-OG 3.22Å; C1019-S1032 PolarHBondContact SG-O 3.15Å; C1019-S1032 VanDerWaalsContact SG-O 3.37Å |
| 1020 | V | 88.1 | Confident | 65.9 | Low | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.5 | -172.3 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | I10 P11 F12 I1018 S1032 P1055 L1058 I1062 | I10-V1020 HydrophobicContact CG2-CG1 4.07Å; P11-V1020 CarbonylContact O-C 3.45Å; P11-V1020 WeakPolarHBondContact O-CA 3.33Å; F12-V1020 HydrophobicContact CD1-CG2 3.93Å; F12-V1020 HydrophobicContact CE1-CG2 3.82Å; I1018-V1020 HydrophobicContact CG2-CG2 3.99Å; V1020-S1032 PolarHBondContact N-OG 3.4Å; V1020-S1032 PolarHBondContact O-N 2.83Å; V1020-S1032 PolarHBondContact O-OG 3.45Å; V1020-P1055 HydrophobicContact CG2-CB 3.74Å; V1020-L1058 HydrophobicContact CB-CD1 4.42Å; V1020-I1062 HydrophobicContact CB-CD1 4.32Å; V1020-I1062 HydrophobicContact CG1-CD1 4.12Å; V1020-I1062 HydrophobicContact CG1-CG1 4.41Å; V1020-I1062 HydrophobicContact CG1-CG2 3.94Å |
| 1021 | G | 84.4 | Confident | 68.4 | Low | 4 Ų | 4 | 36 Ų | 36 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 164 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | P11 S1030 | P11-G1021 WeakPolarHBondContact CD-O 3.17Å; P11-G1021 PolarHBondContact O-N 3.08Å; G1021-S1030 CarbonylContact C-O 3.56Å; G1021-S1030 WeakPolarHBondContact CA-O 3.24Å |
| 1022 | L | 82.2 | Confident | 70.8 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.7 | 160.9 | -75.5 | 172.7 | 0 | 0 | 0 | 109.6 | D102 K104 M1029 S1030 I1061 I1062 | D102-L1022 HydrophobicContact CB-CD1 3.79Å; D102-L1022 WeakPolarHBondContact OD2-CD1 3.4Å; K104-L1022 HydrophobicContact CB-CD1 4.41Å; L1022-M1029 CarbonylContact O-C 3.54Å; L1022-M1029 WeakPolarHBondContact O-CA 3.39Å; L1022-S1030 PolarHBondContact N-O 3.41Å; L1022-S1030 PolarHBondContact O-N 3.33Å; L1022-I1061 HydrophobicContact CD2-CB 4.03Å; L1022-I1061 HydrophobicContact CD2-CG2 3.62Å; L1022-I1062 HydrophobicContact CD1-CD1 4.46Å; L1022-I1062 HydrophobicContact CD1-CG1 4.23Å; L1022-I1062 HydrophobicContact CD2-CD1 4.48Å; L1022-I1062 HydrophobicContact CD2-CG1 3.6Å; L1022-I1062 HydrophobicContact CG-CD1 4.06Å; L1022-I1062 HydrophobicContact CG-CG1 3.72Å |
| 1023 | I | 77.3 | Confident | 72.9 | Confident | 49 Ų | 49 | 27 Ų | 27 | 25% | 0.251 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.4 | 172.9 | -41.7 | 174.8 | 0 | 0 | 0 | 108.4 | V9 P11 L842 | V9-I1023 HydrophobicContact CB-CD1 4.26Å; V9-I1023 HydrophobicContact CG1-CD1 4.03Å; P11-I1023 HydrophobicContact CG-CD1 3.98Å; P11-I1023 HydrophobicContact CG-CG1 3.67Å; L842-I1023 HydrophobicContact CD1-CD1 3.56Å |
| 1024 | S | 69.8 | Low | 74.4 | Confident | 12 Ų | 12 | 23.9 Ų | 23.9 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | trans | -87.6 | 165.9 | 178.5 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | C105 C1026 G1027 C1028 | C105-S1024 WeakPolarHBondContact O-CB 3.42Å; S1024-C1026 PolarHBondContact O-N 2.9Å; S1024-C1026 VanDerWaalsContact O-N 3.09Å; S1024-C1026 PolarHBondContact OG-SG 2.93Å; S1024-G1027 PolarHBondContact O-N 2.85Å; S1024-G1027 PolarHBondContact OG-N 2.92Å; S1024-C1028 WeakPolarHBondContact CB-O 3.44Å; S1024-C1028 PolarHBondContact N-O 2.73Å; S1024-C1028 WeakPolarHBondContact OG-CA 3.2Å; S1024-C1028 WeakPolarHBondContact OG-CB 3.33Å; S1024-C1028 PolarHBondContact OG-N 3.29Å; S1024-C1028 PolarHBondContact OG-O 3.11Å | ||
| 1025 | K | 64.7 | Low | 75.1 | Confident | 98 Ų | 98 | 24.1 Ų | 24.1 | 43% | 0.426 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21 | 177 | -60.9 | 178.4 | -168 | 160.4 | 0 | 113.7 | E1371 | K1025-E1371 IonicContact NZ-OE1 2.78Å; K1025-E1371 PolarHBondContact NZ-OE1 3.25Å; K1025-E1371 IonicContact NZ-OE2 2.67Å; K1025-E1371 PolarHBondContact NZ-OE2 2.69Å |
| 1026 | C | 61.7 | Low | 76.1 | Confident | 32 Ų | 32 | 18.8 Ų | 18.8 | 22% | 0.216 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.3 | -179.3 | 36.7 | 0 | 0 | 0 | 0 | 113.3 | C105 F108 S1024 | C105-C1026 VanDerWaalsContact SG-SG 3.69Å; F108-C1026 HydrophobicContact CB-CB 3.7Å; F108-C1026 VanDerWaalsContact CB-SG 3.52Å; F108-C1026 HydrophobicContact CD1-CB 4.49Å; F108-C1026 HydrophobicContact CG-CB 4.22Å; S1024-C1026 PolarHBondContact O-N 2.9Å; S1024-C1026 VanDerWaalsContact O-N 3.09Å; S1024-C1026 PolarHBondContact OG-SG 2.93Å |
| 1027 | G | 65.2 | Low | 76.2 | Confident | 5 Ų | 5 | 19.4 Ų | 19.4 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 89.3 | -0.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I840 S1024 | I840-G1027 WeakPolarHBondContact CD1-O 3.3Å; I840-G1027 WeakPolarHBondContact CG1-O 3.25Å; S1024-G1027 PolarHBondContact O-N 2.85Å; S1024-G1027 PolarHBondContact OG-N 2.92Å |
| 1028 | C | 76 | Confident | 75.5 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | trans | -67.3 | 146.5 | 166.5 | -42.8 | 0 | 0 | 0 | 0 | 110 | T63 W98 C105 F108 S1024 | T63-C1028 CarbonylContact O-C 3.6Å; T63-C1028 WeakPolarHBondContact O-CA 3.37Å; W98-C1028 HydrophobicContact CH2-CB 3.82Å; W98-C1028 HydrophobicContact CZ3-CB 3.98Å; C105-C1028 HydrophobicContact CB-CB 4Å; F108-C1028 WeakPolarHBondContact CD2-SG 3.37Å; S1024-C1028 WeakPolarHBondContact CB-O 3.44Å; S1024-C1028 PolarHBondContact N-O 2.73Å; S1024-C1028 WeakPolarHBondContact OG-CA 3.2Å; S1024-C1028 WeakPolarHBondContact OG-CB 3.33Å; S1024-C1028 PolarHBondContact OG-N 3.29Å; S1024-C1028 PolarHBondContact OG-O 3.11Å | ||
| 1029 | M | 82.3 | Confident | 74.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 160.9 | 176.9 | -56.4 | -174.4 | -71.6 | 0 | 0 | 112.9 | L62 T63 I840 Y870 V902 H904 L1022 L1031 | L62-M1029 WeakPolarHBondContact CA-O 3.39Å; T63-M1029 PolarHBondContact N-O 3.26Å; T63-M1029 PolarHBondContact O-N 3.43Å; T63-M1029 WeakPolarHBondContact OG1-CE 3.37Å; I840-M1029 HydrophobicContact CD1-CE 3.98Å; I840-M1029 HydrophobicContact CD1-CG 3.44Å; I840-M1029 VanDerWaalsContact CD1-CG 3.44Å; I840-M1029 HydrophobicContact CD1-SD 3.43Å; I840-M1029 WeakPolarHBondContact CD1-SD 3.3Å; Y870-M1029 HydrophobicContact CD1-CE 3.7Å; Y870-M1029 HydrophobicContact CE1-CE 3.44Å; Y870-M1029 VanDerWaalsContact CE1-CE 3.44Å; Y870-M1029 HydrophobicContact CG-CE 4.35Å; V902-M1029 HydrophobicContact CG1-SD 4.49Å; H904-M1029 PolarHBondContact NE2-SD 3.34Å; H904-M1029 VanDerWaalsContact NE2-SD 3.41Å; L1022-M1029 CarbonylContact O-C 3.54Å; L1022-M1029 WeakPolarHBondContact O-CA 3.39Å; M1029-L1031 HydrophobicContact CB-CD2 4.07Å; M1029-L1031 HydrophobicContact CB-CG 4.32Å; M1029-L1031 HydrophobicContact CE-CD1 4.39Å; M1029-L1031 HydrophobicContact SD-CD2 4.28Å |
| 1030 | S | 88.1 | Confident | 71.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 113.1 | 175.7 | -36.7 | 0 | 0 | 0 | 0 | 107.2 | D102 G103 K104 G1021 L1022 | D102-S1030 WeakPolarHBondContact O-CB 3.47Å; G103-S1030 WeakPolarHBondContact O-CB 3.41Å; G103-S1030 PolarHBondContact O-OG 2.69Å; K104-S1030 WeakPolarHBondContact CA-OG 3.47Å; G1021-S1030 CarbonylContact C-O 3.56Å; G1021-S1030 WeakPolarHBondContact CA-O 3.24Å; L1022-S1030 PolarHBondContact N-O 3.41Å; L1022-S1030 PolarHBondContact O-N 3.33Å |
| 1031 | L | 88.9 | Confident | 68.8 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126 | -166.9 | -55.5 | 179.6 | 0 | 0 | 0 | 110.7 | V13 W15 W60 M61 T63 I872 V902 M1029 | V13-L1031 HydrophobicContact CG2-CB 4.27Å; V13-L1031 HydrophobicContact CG2-CD2 3.95Å; V13-L1031 HydrophobicContact CG2-CG 4.5Å; W15-L1031 HydrophobicContact CZ2-CB 4.33Å; W60-L1031 CarbonylContact C-O 3.58Å; W60-L1031 WeakPolarHBondContact CA-O 3.06Å; W60-L1031 VanDerWaalsContact CE3-C 3.44Å; M61-L1031 PolarHBondContact N-O 2.85Å; M61-L1031 PolarHBondContact O-N 3.03Å; T63-L1031 HydrophobicContact CG2-CD1 4.44Å; I872-L1031 HydrophobicContact CD1-CD1 3.37Å; V902-L1031 HydrophobicContact CG1-CD2 4.36Å; V902-L1031 HydrophobicContact CG2-CD1 3.89Å; M1029-L1031 HydrophobicContact CB-CD2 4.07Å; M1029-L1031 HydrophobicContact CB-CG 4.32Å; M1029-L1031 HydrophobicContact CE-CD1 4.39Å; M1029-L1031 HydrophobicContact SD-CD2 4.28Å |
| 1032 | S | 89 | Confident | 66.1 | Low | 7 Ų | 7 | 42.8 Ų | 42.8 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.7 | -176.4 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | W15 R59 C1019 V1020 | W15-S1032 PolarHBondContact NE1-O 2.71Å; R59-S1032 WeakPolarHBondContact O-CA 3.28Å; C1019-S1032 WeakPolarHBondContact CA-OG 3.24Å; C1019-S1032 WeakPolarHBondContact CB-O 3.08Å; C1019-S1032 WeakPolarHBondContact CB-OG 3.22Å; C1019-S1032 PolarHBondContact SG-O 3.15Å; C1019-S1032 VanDerWaalsContact SG-O 3.37Å; V1020-S1032 PolarHBondContact N-OG 3.4Å; V1020-S1032 PolarHBondContact O-N 2.83Å; V1020-S1032 PolarHBondContact O-OG 3.45Å |
| 1033 | M | 86.4 | Confident | 63.6 | Low | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 149.3 | -176.9 | -65.9 | -72 | -85.4 | 0 | 0 | 111.4 | W15 P20 I46 P58 R59 M61 L415 W419 | W15-M1033 HydrophobicContact CH2-SD 3.38Å; W15-M1033 WeakPolarHBondContact CH2-SD 3.4Å; W15-M1033 HydrophobicContact CZ2-CG 4.49Å; W15-M1033 HydrophobicContact CZ2-SD 3.38Å; W15-M1033 WeakPolarHBondContact CZ2-SD 3.24Å; W15-M1033 HydrophobicContact CZ3-SD 4.15Å; P20-M1033 HydrophobicContact CG-CE 4.46Å; I46-M1033 HydrophobicContact CD1-CE 4.1Å; P58-M1033 HydrophobicContact CB-CB 3.91Å; P58-M1033 HydrophobicContact CB-CE 3.96Å; P58-M1033 HydrophobicContact CB-CG 4.1Å; P58-M1033 HydrophobicContact CG-CB 4.27Å; P58-M1033 HydrophobicContact CG-CE 4.43Å; P58-M1033 WeakPolarHBondContact O-CB 3.48Å; R59-M1033 PolarHBondContact O-N 2.73Å; M61-M1033 HydrophobicContact CB-CE 4.5Å; M61-M1033 HydrophobicContact CB-CG 4.27Å; M61-M1033 HydrophobicContact CB-SD 3.66Å; L415-M1033 HydrophobicContact CD2-CE 3.56Å; W419-M1033 HydrophobicContact CH2-CE 3.56Å; W419-M1033 HydrophobicContact CH2-SD 4.12Å; W419-M1033 HydrophobicContact CZ3-CE 3.85Å |
| 1034 | P | 77.9 | Confident | 61.2 | Low | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 145 | 171.2 | 31.6 | -32.7 | 0 | 0 | 0 | 110.2 | W15 W419 L424 P1017 | W15-P1034 HydrophobicContact CG-CG 4.31Å; W419-P1034 HydrophobicContact CD2-CG 4.47Å; W419-P1034 HydrophobicContact CE3-CG 4.09Å; W419-P1034 VanDerWaalsContact CH2-CD 3.44Å; W419-P1034 HydrophobicContact CH2-CG 3.47Å; W419-P1034 VanDerWaalsContact CH2-CG 3.47Å; W419-P1034 HydrophobicContact CZ2-CG 3.87Å; W419-P1034 HydrophobicContact CZ3-CG 3.58Å; L424-P1034 HydrophobicContact CD1-CG 4.16Å; P1017-P1034 HydrophobicContact CG-CB 4.42Å |
| 1035 | G | 66.9 | Low | 59.3 | Low | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -10.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | H422 C1037 | H422-G1035 WeakPolarHBondContact NE2-CA 3.19Å; G1035-C1037 VanDerWaalsContact C-N 3.32Å; G1035-C1037 PolarHBondContact O-N 2.89Å |
| 1036 | Y | 69.9 | Low | 57.6 | Low | 41 Ų | 41 | 59.1 Ų | 59.1 | 16% | 0.161 | 34% | 0.338 | C | S | . | . | trans | -77.3 | 78.2 | 168.3 | -176.7 | -104.5 | 0 | 0 | 0 | 112 | P58 R59 T1038 P1053 | P58-Y1036 WeakPolarHBondContact O-CB 3.27Å; R59-Y1036 HydrophobicContact CB-CD1 4.49Å; R59-Y1036 HydrophobicContact CB-CD2 3.81Å; R59-Y1036 HydrophobicContact CB-CE2 4.26Å; R59-Y1036 HydrophobicContact CB-CG 3.94Å; R59-Y1036 HydrophobicContact CG-CD1 3.8Å; R59-Y1036 HydrophobicContact CG-CD2 3.82Å; R59-Y1036 HydrophobicContact CG-CE1 3.92Å; R59-Y1036 HydrophobicContact CG-CE2 3.95Å; R59-Y1036 HydrophobicContact CG-CG 3.75Å; Y1036-T1038 HydrophobicContact CD1-CG2 4.49Å; Y1036-T1038 HydrophobicContact CE1-CG2 3.71Å; Y1036-P1053 WeakPolarHBondContact O-CG 3.32Å | ||
| 1037 | C | 57.6 | Low | 56 | Low | 59 Ų | 59 | 61.3 Ų | 61.3 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | trans | -81.3 | 128.7 | 165.4 | -67.7 | 0 | 0 | 0 | 0 | 110.2 | G1035 K1039 | G1035-C1037 VanDerWaalsContact C-N 3.32Å; G1035-C1037 PolarHBondContact O-N 2.89Å; C1037-K1039 PolarHBondContact O-N 2.7Å | ||
| 1038 | T | 49 | Very low | 54.3 | Low | 44 Ų | 44 | 65.3 Ų | 65.3 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -70.7 | 94.9 | -178.1 | 34.7 | 0 | 0 | 0 | 0 | 111.9 | Y1036 | Y1036-T1038 HydrophobicContact CD1-CG2 4.49Å; Y1036-T1038 HydrophobicContact CE1-CG2 3.71Å |
| 1039 | K | 45 | Very low | 52.5 | Low | 189 Ų | 189 | 70.7 Ų | 70.7 | 82% | 0.822 | 42% | 0.42 | S | S | * | . | trans | 66.4 | 95.2 | -179.9 | -64.2 | -171.6 | 175.2 | -175.5 | 0 | 114.8 | C1037 T1041 | C1037-K1039 PolarHBondContact O-N 2.7Å; K1039-T1041 PolarHBondContact O-N 2.93Å | ||
| 1040 | S | 31.9 | Very low | 50.4 | Low | 111 Ų | 111 | 78.6 Ų | 78.6 | 78% | 0.776 | 46% | 0.457 | S | S | * | . | trans | -61.5 | 102 | 159.4 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1041 | T | 31.7 | Very low | 48.3 | Very low | 70 Ų | 70 | 84.3 Ų | 84.3 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | trans | -86.5 | 117.7 | 161.7 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | K1039 I1043 | K1039-T1041 PolarHBondContact O-N 2.93Å; T1041-I1043 VanDerWaalsContact C-N 3.32Å; T1041-I1043 PolarHBondContact O-N 2.87Å | ||
| 1042 | T | 26.7 | Very low | 46.4 | Very low | 140 Ų | 140 | 87.7 Ų | 87.7 | 86% | 0.859 | 50% | 0.501 | S | S | * | . | trans | -70.6 | 80.7 | 177.5 | 41.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1043 | I | 30.1 | Very low | 44.8 | Very low | 108 Ų | 108 | 88.4 Ų | 88.4 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | trans | -91.5 | 138.9 | 173 | -61.5 | -179.8 | 0 | 0 | 0 | 110 | T1041 L1155 | T1041-I1043 VanDerWaalsContact C-N 3.32Å; T1041-I1043 PolarHBondContact O-N 2.87Å; I1043-L1155 HydrophobicContact CD1-CD2 4.14Å | ||
| 1044 | S | 27.2 | Very low | 43.9 | Very low | 97 Ų | 97 | 89.8 Ų | 89.8 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | trans | -78.6 | 137.7 | -169 | 53 | 0 | 0 | 0 | 0 | 114.7 | S1046 | S1044-S1046 PolarHBondContact O-N 3.07Š| ||
| 1045 | K | 30 | Very low | 43.8 | Very low | 222 Ų | 222 | 90.2 Ų | 90.2 | 97% | 0.965 | 51% | 0.514 | S | S | * | . | S | Bend | trans | 21.6 | 61.3 | 153.6 | -67.6 | -170.4 | 177.4 | -177.1 | 0 | 117.1 | ||
| 1046 | S | 27.5 | Very low | 44.3 | Very low | 84 Ų | 84 | 89.3 Ų | 89.3 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -148.6 | 153.7 | 156.3 | 56.5 | 0 | 0 | 0 | 0 | 107.6 | S1044 S1048 | S1044-S1046 PolarHBondContact O-N 3.07Å; S1046-S1048 VanDerWaalsContact C-N 3.25Å; S1046-S1048 PolarHBondContact O-N 3.43Å |
| 1047 | G | 29 | Very low | 44.6 | Very low | 77 Ų | 77 | 88.7 Ų | 88.7 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | trans | -75 | 61.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1048 | S | 29.6 | Very low | 45.5 | Very low | 89 Ų | 89 | 86.8 Ų | 86.8 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | trans | -84.9 | 125.2 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | S1046 | S1046-S1048 VanDerWaalsContact C-N 3.25Å; S1046-S1048 PolarHBondContact O-N 3.43Å | ||
| 1049 | I | 37.6 | Very low | 46.9 | Very low | 115 Ų | 115 | 85 Ų | 85 | 59% | 0.59 | 48% | 0.481 | S | S | * | . | trans | -59.8 | 134.7 | 179.2 | -62.2 | 162.2 | 0 | 0 | 0 | 110.7 | Q1009 Q1051 | Q1009-I1049 HydrophobicContact CB-CD1 4.29Å; Q1009-I1049 WeakPolarHBondContact O-CD1 3.21Å; I1049-Q1051 PolarHBondContact O-N 3.01Å; I1049-Q1051 VanDerWaalsContact O-N 3.13Å | ||
| 1050 | Q | 38.8 | Very low | 48.5 | Very low | 167 Ų | 167 | 76.5 Ų | 76.5 | 78% | 0.78 | 45% | 0.445 | S | S | * | . | trans | -63.8 | 110.9 | 168.2 | -72.9 | -178.2 | -15.4 | 0 | 0 | 109.2 | I1052 | Q1050-I1052 PolarHBondContact O-N 2.99Š| ||
| 1051 | Q | 44.1 | Very low | 50.7 | Low | 121 Ų | 121 | 71.9 Ų | 71.9 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 116.2 | 177 | -69.9 | -172.8 | 3.1 | 0 | 0 | 110 | I1049 | I1049-Q1051 PolarHBondContact O-N 3.01Å; I1049-Q1051 VanDerWaalsContact O-N 3.13Å |
| 1052 | I | 49.6 | Very low | 53.2 | Low | 72 Ų | 72 | 68.7 Ų | 68.7 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 135.5 | 173.7 | -77.1 | 170 | 0 | 0 | 0 | 109.3 | H1014 P1017 Q1050 H1054 | H1014-I1052 VanDerWaalsContact O-CD1 3.28Å; H1014-I1052 WeakPolarHBondContact O-CD1 3.38Å; P1017-I1052 HydrophobicContact CB-CG2 3.96Å; Q1050-I1052 PolarHBondContact O-N 2.99Å; I1052-H1054 PolarHBondContact O-N 3.22Å |
| 1053 | P | 54 | Low | 55.9 | Low | 21 Ų | 21 | 62.1 Ų | 62.1 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 121.1 | 175.4 | 28 | -37.3 | 0 | 0 | 0 | 109.8 | Y1036 | Y1036-P1053 WeakPolarHBondContact O-CG 3.32Š|
| 1054 | H | 67.8 | Low | 58.6 | Low | 38 Ų | 38 | 57 Ų | 57 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 136 | -178.3 | -165.7 | -102.2 | 0 | 0 | 0 | 110.4 | P974 W975 I1052 Y1056 C1057 | P974-H1054 VanDerWaalsContact CA-CE1 3.44Å; P974-H1054 WeakPolarHBondContact CA-CE1 3.37Å; P974-H1054 VanDerWaalsContact CA-NE2 3.25Å; P974-H1054 WeakPolarHBondContact CA-NE2 3.36Å; P974-H1054 VanDerWaalsContact CB-CE1 3.43Å; P974-H1054 WeakPolarHBondContact CB-CE1 3.33Å; W975-H1054 PolarHBondContact N-NE2 3.37Å; I1052-H1054 PolarHBondContact O-N 3.22Å; H1054-Y1056 AromaticContact CE1-CD2 3.31Å; H1054-Y1056 WeakPolarHBondContact CE1-CD2 3.34Å; H1054-Y1056 AromaticContact ND1-CD2 3.67Å; H1054-Y1056 PolarHBondContact O-N 3.02Å; H1054-Y1056 VanDerWaalsContact O-N 3.12Å; H1054-C1057 WeakPolarHBondContact O-CB 3.4Å; H1054-C1057 PolarHBondContact O-N 2.98Å |
| 1055 | P | 74.8 | Confident | 61.4 | Low | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -62.5 | -28.2 | -171.8 | 22.1 | -32.9 | 0 | 0 | 0 | 113.3 | V1020 C1057 L1058 L1066 | V1020-P1055 HydrophobicContact CG2-CB 3.74Å; P1055-C1057 PolarHBondContact O-N 3.01Å; P1055-L1058 WeakPolarHBondContact O-CB 3.45Å; P1055-L1058 WeakPolarHBondContact O-CG 3.49Å; P1055-L1058 PolarHBondContact O-N 3.42Å; P1055-L1066 HydrophobicContact CB-CD1 4.29Å |
| 1056 | Y | 78.1 | Confident | 64.3 | Low | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -72 | -2.3 | 172.7 | -67.1 | -102.2 | 0 | 0 | 0 | 114.4 | I972 P974 H1054 S1063 L1066 I1067 F1138 P1160 | I972-Y1056 WeakPolarHBondContact O-CE2 3.45Å; I972-Y1056 VanDerWaalsContact O-CZ 3.27Å; I972-Y1056 PolarHBondContact O-OH 2.79Å; P974-Y1056 HydrophobicContact CB-CD2 4.22Å; P974-Y1056 HydrophobicContact CB-CE2 3.93Å; H1054-Y1056 AromaticContact CE1-CD2 3.31Å; H1054-Y1056 WeakPolarHBondContact CE1-CD2 3.34Å; H1054-Y1056 AromaticContact ND1-CD2 3.67Å; H1054-Y1056 PolarHBondContact O-N 3.02Å; H1054-Y1056 VanDerWaalsContact O-N 3.12Å; Y1056-S1063 WeakPolarHBondContact CA-OG 3.39Å; Y1056-S1063 PolarHBondContact O-OG 3.48Å; Y1056-L1066 HydrophobicContact CD1-CB 4.22Å; Y1056-L1066 HydrophobicContact CD1-CD1 4.12Å; Y1056-L1066 HydrophobicContact CD2-CD1 3.81Å; Y1056-L1066 HydrophobicContact CE1-CB 3.44Å; Y1056-L1066 VanDerWaalsContact CE1-CB 3.44Å; Y1056-L1066 HydrophobicContact CE1-CD1 4.03Å; Y1056-L1066 HydrophobicContact CE1-CG 4.39Å; Y1056-L1066 HydrophobicContact CE2-CB 4.17Å; Y1056-L1066 HydrophobicContact CE2-CD1 3.75Å; Y1056-L1066 HydrophobicContact CG-CD1 4.03Å; Y1056-L1066 VanDerWaalsContact CZ-CB 3.45Å; Y1056-L1066 WeakPolarHBondContact OH-CB 3.49Å; Y1056-I1067 HydrophobicContact CD1-CG1 4.42Å; Y1056-I1067 HydrophobicContact CE1-CG1 3.73Å; Y1056-F1138 AromaticContact CD1-CE1 3.46Å; Y1056-F1138 HydrophobicContact CD1-CE1 3.46Å; Y1056-F1138 VanDerWaalsContact CD1-CE1 3.46Å; Y1056-F1138 AromaticContact CD1-CZ 3.49Å; Y1056-F1138 HydrophobicContact CD1-CZ 3.49Å; Y1056-F1138 VanDerWaalsContact CD1-CZ 3.49Å; Y1056-F1138 HydrophobicContact CD2-CZ 4.4Å; Y1056-F1138 AromaticContact CE1-CE1 3.44Å; Y1056-F1138 HydrophobicContact CE1-CE1 3.44Å; Y1056-F1138 VanDerWaalsContact CE1-CE1 3.44Å; Y1056-F1138 AromaticContact CE1-CZ 3.91Å; Y1056-F1138 HydrophobicContact CE1-CZ 3.91Å; Y1056-F1138 HydrophobicContact CG-CE1 4.16Å; Y1056-F1138 AromaticContact CG-CZ 3.75Å; Y1056-F1138 HydrophobicContact CG-CZ 3.75Å; Y1056-P1160 WeakPolarHBondContact O-CD 3.3Å |
| 1057 | C | 76.1 | Confident | 67.3 | Low | 29 Ų | 29 | 38.4 Ų | 38.4 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -97.5 | -0.2 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | H1054 P1055 P1157 | H1054-C1057 WeakPolarHBondContact O-CB 3.4Å; H1054-C1057 PolarHBondContact O-N 2.98Å; P1055-C1057 PolarHBondContact O-N 3.01Å; C1057-P1157 HydrophobicContact CB-CB 4.41Å; C1057-P1157 HydrophobicContact CB-CG 4.2Å |
| 1058 | L | 75.9 | Confident | 70.2 | Confident | 19 Ų | 19 | 34.7 Ų | 34.7 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -86.3 | -40.7 | -172.3 | -62.3 | 175.4 | 0 | 0 | 0 | 114.3 | W60 V1020 P1055 I1062 | W60-L1058 HydrophobicContact CH2-CB 3.94Å; W60-L1058 HydrophobicContact CH2-CD1 4.42Å; W60-L1058 HydrophobicContact CZ2-CB 4.05Å; V1020-L1058 HydrophobicContact CB-CD1 4.42Å; P1055-L1058 WeakPolarHBondContact O-CB 3.45Å; P1055-L1058 WeakPolarHBondContact O-CG 3.49Å; P1055-L1058 PolarHBondContact O-N 3.42Å; L1058-I1062 HydrophobicContact CB-CD1 4.03Å; L1058-I1062 HydrophobicContact CD1-CD1 4.4Å |
| 1059 | S | 78.9 | Confident | 73.1 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | trans | -160.9 | 144.5 | -176.8 | 170 | 0 | 0 | 0 | 0 | 111.4 | D102 I1061 I1062 S1063 | D102-S1059 VanDerWaalsContact CB-CB 3.45Å; D102-S1059 WeakPolarHBondContact CB-OG 3.34Å; D102-S1059 PolarHBondContact OD2-OG 3.04Å; S1059-I1061 PolarHBondContact O-N 2.96Å; S1059-I1061 PolarHBondContact OG-N 3Å; S1059-I1061 VanDerWaalsContact OG-N 3.09Å; S1059-I1062 PolarHBondContact O-N 2.85Å; S1059-S1063 PolarHBondContact O-N 3.23Å; S1059-S1063 PolarHBondContact O-OG 2.76Å | ||
| 1060 | S | 78.2 | Confident | 75.7 | Confident | 11 Ų | 11 | 25 Ų | 25 | 8% | 0.077 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52.3 | -36.6 | 171.2 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | T1064 P1161 E1163 | S1060-T1064 VanDerWaalsContact O-CB 3.27Å; S1060-T1064 WeakPolarHBondContact O-CB 3.47Å; S1060-T1064 PolarHBondContact O-N 2.95Å; S1060-T1064 PolarHBondContact O-OG1 2.84Å; S1060-P1161 VanDerWaalsContact CA-O 3.3Å; S1060-P1161 WeakPolarHBondContact CA-O 3.49Å; S1060-P1161 WeakPolarHBondContact CB-O 3.48Å; S1060-E1163 PolarHBondContact OG-OE1 3.03Å |
| 1061 | I | 79.8 | Confident | 78.2 | Confident | 14 Ų | 14 | 17.5 Ų | 17.5 | 7% | 0.072 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -79.3 | -38.8 | -174.9 | -61.8 | 164.7 | 0 | 0 | 0 | 111.2 | K104 L1022 S1059 N1065 E1163 L1166 | K104-I1061 HydrophobicContact CD-CD1 3.34Å; L1022-I1061 HydrophobicContact CD2-CB 4.03Å; L1022-I1061 HydrophobicContact CD2-CG2 3.62Å; S1059-I1061 PolarHBondContact O-N 2.96Å; S1059-I1061 PolarHBondContact OG-N 3Å; S1059-I1061 VanDerWaalsContact OG-N 3.09Å; I1061-N1065 VanDerWaalsContact O-CB 3.27Å; I1061-N1065 WeakPolarHBondContact O-CB 3.44Å; I1061-N1065 VanDerWaalsContact O-CG 3.31Å; I1061-N1065 PolarHBondContact O-N 2.95Å; I1061-E1163 HydrophobicContact CG1-CG 3.92Å; I1061-L1166 HydrophobicContact CG2-CD1 4.14Å |
| 1062 | I | 83.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.6 | -53.2 | 172.7 | -69.2 | 177.4 | 0 | 0 | 0 | 108.9 | W60 V1020 L1022 L1058 S1059 T1064 N1065 L1066 | W60-I1062 HydrophobicContact CH2-CD1 3.67Å; W60-I1062 HydrophobicContact CZ3-CD1 4.29Å; V1020-I1062 HydrophobicContact CB-CD1 4.32Å; V1020-I1062 HydrophobicContact CG1-CD1 4.12Å; V1020-I1062 HydrophobicContact CG1-CG1 4.41Å; V1020-I1062 HydrophobicContact CG1-CG2 3.94Å; L1022-I1062 HydrophobicContact CD1-CD1 4.46Å; L1022-I1062 HydrophobicContact CD1-CG1 4.23Å; L1022-I1062 HydrophobicContact CD2-CD1 4.48Å; L1022-I1062 HydrophobicContact CD2-CG1 3.6Å; L1022-I1062 HydrophobicContact CG-CD1 4.06Å; L1022-I1062 HydrophobicContact CG-CG1 3.72Å; L1058-I1062 HydrophobicContact CB-CD1 4.03Å; L1058-I1062 HydrophobicContact CD1-CD1 4.4Å; S1059-I1062 PolarHBondContact O-N 2.85Å; I1062-T1064 PolarHBondContact O-N 2.96Å; I1062-N1065 PolarHBondContact O-N 2.8Å; I1062-N1065 VanDerWaalsContact O-N 3.14Å; I1062-L1066 HydrophobicContact CG2-CD1 3.59Å; I1062-L1066 HydrophobicContact CG2-CG 4.12Å; I1062-L1066 VanDerWaalsContact O-CG 3.31Å; I1062-L1066 WeakPolarHBondContact O-CG 3.45Å; I1062-L1066 PolarHBondContact O-N 3.37Å |
| 1063 | S | 84.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -55.3 | -50.2 | 178.7 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | Y1056 S1059 N1065 L1066 I1067 | Y1056-S1063 WeakPolarHBondContact CA-OG 3.39Å; Y1056-S1063 PolarHBondContact O-OG 3.48Å; S1059-S1063 PolarHBondContact O-N 3.23Å; S1059-S1063 PolarHBondContact O-OG 2.76Å; S1063-N1065 VanDerWaalsContact C-N 3.31Å; S1063-N1065 PolarHBondContact O-N 2.73Å; S1063-L1066 PolarHBondContact O-N 2.94Å; S1063-I1067 WeakPolarHBondContact O-CG1 3.22Å; S1063-I1067 PolarHBondContact O-N 2.81Å |
| 1064 | T | 86.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 179 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | S1060 I1062 L1068 I1162 E1163 L1166 F1167 | S1060-T1064 VanDerWaalsContact O-CB 3.27Å; S1060-T1064 WeakPolarHBondContact O-CB 3.47Å; S1060-T1064 PolarHBondContact O-N 2.95Å; S1060-T1064 PolarHBondContact O-OG1 2.84Å; I1062-T1064 PolarHBondContact O-N 2.96Å; T1064-L1068 VanDerWaalsContact O-CB 3.25Å; T1064-L1068 WeakPolarHBondContact O-CB 3.39Å; T1064-L1068 PolarHBondContact O-N 2.95Å; T1064-L1068 VanDerWaalsContact O-N 3.08Å; T1064-I1162 HydrophobicContact CG2-CG2 4.31Å; T1064-E1163 HydrophobicContact CG2-CB 4.1Å; T1064-E1163 PolarHBondContact OG1-N 2.68Å; T1064-L1166 HydrophobicContact CG2-CB 3.88Å; T1064-L1166 HydrophobicContact CG2-CD1 4.06Å; T1064-L1166 HydrophobicContact CG2-CD2 4.38Å; T1064-L1166 HydrophobicContact CG2-CG 4.33Å; T1064-F1167 HydrophobicContact CG2-CD1 4.03Å; T1064-F1167 HydrophobicContact CG2-CE1 3.42Å; T1064-F1167 VanDerWaalsContact CG2-CE1 3.42Å; T1064-F1167 HydrophobicContact CG2-CE2 4.46Å; T1064-F1167 HydrophobicContact CG2-CZ 3.68Å |
| 1065 | N | 86.7 | Confident | 85.3 | Confident | 12 Ų | 12 | 9 Ų | 9 | 6% | 0.064 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -70.3 | -40.4 | 176.3 | -82.2 | -10.9 | 0 | 0 | 0 | 112.8 | N7 I1061 I1062 S1063 L1068 S1069 L1166 | N7-N1065 PolarHBondContact O-ND2 3.31Å; N7-N1065 PolarHBondContact O-OD1 2.9Å; I1061-N1065 VanDerWaalsContact O-CB 3.27Å; I1061-N1065 WeakPolarHBondContact O-CB 3.44Å; I1061-N1065 VanDerWaalsContact O-CG 3.31Å; I1061-N1065 PolarHBondContact O-N 2.95Å; I1062-N1065 PolarHBondContact O-N 2.8Å; I1062-N1065 VanDerWaalsContact O-N 3.14Å; S1063-N1065 VanDerWaalsContact C-N 3.31Å; S1063-N1065 PolarHBondContact O-N 2.73Å; N1065-L1068 PolarHBondContact O-N 3.48Å; N1065-S1069 WeakPolarHBondContact O-CB 3.37Å; N1065-S1069 PolarHBondContact O-N 3.16Å; N1065-S1069 PolarHBondContact O-OG 2.73Å; N1065-L1166 WeakPolarHBondContact OD1-CD1 3.36Å |
| 1066 | L | 89.3 | Confident | 86 | Confident | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.7 | -48.5 | 178.6 | -69 | 170.8 | 0 | 0 | 0 | 110.8 | I10 F12 I972 P1055 Y1056 I1062 S1063 L1068 S1069 G1070 | I10-L1066 HydrophobicContact CD1-CD2 4.05Å; I10-L1066 HydrophobicContact CG2-CD2 4.38Å; F12-L1066 HydrophobicContact CZ-CD2 3.94Å; I972-L1066 HydrophobicContact CG1-CD2 3.89Å; I972-L1066 WeakPolarHBondContact CG2-O 3.41Å; P1055-L1066 HydrophobicContact CB-CD1 4.29Å; Y1056-L1066 HydrophobicContact CD1-CB 4.22Å; Y1056-L1066 HydrophobicContact CD1-CD1 4.12Å; Y1056-L1066 HydrophobicContact CD2-CD1 3.81Å; Y1056-L1066 HydrophobicContact CE1-CB 3.44Å; Y1056-L1066 VanDerWaalsContact CE1-CB 3.44Å; Y1056-L1066 HydrophobicContact CE1-CD1 4.03Å; Y1056-L1066 HydrophobicContact CE1-CG 4.39Å; Y1056-L1066 HydrophobicContact CE2-CB 4.17Å; Y1056-L1066 HydrophobicContact CE2-CD1 3.75Å; Y1056-L1066 HydrophobicContact CG-CD1 4.03Å; Y1056-L1066 VanDerWaalsContact CZ-CB 3.45Å; Y1056-L1066 WeakPolarHBondContact OH-CB 3.49Å; I1062-L1066 HydrophobicContact CG2-CD1 3.59Å; I1062-L1066 HydrophobicContact CG2-CG 4.12Å; I1062-L1066 VanDerWaalsContact O-CG 3.31Å; I1062-L1066 WeakPolarHBondContact O-CG 3.45Å; I1062-L1066 PolarHBondContact O-N 3.37Å; S1063-L1066 PolarHBondContact O-N 2.94Å; L1066-L1068 PolarHBondContact O-N 3.34Å; L1066-S1069 PolarHBondContact O-N 2.7Å; L1066-S1069 VanDerWaalsContact O-N 3.16Å; L1066-G1070 PolarHBondContact O-N 2.87Å |
| 1067 | I | 90.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 174.9 | -56.8 | 177.9 | 0 | 0 | 0 | 110.4 | Y1056 S1063 S1069 G1070 V1071 F1138 I1139 I1142 I1162 L1185 | Y1056-I1067 HydrophobicContact CD1-CG1 4.42Å; Y1056-I1067 HydrophobicContact CE1-CG1 3.73Å; S1063-I1067 WeakPolarHBondContact O-CG1 3.22Å; S1063-I1067 PolarHBondContact O-N 2.81Å; I1067-S1069 PolarHBondContact O-N 2.84Å; I1067-G1070 PolarHBondContact O-N 2.86Å; I1067-V1071 HydrophobicContact CG2-CG2 4.37Å; I1067-V1071 WeakPolarHBondContact O-CG2 3.21Å; I1067-V1071 PolarHBondContact O-N 2.9Å; I1067-F1138 HydrophobicContact CD1-CD1 3.97Å; I1067-F1138 HydrophobicContact CD1-CE1 3.81Å; I1067-F1138 HydrophobicContact CG1-CD1 4.11Å; I1067-F1138 HydrophobicContact CG1-CE1 3.87Å; I1067-I1139 HydrophobicContact CD1-CG1 4.03Å; I1067-I1139 HydrophobicContact CG2-CD1 4.19Å; I1067-I1142 HydrophobicContact CD1-CD1 3.91Å; I1067-I1162 HydrophobicContact CD1-CD1 4.26Å; I1067-L1185 HydrophobicContact CG2-CD1 4.09Å; I1067-L1185 HydrophobicContact CG2-CD2 3.37Å; I1067-L1185 HydrophobicContact CG2-CG 4.4Å |
| 1068 | L | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -54.9 | -41.8 | 177.7 | 178.8 | 60.3 | 0 | 0 | 0 | 111.5 | T8 T1064 N1065 L1066 S1072 L1166 F1167 K1170 I1178 A1181 A1182 L1185 | T8-L1068 HydrophobicContact CG2-CD2 3.78Å; T8-L1068 HydrophobicContact CG2-CG 4.39Å; T1064-L1068 VanDerWaalsContact O-CB 3.25Å; T1064-L1068 WeakPolarHBondContact O-CB 3.39Å; T1064-L1068 PolarHBondContact O-N 2.95Å; T1064-L1068 VanDerWaalsContact O-N 3.08Å; N1065-L1068 PolarHBondContact O-N 3.48Å; L1066-L1068 PolarHBondContact O-N 3.34Å; L1068-S1072 VanDerWaalsContact O-CB 3.24Å; L1068-S1072 WeakPolarHBondContact O-CB 3.34Å; L1068-S1072 PolarHBondContact O-N 3.22Å; L1068-S1072 PolarHBondContact O-OG 2.59Å; L1068-L1166 HydrophobicContact CD2-CD2 3.95Å; L1068-F1167 HydrophobicContact CB-CE1 4.21Å; L1068-F1167 HydrophobicContact CD1-CD1 4.48Å; L1068-K1170 HydrophobicContact CD2-CG 4.14Å; L1068-I1178 HydrophobicContact CD1-CG2 4.47Å; L1068-A1181 HydrophobicContact CD1-CB 4.09Å; L1068-A1182 HydrophobicContact CD1-CB 3.9Å; L1068-L1185 HydrophobicContact CB-CD1 4.29Å; L1068-L1185 HydrophobicContact CD1-CD1 4.04Å |
| 1069 | S | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.9 | -43 | -177.9 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | I10 N1065 L1066 I1067 S1072 L1073 | I10-S1069 WeakPolarHBondContact CD1-OG 3.38Å; N1065-S1069 WeakPolarHBondContact O-CB 3.37Å; N1065-S1069 PolarHBondContact O-N 3.16Å; N1065-S1069 PolarHBondContact O-OG 2.73Å; L1066-S1069 PolarHBondContact O-N 2.7Å; L1066-S1069 VanDerWaalsContact O-N 3.16Å; I1067-S1069 PolarHBondContact O-N 2.84Å; S1069-S1072 PolarHBondContact O-N 3.48Å; S1069-L1073 WeakPolarHBondContact O-CG 3.38Å; S1069-L1073 PolarHBondContact O-N 3.41Å |
| 1070 | G | 90.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1066 I1067 L1073 T1074 | L1066-G1070 PolarHBondContact O-N 2.87Å; I1067-G1070 PolarHBondContact O-N 2.86Å; G1070-L1073 PolarHBondContact O-N 3.21Å; G1070-T1074 PolarHBondContact O-N 3.09Å; G1070-T1074 PolarHBondContact O-OG1 3.24Å |
| 1071 | V | 92.9 | Very high | 87.4 | Confident | 8 Ų | 8 | 12.2 Ų | 12.2 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71.8 | -34.8 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | I1067 L1073 T1074 E1075 L1134 L1135 A1181 L1185 | I1067-V1071 HydrophobicContact CG2-CG2 4.37Å; I1067-V1071 WeakPolarHBondContact O-CG2 3.21Å; I1067-V1071 PolarHBondContact O-N 2.9Å; V1071-L1073 PolarHBondContact O-N 3.03Å; V1071-T1074 WeakPolarHBondContact O-CB 3.49Å; V1071-T1074 PolarHBondContact O-N 3.46Å; V1071-E1075 PolarHBondContact O-N 3.16Å; V1071-L1134 HydrophobicContact CG2-CB 4.15Å; V1071-L1134 HydrophobicContact CG2-CD1 4.16Å; V1071-L1135 HydrophobicContact CG1-CD1 4.42Å; V1071-L1135 HydrophobicContact CG2-CG 4.26Å; V1071-A1181 HydrophobicContact CB-CB 3.95Å; V1071-A1181 HydrophobicContact CG1-CB 3.69Å; V1071-L1185 HydrophobicContact CB-CD1 4.15Å; V1071-L1185 HydrophobicContact CG2-CD1 4.23Å; V1071-L1185 HydrophobicContact CG2-CD2 4.12Å; V1071-L1185 HydrophobicContact CG2-CG 4.31Å |
| 1072 | S | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | L1068 S1069 L1076 P1177 I1178 A1181 | L1068-S1072 VanDerWaalsContact O-CB 3.24Å; L1068-S1072 WeakPolarHBondContact O-CB 3.34Å; L1068-S1072 PolarHBondContact O-N 3.22Å; L1068-S1072 PolarHBondContact O-OG 2.59Å; S1069-S1072 PolarHBondContact O-N 3.48Å; S1072-L1076 PolarHBondContact O-N 3.41Å; S1072-P1177 WeakPolarHBondContact O-CB 3.15Å; S1072-I1178 WeakPolarHBondContact OG-CA 3.26Å; S1072-A1181 WeakPolarHBondContact OG-CB 3.39Å |
| 1073 | L | 91 | Very high | 86.5 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.9 | -36.7 | 174.9 | -70.3 | 172.1 | 0 | 0 | 0 | 111.5 | L910 L965 I968 I972 S1069 G1070 V1071 L1076 M1077 W1127 | L910-L1073 HydrophobicContact CD2-CD2 4.29Å; L965-L1073 HydrophobicContact CD2-CD2 4.01Å; I968-L1073 HydrophobicContact CG2-CD1 3.71Å; I972-L1073 HydrophobicContact CD1-CD1 4.39Å; S1069-L1073 WeakPolarHBondContact O-CG 3.38Å; S1069-L1073 PolarHBondContact O-N 3.41Å; G1070-L1073 PolarHBondContact O-N 3.21Å; V1071-L1073 PolarHBondContact O-N 3.03Å; L1073-L1076 PolarHBondContact O-N 2.86Å; L1073-M1077 WeakPolarHBondContact O-CB 3.34Å; L1073-M1077 VanDerWaalsContact O-CG 3.24Å; L1073-M1077 WeakPolarHBondContact O-CG 3.38Å; L1073-M1077 PolarHBondContact O-N 2.8Å; L1073-W1127 HydrophobicContact CB-CH2 4.16Å; L1073-W1127 HydrophobicContact CB-CZ3 3.95Å |
| 1074 | T | 91.3 | Very high | 86.3 | Confident | 10 Ų | 10 | 20 Ų | 20 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | G1070 V1071 L1076 M1077 T1078 W1127 | G1070-T1074 PolarHBondContact O-N 3.09Å; G1070-T1074 PolarHBondContact O-OG1 3.24Å; V1071-T1074 WeakPolarHBondContact O-CB 3.49Å; V1071-T1074 PolarHBondContact O-N 3.46Å; T1074-L1076 PolarHBondContact O-N 3.36Å; T1074-M1077 PolarHBondContact O-N 2.9Å; T1074-T1078 HydrophobicContact CG2-CG2 4.48Å; T1074-T1078 WeakPolarHBondContact O-CG2 3.48Å; T1074-T1078 PolarHBondContact O-N 2.94Å; T1074-T1078 PolarHBondContact O-OG1 2.8Å; T1074-W1127 HydrophobicContact CG2-CB 4.47Å; T1074-W1127 WeakPolarHBondContact CG2-O 3.2Å |
| 1075 | E | 90.5 | Very high | 85.8 | Confident | 63 Ų | 63 | 20.1 Ų | 20.1 | 29% | 0.294 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 176 | -179.2 | 66.2 | -160.4 | 0 | 0 | 111.5 | V1071 T1078 S1079 P1177 Y1180 | V1071-E1075 PolarHBondContact O-N 3.16Å; E1075-T1078 PolarHBondContact O-OG1 3.23Å; E1075-T1078 VanDerWaalsContact O-OG1 3.08Å; E1075-S1079 WeakPolarHBondContact O-CB 3.38Å; E1075-S1079 PolarHBondContact O-N 3Å; E1075-S1079 PolarHBondContact O-OG 3.44Å; E1075-P1177 HydrophobicContact CB-CB 4.08Å; E1075-P1177 HydrophobicContact CG-CB 3.96Å; E1075-Y1180 HydrophobicContact CG-CD2 4.16Å; E1075-Y1180 VanDerWaalsContact OE1-CD2 3.29Å; E1075-Y1180 WeakPolarHBondContact OE1-CD2 3.44Å |
| 1076 | L | 89.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.5 | -57.1 | 171.8 | 169.7 | 62.9 | 0 | 0 | 0 | 110.8 | I911 I914 L915 S1072 L1073 T1074 T1078 S1079 L1080 P1177 | I911-L1076 HydrophobicContact CB-CD2 4.27Å; I911-L1076 HydrophobicContact CG1-CD2 3.9Å; I911-L1076 HydrophobicContact CG2-CD1 4.29Å; I911-L1076 HydrophobicContact CG2-CD2 4.32Å; I914-L1076 HydrophobicContact CB-CD2 4.12Å; I914-L1076 HydrophobicContact CD1-CD2 3.84Å; I914-L1076 HydrophobicContact CG2-CD1 4.44Å; I914-L1076 HydrophobicContact CG2-CD2 4.04Å; L915-L1076 HydrophobicContact CD1-CD1 4.4Å; L915-L1076 HydrophobicContact CD2-CD1 3.7Å; L915-L1076 HydrophobicContact CG-CD1 3.78Å; S1072-L1076 PolarHBondContact O-N 3.41Å; L1073-L1076 PolarHBondContact O-N 2.86Å; T1074-L1076 PolarHBondContact O-N 3.36Å; L1076-T1078 VanDerWaalsContact C-N 3.32Å; L1076-T1078 PolarHBondContact O-N 3.06Å; L1076-S1079 WeakPolarHBondContact O-CB 3.42Å; L1076-S1079 PolarHBondContact O-N 3.5Å; L1076-S1079 PolarHBondContact O-OG 3.34Å; L1076-L1080 HydrophobicContact CD1-CD2 3.83Å; L1076-L1080 HydrophobicContact CD1-CG 4.34Å; L1076-L1080 PolarHBondContact O-N 3.3Å; L1076-P1177 HydrophobicContact CB-CB 4.22Å; L1076-P1177 HydrophobicContact CB-CG 4.15Å |
| 1077 | M | 86.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.7 | -31.3 | -170 | -69.4 | -61 | -58.7 | 0 | 0 | 112.9 | L965 L1073 T1074 S1079 L1080 L1085 L1088 W1123 W1127 | L965-M1077 HydrophobicContact CD1-CE 4.35Å; L965-M1077 HydrophobicContact CD1-SD 3.84Å; L1073-M1077 WeakPolarHBondContact O-CB 3.34Å; L1073-M1077 VanDerWaalsContact O-CG 3.24Å; L1073-M1077 WeakPolarHBondContact O-CG 3.38Å; L1073-M1077 PolarHBondContact O-N 2.8Å; T1074-M1077 PolarHBondContact O-N 2.9Å; M1077-S1079 VanDerWaalsContact C-N 3.32Å; M1077-L1080 HydrophobicContact CE-CD1 4.04Å; M1077-L1080 HydrophobicContact SD-CD1 3.59Å; M1077-L1080 VanDerWaalsContact SD-CD1 3.59Å; M1077-L1085 WeakPolarHBondContact O-CD1 3.38Å; M1077-L1088 HydrophobicContact CE-CD1 4.45Å; M1077-W1123 HydrophobicContact CE-CH2 3.26Å; M1077-W1123 HydrophobicContact CE-CZ2 3.55Å; M1077-W1123 HydrophobicContact CE-CZ3 3.88Å; M1077-W1127 HydrophobicContact CB-CD2 3.76Å; M1077-W1127 HydrophobicContact CB-CE3 4.31Å; M1077-W1127 HydrophobicContact CB-CG 3.88Å; M1077-W1127 HydrophobicContact CB-CZ2 4.28Å; M1077-W1127 HydrophobicContact CE-CZ2 4.49Å; M1077-W1127 HydrophobicContact CG-CD2 4Å; M1077-W1127 HydrophobicContact CG-CE3 4.39Å; M1077-W1127 HydrophobicContact CG-CH2 3.98Å; M1077-W1127 HydrophobicContact CG-CZ2 3.58Å; M1077-W1127 HydrophobicContact CG-CZ3 4.38Å |
| 1078 | T | 84.3 | Confident | 83.7 | Confident | 31 Ų | 31 | 24.1 Ų | 24.1 | 19% | 0.19 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.4 | -28.5 | 171.1 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | T1074 E1075 L1076 R1124 L1128 | T1074-T1078 HydrophobicContact CG2-CG2 4.48Å; T1074-T1078 WeakPolarHBondContact O-CG2 3.48Å; T1074-T1078 PolarHBondContact O-N 2.94Å; T1074-T1078 PolarHBondContact O-OG1 2.8Å; E1075-T1078 PolarHBondContact O-OG1 3.23Å; E1075-T1078 VanDerWaalsContact O-OG1 3.08Å; L1076-T1078 VanDerWaalsContact C-N 3.32Å; L1076-T1078 PolarHBondContact O-N 3.06Å; T1078-R1124 PolarHBondContact O-NE 2.85Å; T1078-R1124 PolarHBondContact O-NH2 2.85Å; T1078-L1128 HydrophobicContact CG2-CD2 3.76Å; T1078-L1128 HydrophobicContact CG2-CG 3.85Å |
| 1079 | S | 83.6 | Confident | 82.8 | Confident | 68 Ų | 68 | 24.2 Ų | 24.2 | 48% | 0.476 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -83.1 | -16.1 | -177.6 | 77.4 | 0 | 0 | 0 | 0 | 116.5 | E1075 L1076 M1077 | E1075-S1079 WeakPolarHBondContact O-CB 3.38Å; E1075-S1079 PolarHBondContact O-N 3Å; E1075-S1079 PolarHBondContact O-OG 3.44Å; L1076-S1079 WeakPolarHBondContact O-CB 3.42Å; L1076-S1079 PolarHBondContact O-N 3.5Å; L1076-S1079 PolarHBondContact O-OG 3.34Å; M1077-S1079 VanDerWaalsContact C-N 3.32Å |
| 1080 | L | 82.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -65.7 | 156.4 | -172.6 | -66.1 | 176.8 | 0 | 0 | 0 | 114.9 | I914 L915 N918 L1076 M1077 Y1084 L1085 L1088 R1124 | I914-L1080 HydrophobicContact CG2-CD1 4.04Å; I914-L1080 HydrophobicContact CG2-CD2 4.1Å; L915-L1080 HydrophobicContact CD2-CD2 4.23Å; N918-L1080 HydrophobicContact CB-CD2 3.96Å; L1076-L1080 HydrophobicContact CD1-CD2 3.83Å; L1076-L1080 HydrophobicContact CD1-CG 4.34Å; L1076-L1080 PolarHBondContact O-N 3.3Å; M1077-L1080 HydrophobicContact CE-CD1 4.04Å; M1077-L1080 HydrophobicContact SD-CD1 3.59Å; M1077-L1080 VanDerWaalsContact SD-CD1 3.59Å; L1080-Y1084 HydrophobicContact CD1-CD1 4.08Å; L1080-Y1084 HydrophobicContact CD1-CE1 4.03Å; L1080-Y1084 HydrophobicContact CD2-CD1 4.26Å; L1080-Y1084 HydrophobicContact CD2-CE1 4.3Å; L1080-L1085 HydrophobicContact CB-CD1 4.29Å; L1080-L1088 HydrophobicContact CD1-CD1 4.28Å; L1080-R1124 PolarHBondContact O-NH2 2.86Å |
| 1081 | N | 79 | Confident | 80.6 | Confident | 38 Ų | 38 | 28.4 Ų | 28.4 | 20% | 0.203 | 14% | 0.139 | C | C | . | . | trans | -64.7 | 133.5 | 173.6 | -174.4 | -35 | 0 | 0 | 0 | 110 | N918 S922 N1083 Y1084 L1085 | N918-N1081 VanDerWaalsContact OD1-CB 3.24Å; N918-N1081 WeakPolarHBondContact OD1-CB 3.44Å; N918-N1081 PolarHBondContact OD1-N 2.97Å; S922-N1081 PolarHBondContact OG-ND2 3.38Å; N1081-N1083 PolarHBondContact O-N 3.15Å; N1081-N1083 VanDerWaalsContact O-N 3.13Å; N1081-N1083 PolarHBondContact OD1-N 3.5Å; N1081-N1083 PolarHBondContact OD1-ND2 2.78Å; N1081-N1083 VanDerWaalsContact OD1-ND2 3.09Å; N1081-Y1084 PolarHBondContact O-N 3.43Å; N1081-L1085 WeakPolarHBondContact O-CB 3.17Å; N1081-L1085 PolarHBondContact O-N 3.1Å | ||
| 1082 | W | 73.1 | Confident | 79.3 | Confident | 144 Ų | 144 | 28.4 Ų | 28.4 | 55% | 0.545 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -56 | -30.9 | -177.7 | 68.1 | -90.7 | 0 | 0 | 0 | 113.9 | L1086 L1120 | W1082-L1086 HydrophobicContact CE3-CD1 3.83Å; W1082-L1086 HydrophobicContact CZ3-CD1 3.88Å; W1082-L1086 WeakPolarHBondContact O-CB 3.43Å; W1082-L1086 PolarHBondContact O-N 3.26Å; W1082-L1120 HydrophobicContact CB-CD1 4.29Å; W1082-L1120 HydrophobicContact CE3-CD1 4.34Å |
| 1083 | N | 71.9 | Confident | 77.9 | Confident | 38 Ų | 38 | 33.3 Ų | 33.3 | 20% | 0.203 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.6 | -70.5 | -82.7 | 0 | 0 | 0 | 112.9 | V921 I925 N1081 R1087 | V921-N1083 HydrophobicContact CG1-CB 4.04Å; I925-N1083 HydrophobicContact CD1-CB 3.61Å; I925-N1083 WeakPolarHBondContact CD1-OD1 3.37Å; N1081-N1083 PolarHBondContact O-N 3.15Å; N1081-N1083 VanDerWaalsContact O-N 3.13Å; N1081-N1083 PolarHBondContact OD1-N 3.5Å; N1081-N1083 PolarHBondContact OD1-ND2 2.78Å; N1081-N1083 VanDerWaalsContact OD1-ND2 3.09Å; N1083-R1087 PolarHBondContact O-N 3.16Å; N1083-R1087 VanDerWaalsContact O-N 3.16Å |
| 1084 | Y | 78.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.7 | -33.5 | 179.4 | 177 | -114.6 | 0 | 0 | 0 | 111 | I914 R917 N918 V921 Q961 L1080 N1081 R1087 L1088 | I914-Y1084 HydrophobicContact CG2-CE1 3.78Å; R917-Y1084 HydrophobicContact CB-CE2 4.26Å; N918-Y1084 HydrophobicContact CB-CD1 3.54Å; N918-Y1084 HydrophobicContact CB-CE1 3.82Å; N918-Y1084 HydrophobicContact CB-CG 4.16Å; V921-Y1084 HydrophobicContact CG2-CD2 3.96Å; Q961-Y1084 PolarHBondContact OE1-OH 2.84Å; L1080-Y1084 HydrophobicContact CD1-CD1 4.08Å; L1080-Y1084 HydrophobicContact CD1-CE1 4.03Å; L1080-Y1084 HydrophobicContact CD2-CD1 4.26Å; L1080-Y1084 HydrophobicContact CD2-CE1 4.3Å; N1081-Y1084 PolarHBondContact O-N 3.43Å; Y1084-R1087 WeakPolarHBondContact O-CB 3.32Å; Y1084-R1087 PolarHBondContact O-N 2.93Å; Y1084-L1088 HydrophobicContact CD1-CD1 4.13Å; Y1084-L1088 HydrophobicContact CE1-CD1 3.6Å; Y1084-L1088 HydrophobicContact CE1-CG 4.29Å; Y1084-L1088 HydrophobicContact CE2-CD1 4.35Å; Y1084-L1088 HydrophobicContact CE2-CD2 4.41Å; Y1084-L1088 HydrophobicContact CE2-CG 4.17Å; Y1084-L1088 PolarHBondContact O-N 2.77Å |
| 1085 | L | 76.5 | Confident | 73.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 171.8 | -161.1 | 150.4 | 0 | 0 | 0 | 111.8 | M1077 L1080 N1081 S1089 L1120 W1123 R1124 | M1077-L1085 WeakPolarHBondContact O-CD1 3.38Å; L1080-L1085 HydrophobicContact CB-CD1 4.29Å; N1081-L1085 WeakPolarHBondContact O-CB 3.17Å; N1081-L1085 PolarHBondContact O-N 3.1Å; L1085-S1089 WeakPolarHBondContact O-CB 3.5Å; L1085-S1089 PolarHBondContact O-N 3.18Å; L1085-L1120 HydrophobicContact CB-CD2 4.3Å; L1085-L1120 HydrophobicContact CD2-CD2 3.43Å; L1085-L1120 VanDerWaalsContact CD2-CD2 3.43Å; L1085-L1120 HydrophobicContact CG-CD2 4.46Å; L1085-W1123 HydrophobicContact CD2-CD2 4.34Å; L1085-W1123 HydrophobicContact CD2-CE3 3.43Å; L1085-W1123 VanDerWaalsContact CD2-CE3 3.43Å; L1085-W1123 HydrophobicContact CD2-CZ3 4Å; L1085-W1123 HydrophobicContact CG-CE3 3.81Å; L1085-W1123 HydrophobicContact CG-CZ3 3.86Å; L1085-W1123 VanDerWaalsContact O-CZ3 3.28Å; L1085-W1123 WeakPolarHBondContact O-CZ3 3.25Å; L1085-R1124 HydrophobicContact CD1-CG 4.24Å |
| 1086 | L | 72.5 | Confident | 71.2 | Confident | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -51.7 | 165.6 | -89.3 | 170.8 | 0 | 0 | 0 | 110.8 | W1082 L1088 S1089 H1090 N1116 L1120 | W1082-L1086 HydrophobicContact CE3-CD1 3.83Å; W1082-L1086 HydrophobicContact CZ3-CD1 3.88Å; W1082-L1086 WeakPolarHBondContact O-CB 3.43Å; W1082-L1086 PolarHBondContact O-N 3.26Å; L1086-L1088 PolarHBondContact O-N 3.23Å; L1086-S1089 WeakPolarHBondContact O-CA 3.34Å; L1086-S1089 WeakPolarHBondContact O-CB 3.47Å; L1086-S1089 PolarHBondContact O-N 3.42Å; L1086-S1089 PolarHBondContact O-OG 2.74Å; L1086-H1090 PolarHBondContact O-CD2 2.86Å; L1086-H1090 VanDerWaalsContact O-CD2 3.22Å; L1086-H1090 PolarHBondContact O-N 3.47Å; L1086-N1116 HydrophobicContact CD1-CB 4.4Å; L1086-N1116 HydrophobicContact CD2-CB 4.15Å; L1086-L1120 HydrophobicContact CD1-CD1 4.15Å; L1086-L1120 HydrophobicContact CD2-CD1 4.25Å; L1086-L1120 HydrophobicContact CD2-CD2 4.26Å; L1086-L1120 HydrophobicContact CD2-CG 3.88Å; L1086-L1120 HydrophobicContact CG-CD1 3.92Å; L1086-L1120 HydrophobicContact CG-CD2 3.87Å; L1086-L1120 HydrophobicContact CG-CG 3.85Å |
| 1087 | R | 74 | Confident | 68.5 | Low | 78 Ų | 78 | 46.3 Ų | 46.3 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | -176 | -157.9 | -178.1 | -69.3 | -167.4 | -0.1 | 112.5 | D958 N1083 Y1084 T1091 | D958-R1087 WeakPolarHBondContact OD2-CD 3.49Å; D958-R1087 IonicContact OD2-NH1 3.6Å; N1083-R1087 PolarHBondContact O-N 3.16Å; N1083-R1087 VanDerWaalsContact O-N 3.16Å; Y1084-R1087 WeakPolarHBondContact O-CB 3.32Å; Y1084-R1087 PolarHBondContact O-N 2.93Å; R1087-T1091 PolarHBondContact O-N 3.34Å |
| 1088 | L | 75.2 | Confident | 65.8 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -31.8 | 172.6 | -70.1 | 174.8 | 0 | 0 | 0 | 113.1 | D958 A962 M1077 L1080 Y1084 L1086 T1091 I1092 W1123 | D958-L1088 HydrophobicContact CB-CD2 4.36Å; A962-L1088 HydrophobicContact CB-CD2 4.15Å; M1077-L1088 HydrophobicContact CE-CD1 4.45Å; L1080-L1088 HydrophobicContact CD1-CD1 4.28Å; Y1084-L1088 HydrophobicContact CD1-CD1 4.13Å; Y1084-L1088 HydrophobicContact CE1-CD1 3.6Å; Y1084-L1088 HydrophobicContact CE1-CG 4.29Å; Y1084-L1088 HydrophobicContact CE2-CD1 4.35Å; Y1084-L1088 HydrophobicContact CE2-CD2 4.41Å; Y1084-L1088 HydrophobicContact CE2-CG 4.17Å; Y1084-L1088 PolarHBondContact O-N 2.77Å; L1086-L1088 PolarHBondContact O-N 3.23Å; L1088-T1091 WeakPolarHBondContact CA-OG1 3.18Å; L1088-T1091 PolarHBondContact O-OG1 3.37Å; L1088-I1092 VanDerWaalsContact O-CG1 3.28Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.35Å; L1088-I1092 PolarHBondContact O-N 3.07Å; L1088-I1092 VanDerWaalsContact O-N 3.1Å; L1088-W1123 HydrophobicContact CB-CH2 3.73Å; L1088-W1123 HydrophobicContact CB-CZ3 3.78Å |
| 1089 | S | 71.1 | Confident | 63.1 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 176.8 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | L1085 L1086 I1092 F1093 | L1085-S1089 WeakPolarHBondContact O-CB 3.5Å; L1085-S1089 PolarHBondContact O-N 3.18Å; L1086-S1089 WeakPolarHBondContact O-CA 3.34Å; L1086-S1089 WeakPolarHBondContact O-CB 3.47Å; L1086-S1089 PolarHBondContact O-N 3.42Å; L1086-S1089 PolarHBondContact O-OG 2.74Å; S1089-I1092 PolarHBondContact O-N 3.44Å; S1089-F1093 VanDerWaalsContact O-CD2 3.24Å; S1089-F1093 WeakPolarHBondContact O-CD2 3.17Å; S1089-F1093 PolarHBondContact O-N 2.85Å |
| 1090 | H | 68 | Low | 60.5 | Low | 72 Ų | 72 | 57.7 Ų | 57.7 | 33% | 0.333 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 175.6 | -72.8 | -80.8 | 0 | 0 | 0 | 112.2 | L1086 I1092 G1094 D1095 | L1086-H1090 PolarHBondContact O-CD2 2.86Å; L1086-H1090 VanDerWaalsContact O-CD2 3.22Å; L1086-H1090 PolarHBondContact O-N 3.47Å; H1090-I1092 VanDerWaalsContact C-N 3.32Å; H1090-G1094 PolarHBondContact O-N 3.06Å; H1090-D1095 IonicContact CE1-OD2 3.99Å; H1090-D1095 IonicContact CG-OD2 2.77Å; H1090-D1095 IonicContact ND1-OD2 2.93Å; H1090-D1095 PolarHBondContact ND1-OD2 2.63Å |
| 1091 | T | 69.2 | Low | 57.8 | Low | 17 Ų | 17 | 61.8 Ų | 61.8 | 10% | 0.104 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.9 | -26.8 | 174.4 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | F955 D958 V959 A962 R1087 L1088 | F955-T1091 HydrophobicContact CD2-CG2 4.1Å; F955-T1091 HydrophobicContact CE2-CG2 3.61Å; F955-T1091 HydrophobicContact CZ-CG2 4.02Å; D958-T1091 HydrophobicContact CB-CG2 4.41Å; V959-T1091 HydrophobicContact CG2-CG2 3.56Å; A962-T1091 WeakPolarHBondContact CB-OG1 3.14Å; R1087-T1091 PolarHBondContact O-N 3.34Å; L1088-T1091 WeakPolarHBondContact CA-OG1 3.18Å; L1088-T1091 PolarHBondContact O-OG1 3.37Å |
| 1092 | I | 65.8 | Low | 55.6 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76.6 | -52.4 | 173 | -72.1 | 169.8 | 0 | 0 | 0 | 111.5 | A962 N991 L1088 S1089 H1090 W1123 | A962-I1092 HydrophobicContact CB-CD1 4.37Å; A962-I1092 HydrophobicContact CB-CG1 3.84Å; N991-I1092 VanDerWaalsContact CG-O 3.27Å; N991-I1092 PolarHBondContact ND2-O 3.26Å; N991-I1092 PolarHBondContact OD1-O 3.37Å; L1088-I1092 VanDerWaalsContact O-CG1 3.28Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.35Å; L1088-I1092 PolarHBondContact O-N 3.07Å; L1088-I1092 VanDerWaalsContact O-N 3.1Å; S1089-I1092 PolarHBondContact O-N 3.44Å; H1090-I1092 VanDerWaalsContact C-N 3.32Å; I1092-W1123 HydrophobicContact CD1-CH2 3.58Å; I1092-W1123 HydrophobicContact CD1-CZ2 3.3Å |
| 1093 | F | 62.4 | Low | 53.5 | Low | 104 Ų | 104 | 61 Ų | 61 | 46% | 0.456 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -82.7 | -20.9 | -171.3 | -67.5 | -63.5 | 0 | 0 | 0 | 114.4 | L988 S1089 | L988-F1093 HydrophobicContact CD2-CZ 4.29Å; S1089-F1093 VanDerWaalsContact O-CD2 3.24Å; S1089-F1093 WeakPolarHBondContact O-CD2 3.17Å; S1089-F1093 PolarHBondContact O-N 2.85Å |
| 1094 | G | 53.8 | Low | 51.5 | Low | 34 Ų | 34 | 64.6 Ų | 64.6 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 83.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1090 N1096 | H1090-G1094 PolarHBondContact O-N 3.06Å; G1094-N1096 PolarHBondContact O-N 3.1Å |
| 1095 | D | 41.8 | Very low | 49 | Very low | 129 Ų | 129 | 69.6 Ų | 69.6 | 69% | 0.69 | 44% | 0.439 | S | S | * | . | trans | -58.6 | 129.4 | 176.8 | -83.4 | -61.4 | 0 | 0 | 0 | 112.7 | H1090 | H1090-D1095 IonicContact CE1-OD2 3.99Å; H1090-D1095 IonicContact CG-OD2 2.77Å; H1090-D1095 IonicContact ND1-OD2 2.93Å; H1090-D1095 PolarHBondContact ND1-OD2 2.63Å | ||
| 1096 | N | 36.4 | Very low | 46.8 | Very low | 95 Ų | 95 | 72.5 Ų | 72.5 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | trans | -79.7 | 124.7 | -168.3 | -69.8 | -79 | 0 | 0 | 0 | 112.9 | G1094 T1098 | G1094-N1096 PolarHBondContact O-N 3.1Å; N1096-T1098 PolarHBondContact O-N 2.94Å | ||
| 1097 | G | 32 | Very low | 44.8 | Very low | 89 Ų | 89 | 77.2 Ų | 77.2 | 92% | 0.918 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 69.5 | -17.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1098 | T | 28.8 | Very low | 42.8 | Very low | 120 Ų | 120 | 82 Ų | 82 | 74% | 0.736 | 52% | 0.517 | S | S | * | . | trans | -100 | 111.3 | 175.7 | 57 | 0 | 0 | 0 | 0 | 110.4 | N1096 L1100 | N1096-T1098 PolarHBondContact O-N 2.94Å; T1098-L1100 PolarHBondContact O-N 3.48Å | ||
| 1099 | G | 28.1 | Very low | 40.8 | Very low | 75 Ų | 75 | 86.8 Ų | 86.8 | 77% | 0.773 | 55% | 0.549 | S | S | * | . | trans | -63.9 | 98.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1101 | G1099-S1101 PolarHBondContact O-N 3.07Š| ||
| 1100 | L | 28.7 | Very low | 39.2 | Very low | 144 Ų | 144 | 94.7 Ų | 94.7 | 75% | 0.754 | 59% | 0.59 | S | S | * | * | trans | -72.6 | 68.3 | 165.1 | -89.2 | 167.4 | 0 | 0 | 0 | 110.1 | T1098 L1102 | T1098-L1100 PolarHBondContact O-N 3.48Å; L1100-L1102 PolarHBondContact O-N 3.2Å | ||
| 1101 | S | 27.7 | Very low | 37.9 | Very low | 89 Ų | 89 | 95.2 Ų | 95.2 | 62% | 0.622 | 60% | 0.602 | S | S | * | * | trans | -57 | 112.8 | 160.3 | 54.5 | 0 | 0 | 0 | 0 | 107.8 | G1099 S1103 | G1099-S1101 PolarHBondContact O-N 3.07Å; S1101-S1103 PolarHBondContact O-N 3.46Å; S1101-S1103 PolarHBondContact O-OG 3.37Å; S1101-S1103 PolarHBondContact OG-OG 3.06Å | ||
| 1102 | L | 32.9 | Very low | 36.6 | Very low | 102 Ų | 102 | 98.8 Ų | 98.8 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | trans | -75 | 42.5 | 179 | -82.8 | 151.5 | 0 | 0 | 0 | 112.3 | L1100 S1104 | L1100-L1102 PolarHBondContact O-N 3.2Å; L1102-S1104 PolarHBondContact O-N 3.23Å | ||
| 1103 | S | 28.6 | Very low | 35.9 | Very low | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | trans | -74.4 | 81.6 | 174.5 | 50 | 0 | 0 | 0 | 0 | 110.9 | S1101 S1105 | S1101-S1103 PolarHBondContact O-N 3.46Å; S1101-S1103 PolarHBondContact O-OG 3.37Å; S1101-S1103 PolarHBondContact OG-OG 3.06Å; S1103-S1105 VanDerWaalsContact C-N 3.29Å; S1103-S1105 PolarHBondContact O-N 2.78Å; S1103-S1105 PolarHBondContact O-OG 3.11Å | ||
| 1104 | S | 29.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 102.2 Ų | 102.2 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 52.4 | 26.5 | 147.6 | 61 | 0 | 0 | 0 | 0 | 118.6 | L1102 | L1102-S1104 PolarHBondContact O-N 3.23Š|
| 1105 | S | 26.2 | Very low | 35.4 | Very low | 105 Ų | 105 | 105.1 Ų | 105.1 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -152 | 30.9 | -171.7 | 53.9 | 0 | 0 | 0 | 0 | 116.2 | S1103 | S1103-S1105 VanDerWaalsContact C-N 3.29Å; S1103-S1105 PolarHBondContact O-N 2.78Å; S1103-S1105 PolarHBondContact O-OG 3.11Å | ||
| 1106 | S | 29.4 | Very low | 36 | Very low | 62 Ų | 62 | 101.5 Ų | 101.5 | 43% | 0.434 | 64% | 0.636 | S | S | . | * | trans | -126.3 | 40.2 | -173.7 | 57.5 | 0 | 0 | 0 | 0 | 116.4 | K1108 | S1106-K1108 PolarHBondContact O-N 3.38Š| ||
| 1107 | S | 31.9 | Very low | 37.1 | Very low | 119 Ų | 119 | 101.9 Ų | 101.9 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 18.5 | 168.4 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1108 | K | 32.4 | Very low | 38.6 | Very low | 180 Ų | 180 | 101.2 Ų | 101.2 | 78% | 0.783 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -4 | -176.4 | -78.7 | -172.2 | 172.7 | -178 | 0 | 115.5 | S1106 L1110 | S1106-K1108 PolarHBondContact O-N 3.38Å; K1108-L1110 VanDerWaalsContact C-N 3.28Å; K1108-L1110 PolarHBondContact O-N 3.08Å |
| 1109 | C | 32.9 | Very low | 40.1 | Very low | 99 Ų | 99 | 98.3 Ų | 98.3 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 13.6 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1110 | L | 37.4 | Very low | 41.6 | Very low | 168 Ų | 168 | 95.7 Ų | 95.7 | 88% | 0.88 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 3.7 | 176.7 | -76.5 | 166.4 | 0 | 0 | 0 | 113.4 | K1108 | K1108-L1110 VanDerWaalsContact C-N 3.28Å; K1108-L1110 PolarHBondContact O-N 3.08Å |
| 1111 | S | 40.9 | Very low | 43.4 | Very low | 84 Ų | 84 | 91.2 Ų | 91.2 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -77.4 | -32.3 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 114 | S1113 | S1111-S1113 PolarHBondContact O-N 2.82Š|
| 1112 | D | 40.9 | Very low | 45.5 | Very low | 91 Ų | 91 | 91 Ų | 91 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | trans | -90 | 52.6 | -166.6 | -67.4 | 9.1 | 0 | 0 | 0 | 112 | N1114 I1115 | D1112-N1114 PolarHBondContact O-N 3.13Å; D1112-I1115 HydrophobicContact CB-CD1 4.26Å; D1112-I1115 PolarHBondContact O-N 3.44Å | ||
| 1113 | S | 51.1 | Low | 47.5 | Very low | 63 Ų | 63 | 86.3 Ų | 86.3 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -53.5 | -40.6 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | S1111 I1115 N1116 I1117 | S1111-S1113 PolarHBondContact O-N 2.82Å; S1113-I1115 PolarHBondContact O-N 3.35Å; S1113-N1116 PolarHBondContact O-N 3.43Å; S1113-I1117 WeakPolarHBondContact O-CB 3.15Å; S1113-I1117 WeakPolarHBondContact O-CD1 3.38Å; S1113-I1117 VanDerWaalsContact O-CG1 3.23Å; S1113-I1117 WeakPolarHBondContact O-CG1 3.38Å; S1113-I1117 PolarHBondContact O-N 2.98Å |
| 1114 | N | 51.4 | Low | 50 | Low | 121 Ų | 121 | 86.9 Ų | 86.9 | 65% | 0.647 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -38.4 | -176.6 | -68.7 | -20.3 | 0 | 0 | 0 | 113.7 | D1112 T1118 | D1112-N1114 PolarHBondContact O-N 3.13Å; N1114-T1118 WeakPolarHBondContact O-CB 3.44Å; N1114-T1118 PolarHBondContact O-N 3.24Å; N1114-T1118 PolarHBondContact O-OG1 3.32Å |
| 1115 | I | 53.8 | Low | 52.5 | Low | 95 Ų | 95 | 85.3 Ų | 85.3 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -49.1 | -178.8 | -61.9 | 178.6 | 0 | 0 | 0 | 109.5 | D1112 S1113 I1117 T1118 I1119 | D1112-I1115 HydrophobicContact CB-CD1 4.26Å; D1112-I1115 PolarHBondContact O-N 3.44Å; S1113-I1115 PolarHBondContact O-N 3.35Å; I1115-I1117 PolarHBondContact O-N 2.93Å; I1115-T1118 PolarHBondContact O-N 2.7Å; I1115-T1118 VanDerWaalsContact O-N 3.13Å; I1115-I1119 HydrophobicContact CG2-CD1 4Å; I1115-I1119 PolarHBondContact O-N 3.5Å |
| 1116 | N | 54 | Low | 55.1 | Low | 53 Ų | 53 | 82 Ų | 82 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 178.8 | -70.8 | -38.7 | 0 | 0 | 0 | 112.2 | L1086 S1113 T1118 L1120 | L1086-N1116 HydrophobicContact CD1-CB 4.4Å; L1086-N1116 HydrophobicContact CD2-CB 4.15Å; S1113-N1116 PolarHBondContact O-N 3.43Å; N1116-T1118 VanDerWaalsContact C-N 3.33Å; N1116-T1118 PolarHBondContact O-N 2.85Å; N1116-L1120 VanDerWaalsContact O-CB 3.24Å; N1116-L1120 WeakPolarHBondContact O-CB 3.3Å; N1116-L1120 VanDerWaalsContact O-CG 3.25Å; N1116-L1120 WeakPolarHBondContact O-CG 3.37Å; N1116-L1120 PolarHBondContact O-N 3.28Å |
| 1117 | I | 61.2 | Low | 57.8 | Low | 102 Ų | 102 | 79.2 Ų | 79.2 | 52% | 0.523 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.5 | -70.3 | 165.6 | 0 | 0 | 0 | 111.2 | S1113 I1115 S1121 | S1113-I1117 WeakPolarHBondContact O-CB 3.15Å; S1113-I1117 WeakPolarHBondContact O-CD1 3.38Å; S1113-I1117 VanDerWaalsContact O-CG1 3.23Å; S1113-I1117 WeakPolarHBondContact O-CG1 3.38Å; S1113-I1117 PolarHBondContact O-N 2.98Å; I1115-I1117 PolarHBondContact O-N 2.93Å; I1117-S1121 WeakPolarHBondContact O-CB 3.11Å; I1117-S1121 PolarHBondContact O-N 2.98Å; I1117-S1121 PolarHBondContact O-OG 3.5Å |
| 1118 | T | 62.6 | Low | 60.4 | Low | 75 Ų | 75 | 78.3 Ų | 78.3 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.8 | -49.5 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | N1114 I1115 N1116 L1120 S1121 N1122 | N1114-T1118 WeakPolarHBondContact O-CB 3.44Å; N1114-T1118 PolarHBondContact O-N 3.24Å; N1114-T1118 PolarHBondContact O-OG1 3.32Å; I1115-T1118 PolarHBondContact O-N 2.7Å; I1115-T1118 VanDerWaalsContact O-N 3.13Å; N1116-T1118 VanDerWaalsContact C-N 3.33Å; N1116-T1118 PolarHBondContact O-N 2.85Å; T1118-L1120 PolarHBondContact O-N 3.46Å; T1118-S1121 PolarHBondContact O-N 3.39Å; T1118-S1121 PolarHBondContact O-OG 3.05Å; T1118-N1122 PolarHBondContact O-N 3.19Å |
| 1119 | I | 60 | Low | 63.1 | Low | 60 Ų | 60 | 73.8 Ų | 73.8 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 178.1 | -63 | 169.7 | 0 | 0 | 0 | 111 | I1115 S1121 N1122 W1123 | I1115-I1119 HydrophobicContact CG2-CD1 4Å; I1115-I1119 PolarHBondContact O-N 3.5Å; I1119-S1121 VanDerWaalsContact C-N 3.35Å; I1119-S1121 PolarHBondContact O-N 3.11Å; I1119-N1122 PolarHBondContact O-N 3.18Å; I1119-W1123 PolarHBondContact O-N 3.32Å |
| 1120 | L | 59.6 | Low | 65.7 | Low | 20 Ų | 20 | 69.3 Ų | 69.3 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57 | -44.6 | 174.1 | -83.7 | 172.2 | 0 | 0 | 0 | 113 | W1082 L1085 L1086 N1116 T1118 W1123 R1124 | W1082-L1120 HydrophobicContact CB-CD1 4.29Å; W1082-L1120 HydrophobicContact CE3-CD1 4.34Å; L1085-L1120 HydrophobicContact CB-CD2 4.3Å; L1085-L1120 HydrophobicContact CD2-CD2 3.43Å; L1085-L1120 VanDerWaalsContact CD2-CD2 3.43Å; L1085-L1120 HydrophobicContact CG-CD2 4.46Å; L1086-L1120 HydrophobicContact CD1-CD1 4.15Å; L1086-L1120 HydrophobicContact CD2-CD1 4.25Å; L1086-L1120 HydrophobicContact CD2-CD2 4.26Å; L1086-L1120 HydrophobicContact CD2-CG 3.88Å; L1086-L1120 HydrophobicContact CG-CD1 3.92Å; L1086-L1120 HydrophobicContact CG-CD2 3.87Å; L1086-L1120 HydrophobicContact CG-CG 3.85Å; N1116-L1120 VanDerWaalsContact O-CB 3.24Å; N1116-L1120 WeakPolarHBondContact O-CB 3.3Å; N1116-L1120 VanDerWaalsContact O-CG 3.25Å; N1116-L1120 WeakPolarHBondContact O-CG 3.37Å; N1116-L1120 PolarHBondContact O-N 3.28Å; T1118-L1120 PolarHBondContact O-N 3.46Å; L1120-W1123 PolarHBondContact O-N 2.96Å; L1120-R1124 PolarHBondContact O-N 2.6Å; L1120-R1124 VanDerWaalsContact O-N 3.16Å |
| 1121 | S | 66.8 | Low | 68 | Low | 49 Ų | 49 | 61.5 Ų | 61.5 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | -179.4 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | I1117 T1118 I1119 W1123 R1124 I1125 | I1117-S1121 WeakPolarHBondContact O-CB 3.11Å; I1117-S1121 PolarHBondContact O-N 2.98Å; I1117-S1121 PolarHBondContact O-OG 3.5Å; T1118-S1121 PolarHBondContact O-N 3.39Å; T1118-S1121 PolarHBondContact O-OG 3.05Å; I1119-S1121 VanDerWaalsContact C-N 3.35Å; I1119-S1121 PolarHBondContact O-N 3.11Å; S1121-W1123 PolarHBondContact O-N 3.35Å; S1121-R1124 PolarHBondContact O-N 3.06Å; S1121-I1125 WeakPolarHBondContact O-CB 3.49Å; S1121-I1125 WeakPolarHBondContact O-CD1 3.13Å; S1121-I1125 WeakPolarHBondContact O-CG1 3.29Å; S1121-I1125 PolarHBondContact O-N 3.34Å |
| 1122 | N | 72.9 | Confident | 70.3 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 177.3 | -70.3 | -19.6 | 0 | 0 | 0 | 111.7 | T1118 I1119 I1125 I1126 | T1118-N1122 PolarHBondContact O-N 3.19Å; I1119-N1122 PolarHBondContact O-N 3.18Å; N1122-I1125 PolarHBondContact O-N 3.13Å; N1122-I1126 VanDerWaalsContact O-CG1 3.32Å; N1122-I1126 WeakPolarHBondContact O-CG1 3.49Å; N1122-I1126 PolarHBondContact O-N 2.86Å |
| 1123 | W | 74.2 | Confident | 72.6 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.1 | -36.7 | -177 | -162 | 30.8 | 0 | 0 | 0 | 113.1 | M1077 L1085 L1088 I1092 I1119 L1120 S1121 I1126 W1127 | M1077-W1123 HydrophobicContact CE-CH2 3.26Å; M1077-W1123 HydrophobicContact CE-CZ2 3.55Å; M1077-W1123 HydrophobicContact CE-CZ3 3.88Å; L1085-W1123 HydrophobicContact CD2-CD2 4.34Å; L1085-W1123 HydrophobicContact CD2-CE3 3.43Å; L1085-W1123 VanDerWaalsContact CD2-CE3 3.43Å; L1085-W1123 HydrophobicContact CD2-CZ3 4Å; L1085-W1123 HydrophobicContact CG-CE3 3.81Å; L1085-W1123 HydrophobicContact CG-CZ3 3.86Å; L1085-W1123 VanDerWaalsContact O-CZ3 3.28Å; L1085-W1123 WeakPolarHBondContact O-CZ3 3.25Å; L1088-W1123 HydrophobicContact CB-CH2 3.73Å; L1088-W1123 HydrophobicContact CB-CZ3 3.78Å; I1092-W1123 HydrophobicContact CD1-CH2 3.58Å; I1092-W1123 HydrophobicContact CD1-CZ2 3.3Å; I1119-W1123 PolarHBondContact O-N 3.32Å; L1120-W1123 PolarHBondContact O-N 2.96Å; S1121-W1123 PolarHBondContact O-N 3.35Å; W1123-I1126 PolarHBondContact O-N 2.95Å; W1123-W1127 AromaticContact CD1-CD1 3.89Å; W1123-W1127 AromaticContact CD1-NE1 3.99Å; W1123-W1127 AromaticContact CE2-NE1 3.47Å; W1123-W1127 AromaticContact CZ2-NE1 3.68Å; W1123-W1127 AromaticContact NE1-CD1 3.64Å; W1123-W1127 AromaticContact NE1-NE1 3.26Å; W1123-W1127 PolarHBondContact O-N 3.06Å |
| 1124 | R | 80 | Confident | 74.3 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 170 | -91.2 | -172.9 | 161 | 107.7 | 0.9 | 112.3 | T1078 L1080 L1085 L1120 S1121 W1127 L1128 | T1078-R1124 PolarHBondContact O-NE 2.85Å; T1078-R1124 PolarHBondContact O-NH2 2.85Å; L1080-R1124 PolarHBondContact O-NH2 2.86Å; L1085-R1124 HydrophobicContact CD1-CG 4.24Å; L1120-R1124 PolarHBondContact O-N 2.6Å; L1120-R1124 VanDerWaalsContact O-N 3.16Å; S1121-R1124 PolarHBondContact O-N 3.06Å; R1124-W1127 PolarHBondContact O-N 2.95Å; R1124-L1128 WeakPolarHBondContact O-CG 3.35Å; R1124-L1128 PolarHBondContact O-N 3.06Å |
| 1125 | I | 82.4 | Confident | 76 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 42% | 0.415 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.7 | -72.4 | 163.9 | 0 | 0 | 0 | 111 | S1121 N1122 W1127 L1128 Q1129 | S1121-I1125 WeakPolarHBondContact O-CB 3.49Å; S1121-I1125 WeakPolarHBondContact O-CD1 3.13Å; S1121-I1125 WeakPolarHBondContact O-CG1 3.29Å; S1121-I1125 PolarHBondContact O-N 3.34Å; N1122-I1125 PolarHBondContact O-N 3.13Å; I1125-W1127 VanDerWaalsContact C-N 3.35Å; I1125-W1127 PolarHBondContact O-N 3.43Å; I1125-L1128 PolarHBondContact O-N 2.96Å; I1125-Q1129 HydrophobicContact CG2-CG 4.26Å; I1125-Q1129 WeakPolarHBondContact O-CG 3.48Å; I1125-Q1129 PolarHBondContact O-N 3.45Å |
| 1126 | I | 81.8 | Confident | 77.2 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 177.8 | -72.4 | 163.8 | 0 | 0 | 0 | 111.7 | I984 L988 N1122 W1123 Q1129 F1130 | I984-I1126 HydrophobicContact CG2-CB 4.33Å; I984-I1126 HydrophobicContact CG2-CG1 4.08Å; I984-I1126 HydrophobicContact CG2-CG2 3.54Å; L988-I1126 HydrophobicContact CD1-CG2 3.66Å; L988-I1126 HydrophobicContact CD2-CG2 4.27Å; L988-I1126 HydrophobicContact CG-CG2 4.09Å; N1122-I1126 VanDerWaalsContact O-CG1 3.32Å; N1122-I1126 WeakPolarHBondContact O-CG1 3.49Å; N1122-I1126 PolarHBondContact O-N 2.86Å; W1123-I1126 PolarHBondContact O-N 2.95Å; I1126-Q1129 PolarHBondContact O-N 3.14Å; I1126-F1130 PolarHBondContact O-N 2.83Å |
| 1127 | W | 84.6 | Confident | 78.4 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.4 | -83 | 104.7 | 0 | 0 | 0 | 112.2 | I969 L1073 T1074 M1077 W1123 R1124 I1125 Q1129 F1130 G1131 | I969-W1127 HydrophobicContact CD1-CH2 3.33Å; I969-W1127 HydrophobicContact CD1-CZ2 3.43Å; I969-W1127 VanDerWaalsContact CD1-CZ2 3.43Å; I969-W1127 HydrophobicContact CD1-CZ3 4.33Å; I969-W1127 HydrophobicContact CG1-CH2 3.62Å; I969-W1127 HydrophobicContact CG1-CZ2 4.25Å; I969-W1127 HydrophobicContact CG1-CZ3 4.34Å; L1073-W1127 HydrophobicContact CB-CH2 4.16Å; L1073-W1127 HydrophobicContact CB-CZ3 3.95Å; T1074-W1127 HydrophobicContact CG2-CB 4.47Å; T1074-W1127 WeakPolarHBondContact CG2-O 3.2Å; M1077-W1127 HydrophobicContact CB-CD2 3.76Å; M1077-W1127 HydrophobicContact CB-CE3 4.31Å; M1077-W1127 HydrophobicContact CB-CG 3.88Å; M1077-W1127 HydrophobicContact CB-CZ2 4.28Å; M1077-W1127 HydrophobicContact CE-CZ2 4.49Å; M1077-W1127 HydrophobicContact CG-CD2 4Å; M1077-W1127 HydrophobicContact CG-CE3 4.39Å; M1077-W1127 HydrophobicContact CG-CH2 3.98Å; M1077-W1127 HydrophobicContact CG-CZ2 3.58Å; M1077-W1127 HydrophobicContact CG-CZ3 4.38Å; W1123-W1127 AromaticContact CD1-CD1 3.89Å; W1123-W1127 AromaticContact CD1-NE1 3.99Å; W1123-W1127 AromaticContact CE2-NE1 3.47Å; W1123-W1127 AromaticContact CZ2-NE1 3.68Å; W1123-W1127 AromaticContact NE1-CD1 3.64Å; W1123-W1127 AromaticContact NE1-NE1 3.26Å; W1123-W1127 PolarHBondContact O-N 3.06Å; R1124-W1127 PolarHBondContact O-N 2.95Å; I1125-W1127 VanDerWaalsContact C-N 3.35Å; I1125-W1127 PolarHBondContact O-N 3.43Å; W1127-Q1129 VanDerWaalsContact C-N 3.34Å; W1127-Q1129 PolarHBondContact O-N 2.84Å; W1127-F1130 HydrophobicContact CE3-CD1 4.16Å; W1127-F1130 HydrophobicContact CZ3-CD1 4.15Å; W1127-F1130 HydrophobicContact CZ3-CE1 4.37Å; W1127-F1130 PolarHBondContact O-N 2.95Å; W1127-G1131 PolarHBondContact O-N 2.82Å |
| 1128 | L | 88.2 | Confident | 79.2 | Confident | 99 Ų | 99 | 47.1 Ų | 47.1 | 52% | 0.518 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 174.9 | -72.9 | 166.3 | 0 | 0 | 0 | 112.4 | T1078 R1124 I1125 G1131 A1132 | T1078-L1128 HydrophobicContact CG2-CD2 3.76Å; T1078-L1128 HydrophobicContact CG2-CG 3.85Å; R1124-L1128 WeakPolarHBondContact O-CG 3.35Å; R1124-L1128 PolarHBondContact O-N 3.06Å; I1125-L1128 PolarHBondContact O-N 2.96Å; L1128-G1131 PolarHBondContact O-N 3.33Å; L1128-A1132 WeakPolarHBondContact O-CB 3.44Å; L1128-A1132 PolarHBondContact O-N 2.8Å |
| 1129 | Q | 88.2 | Confident | 80 | Confident | 86 Ų | 86 | 43.5 Ų | 43.5 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.4 | -74.4 | 172.1 | -38.4 | 0 | 0 | 111.6 | M981 I1125 I1126 W1127 G1131 A1132 F1133 | M981-Q1129 HydrophobicContact CE-CB 4.5Å; M981-Q1129 HydrophobicContact SD-CB 4.22Å; I1125-Q1129 HydrophobicContact CG2-CG 4.26Å; I1125-Q1129 WeakPolarHBondContact O-CG 3.48Å; I1125-Q1129 PolarHBondContact O-N 3.45Å; I1126-Q1129 PolarHBondContact O-N 3.14Å; W1127-Q1129 VanDerWaalsContact C-N 3.34Å; W1127-Q1129 PolarHBondContact O-N 2.84Å; Q1129-G1131 PolarHBondContact O-N 2.95Å; Q1129-A1132 PolarHBondContact O-N 3.24Å; Q1129-F1133 VanDerWaalsContact O-CB 3.31Å; Q1129-F1133 WeakPolarHBondContact O-CB 3.47Å; Q1129-F1133 PolarHBondContact O-N 2.82Å |
| 1130 | F | 87.5 | Confident | 80.6 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.5 | 178.3 | -115.3 | 0 | 0 | 0 | 112.4 | H973 M981 I985 I1126 W1127 L1134 | H973-F1130 HydrophobicContact CB-CE2 4.13Å; H973-F1130 AromaticContact ND1-CD2 3.95Å; H973-F1130 AromaticContact ND1-CE2 3.53Å; M981-F1130 HydrophobicContact CE-CB 3.98Å; M981-F1130 HydrophobicContact CE-CD2 4.32Å; I985-F1130 HydrophobicContact CD1-CB 4.43Å; I985-F1130 HydrophobicContact CD1-CD2 3.85Å; I985-F1130 HydrophobicContact CD1-CE2 4.37Å; I985-F1130 HydrophobicContact CD1-CG 4.22Å; I985-F1130 HydrophobicContact CG1-CD2 4.33Å; I1126-F1130 PolarHBondContact O-N 2.83Å; W1127-F1130 HydrophobicContact CE3-CD1 4.16Å; W1127-F1130 HydrophobicContact CZ3-CD1 4.15Å; W1127-F1130 HydrophobicContact CZ3-CE1 4.37Å; W1127-F1130 PolarHBondContact O-N 2.95Å; F1130-L1134 HydrophobicContact CD1-CD1 4.3Å; F1130-L1134 HydrophobicContact CE1-CD1 3.79Å; F1130-L1134 HydrophobicContact CE2-CD1 4.08Å; F1130-L1134 HydrophobicContact CE2-CG 4.26Å; F1130-L1134 HydrophobicContact CZ-CD1 3.68Å; F1130-L1134 HydrophobicContact CZ-CG 4.36Å; F1130-L1134 WeakPolarHBondContact O-CG 3.38Å; F1130-L1134 PolarHBondContact O-N 2.96Å |
| 1131 | G | 85.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1127 L1128 Q1129 L1134 L1135 | W1127-G1131 PolarHBondContact O-N 2.82Å; L1128-G1131 PolarHBondContact O-N 3.33Å; Q1129-G1131 PolarHBondContact O-N 2.95Å; G1131-L1134 PolarHBondContact O-N 3.09Å; G1131-L1135 VanDerWaalsContact O-CB 3.29Å; G1131-L1135 WeakPolarHBondContact O-CB 3.34Å; G1131-L1135 WeakPolarHBondContact O-CG 3.26Å; G1131-L1135 PolarHBondContact O-N 2.9Å |
| 1132 | A | 89.2 | Confident | 81.4 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 35% | 0.347 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1128 Q1129 L1134 L1135 E1136 | L1128-A1132 WeakPolarHBondContact O-CB 3.44Å; L1128-A1132 PolarHBondContact O-N 2.8Å; Q1129-A1132 PolarHBondContact O-N 3.24Å; A1132-L1134 VanDerWaalsContact C-N 3.33Å; A1132-L1134 PolarHBondContact O-N 2.93Å; A1132-L1135 PolarHBondContact O-N 3.05Å; A1132-L1135 VanDerWaalsContact O-N 3.12Å; A1132-E1136 PolarHBondContact O-N 2.81Å |
| 1133 | F | 89.7 | Confident | 81.3 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -56.5 | -44.1 | 174.1 | 163.9 | -107.3 | 0 | 0 | 0 | 112.3 | H973 P974 D978 M981 Q1129 H1137 F1138 | H973-F1133 AromaticContact CE1-CE1 3.61Å; H973-F1133 AromaticContact ND1-CE1 3.94Å; P974-F1133 HydrophobicContact CG-CE1 3.56Å; P974-F1133 HydrophobicContact CG-CZ 3.84Å; D978-F1133 HydrophobicContact CB-CD2 4.08Å; D978-F1133 HydrophobicContact CB-CE2 3.46Å; D978-F1133 VanDerWaalsContact CB-CE2 3.46Å; D978-F1133 HydrophobicContact CB-CZ 4.13Å; M981-F1133 HydrophobicContact CB-CD1 4.41Å; M981-F1133 HydrophobicContact CB-CD2 4.49Å; M981-F1133 HydrophobicContact CB-CG 4.4Å; M981-F1133 HydrophobicContact CE-CB 4.42Å; M981-F1133 HydrophobicContact CG-CB 3.99Å; M981-F1133 HydrophobicContact CG-CD1 4.2Å; M981-F1133 HydrophobicContact CG-CD2 3.9Å; M981-F1133 HydrophobicContact CG-CE2 4.46Å; M981-F1133 HydrophobicContact CG-CG 3.76Å; M981-F1133 HydrophobicContact SD-CB 4.27Å; Q1129-F1133 VanDerWaalsContact O-CB 3.31Å; Q1129-F1133 WeakPolarHBondContact O-CB 3.47Å; Q1129-F1133 PolarHBondContact O-N 2.82Å; F1133-H1137 HydrophobicContact CD2-CB 4.03Å; F1133-H1137 AromaticContact CE2-CD2 3.68Å; F1133-H1137 PolarHBondContact O-N 2.8Å; F1133-F1138 PolarHBondContact O-N 3.45Å |
| 1134 | L | 86.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -66.5 | -40.6 | 173.9 | -72 | 179 | 0 | 0 | 0 | 112.7 | P974 V1071 F1130 G1131 A1132 F1138 I1139 | P974-L1134 HydrophobicContact CG-CD2 4.17Å; V1071-L1134 HydrophobicContact CG2-CB 4.15Å; V1071-L1134 HydrophobicContact CG2-CD1 4.16Å; F1130-L1134 HydrophobicContact CD1-CD1 4.3Å; F1130-L1134 HydrophobicContact CE1-CD1 3.79Å; F1130-L1134 HydrophobicContact CE2-CD1 4.08Å; F1130-L1134 HydrophobicContact CE2-CG 4.26Å; F1130-L1134 HydrophobicContact CZ-CD1 3.68Å; F1130-L1134 HydrophobicContact CZ-CG 4.36Å; F1130-L1134 WeakPolarHBondContact O-CG 3.38Å; F1130-L1134 PolarHBondContact O-N 2.96Å; G1131-L1134 PolarHBondContact O-N 3.09Å; A1132-L1134 VanDerWaalsContact C-N 3.33Å; A1132-L1134 PolarHBondContact O-N 2.93Å; L1134-F1138 HydrophobicContact CD2-CD1 4.12Å; L1134-I1139 WeakPolarHBondContact O-CD1 3.42Å; L1134-I1139 VanDerWaalsContact O-CG1 3.28Å; L1134-I1139 WeakPolarHBondContact O-CG1 3.36Å |
| 1135 | L | 85.9 | Confident | 79.5 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -77.6 | -36.1 | -172.7 | -83.4 | 165.6 | 0 | 0 | 0 | 114.8 | V1071 G1131 A1132 T1184 L1185 S1188 Q1192 | V1071-L1135 HydrophobicContact CG1-CD1 4.42Å; V1071-L1135 HydrophobicContact CG2-CG 4.26Å; G1131-L1135 VanDerWaalsContact O-CB 3.29Å; G1131-L1135 WeakPolarHBondContact O-CB 3.34Å; G1131-L1135 WeakPolarHBondContact O-CG 3.26Å; G1131-L1135 PolarHBondContact O-N 2.9Å; A1132-L1135 PolarHBondContact O-N 3.05Å; A1132-L1135 VanDerWaalsContact O-N 3.12Å; L1135-T1184 HydrophobicContact CD1-CG2 3.76Å; L1135-T1184 HydrophobicContact CD2-CG2 3.86Å; L1135-L1185 HydrophobicContact CD2-CD2 3.67Å; L1135-L1185 HydrophobicContact CD2-CG 4.1Å; L1135-S1188 PolarHBondContact O-OG 2.8Å; L1135-Q1192 PolarHBondContact O-NE2 3.23Å |
| 1136 | E | 80.8 | Confident | 77.7 | Confident | 137 Ų | 137 | 41.4 Ų | 41.4 | 64% | 0.64 | 22% | 0.218 | S | C | * | . | I | π-helix | trans | -106.2 | -64.7 | -174.1 | -64.4 | 177.5 | 178.3 | 0 | 0 | 110.7 | A1132 G1140 | A1132-E1136 PolarHBondContact O-N 2.81Å; E1136-G1140 PolarHBondContact O-N 3.21Å |
| 1137 | H | 77.6 | Confident | 76 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -67.7 | -52.9 | -171.7 | -173.1 | 90.7 | 0 | 0 | 0 | 112.4 | F1133 G1140 L1141 | F1133-H1137 HydrophobicContact CD2-CB 4.03Å; F1133-H1137 AromaticContact CE2-CD2 3.68Å; F1133-H1137 PolarHBondContact O-N 2.8Å; H1137-G1140 PolarHBondContact O-N 3.23Å; H1137-L1141 WeakPolarHBondContact NE2-CD1 3.5Å; H1137-L1141 WeakPolarHBondContact O-CG 3.48Å; H1137-L1141 PolarHBondContact O-N 2.82Å |
| 1138 | F | 78.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -72.2 | -41.2 | -173.8 | -176.1 | -121.3 | 0 | 0 | 0 | 113 | P974 I977 Y1056 I1067 F1133 L1134 L1141 I1142 | P974-F1138 HydrophobicContact CB-CD2 4.36Å; P974-F1138 HydrophobicContact CB-CE2 4.04Å; P974-F1138 HydrophobicContact CB-CZ 4.12Å; P974-F1138 HydrophobicContact CG-CD1 4.39Å; P974-F1138 HydrophobicContact CG-CD2 4.25Å; P974-F1138 HydrophobicContact CG-CE2 4.39Å; P974-F1138 HydrophobicContact CG-CG 4.26Å; I977-F1138 HydrophobicContact CD1-CD2 3.57Å; I977-F1138 HydrophobicContact CD1-CE2 3.38Å; Y1056-F1138 AromaticContact CD1-CE1 3.46Å; Y1056-F1138 HydrophobicContact CD1-CE1 3.46Å; Y1056-F1138 VanDerWaalsContact CD1-CE1 3.46Å; Y1056-F1138 AromaticContact CD1-CZ 3.49Å; Y1056-F1138 HydrophobicContact CD1-CZ 3.49Å; Y1056-F1138 VanDerWaalsContact CD1-CZ 3.49Å; Y1056-F1138 HydrophobicContact CD2-CZ 4.4Å; Y1056-F1138 AromaticContact CE1-CE1 3.44Å; Y1056-F1138 HydrophobicContact CE1-CE1 3.44Å; Y1056-F1138 VanDerWaalsContact CE1-CE1 3.44Å; Y1056-F1138 AromaticContact CE1-CZ 3.91Å; Y1056-F1138 HydrophobicContact CE1-CZ 3.91Å; Y1056-F1138 HydrophobicContact CG-CE1 4.16Å; Y1056-F1138 AromaticContact CG-CZ 3.75Å; Y1056-F1138 HydrophobicContact CG-CZ 3.75Å; I1067-F1138 HydrophobicContact CD1-CD1 3.97Å; I1067-F1138 HydrophobicContact CD1-CE1 3.81Å; I1067-F1138 HydrophobicContact CG1-CD1 4.11Å; I1067-F1138 HydrophobicContact CG1-CE1 3.87Å; F1133-F1138 PolarHBondContact O-N 3.45Å; L1134-F1138 HydrophobicContact CD2-CD1 4.12Å; F1138-L1141 PolarHBondContact O-N 2.97Å; F1138-I1142 HydrophobicContact CD1-CD1 4.07Å; F1138-I1142 HydrophobicContact CE1-CD1 3.72Å; F1138-I1142 HydrophobicContact CE2-CD1 4.27Å; F1138-I1142 HydrophobicContact CE2-CG1 4.48Å; F1138-I1142 HydrophobicContact CZ-CD1 3.83Å; F1138-I1142 HydrophobicContact CZ-CG1 4.45Å; F1138-I1142 WeakPolarHBondContact O-CG1 3.5Å; F1138-I1142 PolarHBondContact O-N 2.82Å; F1138-I1142 VanDerWaalsContact O-N 3.17Å |
| 1139 | I | 79.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -40 | 173.6 | -70.3 | 169.8 | 0 | 0 | 0 | 111.1 | I1067 L1134 L1141 I1142 L1143 I1162 L1185 | I1067-I1139 HydrophobicContact CD1-CG1 4.03Å; I1067-I1139 HydrophobicContact CG2-CD1 4.19Å; L1134-I1139 WeakPolarHBondContact O-CD1 3.42Å; L1134-I1139 VanDerWaalsContact O-CG1 3.28Å; L1134-I1139 WeakPolarHBondContact O-CG1 3.36Å; I1139-L1141 VanDerWaalsContact C-N 3.31Å; I1139-L1141 PolarHBondContact O-N 2.8Å; I1139-I1142 PolarHBondContact O-N 2.85Å; I1139-I1142 VanDerWaalsContact O-N 3.1Å; I1139-L1143 HydrophobicContact CG2-CD1 3.62Å; I1139-L1143 HydrophobicContact CG2-CG 4.08Å; I1139-L1143 WeakPolarHBondContact O-CG 3.47Å; I1139-L1143 PolarHBondContact O-N 2.64Å; I1139-I1162 HydrophobicContact CB-CD1 4.35Å; I1139-I1162 HydrophobicContact CG1-CD1 3.96Å; I1139-I1162 HydrophobicContact CG2-CD1 3.88Å; I1139-L1185 HydrophobicContact CD1-CD2 3.41Å; I1139-L1185 VanDerWaalsContact CD1-CD2 3.41Å |
| 1140 | G | 72.4 | Confident | 69.2 | Low | 21 Ų | 21 | 50.3 Ų | 50.3 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1136 H1137 S1144 | E1136-G1140 PolarHBondContact O-N 3.21Å; H1137-G1140 PolarHBondContact O-N 3.23Å; G1140-S1144 WeakPolarHBondContact O-CB 3.4Å; G1140-S1144 PolarHBondContact O-N 2.73Å; G1140-S1144 VanDerWaalsContact O-N 3.11Å; G1140-S1144 PolarHBondContact O-OG 3.02Å |
| 1141 | L | 70.5 | Confident | 66.8 | Low | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 172.2 | -77.6 | 174.7 | 0 | 0 | 0 | 113.1 | I977 H1137 F1138 I1139 Y1147 | I977-L1141 HydrophobicContact CG2-CD1 3.55Å; H1137-L1141 WeakPolarHBondContact NE2-CD1 3.5Å; H1137-L1141 WeakPolarHBondContact O-CG 3.48Å; H1137-L1141 PolarHBondContact O-N 2.82Å; F1138-L1141 PolarHBondContact O-N 2.97Å; I1139-L1141 VanDerWaalsContact C-N 3.31Å; I1139-L1141 PolarHBondContact O-N 2.8Å; L1141-Y1147 HydrophobicContact CB-CE2 3.89Å; L1141-Y1147 HydrophobicContact CD2-CE2 4.47Å |
| 1142 | I | 73.5 | Confident | 64.4 | Low | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.1 | -48.9 | 176.8 | -62.2 | 160.7 | 0 | 0 | 0 | 111 | I1067 F1138 I1139 P1159 I1162 | I1067-I1142 HydrophobicContact CD1-CD1 3.91Å; F1138-I1142 HydrophobicContact CD1-CD1 4.07Å; F1138-I1142 HydrophobicContact CE1-CD1 3.72Å; F1138-I1142 HydrophobicContact CE2-CD1 4.27Å; F1138-I1142 HydrophobicContact CE2-CG1 4.48Å; F1138-I1142 HydrophobicContact CZ-CD1 3.83Å; F1138-I1142 HydrophobicContact CZ-CG1 4.45Å; F1138-I1142 WeakPolarHBondContact O-CG1 3.5Å; F1138-I1142 PolarHBondContact O-N 2.82Å; F1138-I1142 VanDerWaalsContact O-N 3.17Å; I1139-I1142 PolarHBondContact O-N 2.85Å; I1139-I1142 VanDerWaalsContact O-N 3.1Å; I1142-P1159 HydrophobicContact CB-CG 4.38Å; I1142-P1159 HydrophobicContact CG1-CB 4.11Å; I1142-P1159 HydrophobicContact CG1-CG 3.7Å; I1142-I1162 HydrophobicContact CB-CD1 4.38Å; I1142-I1162 HydrophobicContact CD1-CD1 4.11Å; I1142-I1162 HydrophobicContact CD1-CG1 4.36Å; I1142-I1162 HydrophobicContact CG2-CD1 4.21Å; I1142-I1162 HydrophobicContact CG2-CG1 3.94Å |
| 1143 | L | 69.9 | Low | 61.6 | Low | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72 | -34.3 | -172.9 | -67.8 | 176.8 | 0 | 0 | 0 | 113.3 | I1139 C1189 Q1192 L1193 N1347 L1348 | I1139-L1143 HydrophobicContact CG2-CD1 3.62Å; I1139-L1143 HydrophobicContact CG2-CG 4.08Å; I1139-L1143 WeakPolarHBondContact O-CG 3.47Å; I1139-L1143 PolarHBondContact O-N 2.64Å; L1143-C1189 HydrophobicContact CD1-CB 4.41Å; L1143-Q1192 HydrophobicContact CD1-CB 3.87Å; L1143-L1193 HydrophobicContact CD2-CD2 4.31Å; L1143-N1347 PolarHBondContact O-ND2 2.86Å; L1143-N1347 VanDerWaalsContact O-ND2 3.09Å; L1143-L1348 HydrophobicContact CD2-CD2 4.32Å |
| 1144 | S | 62.1 | Low | 59.4 | Low | 55 Ų | 55 | 75.5 Ų | 75.5 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10 | -170 | 66 | 0 | 0 | 0 | 0 | 115.9 | G1140 K1146 | G1140-S1144 WeakPolarHBondContact O-CB 3.4Å; G1140-S1144 PolarHBondContact O-N 2.73Å; G1140-S1144 VanDerWaalsContact O-N 3.11Å; G1140-S1144 PolarHBondContact O-OG 3.02Å; S1144-K1146 PolarHBondContact O-N 2.91Å; S1144-K1146 PolarHBondContact OG-N 3.34Å |
| 1145 | N | 54.3 | Low | 57.4 | Low | 57 Ų | 57 | 80 Ų | 80 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | trans | 52.3 | 10.8 | -169.4 | -83.8 | -26.1 | 0 | 0 | 0 | 115.6 | Y1147 S1148 N1347 | N1145-Y1147 PolarHBondContact O-N 3.47Å; N1145-S1148 PolarHBondContact O-N 3.09Å; N1145-S1148 VanDerWaalsContact O-N 3.12Å; N1145-S1148 PolarHBondContact O-OG 2.98Å; N1145-N1347 PolarHBondContact ND2-ND2 3.05Å; N1145-N1347 PolarHBondContact ND2-OD1 2.77Å | ||
| 1146 | K | 45.8 | Very low | 55.4 | Low | 136 Ų | 136 | 85.9 Ų | 85.9 | 59% | 0.591 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -68.9 | -2.2 | -175.2 | -76.5 | -175 | 177.6 | -178.6 | 0 | 114.9 | S1144 S1148 S1149 | S1144-K1146 PolarHBondContact O-N 2.91Å; S1144-K1146 PolarHBondContact OG-N 3.34Å; K1146-S1148 PolarHBondContact O-N 2.76Å; K1146-S1148 VanDerWaalsContact O-N 3.1Å; K1146-S1149 PolarHBondContact O-N 2.82Å; K1146-S1149 PolarHBondContact O-OG 2.98Å |
| 1147 | Y | 45.5 | Very low | 54 | Low | 61 Ų | 61 | 81.5 Ų | 81.5 | 24% | 0.239 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -50.5 | -24.9 | 160.4 | -87.1 | -71.3 | 0 | 0 | 0 | 113.5 | L1141 N1145 P1159 | L1141-Y1147 HydrophobicContact CB-CE2 3.89Å; L1141-Y1147 HydrophobicContact CD2-CE2 4.47Å; N1145-Y1147 PolarHBondContact O-N 3.47Å; Y1147-P1159 HydrophobicContact CD2-CG 4.43Å; Y1147-P1159 HydrophobicContact CE2-CG 3.95Å |
| 1148 | S | 40 | Very low | 53.1 | Low | 72 Ų | 72 | 81.7 Ų | 81.7 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -75.4 | -16.7 | 173 | 52.9 | 0 | 0 | 0 | 0 | 115.3 | N1145 K1146 | N1145-S1148 PolarHBondContact O-N 3.09Å; N1145-S1148 VanDerWaalsContact O-N 3.12Å; N1145-S1148 PolarHBondContact O-OG 2.98Å; K1146-S1148 PolarHBondContact O-N 2.76Å; K1146-S1148 VanDerWaalsContact O-N 3.1Å |
| 1149 | S | 37.2 | Very low | 52.3 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 57% | 0.566 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -100.5 | 1.6 | -165.7 | 64.3 | 0 | 0 | 0 | 0 | 115.9 | K1146 | K1146-S1149 PolarHBondContact O-N 2.82Å; K1146-S1149 PolarHBondContact O-OG 2.98Å |
| 1150 | Y | 40.6 | Very low | 51.8 | Low | 197 Ų | 197 | 83.6 Ų | 83.6 | 77% | 0.773 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -95.1 | 132.3 | 164.9 | -89.5 | -90.7 | 0 | 0 | 0 | 109.4 | D1152 | Y1150-D1152 PolarHBondContact O-N 2.96Š|
| 1151 | S | 36.8 | Very low | 51.6 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 82% | 0.818 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.8 | 16 | -163.1 | 55.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1152 | D | 36.4 | Very low | 52.1 | Low | 133 Ų | 133 | 81.7 Ų | 81.7 | 71% | 0.711 | 42% | 0.417 | S | S | * | . | trans | -107.3 | 54.7 | 171.4 | -77 | -46.8 | 0 | 0 | 0 | 110.1 | Y1150 K1154 | Y1150-D1152 PolarHBondContact O-N 2.96Å; D1152-K1154 PolarHBondContact O-N 2.85Å | ||
| 1153 | E | 30.6 | Very low | 52.3 | Low | 160 Ų | 160 | 82.4 Ų | 82.4 | 75% | 0.748 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 5.9 | -163.3 | -63.3 | -175.7 | 114.3 | 0 | 0 | 118 | ||
| 1154 | K | 43 | Very low | 53 | Low | 179 Ų | 179 | 82.2 Ų | 82.2 | 78% | 0.778 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -6.6 | -168.2 | -69 | -176.4 | 179 | 174.3 | 0 | 116.4 | D1152 | D1152-K1154 PolarHBondContact O-N 2.85Š|
| 1155 | L | 44 | Very low | 53.9 | Low | 94 Ų | 94 | 80.9 Ų | 80.9 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -116.1 | -0.7 | -156.9 | -75.7 | 170.4 | 0 | 0 | 0 | 118.1 | I1043 | I1043-L1155 HydrophobicContact CD1-CD2 4.14Š|
| 1156 | R | 44.9 | Very low | 55.1 | Low | 151 Ų | 151 | 78.6 Ų | 78.6 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | trans | -137.4 | 138.3 | 174.7 | -62.6 | -169.1 | -170.8 | -153 | 5.4 | 112.9 | G976 | G976-R1156 PolarHBondContact O-NH1 2.89Š| ||
| 1157 | P | 51.5 | Low | 57.1 | Low | 46 Ų | 46 | 72.1 Ų | 72.1 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.3 | 173.2 | 30.4 | -36 | 0 | 0 | 0 | 111.2 | C1057 | C1057-P1157 HydrophobicContact CB-CB 4.41Å; C1057-P1157 HydrophobicContact CB-CG 4.2Å |
| 1158 | I | 57.4 | Low | 59.1 | Low | 92 Ų | 92 | 69.2 Ų | 69.2 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 129.9 | 173.5 | -55.8 | 175.1 | 0 | 0 | 0 | 108.4 | ||
| 1159 | P | 62.8 | Low | 61.1 | Low | 11 Ų | 11 | 70.6 Ų | 70.6 | 7% | 0.071 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 144 | 175.9 | 26.7 | -34.1 | 0 | 0 | 0 | 111.8 | I1142 Y1147 | I1142-P1159 HydrophobicContact CB-CG 4.38Å; I1142-P1159 HydrophobicContact CG1-CB 4.11Å; I1142-P1159 HydrophobicContact CG1-CG 3.7Å; Y1147-P1159 HydrophobicContact CD2-CG 4.43Å; Y1147-P1159 HydrophobicContact CE2-CG 3.95Å |
| 1160 | P | 67.7 | Low | 63.3 | Low | 30 Ų | 30 | 67.2 Ų | 67.2 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 159.5 | 177.6 | 31 | -34.3 | 0 | 0 | 0 | 112.3 | Y1056 | Y1056-P1160 WeakPolarHBondContact O-CD 3.3Š|
| 1161 | P | 68.6 | Low | 65.6 | Low | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 161.3 | -175.6 | 26 | -39.5 | 0 | 0 | 0 | 115 | S1060 S1346 N1347 N1349 | S1060-P1161 VanDerWaalsContact CA-O 3.3Å; S1060-P1161 WeakPolarHBondContact CA-O 3.49Å; S1060-P1161 WeakPolarHBondContact CB-O 3.48Å; P1161-S1346 VanDerWaalsContact CB-O 3.22Å; P1161-S1346 WeakPolarHBondContact CB-O 3.25Å; P1161-S1346 WeakPolarHBondContact CD-O 3.42Å; P1161-S1346 WeakPolarHBondContact CG-O 3.4Å; P1161-N1347 VanDerWaalsContact CB-O 3.23Å; P1161-N1347 WeakPolarHBondContact CB-O 3.29Å; P1161-N1349 HydrophobicContact CB-CB 4.32Å; P1161-N1349 HydrophobicContact CG-CB 3.73Å |
| 1162 | I | 80.7 | Confident | 67.9 | Low | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 130 | 179 | -59.7 | 175.9 | 0 | 0 | 0 | 111 | T1064 I1067 I1139 I1142 L1164 F1167 | T1064-I1162 HydrophobicContact CG2-CG2 4.31Å; I1067-I1162 HydrophobicContact CD1-CD1 4.26Å; I1139-I1162 HydrophobicContact CB-CD1 4.35Å; I1139-I1162 HydrophobicContact CG1-CD1 3.96Å; I1139-I1162 HydrophobicContact CG2-CD1 3.88Å; I1142-I1162 HydrophobicContact CB-CD1 4.38Å; I1142-I1162 HydrophobicContact CD1-CD1 4.11Å; I1142-I1162 HydrophobicContact CD1-CG1 4.36Å; I1142-I1162 HydrophobicContact CG2-CD1 4.21Å; I1142-I1162 HydrophobicContact CG2-CG1 3.94Å; I1162-L1164 HydrophobicContact CG2-CD2 4.48Å; I1162-L1164 PolarHBondContact O-N 2.88Å; I1162-L1164 VanDerWaalsContact O-N 3.08Å; I1162-F1167 HydrophobicContact CG2-CE2 3.49Å; I1162-F1167 VanDerWaalsContact CG2-CE2 3.49Å; I1162-F1167 HydrophobicContact CG2-CZ 3.71Å |
| 1163 | E | 79.4 | Confident | 70 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | trans | -82.3 | 81.3 | -179.9 | -68.4 | -77.9 | 163.6 | 0 | 0 | 111.2 | S1060 I1061 T1064 N1165 L1166 N1349 | S1060-E1163 PolarHBondContact OG-OE1 3.03Å; I1061-E1163 HydrophobicContact CG1-CG 3.92Å; T1064-E1163 HydrophobicContact CG2-CB 4.1Å; T1064-E1163 PolarHBondContact OG1-N 2.68Å; E1163-N1165 PolarHBondContact O-N 2.83Å; E1163-L1166 HydrophobicContact CB-CB 4.16Å; E1163-L1166 VanDerWaalsContact O-CB 3.24Å; E1163-L1166 WeakPolarHBondContact O-CB 3.42Å; E1163-L1166 PolarHBondContact O-N 3.15Å; E1163-N1349 PolarHBondContact OE1-ND2 3.18Å | ||
| 1164 | L | 84 | Confident | 72 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.6 | -30.7 | 175.1 | -56.3 | 179 | 0 | 0 | 0 | 112.7 | I1162 L1166 F1167 A1168 L1186 C1189 L1201 L1348 | I1162-L1164 HydrophobicContact CG2-CD2 4.48Å; I1162-L1164 PolarHBondContact O-N 2.88Å; I1162-L1164 VanDerWaalsContact O-N 3.08Å; L1164-L1166 PolarHBondContact O-N 3.25Å; L1164-L1166 VanDerWaalsContact O-N 3.12Å; L1164-F1167 HydrophobicContact CD2-CD2 4.34Å; L1164-F1167 PolarHBondContact O-N 3.05Å; L1164-A1168 WeakPolarHBondContact O-CB 3.2Å; L1164-A1168 PolarHBondContact O-N 3.01Å; L1164-L1186 HydrophobicContact CB-CD1 4.08Å; L1164-L1186 HydrophobicContact CD2-CD1 4.04Å; L1164-C1189 HydrophobicContact CD2-CB 3.56Å; L1164-L1201 HydrophobicContact CD1-CD1 3.5Å; L1164-L1201 VanDerWaalsContact CD1-CD1 3.5Å; L1164-L1348 HydrophobicContact CD1-CD2 3.87Å; L1164-L1348 HydrophobicContact CG-CD2 4.33Å |
| 1165 | N | 80.2 | Confident | 73.7 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -49.4 | -26.3 | 168.6 | -80.2 | -55.1 | 0 | 0 | 0 | 115.8 | E1163 R1169 W1205 I1378 | E1163-N1165 PolarHBondContact O-N 2.83Å; N1165-R1169 WeakPolarHBondContact O-CG 3.39Å; N1165-R1169 PolarHBondContact O-NE 3.22Å; N1165-W1205 WeakPolarHBondContact OD1-CH2 3.45Å; N1165-W1205 WeakPolarHBondContact OD1-CZ2 3.46Å; N1165-I1378 WeakPolarHBondContact O-CD1 3.44Å |
| 1166 | L | 80.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -90.9 | -44.4 | -175 | -156.5 | 157.6 | 0 | 0 | 0 | 109.8 | N7 I1061 T1064 N1065 L1068 E1163 L1164 R1169 K1170 | N7-L1166 HydrophobicContact CB-CD1 4.32Å; N7-L1166 HydrophobicContact CB-CD2 4.11Å; N7-L1166 HydrophobicContact CB-CG 4.32Å; I1061-L1166 HydrophobicContact CG2-CD1 4.14Å; T1064-L1166 HydrophobicContact CG2-CB 3.88Å; T1064-L1166 HydrophobicContact CG2-CD1 4.06Å; T1064-L1166 HydrophobicContact CG2-CD2 4.38Å; T1064-L1166 HydrophobicContact CG2-CG 4.33Å; N1065-L1166 WeakPolarHBondContact OD1-CD1 3.36Å; L1068-L1166 HydrophobicContact CD2-CD2 3.95Å; E1163-L1166 HydrophobicContact CB-CB 4.16Å; E1163-L1166 VanDerWaalsContact O-CB 3.24Å; E1163-L1166 WeakPolarHBondContact O-CB 3.42Å; E1163-L1166 PolarHBondContact O-N 3.15Å; L1164-L1166 PolarHBondContact O-N 3.25Å; L1164-L1166 VanDerWaalsContact O-N 3.12Å; L1166-R1169 PolarHBondContact O-N 3.46Å; L1166-K1170 PolarHBondContact O-N 2.91Å |
| 1167 | F | 88.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 171.6 | -54.5 | -31.3 | 0 | 0 | 0 | 111.9 | T1064 L1068 I1162 L1164 R1169 K1170 W1171 L1185 L1186 | T1064-F1167 HydrophobicContact CG2-CD1 4.03Å; T1064-F1167 HydrophobicContact CG2-CE1 3.42Å; T1064-F1167 VanDerWaalsContact CG2-CE1 3.42Å; T1064-F1167 HydrophobicContact CG2-CE2 4.46Å; T1064-F1167 HydrophobicContact CG2-CZ 3.68Å; L1068-F1167 HydrophobicContact CB-CE1 4.21Å; L1068-F1167 HydrophobicContact CD1-CD1 4.48Å; I1162-F1167 HydrophobicContact CG2-CE2 3.49Å; I1162-F1167 VanDerWaalsContact CG2-CE2 3.49Å; I1162-F1167 HydrophobicContact CG2-CZ 3.71Å; L1164-F1167 HydrophobicContact CD2-CD2 4.34Å; L1164-F1167 PolarHBondContact O-N 3.05Å; F1167-R1169 VanDerWaalsContact C-N 3.26Å; F1167-R1169 PolarHBondContact O-N 3.45Å; F1167-K1170 CarbonylContact O-C 3.59Å; F1167-K1170 WeakPolarHBondContact O-CA 3.37Å; F1167-K1170 PolarHBondContact O-N 3.47Å; F1167-W1171 PolarHBondContact O-N 3.36Å; F1167-L1185 HydrophobicContact CD1-CB 4.28Å; F1167-L1185 HydrophobicContact CD1-CD1 4.43Å; F1167-L1185 HydrophobicContact CD2-CB 4.01Å; F1167-L1185 HydrophobicContact CE1-CB 4.06Å; F1167-L1185 HydrophobicContact CE1-CD1 3.83Å; F1167-L1185 HydrophobicContact CE1-CG 4.49Å; F1167-L1185 HydrophobicContact CE2-CB 3.77Å; F1167-L1185 HydrophobicContact CG-CB 4.26Å; F1167-L1185 HydrophobicContact CZ-CB 3.8Å; F1167-L1185 HydrophobicContact CZ-CD1 4.07Å; F1167-L1185 HydrophobicContact CZ-CD2 4.4Å; F1167-L1185 HydrophobicContact CZ-CG 4.33Å; F1167-L1186 HydrophobicContact CB-CB 3.96Å; F1167-L1186 HydrophobicContact CD2-CB 4.32Å |
| 1168 | A | 86 | Confident | 79.4 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.8 | -35.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1164 K1170 W1171 L1186 I1378 I1381 L1382 | L1164-A1168 WeakPolarHBondContact O-CB 3.2Å; L1164-A1168 PolarHBondContact O-N 3.01Å; A1168-K1170 VanDerWaalsContact C-N 3.3Å; A1168-K1170 PolarHBondContact O-N 2.68Å; A1168-W1171 WeakPolarHBondContact O-CB 3.32Å; A1168-W1171 PolarHBondContact O-N 3.41Å; A1168-L1186 HydrophobicContact CB-CD2 4.48Å; A1168-I1378 HydrophobicContact CB-CG2 4.04Å; A1168-I1381 HydrophobicContact CB-CG2 4.18Å; A1168-I1381 WeakPolarHBondContact O-CD1 3.09Å; A1168-L1382 HydrophobicContact CB-CD2 4.03Å; A1168-L1382 HydrophobicContact CB-CG 4.06Å |
| 1169 | R | 81.9 | Confident | 80.9 | Confident | 101 Ų | 101 | 18 Ų | 18 | 38% | 0.381 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -68.7 | -28.4 | 173.8 | -67 | 172.6 | -138.6 | -168.3 | -0.1 | 113.1 | N1165 L1166 F1167 I1378 | N1165-R1169 WeakPolarHBondContact O-CG 3.39Å; N1165-R1169 PolarHBondContact O-NE 3.22Å; L1166-R1169 PolarHBondContact O-N 3.46Å; F1167-R1169 VanDerWaalsContact C-N 3.26Å; F1167-R1169 PolarHBondContact O-N 3.45Å; R1169-I1378 HydrophobicContact CG-CD1 3.73Å; R1169-I1378 HydrophobicContact CG-CG1 4.16Å |
| 1170 | K | 84.9 | Confident | 82.2 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 4% | 0.043 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -92.8 | -2.2 | -178.5 | -71.3 | -72 | -162 | 162.9 | 0 | 113.3 | T8 L1068 L1166 F1167 A1168 Q1172 D1173 I1178 A1182 | T8-K1170 PolarHBondContact OG1-NZ 3.48Å; L1068-K1170 HydrophobicContact CD2-CG 4.14Å; L1166-K1170 PolarHBondContact O-N 2.91Å; F1167-K1170 CarbonylContact O-C 3.59Å; F1167-K1170 WeakPolarHBondContact O-CA 3.37Å; F1167-K1170 PolarHBondContact O-N 3.47Å; A1168-K1170 VanDerWaalsContact C-N 3.3Å; A1168-K1170 PolarHBondContact O-N 2.68Å; K1170-Q1172 PolarHBondContact O-N 3.27Å; K1170-D1173 HydrophobicContact CB-CB 4.46Å; K1170-D1173 HydrophobicContact CD-CB 3.8Å; K1170-D1173 WeakPolarHBondContact CD-OD2 3.42Å; K1170-D1173 WeakPolarHBondContact CE-OD2 3.46Å; K1170-D1173 IonicContact NZ-OD2 3.79Å; K1170-D1173 PolarHBondContact NZ-OD2 2.84Å; K1170-D1173 WeakPolarHBondContact O-CB 3.25Å; K1170-D1173 PolarHBondContact O-N 2.97Å; K1170-I1178 HydrophobicContact CD-CG2 3.8Å; K1170-I1178 HydrophobicContact CG-CG2 4.44Å; K1170-A1182 HydrophobicContact CB-CB 3.46Å; K1170-A1182 VanDerWaalsContact CB-CB 3.46Å |
| 1171 | W | 87.5 | Confident | 83.3 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.027 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -27.5 | 179 | -171.5 | -92.3 | 0 | 0 | 0 | 114.6 | F1167 A1168 R1179 R1183 L1186 L1187 I1381 V1385 D1568 L1569 | F1167-W1171 PolarHBondContact O-N 3.36Å; A1168-W1171 WeakPolarHBondContact O-CB 3.32Å; A1168-W1171 PolarHBondContact O-N 3.41Å; W1171-R1179 VanDerWaalsContact O-CG 3.29Å; W1171-R1179 WeakPolarHBondContact O-CG 3.44Å; W1171-R1183 HydrophobicContact CD2-CG 3.76Å; W1171-R1183 HydrophobicContact CE3-CB 4.16Å; W1171-R1183 HydrophobicContact CE3-CG 3.59Å; W1171-R1183 HydrophobicContact CG-CG 4.46Å; W1171-R1183 HydrophobicContact CH2-CB 4.17Å; W1171-R1183 HydrophobicContact CH2-CG 3.93Å; W1171-R1183 HydrophobicContact CZ2-CG 4.06Å; W1171-R1183 HydrophobicContact CZ3-CB 3.86Å; W1171-R1183 HydrophobicContact CZ3-CG 3.69Å; W1171-R1183 PolarHBondContact O-NE 3.21Å; W1171-R1183 PolarHBondContact O-NH2 3.29Å; W1171-L1186 HydrophobicContact CE3-CD2 3.77Å; W1171-L1186 HydrophobicContact CZ3-CB 4.34Å; W1171-L1186 HydrophobicContact CZ3-CD2 3.96Å; W1171-L1187 HydrophobicContact CH2-CD1 4.38Å; W1171-L1187 HydrophobicContact CH2-CG 4.38Å; W1171-L1187 HydrophobicContact CZ3-CG 4.48Å; W1171-I1381 HydrophobicContact CB-CG2 4.05Å; W1171-I1381 HydrophobicContact CG-CG2 4.11Å; W1171-V1385 HydrophobicContact CD2-CG2 3.97Å; W1171-V1385 HydrophobicContact CE3-CG2 3.84Å; W1171-V1385 HydrophobicContact CH2-CG1 4.11Å; W1171-V1385 HydrophobicContact CH2-CG2 3.64Å; W1171-V1385 HydrophobicContact CZ2-CG2 3.78Å; W1171-V1385 HydrophobicContact CZ3-CG1 4.11Å; W1171-V1385 HydrophobicContact CZ3-CG2 3.65Å; W1171-D1568 PolarHBondContact NE1-OD2 2.73Å; W1171-L1569 HydrophobicContact CZ2-CD2 3.84Å |
| 1172 | Q | 84.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.028 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 48.2 | 169.7 | -69.6 | -73.7 | 21.4 | 0 | 0 | 111.3 | K1170 R1179 T1561 R1564 A1565 D1568 | K1170-Q1172 PolarHBondContact O-N 3.27Å; Q1172-R1179 VanDerWaalsContact OE1-CD 3.31Å; Q1172-R1179 VanDerWaalsContact OE1-CZ 3.3Å; Q1172-T1561 VanDerWaalsContact O-CG2 3.3Å; Q1172-T1561 WeakPolarHBondContact O-CG2 3.18Å; Q1172-R1564 HydrophobicContact CB-CB 4.21Å; Q1172-R1564 HydrophobicContact CG-CB 3.88Å; Q1172-R1564 PolarHBondContact NE2-O 2.92Å; Q1172-A1565 HydrophobicContact CG-CB 3.83Å; Q1172-D1568 VanDerWaalsContact NE2-CB 3.31Å |
| 1173 | D | 81.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 18.7 Ų | 18.7 | 12% | 0.118 | 8% | 0.083 | C | C | . | . | trans | -63.3 | 143.1 | 169.5 | -165.3 | -77.3 | 0 | 0 | 0 | 111.1 | K1170 C1175 I1178 R1179 | K1170-D1173 HydrophobicContact CB-CB 4.46Å; K1170-D1173 HydrophobicContact CD-CB 3.8Å; K1170-D1173 WeakPolarHBondContact CD-OD2 3.42Å; K1170-D1173 WeakPolarHBondContact CE-OD2 3.46Å; K1170-D1173 IonicContact NZ-OD2 3.79Å; K1170-D1173 PolarHBondContact NZ-OD2 2.84Å; K1170-D1173 WeakPolarHBondContact O-CB 3.25Å; K1170-D1173 PolarHBondContact O-N 2.97Å; D1173-C1175 PolarHBondContact O-N 2.86Å; D1173-C1175 WeakPolarHBondContact OD1-CB 3.42Å; D1173-C1175 PolarHBondContact OD1-N 2.86Å; D1173-I1178 HydrophobicContact CB-CG2 4.25Å; D1173-R1179 HydrophobicContact CB-CB 4.45Å; D1173-R1179 PolarHBondContact O-NE 3.05Å; D1173-R1179 PolarHBondContact O-NH2 3.23Å | ||
| 1174 | R | 73.7 | Confident | 85.5 | Confident | 38 Ų | 38 | 20.6 Ų | 20.6 | 14% | 0.143 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -62.9 | -27.4 | -179.3 | 67.5 | 175.2 | -164.7 | 142.3 | 6.6 | 113 | P845 S846 E908 L1609 | P845-R1174 PolarHBondContact O-NH1 2.86Å; P845-R1174 PolarHBondContact O-NH2 3.48Å; S846-R1174 VanDerWaalsContact CA-NH1 3.34Å; E908-R1174 IonicContact OE1-CZ 3.59Å; E908-R1174 IonicContact OE1-NE 3.69Å; E908-R1174 PolarHBondContact OE1-NE 3.1Å; E908-R1174 IonicContact OE1-NH2 2.87Å; E908-R1174 PolarHBondContact OE1-NH2 2.88Å; R1174-L1609 HydrophobicContact CG-CD2 4.07Å |
| 1175 | C | 78.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -84.5 | 114.8 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | E908 I911 D1173 I1178 R1179 | E908-C1175 HydrophobicContact CG-CB 3.94Å; I911-C1175 VanDerWaalsContact CG2-SG 3.55Å; D1173-C1175 PolarHBondContact O-N 2.86Å; D1173-C1175 WeakPolarHBondContact OD1-CB 3.42Å; D1173-C1175 PolarHBondContact OD1-N 2.86Å; C1175-I1178 HydrophobicContact CB-CB 4.24Å; C1175-I1178 HydrophobicContact CB-CD1 3.91Å; C1175-I1178 HydrophobicContact CB-CG1 4.14Å; C1175-I1178 PolarHBondContact O-N 2.81Å; C1175-R1179 PolarHBondContact O-N 2.87Å |
| 1176 | L | 83.1 | Confident | 86.3 | Confident | 51 Ų | 51 | 18.8 Ų | 18.8 | 27% | 0.267 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -59.4 | -45.7 | -171.8 | -71.3 | -176.9 | 0 | 0 | 0 | 114 | I1178 R1179 Y1180 I1610 | L1176-I1178 VanDerWaalsContact C-N 3.32Å; L1176-I1178 PolarHBondContact O-N 2.81Å; L1176-R1179 WeakPolarHBondContact O-CB 3.49Å; L1176-R1179 PolarHBondContact O-N 3.3Å; L1176-R1179 VanDerWaalsContact O-N 3.12Å; L1176-Y1180 HydrophobicContact CB-CD2 4.4Å; L1176-Y1180 HydrophobicContact CB-CE2 3.96Å; L1176-Y1180 HydrophobicContact CD2-CE2 4.4Å; L1176-Y1180 VanDerWaalsContact O-CD2 3.3Å; L1176-Y1180 WeakPolarHBondContact O-CD2 3.45Å; L1176-Y1180 PolarHBondContact O-N 3.37Å; L1176-I1610 HydrophobicContact CD1-CD1 3.93Å; L1176-I1610 HydrophobicContact CD2-CD1 4.22Å; L1176-I1610 HydrophobicContact CG-CD1 4.12Å |
| 1177 | P | 87.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.058 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.2 | -26.5 | 36.8 | 0 | 0 | 0 | 113.3 | I911 S1072 E1075 L1076 R1179 Y1180 A1181 | I911-P1177 HydrophobicContact CD1-CB 4.35Å; I911-P1177 HydrophobicContact CG2-CG 3.94Å; S1072-P1177 WeakPolarHBondContact O-CB 3.15Å; E1075-P1177 HydrophobicContact CB-CB 4.08Å; E1075-P1177 HydrophobicContact CG-CB 3.96Å; L1076-P1177 HydrophobicContact CB-CB 4.22Å; L1076-P1177 HydrophobicContact CB-CG 4.15Å; P1177-R1179 VanDerWaalsContact C-N 3.35Å; P1177-Y1180 PolarHBondContact O-N 3.23Å; P1177-A1181 WeakPolarHBondContact O-CB 3.36Å; P1177-A1181 PolarHBondContact O-N 3.28Å |
| 1178 | I | 88.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.7 | -57.8 | 177.6 | 0 | 0 | 0 | 111.1 | T8 E908 I911 L1068 S1072 K1170 D1173 C1175 L1176 A1182 | T8-I1178 HydrophobicContact CG2-CD1 4.25Å; T8-I1178 HydrophobicContact CG2-CG2 4.14Å; E908-I1178 HydrophobicContact CB-CD1 3.87Å; E908-I1178 HydrophobicContact CG-CD1 3.97Å; I911-I1178 HydrophobicContact CD1-CD1 4.03Å; I911-I1178 HydrophobicContact CD1-CG1 3.69Å; L1068-I1178 HydrophobicContact CD1-CG2 4.47Å; S1072-I1178 WeakPolarHBondContact OG-CA 3.26Å; K1170-I1178 HydrophobicContact CD-CG2 3.8Å; K1170-I1178 HydrophobicContact CG-CG2 4.44Å; D1173-I1178 HydrophobicContact CB-CG2 4.25Å; C1175-I1178 HydrophobicContact CB-CB 4.24Å; C1175-I1178 HydrophobicContact CB-CD1 3.91Å; C1175-I1178 HydrophobicContact CB-CG1 4.14Å; C1175-I1178 PolarHBondContact O-N 2.81Å; L1176-I1178 VanDerWaalsContact C-N 3.32Å; L1176-I1178 PolarHBondContact O-N 2.81Å; I1178-A1182 VanDerWaalsContact O-CB 3.25Å; I1178-A1182 WeakPolarHBondContact O-CB 3.33Å; I1178-A1182 PolarHBondContact O-N 3.24Å |
| 1179 | R | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 176.6 | -171.3 | -169 | -55.6 | -164.4 | 11 | 111.9 | W1171 Q1172 D1173 C1175 L1176 P1177 R1183 D1615 | W1171-R1179 VanDerWaalsContact O-CG 3.29Å; W1171-R1179 WeakPolarHBondContact O-CG 3.44Å; Q1172-R1179 VanDerWaalsContact OE1-CD 3.31Å; Q1172-R1179 VanDerWaalsContact OE1-CZ 3.3Å; D1173-R1179 HydrophobicContact CB-CB 4.45Å; D1173-R1179 PolarHBondContact O-NE 3.05Å; D1173-R1179 PolarHBondContact O-NH2 3.23Å; C1175-R1179 PolarHBondContact O-N 2.87Å; L1176-R1179 WeakPolarHBondContact O-CB 3.49Å; L1176-R1179 PolarHBondContact O-N 3.3Å; L1176-R1179 VanDerWaalsContact O-N 3.12Å; P1177-R1179 VanDerWaalsContact C-N 3.35Å; R1179-R1183 WeakPolarHBondContact O-CD 3.44Å; R1179-R1183 WeakPolarHBondContact O-CG 3.47Å; R1179-R1183 PolarHBondContact O-N 3.29Å; R1179-R1183 VanDerWaalsContact O-N 3.1Å; R1179-D1615 IonicContact CZ-OD1 3.44Å; R1179-D1615 IonicContact CZ-OD2 2.73Å; R1179-D1615 VanDerWaalsContact CZ-OD2 3.28Å; R1179-D1615 VanDerWaalsContact NH1-CG 3.3Å; R1179-D1615 IonicContact NH1-OD1 3.02Å; R1179-D1615 PolarHBondContact NH1-OD1 2.91Å; R1179-D1615 IonicContact NH1-OD2 2.86Å; R1179-D1615 PolarHBondContact NH1-OD2 3.25Å; R1179-D1615 VanDerWaalsContact NH2-CG 3.29Å; R1179-D1615 IonicContact NH2-OD1 2.68Å; R1179-D1615 PolarHBondContact NH2-OD1 3.02Å; R1179-D1615 IonicContact NH2-OD2 3.98Å; R1179-D1615 PolarHBondContact NH2-OD2 3.11Å |
| 1180 | Y | 90.5 | Very high | 87.1 | Confident | 61 Ų | 61 | 16.8 Ų | 16.8 | 24% | 0.239 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -70.2 | -43.4 | -179.6 | -60.3 | -41.6 | 0 | 0 | 0 | 111.1 | E1075 L1176 P1177 A1182 R1183 T1184 R1618 | E1075-Y1180 HydrophobicContact CG-CD2 4.16Å; E1075-Y1180 VanDerWaalsContact OE1-CD2 3.29Å; E1075-Y1180 WeakPolarHBondContact OE1-CD2 3.44Å; L1176-Y1180 HydrophobicContact CB-CD2 4.4Å; L1176-Y1180 HydrophobicContact CB-CE2 3.96Å; L1176-Y1180 HydrophobicContact CD2-CE2 4.4Å; L1176-Y1180 VanDerWaalsContact O-CD2 3.3Å; L1176-Y1180 WeakPolarHBondContact O-CD2 3.45Å; L1176-Y1180 PolarHBondContact O-N 3.37Å; P1177-Y1180 PolarHBondContact O-N 3.23Å; Y1180-A1182 PolarHBondContact O-N 3.48Å; Y1180-R1183 WeakPolarHBondContact O-CB 3.26Å; Y1180-R1183 PolarHBondContact O-N 3.17Å; Y1180-R1183 VanDerWaalsContact O-N 3.11Å; Y1180-T1184 PolarHBondContact O-N 2.98Å; Y1180-T1184 PolarHBondContact O-OG1 2.88Å; Y1180-R1618 PolarHBondContact OH-NH1 3.03Å |
| 1181 | A | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -54.6 | -49.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1068 V1071 S1072 P1177 R1183 T1184 L1185 | L1068-A1181 HydrophobicContact CD1-CB 4.09Å; V1071-A1181 HydrophobicContact CB-CB 3.95Å; V1071-A1181 HydrophobicContact CG1-CB 3.69Å; S1072-A1181 WeakPolarHBondContact OG-CB 3.39Å; P1177-A1181 WeakPolarHBondContact O-CB 3.36Å; P1177-A1181 PolarHBondContact O-N 3.28Å; A1181-R1183 VanDerWaalsContact C-N 3.29Å; A1181-R1183 PolarHBondContact O-N 3.05Å; A1181-T1184 PolarHBondContact O-N 3.01Å; A1181-L1185 VanDerWaalsContact O-CB 3.23Å; A1181-L1185 WeakPolarHBondContact O-CB 3.35Å; A1181-L1185 WeakPolarHBondContact O-CD1 3.43Å; A1181-L1185 WeakPolarHBondContact O-CG 3.48Å; A1181-L1185 PolarHBondContact O-N 3.45Å |
| 1182 | A | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.4 | -33 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1068 K1170 I1178 Y1180 L1186 | L1068-A1182 HydrophobicContact CD1-CB 3.9Å; K1170-A1182 HydrophobicContact CB-CB 3.46Å; K1170-A1182 VanDerWaalsContact CB-CB 3.46Å; I1178-A1182 VanDerWaalsContact O-CB 3.25Å; I1178-A1182 WeakPolarHBondContact O-CB 3.33Å; I1178-A1182 PolarHBondContact O-N 3.24Å; Y1180-A1182 PolarHBondContact O-N 3.48Å; A1182-L1186 VanDerWaalsContact O-CB 3.3Å; A1182-L1186 WeakPolarHBondContact O-CB 3.36Å; A1182-L1186 PolarHBondContact O-N 2.87Å; A1182-L1186 VanDerWaalsContact O-N 3.1Å |
| 1183 | R | 92.3 | Very high | 86.6 | Confident | 15 Ų | 15 | 22 Ų | 22 | 6% | 0.057 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.8 | -53.3 | 174.7 | -73.1 | 162 | 178.6 | -114.4 | -17.5 | 111.5 | W1171 R1179 Y1180 A1181 L1185 L1186 L1187 D1568 | W1171-R1183 HydrophobicContact CD2-CG 3.76Å; W1171-R1183 HydrophobicContact CE3-CB 4.16Å; W1171-R1183 HydrophobicContact CE3-CG 3.59Å; W1171-R1183 HydrophobicContact CG-CG 4.46Å; W1171-R1183 HydrophobicContact CH2-CB 4.17Å; W1171-R1183 HydrophobicContact CH2-CG 3.93Å; W1171-R1183 HydrophobicContact CZ2-CG 4.06Å; W1171-R1183 HydrophobicContact CZ3-CB 3.86Å; W1171-R1183 HydrophobicContact CZ3-CG 3.69Å; W1171-R1183 PolarHBondContact O-NE 3.21Å; W1171-R1183 PolarHBondContact O-NH2 3.29Å; R1179-R1183 WeakPolarHBondContact O-CD 3.44Å; R1179-R1183 WeakPolarHBondContact O-CG 3.47Å; R1179-R1183 PolarHBondContact O-N 3.29Å; R1179-R1183 VanDerWaalsContact O-N 3.1Å; Y1180-R1183 WeakPolarHBondContact O-CB 3.26Å; Y1180-R1183 PolarHBondContact O-N 3.17Å; Y1180-R1183 VanDerWaalsContact O-N 3.11Å; A1181-R1183 VanDerWaalsContact C-N 3.29Å; A1181-R1183 PolarHBondContact O-N 3.05Å; R1183-L1185 VanDerWaalsContact C-N 3.29Å; R1183-L1185 PolarHBondContact O-N 3.38Å; R1183-L1186 PolarHBondContact O-N 3.39Å; R1183-L1187 WeakPolarHBondContact O-CB 3.48Å; R1183-L1187 WeakPolarHBondContact O-CG 3.46Å; R1183-L1187 PolarHBondContact O-N 3.4Å; R1183-D1568 IonicContact CZ-OD1 2.83Å; R1183-D1568 IonicContact CZ-OD2 3.18Å; R1183-D1568 VanDerWaalsContact CZ-OD2 3.24Å; R1183-D1568 VanDerWaalsContact NH1-CG 3.32Å; R1183-D1568 IonicContact NH1-OD1 2.73Å; R1183-D1568 PolarHBondContact NH1-OD1 3Å; R1183-D1568 IonicContact NH1-OD2 3.03Å; R1183-D1568 PolarHBondContact NH1-OD2 2.83Å; R1183-D1568 VanDerWaalsContact NH1-OD2 3.08Å; R1183-D1568 VanDerWaalsContact NH2-CG 3.29Å; R1183-D1568 IonicContact NH2-OD1 2.71Å; R1183-D1568 IonicContact NH2-OD2 2.69Å; R1183-D1568 PolarHBondContact NH2-OD2 2.91Å |
| 1184 | T | 91.4 | Very high | 86.5 | Confident | 63 Ų | 63 | 23.6 Ų | 23.6 | 39% | 0.387 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.5 | -38.7 | -178.5 | -50.9 | 0 | 0 | 0 | 0 | 111 | L1135 Y1180 A1181 S1188 | L1135-T1184 HydrophobicContact CD1-CG2 3.76Å; L1135-T1184 HydrophobicContact CD2-CG2 3.86Å; Y1180-T1184 PolarHBondContact O-N 2.98Å; Y1180-T1184 PolarHBondContact O-OG1 2.88Å; A1181-T1184 PolarHBondContact O-N 3.01Å; T1184-S1188 VanDerWaalsContact O-CB 3.31Å; T1184-S1188 WeakPolarHBondContact O-CB 3.44Å; T1184-S1188 PolarHBondContact O-N 3.36Å |
| 1185 | L | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 174.8 | -75.5 | 166.9 | 0 | 0 | 0 | 113.2 | I1067 L1068 V1071 L1135 I1139 F1167 A1181 R1183 L1187 S1188 C1189 | I1067-L1185 HydrophobicContact CG2-CD1 4.09Å; I1067-L1185 HydrophobicContact CG2-CD2 3.37Å; I1067-L1185 HydrophobicContact CG2-CG 4.4Å; L1068-L1185 HydrophobicContact CB-CD1 4.29Å; L1068-L1185 HydrophobicContact CD1-CD1 4.04Å; V1071-L1185 HydrophobicContact CB-CD1 4.15Å; V1071-L1185 HydrophobicContact CG2-CD1 4.23Å; V1071-L1185 HydrophobicContact CG2-CD2 4.12Å; V1071-L1185 HydrophobicContact CG2-CG 4.31Å; L1135-L1185 HydrophobicContact CD2-CD2 3.67Å; L1135-L1185 HydrophobicContact CD2-CG 4.1Å; I1139-L1185 HydrophobicContact CD1-CD2 3.41Å; I1139-L1185 VanDerWaalsContact CD1-CD2 3.41Å; F1167-L1185 HydrophobicContact CD1-CB 4.28Å; F1167-L1185 HydrophobicContact CD1-CD1 4.43Å; F1167-L1185 HydrophobicContact CD2-CB 4.01Å; F1167-L1185 HydrophobicContact CE1-CB 4.06Å; F1167-L1185 HydrophobicContact CE1-CD1 3.83Å; F1167-L1185 HydrophobicContact CE1-CG 4.49Å; F1167-L1185 HydrophobicContact CE2-CB 3.77Å; F1167-L1185 HydrophobicContact CG-CB 4.26Å; F1167-L1185 HydrophobicContact CZ-CB 3.8Å; F1167-L1185 HydrophobicContact CZ-CD1 4.07Å; F1167-L1185 HydrophobicContact CZ-CD2 4.4Å; F1167-L1185 HydrophobicContact CZ-CG 4.33Å; A1181-L1185 VanDerWaalsContact O-CB 3.23Å; A1181-L1185 WeakPolarHBondContact O-CB 3.35Å; A1181-L1185 WeakPolarHBondContact O-CD1 3.43Å; A1181-L1185 WeakPolarHBondContact O-CG 3.48Å; A1181-L1185 PolarHBondContact O-N 3.45Å; R1183-L1185 VanDerWaalsContact C-N 3.29Å; R1183-L1185 PolarHBondContact O-N 3.38Å; L1185-L1187 VanDerWaalsContact C-N 3.31Å; L1185-L1187 PolarHBondContact O-N 2.78Å; L1185-S1188 PolarHBondContact O-N 3.38Å; L1185-C1189 WeakPolarHBondContact O-CB 3.42Å; L1185-C1189 PolarHBondContact O-N 3.47Å; L1185-C1189 PolarHBondContact O-SG 3.15Å |
| 1186 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.7 | -177.6 | 58.4 | 0 | 0 | 0 | 111.8 | L1164 F1167 A1168 W1171 A1182 R1183 L1190 L1382 V1385 | L1164-L1186 HydrophobicContact CB-CD1 4.08Å; L1164-L1186 HydrophobicContact CD2-CD1 4.04Å; F1167-L1186 HydrophobicContact CB-CB 3.96Å; F1167-L1186 HydrophobicContact CD2-CB 4.32Å; A1168-L1186 HydrophobicContact CB-CD2 4.48Å; W1171-L1186 HydrophobicContact CE3-CD2 3.77Å; W1171-L1186 HydrophobicContact CZ3-CB 4.34Å; W1171-L1186 HydrophobicContact CZ3-CD2 3.96Å; A1182-L1186 VanDerWaalsContact O-CB 3.3Å; A1182-L1186 WeakPolarHBondContact O-CB 3.36Å; A1182-L1186 PolarHBondContact O-N 2.87Å; A1182-L1186 VanDerWaalsContact O-N 3.1Å; R1183-L1186 PolarHBondContact O-N 3.39Å; L1186-L1190 HydrophobicContact CD1-CD1 4.23Å; L1186-L1190 HydrophobicContact CD1-CG 4.47Å; L1186-L1190 HydrophobicContact CG-CD1 4.19Å; L1186-L1190 WeakPolarHBondContact O-CB 3.44Å; L1186-L1190 WeakPolarHBondContact O-CD1 3.44Å; L1186-L1190 VanDerWaalsContact O-CG 3.24Å; L1186-L1190 WeakPolarHBondContact O-CG 3.43Å; L1186-L1190 PolarHBondContact O-N 3.16Å; L1186-L1382 HydrophobicContact CD1-CD2 3.83Å; L1186-L1382 HydrophobicContact CD2-CD2 4.12Å; L1186-V1385 HydrophobicContact CD2-CB 4.47Å; L1186-V1385 HydrophobicContact CD2-CG1 4.19Å; L1186-V1385 HydrophobicContact CD2-CG2 4.14Å; L1186-V1385 HydrophobicContact CG-CG1 4.36Å |
| 1187 | L | 90.5 | Very high | 85.8 | Confident | 45 Ų | 45 | 27.4 Ų | 27.4 | 24% | 0.236 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -51 | 175.8 | -69.4 | 170.3 | 0 | 0 | 0 | 111.5 | W1171 R1183 L1185 C1189 L1190 D1191 V1385 R1389 | W1171-L1187 HydrophobicContact CH2-CD1 4.38Å; W1171-L1187 HydrophobicContact CH2-CG 4.38Å; W1171-L1187 HydrophobicContact CZ3-CG 4.48Å; R1183-L1187 WeakPolarHBondContact O-CB 3.48Å; R1183-L1187 WeakPolarHBondContact O-CG 3.46Å; R1183-L1187 PolarHBondContact O-N 3.4Å; L1185-L1187 VanDerWaalsContact C-N 3.31Å; L1185-L1187 PolarHBondContact O-N 2.78Å; L1187-C1189 VanDerWaalsContact C-N 3.3Å; L1187-C1189 PolarHBondContact O-N 3.05Å; L1187-L1190 PolarHBondContact O-N 2.76Å; L1187-D1191 PolarHBondContact O-N 3.46Å; L1187-V1385 HydrophobicContact CD2-CG1 3.92Å; L1187-R1389 HydrophobicContact CD2-CB 4.17Å; L1187-R1389 HydrophobicContact CD2-CG 4.12Å |
| 1188 | S | 88.8 | Confident | 85.5 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -43 | 178.7 | -168.5 | 0 | 0 | 0 | 0 | 112 | L1135 T1184 L1185 L1190 D1191 Q1192 | L1135-S1188 PolarHBondContact O-OG 2.8Å; T1184-S1188 VanDerWaalsContact O-CB 3.31Å; T1184-S1188 WeakPolarHBondContact O-CB 3.44Å; T1184-S1188 PolarHBondContact O-N 3.36Å; L1185-S1188 PolarHBondContact O-N 3.38Å; S1188-L1190 PolarHBondContact O-N 3.13Å; S1188-D1191 PolarHBondContact O-N 3.38Å; S1188-Q1192 WeakPolarHBondContact O-CB 3.45Å; S1188-Q1192 VanDerWaalsContact O-CG 3.28Å; S1188-Q1192 WeakPolarHBondContact O-CG 3.35Å; S1188-Q1192 PolarHBondContact O-N 3.4Å; S1188-Q1192 PolarHBondContact OG-NE2 2.72Å |
| 1189 | C | 87.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | L1143 L1164 L1185 L1187 L1193 | L1143-C1189 HydrophobicContact CD1-CB 4.41Å; L1164-C1189 HydrophobicContact CD2-CB 3.56Å; L1185-C1189 WeakPolarHBondContact O-CB 3.42Å; L1185-C1189 PolarHBondContact O-N 3.47Å; L1185-C1189 PolarHBondContact O-SG 3.15Å; L1187-C1189 VanDerWaalsContact C-N 3.3Å; L1187-C1189 PolarHBondContact O-N 3.05Å; C1189-L1193 VanDerWaalsContact O-CG 3.29Å; C1189-L1193 WeakPolarHBondContact O-CG 3.18Å; C1189-L1193 PolarHBondContact O-N 2.94Å |
| 1190 | L | 86.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.2 | -33.4 | 179 | -73.4 | 169.9 | 0 | 0 | 0 | 112.9 | L1186 L1187 S1188 L1193 R1198 L1201 V1385 I1386 F1390 | L1186-L1190 HydrophobicContact CD1-CD1 4.23Å; L1186-L1190 HydrophobicContact CD1-CG 4.47Å; L1186-L1190 HydrophobicContact CG-CD1 4.19Å; L1186-L1190 WeakPolarHBondContact O-CB 3.44Å; L1186-L1190 WeakPolarHBondContact O-CD1 3.44Å; L1186-L1190 VanDerWaalsContact O-CG 3.24Å; L1186-L1190 WeakPolarHBondContact O-CG 3.43Å; L1186-L1190 PolarHBondContact O-N 3.16Å; L1187-L1190 PolarHBondContact O-N 2.76Å; S1188-L1190 PolarHBondContact O-N 3.13Å; L1190-L1193 HydrophobicContact CD2-CD1 4.48Å; L1190-R1198 PolarHBondContact O-NH1 3.41Å; L1190-L1201 HydrophobicContact CD2-CD1 4.3Å; L1190-V1385 HydrophobicContact CD1-CG1 3.79Å; L1190-I1386 HydrophobicContact CD1-CG1 4.09Å; L1190-I1386 HydrophobicContact CD2-CG1 4.21Å; L1190-F1390 HydrophobicContact CB-CE2 4Å; L1190-F1390 HydrophobicContact CB-CZ 4.21Å |
| 1191 | D | 85.2 | Confident | 83.7 | Confident | 56 Ų | 56 | 34 Ų | 34 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 177.4 | -65.7 | -25.3 | 0 | 0 | 0 | 111.2 | L1187 S1188 R1198 R1389 F1390 | L1187-D1191 PolarHBondContact O-N 3.46Å; S1188-D1191 PolarHBondContact O-N 3.38Å; D1191-R1198 PolarHBondContact O-NH1 3.34Å; D1191-R1389 IonicContact OD1-CZ 3.15Å; D1191-R1389 IonicContact OD1-NE 2.81Å; D1191-R1389 PolarHBondContact OD1-NE 2.9Å; D1191-R1389 IonicContact OD1-NH2 3.94Å; D1191-R1389 PolarHBondContact OD1-NH2 3.42Å; D1191-R1389 IonicContact OD2-CZ 3.6Å; D1191-R1389 IonicContact OD2-NE 2.74Å; D1191-R1389 PolarHBondContact OD2-NE 2.89Å; D1191-R1389 IonicContact OD2-NH2 2.65Å; D1191-R1389 PolarHBondContact OD2-NH2 3.16Å; D1191-F1390 WeakPolarHBondContact OD1-CZ 3.28Å |
| 1192 | Q | 83 | Confident | 83.3 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -77.5 | -14 | 179.2 | -68.6 | 177.8 | 33.2 | 0 | 0 | 114.9 | L1135 L1143 S1188 | L1135-Q1192 PolarHBondContact O-NE2 3.23Å; L1143-Q1192 HydrophobicContact CD1-CB 3.87Å; S1188-Q1192 WeakPolarHBondContact O-CB 3.45Å; S1188-Q1192 VanDerWaalsContact O-CG 3.28Å; S1188-Q1192 WeakPolarHBondContact O-CG 3.35Å; S1188-Q1192 PolarHBondContact O-N 3.4Å; S1188-Q1192 PolarHBondContact OG-NE2 2.72Å |
| 1193 | L | 79 | Confident | 82.7 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -72.2 | 149.1 | 174.9 | -81.5 | 174 | 0 | 0 | 0 | 112.1 | L1143 C1189 L1190 D1197 R1198 L1201 L1348 | L1143-L1193 HydrophobicContact CD2-CD2 4.31Å; C1189-L1193 VanDerWaalsContact O-CG 3.29Å; C1189-L1193 WeakPolarHBondContact O-CG 3.18Å; C1189-L1193 PolarHBondContact O-N 2.94Å; L1190-L1193 HydrophobicContact CD2-CD1 4.48Å; L1193-D1197 HydrophobicContact CB-CB 4.18Å; L1193-D1197 HydrophobicContact CD2-CB 3.85Å; L1193-D1197 HydrophobicContact CG-CB 4.41Å; L1193-R1198 HydrophobicContact CB-CG 4.17Å; L1193-R1198 PolarHBondContact O-NH1 3.13Å; L1193-L1201 HydrophobicContact CD1-CD1 4.36Å; L1193-L1348 HydrophobicContact CD1-CD1 3.77Å; L1193-L1348 HydrophobicContact CD1-CD2 4.06Å; L1193-L1348 HydrophobicContact CD2-CD1 3.87Å; L1193-L1348 HydrophobicContact CD2-CD2 4.13Å; L1193-L1348 HydrophobicContact CD2-CG 4.24Å; L1193-L1348 HydrophobicContact CG-CD1 4.49Å |
| 1194 | S | 78.9 | Confident | 81.8 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | trans | -67.6 | 158.9 | 174.1 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | D1196 D1197 R1198 | S1194-D1196 PolarHBondContact O-N 3.11Å; S1194-D1197 VanDerWaalsContact CB-OD2 3.27Å; S1194-D1197 WeakPolarHBondContact CB-OD2 3.36Å; S1194-D1197 PolarHBondContact N-OD2 2.96Å; S1194-D1197 PolarHBondContact O-N 3.06Å; S1194-D1197 PolarHBondContact OG-N 3.19Å; S1194-D1197 VanDerWaalsContact OG-N 3.14Å; S1194-D1197 PolarHBondContact OG-OD2 3.36Å; S1194-R1198 WeakPolarHBondContact O-CG 3.16Å; S1194-R1198 PolarHBondContact O-N 2.84Å | ||
| 1195 | L | 74.5 | Confident | 81.4 | Confident | 54 Ų | 54 | 37 Ų | 37 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.4 | -34.8 | 178.1 | -167.7 | 157.9 | 0 | 0 | 0 | 111.4 | K1199 D1486 | L1195-K1199 HydrophobicContact CD2-CD 4.28Å; L1195-K1199 VanDerWaalsContact CD2-NZ 3.26Å; L1195-K1199 WeakPolarHBondContact O-CG 3.49Å; L1195-K1199 PolarHBondContact O-N 2.83Å; L1195-K1199 VanDerWaalsContact O-N 3.09Å; L1195-D1486 WeakPolarHBondContact CD1-OD2 3.49Å |
| 1196 | D | 71.4 | Confident | 81.1 | Confident | 94 Ų | 94 | 38.7 Ų | 38.7 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -80.6 | -33.2 | 178.9 | -64.5 | -46.8 | 0 | 0 | 0 | 113.4 | S1194 R1198 K1199 L1200 | S1194-D1196 PolarHBondContact O-N 3.11Å; D1196-R1198 VanDerWaalsContact C-N 3.31Å; D1196-R1198 PolarHBondContact O-N 2.93Å; D1196-K1199 WeakPolarHBondContact O-CB 3.37Å; D1196-K1199 PolarHBondContact O-N 3.27Å; D1196-K1199 WeakPolarHBondContact OD1-CD 3.46Å; D1196-K1199 IonicContact OD1-NZ 3.95Å; D1196-K1199 PolarHBondContact OD1-NZ 3.01Å; D1196-L1200 PolarHBondContact O-N 3.1Å |
| 1197 | D | 73.4 | Confident | 80.4 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 168 | -63.5 | -56.8 | 0 | 0 | 0 | 110.9 | L1193 S1194 K1199 L1200 L1201 | L1193-D1197 HydrophobicContact CB-CB 4.18Å; L1193-D1197 HydrophobicContact CD2-CB 3.85Å; L1193-D1197 HydrophobicContact CG-CB 4.41Å; S1194-D1197 VanDerWaalsContact CB-OD2 3.27Å; S1194-D1197 WeakPolarHBondContact CB-OD2 3.36Å; S1194-D1197 PolarHBondContact N-OD2 2.96Å; S1194-D1197 PolarHBondContact O-N 3.06Å; S1194-D1197 PolarHBondContact OG-N 3.19Å; S1194-D1197 VanDerWaalsContact OG-N 3.14Å; S1194-D1197 PolarHBondContact OG-OD2 3.36Å; D1197-K1199 VanDerWaalsContact C-N 3.35Å; D1197-K1199 PolarHBondContact O-N 3.22Å; D1197-L1200 PolarHBondContact O-N 2.97Å; D1197-L1201 WeakPolarHBondContact O-CB 3.21Å; D1197-L1201 PolarHBondContact O-N 3.17Å |
| 1198 | R | 80.8 | Confident | 79.7 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 173.9 | -72.8 | -161.7 | -74.7 | -100.8 | 3.8 | 111.6 | L1190 D1191 L1193 S1194 D1196 L1201 V1202 D1486 | L1190-R1198 PolarHBondContact O-NH1 3.41Å; D1191-R1198 PolarHBondContact O-NH1 3.34Å; L1193-R1198 HydrophobicContact CB-CG 4.17Å; L1193-R1198 PolarHBondContact O-NH1 3.13Å; S1194-R1198 WeakPolarHBondContact O-CG 3.16Å; S1194-R1198 PolarHBondContact O-N 2.84Å; D1196-R1198 VanDerWaalsContact C-N 3.31Å; D1196-R1198 PolarHBondContact O-N 2.93Å; R1198-L1201 PolarHBondContact O-N 3.25Å; R1198-V1202 WeakPolarHBondContact O-CB 3.45Å; R1198-V1202 WeakPolarHBondContact O-CG2 3.22Å; R1198-V1202 PolarHBondContact O-N 3.38Å; R1198-D1486 IonicContact CZ-OD1 3.91Å; R1198-D1486 IonicContact NE-OD1 2.79Å; R1198-D1486 PolarHBondContact NE-OD1 3.09Å; R1198-D1486 VanDerWaalsContact NE-OD1 3.08Å; R1198-D1486 IonicContact NH2-OD1 2.75Å; R1198-D1486 PolarHBondContact NH2-OD1 2.96Å; R1198-D1486 IonicContact NH2-OD2 3.28Å; R1198-D1486 PolarHBondContact NH2-OD2 2.91Å |
| 1199 | K | 75.8 | Confident | 79.2 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 173.6 | -73 | 172.6 | -171 | 147.5 | 0 | 111.9 | L1195 D1196 D1197 L1201 V1202 T1203 | L1195-K1199 HydrophobicContact CD2-CD 4.28Å; L1195-K1199 VanDerWaalsContact CD2-NZ 3.26Å; L1195-K1199 WeakPolarHBondContact O-CG 3.49Å; L1195-K1199 PolarHBondContact O-N 2.83Å; L1195-K1199 VanDerWaalsContact O-N 3.09Å; D1196-K1199 WeakPolarHBondContact O-CB 3.37Å; D1196-K1199 PolarHBondContact O-N 3.27Å; D1196-K1199 WeakPolarHBondContact OD1-CD 3.46Å; D1196-K1199 IonicContact OD1-NZ 3.95Å; D1196-K1199 PolarHBondContact OD1-NZ 3.01Å; D1197-K1199 VanDerWaalsContact C-N 3.35Å; D1197-K1199 PolarHBondContact O-N 3.22Å; K1199-L1201 VanDerWaalsContact C-N 3.27Å; K1199-L1201 PolarHBondContact O-N 3Å; K1199-V1202 PolarHBondContact O-N 3.02Å; K1199-T1203 PolarHBondContact O-N 3.05Å; K1199-T1203 PolarHBondContact O-OG1 3.09Å; K1199-T1203 VanDerWaalsContact O-OG1 3.1Å |
| 1200 | L | 75.2 | Confident | 78.5 | Confident | 85 Ų | 85 | 41.8 Ų | 41.8 | 45% | 0.445 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 178.8 | -74 | 169.3 | 0 | 0 | 0 | 111.6 | D1196 D1197 T1203 Y1204 L1344 | D1196-L1200 PolarHBondContact O-N 3.1Å; D1197-L1200 PolarHBondContact O-N 2.97Å; L1200-T1203 PolarHBondContact O-N 3.22Å; L1200-Y1204 PolarHBondContact O-N 3.23Å; L1200-L1344 HydrophobicContact CD1-CD1 4.49Å |
| 1201 | L | 79.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 177.3 | -167.9 | 155.5 | 0 | 0 | 0 | 111.9 | L1164 L1190 L1193 D1197 R1198 K1199 Y1204 W1205 L1348 M1350 I1386 | L1164-L1201 HydrophobicContact CD1-CD1 3.5Å; L1164-L1201 VanDerWaalsContact CD1-CD1 3.5Å; L1190-L1201 HydrophobicContact CD2-CD1 4.3Å; L1193-L1201 HydrophobicContact CD1-CD1 4.36Å; D1197-L1201 WeakPolarHBondContact O-CB 3.21Å; D1197-L1201 PolarHBondContact O-N 3.17Å; R1198-L1201 PolarHBondContact O-N 3.25Å; K1199-L1201 VanDerWaalsContact C-N 3.27Å; K1199-L1201 PolarHBondContact O-N 3Å; L1201-Y1204 PolarHBondContact O-N 2.66Å; L1201-W1205 VanDerWaalsContact O-CD1 3.27Å; L1201-W1205 PolarHBondContact O-N 2.91Å; L1201-L1348 HydrophobicContact CD1-CD1 4.24Å; L1201-M1350 HydrophobicContact CB-CE 4.21Å; L1201-M1350 HydrophobicContact CG-CE 4.09Å; L1201-I1386 HydrophobicContact CD2-CD1 3.36Å |
| 1202 | V | 83.3 | Confident | 76.2 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -46 | 173.3 | 161 | 0 | 0 | 0 | 0 | 111.6 | R1198 K1199 Y1204 S1206 M1383 I1386 L1495 | R1198-V1202 WeakPolarHBondContact O-CB 3.45Å; R1198-V1202 WeakPolarHBondContact O-CG2 3.22Å; R1198-V1202 PolarHBondContact O-N 3.38Å; K1199-V1202 PolarHBondContact O-N 3.02Å; V1202-Y1204 PolarHBondContact O-N 3.31Å; V1202-S1206 WeakPolarHBondContact O-CB 3.46Å; V1202-S1206 PolarHBondContact O-N 2.87Å; V1202-S1206 PolarHBondContact O-OG 3.22Å; V1202-M1383 HydrophobicContact CB-CE 4.42Å; V1202-M1383 HydrophobicContact CG1-CE 4.13Å; V1202-M1383 HydrophobicContact CG2-CE 4.17Å; V1202-I1386 HydrophobicContact CG2-CD1 4.31Å; V1202-I1386 HydrophobicContact CG2-CG2 3.86Å; V1202-L1495 HydrophobicContact CG1-CD2 3.77Å |
| 1203 | T | 77.8 | Confident | 74.1 | Confident | 87 Ų | 87 | 47.5 Ų | 47.5 | 53% | 0.534 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | K1199 L1200 S1206 | K1199-T1203 PolarHBondContact O-N 3.05Å; K1199-T1203 PolarHBondContact O-OG1 3.09Å; K1199-T1203 VanDerWaalsContact O-OG1 3.1Å; L1200-T1203 PolarHBondContact O-N 3.22Å; T1203-S1206 PolarHBondContact O-OG 3.17Å; T1203-S1206 VanDerWaalsContact O-OG 3.07Å |
| 1204 | Y | 74.7 | Confident | 71.8 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | 178.6 | 176.2 | -99 | 0 | 0 | 0 | 113.1 | L1200 L1201 V1202 L1208 M1350 S1351 | L1200-Y1204 PolarHBondContact O-N 3.23Å; L1201-Y1204 PolarHBondContact O-N 2.66Å; V1202-Y1204 PolarHBondContact O-N 3.31Å; Y1204-L1208 HydrophobicContact CE1-CD1 4Å; Y1204-M1350 HydrophobicContact CD1-CE 3.39Å; Y1204-M1350 HydrophobicContact CD1-SD 3.89Å; Y1204-M1350 HydrophobicContact CE1-CE 4.26Å; Y1204-M1350 HydrophobicContact CE1-SD 4.2Å; Y1204-M1350 HydrophobicContact CG-CE 3.65Å; Y1204-S1351 WeakPolarHBondContact CE2-O 3.42Å |
| 1205 | W | 82.6 | Confident | 69.4 | Low | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.9 | -25.5 | -175.4 | -74.5 | 106.4 | 0 | 0 | 0 | 113.9 | N1165 L1201 L1208 L1375 I1378 A1379 L1382 M1383 | N1165-W1205 WeakPolarHBondContact OD1-CH2 3.45Å; N1165-W1205 WeakPolarHBondContact OD1-CZ2 3.46Å; L1201-W1205 VanDerWaalsContact O-CD1 3.27Å; L1201-W1205 PolarHBondContact O-N 2.91Å; W1205-L1208 HydrophobicContact CE3-CB 4.48Å; W1205-L1208 HydrophobicContact CE3-CD1 3.71Å; W1205-L1208 HydrophobicContact CH2-CD1 4.45Å; W1205-L1208 HydrophobicContact CZ3-CD1 3.66Å; W1205-L1208 PolarHBondContact O-N 3.24Å; W1205-L1375 HydrophobicContact CH2-CD2 4.31Å; W1205-I1378 HydrophobicContact CE3-CG2 4.44Å; W1205-I1378 HydrophobicContact CH2-CG2 3.78Å; W1205-I1378 HydrophobicContact CZ2-CG2 4.38Å; W1205-I1378 HydrophobicContact CZ3-CB 4.27Å; W1205-I1378 HydrophobicContact CZ3-CG2 3.81Å; W1205-A1379 HydrophobicContact CE3-CB 3.79Å; W1205-A1379 HydrophobicContact CZ3-CB 4.38Å; W1205-L1382 HydrophobicContact CD2-CD1 3.61Å; W1205-L1382 HydrophobicContact CE3-CD1 4.16Å; W1205-L1382 HydrophobicContact CG-CD1 3.97Å; W1205-L1382 HydrophobicContact CH2-CD1 4.33Å; W1205-L1382 HydrophobicContact CZ2-CD1 3.8Å; W1205-L1382 HydrophobicContact CZ3-CD1 4.49Å; W1205-M1383 HydrophobicContact CB-CG 4.15Å; W1205-M1383 HydrophobicContact CB-SD 3.57Å; W1205-M1383 VanDerWaalsContact CB-SD 3.57Å |
| 1206 | S | 83.1 | Confident | 67.1 | Low | 34 Ų | 34 | 56.8 Ų | 56.8 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 173.5 | 56.7 | 0 | 0 | 0 | 0 | 113 | V1202 T1203 L1208 L1209 L1495 | V1202-S1206 WeakPolarHBondContact O-CB 3.46Å; V1202-S1206 PolarHBondContact O-N 2.87Å; V1202-S1206 PolarHBondContact O-OG 3.22Å; T1203-S1206 PolarHBondContact O-OG 3.17Å; T1203-S1206 VanDerWaalsContact O-OG 3.07Å; S1206-L1208 PolarHBondContact O-N 3.07Å; S1206-L1208 VanDerWaalsContact O-N 3.17Å; S1206-L1209 WeakPolarHBondContact O-CB 3.5Å; S1206-L1209 PolarHBondContact O-N 3.25Å; S1206-L1209 VanDerWaalsContact O-N 3.08Å; S1206-L1495 VanDerWaalsContact CB-CD1 3.43Å |
| 1207 | A | 76.4 | Confident | 65.1 | Low | 84 Ų | 84 | 60.3 Ų | 60.3 | 69% | 0.694 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1208 | L | 76.4 | Confident | 63 | Low | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.2 | 176.4 | -65.6 | 172.2 | 0 | 0 | 0 | 113.4 | Y1204 W1205 S1206 Q1376 A1379 | Y1204-L1208 HydrophobicContact CE1-CD1 4Å; W1205-L1208 HydrophobicContact CE3-CB 4.48Å; W1205-L1208 HydrophobicContact CE3-CD1 3.71Å; W1205-L1208 HydrophobicContact CH2-CD1 4.45Å; W1205-L1208 HydrophobicContact CZ3-CD1 3.66Å; W1205-L1208 PolarHBondContact O-N 3.24Å; S1206-L1208 PolarHBondContact O-N 3.07Å; S1206-L1208 VanDerWaalsContact O-N 3.17Å; L1208-Q1376 WeakPolarHBondContact O-CG 3.39Å; L1208-A1379 HydrophobicContact CB-CB 3.84Å |
| 1209 | L | 79 | Confident | 60.5 | Low | 20 Ų | 20 | 73.2 Ų | 73.2 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -81.5 | 140 | 172.5 | -68 | 177.4 | 0 | 0 | 0 | 111.8 | S1206 A1379 I1380 M1383 L1495 | S1206-L1209 WeakPolarHBondContact O-CB 3.5Å; S1206-L1209 PolarHBondContact O-N 3.25Å; S1206-L1209 VanDerWaalsContact O-N 3.08Å; L1209-A1379 HydrophobicContact CD2-CB 4.09Å; L1209-I1380 HydrophobicContact CD2-CG1 3.92Å; L1209-M1383 HydrophobicContact CD1-CB 4.46Å; L1209-M1383 HydrophobicContact CD1-CG 4.2Å; L1209-M1383 HydrophobicContact CD2-CB 4.39Å; L1209-M1383 HydrophobicContact CD2-CG 4.19Å; L1209-M1383 HydrophobicContact CG-CG 4.31Å; L1209-L1495 HydrophobicContact CD1-CD1 3.59Å |
| 1210 | P | 72.6 | Confident | 58.2 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | trans | -60.1 | 132.9 | 175.5 | -24.6 | 33 | 0 | 0 | 0 | 113.6 | F1212 Q1376 I1380 L1550 | P1210-F1212 HydrophobicContact CB-CD2 4.33Å; P1210-F1212 HydrophobicContact CB-CE2 3.91Å; P1210-F1212 WeakPolarHBondContact O-CD2 3.45Å; P1210-F1212 PolarHBondContact O-N 3.48Å; P1210-Q1376 HydrophobicContact CG-CB 4.35Å; P1210-Q1376 HydrophobicContact CG-CG 4.43Å; P1210-I1380 HydrophobicContact CG-CD1 4.31Å; P1210-L1550 HydrophobicContact CB-CD2 4.16Å; P1210-L1550 HydrophobicContact CG-CD2 3.39Å | ||
| 1211 | P | 65 | Low | 56 | Low | 92 Ų | 92 | 80.1 Ų | 80.1 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | trans | -76.9 | 91.9 | -179.3 | 29.8 | -34.7 | 0 | 0 | 0 | 112.3 | A1213 | P1211-A1213 PolarHBondContact O-N 3.34Å; P1211-A1213 VanDerWaalsContact O-N 3.09Å | ||
| 1212 | F | 57.9 | Low | 53.4 | Low | 65 Ų | 65 | 85.2 Ų | 85.2 | 29% | 0.285 | 47% | 0.469 | S | S | . | . | trans | -77 | 88.3 | 171.1 | -73.9 | -83.6 | 0 | 0 | 0 | 111.3 | P1210 L1214 Q1501 C1502 A1505 | P1210-F1212 HydrophobicContact CB-CD2 4.33Å; P1210-F1212 HydrophobicContact CB-CE2 3.91Å; P1210-F1212 WeakPolarHBondContact O-CD2 3.45Å; P1210-F1212 PolarHBondContact O-N 3.48Å; F1212-L1214 PolarHBondContact O-N 3.18Å; F1212-Q1501 HydrophobicContact CB-CB 4.11Å; F1212-Q1501 HydrophobicContact CD2-CB 4.06Å; F1212-Q1501 HydrophobicContact CG-CB 4.08Å; F1212-C1502 HydrophobicContact CE2-CB 4.26Å; F1212-A1505 HydrophobicContact CE1-CB 3.89Å; F1212-A1505 HydrophobicContact CZ-CB 3.64Å | ||
| 1213 | A | 38.5 | Very low | 50.7 | Low | 85 Ų | 85 | 93 Ų | 93 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | trans | -54.7 | 131.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1211 T1215 | P1211-A1213 PolarHBondContact O-N 3.34Å; P1211-A1213 VanDerWaalsContact O-N 3.09Å; A1213-T1215 PolarHBondContact O-N 3.3Å; A1213-T1215 VanDerWaalsContact O-N 3.15Å | ||
| 1214 | L | 31 | Very low | 48.2 | Very low | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | trans | -76.8 | 95.9 | 173 | -86.9 | 83 | 0 | 0 | 0 | 111 | F1212 N1216 | F1212-L1214 PolarHBondContact O-N 3.18Å; L1214-N1216 PolarHBondContact O-N 2.82Å | ||
| 1215 | T | 28.1 | Very low | 45.9 | Very low | 119 Ų | 119 | 106.9 Ų | 106.9 | 73% | 0.73 | 55% | 0.554 | S | S | * | * | trans | -75.5 | 39.7 | 170.5 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | A1213 Q1217 | A1213-T1215 PolarHBondContact O-N 3.3Å; A1213-T1215 VanDerWaalsContact O-N 3.15Å; T1215-Q1217 PolarHBondContact O-N 3.11Å; T1215-Q1217 VanDerWaalsContact O-N 3.14Å | ||
| 1216 | N | 26.9 | Very low | 43.2 | Very low | 103 Ų | 103 | 114.5 Ų | 114.5 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | trans | -87 | 31.8 | -175.1 | -130.5 | 30.1 | 0 | 0 | 0 | 113.9 | L1214 K1218 | L1214-N1216 PolarHBondContact O-N 2.82Å; N1216-K1218 PolarHBondContact O-N 3.13Å | ||
| 1217 | Q | 29 | Very low | 40.4 | Very low | 168 Ų | 168 | 120.7 Ų | 120.7 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -67.4 | -16.5 | -178.8 | -78.4 | -173.5 | -18.1 | 0 | 0 | 114.3 | T1215 Q1219 | T1215-Q1217 PolarHBondContact O-N 3.11Å; T1215-Q1217 VanDerWaalsContact O-N 3.14Å; Q1217-Q1219 PolarHBondContact O-N 2.88Å |
| 1218 | K | 28.9 | Very low | 37.9 | Very low | 185 Ų | 185 | 125.8 Ų | 125.8 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -78.9 | -7.5 | -175.6 | -74.4 | -170.7 | 174.6 | -178.7 | 0 | 116 | N1216 | N1216-K1218 PolarHBondContact O-N 3.13Š|
| 1219 | Q | 28.8 | Very low | 35.5 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -97.8 | -11.9 | 176.7 | -80.4 | -174.8 | -33.2 | 0 | 0 | 115 | Q1217 | Q1217-Q1219 PolarHBondContact O-N 2.88Š|
| 1220 | Q | 27.7 | Very low | 32.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -86.4 | -9.8 | 176.5 | -76.3 | -171.2 | -17 | 0 | 0 | 114.6 | ||
| 1221 | Q | 28.1 | Very low | 30.6 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -80.5 | -21.9 | 176.6 | -72.8 | -176.2 | -28.8 | 0 | 0 | 113.4 | Q1223 | Q1221-Q1223 PolarHBondContact O-N 2.9Š|
| 1222 | S | 26 | Very low | 28.7 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -6.3 | -176.1 | -50.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1223 | Q | 27.1 | Very low | 27 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 7.3 | -175.1 | -116.4 | 176.3 | -4.5 | 0 | 0 | 114.4 | Q1221 | Q1221-Q1223 PolarHBondContact O-N 2.9Š|
| 1224 | R | 25.2 | Very low | 26.3 | Very low | 224 Ų | 224 | 153.7 Ų | 153.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -100 | 17.2 | -178.9 | -82.4 | -169.7 | 169.9 | -165.6 | -1.7 | 115.4 | ||
| 1225 | Q | 26.2 | Very low | 26 | Very low | 190 Ų | 190 | 153.5 Ų | 153.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -116.5 | 10.5 | -179.8 | -80.6 | -169.4 | -25.1 | 0 | 0 | 115.5 | ||
| 1226 | L | 25.1 | Very low | 25.8 | Very low | 165 Ų | 165 | 155.6 Ų | 155.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -129.2 | 3.7 | -175.4 | -105.6 | 165.7 | 0 | 0 | 0 | 116.6 | ||
| 1227 | I | 24.2 | Very low | 25.6 | Very low | 164 Ų | 164 | 162.1 Ų | 162.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -140.3 | 79.9 | 169.3 | -50.1 | 179.1 | 0 | 0 | 0 | 110 | ||
| 1228 | Q | 24.1 | Very low | 25.3 | Very low | 191 Ų | 191 | 164.4 Ų | 164.4 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -161.9 | 73.5 | 153.7 | -120.6 | 175.7 | 4.3 | 0 | 0 | 112.8 | ||||
| 1229 | Q | 25.3 | Very low | 25 | Very low | 187 Ų | 187 | 160.2 Ų | 160.2 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -126.3 | 88.4 | 149.4 | -84.1 | -168.9 | -19.7 | 0 | 0 | 107.9 | ||||
| 1230 | N | 24.8 | Very low | 24.8 | Very low | 149 Ų | 149 | 164.3 Ų | 164.3 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 172 | 145.2 | 145 | -90 | -24 | 0 | 0 | 0 | 111.8 | ||
| 1231 | S | 25.4 | Very low | 24.6 | Very low | 118 Ų | 118 | 165.8 Ų | 165.8 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | 61 | 144.1 | 167.2 | 41.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1232 | L | 23.8 | Very low | 24.3 | Very low | 151 Ų | 151 | 166.1 Ų | 166.1 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | trans | -91.6 | -179.8 | 178.8 | -113.9 | 69.9 | 0 | 0 | 0 | 112.1 | ||||
| 1233 | D | 23.9 | Very low | 24.2 | Very low | 140 Ų | 140 | 167 Ų | 167 | 75% | 0.749 | 84% | 0.836 | S | S | * | * | trans | 65.4 | 82.8 | 157.3 | -57.3 | -19.8 | 0 | 0 | 0 | 119.2 | ||||
| 1234 | S | 23.9 | Very low | 24 | Very low | 130 Ų | 130 | 165.4 Ų | 165.4 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | -178.9 | 142.2 | 109.4 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1235 | A | 23.3 | Very low | 24 | Very low | 91 Ų | 91 | 163.1 Ų | 163.1 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -134.7 | 101.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1236 | N | 24.6 | Very low | 23.8 | Very low | 163 Ų | 163 | 161.6 Ų | 161.6 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | 160.8 | 105.2 | 137.7 | -86.4 | -34.4 | 0 | 0 | 0 | 112.2 | ||||
| 1237 | R | 22.2 | Very low | 23.7 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | 175.9 | 108.6 | 145.2 | -102.4 | 169.2 | -172.1 | 178.1 | 5.1 | 109.8 | ||||
| 1238 | F | 22.1 | Very low | 23.7 | Very low | 216 Ų | 216 | 157.7 Ų | 157.7 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -162.5 | 89.3 | 155.5 | -100.2 | -62.2 | 0 | 0 | 0 | 109.4 | ||||
| 1239 | S | 22.7 | Very low | 23.8 | Very low | 97 Ų | 97 | 155.3 Ų | 155.3 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -154.8 | 112.3 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1240 | Y | 24.9 | Very low | 24 | Very low | 231 Ų | 231 | 153 Ų | 153 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 64.2 | 106.1 | 171.2 | -53.7 | -72.9 | 0 | 0 | 0 | 118.1 | ||||
| 1241 | Q | 23.3 | Very low | 24.3 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -127.7 | 87.8 | 152.7 | -82.1 | -173.2 | -56.7 | 0 | 0 | 108.6 | ||||
| 1242 | I | 22.9 | Very low | 24.4 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -148.1 | 92.9 | 144.8 | -57.9 | -172.4 | 0 | 0 | 0 | 106.6 | ||||
| 1243 | I | 23.4 | Very low | 24.5 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -175.2 | 158 | 157.5 | -97.6 | 154 | 0 | 0 | 0 | 104.4 | ||
| 1244 | D | 23.3 | Very low | 24.6 | Very low | 144 Ų | 144 | 154.8 Ų | 154.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 63 | 79.1 | -179.2 | -53.7 | -26.4 | 0 | 0 | 0 | 117 | ||||
| 1245 | I | 24.3 | Very low | 24.8 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -119.1 | 66.8 | 144.2 | -51.4 | -177.7 | 0 | 0 | 0 | 108.7 | ||||
| 1246 | L | 22.4 | Very low | 25.1 | Very low | 158 Ų | 158 | 158.3 Ų | 158.3 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -157 | 113.5 | 150.1 | -111.6 | 171.5 | 0 | 0 | 0 | 108.7 | ||
| 1247 | A | 23.5 | Very low | 25.3 | Very low | 86 Ų | 86 | 155.1 Ų | 155.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 49.8 | 89.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1248 | H | 24.8 | Very low | 25.5 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | -148.7 | 121.4 | 116.5 | -113.8 | -70 | 0 | 0 | 0 | 112.5 | |||||
| 1249 | N | 24.7 | Very low | 25.6 | Very low | 142 Ų | 142 | 151.1 Ų | 151.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -81.7 | 157 | 160 | -97.1 | -20.4 | 0 | 0 | 0 | 109.6 | ||||
| 1250 | N | 30.7 | Very low | 25.7 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 74.2 | 90.5 | 164.1 | -56.9 | -11 | 0 | 0 | 0 | 118 | ||||
| 1251 | H | 29.7 | Very low | 25.7 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | 28.3 | 106.9 | 117.2 | -74.3 | -71.2 | 0 | 0 | 0 | 117.7 | |||||
| 1252 | T | 27.4 | Very low | 25.8 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 65.3 | 106.2 | 77.5 | 67.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1253 | E | 27.3 | Very low | 26.1 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | -159.1 | 119 | 109.9 | -100.4 | -171.8 | -160.1 | 0 | 0 | 108 | |||||
| 1254 | E | 25.2 | Very low | 26.2 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | 69.3 | 100.6 | 90.8 | -88.8 | -140.7 | 172.9 | 0 | 0 | 116.1 | |||||
| 1255 | K | 28.7 | Very low | 26.1 | Very low | 148 Ų | 148 | 144 Ų | 144 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | 175.1 | 140.6 | 99.2 | -97.6 | 153.1 | -173.7 | 106.4 | 0 | 115.2 | |||||
| 1256 | I | 29.3 | Very low | 26.2 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 65.2 | 132.5 | 136.6 | -69.2 | 168.6 | 0 | 0 | 0 | 118.9 | ||||
| 1257 | V | 28.8 | Very low | 26.4 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 58% | 0.582 | 74% | 0.742 | S | S | * | * | cis | -173.6 | 144.6 | -15.5 | 93.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1258 | R | 26.9 | Very low | 26.6 | Very low | 214 Ų | 214 | 142.2 Ų | 142.2 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 57.3 | 162 | 155.4 | -64.1 | 171.7 | -173.1 | 155 | 0.2 | 118.4 | ||||
| 1259 | K | 24 | Very low | 26.7 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 68% | 0.683 | 74% | 0.739 | S | S | * | * | cis | -167.3 | 159.4 | -20.9 | -111.3 | 176.8 | 152.6 | -147.4 | 0 | 108.8 | ||||
| 1260 | Q | 25.4 | Very low | 27 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | 50.4 | 110.9 | 141 | -66.6 | -178.7 | -95.6 | 0 | 0 | 121.6 | ||||
| 1261 | S | 24.8 | Very low | 26.7 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | 49.8 | 122.5 | 125.4 | 66.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1262 | L | 24.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | 51.2 | 131 | 153.4 | -77.3 | 86.5 | 0 | 0 | 0 | 119.6 | ||||
| 1263 | P | 28.6 | Very low | 26.6 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 143.1 | 179.1 | 34 | -34.8 | 0 | 0 | 0 | 113 | ||
| 1264 | S | 25.3 | Very low | 26.4 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 146.8 | 161.2 | 57 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1265 | M | 23 | Very low | 26.4 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 156.7 | -177.4 | -140.6 | -174.1 | -174.9 | 0 | 0 | 113.6 | ||
| 1266 | N | 25.5 | Very low | 26.3 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | 69.1 | 126.1 | 159.8 | -54.7 | -32.7 | 0 | 0 | 0 | 118.7 | ||||
| 1267 | G | 27.4 | Very low | 26.2 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 169.3 | 94.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1268 | L | 26.1 | Very low | 26.1 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -58.8 | 165.6 | -173.1 | -82.8 | 72.8 | 0 | 0 | 0 | 116.4 | ||||
| 1269 | D | 27.4 | Very low | 26 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 58% | 0.578 | 75% | 0.746 | S | S | * | * | trans | 89.4 | 110.7 | 138.4 | -90.1 | -6.1 | 0 | 0 | 0 | 121.5 | ||||
| 1270 | K | 31.5 | Very low | 26.1 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | trans | 76.7 | 151.4 | 131.3 | -66.8 | 163.4 | -174.5 | 148.4 | 0 | 119.5 | ||||
| 1271 | N | 25 | Very low | 26 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | cis | -172.8 | 170.6 | -36.8 | -130.5 | 42.1 | 0 | 0 | 0 | 107.9 | ||||
| 1272 | D | 27 | Very low | 26.1 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | trans | 53.6 | 102.4 | 151.6 | -54.1 | -34.6 | 0 | 0 | 0 | 119.4 | ||||
| 1273 | K | 27.4 | Very low | 26.3 | Very low | 215 Ų | 215 | 143.3 Ų | 143.3 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | -152.4 | 112.9 | 98.1 | -104 | 161 | -170.9 | 175.2 | 0 | 112.1 | |||||
| 1274 | S | 23.4 | Very low | 26.1 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | trans | -116.5 | 169.3 | 163.7 | 58 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1275 | N | 24.9 | Very low | 26.2 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 145.6 | 175 | -54.9 | -23 | 0 | 0 | 0 | 115.2 | ||||
| 1276 | E | 26.7 | Very low | 26.1 | Very low | 131 Ų | 131 | 145 Ų | 145 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | cis | -148.1 | -175.6 | 7.9 | -141.2 | -177 | 156.5 | 0 | 0 | 113.2 | K1278 | E1276-K1278 WeakPolarHBondContact OE1-CE 3.35Å; E1276-K1278 IonicContact OE1-NZ 3.21Å; E1276-K1278 PolarHBondContact OE1-NZ 2.82Å | ||
| 1277 | L | 27.2 | Very low | 26.1 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 74.8 | 87.6 | 177.7 | -61.6 | 151 | 0 | 0 | 0 | 113.9 | ||||
| 1278 | K | 26 | Very low | 25.9 | Very low | 152 Ų | 152 | 148 Ų | 148 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | 65.6 | 97.2 | 61 | -58 | 170.9 | 168.6 | 162.7 | 0 | 114.1 | E1276 | E1276-K1278 WeakPolarHBondContact OE1-CE 3.35Å; E1276-K1278 IonicContact OE1-NZ 3.21Å; E1276-K1278 PolarHBondContact OE1-NZ 2.82Å | |||
| 1279 | N | 26.2 | Very low | 25.8 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | -176.1 | 93.3 | 129.4 | -97 | -14.7 | 0 | 0 | 0 | 110.9 | |||||
| 1280 | L | 25 | Very low | 25.6 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -163.6 | 93.3 | 161.9 | -115.6 | 166.4 | 0 | 0 | 0 | 110.5 | ||||
| 1281 | S | 23.9 | Very low | 25.2 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -145.5 | 144.8 | 164.7 | 54 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1282 | N | 26.9 | Very low | 25.3 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 92.3 | 90.9 | -173.5 | -55.3 | -9 | 0 | 0 | 0 | 116.1 | ||||
| 1283 | K | 28.4 | Very low | 25.1 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | -160.3 | 89.2 | 126.4 | -115.5 | 177.7 | -177.2 | -178.1 | 0 | 111.5 | |||||
| 1284 | D | 23.3 | Very low | 24.8 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 128.1 | 153.9 | -67 | -70.1 | 0 | 0 | 0 | 108.8 | ||||
| 1285 | A | 27 | Very low | 25.1 | Very low | 81 Ų | 81 | 146 Ų | 146 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -153.6 | 53.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1287 | A1285-V1287 PolarHBondContact O-N 2.94Å; A1285-V1287 VanDerWaalsContact O-N 3.15Å | ||
| 1286 | F | 21.1 | Very low | 25 | Very low | 209 Ų | 209 | 143.5 Ų | 143.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -65.4 | 110.5 | 168.3 | -100.5 | -90.3 | 0 | 0 | 0 | 109.7 | ||||
| 1287 | V | 26.9 | Very low | 25.1 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 97.4 | 171.1 | 178.6 | 0 | 0 | 0 | 0 | 104.8 | A1285 | A1285-V1287 PolarHBondContact O-N 2.94Å; A1285-V1287 VanDerWaalsContact O-N 3.15Å | ||
| 1288 | Q | 22.8 | Very low | 24.9 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | 60.3 | 98.6 | 79.6 | -171.5 | -170.9 | 14.7 | 0 | 0 | 112.1 | |||||
| 1289 | L | 24.9 | Very low | 24.8 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -172.5 | 130.7 | 131.6 | -104.5 | 162.7 | 0 | 0 | 0 | 110.9 | ||||
| 1290 | S | 22 | Very low | 24.8 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 142.3 | 166.1 | 49.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1291 | S | 23.1 | Very low | 24.8 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 51.8 | 124.6 | 164.3 | 59.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1292 | T | 26.5 | Very low | 24.9 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | -158 | 106.1 | 119.3 | 18.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1293 | T | 22.7 | Very low | 24.9 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -18.6 | 162.8 | 146.4 | -4.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1294 | I | 22.9 | Very low | 24.8 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 80.4 | 135.1 | 159 | -57 | 148.5 | 0 | 0 | 0 | 112.9 | ||||
| 1295 | I | 28 | Very low | 25.1 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | cis | -129.4 | 148.9 | 43 | -63.3 | 163.7 | 0 | 0 | 0 | 113.6 | ||||
| 1296 | S | 23 | Very low | 25.1 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -104.9 | 146.6 | 164.5 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1297 | N | 28.4 | Very low | 25.5 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -164.3 | 165.8 | 145 | -105.3 | -12.6 | 0 | 0 | 0 | 112.7 | ||||
| 1298 | T | 23.3 | Very low | 25.6 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -115.3 | 154.7 | -165.8 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1299 | T | 23.7 | Very low | 25.9 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | 50.8 | 117.4 | 149.9 | 54 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1300 | T | 27.4 | Very low | 25.9 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | -165.2 | 166.8 | 107.1 | 12.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1301 | T | 25.1 | Very low | 26.3 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -52.5 | 147.2 | -178.1 | 50.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1302 | N | 25.3 | Very low | 26.6 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | 72.2 | 145 | 132.7 | -83.5 | 47.5 | 0 | 0 | 0 | 123.2 | ||||
| 1303 | D | 26.1 | Very low | 26.5 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | 77.5 | 112.5 | 139.4 | -63.5 | -19.3 | 0 | 0 | 0 | 121.8 | ||||
| 1304 | I | 27.7 | Very low | 26.8 | Very low | 140 Ų | 140 | 138 Ų | 138 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | 95.3 | 114.5 | 118.3 | -75.4 | 175.4 | 0 | 0 | 0 | 119.9 | |||||
| 1305 | I | 29.5 | Very low | 26.9 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | 87.2 | 104.9 | 140.4 | -78.5 | 178.4 | 0 | 0 | 0 | 121.3 | ||||
| 1306 | D | 26.8 | Very low | 26.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | 78.5 | 148 | 122.4 | -52.6 | -8.9 | 0 | 0 | 0 | 124.8 | |||||
| 1307 | D | 29.1 | Very low | 27 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 68.5 | 142.7 | 154.3 | -62 | -18 | 0 | 0 | 0 | 121.4 | ||||
| 1308 | E | 29.5 | Very low | 26.9 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | cis | -151.2 | 142.5 | -2.4 | -130.5 | -171.9 | 156.4 | 0 | 0 | 114.7 | ||||
| 1309 | V | 28.8 | Very low | 26.9 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | trans | 28.5 | 119.9 | 141.7 | 177.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1310 | N | 24.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 13 | 138.6 | 138.1 | -54.1 | -60.1 | 0 | 0 | 0 | 123.6 | ||||
| 1311 | Q | 30.9 | Very low | 26.9 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -178.9 | 150.1 | 132.6 | -97.7 | 154.5 | 93 | 0 | 0 | 108.6 | ||||
| 1312 | Q | 28.6 | Very low | 27.3 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | cis | -153.9 | 130.1 | -18.1 | -106.5 | 165.5 | 11.1 | 0 | 0 | 104.8 | ||||
| 1313 | L | 25.1 | Very low | 27.4 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | 67 | 129.9 | 80.2 | -83.9 | 170.1 | 0 | 0 | 0 | 117.4 | |||||
| 1314 | I | 28.5 | Very low | 27.4 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 92.2 | 147 | 149 | -67.4 | 162.5 | 0 | 0 | 0 | 119.4 | ||||
| 1315 | S | 24.4 | Very low | 27.3 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -76.6 | -174.4 | -171.8 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1316 | D | 26 | Very low | 27.1 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | cis | -175.6 | 170.8 | 41.7 | -158.5 | 7.3 | 0 | 0 | 0 | 114.1 | ||||
| 1317 | K | 28.8 | Very low | 27 | Very low | 156 Ų | 156 | 143 Ų | 143 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 70 | 153.1 | 156.3 | -75.2 | 157.4 | 179.1 | 114.9 | 0 | 120.8 | ||||
| 1318 | Q | 25.7 | Very low | 26.6 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | cis | -168.2 | 146 | -31.9 | -120.8 | 174.5 | 2 | 0 | 0 | 111.6 | ||||
| 1319 | Q | 23.6 | Very low | 26.4 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 47.3 | 131.4 | 145.9 | -69.3 | 171.1 | 2.9 | 0 | 0 | 123.5 | ||||
| 1320 | G | 26.8 | Very low | 26.2 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -179.8 | 128.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1321 | T | 23.5 | Very low | 26.1 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | -147.4 | -179 | 179.9 | 71.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1322 | P | 33.8 | Very low | 25.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | cis | -136 | -176.1 | -9.9 | 39.5 | -21.4 | 0 | 0 | 0 | 115.9 | ||||
| 1323 | S | 27.2 | Very low | 25.4 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | 83.7 | 147.5 | 151.9 | 88.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1324 | K | 26.5 | Very low | 25.3 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | cis | -160.2 | 169 | -3.6 | -131 | 171.3 | -173.1 | 177.4 | 0 | 112.1 | ||||
| 1325 | Q | 25.2 | Very low | 24.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | 79.9 | 134.9 | 178.3 | -53.4 | -173.7 | 5 | 0 | 0 | 115.4 | ||||
| 1326 | Q | 25.1 | Very low | 24.9 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | cis | -150.9 | 140 | -8.6 | -120.9 | 177 | -2.2 | 0 | 0 | 112.3 | ||||
| 1327 | F | 25 | Very low | 24.7 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | 46.6 | 94.7 | 165.9 | -68.5 | -70.9 | 0 | 0 | 0 | 121.5 | ||||
| 1328 | S | 22 | Very low | 24.4 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -98.2 | 147 | 149.5 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1329 | T | 24.5 | Very low | 24.3 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -146.2 | 87 | 144.8 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1330 | D | 23.9 | Very low | 24.3 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -68.3 | 146.7 | 161.5 | -55.7 | -83.3 | 0 | 0 | 0 | 110.3 | ||||
| 1331 | S | 24.1 | Very low | 24.3 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | 163.2 | 107.5 | 106.5 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1332 | L | 20.3 | Very low | 24.6 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | trans | -129.7 | 128.7 | 153.1 | -163.5 | 75.7 | 0 | 0 | 0 | 106.3 | ||||
| 1333 | P | 24.4 | Very low | 24.4 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | -73.1 | 140.2 | -173.5 | 28.5 | -34.5 | 0 | 0 | 0 | 111.8 | L1335 | P1333-L1335 PolarHBondContact O-N 2.98Å; P1333-L1335 VanDerWaalsContact O-N 3.08Å | ||
| 1334 | N | 22.7 | Very low | 24.5 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -65.4 | 105.1 | 169 | -75.4 | -29.5 | 0 | 0 | 0 | 110 | T1336 | N1334-T1336 VanDerWaalsContact C-N 3.34Å; N1334-T1336 HydrophobicContact CB-CG2 4.43Å; N1334-T1336 PolarHBondContact O-N 3.07Å | ||
| 1335 | L | 20.3 | Very low | 25.1 | Very low | 153 Ų | 153 | 118.7 Ų | 118.7 | 80% | 0.801 | 67% | 0.672 | S | S | * | * | trans | -92.8 | 68.5 | 165.4 | -95.6 | 166.3 | 0 | 0 | 0 | 110.2 | P1333 E1337 | P1333-L1335 PolarHBondContact O-N 2.98Å; P1333-L1335 VanDerWaalsContact O-N 3.08Å; L1335-E1337 PolarHBondContact O-N 2.87Å | ||
| 1336 | T | 22.7 | Very low | 25.8 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | trans | -80.1 | 56.4 | 172 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | N1334 | N1334-T1336 VanDerWaalsContact C-N 3.34Å; N1334-T1336 HydrophobicContact CB-CG2 4.43Å; N1334-T1336 PolarHBondContact O-N 3.07Å | ||
| 1337 | E | 21.8 | Very low | 26.6 | Very low | 156 Ų | 156 | 105.8 Ų | 105.8 | 73% | 0.729 | 62% | 0.616 | S | S | * | * | trans | -123 | 72.7 | 169.5 | -71.8 | -161.6 | 153.8 | 0 | 0 | 110 | L1335 V1339 | L1335-E1337 PolarHBondContact O-N 2.87Å; E1337-V1339 PolarHBondContact O-N 3.19Å | ||
| 1338 | S | 23.1 | Very low | 27.5 | Very low | 120 Ų | 120 | 97.3 Ų | 97.3 | 84% | 0.839 | 58% | 0.579 | S | S | * | * | trans | -72.3 | 77.4 | 169 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | S1340 | S1338-S1340 PolarHBondContact O-N 2.88Š| ||
| 1339 | V | 23.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 95.2 Ų | 95.2 | 69% | 0.685 | 56% | 0.561 | S | S | * | * | trans | -55.3 | 125.6 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | E1337 L1341 | E1337-V1339 PolarHBondContact O-N 3.19Å; V1339-L1341 WeakPolarHBondContact O-CD1 3.15Å; V1339-L1341 PolarHBondContact O-N 3.47Å | ||
| 1340 | S | 24 | Very low | 29.3 | Very low | 76 Ų | 76 | 89.8 Ų | 89.8 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | trans | -76.5 | 86.8 | -166.9 | 59 | 0 | 0 | 0 | 0 | 113 | S1338 S1342 S1343 | S1338-S1340 PolarHBondContact O-N 2.88Å; S1340-S1342 PolarHBondContact O-N 3.28Å; S1340-S1343 PolarHBondContact O-N 2.86Å; S1340-S1343 PolarHBondContact O-OG 2.98Å | ||
| 1341 | L | 26.4 | Very low | 29.9 | Very low | 90 Ų | 90 | 84.1 Ų | 84.1 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -17.8 | 174.8 | -93.6 | 77.6 | 0 | 0 | 0 | 114.4 | V1339 S1343 L1344 T1345 I1352 | V1339-L1341 WeakPolarHBondContact O-CD1 3.15Å; V1339-L1341 PolarHBondContact O-N 3.47Å; L1341-S1343 PolarHBondContact O-N 2.72Å; L1341-L1344 PolarHBondContact O-N 2.91Å; L1341-T1345 PolarHBondContact O-N 3.03Å; L1341-T1345 PolarHBondContact O-OG1 3.4Å; L1341-I1352 HydrophobicContact CD2-CD1 4.18Å |
| 1342 | S | 29.4 | Very low | 30.2 | Very low | 78 Ų | 78 | 82.1 Ų | 82.1 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.8 | -177.5 | 51.9 | 0 | 0 | 0 | 0 | 115 | S1340 T1345 S1346 | S1340-S1342 PolarHBondContact O-N 3.28Å; S1342-T1345 PolarHBondContact O-OG1 2.97Å; S1342-S1346 PolarHBondContact O-OG 3.05Å; S1342-S1346 VanDerWaalsContact O-OG 3.08Å |
| 1343 | S | 29.4 | Very low | 30.7 | Very low | 64 Ų | 64 | 78.2 Ų | 78.2 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -55.1 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | S1340 L1341 T1345 S1346 | S1340-S1343 PolarHBondContact O-N 2.86Å; S1340-S1343 PolarHBondContact O-OG 2.98Å; L1341-S1343 PolarHBondContact O-N 2.72Å; S1343-T1345 PolarHBondContact O-N 2.95Å; S1343-S1346 WeakPolarHBondContact O-CB 3.28Å; S1343-S1346 PolarHBondContact O-N 2.67Å; S1343-S1346 VanDerWaalsContact O-N 3.09Å; S1343-S1346 PolarHBondContact O-OG 2.74Å |
| 1344 | L | 29.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 80.1 Ų | 80.1 | 41% | 0.408 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -61.8 | -40.9 | -174.3 | -70.3 | 160.5 | 0 | 0 | 0 | 113.2 | L1200 L1341 S1346 N1347 | L1200-L1344 HydrophobicContact CD1-CD1 4.49Å; L1341-L1344 PolarHBondContact O-N 2.91Å; L1344-S1346 PolarHBondContact O-N 2.98Å; L1344-N1347 PolarHBondContact O-N 3.44Å; L1344-N1347 VanDerWaalsContact O-N 3.13Å |
| 1345 | T | 39.3 | Very low | 30.9 | Very low | 40 Ų | 40 | 78.7 Ų | 78.7 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -57 | -25.1 | 176.6 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | L1341 S1342 S1343 N1349 I1352 | L1341-T1345 PolarHBondContact O-N 3.03Å; L1341-T1345 PolarHBondContact O-OG1 3.4Å; S1342-T1345 PolarHBondContact O-OG1 2.97Å; S1343-T1345 PolarHBondContact O-N 2.95Å; T1345-N1349 PolarHBondContact O-N 3.4Å; T1345-I1352 HydrophobicContact CG2-CD1 3.4Å; T1345-I1352 HydrophobicContact CG2-CG1 3.84Å |
| 1346 | S | 41.3 | Very low | 31.2 | Very low | 26 Ų | 26 | 75.9 Ų | 75.9 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -70.6 | -27.2 | -178.8 | -32.1 | 0 | 0 | 0 | 0 | 113.7 | K82 P1161 S1342 S1343 L1344 | K82-S1346 PolarHBondContact NZ-OG 2.87Å; P1161-S1346 VanDerWaalsContact CB-O 3.22Å; P1161-S1346 WeakPolarHBondContact CB-O 3.25Å; P1161-S1346 WeakPolarHBondContact CD-O 3.42Å; P1161-S1346 WeakPolarHBondContact CG-O 3.4Å; S1342-S1346 PolarHBondContact O-OG 3.05Å; S1342-S1346 VanDerWaalsContact O-OG 3.08Å; S1343-S1346 WeakPolarHBondContact O-CB 3.28Å; S1343-S1346 PolarHBondContact O-N 2.67Å; S1343-S1346 VanDerWaalsContact O-N 3.09Å; S1343-S1346 PolarHBondContact O-OG 2.74Å; L1344-S1346 PolarHBondContact O-N 2.98Å |
| 1347 | N | 41.8 | Very low | 31.4 | Very low | 27 Ų | 27 | 73.4 Ų | 73.4 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -84.3 | -13.9 | -169.6 | -72.2 | 29.8 | 0 | 0 | 0 | 113 | L1143 N1145 P1161 L1344 | L1143-N1347 PolarHBondContact O-ND2 2.86Å; L1143-N1347 VanDerWaalsContact O-ND2 3.09Å; N1145-N1347 PolarHBondContact ND2-ND2 3.05Å; N1145-N1347 PolarHBondContact ND2-OD1 2.77Å; P1161-N1347 VanDerWaalsContact CB-O 3.23Å; P1161-N1347 WeakPolarHBondContact CB-O 3.29Å; L1344-N1347 PolarHBondContact O-N 3.44Å; L1344-N1347 VanDerWaalsContact O-N 3.13Å |
| 1348 | L | 42 | Very low | 31.9 | Very low | 15 Ų | 15 | 73.5 Ų | 73.5 | 8% | 0.079 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 5.2 | -179.1 | -68.8 | 172.7 | 0 | 0 | 0 | 114.3 | L1143 L1164 L1193 L1201 M1350 | L1143-L1348 HydrophobicContact CD2-CD2 4.32Å; L1164-L1348 HydrophobicContact CD1-CD2 3.87Å; L1164-L1348 HydrophobicContact CG-CD2 4.33Å; L1193-L1348 HydrophobicContact CD1-CD1 3.77Å; L1193-L1348 HydrophobicContact CD1-CD2 4.06Å; L1193-L1348 HydrophobicContact CD2-CD1 3.87Å; L1193-L1348 HydrophobicContact CD2-CD2 4.13Å; L1193-L1348 HydrophobicContact CD2-CG 4.24Å; L1193-L1348 HydrophobicContact CG-CD1 4.49Å; L1201-L1348 HydrophobicContact CD1-CD1 4.24Å; L1348-M1350 HydrophobicContact CB-CG 3.72Å; L1348-M1350 PolarHBondContact O-N 2.69Å |
| 1349 | N | 44.6 | Very low | 32.5 | Very low | 50 Ų | 50 | 74.8 Ų | 74.8 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37 | -178.9 | -144.5 | 18.2 | 0 | 0 | 0 | 114.6 | P1161 E1163 T1345 S1351 | P1161-N1349 HydrophobicContact CB-CB 4.32Å; P1161-N1349 HydrophobicContact CG-CB 3.73Å; E1163-N1349 PolarHBondContact OE1-ND2 3.18Å; T1345-N1349 PolarHBondContact O-N 3.4Å; N1349-S1351 PolarHBondContact O-N 2.91Å |
| 1350 | M | 39.7 | Very low | 33.3 | Very low | 30 Ų | 30 | 70.5 Ų | 70.5 | 15% | 0.148 | 39% | 0.388 | C | S | . | . | trans | -85.9 | 110.5 | -173.2 | -67.5 | -85.5 | -80.3 | 0 | 0 | 110.6 | L1201 Y1204 L1348 I1352 | L1201-M1350 HydrophobicContact CB-CE 4.21Å; L1201-M1350 HydrophobicContact CG-CE 4.09Å; Y1204-M1350 HydrophobicContact CD1-CE 3.39Å; Y1204-M1350 HydrophobicContact CD1-SD 3.89Å; Y1204-M1350 HydrophobicContact CE1-CE 4.26Å; Y1204-M1350 HydrophobicContact CE1-SD 4.2Å; Y1204-M1350 HydrophobicContact CG-CE 3.65Å; L1348-M1350 HydrophobicContact CB-CG 3.72Å; L1348-M1350 PolarHBondContact O-N 2.69Å; M1350-I1352 PolarHBondContact O-N 3.01Å; M1350-I1352 VanDerWaalsContact O-N 3.15Å | ||
| 1351 | S | 37.9 | Very low | 33.9 | Very low | 25 Ų | 25 | 67.6 Ų | 67.6 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | trans | -76.3 | 96.2 | 175.7 | 50 | 0 | 0 | 0 | 0 | 111.1 | Y1204 N1349 V1353 | Y1204-S1351 WeakPolarHBondContact CE2-O 3.42Å; N1349-S1351 PolarHBondContact O-N 2.91Å; S1351-V1353 PolarHBondContact O-N 2.99Å | ||
| 1352 | I | 29.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 65.3 Ų | 65.3 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | trans | -63.3 | 130.6 | -179 | -63.9 | -176.9 | 0 | 0 | 0 | 111.3 | L1341 T1345 M1350 L1354 | L1341-I1352 HydrophobicContact CD2-CD1 4.18Å; T1345-I1352 HydrophobicContact CG2-CD1 3.4Å; T1345-I1352 HydrophobicContact CG2-CG1 3.84Å; M1350-I1352 PolarHBondContact O-N 3.01Å; M1350-I1352 VanDerWaalsContact O-N 3.15Å; I1352-L1354 HydrophobicContact CG2-CB 4.4Å; I1352-L1354 HydrophobicContact CG2-CD1 3.74Å; I1352-L1354 HydrophobicContact CG2-CG 3.67Å | ||
| 1353 | V | 30.9 | Very low | 35 | Very low | 52 Ų | 52 | 64.4 Ų | 64.4 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | trans | -124.1 | 123.4 | 157.4 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | S1351 L1362 | S1351-V1353 PolarHBondContact O-N 2.99Å; V1353-L1362 HydrophobicContact CG2-CG 4.47Å | ||
| 1354 | L | 25.3 | Very low | 35.4 | Very low | 144 Ų | 144 | 62.1 Ų | 62.1 | 75% | 0.754 | 33% | 0.331 | S | S | * | . | trans | -125.8 | 64.8 | 177.5 | -77.3 | 169 | 0 | 0 | 0 | 109.4 | I1352 | I1352-L1354 HydrophobicContact CG2-CB 4.4Å; I1352-L1354 HydrophobicContact CG2-CD1 3.74Å; I1352-L1354 HydrophobicContact CG2-CG 3.67Å | ||
| 1355 | D | 26.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 60 Ų | 60 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | trans | -149.1 | 144.5 | 154.7 | -145.8 | -31.6 | 0 | 0 | 0 | 112.1 | ||||
| 1356 | S | 26.7 | Very low | 36 | Very low | 94 Ų | 94 | 64 Ų | 64 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -83.9 | -16.7 | -165.6 | 61.9 | 0 | 0 | 0 | 0 | 114 | ||
| 1357 | S | 27 | Very low | 36.4 | Very low | 72 Ų | 72 | 63.9 Ų | 63.9 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -89.2 | -13 | -167.4 | 48.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1358 | W | 30.8 | Very low | 36.9 | Very low | 159 Ų | 159 | 65 Ų | 65 | 60% | 0.602 | 34% | 0.336 | S | S | * | . | trans | -127.2 | 57.6 | -174.5 | -64.6 | 77.1 | 0 | 0 | 0 | 113.8 | M1360 T1361 | W1358-M1360 PolarHBondContact O-N 2.92Å; W1358-T1361 HydrophobicContact CB-CG2 4.11Å; W1358-T1361 WeakPolarHBondContact CB-OG1 3.43Å; W1358-T1361 HydrophobicContact CE3-CG2 3.81Å; W1358-T1361 PolarHBondContact O-N 3.47Å; W1358-T1361 PolarHBondContact O-OG1 2.82Å | ||
| 1359 | W | 37.4 | Very low | 37.5 | Very low | 147 Ų | 147 | 67.2 Ų | 67.2 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -16.2 | 173.3 | 42.7 | 4.3 | 0 | 0 | 0 | 118.7 | H1372 P1543 | W1359-H1372 PolarHBondContact O-CE1 2.83Å; W1359-P1543 HydrophobicContact CD2-CB 4.27Å; W1359-P1543 HydrophobicContact CE3-CB 4.03Å; W1359-P1543 HydrophobicContact CH2-CB 3.58Å; W1359-P1543 HydrophobicContact CH2-CG 3.45Å; W1359-P1543 VanDerWaalsContact CH2-CG 3.45Å; W1359-P1543 HydrophobicContact CZ2-CB 3.79Å; W1359-P1543 HydrophobicContact CZ2-CG 3.46Å; W1359-P1543 VanDerWaalsContact CZ2-CG 3.46Å; W1359-P1543 HydrophobicContact CZ3-CB 3.67Å; W1359-P1543 HydrophobicContact CZ3-CG 4.1Å |
| 1360 | M | 38.6 | Very low | 38 | Very low | 23 Ų | 23 | 72.8 Ų | 72.8 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -1.3 | 172.1 | -84.8 | -166.6 | 178.5 | 0 | 0 | 114.4 | W1358 R1366 I1367 L1542 A1546 | W1358-M1360 PolarHBondContact O-N 2.92Å; M1360-R1366 WeakPolarHBondContact O-CA 3.29Å; M1360-I1367 WeakPolarHBondContact O-CG1 3.41Å; M1360-I1367 PolarHBondContact O-N 2.95Å; M1360-L1542 HydrophobicContact CE-CB 4.24Å; M1360-L1542 HydrophobicContact CE-CG 4.32Å; M1360-L1542 VanDerWaalsContact CE-O 3.29Å; M1360-L1542 WeakPolarHBondContact CE-O 3.22Å; M1360-L1542 HydrophobicContact SD-CB 4.27Å; M1360-L1542 HydrophobicContact SD-CD2 3.72Å; M1360-L1542 HydrophobicContact SD-CG 3.96Å; M1360-A1546 HydrophobicContact CE-CB 3.85Å |
| 1361 | T | 38 | Very low | 39 | Very low | 14 Ų | 14 | 73.3 Ų | 73.3 | 9% | 0.086 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.1 | -178.2 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | W1358 G1364 Y1365 R1366 | W1358-T1361 HydrophobicContact CB-CG2 4.11Å; W1358-T1361 WeakPolarHBondContact CB-OG1 3.43Å; W1358-T1361 HydrophobicContact CE3-CG2 3.81Å; W1358-T1361 PolarHBondContact O-N 3.47Å; W1358-T1361 PolarHBondContact O-OG1 2.82Å; T1361-G1364 WeakPolarHBondContact CG2-O 3.46Å; T1361-Y1365 VanDerWaalsContact CA-O 3.25Å; T1361-Y1365 WeakPolarHBondContact CA-O 3.22Å; T1361-R1366 HydrophobicContact CG2-CG 4.49Å |
| 1362 | L | 37.7 | Very low | 40.3 | Very low | 42 Ų | 42 | 72.8 Ų | 72.8 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.7 | 159.1 | -136.2 | 75.5 | 0 | 0 | 0 | 107.5 | V1353 G1364 Y1365 I1367 L1375 | V1353-L1362 HydrophobicContact CG2-CG 4.47Å; L1362-G1364 PolarHBondContact O-N 3.46Å; L1362-Y1365 PolarHBondContact N-O 3.07Å; L1362-Y1365 VanDerWaalsContact N-O 3.14Å; L1362-Y1365 VanDerWaalsContact O-CB 3.3Å; L1362-Y1365 WeakPolarHBondContact O-CB 3.43Å; L1362-Y1365 WeakPolarHBondContact O-CD2 3.46Å; L1362-Y1365 PolarHBondContact O-N 2.94Å; L1362-I1367 HydrophobicContact CB-CD1 3.89Å; L1362-I1367 HydrophobicContact CB-CG1 3.95Å; L1362-I1367 HydrophobicContact CD1-CD1 4.1Å; L1362-L1375 HydrophobicContact CD1-CD1 4.5Å |
| 1363 | N | 40.1 | Very low | 42.2 | Very low | 59 Ų | 59 | 69.4 Ų | 69.4 | 32% | 0.316 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 41.2 | -176.4 | -57.9 | 20.1 | 0 | 0 | 0 | 113.4 | Y1365 | N1363-Y1365 VanDerWaalsContact C-N 3.3Å; N1363-Y1365 HydrophobicContact CB-CD2 4.42Å; N1363-Y1365 PolarHBondContact O-N 3.05Å |
| 1364 | G | 39.3 | Very low | 44 | Very low | 17 Ų | 17 | 69.8 Ų | 69.8 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -10.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1361 L1362 | T1361-G1364 WeakPolarHBondContact CG2-O 3.46Å; L1362-G1364 PolarHBondContact O-N 3.46Å |
| 1365 | Y | 38.2 | Very low | 46.4 | Very low | 34 Ų | 34 | 63.6 Ų | 63.6 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.4 | -176.5 | -55.1 | -52.1 | 0 | 0 | 0 | 113.3 | A75 Y129 H145 T147 T1361 L1362 N1363 I1367 | A75-Y1365 PolarHBondContact O-OH 2.97Å; Y129-Y1365 VanDerWaalsContact CB-CE1 3.47Å; Y129-Y1365 HydrophobicContact CG-CD1 4.4Å; H145-Y1365 AromaticContact CE1-CD1 3.2Å; H145-Y1365 WeakPolarHBondContact CE1-CD1 3.31Å; H145-Y1365 AromaticContact CE1-CE1 3.88Å; H145-Y1365 AromaticContact CE1-CG 3.91Å; H145-Y1365 AromaticContact NE2-CD1 3.52Å; T147-Y1365 HydrophobicContact CG2-CE1 4.01Å; T147-Y1365 HydrophobicContact CG2-CE2 4.07Å; T147-Y1365 WeakPolarHBondContact CG2-OH 3.29Å; T147-Y1365 WeakPolarHBondContact OG1-CD1 3.41Å; T147-Y1365 WeakPolarHBondContact OG1-CE1 3.48Å; T1361-Y1365 VanDerWaalsContact CA-O 3.25Å; T1361-Y1365 WeakPolarHBondContact CA-O 3.22Å; L1362-Y1365 PolarHBondContact N-O 3.07Å; L1362-Y1365 VanDerWaalsContact N-O 3.14Å; L1362-Y1365 VanDerWaalsContact O-CB 3.3Å; L1362-Y1365 WeakPolarHBondContact O-CB 3.43Å; L1362-Y1365 WeakPolarHBondContact O-CD2 3.46Å; L1362-Y1365 PolarHBondContact O-N 2.94Å; N1363-Y1365 VanDerWaalsContact C-N 3.3Å; N1363-Y1365 HydrophobicContact CB-CD2 4.42Å; N1363-Y1365 PolarHBondContact O-N 3.05Å; Y1365-I1367 PolarHBondContact O-N 2.73Å |
| 1366 | R | 43.5 | Very low | 49 | Very low | 122 Ų | 122 | 58.4 Ų | 58.4 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 102 | 171.6 | -85.4 | -173.3 | 173.8 | -170.8 | -4.2 | 110.9 | M1360 T1361 | M1360-R1366 WeakPolarHBondContact O-CA 3.29Å; T1361-R1366 HydrophobicContact CG2-CG 4.49Å |
| 1367 | I | 49.5 | Very low | 51.6 | Low | 24 Ų | 24 | 54.8 Ų | 54.8 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | trans | -67.7 | 134 | 179.8 | -49.3 | 160.2 | 0 | 0 | 0 | 108.5 | M1360 L1362 Y1365 E1371 H1372 L1375 | M1360-I1367 WeakPolarHBondContact O-CG1 3.41Å; M1360-I1367 PolarHBondContact O-N 2.95Å; L1362-I1367 HydrophobicContact CB-CD1 3.89Å; L1362-I1367 HydrophobicContact CB-CG1 3.95Å; L1362-I1367 HydrophobicContact CD1-CD1 4.1Å; Y1365-I1367 PolarHBondContact O-N 2.73Å; I1367-E1371 HydrophobicContact CG2-CB 3.86Å; I1367-E1371 HydrophobicContact CG2-CG 4.18Å; I1367-H1372 HydrophobicContact CB-CB 4.19Å; I1367-H1372 HydrophobicContact CG2-CB 3.91Å; I1367-L1375 HydrophobicContact CD1-CD1 4.21Å | ||
| 1368 | S | 51.2 | Low | 54.4 | Low | 52 Ų | 52 | 51.6 Ų | 51.6 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | trans | -58.3 | 139.8 | 174 | 75 | 0 | 0 | 0 | 0 | 110.5 | R1370 E1371 H1372 | S1368-R1370 PolarHBondContact O-N 3.49Å; S1368-E1371 PolarHBondContact O-N 3.07Å; S1368-E1371 PolarHBondContact OG-N 2.82Å; S1368-H1372 PolarHBondContact O-N 2.9Å | ||
| 1369 | P | 54.4 | Low | 57 | Low | 60 Ų | 60 | 44 Ų | 44 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.8 | -28.5 | -174.9 | -30.2 | 35.7 | 0 | 0 | 0 | 114.2 | A1373 A1549 | P1369-A1373 VanDerWaalsContact O-CB 3.27Å; P1369-A1373 WeakPolarHBondContact O-CB 3.33Å; P1369-A1373 PolarHBondContact O-N 3.04Å; P1369-A1549 HydrophobicContact CB-CB 4.08Å |
| 1370 | R | 56.2 | Low | 59.4 | Low | 168 Ų | 168 | 37.1 Ų | 37.1 | 63% | 0.634 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -72.3 | -38.1 | 174.6 | -72.5 | 175.6 | 168.3 | 160 | -7.2 | 113.7 | S1368 R1374 | S1368-R1370 PolarHBondContact O-N 3.49Å; R1370-R1374 WeakPolarHBondContact O-CB 3.25Å; R1370-R1374 PolarHBondContact O-N 2.7Å; R1370-R1374 VanDerWaalsContact O-N 3.11Å |
| 1371 | E | 59.5 | Low | 61.9 | Low | 41 Ų | 41 | 36.7 Ų | 36.7 | 19% | 0.192 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -79.5 | -32.4 | 177.2 | -169.5 | 71.7 | -178.2 | 0 | 0 | 110.8 | K1025 I1367 S1368 R1374 L1375 | K1025-E1371 IonicContact NZ-OE1 2.78Å; K1025-E1371 PolarHBondContact NZ-OE1 3.25Å; K1025-E1371 IonicContact NZ-OE2 2.67Å; K1025-E1371 PolarHBondContact NZ-OE2 2.69Å; I1367-E1371 HydrophobicContact CG2-CB 3.86Å; I1367-E1371 HydrophobicContact CG2-CG 4.18Å; S1368-E1371 PolarHBondContact O-N 3.07Å; S1368-E1371 PolarHBondContact OG-N 2.82Å; E1371-R1374 CarbonylContact O-C 3.56Å; E1371-R1374 WeakPolarHBondContact O-CB 3.3Å; E1371-R1374 PolarHBondContact O-N 3.31Å; E1371-R1374 IonicContact OE1-CZ 3.24Å; E1371-R1374 IonicContact OE1-NE 3.92Å; E1371-R1374 PolarHBondContact OE1-NE 3.21Å; E1371-R1374 IonicContact OE1-NH2 2.74Å; E1371-R1374 PolarHBondContact OE1-NH2 3.02Å; E1371-R1374 IonicContact OE2-NE 3.08Å; E1371-R1374 PolarHBondContact OE2-NE 2.83Å; E1371-L1375 PolarHBondContact O-N 3.39Å |
| 1372 | H | 66.2 | Low | 64.3 | Low | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -49.5 | 169.7 | -174.9 | 92.4 | 0 | 0 | 0 | 110.9 | W1359 I1367 S1368 R1374 L1375 Q1376 | W1359-H1372 PolarHBondContact O-CE1 2.83Å; I1367-H1372 HydrophobicContact CB-CB 4.19Å; I1367-H1372 HydrophobicContact CG2-CB 3.91Å; S1368-H1372 PolarHBondContact O-N 2.9Å; H1372-R1374 PolarHBondContact O-N 3.48Å; H1372-L1375 WeakPolarHBondContact O-CA 3.42Å; H1372-L1375 WeakPolarHBondContact O-CB 3.29Å; H1372-L1375 PolarHBondContact O-N 3.34Å; H1372-Q1376 PolarHBondContact CD2-NE2 3.16Å; H1372-Q1376 PolarHBondContact NE2-NE2 3.19Å; H1372-Q1376 WeakPolarHBondContact O-CG 3.46Å; H1372-Q1376 PolarHBondContact O-N 3.07Å |
| 1373 | A | 68.4 | Low | 66.7 | Low | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -29.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1369 A1377 L1550 L1553 | P1369-A1373 VanDerWaalsContact O-CB 3.27Å; P1369-A1373 WeakPolarHBondContact O-CB 3.33Å; P1369-A1373 PolarHBondContact O-N 3.04Å; A1373-A1377 VanDerWaalsContact O-CB 3.3Å; A1373-A1377 WeakPolarHBondContact O-CB 3.41Å; A1373-A1377 PolarHBondContact O-N 3.22Å; A1373-L1550 HydrophobicContact CB-CB 4.33Å; A1373-L1550 HydrophobicContact CB-CD1 4.11Å; A1373-L1553 HydrophobicContact CB-CD1 3.71Å |
| 1374 | R | 69.4 | Low | 69.1 | Low | 60 Ų | 60 | 31.2 Ų | 31.2 | 23% | 0.226 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.8 | -28.1 | 172.7 | -161.3 | -156 | 56 | 56.1 | -3.9 | 113 | R1370 E1371 H1372 I1378 | R1370-R1374 WeakPolarHBondContact O-CB 3.25Å; R1370-R1374 PolarHBondContact O-N 2.7Å; R1370-R1374 VanDerWaalsContact O-N 3.11Å; E1371-R1374 CarbonylContact O-C 3.56Å; E1371-R1374 WeakPolarHBondContact O-CB 3.3Å; E1371-R1374 PolarHBondContact O-N 3.31Å; E1371-R1374 IonicContact OE1-CZ 3.24Å; E1371-R1374 IonicContact OE1-NE 3.92Å; E1371-R1374 PolarHBondContact OE1-NE 3.21Å; E1371-R1374 IonicContact OE1-NH2 2.74Å; E1371-R1374 PolarHBondContact OE1-NH2 3.02Å; E1371-R1374 IonicContact OE2-NE 3.08Å; E1371-R1374 PolarHBondContact OE2-NE 2.83Å; H1372-R1374 PolarHBondContact O-N 3.48Å; R1374-I1378 PolarHBondContact O-N 2.84Å |
| 1375 | L | 75.1 | Confident | 71.5 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.7 | -45.2 | 171.4 | -70.5 | 170.4 | 0 | 0 | 0 | 110.8 | W1205 L1362 I1367 E1371 H1372 A1377 I1378 A1379 | W1205-L1375 HydrophobicContact CH2-CD2 4.31Å; L1362-L1375 HydrophobicContact CD1-CD1 4.5Å; I1367-L1375 HydrophobicContact CD1-CD1 4.21Å; E1371-L1375 PolarHBondContact O-N 3.39Å; H1372-L1375 WeakPolarHBondContact O-CA 3.42Å; H1372-L1375 WeakPolarHBondContact O-CB 3.29Å; H1372-L1375 PolarHBondContact O-N 3.34Å; L1375-A1377 VanDerWaalsContact C-N 3.29Å; L1375-A1377 PolarHBondContact O-N 2.75Å; L1375-I1378 CarbonylContact O-C 3.59Å; L1375-I1378 WeakPolarHBondContact O-CA 3.06Å; L1375-I1378 PolarHBondContact O-N 3.38Å; L1375-A1379 PolarHBondContact O-N 3.26Å |
| 1376 | Q | 82.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.7 | -43.8 | 171.7 | -67.2 | -178.8 | -28.1 | 0 | 0 | 111.8 | L1208 P1210 H1372 I1378 A1379 I1380 L1550 | L1208-Q1376 WeakPolarHBondContact O-CG 3.39Å; P1210-Q1376 HydrophobicContact CG-CB 4.35Å; P1210-Q1376 HydrophobicContact CG-CG 4.43Å; H1372-Q1376 PolarHBondContact CD2-NE2 3.16Å; H1372-Q1376 PolarHBondContact NE2-NE2 3.19Å; H1372-Q1376 WeakPolarHBondContact O-CG 3.46Å; H1372-Q1376 PolarHBondContact O-N 3.07Å; Q1376-I1378 VanDerWaalsContact C-N 3.27Å; Q1376-I1378 PolarHBondContact O-N 2.91Å; Q1376-A1379 WeakPolarHBondContact O-CB 3.37Å; Q1376-A1379 PolarHBondContact O-N 2.88Å; Q1376-I1380 VanDerWaalsContact O-CG1 3.26Å; Q1376-I1380 WeakPolarHBondContact O-CG1 3.34Å; Q1376-I1380 PolarHBondContact O-N 3.21Å; Q1376-L1550 HydrophobicContact CB-CD1 4.23Å |
| 1377 | A | 82.1 | Confident | 75.9 | Confident | 19 Ų | 19 | 23.3 Ų | 23.3 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -32.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1373 L1375 I1381 L1562 | A1373-A1377 VanDerWaalsContact O-CB 3.3Å; A1373-A1377 WeakPolarHBondContact O-CB 3.41Å; A1373-A1377 PolarHBondContact O-N 3.22Å; L1375-A1377 VanDerWaalsContact C-N 3.29Å; L1375-A1377 PolarHBondContact O-N 2.75Å; A1377-I1381 WeakPolarHBondContact O-CG1 3.41Å; A1377-L1562 HydrophobicContact CB-CD1 4.1Å; A1377-L1562 HydrophobicContact CB-CD2 3.74Å; A1377-L1562 WeakPolarHBondContact O-CD1 3.27Å |
| 1378 | I | 83.8 | Confident | 77.7 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -77.7 | -40.8 | 173.4 | -71.9 | -179.6 | 0 | 0 | 0 | 111 | N1165 A1168 R1169 W1205 R1374 L1375 Q1376 I1380 I1381 L1382 | N1165-I1378 WeakPolarHBondContact O-CD1 3.44Å; A1168-I1378 HydrophobicContact CB-CG2 4.04Å; R1169-I1378 HydrophobicContact CG-CD1 3.73Å; R1169-I1378 HydrophobicContact CG-CG1 4.16Å; W1205-I1378 HydrophobicContact CE3-CG2 4.44Å; W1205-I1378 HydrophobicContact CH2-CG2 3.78Å; W1205-I1378 HydrophobicContact CZ2-CG2 4.38Å; W1205-I1378 HydrophobicContact CZ3-CB 4.27Å; W1205-I1378 HydrophobicContact CZ3-CG2 3.81Å; R1374-I1378 PolarHBondContact O-N 2.84Å; L1375-I1378 CarbonylContact O-C 3.59Å; L1375-I1378 WeakPolarHBondContact O-CA 3.06Å; L1375-I1378 PolarHBondContact O-N 3.38Å; Q1376-I1378 VanDerWaalsContact C-N 3.27Å; Q1376-I1378 PolarHBondContact O-N 2.91Å; I1378-I1380 VanDerWaalsContact C-N 3.31Å; I1378-I1380 PolarHBondContact O-N 2.95Å; I1378-I1381 PolarHBondContact O-N 2.99Å; I1378-I1381 VanDerWaalsContact O-N 3.08Å; I1378-L1382 HydrophobicContact CG2-CD1 3.6Å; I1378-L1382 HydrophobicContact CG2-CG 4.04Å; I1378-L1382 PolarHBondContact O-N 2.88Å |
| 1379 | A | 86.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1205 L1208 L1209 L1375 Q1376 I1381 L1382 M1383 | W1205-A1379 HydrophobicContact CE3-CB 3.79Å; W1205-A1379 HydrophobicContact CZ3-CB 4.38Å; L1208-A1379 HydrophobicContact CB-CB 3.84Å; L1209-A1379 HydrophobicContact CD2-CB 4.09Å; L1375-A1379 PolarHBondContact O-N 3.26Å; Q1376-A1379 WeakPolarHBondContact O-CB 3.37Å; Q1376-A1379 PolarHBondContact O-N 2.88Å; A1379-I1381 VanDerWaalsContact C-N 3.29Å; A1379-I1381 PolarHBondContact O-N 3.06Å; A1379-L1382 PolarHBondContact O-N 2.97Å; A1379-M1383 VanDerWaalsContact O-CB 3.25Å; A1379-M1383 WeakPolarHBondContact O-CB 3.3Å; A1379-M1383 VanDerWaalsContact O-CG 3.22Å; A1379-M1383 WeakPolarHBondContact O-CG 3.35Å; A1379-M1383 PolarHBondContact O-N 2.82Å |
| 1380 | I | 88.4 | Confident | 80.7 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | 177.6 | -63.8 | 165.2 | 0 | 0 | 0 | 111.7 | L1209 P1210 Q1376 I1378 G1384 C1502 L1503 L1506 | L1209-I1380 HydrophobicContact CD2-CG1 3.92Å; P1210-I1380 HydrophobicContact CG-CD1 4.31Å; Q1376-I1380 VanDerWaalsContact O-CG1 3.26Å; Q1376-I1380 WeakPolarHBondContact O-CG1 3.34Å; Q1376-I1380 PolarHBondContact O-N 3.21Å; I1378-I1380 VanDerWaalsContact C-N 3.31Å; I1378-I1380 PolarHBondContact O-N 2.95Å; I1380-G1384 PolarHBondContact O-N 3.27Å; I1380-G1384 VanDerWaalsContact O-N 3.09Å; I1380-C1502 HydrophobicContact CD1-CB 3.91Å; I1380-C1502 HydrophobicContact CG1-CB 3.73Å; I1380-C1502 HydrophobicContact CG2-CB 4.02Å; I1380-L1503 HydrophobicContact CG2-CD2 3.85Å; I1380-L1503 HydrophobicContact CG2-CG 4.38Å; I1380-L1506 HydrophobicContact CD1-CD1 4.4Å; I1380-L1506 HydrophobicContact CG2-CD1 3.85Å |
| 1381 | I | 89.5 | Confident | 81.3 | Confident | 13 Ų | 13 | 13.9 Ų | 13.9 | 7% | 0.067 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -72.2 | -51.1 | 176.8 | -65.5 | 173.6 | 0 | 0 | 0 | 110.7 | A1168 W1171 A1377 I1378 A1379 G1384 V1385 L1562 A1565 L1569 | A1168-I1381 HydrophobicContact CB-CG2 4.18Å; A1168-I1381 WeakPolarHBondContact O-CD1 3.09Å; W1171-I1381 HydrophobicContact CB-CG2 4.05Å; W1171-I1381 HydrophobicContact CG-CG2 4.11Å; A1377-I1381 WeakPolarHBondContact O-CG1 3.41Å; I1378-I1381 PolarHBondContact O-N 2.99Å; I1378-I1381 VanDerWaalsContact O-N 3.08Å; A1379-I1381 VanDerWaalsContact C-N 3.29Å; A1379-I1381 PolarHBondContact O-N 3.06Å; I1381-G1384 PolarHBondContact O-N 2.93Å; I1381-V1385 HydrophobicContact CG2-CG2 4.32Å; I1381-V1385 VanDerWaalsContact O-CG2 3.29Å; I1381-V1385 WeakPolarHBondContact O-CG2 3.47Å; I1381-V1385 PolarHBondContact O-N 2.77Å; I1381-L1562 HydrophobicContact CD1-CD1 3.89Å; I1381-L1562 HydrophobicContact CG1-CD1 3.97Å; I1381-A1565 HydrophobicContact CD1-CB 3.94Å; I1381-A1565 HydrophobicContact CG1-CB 3.97Å; I1381-L1569 HydrophobicContact CG2-CD1 4.43Å |
| 1382 | L | 88.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -50 | -179 | -74.7 | 173.4 | 0 | 0 | 0 | 111.8 | A1168 L1186 W1205 I1378 A1379 G1384 V1385 I1386 | A1168-L1382 HydrophobicContact CB-CD2 4.03Å; A1168-L1382 HydrophobicContact CB-CG 4.06Å; L1186-L1382 HydrophobicContact CD1-CD2 3.83Å; L1186-L1382 HydrophobicContact CD2-CD2 4.12Å; W1205-L1382 HydrophobicContact CD2-CD1 3.61Å; W1205-L1382 HydrophobicContact CE3-CD1 4.16Å; W1205-L1382 HydrophobicContact CG-CD1 3.97Å; W1205-L1382 HydrophobicContact CH2-CD1 4.33Å; W1205-L1382 HydrophobicContact CZ2-CD1 3.8Å; W1205-L1382 HydrophobicContact CZ3-CD1 4.49Å; I1378-L1382 HydrophobicContact CG2-CD1 3.6Å; I1378-L1382 HydrophobicContact CG2-CG 4.04Å; I1378-L1382 PolarHBondContact O-N 2.88Å; A1379-L1382 PolarHBondContact O-N 2.97Å; L1382-G1384 VanDerWaalsContact C-N 3.26Å; L1382-G1384 PolarHBondContact O-N 2.9Å; L1382-V1385 PolarHBondContact O-N 3.45Å; L1382-V1385 VanDerWaalsContact O-N 3.16Å; L1382-I1386 WeakPolarHBondContact O-CD1 3.5Å; L1382-I1386 VanDerWaalsContact O-CG1 3.22Å; L1382-I1386 WeakPolarHBondContact O-CG1 3.45Å; L1382-I1386 PolarHBondContact O-N 3.02Å |
| 1383 | M | 89.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.9 | -33.9 | 177.5 | -62.2 | -49.1 | -52.2 | 0 | 0 | 111.9 | V1202 W1205 L1209 A1379 I1386 G1387 F1488 L1495 T1499 | V1202-M1383 HydrophobicContact CB-CE 4.42Å; V1202-M1383 HydrophobicContact CG1-CE 4.13Å; V1202-M1383 HydrophobicContact CG2-CE 4.17Å; W1205-M1383 HydrophobicContact CB-CG 4.15Å; W1205-M1383 HydrophobicContact CB-SD 3.57Å; W1205-M1383 VanDerWaalsContact CB-SD 3.57Å; L1209-M1383 HydrophobicContact CD1-CB 4.46Å; L1209-M1383 HydrophobicContact CD1-CG 4.2Å; L1209-M1383 HydrophobicContact CD2-CB 4.39Å; L1209-M1383 HydrophobicContact CD2-CG 4.19Å; L1209-M1383 HydrophobicContact CG-CG 4.31Å; A1379-M1383 VanDerWaalsContact O-CB 3.25Å; A1379-M1383 WeakPolarHBondContact O-CB 3.3Å; A1379-M1383 VanDerWaalsContact O-CG 3.22Å; A1379-M1383 WeakPolarHBondContact O-CG 3.35Å; A1379-M1383 PolarHBondContact O-N 2.82Å; M1383-I1386 HydrophobicContact SD-CD1 4.26Å; M1383-G1387 PolarHBondContact O-N 3.33Å; M1383-F1488 HydrophobicContact CE-CE1 3.63Å; M1383-F1488 HydrophobicContact CE-CZ 4.12Å; M1383-L1495 HydrophobicContact CE-CD1 4.3Å; M1383-L1495 HydrophobicContact CE-CD2 3.82Å; M1383-L1495 HydrophobicContact CE-CG 4.21Å; M1383-T1499 HydrophobicContact CB-CG2 4.06Å |
| 1384 | G | 89.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1380 I1381 L1382 G1387 V1388 | I1380-G1384 PolarHBondContact O-N 3.27Å; I1380-G1384 VanDerWaalsContact O-N 3.09Å; I1381-G1384 PolarHBondContact O-N 2.93Å; L1382-G1384 VanDerWaalsContact C-N 3.26Å; L1382-G1384 PolarHBondContact O-N 2.9Å; G1384-G1387 PolarHBondContact O-N 2.94Å; G1384-V1388 WeakPolarHBondContact O-CB 3.4Å; G1384-V1388 WeakPolarHBondContact O-CG2 3.5Å; G1384-V1388 PolarHBondContact O-N 2.89Å |
| 1385 | V | 91.1 | Very high | 78.1 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 178 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | W1171 L1186 L1187 L1190 I1381 L1382 V1388 R1389 L1569 | W1171-V1385 HydrophobicContact CD2-CG2 3.97Å; W1171-V1385 HydrophobicContact CE3-CG2 3.84Å; W1171-V1385 HydrophobicContact CH2-CG1 4.11Å; W1171-V1385 HydrophobicContact CH2-CG2 3.64Å; W1171-V1385 HydrophobicContact CZ2-CG2 3.78Å; W1171-V1385 HydrophobicContact CZ3-CG1 4.11Å; W1171-V1385 HydrophobicContact CZ3-CG2 3.65Å; L1186-V1385 HydrophobicContact CD2-CB 4.47Å; L1186-V1385 HydrophobicContact CD2-CG1 4.19Å; L1186-V1385 HydrophobicContact CD2-CG2 4.14Å; L1186-V1385 HydrophobicContact CG-CG1 4.36Å; L1187-V1385 HydrophobicContact CD2-CG1 3.92Å; L1190-V1385 HydrophobicContact CD1-CG1 3.79Å; I1381-V1385 HydrophobicContact CG2-CG2 4.32Å; I1381-V1385 VanDerWaalsContact O-CG2 3.29Å; I1381-V1385 WeakPolarHBondContact O-CG2 3.47Å; I1381-V1385 PolarHBondContact O-N 2.77Å; L1382-V1385 PolarHBondContact O-N 3.45Å; L1382-V1385 VanDerWaalsContact O-N 3.16Å; V1385-V1388 PolarHBondContact O-N 2.82Å; V1385-R1389 WeakPolarHBondContact O-CB 3.45Å; V1385-R1389 PolarHBondContact O-N 3.09Å; V1385-L1569 HydrophobicContact CB-CD2 4.5Å; V1385-L1569 HydrophobicContact CG2-CD1 4.45Å; V1385-L1569 HydrophobicContact CG2-CD2 3.65Å |
| 1386 | I | 88.5 | Confident | 76.6 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.9 | -64.1 | 157.7 | 0 | 0 | 0 | 110.2 | L1190 L1201 V1202 L1382 M1383 V1388 R1389 F1390 | L1190-I1386 HydrophobicContact CD1-CG1 4.09Å; L1190-I1386 HydrophobicContact CD2-CG1 4.21Å; L1201-I1386 HydrophobicContact CD2-CD1 3.36Å; V1202-I1386 HydrophobicContact CG2-CD1 4.31Å; V1202-I1386 HydrophobicContact CG2-CG2 3.86Å; L1382-I1386 WeakPolarHBondContact O-CD1 3.5Å; L1382-I1386 VanDerWaalsContact O-CG1 3.22Å; L1382-I1386 WeakPolarHBondContact O-CG1 3.45Å; L1382-I1386 PolarHBondContact O-N 3.02Å; M1383-I1386 HydrophobicContact SD-CD1 4.26Å; I1386-V1388 VanDerWaalsContact C-N 3.35Å; I1386-V1388 PolarHBondContact O-N 3.09Å; I1386-R1389 PolarHBondContact O-N 2.61Å; I1386-F1390 HydrophobicContact CG2-CD2 4.15Å; I1386-F1390 PolarHBondContact O-N 3.45Å |
| 1387 | G | 85.3 | Confident | 75 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1383 G1384 G1391 | M1383-G1387 PolarHBondContact O-N 3.33Å; G1384-G1387 PolarHBondContact O-N 2.94Å; G1387-G1391 VanDerWaalsContact O-CA 3.28Å; G1387-G1391 WeakPolarHBondContact O-CA 3.45Å; G1387-G1391 PolarHBondContact O-N 3.24Å |
| 1388 | V | 86.1 | Confident | 73.7 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | G1384 V1385 I1386 L1569 R1572 W1577 | G1384-V1388 WeakPolarHBondContact O-CB 3.4Å; G1384-V1388 WeakPolarHBondContact O-CG2 3.5Å; G1384-V1388 PolarHBondContact O-N 2.89Å; V1385-V1388 PolarHBondContact O-N 2.82Å; I1386-V1388 VanDerWaalsContact C-N 3.35Å; I1386-V1388 PolarHBondContact O-N 3.09Å; V1388-L1569 HydrophobicContact CG2-CB 4.45Å; V1388-L1569 HydrophobicContact CG2-CD2 4Å; V1388-R1572 HydrophobicContact CG1-CB 3.78Å; V1388-R1572 HydrophobicContact CG2-CB 4.37Å; V1388-W1577 HydrophobicContact CG2-CZ2 4.38Å |
| 1389 | R | 86.3 | Confident | 72.1 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -85.6 | -38.2 | -172.9 | -174 | 56.3 | 166.8 | 172.3 | 0.1 | 113.8 | L1187 D1191 V1385 I1386 A1435 | L1187-R1389 HydrophobicContact CD2-CB 4.17Å; L1187-R1389 HydrophobicContact CD2-CG 4.12Å; D1191-R1389 IonicContact OD1-CZ 3.15Å; D1191-R1389 IonicContact OD1-NE 2.81Å; D1191-R1389 PolarHBondContact OD1-NE 2.9Å; D1191-R1389 IonicContact OD1-NH2 3.94Å; D1191-R1389 PolarHBondContact OD1-NH2 3.42Å; D1191-R1389 IonicContact OD2-CZ 3.6Å; D1191-R1389 IonicContact OD2-NE 2.74Å; D1191-R1389 PolarHBondContact OD2-NE 2.89Å; D1191-R1389 IonicContact OD2-NH2 2.65Å; D1191-R1389 PolarHBondContact OD2-NH2 3.16Å; V1385-R1389 WeakPolarHBondContact O-CB 3.45Å; V1385-R1389 PolarHBondContact O-N 3.09Å; I1386-R1389 PolarHBondContact O-N 2.61Å; R1389-A1435 PolarHBondContact NH1-O 3.24Å |
| 1390 | F | 82.8 | Confident | 70.4 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -123.5 | 10.7 | -173.2 | -49.8 | -82.4 | 0 | 0 | 0 | 113.5 | L1190 D1191 I1386 S1393 G1487 | L1190-F1390 HydrophobicContact CB-CE2 4Å; L1190-F1390 HydrophobicContact CB-CZ 4.21Å; D1191-F1390 WeakPolarHBondContact OD1-CZ 3.28Å; I1386-F1390 HydrophobicContact CG2-CD2 4.15Å; I1386-F1390 PolarHBondContact O-N 3.45Å; F1390-S1393 PolarHBondContact O-OG 2.85Å; F1390-G1487 WeakPolarHBondContact O-CA 3.34Å |
| 1391 | G | 68.5 | Low | 68.7 | Low | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -78.1 | -19.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1387 T1394 | G1387-G1391 VanDerWaalsContact O-CA 3.28Å; G1387-G1391 WeakPolarHBondContact O-CA 3.45Å; G1387-G1391 PolarHBondContact O-N 3.24Å; G1391-T1394 PolarHBondContact O-OG1 3.16Å |
| 1392 | S | 58 | Low | 67 | Low | 63 Ų | 63 | 48.3 Ų | 48.3 | 44% | 0.441 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18.8 | -173.3 | 45.6 | 0 | 0 | 0 | 0 | 115.3 | T1394 | S1392-T1394 PolarHBondContact O-N 2.97Å; S1392-T1394 VanDerWaalsContact O-N 3.08Å |
| 1393 | S | 49 | Very low | 65.2 | Low | 21 Ų | 21 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8.2 | 177.3 | 31.4 | 0 | 0 | 0 | 0 | 113.9 | F1390 K1395 Q1485 D1486 | F1390-S1393 PolarHBondContact O-OG 2.85Å; S1393-K1395 PolarHBondContact O-N 3.08Å; S1393-Q1485 PolarHBondContact O-OE1 3.49Å; S1393-D1486 PolarHBondContact OG-O 3.12Å |
| 1394 | T | 46.6 | Very low | 63.4 | Low | 43 Ų | 43 | 55.6 Ų | 55.6 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | trans | -71.1 | 83.8 | 174.1 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | G1391 S1392 R1396 F1488 | G1391-T1394 PolarHBondContact O-OG1 3.16Å; S1392-T1394 PolarHBondContact O-N 2.97Å; S1392-T1394 VanDerWaalsContact O-N 3.08Å; T1394-R1396 CarbonylContact O-C 3.59Å; T1394-R1396 PolarHBondContact O-N 2.73Å; T1394-F1488 WeakPolarHBondContact CG2-O 3.43Å | ||
| 1395 | K | 42.4 | Very low | 61.5 | Low | 169 Ų | 169 | 57.2 Ų | 57.2 | 74% | 0.735 | 29% | 0.289 | S | S | * | . | trans | -57.8 | -5.6 | -176.8 | -67.9 | 178.9 | 179.9 | 172.2 | 0 | 115.3 | S1393 | S1393-K1395 PolarHBondContact O-N 3.08Š| ||
| 1396 | R | 44.1 | Very low | 59.5 | Low | 176 Ų | 176 | 62.1 Ų | 62.1 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -108.2 | 106 | 170.7 | -68.2 | -176.1 | 176.8 | -173.3 | 0.3 | 110.7 | T1394 H1398 L1490 | T1394-R1396 CarbonylContact O-C 3.59Å; T1394-R1396 PolarHBondContact O-N 2.73Å; R1396-H1398 PolarHBondContact O-N 3.44Å; R1396-L1490 HydrophobicContact CB-CD2 4.36Å |
| 1397 | R | 48.3 | Very low | 57.5 | Low | 153 Ų | 153 | 68.2 Ų | 68.2 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | trans | -54.3 | 136.4 | 171.6 | -68.5 | -174.4 | -169.4 | -177.6 | 7.1 | 110.7 | V1402 D1405 | R1397-V1402 HydrophobicContact CB-CG2 3.55Å; R1397-D1405 IonicContact CZ-OD2 2.99Å; R1397-D1405 IonicContact NH1-OD2 3.8Å; R1397-D1405 PolarHBondContact NH1-OD2 2.86Å | ||
| 1398 | H | 55.3 | Low | 55.4 | Low | 63 Ų | 63 | 71.4 Ų | 71.4 | 29% | 0.292 | 37% | 0.365 | S | S | . | . | trans | -55.1 | 137.7 | 176.2 | -179.1 | -92.6 | 0 | 0 | 0 | 111.3 | R1396 A1400 V1401 V1402 P1579 | R1396-H1398 PolarHBondContact O-N 3.44Å; H1398-A1400 VanDerWaalsContact C-N 3.27Å; H1398-A1400 PolarHBondContact ND1-N 3.15Å; H1398-A1400 PolarHBondContact O-N 2.68Å; H1398-A1400 VanDerWaalsContact O-N 3.09Å; H1398-V1401 HydrophobicContact CB-CG2 4.41Å; H1398-V1401 WeakPolarHBondContact O-CB 3.44Å; H1398-V1401 PolarHBondContact O-N 3.23Å; H1398-V1402 PolarHBondContact O-N 2.94Å; H1398-P1579 HydrophobicContact CB-CB 4.13Å; H1398-P1579 HydrophobicContact CB-CG 3.79Å | ||
| 1399 | P | 51.2 | Low | 53 | Low | 92 Ų | 92 | 76.1 Ų | 76.1 | 60% | 0.597 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -54.2 | -37.6 | -170.6 | -30 | 36 | 0 | 0 | 0 | 114.9 | V1401 V1402 V1403 | P1399-V1401 VanDerWaalsContact C-N 3.29Å; P1399-V1401 PolarHBondContact O-N 2.93Å; P1399-V1402 PolarHBondContact O-N 3.14Å; P1399-V1403 WeakPolarHBondContact O-CB 3.48Å; P1399-V1403 WeakPolarHBondContact O-CG2 3.44Å; P1399-V1403 PolarHBondContact O-N 3.31Å |
| 1400 | A | 49.4 | Very low | 50.7 | Low | 55 Ų | 55 | 76.3 Ų | 76.3 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -32.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1398 R1404 | H1398-A1400 VanDerWaalsContact C-N 3.27Å; H1398-A1400 PolarHBondContact ND1-N 3.15Å; H1398-A1400 PolarHBondContact O-N 2.68Å; H1398-A1400 VanDerWaalsContact O-N 3.09Å; A1400-R1404 WeakPolarHBondContact O-CB 3.46Å; A1400-R1404 PolarHBondContact O-N 3.2Å |
| 1401 | V | 52.8 | Low | 48 | Very low | 10 Ų | 10 | 83 Ų | 83 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -73.5 | -44.7 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | H1398 P1399 V1403 R1404 D1405 E1578 P1579 | H1398-V1401 HydrophobicContact CB-CG2 4.41Å; H1398-V1401 WeakPolarHBondContact O-CB 3.44Å; H1398-V1401 PolarHBondContact O-N 3.23Å; P1399-V1401 VanDerWaalsContact C-N 3.29Å; P1399-V1401 PolarHBondContact O-N 2.93Å; V1401-V1403 VanDerWaalsContact C-N 3.34Å; V1401-V1403 PolarHBondContact O-N 2.76Å; V1401-R1404 PolarHBondContact O-N 3.25Å; V1401-D1405 WeakPolarHBondContact O-CB 3.39Å; V1401-D1405 VanDerWaalsContact O-CG 3.25Å; V1401-D1405 PolarHBondContact O-N 2.84Å; V1401-E1578 HydrophobicContact CG2-CG 4.32Å; V1401-P1579 HydrophobicContact CG2-CG 3.93Å |
| 1402 | V | 53.9 | Low | 46.2 | Very low | 57 Ų | 57 | 87.4 Ų | 87.4 | 35% | 0.345 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | R1397 H1398 P1399 D1405 L1406 | R1397-V1402 HydrophobicContact CB-CG2 3.55Å; H1398-V1402 PolarHBondContact O-N 2.94Å; P1399-V1402 PolarHBondContact O-N 3.14Å; V1402-D1405 PolarHBondContact O-N 3.45Å; V1402-L1406 HydrophobicContact CG1-CD1 3.96Å; V1402-L1406 HydrophobicContact CG1-CG 4.5Å; V1402-L1406 WeakPolarHBondContact O-CB 3.27Å; V1402-L1406 VanDerWaalsContact O-CG 3.25Å; V1402-L1406 WeakPolarHBondContact O-CG 3.48Å; V1402-L1406 PolarHBondContact O-N 3.43Å |
| 1403 | V | 52.3 | Low | 44.6 | Very low | 80 Ų | 80 | 92.7 Ų | 92.7 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | P1399 V1401 L1406 I1407 | P1399-V1403 WeakPolarHBondContact O-CB 3.48Å; P1399-V1403 WeakPolarHBondContact O-CG2 3.44Å; P1399-V1403 PolarHBondContact O-N 3.31Å; V1401-V1403 VanDerWaalsContact C-N 3.34Å; V1401-V1403 PolarHBondContact O-N 2.76Å; V1403-L1406 PolarHBondContact O-N 3.28Å; V1403-I1407 HydrophobicContact CG1-CD1 3.83Å; V1403-I1407 WeakPolarHBondContact O-CD1 3.39Å; V1403-I1407 VanDerWaalsContact O-CG1 3.24Å; V1403-I1407 WeakPolarHBondContact O-CG1 3.42Å; V1403-I1407 PolarHBondContact O-N 2.83Å |
| 1404 | R | 50.8 | Low | 43.6 | Very low | 73 Ų | 73 | 97.2 Ų | 97.2 | 28% | 0.275 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 177.7 | -156.2 | -164.5 | 72 | -145.3 | -12 | 112.2 | A1400 V1401 I1407 T1408 E1578 | A1400-R1404 WeakPolarHBondContact O-CB 3.46Å; A1400-R1404 PolarHBondContact O-N 3.2Å; V1401-R1404 PolarHBondContact O-N 3.25Å; R1404-I1407 PolarHBondContact O-N 2.73Å; R1404-T1408 PolarHBondContact O-N 2.58Å; R1404-T1408 VanDerWaalsContact O-N 3.08Å; R1404-E1578 IonicContact CZ-OE1 2.68Å; R1404-E1578 IonicContact NH1-OE1 2.74Å; R1404-E1578 PolarHBondContact NH1-OE1 3.24Å; R1404-E1578 IonicContact NH2-OE1 2.67Å; R1404-E1578 PolarHBondContact NH2-OE1 2.78Å |
| 1405 | D | 48.7 | Very low | 42.6 | Very low | 34 Ų | 34 | 103.6 Ų | 103.6 | 18% | 0.182 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176 | -70.2 | -16.7 | 0 | 0 | 0 | 110.8 | R1397 V1401 V1402 I1407 T1408 Q1409 | R1397-D1405 IonicContact CZ-OD2 2.99Å; R1397-D1405 IonicContact NH1-OD2 3.8Å; R1397-D1405 PolarHBondContact NH1-OD2 2.86Å; V1401-D1405 WeakPolarHBondContact O-CB 3.39Å; V1401-D1405 VanDerWaalsContact O-CG 3.25Å; V1401-D1405 PolarHBondContact O-N 2.84Å; V1402-D1405 PolarHBondContact O-N 3.45Å; D1405-I1407 PolarHBondContact O-N 3.21Å; D1405-T1408 PolarHBondContact O-N 3.13Å; D1405-T1408 VanDerWaalsContact O-N 3.1Å; D1405-T1408 PolarHBondContact O-OG1 2.74Å; D1405-Q1409 PolarHBondContact O-N 3.19Å |
| 1406 | L | 49.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 173.5 | -75.5 | 167.7 | 0 | 0 | 0 | 112.7 | V1402 V1403 T1408 Q1409 | V1402-L1406 HydrophobicContact CG1-CD1 3.96Å; V1402-L1406 HydrophobicContact CG1-CG 4.5Å; V1402-L1406 WeakPolarHBondContact O-CB 3.27Å; V1402-L1406 VanDerWaalsContact O-CG 3.25Å; V1402-L1406 WeakPolarHBondContact O-CG 3.48Å; V1402-L1406 PolarHBondContact O-N 3.43Å; V1403-L1406 PolarHBondContact O-N 3.28Å; L1406-T1408 PolarHBondContact O-N 2.9Å; L1406-Q1409 PolarHBondContact O-N 3.4Å |
| 1407 | I | 47 | Very low | 40.9 | Very low | 134 Ų | 134 | 105.2 Ų | 105.2 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -28.5 | 174.9 | -71 | 163.5 | 0 | 0 | 0 | 111.6 | V1403 R1404 D1405 | V1403-I1407 HydrophobicContact CG1-CD1 3.83Å; V1403-I1407 WeakPolarHBondContact O-CD1 3.39Å; V1403-I1407 VanDerWaalsContact O-CG1 3.24Å; V1403-I1407 WeakPolarHBondContact O-CG1 3.42Å; V1403-I1407 PolarHBondContact O-N 2.83Å; R1404-I1407 PolarHBondContact O-N 2.73Å; D1405-I1407 PolarHBondContact O-N 3.21Å |
| 1408 | T | 40.4 | Very low | 39.7 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.5 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | R1404 D1405 L1406 L1637 | R1404-T1408 PolarHBondContact O-N 2.58Å; R1404-T1408 VanDerWaalsContact O-N 3.08Å; D1405-T1408 PolarHBondContact O-N 3.13Å; D1405-T1408 VanDerWaalsContact O-N 3.1Å; D1405-T1408 PolarHBondContact O-OG1 2.74Å; L1406-T1408 PolarHBondContact O-N 2.9Å; T1408-L1637 HydrophobicContact CG2-CD1 4.07Å |
| 1409 | Q | 36.6 | Very low | 38.3 | Very low | 137 Ų | 137 | 110.9 Ų | 110.9 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -96.9 | 125 | 173 | -71.4 | -166.4 | -4 | 0 | 0 | 111.2 | D1405 L1406 L1411 | D1405-Q1409 PolarHBondContact O-N 3.19Å; L1406-Q1409 PolarHBondContact O-N 3.4Å; Q1409-L1411 PolarHBondContact O-N 2.85Å |
| 1410 | P | 37.8 | Very low | 37 | Very low | 56 Ų | 56 | 113.8 Ų | 113.8 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | trans | -68.6 | 115 | 175.2 | -16.2 | 30.6 | 0 | 0 | 0 | 110.3 | V1412 V1847 N1848 | P1410-V1412 VanDerWaalsContact C-N 3.26Å; P1410-V1412 PolarHBondContact O-N 2.88Å; P1410-V1847 HydrophobicContact CG-CB 4.46Å; P1410-N1848 WeakPolarHBondContact CG-OD1 3.11Å | ||
| 1411 | L | 26.2 | Very low | 35.8 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 80% | 0.801 | 59% | 0.594 | S | S | * | * | trans | -70.4 | 76.5 | 178.1 | -95.3 | 163.6 | 0 | 0 | 0 | 112.2 | Q1409 M1413 | Q1409-L1411 PolarHBondContact O-N 2.85Å; L1411-M1413 VanDerWaalsContact C-N 3.34Å; L1411-M1413 PolarHBondContact O-N 3.25Å | ||
| 1412 | V | 31.4 | Very low | 34.4 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 58% | 0.582 | 62% | 0.623 | S | S | * | * | trans | -73.5 | 89 | 165.3 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | P1410 T1414 | P1410-V1412 VanDerWaalsContact C-N 3.26Å; P1410-V1412 PolarHBondContact O-N 2.88Å; V1412-T1414 VanDerWaalsContact C-N 3.3Å; V1412-T1414 HydrophobicContact CG1-CG2 4.2Å; V1412-T1414 PolarHBondContact O-N 2.78Å | ||
| 1413 | M | 23.7 | Very low | 33 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 86% | 0.862 | 65% | 0.647 | S | S | * | * | trans | -70.8 | 84.3 | 171.3 | -83.4 | -165.6 | 165.4 | 0 | 0 | 111.3 | L1411 | L1411-M1413 VanDerWaalsContact C-N 3.34Å; L1411-M1413 PolarHBondContact O-N 3.25Å | ||
| 1414 | T | 27.6 | Very low | 31.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -116 | 111.1 | 160.4 | 45.5 | 0 | 0 | 0 | 0 | 108.9 | V1412 N1416 | V1412-T1414 VanDerWaalsContact C-N 3.3Å; V1412-T1414 HydrophobicContact CG1-CG2 4.2Å; V1412-T1414 PolarHBondContact O-N 2.78Å; T1414-N1416 PolarHBondContact O-N 2.76Å | ||
| 1415 | K | 25.3 | Very low | 30.6 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | -58.7 | 108.4 | 172.7 | -75.2 | -167.4 | 174.4 | -162.8 | 0 | 109.8 | ||||
| 1416 | N | 25.9 | Very low | 29.3 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | 175.4 | 150 | 133.2 | -90.9 | -25.3 | 0 | 0 | 0 | 113.5 | T1414 | T1414-N1416 PolarHBondContact O-N 2.76Š| ||
| 1417 | R | 25.9 | Very low | 28.3 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 92.9 | 123.6 | 167.8 | -63.1 | -169 | 169.7 | -176.3 | -3.9 | 119.4 | ||||
| 1418 | T | 22.9 | Very low | 27.2 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -74.1 | 163.4 | 158.2 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1419 | Y | 25.4 | Very low | 26.4 | Very low | 221 Ų | 221 | 144.5 Ų | 144.5 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | 63.3 | 104.8 | 170.7 | -63.4 | -77.3 | 0 | 0 | 0 | 116.9 | ||||
| 1420 | E | 24 | Very low | 25.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | -156.5 | 133 | 125.4 | -119.3 | 168.2 | -147.5 | 0 | 0 | 110.1 | |||||
| 1421 | V | 23.1 | Very low | 25.2 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 119.1 | 170.2 | 174 | 0 | 0 | 0 | 0 | 106.3 | ||
| 1422 | M | 25.1 | Very low | 25.2 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -92 | 119.7 | 180 | -70.5 | -169.3 | -169.4 | 0 | 0 | 111.6 | ||
| 1423 | N | 23 | Very low | 25.1 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151.5 | 169.8 | -66.2 | -23.5 | 0 | 0 | 0 | 111.3 | ||
| 1424 | Y | 25.9 | Very low | 25.3 | Very low | 204 Ų | 204 | 140 Ų | 140 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 128.2 | 176.1 | -96.4 | -84 | 0 | 0 | 0 | 113.1 | ||
| 1425 | S | 26.8 | Very low | 25.3 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | 50.3 | 107.1 | 151.6 | 56.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1426 | N | 23.1 | Very low | 25.3 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | -65.5 | 134.7 | 129.9 | -81.3 | -36 | 0 | 0 | 0 | 109 | |||||
| 1427 | C | 26.7 | Very low | 25.4 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | trans | -149.4 | 139 | 165.1 | -99.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1428 | G | 24.5 | Very low | 25.4 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -88.6 | 172 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1430 | G1428-A1430 PolarHBondContact O-N 2.88Š| ||
| 1429 | L | 24.1 | Very low | 25.6 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 98% | 0.984 | 72% | 0.723 | S | S | * | * | trans | -64.6 | 107.2 | -173.6 | -69.5 | 146.9 | 0 | 0 | 0 | 114.2 | ||||
| 1430 | A | 23.5 | Very low | 25.6 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -164.2 | 124.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1428 | G1428-A1430 PolarHBondContact O-N 2.88Š| ||
| 1431 | S | 25.5 | Very low | 25.7 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | 71.7 | 109.3 | 165.4 | -160.2 | 0 | 0 | 0 | 0 | 118.6 | C1433 | S1431-C1433 PolarHBondContact O-N 3.29Š| ||
| 1432 | P | 27 | Very low | 25.9 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -85 | 91.4 | 177.3 | 33.9 | -33 | 0 | 0 | 0 | 112.2 | ||
| 1433 | C | 27.3 | Very low | 26 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 44% | 0.439 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -153.3 | 3.5 | 173.5 | -117.5 | 0 | 0 | 0 | 0 | 115.4 | S1431 R1572 | S1431-C1433 PolarHBondContact O-N 3.29Å; C1433-R1572 PolarHBondContact O-NH1 3.19Å |
| 1434 | F | 29.5 | Very low | 26.3 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | trans | -138 | 20.9 | -164.3 | -69.5 | -78.7 | 0 | 0 | 0 | 114.1 | A1436 | F1434-A1436 PolarHBondContact O-N 3.49Š| ||
| 1435 | A | 26.5 | Very low | 26.3 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -77 | 109.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1389 | R1389-A1435 PolarHBondContact NH1-O 3.24Š| ||
| 1436 | A | 26.7 | Very low | 26.2 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | trans | -70 | 143.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | F1434 | F1434-A1436 PolarHBondContact O-N 3.49Š| ||
| 1437 | P | 26 | Very low | 26.5 | Very low | 54 Ų | 54 | 130.1 Ų | 130.1 | 35% | 0.351 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -78.6 | 129.8 | 170.2 | 33.1 | -26.5 | 0 | 0 | 0 | 108.8 | ||
| 1438 | D | 26.1 | Very low | 26.4 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | trans | 165.9 | 87.7 | 160.4 | -93.6 | -15.6 | 0 | 0 | 0 | 107.7 | ||||
| 1439 | N | 27.1 | Very low | 26.4 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | trans | -172.1 | 36 | 161.1 | -104.7 | -12.2 | 0 | 0 | 0 | 113.2 | D1441 | N1439-D1441 PolarHBondContact O-N 3.43Š| ||
| 1440 | D | 25.1 | Very low | 26.5 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | trans | -83.5 | 92.8 | 162.2 | -77.7 | -39.9 | 0 | 0 | 0 | 108.9 | ||||
| 1441 | D | 27.5 | Very low | 26.5 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -165.5 | 135.3 | 154.5 | -127.2 | -21.9 | 0 | 0 | 0 | 112.7 | N1439 | N1439-D1441 PolarHBondContact O-N 3.43Š| ||
| 1442 | N | 27.9 | Very low | 26.5 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | 69.2 | 87.4 | 176.3 | -49.6 | -89.5 | 0 | 0 | 0 | 118 | ||||
| 1443 | N | 27.3 | Very low | 26.5 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | -169.1 | 91.3 | 104.5 | -95.7 | -31.2 | 0 | 0 | 0 | 112.2 | |||||
| 1444 | D | 28.4 | Very low | 26.4 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -139.8 | 116.4 | 150.4 | -113.4 | -36.1 | 0 | 0 | 0 | 109.3 | ||||
| 1445 | R | 25.5 | Very low | 26.2 | Very low | 239 Ų | 239 | 136.6 Ų | 136.6 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -153.2 | 103.4 | 177.9 | -91.7 | -167.9 | 174.5 | -176.5 | 0.8 | 110.1 | ||||
| 1446 | E | 26.1 | Very low | 26.1 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -155.4 | 140 | 143.5 | -131.3 | -173.7 | -134.9 | 0 | 0 | 112.3 | ||||
| 1447 | K | 27.5 | Very low | 26 | Very low | 176 Ų | 176 | 145 Ų | 145 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 69.3 | 139.6 | 170.4 | -57.4 | 156.5 | 179 | 125.3 | 0 | 116.7 | ||||
| 1448 | S | 24.8 | Very low | 25.9 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -171 | 144.3 | -18.7 | 45.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1449 | E | 26 | Very low | 26.3 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 66.1 | 155.6 | 161.1 | -63.8 | -174.1 | 155.6 | 0 | 0 | 117.7 | ||||
| 1450 | M | 24.2 | Very low | 26.2 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 70% | 0.7 | 77% | 0.772 | S | S | * | * | cis | -152.6 | 128.8 | -13.1 | -125.6 | -160.7 | -159.2 | 0 | 0 | 112.8 | ||||
| 1451 | T | 24.2 | Very low | 26.1 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | 48.4 | 148.3 | 143.9 | 59.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1452 | K | 25.4 | Very low | 26 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 77.5 | 144.3 | 154.9 | -68.6 | 151.4 | -177 | 172.1 | 0 | 116.4 | ||||
| 1453 | I | 27.5 | Very low | 25.7 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | cis | -143.5 | 167.5 | 6.7 | -118.4 | 152.4 | 0 | 0 | 0 | 112.3 | ||||
| 1454 | A | 25.3 | Very low | 25.7 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -74.6 | -171.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1455 | A | 24.8 | Very low | 25.4 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | -164 | 169.7 | 10.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1456 | M | 25.3 | Very low | 25.4 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 130.6 | 110 | 146.7 | -70.2 | -176.5 | 103.4 | 0 | 0 | 111.9 | ||||
| 1457 | Q | 23.7 | Very low | 25.4 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 71.1 | 115.6 | 70.9 | -72.3 | -174.2 | -16.8 | 0 | 0 | 113.1 | |||||
| 1458 | V | 24.5 | Very low | 25.3 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | cis | 109.2 | 142.1 | 43.7 | 145.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1459 | P | 35.1 | Very low | 25.3 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -150.6 | -155.2 | -23.8 | 45.9 | -24.9 | 0 | 0 | 0 | 115.8 | ||||
| 1460 | F | 24.2 | Very low | 25.4 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | trans | 94 | 117.2 | 145.5 | -99.9 | -130.8 | 0 | 0 | 0 | 125.1 | ||||
| 1461 | N | 24 | Very low | 25.4 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 51% | 0.513 | 76% | 0.762 | S | S | . | * | 75.2 | 116.8 | 127 | -76.4 | 23.5 | 0 | 0 | 0 | 127.6 | |||||
| 1462 | Q | 23.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | 87.2 | 118.7 | 120.2 | -72.1 | 175.6 | -27.2 | 0 | 0 | 124.3 | |||||
| 1463 | S | 23.1 | Very low | 25.5 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 58.2 | 118 | 139.2 | 61.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1464 | E | 26.4 | Very low | 25.4 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | -163.6 | 158.3 | 108.7 | -108.2 | -177.4 | 179.1 | 0 | 0 | 112 | |||||
| 1465 | E | 21.6 | Very low | 25.3 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -107.1 | 128.4 | 177.7 | -76.3 | -161.7 | 145.2 | 0 | 0 | 112.1 | ||||
| 1466 | V | 25.9 | Very low | 25.2 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -141.3 | 133.1 | 165 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1467 | P | 25.6 | Very low | 25.2 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 131.2 | -174.6 | 29.3 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 1468 | L | 25.6 | Very low | 25.2 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.6 | 179.6 | -86.4 | 160.1 | 0 | 0 | 0 | 113 | ||
| 1469 | S | 25.7 | Very low | 25.2 | Very low | 87 Ų | 87 | 148 Ų | 148 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 165.9 | 167.4 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | Q1471 | S1469-Q1471 PolarHBondContact O-N 3.39Š|
| 1470 | V | 27.1 | Very low | 24.8 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 16.4 | -163.6 | -171 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1471 | Q | 25.7 | Very low | 24.8 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 14.4 | -171.5 | -75.7 | -175.2 | -35.6 | 0 | 0 | 116 | S1469 | S1469-Q1471 PolarHBondContact O-N 3.39Š|
| 1472 | K | 24.7 | Very low | 25 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -126.5 | 49.2 | 178.2 | -76 | -165.8 | 172.3 | -174.7 | 0 | 114.9 | ||||
| 1473 | F | 26.2 | Very low | 25.3 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -101.5 | 20 | 174.1 | -121.6 | -76.5 | 0 | 0 | 0 | 114.5 | ||
| 1474 | S | 24.2 | Very low | 25.7 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -146.3 | 46.2 | -170.7 | 64 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1475 | Q | 24 | Very low | 26.3 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -156.1 | 22.6 | 176.8 | -127.7 | 166.5 | 15.8 | 0 | 0 | 117.3 | ||||
| 1476 | Y | 23.9 | Very low | 27.2 | Very low | 237 Ų | 237 | 136.6 Ų | 136.6 | 93% | 0.929 | 74% | 0.737 | S | S | * | * | trans | -126.5 | 85.4 | 174.3 | -89.2 | -78.4 | 0 | 0 | 0 | 112.1 | ||||
| 1477 | S | 24.7 | Very low | 28.6 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -154.4 | 64.2 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1478 | S | 23.8 | Very low | 30 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -145.2 | 148.7 | 160.2 | 56.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1479 | N | 24.6 | Very low | 31.1 | Very low | 163 Ų | 163 | 119.7 Ų | 119.7 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 61.2 | 68.2 | 177.2 | -56.4 | -7.9 | 0 | 0 | 0 | 116.4 | ||
| 1480 | Q | 25.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 119.5 Ų | 119.5 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | -141.9 | 142.2 | 143.9 | -111.2 | 172.4 | 2.3 | 0 | 0 | 109.1 | ||||
| 1481 | S | 25.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 63% | 0.634 | S | S | * | * | trans | -67.4 | 146.6 | -173.7 | 43.7 | 0 | 0 | 0 | 0 | 112.7 | E1483 | S1481-E1483 PolarHBondContact O-N 3.1Å; S1481-E1483 VanDerWaalsContact O-N 3.16Å | ||
| 1482 | S | 27.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 114.9 Ų | 114.9 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | trans | -78.7 | 94.5 | -170.9 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | I1484 | S1482-I1484 PolarHBondContact O-N 3.45Š| ||
| 1483 | E | 29.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 110 Ų | 110 | 77% | 0.766 | 60% | 0.597 | S | S | * | * | trans | -73.9 | 108.8 | 152.4 | -71.9 | -174.5 | 163.2 | 0 | 0 | 108.7 | S1481 Q1485 | S1481-E1483 PolarHBondContact O-N 3.1Å; S1481-E1483 VanDerWaalsContact O-N 3.16Å; E1483-Q1485 PolarHBondContact O-N 3.32Å | ||
| 1484 | I | 33.4 | Very low | 38.8 | Very low | 114 Ų | 114 | 108.5 Ų | 108.5 | 59% | 0.585 | 59% | 0.586 | S | S | * | * | trans | -82.5 | 108.2 | -176.8 | -58.7 | 175 | 0 | 0 | 0 | 108.8 | S1482 | S1482-I1484 PolarHBondContact O-N 3.45Š| ||
| 1485 | Q | 39.2 | Very low | 41.5 | Very low | 50 Ų | 50 | 104.4 Ų | 104.4 | 23% | 0.234 | 56% | 0.556 | C | S | . | * | trans | -80 | 140.5 | -176.4 | -68.3 | 179.3 | -12.3 | 0 | 0 | 112.7 | S1393 E1483 | S1393-Q1485 PolarHBondContact O-OE1 3.49Å; E1483-Q1485 PolarHBondContact O-N 3.32Å | ||
| 1486 | D | 40.5 | Very low | 44.3 | Very low | 44 Ų | 44 | 96.5 Ų | 96.5 | 24% | 0.235 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -60.8 | 147 | 177.3 | -109.3 | -67.2 | 0 | 0 | 0 | 113.2 | L1195 R1198 S1393 | L1195-D1486 WeakPolarHBondContact CD1-OD2 3.49Å; R1198-D1486 IonicContact CZ-OD1 3.91Å; R1198-D1486 IonicContact NE-OD1 2.79Å; R1198-D1486 PolarHBondContact NE-OD1 3.09Å; R1198-D1486 VanDerWaalsContact NE-OD1 3.08Å; R1198-D1486 IonicContact NH2-OD1 2.75Å; R1198-D1486 PolarHBondContact NH2-OD1 2.96Å; R1198-D1486 IonicContact NH2-OD2 3.28Å; R1198-D1486 PolarHBondContact NH2-OD2 2.91Å; S1393-D1486 PolarHBondContact OG-O 3.12Å |
| 1487 | G | 55 | Low | 47.1 | Very low | 27 Ų | 27 | 89.9 Ų | 89.9 | 28% | 0.278 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 87.9 | -136.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1390 G1489 | F1390-G1487 WeakPolarHBondContact O-CA 3.34Å; G1487-G1489 PolarHBondContact O-N 2.8Å |
| 1488 | F | 55.2 | Low | 49.8 | Very low | 11 Ų | 11 | 86.1 Ų | 86.1 | 5% | 0.048 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -73.5 | 80.3 | 172 | -67.7 | -36.1 | 0 | 0 | 0 | 109.5 | M1383 T1394 L1495 A1496 V1576 W1577 | M1383-F1488 HydrophobicContact CE-CE1 3.63Å; M1383-F1488 HydrophobicContact CE-CZ 4.12Å; T1394-F1488 WeakPolarHBondContact CG2-O 3.43Å; F1488-L1495 HydrophobicContact CD1-CD2 4.03Å; F1488-L1495 HydrophobicContact CD1-CG 4.14Å; F1488-L1495 HydrophobicContact CE1-CB 4.43Å; F1488-L1495 HydrophobicContact CE1-CD2 3.71Å; F1488-L1495 HydrophobicContact CE1-CG 3.64Å; F1488-L1495 HydrophobicContact CZ-CG 4.34Å; F1488-A1496 HydrophobicContact CD2-CB 3.86Å; F1488-A1496 HydrophobicContact CE2-CB 4.15Å; F1488-A1496 HydrophobicContact CG-CB 4.45Å; F1488-V1576 HydrophobicContact CD2-CG1 4.33Å; F1488-W1577 AromaticContact CE2-CH2 3.94Å; F1488-W1577 HydrophobicContact CE2-CH2 3.94Å; F1488-W1577 AromaticContact CE2-CZ3 3.93Å; F1488-W1577 HydrophobicContact CE2-CZ3 3.93Å |
| 1489 | G | 48.6 | Very low | 52.8 | Low | 19 Ų | 19 | 81.1 Ų | 81.1 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | trans | -54.4 | 163.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1487 D1491 N1492 | G1487-G1489 PolarHBondContact O-N 2.8Å; G1489-D1491 PolarHBondContact O-N 3.32Å; G1489-N1492 WeakPolarHBondContact O-CB 3.45Å; G1489-N1492 PolarHBondContact O-N 3.04Å | ||
| 1490 | L | 40.5 | Very low | 55.9 | Low | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -32.5 | -168.1 | -83.4 | 145.5 | 0 | 0 | 0 | 116 | R1396 N1493 | R1396-L1490 HydrophobicContact CB-CD2 4.36Å; L1490-N1493 PolarHBondContact O-ND2 3.14Å |
| 1491 | D | 47.9 | Very low | 58.7 | Low | 148 Ų | 148 | 67.3 Ų | 67.3 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -22.8 | -179.9 | -51.8 | -58.3 | 0 | 0 | 0 | 113.2 | G1489 N1493 | G1489-D1491 PolarHBondContact O-N 3.32Å; D1491-N1493 PolarHBondContact O-N 3.38Å; D1491-N1493 VanDerWaalsContact O-N 3.07Å |
| 1492 | N | 59.6 | Low | 61.5 | Low | 74 Ų | 74 | 61.9 Ų | 61.9 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 25.4 | -174.5 | -83.7 | -30.7 | 0 | 0 | 0 | 114.7 | G1489 Y1494 L1495 A1496 | G1489-N1492 WeakPolarHBondContact O-CB 3.45Å; G1489-N1492 PolarHBondContact O-N 3.04Å; N1492-Y1494 PolarHBondContact O-N 3.01Å; N1492-L1495 HydrophobicContact CB-CB 4.32Å; N1492-L1495 PolarHBondContact O-N 2.92Å; N1492-A1496 PolarHBondContact O-N 2.84Å |
| 1493 | N | 68 | Low | 64.4 | Low | 69 Ų | 69 | 56.9 Ų | 56.9 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.3 | -32.8 | 169.5 | -80.5 | -67.6 | 0 | 0 | 0 | 112.4 | L1490 D1491 R1497 Y1580 | L1490-N1493 PolarHBondContact O-ND2 3.14Å; D1491-N1493 PolarHBondContact O-N 3.38Å; D1491-N1493 VanDerWaalsContact O-N 3.07Å; N1493-R1497 WeakPolarHBondContact O-CB 3.17Å; N1493-R1497 PolarHBondContact O-N 2.93Å; N1493-Y1580 WeakPolarHBondContact CB-OH 3.36Å; N1493-Y1580 PolarHBondContact O-OH 3.24Å; N1493-Y1580 PolarHBondContact OD1-OH 3.28Å |
| 1494 | Y | 73.9 | Confident | 67.1 | Low | 174 Ų | 174 | 49.6 Ų | 49.6 | 68% | 0.682 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.5 | -45.1 | 171.2 | -85 | -88.4 | 0 | 0 | 0 | 112.7 | N1492 R1497 S1498 | N1492-Y1494 PolarHBondContact O-N 3.01Å; Y1494-R1497 WeakPolarHBondContact O-CB 3.25Å; Y1494-R1497 PolarHBondContact O-N 2.87Å; Y1494-S1498 PolarHBondContact O-N 2.79Å; Y1494-S1498 PolarHBondContact O-OG 2.97Å |
| 1495 | L | 81.8 | Confident | 69.3 | Low | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.9 | -39.4 | -177.1 | -177.5 | 53.7 | 0 | 0 | 0 | 112 | V1202 S1206 L1209 M1383 F1488 N1492 R1497 S1498 T1499 | V1202-L1495 HydrophobicContact CG1-CD2 3.77Å; S1206-L1495 VanDerWaalsContact CB-CD1 3.43Å; L1209-L1495 HydrophobicContact CD1-CD1 3.59Å; M1383-L1495 HydrophobicContact CE-CD1 4.3Å; M1383-L1495 HydrophobicContact CE-CD2 3.82Å; M1383-L1495 HydrophobicContact CE-CG 4.21Å; F1488-L1495 HydrophobicContact CD1-CD2 4.03Å; F1488-L1495 HydrophobicContact CD1-CG 4.14Å; F1488-L1495 HydrophobicContact CE1-CB 4.43Å; F1488-L1495 HydrophobicContact CE1-CD2 3.71Å; F1488-L1495 HydrophobicContact CE1-CG 3.64Å; F1488-L1495 HydrophobicContact CZ-CG 4.34Å; N1492-L1495 HydrophobicContact CB-CB 4.32Å; N1492-L1495 PolarHBondContact O-N 2.92Å; L1495-R1497 VanDerWaalsContact C-N 3.32Å; L1495-R1497 PolarHBondContact O-N 3.4Å; L1495-S1498 PolarHBondContact O-N 2.83Å; L1495-T1499 WeakPolarHBondContact O-CB 3.16Å; L1495-T1499 PolarHBondContact O-N 2.9Å; L1495-T1499 PolarHBondContact O-OG1 3.49Å |
| 1496 | A | 81.8 | Confident | 71.3 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1488 N1492 Y1500 Y1580 | F1488-A1496 HydrophobicContact CD2-CB 3.86Å; F1488-A1496 HydrophobicContact CE2-CB 4.15Å; F1488-A1496 HydrophobicContact CG-CB 4.45Å; N1492-A1496 PolarHBondContact O-N 2.84Å; A1496-Y1500 WeakPolarHBondContact O-CB 3.08Å; A1496-Y1500 PolarHBondContact O-N 2.82Å; A1496-Y1580 HydrophobicContact CB-CE2 3.93Å |
| 1497 | R | 82.8 | Confident | 73.3 | Confident | 99 Ų | 99 | 41 Ų | 41 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 176.1 | -177.6 | 178 | 178.5 | 152.2 | 3.8 | 112.8 | N1493 Y1494 L1495 Y1500 Q1501 Y1580 | N1493-R1497 WeakPolarHBondContact O-CB 3.17Å; N1493-R1497 PolarHBondContact O-N 2.93Å; Y1494-R1497 WeakPolarHBondContact O-CB 3.25Å; Y1494-R1497 PolarHBondContact O-N 2.87Å; L1495-R1497 VanDerWaalsContact C-N 3.32Å; L1495-R1497 PolarHBondContact O-N 3.4Å; R1497-Y1500 PolarHBondContact O-N 2.92Å; R1497-Q1501 WeakPolarHBondContact O-CG 3.29Å; R1497-Q1501 PolarHBondContact O-N 3.33Å; R1497-Y1580 HydrophobicContact CB-CD1 3.86Å; R1497-Y1580 HydrophobicContact CB-CD2 4.44Å; R1497-Y1580 HydrophobicContact CB-CE1 3.86Å; R1497-Y1580 HydrophobicContact CB-CE2 4.44Å; R1497-Y1580 HydrophobicContact CB-CG 4.16Å; R1497-Y1580 HydrophobicContact CG-CD1 3.87Å; R1497-Y1580 HydrophobicContact CG-CE1 4.25Å; R1497-Y1580 HydrophobicContact CG-CG 4.29Å |
| 1498 | S | 82.1 | Confident | 74.4 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | Y1494 L1495 Q1501 C1502 | Y1494-S1498 PolarHBondContact O-N 2.79Å; Y1494-S1498 PolarHBondContact O-OG 2.97Å; L1495-S1498 PolarHBondContact O-N 2.83Å; S1498-Q1501 PolarHBondContact O-N 2.9Å; S1498-C1502 PolarHBondContact O-N 2.83Å; S1498-C1502 PolarHBondContact O-SG 3Å |
| 1499 | T | 87.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 172.2 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | M1383 L1495 Q1501 C1502 L1503 W1577 | M1383-T1499 HydrophobicContact CB-CG2 4.06Å; L1495-T1499 WeakPolarHBondContact O-CB 3.16Å; L1495-T1499 PolarHBondContact O-N 2.9Å; L1495-T1499 PolarHBondContact O-OG1 3.49Å; T1499-Q1501 PolarHBondContact O-N 2.87Å; T1499-C1502 WeakPolarHBondContact O-CB 3.32Å; T1499-C1502 PolarHBondContact O-N 2.85Å; T1499-L1503 HydrophobicContact CG2-CD1 4.03Å; T1499-L1503 VanDerWaalsContact O-CG 3.27Å; T1499-L1503 WeakPolarHBondContact O-CG 3.48Å; T1499-L1503 PolarHBondContact O-N 2.88Å; T1499-W1577 HydrophobicContact CG2-CH2 3.6Å; T1499-W1577 HydrophobicContact CG2-CZ2 4.41Å; T1499-W1577 HydrophobicContact CG2-CZ3 4.01Å |
| 1500 | Y | 88.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 173.3 | 167.1 | -102 | 0 | 0 | 0 | 113.3 | A1496 R1497 C1502 L1503 S1504 L1570 W1577 Y1580 V1581 | A1496-Y1500 WeakPolarHBondContact O-CB 3.08Å; A1496-Y1500 PolarHBondContact O-N 2.82Å; R1497-Y1500 PolarHBondContact O-N 2.92Å; Y1500-C1502 VanDerWaalsContact C-N 3.29Å; Y1500-C1502 PolarHBondContact O-N 2.89Å; Y1500-L1503 PolarHBondContact O-N 3.3Å; Y1500-S1504 VanDerWaalsContact O-CB 3.31Å; Y1500-S1504 WeakPolarHBondContact O-CB 3.34Å; Y1500-S1504 PolarHBondContact O-N 3.01Å; Y1500-S1504 PolarHBondContact O-OG 2.96Å; Y1500-L1570 HydrophobicContact CD2-CD2 3.76Å; Y1500-L1570 HydrophobicContact CE2-CD2 3.97Å; Y1500-W1577 HydrophobicContact CD2-CB 4.18Å; Y1500-Y1580 WeakPolarHBondContact CE1-O 3.4Å; Y1500-V1581 HydrophobicContact CD2-CG2 3.73Å; Y1500-V1581 HydrophobicContact CE2-CB 4.25Å; Y1500-V1581 HydrophobicContact CE2-CG2 3.35Å |
| 1501 | Q | 85 | Confident | 74.9 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 176.3 | -74.2 | 172.4 | -69.8 | 0 | 0 | 111.7 | F1212 R1497 S1498 T1499 S1504 A1505 | F1212-Q1501 HydrophobicContact CB-CB 4.11Å; F1212-Q1501 HydrophobicContact CD2-CB 4.06Å; F1212-Q1501 HydrophobicContact CG-CB 4.08Å; R1497-Q1501 WeakPolarHBondContact O-CG 3.29Å; R1497-Q1501 PolarHBondContact O-N 3.33Å; S1498-Q1501 PolarHBondContact O-N 2.9Å; T1499-Q1501 PolarHBondContact O-N 2.87Å; Q1501-S1504 WeakPolarHBondContact CA-OG 3.34Å; Q1501-S1504 PolarHBondContact O-OG 2.7Å; Q1501-A1505 VanDerWaalsContact O-CB 3.27Å; Q1501-A1505 WeakPolarHBondContact O-CB 3.28Å; Q1501-A1505 PolarHBondContact O-N 3.19Å |
| 1502 | C | 85.1 | Confident | 74.3 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -47.2 | 174.8 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | F1212 I1380 S1498 T1499 Y1500 L1506 | F1212-C1502 HydrophobicContact CE2-CB 4.26Å; I1380-C1502 HydrophobicContact CD1-CB 3.91Å; I1380-C1502 HydrophobicContact CG1-CB 3.73Å; I1380-C1502 HydrophobicContact CG2-CB 4.02Å; S1498-C1502 PolarHBondContact O-N 2.83Å; S1498-C1502 PolarHBondContact O-SG 3Å; T1499-C1502 WeakPolarHBondContact O-CB 3.32Å; T1499-C1502 PolarHBondContact O-N 2.85Å; Y1500-C1502 VanDerWaalsContact C-N 3.29Å; Y1500-C1502 PolarHBondContact O-N 2.89Å; C1502-L1506 PolarHBondContact O-N 3.44Å |
| 1503 | L | 87.9 | Confident | 73 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -179.3 | -64.9 | 167.8 | 0 | 0 | 0 | 112.2 | I1380 T1499 Y1500 L1506 L1507 A1566 L1569 L1570 W1577 | I1380-L1503 HydrophobicContact CG2-CD2 3.85Å; I1380-L1503 HydrophobicContact CG2-CG 4.38Å; T1499-L1503 HydrophobicContact CG2-CD1 4.03Å; T1499-L1503 VanDerWaalsContact O-CG 3.27Å; T1499-L1503 WeakPolarHBondContact O-CG 3.48Å; T1499-L1503 PolarHBondContact O-N 2.88Å; Y1500-L1503 PolarHBondContact O-N 3.3Å; L1503-L1506 WeakPolarHBondContact O-CB 3.28Å; L1503-L1506 PolarHBondContact O-N 3.3Å; L1503-L1507 PolarHBondContact O-N 2.89Å; L1503-A1566 HydrophobicContact CB-CB 4.41Å; L1503-A1566 HydrophobicContact CD2-CB 3.9Å; L1503-L1569 HydrophobicContact CD2-CB 4.19Å; L1503-L1569 HydrophobicContact CD2-CD1 4.37Å; L1503-L1570 HydrophobicContact CB-CD1 4.16Å; L1503-L1570 HydrophobicContact CB-CD2 3.81Å; L1503-L1570 HydrophobicContact CB-CG 3.84Å; L1503-L1570 HydrophobicContact CD1-CD2 4.25Å; L1503-L1570 HydrophobicContact CD1-CG 4.5Å; L1503-W1577 HydrophobicContact CD1-CD2 4.46Å; L1503-W1577 HydrophobicContact CD1-CH2 4.27Å; L1503-W1577 HydrophobicContact CD1-CZ2 3.79Å |
| 1504 | S | 84.8 | Confident | 71.5 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.4 | -36.2 | 178.5 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | Y1500 Q1501 L1506 L1507 F1508 | Y1500-S1504 VanDerWaalsContact O-CB 3.31Å; Y1500-S1504 WeakPolarHBondContact O-CB 3.34Å; Y1500-S1504 PolarHBondContact O-N 3.01Å; Y1500-S1504 PolarHBondContact O-OG 2.96Å; Q1501-S1504 WeakPolarHBondContact CA-OG 3.34Å; Q1501-S1504 PolarHBondContact O-OG 2.7Å; S1504-L1506 VanDerWaalsContact C-N 3.26Å; S1504-L1506 PolarHBondContact O-N 3Å; S1504-L1507 PolarHBondContact O-N 3.35Å; S1504-F1508 WeakPolarHBondContact O-CB 3.18Å; S1504-F1508 WeakPolarHBondContact O-CD2 3.3Å; S1504-F1508 WeakPolarHBondContact O-CG 3.39Å; S1504-F1508 PolarHBondContact O-N 2.86Å |
| 1505 | A | 79.5 | Confident | 69.3 | Low | 25 Ų | 25 | 42.5 Ų | 42.5 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1212 Q1501 N1509 | F1212-A1505 HydrophobicContact CE1-CB 3.89Å; F1212-A1505 HydrophobicContact CZ-CB 3.64Å; Q1501-A1505 VanDerWaalsContact O-CB 3.27Å; Q1501-A1505 WeakPolarHBondContact O-CB 3.28Å; Q1501-A1505 PolarHBondContact O-N 3.19Å; A1505-N1509 PolarHBondContact O-N 2.77Å |
| 1506 | L | 81.5 | Confident | 66.6 | Low | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 172.7 | -79 | 161.9 | 0 | 0 | 0 | 112.5 | I1380 C1502 L1503 S1504 L1554 L1562 R1563 A1566 | I1380-L1506 HydrophobicContact CD1-CD1 4.4Å; I1380-L1506 HydrophobicContact CG2-CD1 3.85Å; C1502-L1506 PolarHBondContact O-N 3.44Å; L1503-L1506 WeakPolarHBondContact O-CB 3.28Å; L1503-L1506 PolarHBondContact O-N 3.3Å; S1504-L1506 VanDerWaalsContact C-N 3.26Å; S1504-L1506 PolarHBondContact O-N 3Å; L1506-L1554 HydrophobicContact CD2-CD1 3.79Å; L1506-L1554 HydrophobicContact CD2-CD2 3.54Å; L1506-L1554 HydrophobicContact CD2-CG 4.11Å; L1506-L1554 HydrophobicContact CG-CD1 4.07Å; L1506-L1562 HydrophobicContact CD1-CD1 4.27Å; L1506-L1562 HydrophobicContact CD1-CD2 4.36Å; L1506-L1562 HydrophobicContact CD1-CG 3.94Å; L1506-L1562 HydrophobicContact CD2-CB 4.48Å; L1506-L1562 HydrophobicContact CD2-CD2 3.82Å; L1506-L1562 HydrophobicContact CD2-CG 3.73Å; L1506-R1563 WeakPolarHBondContact O-CD 3.32Å; L1506-R1563 WeakPolarHBondContact O-CG 3.3Å; L1506-R1563 PolarHBondContact O-NE 3.21Å; L1506-A1566 HydrophobicContact CB-CB 3.53Å; L1506-A1566 HydrophobicContact CD1-CB 3.79Å; L1506-A1566 HydrophobicContact CG-CB 4.27Å |
| 1507 | L | 84 | Confident | 63.8 | Low | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 175.9 | 179 | 65.8 | 0 | 0 | 0 | 111.5 | L1503 S1504 R1563 I1567 L1570 V1586 V1589 L1590 L1593 | L1503-L1507 PolarHBondContact O-N 2.89Å; S1504-L1507 PolarHBondContact O-N 3.35Å; L1507-R1563 PolarHBondContact O-NE 3.2Å; L1507-R1563 PolarHBondContact O-NH2 3.18Å; L1507-I1567 HydrophobicContact CD1-CD1 4.38Å; L1507-I1567 HydrophobicContact CD1-CG1 3.75Å; L1507-L1570 HydrophobicContact CB-CD1 4.07Å; L1507-L1570 HydrophobicContact CD2-CD1 4.01Å; L1507-V1586 HydrophobicContact CD2-CB 4.32Å; L1507-V1586 HydrophobicContact CD2-CG1 4.07Å; L1507-V1586 HydrophobicContact CD2-CG2 3.97Å; L1507-V1589 HydrophobicContact CD1-CG1 3.87Å; L1507-V1589 HydrophobicContact CG-CG1 4.02Å; L1507-L1590 HydrophobicContact CD1-CD2 4.19Å; L1507-L1593 HydrophobicContact CD1-CD1 4.45Å |
| 1508 | F | 77.2 | Confident | 61.2 | Low | 19 Ų | 19 | 51.7 Ų | 51.7 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -88.2 | -5.1 | -172 | -55 | -45.1 | 0 | 0 | 0 | 114.7 | S1504 G1510 G1511 Y1512 H1585 V1586 V1589 | S1504-F1508 WeakPolarHBondContact O-CB 3.18Å; S1504-F1508 WeakPolarHBondContact O-CD2 3.3Å; S1504-F1508 WeakPolarHBondContact O-CG 3.39Å; S1504-F1508 PolarHBondContact O-N 2.86Å; F1508-G1510 VanDerWaalsContact C-N 3.26Å; F1508-G1510 PolarHBondContact O-N 2.83Å; F1508-G1510 VanDerWaalsContact O-N 3.11Å; F1508-G1511 PolarHBondContact O-N 2.92Å; F1508-Y1512 HydrophobicContact CB-CD2 4.34Å; F1508-Y1512 AromaticContact CD2-CD2 3.67Å; F1508-Y1512 HydrophobicContact CD2-CD2 3.67Å; F1508-Y1512 AromaticContact CD2-CE2 3.39Å; F1508-Y1512 HydrophobicContact CD2-CE2 3.39Å; F1508-Y1512 HydrophobicContact CE2-CD2 4.36Å; F1508-Y1512 AromaticContact CE2-CE2 3.62Å; F1508-Y1512 HydrophobicContact CE2-CE2 3.62Å; F1508-Y1512 HydrophobicContact CG-CD2 4.29Å; F1508-Y1512 HydrophobicContact CG-CE2 4.24Å; F1508-H1585 AromaticContact CD1-CD2 3.79Å; F1508-H1585 AromaticContact CD1-NE2 3.98Å; F1508-H1585 AromaticContact CE1-CD2 3.32Å; F1508-H1585 WeakPolarHBondContact CE1-CD2 3.18Å; F1508-H1585 AromaticContact CE1-NE2 3.98Å; F1508-H1585 HydrophobicContact CZ-CB 4.31Å; F1508-H1585 AromaticContact CZ-CD2 3.75Å; F1508-V1586 HydrophobicContact CE1-CG2 4.48Å; F1508-V1586 HydrophobicContact CZ-CG2 3.77Å; F1508-V1589 HydrophobicContact CD1-CB 4.41Å; F1508-V1589 HydrophobicContact CD1-CG1 4.42Å; F1508-V1589 HydrophobicContact CD1-CG2 3.95Å; F1508-V1589 HydrophobicContact CE1-CB 4.21Å; F1508-V1589 HydrophobicContact CE1-CG2 3.91Å |
| 1509 | N | 63.9 | Low | 58.4 | Low | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.3 | 166 | -150.6 | 108.7 | 0 | 0 | 0 | 114.4 | A1505 M1558 | A1505-N1509 PolarHBondContact O-N 2.77Å; N1509-M1558 HydrophobicContact CB-SD 4.27Å; N1509-M1558 PolarHBondContact OD1-SD 2.95Å; N1509-M1558 VanDerWaalsContact OD1-SD 3.4Å |
| 1510 | G | 50.7 | Low | 55.6 | Low | 59 Ų | 59 | 64.2 Ų | 64.2 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -0.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1508 Y1512 | F1508-G1510 VanDerWaalsContact C-N 3.26Å; F1508-G1510 PolarHBondContact O-N 2.83Å; F1508-G1510 VanDerWaalsContact O-N 3.11Å; G1510-Y1512 PolarHBondContact O-N 3.14Å; G1510-Y1512 VanDerWaalsContact O-N 3.14Å |
| 1511 | G | 39.4 | Very low | 52.8 | Low | 61 Ų | 61 | 71.3 Ų | 71.3 | 63% | 0.629 | 42% | 0.421 | S | S | * | . | trans | -68.2 | -5.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F1508 | F1508-G1511 PolarHBondContact O-N 2.92Š| ||
| 1512 | Y | 37.1 | Very low | 50 | Low | 114 Ų | 114 | 74.4 Ų | 74.4 | 45% | 0.447 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -85.9 | 130.5 | 167.1 | -95.8 | -108 | 0 | 0 | 0 | 109.5 | F1508 G1510 V1514 | F1508-Y1512 HydrophobicContact CB-CD2 4.34Å; F1508-Y1512 AromaticContact CD2-CD2 3.67Å; F1508-Y1512 HydrophobicContact CD2-CD2 3.67Å; F1508-Y1512 AromaticContact CD2-CE2 3.39Å; F1508-Y1512 HydrophobicContact CD2-CE2 3.39Å; F1508-Y1512 HydrophobicContact CE2-CD2 4.36Å; F1508-Y1512 AromaticContact CE2-CE2 3.62Å; F1508-Y1512 HydrophobicContact CE2-CE2 3.62Å; F1508-Y1512 HydrophobicContact CG-CD2 4.29Å; F1508-Y1512 HydrophobicContact CG-CE2 4.24Å; G1510-Y1512 PolarHBondContact O-N 3.14Å; G1510-Y1512 VanDerWaalsContact O-N 3.14Å; Y1512-V1514 VanDerWaalsContact C-N 3.28Å; Y1512-V1514 PolarHBondContact O-N 2.95Å |
| 1513 | P | 31.1 | Very low | 47.4 | Very low | 107 Ų | 107 | 80.4 Ų | 80.4 | 70% | 0.695 | 48% | 0.478 | S | S | * | . | trans | -69.9 | 87.6 | 173 | 30 | -34 | 0 | 0 | 0 | 109.7 | L1515 | P1513-L1515 VanDerWaalsContact C-N 3.29Å; P1513-L1515 PolarHBondContact O-N 3.44Å | ||
| 1514 | V | 36.8 | Very low | 44.4 | Very low | 93 Ų | 93 | 88.4 Ų | 88.4 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | trans | -65 | 96.5 | 159.7 | 179.3 | 0 | 0 | 0 | 0 | 105.8 | Y1512 L1516 | Y1512-V1514 VanDerWaalsContact C-N 3.28Å; Y1512-V1514 PolarHBondContact O-N 2.95Å; V1514-L1516 HydrophobicContact CG1-CD1 4.21Å; V1514-L1516 HydrophobicContact CG1-CG 4.19Å; V1514-L1516 PolarHBondContact O-N 3.11Å | ||
| 1515 | L | 26.9 | Very low | 42 | Very low | 152 Ų | 152 | 92.1 Ų | 92.1 | 80% | 0.796 | 53% | 0.533 | S | S | * | . | trans | -72.5 | 67.2 | -178.2 | -71.5 | 172.8 | 0 | 0 | 0 | 111.4 | P1513 | P1513-L1515 VanDerWaalsContact C-N 3.29Å; P1513-L1515 PolarHBondContact O-N 3.44Å | ||
| 1516 | L | 25.8 | Very low | 39.8 | Very low | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | trans | -77.2 | 133.8 | 153 | -72.6 | 165.1 | 0 | 0 | 0 | 107.7 | V1514 T1518 | V1514-L1516 HydrophobicContact CG1-CD1 4.21Å; V1514-L1516 HydrophobicContact CG1-CG 4.19Å; V1514-L1516 PolarHBondContact O-N 3.11Å; L1516-T1518 PolarHBondContact O-N 3Å | ||
| 1517 | P | 23 | Very low | 37.5 | Very low | 129 Ų | 129 | 101.8 Ų | 101.8 | 84% | 0.838 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -82.2 | 81.9 | -172.3 | 32.6 | -35.8 | 0 | 0 | 0 | 112.1 | ||
| 1518 | T | 27.4 | Very low | 35.1 | Very low | 100 Ų | 100 | 105.4 Ų | 105.4 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | trans | -144.3 | 126.2 | 172.2 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | L1516 I1520 | L1516-T1518 PolarHBondContact O-N 3Å; T1518-I1520 PolarHBondContact O-N 3.38Å | ||
| 1519 | D | 25 | Very low | 33.1 | Very low | 146 Ų | 146 | 111 Ų | 111 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | trans | -68.6 | 123.8 | 173.1 | -71.5 | -71.2 | 0 | 0 | 0 | 111.8 | N1521 | D1519-N1521 VanDerWaalsContact C-N 3.31Å; D1519-N1521 PolarHBondContact O-N 2.79Å | ||
| 1520 | I | 27.3 | Very low | 31.6 | Very low | 156 Ų | 156 | 115 Ų | 115 | 80% | 0.8 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.8 | -176.4 | -70.2 | 172.8 | 0 | 0 | 0 | 112.7 | T1518 N1522 | T1518-I1520 PolarHBondContact O-N 3.38Å; I1520-N1522 VanDerWaalsContact C-N 3.28Å; I1520-N1522 PolarHBondContact O-N 2.79Å |
| 1521 | N | 28.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 118.3 Ų | 118.3 | 86% | 0.861 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 12.6 | -175.4 | -74.3 | -13.2 | 0 | 0 | 0 | 115.1 | D1519 | D1519-N1521 VanDerWaalsContact C-N 3.31Å; D1519-N1521 PolarHBondContact O-N 2.79Å |
| 1522 | N | 27.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | trans | -126.8 | 108 | 178.5 | -150.1 | 16.4 | 0 | 0 | 0 | 110.8 | I1520 E1524 | I1520-N1522 VanDerWaalsContact C-N 3.28Å; I1520-N1522 PolarHBondContact O-N 2.79Å; N1522-E1524 PolarHBondContact O-N 3Å | ||
| 1523 | P | 29.3 | Very low | 30 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -77.5 | -5.7 | -174.5 | 31.7 | -35.5 | 0 | 0 | 0 | 114 | ||
| 1524 | E | 25.7 | Very low | 30.1 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -111.3 | 87.3 | -179.1 | -65.6 | -175.5 | 165.4 | 0 | 0 | 110.9 | N1522 | N1522-E1524 PolarHBondContact O-N 3Š| ||
| 1525 | I | 33.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 45% | 0.451 | 64% | 0.635 | S | S | . | * | trans | -121 | 109.2 | 164.4 | -61.8 | -179.5 | 0 | 0 | 0 | 108.1 | W1527 | I1525-W1527 PolarHBondContact O-N 3.37Å; I1525-W1527 VanDerWaalsContact O-N 3.14Å | ||
| 1526 | D | 33.8 | Very low | 30 | Very low | 64 Ų | 64 | 120.6 Ų | 120.6 | 34% | 0.342 | 64% | 0.639 | S | S | . | * | trans | -75.2 | 97.6 | 176.4 | -179.3 | 6.2 | 0 | 0 | 0 | 110 | N1528 K1529 | D1526-N1528 PolarHBondContact O-N 2.97Å; D1526-N1528 VanDerWaalsContact O-N 3.09Å; D1526-N1528 WeakPolarHBondContact OD1-CB 3.21Å; D1526-N1528 PolarHBondContact OD1-N 3.43Å; D1526-K1529 PolarHBondContact O-N 3.22Å; D1526-K1529 VanDerWaalsContact O-N 3.12Å | ||
| 1527 | W | 34 | Very low | 30.1 | Very low | 168 Ų | 168 | 120 Ų | 120 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.7 | -23 | -176.9 | -74.3 | 89.6 | 0 | 0 | 0 | 114 | I1525 F1530 H1531 | I1525-W1527 PolarHBondContact O-N 3.37Å; I1525-W1527 VanDerWaalsContact O-N 3.14Å; W1527-F1530 PolarHBondContact O-N 3.41Å; W1527-H1531 PolarHBondContact O-N 2.85Å |
| 1528 | N | 33.5 | Very low | 30.3 | Very low | 77 Ų | 77 | 125 Ų | 125 | 41% | 0.412 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.1 | -43.5 | 177.2 | -66.3 | -34.6 | 0 | 0 | 0 | 111.2 | Y820 D1526 F1530 H1531 E1532 | Y820-N1528 PolarHBondContact O-ND2 2.82Å; D1526-N1528 PolarHBondContact O-N 2.97Å; D1526-N1528 VanDerWaalsContact O-N 3.09Å; D1526-N1528 WeakPolarHBondContact OD1-CB 3.21Å; D1526-N1528 PolarHBondContact OD1-N 3.43Å; N1528-F1530 VanDerWaalsContact C-N 3.35Å; N1528-F1530 PolarHBondContact O-N 3.01Å; N1528-H1531 VanDerWaalsContact O-CB 3.31Å; N1528-H1531 WeakPolarHBondContact O-CB 3.24Å; N1528-H1531 PolarHBondContact O-N 3.26Å; N1528-H1531 VanDerWaalsContact O-N 3.1Å; N1528-E1532 PolarHBondContact O-N 3.01Å |
| 1529 | K | 34.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 60% | 0.596 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.4 | -32 | 176.9 | -83.4 | 177.2 | 174.2 | 167.9 | 0 | 113.7 | D1526 H1531 E1532 | D1526-K1529 PolarHBondContact O-N 3.22Å; D1526-K1529 VanDerWaalsContact O-N 3.12Å; K1529-H1531 PolarHBondContact O-N 2.86Å; K1529-E1532 PolarHBondContact O-N 3.23Å |
| 1530 | F | 32.5 | Very low | 31.1 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 50% | 0.5 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.5 | -25 | 174.1 | -159.3 | -97.8 | 0 | 0 | 0 | 111.8 | W1527 N1528 I1534 | W1527-F1530 PolarHBondContact O-N 3.41Å; N1528-F1530 VanDerWaalsContact C-N 3.35Å; N1528-F1530 PolarHBondContact O-N 3.01Å; F1530-I1534 HydrophobicContact CD1-CD1 3.8Å; F1530-I1534 HydrophobicContact CE1-CD1 3.36Å; F1530-I1534 HydrophobicContact CZ-CD1 3.8Å |
| 1531 | H | 31 | Very low | 31.8 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 59% | 0.593 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75 | -39.4 | 178.2 | -132.8 | -34.3 | 0 | 0 | 0 | 112.6 | W1527 N1528 K1529 | W1527-H1531 PolarHBondContact O-N 2.85Å; N1528-H1531 VanDerWaalsContact O-CB 3.31Å; N1528-H1531 WeakPolarHBondContact O-CB 3.24Å; N1528-H1531 PolarHBondContact O-N 3.26Å; N1528-H1531 VanDerWaalsContact O-N 3.1Å; K1529-H1531 PolarHBondContact O-N 2.86Å |
| 1532 | E | 31.2 | Very low | 32.1 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 69% | 0.692 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.1 | -40.2 | -180 | -67.1 | -176.7 | 130 | 0 | 0 | 112.9 | N1528 K1529 I1534 | N1528-E1532 PolarHBondContact O-N 3.01Å; K1529-E1532 PolarHBondContact O-N 3.23Å; E1532-I1534 PolarHBondContact O-N 3.34Å |
| 1533 | Q | 31.6 | Very low | 32.8 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 80% | 0.799 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -13 | -175.5 | -70.6 | -168.2 | -23.7 | 0 | 0 | 114.7 | ||
| 1534 | I | 32.6 | Very low | 33.5 | Very low | 56 Ų | 56 | 109.8 Ų | 109.8 | 29% | 0.287 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.3 | -4.5 | -171.9 | -66.1 | 179.5 | 0 | 0 | 0 | 112.8 | F1530 E1532 G1536 S1537 V1541 | F1530-I1534 HydrophobicContact CD1-CD1 3.8Å; F1530-I1534 HydrophobicContact CE1-CD1 3.36Å; F1530-I1534 HydrophobicContact CZ-CD1 3.8Å; E1532-I1534 PolarHBondContact O-N 3.34Å; I1534-G1536 PolarHBondContact O-N 3.03Å; I1534-S1537 PolarHBondContact O-N 3.38Å; I1534-S1537 VanDerWaalsContact O-N 3.13Å; I1534-S1537 PolarHBondContact O-OG 3.31Å; I1534-V1541 HydrophobicContact CG2-CG2 3.9Å |
| 1535 | V | 31.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 105.6 Ų | 105.6 | 70% | 0.697 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.1 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | S1537 | V1535-S1537 VanDerWaalsContact C-N 3.31Å; V1535-S1537 PolarHBondContact O-N 3.12Å |
| 1536 | G | 30.7 | Very low | 35.1 | Very low | 85 Ų | 85 | 101.7 Ų | 101.7 | 88% | 0.876 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.5 | 177 | 0 | 0 | 0 | 0 | 0 | 116.6 | I1534 | I1534-G1536 PolarHBondContact O-N 3.03Š|
| 1537 | S | 26.8 | Very low | 35.9 | Very low | 75 Ų | 75 | 100.1 Ų | 100.1 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -123.9 | 86.8 | -176.5 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | I1534 V1535 S1539 | I1534-S1537 PolarHBondContact O-N 3.38Å; I1534-S1537 VanDerWaalsContact O-N 3.13Å; I1534-S1537 PolarHBondContact O-OG 3.31Å; V1535-S1537 VanDerWaalsContact C-N 3.31Å; V1535-S1537 PolarHBondContact O-N 3.12Å; S1537-S1539 PolarHBondContact O-N 3.25Å; S1537-S1539 VanDerWaalsContact O-N 3.07Å |
| 1538 | R | 28.4 | Very low | 36.8 | Very low | 235 Ų | 235 | 94.6 Ų | 94.6 | 89% | 0.887 | 50% | 0.501 | S | S | * | . | trans | -64.4 | 101.2 | 171.1 | -69.3 | -179.2 | 173.8 | -172.7 | -3.5 | 110.9 | ||||
| 1539 | S | 34.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 92.2 Ų | 92.2 | 73% | 0.727 | 49% | 0.492 | S | S | * | . | S | Bend | 163.2 | -28.1 | 128 | -165.5 | 0 | 0 | 0 | 0 | 115.4 | S1537 | S1537-S1539 PolarHBondContact O-N 3.25Å; S1537-S1539 VanDerWaalsContact O-N 3.07Å | |
| 1540 | E | 35.3 | Very low | 39 | Very low | 171 Ų | 171 | 86 Ų | 86 | 80% | 0.799 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -94.2 | -8.2 | -158.4 | -62.9 | -169.7 | 149.8 | 0 | 0 | 117 | P1543 | E1540-P1543 WeakPolarHBondContact O-CD 3.35Š|
| 1541 | V | 40.3 | Very low | 40.4 | Very low | 53 Ų | 53 | 84 Ų | 84 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -85.7 | -26.4 | -163.6 | -173.4 | 0 | 0 | 0 | 0 | 114.7 | I1534 P1543 V1544 | I1534-V1541 HydrophobicContact CG2-CG2 3.9Å; V1541-P1543 VanDerWaalsContact C-CD 3.46Å; V1541-V1544 WeakPolarHBondContact O-CB 3.25Å; V1541-V1544 PolarHBondContact O-N 2.86Å |
| 1542 | L | 36.5 | Very low | 41.7 | Very low | 63 Ų | 63 | 82.1 Ų | 82.1 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -52 | -44 | -176 | -98.9 | 64.4 | 0 | 0 | 0 | 117.1 | M1360 V1544 H1545 A1546 | M1360-L1542 HydrophobicContact CE-CB 4.24Å; M1360-L1542 HydrophobicContact CE-CG 4.32Å; M1360-L1542 VanDerWaalsContact CE-O 3.29Å; M1360-L1542 WeakPolarHBondContact CE-O 3.22Å; M1360-L1542 HydrophobicContact SD-CB 4.27Å; M1360-L1542 HydrophobicContact SD-CD2 3.72Å; M1360-L1542 HydrophobicContact SD-CG 3.96Å; L1542-V1544 PolarHBondContact O-N 3.39Å; L1542-H1545 PolarHBondContact O-N 2.78Å; L1542-H1545 VanDerWaalsContact O-N 3.08Å; L1542-A1546 PolarHBondContact O-N 3.42Å |
| 1543 | P | 40.7 | Very low | 42.9 | Very low | 28 Ų | 28 | 79.2 Ų | 79.2 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61 | -31.1 | -178.1 | 26.9 | -39.8 | 0 | 0 | 0 | 112.8 | W1359 E1540 V1541 H1545 A1546 A1547 | W1359-P1543 HydrophobicContact CD2-CB 4.27Å; W1359-P1543 HydrophobicContact CE3-CB 4.03Å; W1359-P1543 HydrophobicContact CH2-CB 3.58Å; W1359-P1543 HydrophobicContact CH2-CG 3.45Å; W1359-P1543 VanDerWaalsContact CH2-CG 3.45Å; W1359-P1543 HydrophobicContact CZ2-CB 3.79Å; W1359-P1543 HydrophobicContact CZ2-CG 3.46Å; W1359-P1543 VanDerWaalsContact CZ2-CG 3.46Å; W1359-P1543 HydrophobicContact CZ3-CB 3.67Å; W1359-P1543 HydrophobicContact CZ3-CG 4.1Å; E1540-P1543 WeakPolarHBondContact O-CD 3.35Å; V1541-P1543 VanDerWaalsContact C-CD 3.46Å; P1543-H1545 VanDerWaalsContact C-N 3.26Å; P1543-H1545 PolarHBondContact O-N 2.71Å; P1543-A1546 PolarHBondContact O-N 3.26Å; P1543-A1547 WeakPolarHBondContact O-CB 3.48Å; P1543-A1547 PolarHBondContact O-N 3.35Å |
| 1544 | V | 45.9 | Very low | 44.1 | Very low | 57 Ų | 57 | 72 Ų | 72 | 35% | 0.345 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | V1541 L1542 N1548 | V1541-V1544 WeakPolarHBondContact O-CB 3.25Å; V1541-V1544 PolarHBondContact O-N 2.86Å; L1542-V1544 PolarHBondContact O-N 3.39Å; V1544-N1548 WeakPolarHBondContact O-CB 3.13Å; V1544-N1548 PolarHBondContact O-N 3.06Å; V1544-N1548 PolarHBondContact O-OD1 3.26Å |
| 1545 | H | 45.2 | Very low | 45.2 | Very low | 80 Ų | 80 | 72.4 Ų | 72.4 | 37% | 0.37 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73.4 | -34.4 | 176.9 | -65.9 | 2.5 | 0 | 0 | 0 | 112.7 | L1542 P1543 A1549 | L1542-H1545 PolarHBondContact O-N 2.78Å; L1542-H1545 VanDerWaalsContact O-N 3.08Å; P1543-H1545 VanDerWaalsContact C-N 3.26Å; P1543-H1545 PolarHBondContact O-N 2.71Å; H1545-A1549 VanDerWaalsContact O-CB 3.25Å; H1545-A1549 WeakPolarHBondContact O-CB 3.42Å; H1545-A1549 PolarHBondContact O-N 3.25Å |
| 1546 | A | 46.5 | Very low | 46.5 | Very low | 6 Ų | 6 | 70.9 Ų | 70.9 | 5% | 0.05 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1360 L1542 P1543 N1548 A1549 L1550 | M1360-A1546 HydrophobicContact CE-CB 3.85Å; L1542-A1546 PolarHBondContact O-N 3.42Å; P1543-A1546 PolarHBondContact O-N 3.26Å; A1546-N1548 PolarHBondContact O-N 3.1Å; A1546-A1549 PolarHBondContact O-N 3.11Å; A1546-L1550 PolarHBondContact O-N 3.14Å |
| 1547 | A | 52 | Low | 48.1 | Very low | 31 Ų | 31 | 69.7 Ų | 69.7 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1543 A1549 L1550 I1551 | P1543-A1547 WeakPolarHBondContact O-CB 3.48Å; P1543-A1547 PolarHBondContact O-N 3.35Å; A1547-A1549 PolarHBondContact O-N 2.95Å; A1547-L1550 PolarHBondContact O-N 3.46Å; A1547-I1551 WeakPolarHBondContact O-CB 3.34Å; A1547-I1551 WeakPolarHBondContact O-CD1 3.39Å; A1547-I1551 WeakPolarHBondContact O-CG1 3.36Å; A1547-I1551 PolarHBondContact O-N 3.1Å |
| 1548 | N | 52.8 | Low | 50 | Low | 53 Ų | 53 | 71.1 Ų | 71.1 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 176.7 | -72.5 | -2.3 | 0 | 0 | 0 | 112.5 | V1544 A1546 I1551 T1552 | V1544-N1548 WeakPolarHBondContact O-CB 3.13Å; V1544-N1548 PolarHBondContact O-N 3.06Å; V1544-N1548 PolarHBondContact O-OD1 3.26Å; A1546-N1548 PolarHBondContact O-N 3.1Å; N1548-I1551 PolarHBondContact O-N 3.11Å; N1548-T1552 VanDerWaalsContact O-CB 3.3Å; N1548-T1552 WeakPolarHBondContact O-CB 3.29Å; N1548-T1552 PolarHBondContact O-N 3.41Å; N1548-T1552 PolarHBondContact O-OG1 2.99Å |
| 1549 | A | 53.8 | Low | 52 | Low | 26 Ų | 26 | 62 Ų | 62 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1369 H1545 A1546 A1547 L1553 | P1369-A1549 HydrophobicContact CB-CB 4.08Å; H1545-A1549 VanDerWaalsContact O-CB 3.25Å; H1545-A1549 WeakPolarHBondContact O-CB 3.42Å; H1545-A1549 PolarHBondContact O-N 3.25Å; A1546-A1549 PolarHBondContact O-N 3.11Å; A1547-A1549 PolarHBondContact O-N 2.95Å; A1549-L1553 PolarHBondContact O-N 2.98Å |
| 1550 | L | 59.3 | Low | 54 | Low | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -51.8 | 171.6 | -174 | 76.4 | 0 | 0 | 0 | 111 | P1210 A1373 Q1376 A1546 A1547 T1552 L1553 L1554 | P1210-L1550 HydrophobicContact CB-CD2 4.16Å; P1210-L1550 HydrophobicContact CG-CD2 3.39Å; A1373-L1550 HydrophobicContact CB-CB 4.33Å; A1373-L1550 HydrophobicContact CB-CD1 4.11Å; Q1376-L1550 HydrophobicContact CB-CD1 4.23Å; A1546-L1550 PolarHBondContact O-N 3.14Å; A1547-L1550 PolarHBondContact O-N 3.46Å; L1550-T1552 VanDerWaalsContact C-N 3.26Å; L1550-T1552 PolarHBondContact O-N 2.72Å; L1550-L1553 CarbonylContact O-C 3.59Å; L1550-L1553 VanDerWaalsContact O-CA 3.3Å; L1550-L1553 WeakPolarHBondContact O-CA 3.45Å; L1550-L1553 WeakPolarHBondContact O-CB 3.49Å; L1550-L1553 PolarHBondContact O-N 2.79Å; L1550-L1554 HydrophobicContact CD1-CD2 4.07Å; L1550-L1554 HydrophobicContact CG-CD2 3.98Å; L1550-L1554 HydrophobicContact CG-CG 4.25Å; L1550-L1554 WeakPolarHBondContact O-CD2 3.42Å; L1550-L1554 WeakPolarHBondContact O-CG 3.37Å; L1550-L1554 PolarHBondContact O-N 2.79Å |
| 1551 | I | 61.9 | Low | 56 | Low | 73 Ų | 73 | 52.9 Ų | 52.9 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.4 | -43 | 179.2 | -71.7 | 163.1 | 0 | 0 | 0 | 110.6 | A1547 N1548 L1553 L1554 T1555 | A1547-I1551 WeakPolarHBondContact O-CB 3.34Å; A1547-I1551 WeakPolarHBondContact O-CD1 3.39Å; A1547-I1551 WeakPolarHBondContact O-CG1 3.36Å; A1547-I1551 PolarHBondContact O-N 3.1Å; N1548-I1551 PolarHBondContact O-N 3.11Å; I1551-L1553 VanDerWaalsContact C-N 3.34Å; I1551-L1553 PolarHBondContact O-N 3.5Å; I1551-L1554 WeakPolarHBondContact O-CB 3.23Å; I1551-L1554 PolarHBondContact O-N 3.1Å; I1551-L1554 VanDerWaalsContact O-N 3.07Å; I1551-T1555 HydrophobicContact CG2-CG2 4.34Å; I1551-T1555 WeakPolarHBondContact O-CG2 3.39Å; I1551-T1555 PolarHBondContact O-N 2.67Å; I1551-T1555 PolarHBondContact O-OG1 2.58Å; I1551-T1555 VanDerWaalsContact O-OG1 3.08Å |
| 1552 | T | 59.4 | Low | 58.1 | Low | 87 Ų | 87 | 51.4 Ų | 51.4 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 174.5 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | N1548 L1550 L1554 T1555 S1556 | N1548-T1552 VanDerWaalsContact O-CB 3.3Å; N1548-T1552 WeakPolarHBondContact O-CB 3.29Å; N1548-T1552 PolarHBondContact O-N 3.41Å; N1548-T1552 PolarHBondContact O-OG1 2.99Å; L1550-T1552 VanDerWaalsContact C-N 3.26Å; L1550-T1552 PolarHBondContact O-N 2.72Å; T1552-L1554 VanDerWaalsContact C-N 3.33Å; T1552-T1555 PolarHBondContact O-OG1 2.84Å; T1552-S1556 WeakPolarHBondContact O-CB 3.39Å; T1552-S1556 PolarHBondContact O-N 2.93Å; T1552-S1556 PolarHBondContact O-OG 2.82Å; T1552-S1556 VanDerWaalsContact O-OG 3.06Å |
| 1553 | L | 55.6 | Low | 60.4 | Low | 88 Ų | 88 | 49 Ų | 49 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 170.6 | -100.1 | 162.8 | 0 | 0 | 0 | 112.3 | A1373 A1549 L1550 I1551 S1556 | A1373-L1553 HydrophobicContact CB-CD1 3.71Å; A1549-L1553 PolarHBondContact O-N 2.98Å; L1550-L1553 CarbonylContact O-C 3.59Å; L1550-L1553 VanDerWaalsContact O-CA 3.3Å; L1550-L1553 WeakPolarHBondContact O-CA 3.45Å; L1550-L1553 WeakPolarHBondContact O-CB 3.49Å; L1550-L1553 PolarHBondContact O-N 2.79Å; I1551-L1553 VanDerWaalsContact C-N 3.34Å; I1551-L1553 PolarHBondContact O-N 3.5Å; L1553-S1556 PolarHBondContact O-OG 3.34Å |
| 1554 | L | 57.1 | Low | 62.7 | Low | 18 Ų | 18 | 47.7 Ų | 47.7 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.2 | -45.6 | 179.2 | -50.9 | -157.9 | 0 | 0 | 0 | 111.5 | L1506 L1550 I1551 T1552 L1562 | L1506-L1554 HydrophobicContact CD2-CD1 3.79Å; L1506-L1554 HydrophobicContact CD2-CD2 3.54Å; L1506-L1554 HydrophobicContact CD2-CG 4.11Å; L1506-L1554 HydrophobicContact CG-CD1 4.07Å; L1550-L1554 HydrophobicContact CD1-CD2 4.07Å; L1550-L1554 HydrophobicContact CG-CD2 3.98Å; L1550-L1554 HydrophobicContact CG-CG 4.25Å; L1550-L1554 WeakPolarHBondContact O-CD2 3.42Å; L1550-L1554 WeakPolarHBondContact O-CG 3.37Å; L1550-L1554 PolarHBondContact O-N 2.79Å; I1551-L1554 WeakPolarHBondContact O-CB 3.23Å; I1551-L1554 PolarHBondContact O-N 3.1Å; I1551-L1554 VanDerWaalsContact O-N 3.07Å; T1552-L1554 VanDerWaalsContact C-N 3.33Å; L1554-L1562 HydrophobicContact CD2-CD2 3.9Å |
| 1555 | T | 56 | Low | 64.7 | Low | 65 Ų | 65 | 45.1 Ų | 45.1 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -77.9 | -30.4 | -177 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | I1551 T1552 N1557 | I1551-T1555 HydrophobicContact CG2-CG2 4.34Å; I1551-T1555 WeakPolarHBondContact O-CG2 3.39Å; I1551-T1555 PolarHBondContact O-N 2.67Å; I1551-T1555 PolarHBondContact O-OG1 2.58Å; I1551-T1555 VanDerWaalsContact O-OG1 3.08Å; T1552-T1555 PolarHBondContact O-OG1 2.84Å; T1555-N1557 PolarHBondContact O-N 2.95Å; T1555-N1557 VanDerWaalsContact O-N 3.09Å |
| 1556 | S | 58.5 | Low | 66.8 | Low | 83 Ų | 83 | 41.4 Ų | 41.4 | 58% | 0.58 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.6 | -175.1 | 63.6 | 0 | 0 | 0 | 0 | 115.9 | T1552 L1553 | T1552-S1556 WeakPolarHBondContact O-CB 3.39Å; T1552-S1556 PolarHBondContact O-N 2.93Å; T1552-S1556 PolarHBondContact O-OG 2.82Å; T1552-S1556 VanDerWaalsContact O-OG 3.06Å; L1553-S1556 PolarHBondContact O-OG 3.34Å |
| 1557 | N | 64.1 | Low | 69 | Low | 61 Ų | 61 | 41.1 Ų | 41.1 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | trans | -149.6 | 102.3 | 174.1 | -173.9 | -1.1 | 0 | 0 | 0 | 112.2 | T1555 N1559 S1560 | T1555-N1557 PolarHBondContact O-N 2.95Å; T1555-N1557 VanDerWaalsContact O-N 3.09Å; N1557-N1559 PolarHBondContact O-N 3.16Å; N1557-N1559 PolarHBondContact OD1-N 3.06Å; N1557-S1560 WeakPolarHBondContact O-CB 3.18Å; N1557-S1560 PolarHBondContact O-N 3.08Å | ||
| 1558 | M | 66 | Low | 70.9 | Confident | 104 Ų | 104 | 40 Ų | 40 | 51% | 0.512 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -25.5 | 174.2 | -73.6 | -74.4 | -86.2 | 0 | 0 | 114.6 | N1509 R1563 | N1509-M1558 HydrophobicContact CB-SD 4.27Å; N1509-M1558 PolarHBondContact OD1-SD 2.95Å; N1509-M1558 VanDerWaalsContact OD1-SD 3.4Å; M1558-R1563 VanDerWaalsContact O-CD 3.3Å; M1558-R1563 WeakPolarHBondContact O-CD 3.28Å; M1558-R1563 PolarHBondContact O-NH1 3.26Å |
| 1559 | N | 71.1 | Confident | 72.8 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 21.3 | -177.7 | -53.1 | -20.7 | 0 | 0 | 0 | 113 | N1557 R1564 D1612 L1616 | N1557-N1559 PolarHBondContact O-N 3.16Å; N1557-N1559 PolarHBondContact OD1-N 3.06Å; N1559-R1564 PolarHBondContact O-NE 3.37Å; N1559-R1564 PolarHBondContact O-NH2 3.12Å; N1559-D1612 HydrophobicContact CB-CB 3.8Å; N1559-L1616 WeakPolarHBondContact OD1-CD2 3.3Å |
| 1560 | S | 75.3 | Confident | 74.5 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | trans | -56.7 | 152.1 | -177.2 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | N1557 L1562 R1563 R1564 | N1557-S1560 WeakPolarHBondContact O-CB 3.18Å; N1557-S1560 PolarHBondContact O-N 3.08Å; S1560-L1562 VanDerWaalsContact C-N 3.26Å; S1560-L1562 PolarHBondContact O-N 2.8Å; S1560-R1563 PolarHBondContact O-N 3.01Å; S1560-R1563 WeakPolarHBondContact OG-CB 3.2Å; S1560-R1563 PolarHBondContact OG-N 3.18Å; S1560-R1564 PolarHBondContact O-N 2.97Å; S1560-R1564 VanDerWaalsContact O-N 3.11Å; S1560-R1564 PolarHBondContact O-NE 3.12Å | ||
| 1561 | T | 78.9 | Confident | 76 | Confident | 64 Ų | 64 | 36.4 Ų | 36.4 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.7 | -33 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | Q1172 R1564 A1565 | Q1172-T1561 VanDerWaalsContact O-CG2 3.3Å; Q1172-T1561 WeakPolarHBondContact O-CG2 3.18Å; T1561-R1564 WeakPolarHBondContact O-CB 3.14Å; T1561-R1564 PolarHBondContact O-N 3.33Å; T1561-A1565 WeakPolarHBondContact O-CB 3.5Å; T1561-A1565 PolarHBondContact O-N 2.8Å |
| 1562 | L | 83.4 | Confident | 77.2 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 12% | 0.12 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 174.8 | -175.1 | 62.4 | 0 | 0 | 0 | 112.2 | A1377 I1381 L1506 L1554 S1560 A1565 A1566 | A1377-L1562 HydrophobicContact CB-CD1 4.1Å; A1377-L1562 HydrophobicContact CB-CD2 3.74Å; A1377-L1562 WeakPolarHBondContact O-CD1 3.27Å; I1381-L1562 HydrophobicContact CD1-CD1 3.89Å; I1381-L1562 HydrophobicContact CG1-CD1 3.97Å; L1506-L1562 HydrophobicContact CD1-CD1 4.27Å; L1506-L1562 HydrophobicContact CD1-CD2 4.36Å; L1506-L1562 HydrophobicContact CD1-CG 3.94Å; L1506-L1562 HydrophobicContact CD2-CB 4.48Å; L1506-L1562 HydrophobicContact CD2-CD2 3.82Å; L1506-L1562 HydrophobicContact CD2-CG 3.73Å; L1554-L1562 HydrophobicContact CD2-CD2 3.9Å; S1560-L1562 VanDerWaalsContact C-N 3.26Å; S1560-L1562 PolarHBondContact O-N 2.8Å; L1562-A1565 WeakPolarHBondContact O-CB 3.41Å; L1562-A1565 PolarHBondContact O-N 3.07Å; L1562-A1565 VanDerWaalsContact O-N 3.16Å; L1562-A1566 PolarHBondContact O-N 3.26Å |
| 1563 | R | 85.8 | Confident | 78.5 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -42 | 173.9 | -172.2 | 172.8 | -169.4 | -152.8 | 5.5 | 111.9 | L1506 L1507 M1558 S1560 A1565 A1566 I1567 | L1506-R1563 WeakPolarHBondContact O-CD 3.32Å; L1506-R1563 WeakPolarHBondContact O-CG 3.3Å; L1506-R1563 PolarHBondContact O-NE 3.21Å; L1507-R1563 PolarHBondContact O-NE 3.2Å; L1507-R1563 PolarHBondContact O-NH2 3.18Å; M1558-R1563 VanDerWaalsContact O-CD 3.3Å; M1558-R1563 WeakPolarHBondContact O-CD 3.28Å; M1558-R1563 PolarHBondContact O-NH1 3.26Å; S1560-R1563 PolarHBondContact O-N 3.01Å; S1560-R1563 WeakPolarHBondContact OG-CB 3.2Å; S1560-R1563 PolarHBondContact OG-N 3.18Å; R1563-A1565 VanDerWaalsContact C-N 3.25Å; R1563-A1565 PolarHBondContact O-N 3.11Å; R1563-A1566 PolarHBondContact O-N 2.99Å; R1563-I1567 HydrophobicContact CG-CD1 4.17Å; R1563-I1567 WeakPolarHBondContact O-CD1 3.37Å; R1563-I1567 VanDerWaalsContact O-CG1 3.32Å; R1563-I1567 WeakPolarHBondContact O-CG1 3.4Å; R1563-I1567 PolarHBondContact O-N 3.1Å |
| 1564 | R | 87.2 | Confident | 80 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -38.3 | 168.9 | -83.2 | 174.4 | -83.5 | 178.3 | -8.6 | 111.9 | Q1172 N1559 S1560 T1561 I1567 D1568 D1612 D1615 L1616 T1619 | Q1172-R1564 HydrophobicContact CB-CB 4.21Å; Q1172-R1564 HydrophobicContact CG-CB 3.88Å; Q1172-R1564 PolarHBondContact NE2-O 2.92Å; N1559-R1564 PolarHBondContact O-NE 3.37Å; N1559-R1564 PolarHBondContact O-NH2 3.12Å; S1560-R1564 PolarHBondContact O-N 2.97Å; S1560-R1564 VanDerWaalsContact O-N 3.11Å; S1560-R1564 PolarHBondContact O-NE 3.12Å; T1561-R1564 WeakPolarHBondContact O-CB 3.14Å; T1561-R1564 PolarHBondContact O-N 3.33Å; R1564-I1567 PolarHBondContact O-N 2.83Å; R1564-D1568 PolarHBondContact O-N 3.21Å; R1564-D1568 VanDerWaalsContact O-N 3.13Å; R1564-D1612 IonicContact CZ-OD1 2.74Å; R1564-D1612 IonicContact NH1-OD1 3.71Å; R1564-D1612 PolarHBondContact NH1-OD1 3.44Å; R1564-D1612 IonicContact NH2-OD1 3.57Å; R1564-D1612 PolarHBondContact NH2-OD1 3.05Å; R1564-D1612 IonicContact NH2-OD2 3.59Å; R1564-D1615 WeakPolarHBondContact CD-OD2 3.16Å; R1564-D1615 IonicContact CZ-OD2 3.79Å; R1564-D1615 IonicContact NE-OD2 2.63Å; R1564-D1615 IonicContact NH1-OD2 3.83Å; R1564-D1615 PolarHBondContact NH1-OD2 2.62Å; R1564-L1616 HydrophobicContact CG-CB 4.33Å; R1564-L1616 HydrophobicContact CG-CD1 3.77Å; R1564-T1619 HydrophobicContact CB-CG2 4.49Å; R1564-T1619 WeakPolarHBondContact O-CG2 3.43Å |
| 1565 | A | 89.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.4 | -43.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1172 I1381 T1561 L1562 R1563 I1567 D1568 L1569 | Q1172-A1565 HydrophobicContact CG-CB 3.83Å; I1381-A1565 HydrophobicContact CD1-CB 3.94Å; I1381-A1565 HydrophobicContact CG1-CB 3.97Å; T1561-A1565 WeakPolarHBondContact O-CB 3.5Å; T1561-A1565 PolarHBondContact O-N 2.8Å; L1562-A1565 WeakPolarHBondContact O-CB 3.41Å; L1562-A1565 PolarHBondContact O-N 3.07Å; L1562-A1565 VanDerWaalsContact O-N 3.16Å; R1563-A1565 VanDerWaalsContact C-N 3.25Å; R1563-A1565 PolarHBondContact O-N 3.11Å; A1565-I1567 PolarHBondContact O-N 3.21Å; A1565-D1568 PolarHBondContact O-N 3.13Å; A1565-L1569 WeakPolarHBondContact O-CB 3.34Å; A1565-L1569 WeakPolarHBondContact O-CG 3.39Å; A1565-L1569 PolarHBondContact O-N 2.86Å |
| 1566 | A | 89.7 | Confident | 82.6 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1503 L1506 L1562 R1563 L1569 L1570 | L1503-A1566 HydrophobicContact CB-CB 4.41Å; L1503-A1566 HydrophobicContact CD2-CB 3.9Å; L1506-A1566 HydrophobicContact CB-CB 3.53Å; L1506-A1566 HydrophobicContact CD1-CB 3.79Å; L1506-A1566 HydrophobicContact CG-CB 4.27Å; L1562-A1566 PolarHBondContact O-N 3.26Å; R1563-A1566 PolarHBondContact O-N 2.99Å; A1566-L1569 PolarHBondContact O-N 3.15Å; A1566-L1570 VanDerWaalsContact O-CB 3.29Å; A1566-L1570 WeakPolarHBondContact O-CB 3.44Å; A1566-L1570 WeakPolarHBondContact O-CG 3.39Å; A1566-L1570 PolarHBondContact O-N 3.05Å |
| 1567 | I | 91.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 177.6 | -70.4 | 161.9 | 0 | 0 | 0 | 111.5 | L1507 R1563 R1564 A1565 L1570 G1571 L1590 L1593 L1616 T1619 A1620 A1623 | L1507-I1567 HydrophobicContact CD1-CD1 4.38Å; L1507-I1567 HydrophobicContact CD1-CG1 3.75Å; R1563-I1567 HydrophobicContact CG-CD1 4.17Å; R1563-I1567 WeakPolarHBondContact O-CD1 3.37Å; R1563-I1567 VanDerWaalsContact O-CG1 3.32Å; R1563-I1567 WeakPolarHBondContact O-CG1 3.4Å; R1563-I1567 PolarHBondContact O-N 3.1Å; R1564-I1567 PolarHBondContact O-N 2.83Å; A1565-I1567 PolarHBondContact O-N 3.21Å; I1567-L1570 PolarHBondContact O-N 3.35Å; I1567-G1571 PolarHBondContact O-N 3.07Å; I1567-L1590 HydrophobicContact CG2-CD2 3.84Å; I1567-L1593 HydrophobicContact CD1-CD1 4Å; I1567-L1616 HydrophobicContact CD1-CD1 3.48Å; I1567-L1616 VanDerWaalsContact CD1-CD1 3.48Å; I1567-T1619 HydrophobicContact CB-CG2 4.22Å; I1567-T1619 HydrophobicContact CG2-CG2 3.9Å; I1567-A1620 HydrophobicContact CG2-CB 4.37Å; I1567-A1623 HydrophobicContact CG2-CB 3.67Å; I1567-A1623 WeakPolarHBondContact O-CB 3.42Å |
| 1568 | D | 92.1 | Very high | 84.8 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.043 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.5 | 165.9 | 77.8 | 0 | 0 | 0 | 112.6 | W1171 Q1172 R1183 R1564 A1565 G1571 R1572 T1619 | W1171-D1568 PolarHBondContact NE1-OD2 2.73Å; Q1172-D1568 VanDerWaalsContact NE2-CB 3.31Å; R1183-D1568 IonicContact CZ-OD1 2.83Å; R1183-D1568 IonicContact CZ-OD2 3.18Å; R1183-D1568 VanDerWaalsContact CZ-OD2 3.24Å; R1183-D1568 VanDerWaalsContact NH1-CG 3.32Å; R1183-D1568 IonicContact NH1-OD1 2.73Å; R1183-D1568 PolarHBondContact NH1-OD1 3Å; R1183-D1568 IonicContact NH1-OD2 3.03Å; R1183-D1568 PolarHBondContact NH1-OD2 2.83Å; R1183-D1568 VanDerWaalsContact NH1-OD2 3.08Å; R1183-D1568 VanDerWaalsContact NH2-CG 3.29Å; R1183-D1568 IonicContact NH2-OD1 2.71Å; R1183-D1568 IonicContact NH2-OD2 2.69Å; R1183-D1568 PolarHBondContact NH2-OD2 2.91Å; R1564-D1568 PolarHBondContact O-N 3.21Å; R1564-D1568 VanDerWaalsContact O-N 3.13Å; A1565-D1568 PolarHBondContact O-N 3.13Å; D1568-G1571 PolarHBondContact O-N 3.43Å; D1568-R1572 WeakPolarHBondContact O-CB 3.39Å; D1568-R1572 VanDerWaalsContact O-CG 3.3Å; D1568-R1572 WeakPolarHBondContact O-CG 3.41Å; D1568-R1572 PolarHBondContact O-N 3.19Å; D1568-R1572 IonicContact OD1-CZ 2.71Å; D1568-R1572 IonicContact OD1-NE 2.96Å; D1568-R1572 PolarHBondContact OD1-NE 2.82Å; D1568-R1572 IonicContact OD1-NH2 3.94Å; D1568-R1572 IonicContact OD2-NE 2.85Å; D1568-T1619 HydrophobicContact CB-CG2 3.8Å |
| 1569 | L | 92.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -74.1 | -33.1 | 177.1 | -65 | 169.4 | 0 | 0 | 0 | 112.8 | W1171 I1381 V1385 V1388 L1503 A1565 A1566 G1573 W1577 | W1171-L1569 HydrophobicContact CZ2-CD2 3.84Å; I1381-L1569 HydrophobicContact CG2-CD1 4.43Å; V1385-L1569 HydrophobicContact CB-CD2 4.5Å; V1385-L1569 HydrophobicContact CG2-CD1 4.45Å; V1385-L1569 HydrophobicContact CG2-CD2 3.65Å; V1388-L1569 HydrophobicContact CG2-CB 4.45Å; V1388-L1569 HydrophobicContact CG2-CD2 4Å; L1503-L1569 HydrophobicContact CD2-CB 4.19Å; L1503-L1569 HydrophobicContact CD2-CD1 4.37Å; A1565-L1569 WeakPolarHBondContact O-CB 3.34Å; A1565-L1569 WeakPolarHBondContact O-CG 3.39Å; A1565-L1569 PolarHBondContact O-N 2.86Å; A1566-L1569 PolarHBondContact O-N 3.15Å; L1569-G1573 PolarHBondContact O-N 2.93Å; L1569-W1577 PolarHBondContact O-NE1 3.45Å |
| 1570 | L | 90.6 | Very high | 86.1 | Confident | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 169.6 | -76.6 | 170 | 0 | 0 | 0 | 111.7 | Y1500 L1503 L1507 A1566 I1567 F1574 W1577 | Y1500-L1570 HydrophobicContact CD2-CD2 3.76Å; Y1500-L1570 HydrophobicContact CE2-CD2 3.97Å; L1503-L1570 HydrophobicContact CB-CD1 4.16Å; L1503-L1570 HydrophobicContact CB-CD2 3.81Å; L1503-L1570 HydrophobicContact CB-CG 3.84Å; L1503-L1570 HydrophobicContact CD1-CD2 4.25Å; L1503-L1570 HydrophobicContact CD1-CG 4.5Å; L1507-L1570 HydrophobicContact CB-CD1 4.07Å; L1507-L1570 HydrophobicContact CD2-CD1 4.01Å; A1566-L1570 VanDerWaalsContact O-CB 3.29Å; A1566-L1570 WeakPolarHBondContact O-CB 3.44Å; A1566-L1570 WeakPolarHBondContact O-CG 3.39Å; A1566-L1570 PolarHBondContact O-N 3.05Å; I1567-L1570 PolarHBondContact O-N 3.35Å; L1570-F1574 WeakPolarHBondContact O-CA 3.18Å; L1570-F1574 PolarHBondContact O-N 3.24Å; L1570-W1577 HydrophobicContact CD2-CG 4.36Å |
| 1571 | G | 89.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66 | -52.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1567 D1568 A1626 | I1567-G1571 PolarHBondContact O-N 3.07Å; D1568-G1571 PolarHBondContact O-N 3.43Å; G1571-A1626 WeakPolarHBondContact O-CB 3.47Å |
| 1572 | R | 87.6 | Confident | 86.7 | Confident | 71 Ų | 71 | 18.7 Ų | 18.7 | 27% | 0.268 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -65.7 | -41.8 | -179.9 | -70.3 | 174.7 | 179.3 | -92.7 | -6.3 | 112.6 | V1388 C1433 D1568 | V1388-R1572 HydrophobicContact CG1-CB 3.78Å; V1388-R1572 HydrophobicContact CG2-CB 4.37Å; C1433-R1572 PolarHBondContact O-NH1 3.19Å; D1568-R1572 WeakPolarHBondContact O-CB 3.39Å; D1568-R1572 VanDerWaalsContact O-CG 3.3Å; D1568-R1572 WeakPolarHBondContact O-CG 3.41Å; D1568-R1572 PolarHBondContact O-N 3.19Å; D1568-R1572 IonicContact OD1-CZ 2.71Å; D1568-R1572 IonicContact OD1-NE 2.96Å; D1568-R1572 PolarHBondContact OD1-NE 2.82Å; D1568-R1572 IonicContact OD1-NH2 3.94Å; D1568-R1572 IonicContact OD2-NE 2.85Å |
| 1573 | G | 86.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 9.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1569 P1575 V1576 W1577 | L1569-G1573 PolarHBondContact O-N 2.93Å; G1573-P1575 VanDerWaalsContact C-N 3.32Å; G1573-P1575 VanDerWaalsContact O-N 3.1Å; G1573-V1576 WeakPolarHBondContact O-CB 3.37Å; G1573-V1576 PolarHBondContact O-N 2.85Å; G1573-W1577 PolarHBondContact O-N 3.49Å |
| 1574 | F | 88.5 | Confident | 86.6 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -48.6 | -41.4 | -171.1 | -173.3 | -92.4 | 0 | 0 | 0 | 114.9 | L1570 V1576 W1577 E1578 V1581 V1583 I1627 R1631 L1634 | L1570-F1574 WeakPolarHBondContact O-CA 3.18Å; L1570-F1574 PolarHBondContact O-N 3.24Å; F1574-V1576 PolarHBondContact O-N 2.98Å; F1574-W1577 PolarHBondContact O-N 3.42Å; F1574-E1578 HydrophobicContact CD1-CB 4.49Å; F1574-E1578 HydrophobicContact CE1-CB 4.16Å; F1574-E1578 HydrophobicContact CE1-CG 4.32Å; F1574-E1578 VanDerWaalsContact O-CB 3.28Å; F1574-E1578 WeakPolarHBondContact O-CB 3.45Å; F1574-E1578 PolarHBondContact O-N 3.03Å; F1574-V1581 HydrophobicContact CE2-CG1 4.03Å; F1574-V1583 HydrophobicContact CZ-CG1 4.33Å; F1574-V1583 HydrophobicContact CZ-CG2 4.18Å; F1574-I1627 HydrophobicContact CB-CG1 3.95Å; F1574-I1627 HydrophobicContact CD1-CG2 4.21Å; F1574-I1627 HydrophobicContact CD2-CB 4.35Å; F1574-I1627 HydrophobicContact CD2-CD1 3.91Å; F1574-I1627 HydrophobicContact CD2-CG1 3.6Å; F1574-I1627 HydrophobicContact CD2-CG2 3.96Å; F1574-I1627 HydrophobicContact CE1-CG2 4.19Å; F1574-I1627 HydrophobicContact CE2-CD1 4.33Å; F1574-I1627 HydrophobicContact CE2-CG1 4.27Å; F1574-I1627 HydrophobicContact CE2-CG2 3.9Å; F1574-I1627 HydrophobicContact CG-CB 4.35Å; F1574-I1627 HydrophobicContact CG-CG1 3.82Å; F1574-I1627 HydrophobicContact CG-CG2 4.1Å; F1574-I1627 HydrophobicContact CZ-CG2 4.02Å; F1574-R1631 HydrophobicContact CD1-CG 4.13Å; F1574-R1631 HydrophobicContact CE1-CB 4.38Å; F1574-R1631 HydrophobicContact CE1-CG 3.91Å; F1574-L1634 HydrophobicContact CE1-CD2 3.71Å; F1574-L1634 HydrophobicContact CZ-CD2 3.73Å |
| 1575 | P | 83.1 | Confident | 86.5 | Confident | 54 Ų | 54 | 23 Ų | 23 | 35% | 0.351 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.1 | -27.7 | 175.8 | -27.5 | 37.4 | 0 | 0 | 0 | 115.4 | G1573 A1630 | G1573-P1575 VanDerWaalsContact C-N 3.32Å; G1573-P1575 VanDerWaalsContact O-N 3.1Å; P1575-A1630 HydrophobicContact CG-CB 4.09Å |
| 1576 | V | 82.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 23 Ų | 23 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -87.4 | -35.6 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | F1488 G1573 F1574 P1579 | F1488-V1576 HydrophobicContact CD2-CG1 4.33Å; G1573-V1576 WeakPolarHBondContact O-CB 3.37Å; G1573-V1576 PolarHBondContact O-N 2.85Å; F1574-V1576 PolarHBondContact O-N 2.98Å; V1576-P1579 WeakPolarHBondContact O-CD 3.41Å |
| 1577 | W | 85.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -80.8 | -26.6 | 178 | -46.9 | 132.4 | 0 | 0 | 0 | 113.2 | V1388 F1488 T1499 Y1500 L1503 L1569 L1570 G1573 F1574 P1579 Y1580 V1581 | V1388-W1577 HydrophobicContact CG2-CZ2 4.38Å; F1488-W1577 AromaticContact CE2-CH2 3.94Å; F1488-W1577 HydrophobicContact CE2-CH2 3.94Å; F1488-W1577 AromaticContact CE2-CZ3 3.93Å; F1488-W1577 HydrophobicContact CE2-CZ3 3.93Å; T1499-W1577 HydrophobicContact CG2-CH2 3.6Å; T1499-W1577 HydrophobicContact CG2-CZ2 4.41Å; T1499-W1577 HydrophobicContact CG2-CZ3 4.01Å; Y1500-W1577 HydrophobicContact CD2-CB 4.18Å; L1503-W1577 HydrophobicContact CD1-CD2 4.46Å; L1503-W1577 HydrophobicContact CD1-CH2 4.27Å; L1503-W1577 HydrophobicContact CD1-CZ2 3.79Å; L1569-W1577 PolarHBondContact O-NE1 3.45Å; L1570-W1577 HydrophobicContact CD2-CG 4.36Å; G1573-W1577 PolarHBondContact O-N 3.49Å; F1574-W1577 PolarHBondContact O-N 3.42Å; W1577-P1579 VanDerWaalsContact C-N 3.32Å; W1577-P1579 WeakPolarHBondContact O-CD 3.29Å; W1577-Y1580 PolarHBondContact O-N 2.71Å; W1577-V1581 HydrophobicContact CB-CG2 3.73Å; W1577-V1581 WeakPolarHBondContact O-CG2 3.47Å; W1577-V1581 PolarHBondContact O-N 2.73Å |
| 1578 | E | 84.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -42.1 | -42 | -175 | 174.6 | 171.7 | -145.5 | 0 | 0 | 115.8 | V1401 R1404 F1574 Y1580 V1581 R1631 L1634 | V1401-E1578 HydrophobicContact CG2-CG 4.32Å; R1404-E1578 IonicContact CZ-OE1 2.68Å; R1404-E1578 IonicContact NH1-OE1 2.74Å; R1404-E1578 PolarHBondContact NH1-OE1 3.24Å; R1404-E1578 IonicContact NH2-OE1 2.67Å; R1404-E1578 PolarHBondContact NH2-OE1 2.78Å; F1574-E1578 HydrophobicContact CD1-CB 4.49Å; F1574-E1578 HydrophobicContact CE1-CB 4.16Å; F1574-E1578 HydrophobicContact CE1-CG 4.32Å; F1574-E1578 VanDerWaalsContact O-CB 3.28Å; F1574-E1578 WeakPolarHBondContact O-CB 3.45Å; F1574-E1578 PolarHBondContact O-N 3.03Å; E1578-Y1580 PolarHBondContact O-N 3.39Å; E1578-Y1580 VanDerWaalsContact O-N 3.09Å; E1578-V1581 PolarHBondContact O-N 3.12Å; E1578-R1631 IonicContact OE1-NE 3.6Å; E1578-R1631 IonicContact OE2-CZ 2.67Å; E1578-R1631 IonicContact OE2-NE 3.77Å; E1578-R1631 PolarHBondContact OE2-NE 2.7Å; E1578-R1631 IonicContact OE2-NH2 3.92Å; E1578-R1631 PolarHBondContact OE2-NH2 3.06Å; E1578-L1634 WeakPolarHBondContact OE1-CD2 3.34Å |
| 1579 | P | 80.9 | Confident | 86 | Confident | 35 Ų | 35 | 25.4 Ų | 25.4 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -60.2 | -18.7 | 177.6 | -24.8 | 35.7 | 0 | 0 | 0 | 115.5 | H1398 V1401 V1576 W1577 | H1398-P1579 HydrophobicContact CB-CB 4.13Å; H1398-P1579 HydrophobicContact CB-CG 3.79Å; V1401-P1579 HydrophobicContact CG2-CG 3.93Å; V1576-P1579 WeakPolarHBondContact O-CD 3.41Å; W1577-P1579 VanDerWaalsContact C-N 3.32Å; W1577-P1579 WeakPolarHBondContact O-CD 3.29Å |
| 1580 | Y | 82.6 | Confident | 86 | Confident | 45 Ų | 45 | 25.5 Ų | 25.5 | 18% | 0.176 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -115.1 | -7.9 | -172.7 | -48.9 | -65.1 | 0 | 0 | 0 | 113.3 | N1493 A1496 R1497 Y1500 W1577 E1578 | N1493-Y1580 WeakPolarHBondContact CB-OH 3.36Å; N1493-Y1580 PolarHBondContact O-OH 3.24Å; N1493-Y1580 PolarHBondContact OD1-OH 3.28Å; A1496-Y1580 HydrophobicContact CB-CE2 3.93Å; R1497-Y1580 HydrophobicContact CB-CD1 3.86Å; R1497-Y1580 HydrophobicContact CB-CD2 4.44Å; R1497-Y1580 HydrophobicContact CB-CE1 3.86Å; R1497-Y1580 HydrophobicContact CB-CE2 4.44Å; R1497-Y1580 HydrophobicContact CB-CG 4.16Å; R1497-Y1580 HydrophobicContact CG-CD1 3.87Å; R1497-Y1580 HydrophobicContact CG-CE1 4.25Å; R1497-Y1580 HydrophobicContact CG-CG 4.29Å; Y1500-Y1580 WeakPolarHBondContact CE1-O 3.4Å; W1577-Y1580 PolarHBondContact O-N 2.71Å; E1578-Y1580 PolarHBondContact O-N 3.39Å; E1578-Y1580 VanDerWaalsContact O-N 3.09Å |
| 1581 | V | 83.5 | Confident | 85.9 | Confident | 18 Ų | 18 | 25.2 Ų | 25.2 | 11% | 0.109 | 14% | 0.139 | C | C | . | . | trans | -90.5 | 127.4 | -167.6 | 169 | 0 | 0 | 0 | 0 | 112.5 | Y1500 F1574 W1577 E1578 V1583 V1586 | Y1500-V1581 HydrophobicContact CD2-CG2 3.73Å; Y1500-V1581 HydrophobicContact CE2-CB 4.25Å; Y1500-V1581 HydrophobicContact CE2-CG2 3.35Å; F1574-V1581 HydrophobicContact CE2-CG1 4.03Å; W1577-V1581 HydrophobicContact CB-CG2 3.73Å; W1577-V1581 WeakPolarHBondContact O-CG2 3.47Å; W1577-V1581 PolarHBondContact O-N 2.73Å; E1578-V1581 PolarHBondContact O-N 3.12Å; V1581-V1583 HydrophobicContact CG1-CG2 4.04Å; V1581-V1583 PolarHBondContact O-N 2.91Å; V1581-V1583 VanDerWaalsContact O-N 3.08Å; V1581-V1586 HydrophobicContact CG1-CB 4.31Å; V1581-V1586 HydrophobicContact CG1-CG2 3.81Å | ||
| 1582 | D | 83.8 | Confident | 85.7 | Confident | 76 Ų | 76 | 29.3 Ų | 29.3 | 41% | 0.406 | 16% | 0.16 | S | C | . | . | trans | -71.9 | 96.4 | 155 | -176.8 | -19.7 | 0 | 0 | 0 | 109 | G1584 H1585 V1586 | D1582-G1584 VanDerWaalsContact C-N 3.32Å; D1582-G1584 PolarHBondContact O-N 3.25Å; D1582-G1584 PolarHBondContact OD1-N 2.96Å; D1582-G1584 VanDerWaalsContact OD1-N 3.11Å; D1582-H1585 HydrophobicContact CB-CB 4Å; D1582-H1585 VanDerWaalsContact CG-CB 3.44Å; D1582-H1585 PolarHBondContact O-N 3.27Å; D1582-H1585 PolarHBondContact OD1-N 3.07Å; D1582-H1585 WeakPolarHBondContact OD2-CB 3.36Å; D1582-V1586 WeakPolarHBondContact O-CG2 3.46Å; D1582-V1586 PolarHBondContact O-N 2.55Å | ||
| 1583 | V | 85 | Confident | 85.7 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | -174.7 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | F1574 V1581 I1587 L1634 A1638 | F1574-V1583 HydrophobicContact CZ-CG1 4.33Å; F1574-V1583 HydrophobicContact CZ-CG2 4.18Å; V1581-V1583 HydrophobicContact CG1-CG2 4.04Å; V1581-V1583 PolarHBondContact O-N 2.91Å; V1581-V1583 VanDerWaalsContact O-N 3.08Å; V1583-I1587 HydrophobicContact CG1-CD1 3.64Å; V1583-I1587 HydrophobicContact CG1-CG1 4.39Å; V1583-I1587 WeakPolarHBondContact O-CB 3.32Å; V1583-I1587 VanDerWaalsContact O-CG1 3.24Å; V1583-I1587 WeakPolarHBondContact O-CG1 3.18Å; V1583-I1587 PolarHBondContact O-N 3.04Å; V1583-L1634 HydrophobicContact CG1-CD1 4.14Å; V1583-L1634 HydrophobicContact CG1-CD2 3.94Å; V1583-L1634 HydrophobicContact CG1-CG 3.92Å; V1583-L1634 HydrophobicContact CG2-CD1 4.44Å; V1583-L1634 HydrophobicContact CG2-CD2 4.06Å; V1583-A1638 HydrophobicContact CG1-CB 4.4Å |
| 1584 | G | 82.6 | Confident | 85.7 | Confident | 31 Ų | 31 | 27.7 Ų | 27.7 | 32% | 0.32 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.3 | -40.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1582 N1588 | D1582-G1584 VanDerWaalsContact C-N 3.32Å; D1582-G1584 PolarHBondContact O-N 3.25Å; D1582-G1584 PolarHBondContact OD1-N 2.96Å; D1582-G1584 VanDerWaalsContact OD1-N 3.11Å; G1584-N1588 WeakPolarHBondContact O-CB 3.26Å; G1584-N1588 PolarHBondContact O-N 2.86Å; G1584-N1588 PolarHBondContact O-ND2 3.4Å; G1584-N1588 VanDerWaalsContact O-ND2 3.13Å |
| 1585 | H | 85.3 | Confident | 85.4 | Confident | 76 Ų | 76 | 28.7 Ų | 28.7 | 35% | 0.352 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69 | -44.7 | 177 | -155 | 133.9 | 0 | 0 | 0 | 111.7 | F1508 D1582 N1588 V1589 | F1508-H1585 AromaticContact CD1-CD2 3.79Å; F1508-H1585 AromaticContact CD1-NE2 3.98Å; F1508-H1585 AromaticContact CE1-CD2 3.32Å; F1508-H1585 WeakPolarHBondContact CE1-CD2 3.18Å; F1508-H1585 AromaticContact CE1-NE2 3.98Å; F1508-H1585 HydrophobicContact CZ-CB 4.31Å; F1508-H1585 AromaticContact CZ-CD2 3.75Å; D1582-H1585 HydrophobicContact CB-CB 4Å; D1582-H1585 VanDerWaalsContact CG-CB 3.44Å; D1582-H1585 PolarHBondContact O-N 3.27Å; D1582-H1585 PolarHBondContact OD1-N 3.07Å; D1582-H1585 WeakPolarHBondContact OD2-CB 3.36Å; H1585-N1588 PolarHBondContact O-N 2.83Å; H1585-V1589 WeakPolarHBondContact O-CG2 3.42Å; H1585-V1589 PolarHBondContact O-N 2.87Å; H1585-V1589 VanDerWaalsContact O-N 3.13Å |
| 1586 | V | 88.3 | Confident | 84.9 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L1507 F1508 V1581 D1582 N1588 V1589 L1590 I1627 | L1507-V1586 HydrophobicContact CD2-CB 4.32Å; L1507-V1586 HydrophobicContact CD2-CG1 4.07Å; L1507-V1586 HydrophobicContact CD2-CG2 3.97Å; F1508-V1586 HydrophobicContact CE1-CG2 4.48Å; F1508-V1586 HydrophobicContact CZ-CG2 3.77Å; V1581-V1586 HydrophobicContact CG1-CB 4.31Å; V1581-V1586 HydrophobicContact CG1-CG2 3.81Å; D1582-V1586 WeakPolarHBondContact O-CG2 3.46Å; D1582-V1586 PolarHBondContact O-N 2.55Å; V1586-N1588 PolarHBondContact O-N 2.81Å; V1586-V1589 PolarHBondContact O-N 2.94Å; V1586-L1590 HydrophobicContact CG1-CD1 3.81Å; V1586-L1590 HydrophobicContact CG1-CG 4.31Å; V1586-L1590 WeakPolarHBondContact O-CG 3.26Å; V1586-L1590 PolarHBondContact O-N 2.83Å; V1586-I1627 HydrophobicContact CG1-CD1 4.19Å |
| 1587 | I | 89.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 179.9 | -71.9 | 171.2 | 0 | 0 | 0 | 111.2 | V1583 V1589 L1590 L1591 L1624 I1635 A1638 L1639 | V1583-I1587 HydrophobicContact CG1-CD1 3.64Å; V1583-I1587 HydrophobicContact CG1-CG1 4.39Å; V1583-I1587 WeakPolarHBondContact O-CB 3.32Å; V1583-I1587 VanDerWaalsContact O-CG1 3.24Å; V1583-I1587 WeakPolarHBondContact O-CG1 3.18Å; V1583-I1587 PolarHBondContact O-N 3.04Å; I1587-V1589 VanDerWaalsContact C-N 3.33Å; I1587-V1589 PolarHBondContact O-N 3.18Å; I1587-L1590 PolarHBondContact O-N 3.25Å; I1587-L1591 HydrophobicContact CG2-CD1 3.59Å; I1587-L1591 HydrophobicContact CG2-CG 4.17Å; I1587-L1591 WeakPolarHBondContact O-CB 3.42Å; I1587-L1591 VanDerWaalsContact O-CG 3.24Å; I1587-L1591 WeakPolarHBondContact O-CG 3.5Å; I1587-L1591 PolarHBondContact O-N 2.89Å; I1587-L1624 HydrophobicContact CG2-CD1 4.35Å; I1587-I1635 HydrophobicContact CD1-CB 4.46Å; I1587-I1635 HydrophobicContact CD1-CD1 4.06Å; I1587-I1635 HydrophobicContact CD1-CG1 4Å; I1587-I1635 HydrophobicContact CG1-CD1 4.45Å; I1587-A1638 HydrophobicContact CD1-CB 3.94Å; I1587-L1639 HydrophobicContact CG2-CD2 3.94Å |
| 1588 | N | 86.3 | Confident | 83.6 | Confident | 27 Ų | 27 | 30.2 Ų | 30.2 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 178.5 | -90.7 | -50 | 0 | 0 | 0 | 113.3 | G1584 H1585 V1586 L1592 E1642 P1772 | G1584-N1588 WeakPolarHBondContact O-CB 3.26Å; G1584-N1588 PolarHBondContact O-N 2.86Å; G1584-N1588 PolarHBondContact O-ND2 3.4Å; G1584-N1588 VanDerWaalsContact O-ND2 3.13Å; H1585-N1588 PolarHBondContact O-N 2.83Å; V1586-N1588 PolarHBondContact O-N 2.81Å; N1588-L1592 WeakPolarHBondContact O-CB 3.41Å; N1588-L1592 PolarHBondContact O-N 2.87Å; N1588-E1642 PolarHBondContact ND2-OE1 2.84Å; N1588-P1772 HydrophobicContact CB-CG 4.32Å; N1588-P1772 VanDerWaalsContact O-CB 3.31Å; N1588-P1772 WeakPolarHBondContact O-CB 3.49Å |
| 1589 | V | 87.8 | Confident | 82.9 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 16% | 0.164 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.3 | -37.7 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | L1507 F1508 H1585 V1586 I1587 L1592 L1593 | L1507-V1589 HydrophobicContact CD1-CG1 3.87Å; L1507-V1589 HydrophobicContact CG-CG1 4.02Å; F1508-V1589 HydrophobicContact CD1-CB 4.41Å; F1508-V1589 HydrophobicContact CD1-CG1 4.42Å; F1508-V1589 HydrophobicContact CD1-CG2 3.95Å; F1508-V1589 HydrophobicContact CE1-CB 4.21Å; F1508-V1589 HydrophobicContact CE1-CG2 3.91Å; H1585-V1589 WeakPolarHBondContact O-CG2 3.42Å; H1585-V1589 PolarHBondContact O-N 2.87Å; H1585-V1589 VanDerWaalsContact O-N 3.13Å; V1586-V1589 PolarHBondContact O-N 2.94Å; I1587-V1589 VanDerWaalsContact C-N 3.33Å; I1587-V1589 PolarHBondContact O-N 3.18Å; V1589-L1592 PolarHBondContact O-N 2.83Å; V1589-L1593 HydrophobicContact CG1-CD1 4.24Å; V1589-L1593 WeakPolarHBondContact O-CG 3.21Å; V1589-L1593 PolarHBondContact O-N 2.96Å; V1589-L1593 VanDerWaalsContact O-N 3.07Å |
| 1590 | L | 90.7 | Very high | 82.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 173 | -69.2 | 175.8 | 0 | 0 | 0 | 112 | L1507 I1567 V1586 I1587 L1593 A1594 A1620 A1623 L1624 I1627 | L1507-L1590 HydrophobicContact CD1-CD2 4.19Å; I1567-L1590 HydrophobicContact CG2-CD2 3.84Å; V1586-L1590 HydrophobicContact CG1-CD1 3.81Å; V1586-L1590 HydrophobicContact CG1-CG 4.31Å; V1586-L1590 WeakPolarHBondContact O-CG 3.26Å; V1586-L1590 PolarHBondContact O-N 2.83Å; I1587-L1590 PolarHBondContact O-N 3.25Å; L1590-L1593 PolarHBondContact O-N 3.27Å; L1590-A1594 WeakPolarHBondContact O-CB 3.42Å; L1590-A1594 PolarHBondContact O-N 3.01Å; L1590-A1620 HydrophobicContact CD2-CB 4.18Å; L1590-A1623 HydrophobicContact CD1-CB 4.32Å; L1590-A1623 HydrophobicContact CD2-CB 4.13Å; L1590-L1624 HydrophobicContact CB-CB 4.42Å; L1590-L1624 HydrophobicContact CB-CD1 4.35Å; L1590-I1627 HydrophobicContact CD1-CD1 3.49Å; L1590-I1627 VanDerWaalsContact CD1-CD1 3.49Å |
| 1591 | L | 88.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 173.7 | -71.6 | 164.9 | 0 | 0 | 0 | 111.6 | I1587 L1593 A1594 A1595 L1624 L1639 P1772 M1773 A1776 V1780 | I1587-L1591 HydrophobicContact CG2-CD1 3.59Å; I1587-L1591 HydrophobicContact CG2-CG 4.17Å; I1587-L1591 WeakPolarHBondContact O-CB 3.42Å; I1587-L1591 VanDerWaalsContact O-CG 3.24Å; I1587-L1591 WeakPolarHBondContact O-CG 3.5Å; I1587-L1591 PolarHBondContact O-N 2.89Å; L1591-L1593 VanDerWaalsContact C-N 3.3Å; L1591-L1593 PolarHBondContact O-N 2.88Å; L1591-A1594 PolarHBondContact O-N 3.39Å; L1591-A1595 WeakPolarHBondContact O-CB 3.47Å; L1591-A1595 PolarHBondContact O-N 3.24Å; L1591-L1624 HydrophobicContact CD2-CD1 4.39Å; L1591-L1624 HydrophobicContact CD2-CD2 3.68Å; L1591-L1624 HydrophobicContact CG-CD1 4.4Å; L1591-L1624 HydrophobicContact CG-CD2 4.38Å; L1591-L1639 HydrophobicContact CD1-CD2 3.96Å; L1591-P1772 HydrophobicContact CB-CB 4Å; L1591-M1773 HydrophobicContact CD1-CB 4.12Å; L1591-A1776 HydrophobicContact CB-CB 4.08Å; L1591-A1776 HydrophobicContact CD2-CB 3.77Å; L1591-V1780 HydrophobicContact CD2-CG2 3.59Å |
| 1592 | L | 86.8 | Confident | 80.7 | Confident | 88 Ų | 88 | 39.3 Ų | 39.3 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 178.3 | -174.9 | 62.7 | 0 | 0 | 0 | 112.4 | N1588 V1589 P1772 K1775 | N1588-L1592 WeakPolarHBondContact O-CB 3.41Å; N1588-L1592 PolarHBondContact O-N 2.87Å; V1589-L1592 PolarHBondContact O-N 2.83Å; L1592-P1772 HydrophobicContact CB-CB 4.18Å; L1592-P1772 HydrophobicContact CB-CG 4.43Å; L1592-K1775 HydrophobicContact CD1-CD 4.49Å |
| 1593 | L | 86.7 | Confident | 79.4 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.4 | -33 | 175.8 | -68.8 | 173.6 | 0 | 0 | 0 | 113 | L1507 I1567 V1589 L1590 L1591 L1616 A1617 A1620 | L1507-L1593 HydrophobicContact CD1-CD1 4.45Å; I1567-L1593 HydrophobicContact CD1-CD1 4Å; V1589-L1593 HydrophobicContact CG1-CD1 4.24Å; V1589-L1593 WeakPolarHBondContact O-CG 3.21Å; V1589-L1593 PolarHBondContact O-N 2.96Å; V1589-L1593 VanDerWaalsContact O-N 3.07Å; L1590-L1593 PolarHBondContact O-N 3.27Å; L1591-L1593 VanDerWaalsContact C-N 3.3Å; L1591-L1593 PolarHBondContact O-N 2.88Å; L1593-L1616 HydrophobicContact CD2-CD2 3.89Å; L1593-L1616 HydrophobicContact CD2-CG 4.43Å; L1593-A1617 WeakPolarHBondContact O-CA 3.4Å; L1593-A1617 WeakPolarHBondContact O-CB 3.3Å; L1593-A1620 HydrophobicContact CB-CB 3.53Å; L1593-A1620 HydrophobicContact CD1-CB 4.3Å |
| 1594 | A | 86.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -84.6 | -16.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1590 L1591 D1596 A1597 R1621 | L1590-A1594 WeakPolarHBondContact O-CB 3.42Å; L1590-A1594 PolarHBondContact O-N 3.01Å; L1591-A1594 PolarHBondContact O-N 3.39Å; A1594-D1596 VanDerWaalsContact C-N 3.31Å; A1594-D1596 PolarHBondContact O-N 2.9Å; A1594-A1597 WeakPolarHBondContact O-CB 3.25Å; A1594-A1597 PolarHBondContact O-N 3.16Å; A1594-R1621 HydrophobicContact CB-CB 4.21Å |
| 1595 | A | 82.4 | Confident | 76.4 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -39.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1591 A1597 K1775 A1776 | L1591-A1595 WeakPolarHBondContact O-CB 3.47Å; L1591-A1595 PolarHBondContact O-N 3.24Å; A1595-A1597 VanDerWaalsContact C-N 3.32Å; A1595-K1775 HydrophobicContact CB-CB 4.08Å; A1595-K1775 HydrophobicContact CB-CD 3.71Å; A1595-K1775 HydrophobicContact CB-CG 3.87Å; A1595-A1776 HydrophobicContact CB-CB 4Å |
| 1596 | D | 72.6 | Confident | 74.6 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.1 | 178.6 | -58.9 | -7 | 0 | 0 | 0 | 112.2 | A1594 E1598 M1599 L1600 R1613 K1775 | A1594-D1596 VanDerWaalsContact C-N 3.31Å; A1594-D1596 PolarHBondContact O-N 2.9Å; D1596-E1598 PolarHBondContact O-N 3.34Å; D1596-M1599 PolarHBondContact O-N 2.9Å; D1596-L1600 HydrophobicContact CB-CD1 3.68Å; D1596-L1600 HydrophobicContact CB-CG 4.14Å; D1596-L1600 WeakPolarHBondContact O-CB 3.22Å; D1596-L1600 VanDerWaalsContact O-CG 3.3Å; D1596-L1600 WeakPolarHBondContact O-CG 3.44Å; D1596-L1600 PolarHBondContact O-N 2.91Å; D1596-R1613 IonicContact OD2-CZ 3.27Å; D1596-R1613 IonicContact OD2-NH2 3.01Å; D1596-R1613 PolarHBondContact OD2-NH2 2.87Å; D1596-K1775 IonicContact OD1-NZ 3.82Å; D1596-K1775 PolarHBondContact OD1-NZ 2.84Å; D1596-K1775 IonicContact OD2-NZ 2.81Å |
| 1597 | A | 71.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1594 A1595 L1600 L1601 A1617 | A1594-A1597 WeakPolarHBondContact O-CB 3.25Å; A1594-A1597 PolarHBondContact O-N 3.16Å; A1595-A1597 VanDerWaalsContact C-N 3.32Å; A1597-L1600 CarbonylContact O-C 3.57Å; A1597-L1600 PolarHBondContact O-N 3.23Å; A1597-L1601 HydrophobicContact CB-CD1 4.45Å; A1597-L1601 WeakPolarHBondContact O-CB 3.21Å; A1597-L1601 WeakPolarHBondContact O-CD1 3.42Å; A1597-L1601 WeakPolarHBondContact O-CG 3.13Å; A1597-L1601 PolarHBondContact O-N 3.02Å; A1597-A1617 HydrophobicContact CB-CB 3.89Å |
| 1598 | E | 69.3 | Low | 70.8 | Confident | 75 Ų | 75 | 43.8 Ų | 43.8 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.8 | -41.5 | 179.3 | 177.8 | 163.6 | -156 | 0 | 0 | 112.5 | D1596 L1600 L1601 S1602 R1782 | D1596-E1598 PolarHBondContact O-N 3.34Å; E1598-L1600 VanDerWaalsContact C-N 3.26Å; E1598-L1600 PolarHBondContact O-N 3.01Å; E1598-L1601 PolarHBondContact O-N 3.32Å; E1598-S1602 VanDerWaalsContact O-CB 3.26Å; E1598-S1602 WeakPolarHBondContact O-CB 3.29Å; E1598-S1602 PolarHBondContact O-N 2.95Å; E1598-S1602 PolarHBondContact O-OG 2.73Å; E1598-R1782 VanDerWaalsContact CD-NH1 3.34Å; E1598-R1782 IonicContact OE1-CZ 3.16Å; E1598-R1782 IonicContact OE1-NH1 2.74Å; E1598-R1782 IonicContact OE1-NH2 3.92Å; E1598-R1782 PolarHBondContact OE1-NH2 2.88Å; E1598-R1782 IonicContact OE2-CZ 2.79Å; E1598-R1782 IonicContact OE2-NH1 3.91Å; E1598-R1782 PolarHBondContact OE2-NH1 3.47Å; E1598-R1782 IonicContact OE2-NH2 3.23Å; E1598-R1782 PolarHBondContact OE2-NH2 2.82Å |
| 1599 | M | 70.8 | Confident | 69.3 | Low | 137 Ų | 137 | 44.1 Ų | 44.1 | 68% | 0.675 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.9 | -40 | 174.3 | -167.2 | -160.5 | -47 | 0 | 0 | 111.1 | D1596 S1602 S1603 | D1596-M1599 PolarHBondContact O-N 2.9Å; M1599-S1602 PolarHBondContact O-OG 3.21Å; M1599-S1603 PolarHBondContact O-N 2.83Å; M1599-S1603 PolarHBondContact O-OG 3.41Å |
| 1600 | L | 67.2 | Low | 68.3 | Low | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.5 | -24.7 | 178.2 | -73.9 | 175.2 | 0 | 0 | 0 | 113.8 | D1596 A1597 E1598 S1603 N1604 R1613 V1614 A1617 | D1596-L1600 HydrophobicContact CB-CD1 3.68Å; D1596-L1600 HydrophobicContact CB-CG 4.14Å; D1596-L1600 WeakPolarHBondContact O-CB 3.22Å; D1596-L1600 VanDerWaalsContact O-CG 3.3Å; D1596-L1600 WeakPolarHBondContact O-CG 3.44Å; D1596-L1600 PolarHBondContact O-N 2.91Å; A1597-L1600 CarbonylContact O-C 3.57Å; A1597-L1600 PolarHBondContact O-N 3.23Å; E1598-L1600 VanDerWaalsContact C-N 3.26Å; E1598-L1600 PolarHBondContact O-N 3.01Å; L1600-S1603 PolarHBondContact O-OG 2.86Å; L1600-N1604 WeakPolarHBondContact O-CB 3.17Å; L1600-R1613 HydrophobicContact CD1-CG 4.16Å; L1600-V1614 HydrophobicContact CB-CB 4.5Å; L1600-V1614 HydrophobicContact CB-CG1 4.34Å; L1600-V1614 HydrophobicContact CB-CG2 4.04Å; L1600-V1614 HydrophobicContact CD2-CG2 4.15Å; L1600-V1614 VanDerWaalsContact O-CG1 3.32Å; L1600-V1614 WeakPolarHBondContact O-CG1 3.21Å; L1600-A1617 HydrophobicContact CD1-CB 4.13Å |
| 1601 | L | 67.6 | Low | 67.3 | Low | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -94.4 | -34.9 | 179.3 | -73.7 | 166.8 | 0 | 0 | 0 | 112.7 | A1597 E1598 S1603 N1604 V1614 R1618 | A1597-L1601 HydrophobicContact CB-CD1 4.45Å; A1597-L1601 WeakPolarHBondContact O-CB 3.21Å; A1597-L1601 WeakPolarHBondContact O-CD1 3.42Å; A1597-L1601 WeakPolarHBondContact O-CG 3.13Å; A1597-L1601 PolarHBondContact O-N 3.02Å; E1598-L1601 PolarHBondContact O-N 3.32Å; L1601-S1603 VanDerWaalsContact C-N 3.31Å; L1601-N1604 PolarHBondContact O-N 2.81Å; L1601-N1604 VanDerWaalsContact O-N 3.11Å; L1601-V1614 HydrophobicContact CD2-CG1 3.74Å; L1601-V1614 HydrophobicContact CG-CG1 4.24Å; L1601-R1618 HydrophobicContact CD2-CB 4.39Å; L1601-R1618 HydrophobicContact CD2-CG 4.48Å |
| 1602 | S | 65.2 | Low | 66.5 | Low | 93 Ų | 93 | 48.6 Ų | 48.6 | 65% | 0.65 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.6 | -29.7 | 175.7 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | E1598 M1599 N1604 | E1598-S1602 VanDerWaalsContact O-CB 3.26Å; E1598-S1602 WeakPolarHBondContact O-CB 3.29Å; E1598-S1602 PolarHBondContact O-N 2.95Å; E1598-S1602 PolarHBondContact O-OG 2.73Å; M1599-S1602 PolarHBondContact O-OG 3.21Å; S1602-N1604 VanDerWaalsContact C-N 3.35Å |
| 1603 | S | 56.2 | Low | 65.9 | Low | 45 Ų | 45 | 50.9 Ų | 50.9 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -76.8 | -20 | 169.5 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | I853 M1599 L1600 L1601 K1605 | I853-S1603 WeakPolarHBondContact CD1-OG 3.45Å; M1599-S1603 PolarHBondContact O-N 2.83Å; M1599-S1603 PolarHBondContact O-OG 3.41Å; L1600-S1603 PolarHBondContact O-OG 2.86Å; L1601-S1603 VanDerWaalsContact C-N 3.31Å; S1603-K1605 PolarHBondContact O-N 3.31Å |
| 1604 | N | 53.2 | Low | 65.6 | Low | 18 Ų | 18 | 49.1 Ų | 49.1 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -90.2 | 89.4 | -177.6 | -140 | 64.9 | 0 | 0 | 0 | 110.6 | L1600 L1601 S1602 S1606 V1614 | L1600-N1604 WeakPolarHBondContact O-CB 3.17Å; L1601-N1604 PolarHBondContact O-N 2.81Å; L1601-N1604 VanDerWaalsContact O-N 3.11Å; S1602-N1604 VanDerWaalsContact C-N 3.35Å; N1604-S1606 PolarHBondContact O-N 2.82Å; N1604-V1614 HydrophobicContact CB-CG1 4.28Å |
| 1605 | K | 51.7 | Low | 65.3 | Low | 84 Ų | 84 | 49.1 Ų | 49.1 | 37% | 0.365 | 27% | 0.269 | S | S | . | . | trans | -50.7 | 135.3 | 175.2 | -69 | 168.3 | -177.6 | 170.9 | 0 | 110.5 | Y919 S1603 C1607 Q1608 | Y919-K1605 HydrophobicContact CE1-CD 4.33Å; Y919-K1605 HydrophobicContact CE2-CB 3.83Å; Y919-K1605 HydrophobicContact CE2-CG 4.39Å; S1603-K1605 PolarHBondContact O-N 3.31Å; K1605-C1607 PolarHBondContact O-N 3.35Å; K1605-Q1608 PolarHBondContact O-N 3.22Å; K1605-Q1608 VanDerWaalsContact O-N 3.15Å | ||
| 1606 | S | 48 | Very low | 65.4 | Low | 105 Ų | 105 | 48.3 Ų | 48.3 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 7.2 | -153.9 | 52 | 0 | 0 | 0 | 0 | 118.4 | N1604 | N1604-S1606 PolarHBondContact O-N 2.82Š|
| 1607 | C | 46.5 | Very low | 66 | Low | 23 Ų | 23 | 46.8 Ų | 46.8 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 8.5 | -179.5 | -61.1 | 0 | 0 | 0 | 0 | 114 | L915 Y919 K1605 | L915-C1607 HydrophobicContact CB-CB 4.17Å; L915-C1607 VanDerWaalsContact O-CB 3.23Å; L915-C1607 WeakPolarHBondContact O-CB 3.29Å; Y919-C1607 HydrophobicContact CD2-CB 4.39Å; Y919-C1607 HydrophobicContact CG-CB 4.44Å; K1605-C1607 PolarHBondContact O-N 3.35Å |
| 1608 | Q | 51.6 | Low | 66.7 | Low | 30 Ų | 30 | 47.7 Ų | 47.7 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -84.1 | 148.1 | 174.2 | -65.8 | -166.3 | -67 | 0 | 0 | 112 | C860 K1605 I1610 | C860-Q1608 PolarHBondContact SG-NE2 3.41Å; K1605-Q1608 PolarHBondContact O-N 3.22Å; K1605-Q1608 VanDerWaalsContact O-N 3.15Å; Q1608-I1610 PolarHBondContact O-N 3.38Å; Q1608-I1610 VanDerWaalsContact O-N 3.1Å |
| 1609 | L | 54.8 | Low | 67.6 | Low | 34 Ų | 34 | 44.1 Ų | 44.1 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | trans | -53.1 | 114.7 | 169.1 | -82.3 | 157.2 | 0 | 0 | 0 | 110.1 | V912 R1174 S1611 | V912-L1609 HydrophobicContact CB-CD1 4.49Å; V912-L1609 HydrophobicContact CG1-CD1 3.98Å; V912-L1609 HydrophobicContact CG2-CD1 3.64Å; V912-L1609 HydrophobicContact CG2-CD2 3.9Å; V912-L1609 HydrophobicContact CG2-CG 3.74Å; R1174-L1609 HydrophobicContact CG-CD2 4.07Å; L1609-S1611 PolarHBondContact O-N 2.96Å | ||
| 1610 | I | 66.5 | Low | 68.6 | Low | 20 Ų | 20 | 37.6 Ų | 37.6 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | trans | -67.2 | 121.7 | -173.1 | -47.8 | -178.9 | 0 | 0 | 0 | 109.1 | L1176 Q1608 V1614 D1615 | L1176-I1610 HydrophobicContact CD1-CD1 3.93Å; L1176-I1610 HydrophobicContact CD2-CD1 4.22Å; L1176-I1610 HydrophobicContact CG-CD1 4.12Å; Q1608-I1610 PolarHBondContact O-N 3.38Å; Q1608-I1610 VanDerWaalsContact O-N 3.1Å; I1610-V1614 HydrophobicContact CG2-CB 3.68Å; I1610-V1614 HydrophobicContact CG2-CG1 3.61Å; I1610-D1615 HydrophobicContact CB-CB 4.17Å; I1610-D1615 HydrophobicContact CG2-CB 3.63Å | ||
| 1611 | S | 69 | Low | 69.7 | Low | 42 Ų | 42 | 39.3 Ų | 39.3 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | trans | -64.5 | 149.5 | 178.3 | 76.9 | 0 | 0 | 0 | 0 | 111 | L1609 R1613 V1614 D1615 | L1609-S1611 PolarHBondContact O-N 2.96Å; S1611-R1613 PolarHBondContact O-N 2.9Å; S1611-V1614 PolarHBondContact O-N 2.91Å; S1611-V1614 VanDerWaalsContact OG-CG2 3.22Å; S1611-V1614 WeakPolarHBondContact OG-CG2 3.26Å; S1611-D1615 PolarHBondContact O-N 3.3Å | ||
| 1612 | D | 72.7 | Confident | 70.7 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -53.8 | -30.6 | -173.7 | -79 | -12.3 | 0 | 0 | 0 | 113.7 | N1559 R1564 L1616 | N1559-D1612 HydrophobicContact CB-CB 3.8Å; R1564-D1612 IonicContact CZ-OD1 2.74Å; R1564-D1612 IonicContact NH1-OD1 3.71Å; R1564-D1612 PolarHBondContact NH1-OD1 3.44Å; R1564-D1612 IonicContact NH2-OD1 3.57Å; R1564-D1612 PolarHBondContact NH2-OD1 3.05Å; R1564-D1612 IonicContact NH2-OD2 3.59Å; D1612-L1616 VanDerWaalsContact O-CB 3.31Å; D1612-L1616 WeakPolarHBondContact O-CB 3.42Å; D1612-L1616 PolarHBondContact O-N 2.92Å; D1612-L1616 VanDerWaalsContact O-N 3.15Å |
| 1613 | R | 74.7 | Confident | 72 | Confident | 135 Ų | 135 | 36.5 Ų | 36.5 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -75.9 | -44.7 | 175.6 | -175.2 | 179 | 173.8 | 179 | -3.4 | 112.5 | D1596 L1600 S1611 D1615 L1616 A1617 | D1596-R1613 IonicContact OD2-CZ 3.27Å; D1596-R1613 IonicContact OD2-NH2 3.01Å; D1596-R1613 PolarHBondContact OD2-NH2 2.87Å; L1600-R1613 HydrophobicContact CD1-CG 4.16Å; S1611-R1613 PolarHBondContact O-N 2.9Å; R1613-D1615 VanDerWaalsContact C-N 3.32Å; R1613-L1616 PolarHBondContact O-N 2.95Å; R1613-A1617 PolarHBondContact O-N 2.84Å; R1613-A1617 VanDerWaalsContact O-N 3.1Å |
| 1614 | V | 79.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | L1600 L1601 N1604 I1610 S1611 A1617 R1618 | L1600-V1614 HydrophobicContact CB-CB 4.5Å; L1600-V1614 HydrophobicContact CB-CG1 4.34Å; L1600-V1614 HydrophobicContact CB-CG2 4.04Å; L1600-V1614 HydrophobicContact CD2-CG2 4.15Å; L1600-V1614 VanDerWaalsContact O-CG1 3.32Å; L1600-V1614 WeakPolarHBondContact O-CG1 3.21Å; L1601-V1614 HydrophobicContact CD2-CG1 3.74Å; L1601-V1614 HydrophobicContact CG-CG1 4.24Å; N1604-V1614 HydrophobicContact CB-CG1 4.28Å; I1610-V1614 HydrophobicContact CG2-CB 3.68Å; I1610-V1614 HydrophobicContact CG2-CG1 3.61Å; S1611-V1614 PolarHBondContact O-N 2.91Å; S1611-V1614 VanDerWaalsContact OG-CG2 3.22Å; S1611-V1614 WeakPolarHBondContact OG-CG2 3.26Å; V1614-A1617 PolarHBondContact O-N 3.39Å; V1614-R1618 WeakPolarHBondContact O-CB 3.34Å; V1614-R1618 PolarHBondContact O-N 3.18Å |
| 1615 | D | 80.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.3 | -33.2 | 179.6 | -169.5 | 42.5 | 0 | 0 | 0 | 112.7 | R1179 R1564 I1610 S1611 R1613 R1618 T1619 | R1179-D1615 IonicContact CZ-OD1 3.44Å; R1179-D1615 IonicContact CZ-OD2 2.73Å; R1179-D1615 VanDerWaalsContact CZ-OD2 3.28Å; R1179-D1615 VanDerWaalsContact NH1-CG 3.3Å; R1179-D1615 IonicContact NH1-OD1 3.02Å; R1179-D1615 PolarHBondContact NH1-OD1 2.91Å; R1179-D1615 IonicContact NH1-OD2 2.86Å; R1179-D1615 PolarHBondContact NH1-OD2 3.25Å; R1179-D1615 VanDerWaalsContact NH2-CG 3.29Å; R1179-D1615 IonicContact NH2-OD1 2.68Å; R1179-D1615 PolarHBondContact NH2-OD1 3.02Å; R1179-D1615 IonicContact NH2-OD2 3.98Å; R1179-D1615 PolarHBondContact NH2-OD2 3.11Å; R1564-D1615 WeakPolarHBondContact CD-OD2 3.16Å; R1564-D1615 IonicContact CZ-OD2 3.79Å; R1564-D1615 IonicContact NE-OD2 2.63Å; R1564-D1615 IonicContact NH1-OD2 3.83Å; R1564-D1615 PolarHBondContact NH1-OD2 2.62Å; I1610-D1615 HydrophobicContact CB-CB 4.17Å; I1610-D1615 HydrophobicContact CG2-CB 3.63Å; S1611-D1615 PolarHBondContact O-N 3.3Å; R1613-D1615 VanDerWaalsContact C-N 3.32Å; D1615-R1618 IonicContact OD1-CZ 2.78Å; D1615-R1618 IonicContact OD1-NE 3.53Å; D1615-R1618 PolarHBondContact OD1-NE 3.31Å; D1615-R1618 VanDerWaalsContact OD1-NE 3.13Å; D1615-R1618 IonicContact OD1-NH2 3.31Å; D1615-R1618 PolarHBondContact OD1-NH2 3.02Å; D1615-T1619 VanDerWaalsContact O-CB 3.29Å; D1615-T1619 WeakPolarHBondContact O-CB 3.01Å; D1615-T1619 PolarHBondContact O-N 3.25Å; D1615-T1619 PolarHBondContact O-OG1 2.94Å |
| 1616 | L | 85 | Confident | 77.3 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 170.6 | -176.2 | 71.7 | 0 | 0 | 0 | 111.1 | N1559 R1564 I1567 L1593 D1612 R1613 T1619 A1620 | N1559-L1616 WeakPolarHBondContact OD1-CD2 3.3Å; R1564-L1616 HydrophobicContact CG-CB 4.33Å; R1564-L1616 HydrophobicContact CG-CD1 3.77Å; I1567-L1616 HydrophobicContact CD1-CD1 3.48Å; I1567-L1616 VanDerWaalsContact CD1-CD1 3.48Å; L1593-L1616 HydrophobicContact CD2-CD2 3.89Å; L1593-L1616 HydrophobicContact CD2-CG 4.43Å; D1612-L1616 VanDerWaalsContact O-CB 3.31Å; D1612-L1616 WeakPolarHBondContact O-CB 3.42Å; D1612-L1616 PolarHBondContact O-N 2.92Å; D1612-L1616 VanDerWaalsContact O-N 3.15Å; R1613-L1616 PolarHBondContact O-N 2.95Å; L1616-T1619 PolarHBondContact O-N 3.1Å; L1616-A1620 WeakPolarHBondContact O-CB 3.42Å; L1616-A1620 PolarHBondContact O-N 3.23Å |
| 1617 | A | 85.8 | Confident | 79.3 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1593 A1597 L1600 R1613 V1614 A1620 R1621 | L1593-A1617 WeakPolarHBondContact O-CA 3.4Å; L1593-A1617 WeakPolarHBondContact O-CB 3.3Å; A1597-A1617 HydrophobicContact CB-CB 3.89Å; L1600-A1617 HydrophobicContact CD1-CB 4.13Å; R1613-A1617 PolarHBondContact O-N 2.84Å; R1613-A1617 VanDerWaalsContact O-N 3.1Å; V1614-A1617 PolarHBondContact O-N 3.39Å; A1617-A1620 PolarHBondContact O-N 2.63Å; A1617-R1621 PolarHBondContact O-N 3.02Å |
| 1618 | R | 85.7 | Confident | 81.3 | Confident | 18 Ų | 18 | 27.4 Ų | 27.4 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.2 | -50.5 | 172 | -173 | -171.5 | 77.9 | 98.6 | -9.2 | 111.7 | Y1180 L1601 V1614 D1615 A1620 R1621 E1622 | Y1180-R1618 PolarHBondContact OH-NH1 3.03Å; L1601-R1618 HydrophobicContact CD2-CB 4.39Å; L1601-R1618 HydrophobicContact CD2-CG 4.48Å; V1614-R1618 WeakPolarHBondContact O-CB 3.34Å; V1614-R1618 PolarHBondContact O-N 3.18Å; D1615-R1618 IonicContact OD1-CZ 2.78Å; D1615-R1618 IonicContact OD1-NE 3.53Å; D1615-R1618 PolarHBondContact OD1-NE 3.31Å; D1615-R1618 VanDerWaalsContact OD1-NE 3.13Å; D1615-R1618 IonicContact OD1-NH2 3.31Å; D1615-R1618 PolarHBondContact OD1-NH2 3.02Å; R1618-A1620 VanDerWaalsContact C-N 3.34Å; R1618-A1620 PolarHBondContact O-N 3.12Å; R1618-R1621 PolarHBondContact O-N 3.43Å; R1618-E1622 VanDerWaalsContact CG-OE1 3.29Å; R1618-E1622 WeakPolarHBondContact CG-OE1 3.18Å; R1618-E1622 IonicContact CZ-OE1 2.85Å; R1618-E1622 IonicContact CZ-OE2 3.14Å; R1618-E1622 IonicContact NE-OE1 3.82Å; R1618-E1622 VanDerWaalsContact NH1-CD 3.3Å; R1618-E1622 IonicContact NH1-OE1 3.42Å; R1618-E1622 PolarHBondContact NH1-OE1 3.27Å; R1618-E1622 IonicContact NH1-OE2 2.7Å; R1618-E1622 PolarHBondContact NH1-OE2 2.9Å; R1618-E1622 VanDerWaalsContact NH1-OE2 3.15Å; R1618-E1622 PolarHBondContact O-N 3.11Å |
| 1619 | T | 88.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | -178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | R1564 I1567 D1568 D1615 L1616 E1622 A1623 | R1564-T1619 HydrophobicContact CB-CG2 4.49Å; R1564-T1619 WeakPolarHBondContact O-CG2 3.43Å; I1567-T1619 HydrophobicContact CB-CG2 4.22Å; I1567-T1619 HydrophobicContact CG2-CG2 3.9Å; D1568-T1619 HydrophobicContact CB-CG2 3.8Å; D1615-T1619 VanDerWaalsContact O-CB 3.29Å; D1615-T1619 WeakPolarHBondContact O-CB 3.01Å; D1615-T1619 PolarHBondContact O-N 3.25Å; D1615-T1619 PolarHBondContact O-OG1 2.94Å; L1616-T1619 PolarHBondContact O-N 3.1Å; T1619-E1622 PolarHBondContact O-N 2.94Å; T1619-A1623 WeakPolarHBondContact O-CB 3.48Å; T1619-A1623 PolarHBondContact O-N 3.39Å |
| 1620 | A | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1567 L1590 L1593 L1616 A1617 R1618 A1623 L1624 | I1567-A1620 HydrophobicContact CG2-CB 4.37Å; L1590-A1620 HydrophobicContact CD2-CB 4.18Å; L1593-A1620 HydrophobicContact CB-CB 3.53Å; L1593-A1620 HydrophobicContact CD1-CB 4.3Å; L1616-A1620 WeakPolarHBondContact O-CB 3.42Å; L1616-A1620 PolarHBondContact O-N 3.23Å; A1617-A1620 PolarHBondContact O-N 2.63Å; R1618-A1620 VanDerWaalsContact C-N 3.34Å; R1618-A1620 PolarHBondContact O-N 3.12Å; A1620-A1623 PolarHBondContact O-N 3.05Å; A1620-L1624 WeakPolarHBondContact O-CB 3.15Å; A1620-L1624 PolarHBondContact O-N 3.39Å |
| 1621 | R | 90.4 | Very high | 85.6 | Confident | 63 Ų | 63 | 30.4 Ų | 30.4 | 24% | 0.238 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | 172.7 | -177.3 | 176.9 | 68.1 | 169 | 7.6 | 111.8 | A1594 A1617 R1618 A1623 L1624 W1625 E1779 | A1594-R1621 HydrophobicContact CB-CB 4.21Å; A1617-R1621 PolarHBondContact O-N 3.02Å; R1618-R1621 PolarHBondContact O-N 3.43Å; R1621-A1623 VanDerWaalsContact C-N 3.31Å; R1621-A1623 PolarHBondContact O-N 3.1Å; R1621-L1624 PolarHBondContact O-N 2.84Å; R1621-W1625 PolarHBondContact O-N 2.98Å; R1621-E1779 WeakPolarHBondContact CD-OE1 3.21Å; R1621-E1779 WeakPolarHBondContact CD-OE2 3.22Å; R1621-E1779 IonicContact CZ-OE1 3.2Å; R1621-E1779 IonicContact NE-OE1 3.2Å; R1621-E1779 IonicContact NH1-OE1 3.38Å; R1621-E1779 PolarHBondContact NH1-OE1 2.79Å |
| 1622 | E | 89.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 28.7 Ų | 28.7 | 33% | 0.332 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 178.1 | -76.2 | 167.9 | -158.4 | 0 | 0 | 111.8 | R1618 T1619 A1626 | R1618-E1622 VanDerWaalsContact CG-OE1 3.29Å; R1618-E1622 WeakPolarHBondContact CG-OE1 3.18Å; R1618-E1622 IonicContact CZ-OE1 2.85Å; R1618-E1622 IonicContact CZ-OE2 3.14Å; R1618-E1622 IonicContact NE-OE1 3.82Å; R1618-E1622 VanDerWaalsContact NH1-CD 3.3Å; R1618-E1622 IonicContact NH1-OE1 3.42Å; R1618-E1622 PolarHBondContact NH1-OE1 3.27Å; R1618-E1622 IonicContact NH1-OE2 2.7Å; R1618-E1622 PolarHBondContact NH1-OE2 2.9Å; R1618-E1622 VanDerWaalsContact NH1-OE2 3.15Å; R1618-E1622 PolarHBondContact O-N 3.11Å; T1619-E1622 PolarHBondContact O-N 2.94Å; E1622-A1626 WeakPolarHBondContact O-CB 3.49Å; E1622-A1626 PolarHBondContact O-N 2.71Å |
| 1623 | A | 91.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | I1567 L1590 T1619 A1620 R1621 W1625 A1626 I1627 | I1567-A1623 HydrophobicContact CG2-CB 3.67Å; I1567-A1623 WeakPolarHBondContact O-CB 3.42Å; L1590-A1623 HydrophobicContact CD1-CB 4.32Å; L1590-A1623 HydrophobicContact CD2-CB 4.13Å; T1619-A1623 WeakPolarHBondContact O-CB 3.48Å; T1619-A1623 PolarHBondContact O-N 3.39Å; A1620-A1623 PolarHBondContact O-N 3.05Å; R1621-A1623 VanDerWaalsContact C-N 3.31Å; R1621-A1623 PolarHBondContact O-N 3.1Å; A1623-W1625 VanDerWaalsContact C-N 3.35Å; A1623-W1625 PolarHBondContact O-N 3.23Å; A1623-A1626 PolarHBondContact O-N 3.06Å; A1623-I1627 VanDerWaalsContact O-CG1 3.26Å; A1623-I1627 WeakPolarHBondContact O-CG1 3.26Å; A1623-I1627 PolarHBondContact O-N 2.74Å |
| 1624 | L | 91.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.1 | -178.1 | 69.9 | 0 | 0 | 0 | 111.6 | I1587 L1590 L1591 A1620 R1621 G1628 I1635 L1783 | I1587-L1624 HydrophobicContact CG2-CD1 4.35Å; L1590-L1624 HydrophobicContact CB-CB 4.42Å; L1590-L1624 HydrophobicContact CB-CD1 4.35Å; L1591-L1624 HydrophobicContact CD2-CD1 4.39Å; L1591-L1624 HydrophobicContact CD2-CD2 3.68Å; L1591-L1624 HydrophobicContact CG-CD1 4.4Å; L1591-L1624 HydrophobicContact CG-CD2 4.38Å; A1620-L1624 WeakPolarHBondContact O-CB 3.15Å; A1620-L1624 PolarHBondContact O-N 3.39Å; R1621-L1624 PolarHBondContact O-N 2.84Å; L1624-G1628 PolarHBondContact O-N 3.25Å; L1624-I1635 HydrophobicContact CD1-CD1 4.07Å; L1624-L1783 HydrophobicContact CG-CD2 4.42Å |
| 1625 | W | 91.2 | Very high | 88.4 | Confident | 64 Ų | 64 | 23.3 Ų | 23.3 | 24% | 0.242 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.4 | -78.1 | 49.2 | 0 | 0 | 0 | 111.5 | R1621 A1623 I1627 G1628 F1629 E1779 R1782 L1783 Q1786 | R1621-W1625 PolarHBondContact O-N 2.98Å; A1623-W1625 VanDerWaalsContact C-N 3.35Å; A1623-W1625 PolarHBondContact O-N 3.23Å; W1625-I1627 PolarHBondContact O-N 2.97Å; W1625-G1628 PolarHBondContact O-N 3.35Å; W1625-F1629 HydrophobicContact CE3-CE2 4.13Å; W1625-F1629 VanDerWaalsContact O-CD2 3.29Å; W1625-F1629 WeakPolarHBondContact O-CD2 3.46Å; W1625-F1629 PolarHBondContact O-N 3.1Å; W1625-E1779 PolarHBondContact NE1-OE2 3.33Å; W1625-E1779 VanDerWaalsContact NE1-OE2 3.12Å; W1625-R1782 HydrophobicContact CZ2-CB 4.01Å; W1625-L1783 HydrophobicContact CG-CD1 4.23Å; W1625-Q1786 HydrophobicContact CH2-CG 4.03Å; W1625-Q1786 HydrophobicContact CZ3-CG 4.09Å |
| 1626 | A | 88.6 | Confident | 88.9 | Confident | 15 Ų | 15 | 23.3 Ų | 23.3 | 12% | 0.124 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1571 E1622 A1623 G1628 F1629 A1630 | G1571-A1626 WeakPolarHBondContact O-CB 3.47Å; E1622-A1626 WeakPolarHBondContact O-CB 3.49Å; E1622-A1626 PolarHBondContact O-N 2.71Å; A1623-A1626 PolarHBondContact O-N 3.06Å; A1626-G1628 VanDerWaalsContact C-N 3.34Å; A1626-G1628 PolarHBondContact O-N 3.17Å; A1626-F1629 PolarHBondContact O-N 3.31Å; A1626-A1630 VanDerWaalsContact O-CB 3.25Å; A1626-A1630 WeakPolarHBondContact O-CB 3.37Å; A1626-A1630 PolarHBondContact O-N 3.44Å |
| 1627 | I | 90.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 174 | -65.9 | 168.6 | 0 | 0 | 0 | 110.6 | F1574 V1586 L1590 A1623 W1625 F1629 A1630 R1631 I1635 | F1574-I1627 HydrophobicContact CB-CG1 3.95Å; F1574-I1627 HydrophobicContact CD1-CG2 4.21Å; F1574-I1627 HydrophobicContact CD2-CB 4.35Å; F1574-I1627 HydrophobicContact CD2-CD1 3.91Å; F1574-I1627 HydrophobicContact CD2-CG1 3.6Å; F1574-I1627 HydrophobicContact CD2-CG2 3.96Å; F1574-I1627 HydrophobicContact CE1-CG2 4.19Å; F1574-I1627 HydrophobicContact CE2-CD1 4.33Å; F1574-I1627 HydrophobicContact CE2-CG1 4.27Å; F1574-I1627 HydrophobicContact CE2-CG2 3.9Å; F1574-I1627 HydrophobicContact CG-CB 4.35Å; F1574-I1627 HydrophobicContact CG-CG1 3.82Å; F1574-I1627 HydrophobicContact CG-CG2 4.1Å; F1574-I1627 HydrophobicContact CZ-CG2 4.02Å; V1586-I1627 HydrophobicContact CG1-CD1 4.19Å; L1590-I1627 HydrophobicContact CD1-CD1 3.49Å; L1590-I1627 VanDerWaalsContact CD1-CD1 3.49Å; A1623-I1627 VanDerWaalsContact O-CG1 3.26Å; A1623-I1627 WeakPolarHBondContact O-CG1 3.26Å; A1623-I1627 PolarHBondContact O-N 2.74Å; W1625-I1627 PolarHBondContact O-N 2.97Å; I1627-F1629 PolarHBondContact O-N 2.95Å; I1627-A1630 PolarHBondContact O-N 3.27Å; I1627-R1631 PolarHBondContact O-N 3.06Å; I1627-I1635 HydrophobicContact CG2-CD1 4.42Å |
| 1628 | G | 88.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1624 W1625 A1626 R1631 P1632 | L1624-G1628 PolarHBondContact O-N 3.25Å; W1625-G1628 PolarHBondContact O-N 3.35Å; A1626-G1628 VanDerWaalsContact C-N 3.34Å; A1626-G1628 PolarHBondContact O-N 3.17Å; G1628-R1631 CarbonylContact O-C 3.56Å; G1628-P1632 VanDerWaalsContact O-CA 3.29Å; G1628-P1632 WeakPolarHBondContact O-CA 3.24Å; G1628-P1632 WeakPolarHBondContact O-CD 3.37Å; G1628-P1632 WeakPolarHBondContact O-CG 3.48Å; G1628-P1632 VanDerWaalsContact O-N 3.12Å |
| 1629 | F | 89.6 | Confident | 89.3 | Confident | 43 Ų | 43 | 25.9 Ų | 25.9 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.5 | -26.8 | 175.7 | -77.1 | -69.4 | 0 | 0 | 0 | 113.8 | W1625 A1626 I1627 Q1786 L1787 R1790 R1791 | W1625-F1629 HydrophobicContact CE3-CE2 4.13Å; W1625-F1629 VanDerWaalsContact O-CD2 3.29Å; W1625-F1629 WeakPolarHBondContact O-CD2 3.46Å; W1625-F1629 PolarHBondContact O-N 3.1Å; A1626-F1629 PolarHBondContact O-N 3.31Å; I1627-F1629 PolarHBondContact O-N 2.95Å; F1629-Q1786 HydrophobicContact CZ-CB 3.89Å; F1629-L1787 HydrophobicContact CD1-CD2 3.72Å; F1629-L1787 HydrophobicContact CE1-CD2 3.72Å; F1629-L1787 HydrophobicContact CE1-CG 4.44Å; F1629-L1787 HydrophobicContact CG-CD2 4.3Å; F1629-L1787 HydrophobicContact CZ-CD2 4.31Å; F1629-R1790 HydrophobicContact CE1-CB 4.09Å; F1629-R1791 HydrophobicContact CD1-CG 4.29Å; F1629-R1791 VanDerWaalsContact O-CZ 3.32Å; F1629-R1791 PolarHBondContact O-NH1 2.95Å; F1629-R1791 PolarHBondContact O-NH2 3.01Å |
| 1630 | A | 86.9 | Confident | 89.3 | Confident | 30 Ų | 30 | 25.8 Ų | 25.8 | 25% | 0.248 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.3 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P1575 A1626 I1627 | P1575-A1630 HydrophobicContact CG-CB 4.09Å; A1626-A1630 VanDerWaalsContact O-CB 3.25Å; A1626-A1630 WeakPolarHBondContact O-CB 3.37Å; A1626-A1630 PolarHBondContact O-N 3.44Å; I1627-A1630 PolarHBondContact O-N 3.27Å |
| 1631 | R | 87.7 | Confident | 89 | Confident | 74 Ų | 74 | 30.9 Ų | 30.9 | 28% | 0.279 | 15% | 0.152 | S | C | . | . | trans | -145.4 | 74 | 179.5 | -63.7 | -66 | -172.5 | -97.4 | -5.2 | 112.9 | F1574 E1578 I1627 G1628 K1633 L1634 I1635 | F1574-R1631 HydrophobicContact CD1-CG 4.13Å; F1574-R1631 HydrophobicContact CE1-CB 4.38Å; F1574-R1631 HydrophobicContact CE1-CG 3.91Å; E1578-R1631 IonicContact OE1-NE 3.6Å; E1578-R1631 IonicContact OE2-CZ 2.67Å; E1578-R1631 IonicContact OE2-NE 3.77Å; E1578-R1631 PolarHBondContact OE2-NE 2.7Å; E1578-R1631 IonicContact OE2-NH2 3.92Å; E1578-R1631 PolarHBondContact OE2-NH2 3.06Å; I1627-R1631 PolarHBondContact O-N 3.06Å; G1628-R1631 CarbonylContact O-C 3.56Å; R1631-K1633 PolarHBondContact O-N 3.1Å; R1631-L1634 HydrophobicContact CB-CB 3.74Å; R1631-L1634 HydrophobicContact CB-CD2 4.1Å; R1631-L1634 HydrophobicContact CG-CD2 4.32Å; R1631-L1634 PolarHBondContact O-N 3.29Å; R1631-L1634 VanDerWaalsContact O-N 3.12Å; R1631-I1635 PolarHBondContact O-N 3.17Å | ||
| 1632 | P | 89.8 | Confident | 88.5 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | -176.7 | -27.2 | 35.3 | 0 | 0 | 0 | 113.4 | G1628 L1634 I1635 T1636 L1787 R1791 D1794 I1795 | G1628-P1632 VanDerWaalsContact O-CA 3.29Å; G1628-P1632 WeakPolarHBondContact O-CA 3.24Å; G1628-P1632 WeakPolarHBondContact O-CD 3.37Å; G1628-P1632 WeakPolarHBondContact O-CG 3.48Å; G1628-P1632 VanDerWaalsContact O-N 3.12Å; P1632-L1634 VanDerWaalsContact C-N 3.29Å; P1632-L1634 PolarHBondContact O-N 2.9Å; P1632-I1635 WeakPolarHBondContact O-CG2 2.96Å; P1632-I1635 PolarHBondContact O-N 2.79Å; P1632-T1636 WeakPolarHBondContact O-CB 3.49Å; P1632-T1636 PolarHBondContact O-N 2.91Å; P1632-T1636 PolarHBondContact O-OG1 2.85Å; P1632-L1787 HydrophobicContact CB-CD1 4.49Å; P1632-L1787 HydrophobicContact CB-CD2 4.03Å; P1632-L1787 HydrophobicContact CG-CD2 3.88Å; P1632-R1791 HydrophobicContact CG-CB 4.49Å; P1632-R1791 HydrophobicContact CG-CG 4.48Å; P1632-D1794 HydrophobicContact CB-CB 3.89Å; P1632-D1794 HydrophobicContact CG-CB 3.93Å; P1632-I1795 HydrophobicContact CB-CD1 4.33Å |
| 1633 | K | 89 | Confident | 88.1 | Confident | 66 Ų | 66 | 26.4 Ų | 26.4 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 179.6 | -61.6 | -176.7 | -179.7 | -174.3 | 0 | 113.2 | R1631 L1637 D1794 D1797 V1798 | R1631-K1633 PolarHBondContact O-N 3.1Å; K1633-L1637 WeakPolarHBondContact O-CB 3.04Å; K1633-L1637 WeakPolarHBondContact O-CD1 3.17Å; K1633-L1637 VanDerWaalsContact O-CG 3.26Å; K1633-L1637 WeakPolarHBondContact O-CG 3.39Å; K1633-L1637 PolarHBondContact O-N 2.91Å; K1633-D1794 WeakPolarHBondContact CE-O 3.01Å; K1633-D1794 WeakPolarHBondContact CG-O 3.22Å; K1633-D1797 IonicContact NZ-OD2 3.41Å; K1633-D1797 PolarHBondContact NZ-OD2 2.81Å; K1633-V1798 HydrophobicContact CB-CG1 4.13Å; K1633-V1798 HydrophobicContact CD-CG1 4.48Å; K1633-V1798 HydrophobicContact CG-CG1 4.04Å; K1633-V1798 HydrophobicContact CG-CG2 4.25Å |
| 1634 | L | 86.6 | Confident | 87.5 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.1 | -47.8 | 179.9 | 176.4 | 61.7 | 0 | 0 | 0 | 111.9 | F1574 E1578 V1583 R1631 P1632 T1636 L1637 A1638 | F1574-L1634 HydrophobicContact CE1-CD2 3.71Å; F1574-L1634 HydrophobicContact CZ-CD2 3.73Å; E1578-L1634 WeakPolarHBondContact OE1-CD2 3.34Å; V1583-L1634 HydrophobicContact CG1-CD1 4.14Å; V1583-L1634 HydrophobicContact CG1-CD2 3.94Å; V1583-L1634 HydrophobicContact CG1-CG 3.92Å; V1583-L1634 HydrophobicContact CG2-CD1 4.44Å; V1583-L1634 HydrophobicContact CG2-CD2 4.06Å; R1631-L1634 HydrophobicContact CB-CB 3.74Å; R1631-L1634 HydrophobicContact CB-CD2 4.1Å; R1631-L1634 HydrophobicContact CG-CD2 4.32Å; R1631-L1634 PolarHBondContact O-N 3.29Å; R1631-L1634 VanDerWaalsContact O-N 3.12Å; P1632-L1634 VanDerWaalsContact C-N 3.29Å; P1632-L1634 PolarHBondContact O-N 2.9Å; L1634-T1636 VanDerWaalsContact C-N 3.28Å; L1634-T1636 PolarHBondContact O-N 3.1Å; L1634-L1637 PolarHBondContact O-N 2.65Å; L1634-A1638 WeakPolarHBondContact O-CB 3.45Å; L1634-A1638 PolarHBondContact O-N 3.19Å |
| 1635 | I | 89.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 178.8 | -170.3 | 144.9 | 0 | 0 | 0 | 110.9 | I1587 L1624 I1627 R1631 P1632 A1638 L1639 L1783 L1787 | I1587-I1635 HydrophobicContact CD1-CB 4.46Å; I1587-I1635 HydrophobicContact CD1-CD1 4.06Å; I1587-I1635 HydrophobicContact CD1-CG1 4Å; I1587-I1635 HydrophobicContact CG1-CD1 4.45Å; L1624-I1635 HydrophobicContact CD1-CD1 4.07Å; I1627-I1635 HydrophobicContact CG2-CD1 4.42Å; R1631-I1635 PolarHBondContact O-N 3.17Å; P1632-I1635 WeakPolarHBondContact O-CG2 2.96Å; P1632-I1635 PolarHBondContact O-N 2.79Å; I1635-A1638 PolarHBondContact O-N 2.79Å; I1635-L1639 HydrophobicContact CG1-CD1 3.78Å; I1635-L1639 HydrophobicContact CG1-CG 4.25Å; I1635-L1639 WeakPolarHBondContact O-CB 3.4Å; I1635-L1639 VanDerWaalsContact O-CG 3.25Å; I1635-L1639 WeakPolarHBondContact O-CG 3.28Å; I1635-L1639 PolarHBondContact O-N 2.78Å; I1635-L1783 HydrophobicContact CD1-CD2 3.76Å; I1635-L1783 HydrophobicContact CG1-CD2 4.37Å; I1635-L1787 HydrophobicContact CG2-CD1 4.29Å |
| 1636 | T | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -53 | 171.6 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | P1632 L1634 A1638 L1639 S1640 F1784 V1798 E1801 V1802 | P1632-T1636 WeakPolarHBondContact O-CB 3.49Å; P1632-T1636 PolarHBondContact O-N 2.91Å; P1632-T1636 PolarHBondContact O-OG1 2.85Å; L1634-T1636 VanDerWaalsContact C-N 3.28Å; L1634-T1636 PolarHBondContact O-N 3.1Å; T1636-A1638 PolarHBondContact O-N 2.88Å; T1636-L1639 PolarHBondContact O-N 3.42Å; T1636-S1640 VanDerWaalsContact O-CB 3.31Å; T1636-S1640 WeakPolarHBondContact O-CB 3.27Å; T1636-S1640 PolarHBondContact O-N 3.02Å; T1636-F1784 HydrophobicContact CG2-CE1 4.29Å; T1636-F1784 WeakPolarHBondContact OG1-CE1 3.41Å; T1636-V1798 HydrophobicContact CG2-CB 3.96Å; T1636-V1798 HydrophobicContact CG2-CG2 3.81Å; T1636-E1801 HydrophobicContact CG2-CB 3.5Å; T1636-V1802 HydrophobicContact CG2-CG2 3.53Å |
| 1637 | L | 89 | Confident | 84.3 | Confident | 55 Ų | 55 | 35.9 Ų | 35.9 | 29% | 0.288 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.1 | -40.5 | -179.7 | -74.2 | 164.6 | 0 | 0 | 0 | 112.2 | T1408 K1633 L1634 L1641 E1801 | T1408-L1637 HydrophobicContact CG2-CD1 4.07Å; K1633-L1637 WeakPolarHBondContact O-CB 3.04Å; K1633-L1637 WeakPolarHBondContact O-CD1 3.17Å; K1633-L1637 VanDerWaalsContact O-CG 3.26Å; K1633-L1637 WeakPolarHBondContact O-CG 3.39Å; K1633-L1637 PolarHBondContact O-N 2.91Å; L1634-L1637 PolarHBondContact O-N 2.65Å; L1637-L1641 WeakPolarHBondContact O-CB 3.28Å; L1637-L1641 VanDerWaalsContact O-CG 3.25Å; L1637-L1641 WeakPolarHBondContact O-CG 3.44Å; L1637-L1641 PolarHBondContact O-N 2.84Å; L1637-E1801 HydrophobicContact CD2-CG 4.12Å |
| 1638 | A | 88.1 | Confident | 82.6 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V1583 I1587 L1634 I1635 T1636 E1642 | V1583-A1638 HydrophobicContact CG1-CB 4.4Å; I1587-A1638 HydrophobicContact CD1-CB 3.94Å; L1634-A1638 WeakPolarHBondContact O-CB 3.45Å; L1634-A1638 PolarHBondContact O-N 3.19Å; I1635-A1638 PolarHBondContact O-N 2.79Å; T1636-A1638 PolarHBondContact O-N 2.88Å; A1638-E1642 WeakPolarHBondContact O-CB 3.38Å; A1638-E1642 PolarHBondContact O-N 2.56Å; A1638-E1642 VanDerWaalsContact O-N 3.11Å |
| 1639 | L | 89.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | 177.9 | -67.7 | 171.9 | 0 | 0 | 0 | 112 | I1587 L1591 I1635 T1636 E1642 V1643 M1773 V1780 F1784 V1805 | I1587-L1639 HydrophobicContact CG2-CD2 3.94Å; L1591-L1639 HydrophobicContact CD1-CD2 3.96Å; I1635-L1639 HydrophobicContact CG1-CD1 3.78Å; I1635-L1639 HydrophobicContact CG1-CG 4.25Å; I1635-L1639 WeakPolarHBondContact O-CB 3.4Å; I1635-L1639 VanDerWaalsContact O-CG 3.25Å; I1635-L1639 WeakPolarHBondContact O-CG 3.28Å; I1635-L1639 PolarHBondContact O-N 2.78Å; T1636-L1639 PolarHBondContact O-N 3.42Å; L1639-E1642 PolarHBondContact O-N 2.85Å; L1639-V1643 WeakPolarHBondContact O-CG2 3.38Å; L1639-V1643 PolarHBondContact O-N 2.78Å; L1639-M1773 HydrophobicContact CD2-CG 4.18Å; L1639-M1773 HydrophobicContact CD2-SD 4.22Å; L1639-V1780 HydrophobicContact CD1-CG1 4.24Å; L1639-F1784 HydrophobicContact CD1-CE2 3.7Å; L1639-F1784 HydrophobicContact CD1-CZ 3.88Å; L1639-V1805 HydrophobicContact CB-CG1 4.21Å; L1639-V1805 HydrophobicContact CB-CG2 3.93Å |
| 1640 | S | 87.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.3 | 162.8 | 0 | 0 | 0 | 0 | 112.2 | T1636 E1642 V1643 R1644 E1804 | T1636-S1640 VanDerWaalsContact O-CB 3.31Å; T1636-S1640 WeakPolarHBondContact O-CB 3.27Å; T1636-S1640 PolarHBondContact O-N 3.02Å; S1640-E1642 VanDerWaalsContact C-N 3.26Å; S1640-E1642 PolarHBondContact O-N 2.91Å; S1640-V1643 WeakPolarHBondContact O-CB 3.14Å; S1640-V1643 PolarHBondContact O-N 3.03Å; S1640-R1644 VanDerWaalsContact O-CG 3.25Å; S1640-R1644 WeakPolarHBondContact O-CG 3.45Å; S1640-R1644 PolarHBondContact O-N 3.16Å; S1640-R1644 PolarHBondContact OG-NE 2.82Å; S1640-R1644 PolarHBondContact OG-NH2 3.26Å; S1640-R1644 VanDerWaalsContact OG-NH2 3.09Å; S1640-E1804 PolarHBondContact OG-OE2 3Å |
| 1641 | L | 84.5 | Confident | 77 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 56% | 0.56 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58.9 | -39.4 | 173.3 | -77.1 | 168.2 | 0 | 0 | 0 | 111.8 | L1637 R1644 R1645 | L1637-L1641 WeakPolarHBondContact O-CB 3.28Å; L1637-L1641 VanDerWaalsContact O-CG 3.25Å; L1637-L1641 WeakPolarHBondContact O-CG 3.44Å; L1637-L1641 PolarHBondContact O-N 2.84Å; L1641-R1644 PolarHBondContact O-N 3.26Å; L1641-R1645 WeakPolarHBondContact O-CB 3.16Å; L1641-R1645 PolarHBondContact O-N 3.25Å |
| 1642 | E | 81.5 | Confident | 74.7 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.9 | -35.6 | 179.9 | -159 | 72.9 | 157.3 | 0 | 0 | 112.4 | N1588 A1638 L1639 S1640 R1645 F1646 | N1588-E1642 PolarHBondContact ND2-OE1 2.84Å; A1638-E1642 WeakPolarHBondContact O-CB 3.38Å; A1638-E1642 PolarHBondContact O-N 2.56Å; A1638-E1642 VanDerWaalsContact O-N 3.11Å; L1639-E1642 PolarHBondContact O-N 2.85Å; S1640-E1642 VanDerWaalsContact C-N 3.26Å; S1640-E1642 PolarHBondContact O-N 2.91Å; E1642-R1645 PolarHBondContact O-N 3.15Å; E1642-R1645 IonicContact OE1-CZ 2.82Å; E1642-R1645 IonicContact OE1-NH1 3.08Å; E1642-R1645 PolarHBondContact OE1-NH1 3.47Å; E1642-R1645 WeakPolarHBondContact OE2-CD 3.46Å; E1642-R1645 IonicContact OE2-CZ 3.28Å; E1642-R1645 IonicContact OE2-NE 3.38Å; E1642-R1645 IonicContact OE2-NH1 3.66Å; E1642-R1645 PolarHBondContact OE2-NH1 3.4Å; E1642-F1646 HydrophobicContact CG-CD2 3.85Å; E1642-F1646 HydrophobicContact CG-CE2 3.54Å; E1642-F1646 VanDerWaalsContact O-CD2 3.25Å; E1642-F1646 WeakPolarHBondContact O-CD2 3.39Å; E1642-F1646 PolarHBondContact O-N 2.85Å; E1642-F1646 WeakPolarHBondContact OE1-CE2 3.36Å |
| 1643 | V | 80.3 | Confident | 72.3 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.7 | -50.4 | 165.9 | 170 | 0 | 0 | 0 | 0 | 110.5 | L1639 S1640 R1645 F1646 G1647 M1773 E1804 V1805 A1808 | L1639-V1643 WeakPolarHBondContact O-CG2 3.38Å; L1639-V1643 PolarHBondContact O-N 2.78Å; S1640-V1643 WeakPolarHBondContact O-CB 3.14Å; S1640-V1643 PolarHBondContact O-N 3.03Å; V1643-R1645 PolarHBondContact O-N 3.49Å; V1643-F1646 PolarHBondContact O-N 3.47Å; V1643-G1647 PolarHBondContact O-N 3.22Å; V1643-M1773 HydrophobicContact CB-CE 4.42Å; V1643-M1773 HydrophobicContact CG2-CE 3.47Å; V1643-M1773 VanDerWaalsContact CG2-CE 3.47Å; V1643-M1773 HydrophobicContact CG2-SD 3.72Å; V1643-E1804 HydrophobicContact CG1-CG 4.17Å; V1643-V1805 HydrophobicContact CG2-CG2 4.06Å; V1643-A1808 HydrophobicContact CB-CB 4.47Å; V1643-A1808 HydrophobicContact CG1-CB 3.79Å; V1643-A1808 HydrophobicContact CG2-CB 3.73Å |
| 1644 | R | 79.4 | Confident | 69.8 | Low | 96 Ų | 96 | 52.2 Ų | 52.2 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | -179.1 | -68.1 | 165.6 | -172.8 | 174.3 | 5.9 | 111.3 | S1640 L1641 G1647 A1648 E1801 E1804 | S1640-R1644 VanDerWaalsContact O-CG 3.25Å; S1640-R1644 WeakPolarHBondContact O-CG 3.45Å; S1640-R1644 PolarHBondContact O-N 3.16Å; S1640-R1644 PolarHBondContact OG-NE 2.82Å; S1640-R1644 PolarHBondContact OG-NH2 3.26Å; S1640-R1644 VanDerWaalsContact OG-NH2 3.09Å; L1641-R1644 PolarHBondContact O-N 3.26Å; R1644-G1647 PolarHBondContact O-N 3.12Å; R1644-A1648 PolarHBondContact O-N 3.38Å; R1644-A1648 VanDerWaalsContact O-N 3.14Å; R1644-E1801 IonicContact CZ-OE1 3.3Å; R1644-E1801 IonicContact NH1-OE1 3.84Å; R1644-E1801 IonicContact NH2-OE1 2.79Å; R1644-E1801 PolarHBondContact NH2-OE1 3.35Å; R1644-E1804 VanDerWaalsContact CG-OE1 3.27Å; R1644-E1804 WeakPolarHBondContact CG-OE1 3.27Å; R1644-E1804 IonicContact CZ-OE1 3.84Å; R1644-E1804 IonicContact CZ-OE2 3.63Å; R1644-E1804 VanDerWaalsContact NE-CD 3.34Å; R1644-E1804 IonicContact NE-OE1 2.8Å; R1644-E1804 PolarHBondContact NE-OE1 2.81Å; R1644-E1804 IonicContact NE-OE2 3.75Å; R1644-E1804 PolarHBondContact NE-OE2 2.71Å; R1644-E1804 IonicContact NH2-OE1 2.62Å; R1644-E1804 IonicContact NH2-OE2 2.7Å; R1644-E1804 PolarHBondContact NH2-OE2 2.79Å |
| 1645 | R | 73.2 | Confident | 67.2 | Low | 135 Ų | 135 | 54.7 Ų | 54.7 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.4 | -177.6 | -167.9 | 178.9 | -173.3 | -4.7 | 112.6 | L1641 E1642 V1643 A1648 Q1649 | L1641-R1645 WeakPolarHBondContact O-CB 3.16Å; L1641-R1645 PolarHBondContact O-N 3.25Å; E1642-R1645 PolarHBondContact O-N 3.15Å; E1642-R1645 IonicContact OE1-CZ 2.82Å; E1642-R1645 IonicContact OE1-NH1 3.08Å; E1642-R1645 PolarHBondContact OE1-NH1 3.47Å; E1642-R1645 WeakPolarHBondContact OE2-CD 3.46Å; E1642-R1645 IonicContact OE2-CZ 3.28Å; E1642-R1645 IonicContact OE2-NE 3.38Å; E1642-R1645 IonicContact OE2-NH1 3.66Å; E1642-R1645 PolarHBondContact OE2-NH1 3.4Å; V1643-R1645 PolarHBondContact O-N 3.49Å; R1645-A1648 PolarHBondContact O-N 3.47Å; R1645-Q1649 PolarHBondContact O-N 2.84Å |
| 1646 | F | 67.9 | Low | 64.7 | Low | 27 Ų | 27 | 58.1 Ų | 58.1 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.8 | -31.3 | 179.3 | -72.3 | -60.3 | 0 | 0 | 0 | 112.8 | E1642 V1643 A1648 Q1649 I1650 P1771 F1774 | E1642-F1646 HydrophobicContact CG-CD2 3.85Å; E1642-F1646 HydrophobicContact CG-CE2 3.54Å; E1642-F1646 VanDerWaalsContact O-CD2 3.25Å; E1642-F1646 WeakPolarHBondContact O-CD2 3.39Å; E1642-F1646 PolarHBondContact O-N 2.85Å; E1642-F1646 WeakPolarHBondContact OE1-CE2 3.36Å; V1643-F1646 PolarHBondContact O-N 3.47Å; F1646-A1648 VanDerWaalsContact C-N 3.26Å; F1646-A1648 PolarHBondContact O-N 3.04Å; F1646-Q1649 VanDerWaalsContact CD1-OE1 3.29Å; F1646-Q1649 PolarHBondContact O-N 3.3Å; F1646-Q1649 VanDerWaalsContact O-N 3.1Å; F1646-I1650 WeakPolarHBondContact O-CG1 3.22Å; F1646-I1650 PolarHBondContact O-N 2.93Å; F1646-P1771 HydrophobicContact CB-CG 4.47Å; F1646-P1771 HydrophobicContact CD1-CB 4.16Å; F1646-P1771 HydrophobicContact CD1-CG 3.49Å; F1646-P1771 VanDerWaalsContact CD1-CG 3.49Å; F1646-P1771 HydrophobicContact CD2-CB 3.72Å; F1646-P1771 HydrophobicContact CD2-CG 3.86Å; F1646-P1771 HydrophobicContact CE1-CB 3.96Å; F1646-P1771 HydrophobicContact CE1-CG 3.57Å; F1646-P1771 HydrophobicContact CE2-CB 3.47Å; F1646-P1771 VanDerWaalsContact CE2-CB 3.47Å; F1646-P1771 HydrophobicContact CE2-CG 3.92Å; F1646-P1771 HydrophobicContact CG-CB 4.08Å; F1646-P1771 HydrophobicContact CG-CG 3.66Å; F1646-P1771 HydrophobicContact CZ-CB 3.62Å; F1646-P1771 HydrophobicContact CZ-CG 3.81Å; F1646-F1774 HydrophobicContact CB-CE2 4.05Å |
| 1647 | G | 62 | Low | 62.2 | Low | 26 Ų | 26 | 64.3 Ų | 64.3 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.6 | -37.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1643 R1644 N1651 | V1643-G1647 PolarHBondContact O-N 3.22Å; R1644-G1647 PolarHBondContact O-N 3.12Å; G1647-N1651 PolarHBondContact O-N 2.8Å; G1647-N1651 PolarHBondContact O-ND2 2.87Å |
| 1648 | A | 55.2 | Low | 59.6 | Low | 62 Ų | 62 | 67.2 Ų | 67.2 | 51% | 0.512 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1644 R1645 F1646 N1651 A1652 | R1644-A1648 PolarHBondContact O-N 3.38Å; R1644-A1648 VanDerWaalsContact O-N 3.14Å; R1645-A1648 PolarHBondContact O-N 3.47Å; F1646-A1648 VanDerWaalsContact C-N 3.26Å; F1646-A1648 PolarHBondContact O-N 3.04Å; A1648-N1651 PolarHBondContact O-N 3.08Å; A1648-A1652 WeakPolarHBondContact O-CB 3.44Å; A1648-A1652 PolarHBondContact O-N 3.33Å |
| 1649 | Q | 52.8 | Low | 57 | Low | 112 Ų | 112 | 70.9 Ų | 70.9 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 179.5 | -68.3 | -173.9 | -20.7 | 0 | 0 | 113 | R1645 F1646 A1652 A1653 | R1645-Q1649 PolarHBondContact O-N 2.84Å; F1646-Q1649 VanDerWaalsContact CD1-OE1 3.29Å; F1646-Q1649 PolarHBondContact O-N 3.3Å; F1646-Q1649 VanDerWaalsContact O-N 3.1Å; Q1649-A1652 PolarHBondContact O-N 2.79Å; Q1649-A1653 PolarHBondContact O-N 2.86Å |
| 1650 | I | 50.6 | Low | 54.2 | Low | 111 Ų | 111 | 78 Ų | 78 | 57% | 0.569 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 175.8 | -67 | 164.4 | 0 | 0 | 0 | 110.7 | F1646 A1654 | F1646-I1650 WeakPolarHBondContact O-CG1 3.22Å; F1646-I1650 PolarHBondContact O-N 2.93Å; I1650-A1654 PolarHBondContact O-N 3.28Å |
| 1651 | N | 42.7 | Very low | 51.4 | Low | 114 Ų | 114 | 83.8 Ų | 83.8 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.2 | -33 | 176.2 | -73.8 | -59 | 0 | 0 | 0 | 113.1 | G1647 A1648 S1655 | G1647-N1651 PolarHBondContact O-N 2.8Å; G1647-N1651 PolarHBondContact O-ND2 2.87Å; A1648-N1651 PolarHBondContact O-N 3.08Å; N1651-S1655 PolarHBondContact O-N 2.84Å; N1651-S1655 PolarHBondContact O-OG 3.24Å |
| 1652 | A | 39.7 | Very low | 48.8 | Very low | 57 Ų | 57 | 82 Ų | 82 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1648 Q1649 A1654 S1655 A1656 | A1648-A1652 WeakPolarHBondContact O-CB 3.44Å; A1648-A1652 PolarHBondContact O-N 3.33Å; Q1649-A1652 PolarHBondContact O-N 2.79Å; A1652-A1654 VanDerWaalsContact C-N 3.33Å; A1652-A1654 PolarHBondContact O-N 3.47Å; A1652-S1655 WeakPolarHBondContact CA-OG 3.38Å; A1652-S1655 PolarHBondContact O-N 2.87Å; A1652-S1655 PolarHBondContact O-OG 2.98Å; A1652-A1656 PolarHBondContact O-N 2.97Å |
| 1653 | A | 40 | Very low | 46.4 | Very low | 49 Ų | 49 | 93.4 Ų | 93.4 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1649 | Q1649-A1653 PolarHBondContact O-N 2.86Å |
| 1654 | A | 35.8 | Very low | 43.9 | Very low | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -35.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1650 A1652 | I1650-A1654 PolarHBondContact O-N 3.28Å; A1652-A1654 VanDerWaalsContact C-N 3.33Å; A1652-A1654 PolarHBondContact O-N 3.47Å |
| 1655 | S | 33.4 | Very low | 41.5 | Very low | 73 Ų | 73 | 98.3 Ų | 98.3 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -82 | -19.8 | -177.2 | 42.6 | 0 | 0 | 0 | 0 | 114.2 | N1651 A1652 I1657 T1658 | N1651-S1655 PolarHBondContact O-N 2.84Å; N1651-S1655 PolarHBondContact O-OG 3.24Å; A1652-S1655 WeakPolarHBondContact CA-OG 3.38Å; A1652-S1655 PolarHBondContact O-N 2.87Å; A1652-S1655 PolarHBondContact O-OG 2.98Å; S1655-I1657 VanDerWaalsContact C-N 3.27Å; S1655-I1657 PolarHBondContact O-N 2.91Å; S1655-T1658 PolarHBondContact O-OG1 2.78Å |
| 1656 | A | 36.1 | Very low | 39.4 | Very low | 73 Ų | 73 | 100.1 Ų | 100.1 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -16.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1652 | A1652-A1656 PolarHBondContact O-N 2.97Š|
| 1657 | I | 37.7 | Very low | 37.5 | Very low | 130 Ų | 130 | 103.4 Ų | 103.4 | 67% | 0.667 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -25.6 | -177.3 | -63.9 | 172.3 | 0 | 0 | 0 | 111.6 | S1655 S1659 | S1655-I1657 VanDerWaalsContact C-N 3.27Å; S1655-I1657 PolarHBondContact O-N 2.91Å; I1657-S1659 VanDerWaalsContact C-N 3.26Å; I1657-S1659 PolarHBondContact O-N 2.85Å |
| 1658 | T | 34.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 108.1 Ų | 108.1 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 4.1 | -174.3 | 47.1 | 0 | 0 | 0 | 0 | 115.3 | S1655 | S1655-T1658 PolarHBondContact O-OG1 2.78Š|
| 1659 | S | 33.1 | Very low | 34.6 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 7.5 | -178.7 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | I1657 | I1657-S1659 VanDerWaalsContact C-N 3.26Å; I1657-S1659 PolarHBondContact O-N 2.85Å |
| 1660 | N | 30.6 | Very low | 33.4 | Very low | 155 Ų | 155 | 110.8 Ų | 110.8 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | trans | -140.3 | 70.2 | -173.5 | -123.4 | -6.1 | 0 | 0 | 0 | 113.8 | ||||
| 1661 | S | 29.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 111 Ų | 111 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | trans | -142.5 | 69.6 | 171.2 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1662 | G | 28.7 | Very low | 32.3 | Very low | 69 Ų | 69 | 110.6 Ų | 110.6 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | trans | -133.7 | 121.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1663 | R | 30.9 | Very low | 31.8 | Very low | 261 Ų | 261 | 114.5 Ų | 114.5 | 99% | 0.985 | 72% | 0.72 | S | S | * | * | trans | 66.7 | 129.5 | 176.4 | -71.5 | -178.1 | 167.7 | 160.2 | -2.9 | 118.2 | ||||
| 1664 | S | 28.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -109.5 | 131.3 | 162.9 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1665 | S | 28.3 | Very low | 31.1 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 179.8 | 129.2 | 142.8 | 53.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1666 | I | 30.6 | Very low | 31.1 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 169.8 | 144.3 | -62.4 | 168.4 | 0 | 0 | 0 | 115.6 | ||||
| 1667 | S | 27.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -128.2 | 174 | -146.5 | 51.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1668 | T | 26.9 | Very low | 30.3 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 101.5 | 143.4 | 157.9 | 70.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1669 | S | 28.9 | Very low | 30.1 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 144.2 | 163.3 | 40.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1670 | S | 27.3 | Very low | 29.7 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -107.8 | -166.1 | 176.8 | -51 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1671 | P | 41.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | -127.4 | 177.1 | -78.6 | 39.1 | -23.9 | 0 | 0 | 0 | 113.1 | |||||
| 1672 | S | 28.4 | Very low | 29.3 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 155.7 | 158 | 132.3 | 57.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1673 | N | 30.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 64.1 | 109.9 | 149.4 | -71.7 | -1.1 | 0 | 0 | 0 | 123.7 | ||||
| 1674 | S | 30.7 | Very low | 28.9 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | 69.1 | 157 | 122.2 | 77.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1675 | N | 29.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | cis | -163.7 | 142.8 | -20.4 | -108.4 | -10.1 | 0 | 0 | 0 | 108.7 | ||||
| 1676 | H | 32.6 | Very low | 28.8 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | 175.8 | 115.6 | 140.6 | -98 | -75.8 | 0 | 0 | 0 | 106.7 | ||||
| 1677 | I | 29.9 | Very low | 28.6 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | 67.3 | 125.7 | 64.3 | -63.4 | 169.7 | 0 | 0 | 0 | 110.4 | |||||
| 1678 | Q | 28.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -179.2 | 175.2 | -15.8 | -120.6 | 169.2 | -24.4 | 0 | 0 | 105.3 | ||||
| 1679 | S | 29.1 | Very low | 28.7 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | cis | -151.4 | 149.3 | -6.9 | 53.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1680 | S | 26.4 | Very low | 28.6 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | cis | 59.4 | 147.1 | 49.6 | -172 | 0 | 0 | 0 | 0 | 114 | ||||
| 1681 | W | 25.6 | Very low | 28.8 | Very low | 243 Ų | 243 | 136.6 Ų | 136.6 | 92% | 0.92 | 76% | 0.755 | S | S | * | * | -153.2 | 129.3 | 129.2 | -105.6 | 28.3 | 0 | 0 | 0 | 109.1 | |||||
| 1682 | S | 24.2 | Very low | 28.1 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -146.1 | 151.5 | 167.6 | 58.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1683 | L | 24.7 | Very low | 28.1 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -129.7 | 114.1 | -163.1 | -147 | 165.9 | 0 | 0 | 0 | 112.1 | ||||
| 1684 | T | 26.4 | Very low | 27.9 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -143.9 | 149.3 | 169 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1685 | K | 26.6 | Very low | 27.9 | Very low | 208 Ų | 208 | 141.3 Ų | 141.3 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -164 | 155.8 | 168.2 | -106.2 | 177.3 | -177.5 | -178.8 | 0 | 107 | ||||
| 1686 | S | 28.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | cis | -145.4 | 176.2 | 8 | 43 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1687 | L | 26.4 | Very low | 27.3 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -150 | 139.1 | -167 | -165.7 | 165.1 | 0 | 0 | 0 | 111.8 | ||||
| 1688 | S | 29.1 | Very low | 27.1 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -169.4 | 147.9 | 168 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1689 | K | 27.8 | Very low | 26.9 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | cis | -169.7 | 149.5 | -7.9 | -118.8 | -177.4 | 144.9 | -70.7 | 0 | 109 | ||||
| 1690 | D | 27.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | 56.3 | 151.7 | 153 | -41.2 | -23.5 | 0 | 0 | 0 | 119 | ||||
| 1691 | S | 31.4 | Very low | 26.7 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -160.1 | 139.2 | -2.7 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1692 | D | 27.5 | Very low | 26.6 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 65.3 | 127.9 | 131.1 | -65.7 | 15.7 | 0 | 0 | 0 | 128 | ||||
| 1693 | N | 28.4 | Very low | 26.6 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | trans | 69.8 | 149.7 | 139.8 | -59.6 | -24.6 | 0 | 0 | 0 | 121.5 | ||||
| 1694 | H | 26.9 | Very low | 26.9 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | cis | -170.4 | 166.1 | -6.3 | -107 | 9.9 | 0 | 0 | 0 | 107.5 | ||||
| 1695 | H | 28.9 | Very low | 26.8 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | cis | -137.7 | 177.6 | -3.3 | -68.1 | -79.3 | 0 | 0 | 0 | 108.1 | ||||
| 1696 | L | 23.5 | Very low | 27 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | cis | 98.2 | 142.1 | 10.9 | -106.7 | 174.6 | 0 | 0 | 0 | 119.6 | ||||
| 1697 | V | 26 | Very low | 26.7 | Very low | 127 Ų | 127 | 143 Ų | 143 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 77.6 | 145.2 | 174.5 | -172.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1698 | T | 26.6 | Very low | 26.9 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | cis | -139.3 | 176.4 | 0.9 | 9.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1699 | M | 23.6 | Very low | 26.7 | Very low | 172 Ų | 172 | 140 Ų | 140 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | cis | 83.9 | 136.2 | 13.7 | -60.8 | -65.4 | -179.4 | 0 | 0 | 118.8 | ||||
| 1700 | S | 26.7 | Very low | 26.4 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -174.6 | 179.9 | -9.4 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1701 | R | 24.7 | Very low | 26.5 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | 96.1 | 148.2 | 167 | -62.1 | 179.2 | 177.8 | -167.9 | -2.4 | 118.7 | ||||
| 1702 | R | 24 | Very low | 26 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | cis | 99.4 | 140.9 | 16.8 | -77 | -169.2 | 150.2 | -119.7 | 5 | 115.9 | ||||
| 1703 | D | 24.4 | Very low | 25.9 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | cis | -159.4 | 154.5 | -0.7 | -79.5 | -47.1 | 0 | 0 | 0 | 112.6 | ||||
| 1704 | S | 30.1 | Very low | 25.7 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 162.6 | 146.2 | 159 | 38.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1705 | I | 25.6 | Very low | 25.8 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | cis | 91.8 | 114.8 | 28.7 | -58.1 | 165.9 | 0 | 0 | 0 | 112.1 | ||||
| 1706 | T | 29.5 | Very low | 25.5 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | -165.5 | 164.1 | 79.3 | -44.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1707 | I | 23.3 | Very low | 25.6 | Very low | 161 Ų | 161 | 141 Ų | 141 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -62.3 | 154.8 | -175.1 | -60.5 | 151.4 | 0 | 0 | 0 | 117.5 | ||||
| 1708 | G | 29.3 | Very low | 25.5 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -175.1 | 129.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1709 | N | 24.8 | Very low | 25.6 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -84.5 | 179.2 | 170.6 | -63.9 | 0.1 | 0 | 0 | 0 | 110.3 | ||||
| 1710 | E | 22.4 | Very low | 25.7 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -166.5 | 148.2 | 19.5 | -153.2 | 147.3 | -94.9 | 0 | 0 | 111.1 | ||||
| 1711 | F | 28.3 | Very low | 25.6 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 164.7 | 164.6 | 136.1 | -107 | -87.3 | 0 | 0 | 0 | 112.6 | ||||
| 1712 | Q | 22.5 | Very low | 25.7 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -112 | 140.5 | -167.3 | -58.1 | 171.6 | -3.6 | 0 | 0 | 113.3 | ||||
| 1713 | S | 24.8 | Very low | 25.8 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | -176 | 158.2 | 129.3 | 39.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1714 | S | 23 | Very low | 25.8 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -53.5 | 136.8 | -171.9 | 50.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1715 | T | 28.9 | Very low | 25.8 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | trans | -157.4 | 145.3 | 130.2 | 7.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1716 | A | 23.1 | Very low | 25.9 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -108.1 | 126.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1717 | S | 26.7 | Very low | 25.7 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -142.8 | 123.2 | 160 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1718 | S | 24.3 | Very low | 25.8 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -99.5 | 97.6 | -172.6 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1719 | N | 27.2 | Very low | 25.9 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -74.1 | 136.4 | 172.8 | -83 | -34.6 | 0 | 0 | 0 | 111.4 | V1721 | N1719-V1721 PolarHBondContact O-N 2.94Š| ||
| 1720 | M | 25.3 | Very low | 26.1 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 44% | 0.438 | 74% | 0.738 | S | S | . | * | trans | -85.3 | 100.2 | -161.5 | -174.5 | -169.7 | -62.5 | 0 | 0 | 112.7 | V1722 D1811 T1813 | M1720-V1722 HydrophobicContact CG-CG2 4.32Å; M1720-D1811 HydrophobicContact CE-CB 4.4Å; M1720-D1811 VanDerWaalsContact CE-OD1 3.24Å; M1720-D1811 WeakPolarHBondContact CE-OD1 3.34Å; M1720-D1811 VanDerWaalsContact CE-OD2 3.31Å; M1720-D1811 WeakPolarHBondContact CE-OD2 3.43Å; M1720-T1813 HydrophobicContact CG-CG2 3.83Å | ||
| 1721 | V | 24.6 | Very low | 26.3 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | -88.8 | 111.2 | 173.8 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | N1719 M1723 | N1719-V1721 PolarHBondContact O-N 2.94Å; V1721-M1723 HydrophobicContact CG1-CG 4.49Å; V1721-M1723 PolarHBondContact O-N 2.86Å | ||
| 1722 | V | 28.3 | Very low | 26.4 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | trans | -90.8 | 94.5 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | M1720 | M1720-V1722 HydrophobicContact CG-CG2 4.32Š| ||
| 1723 | M | 24.9 | Very low | 26.8 | Very low | 135 Ų | 135 | 119 Ų | 119 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | trans | -110.8 | 145.3 | 160.8 | -84.4 | -171 | 169.4 | 0 | 0 | 110.5 | V1721 | V1721-M1723 HydrophobicContact CG1-CG 4.49Å; V1721-M1723 PolarHBondContact O-N 2.86Å | ||
| 1724 | M | 25.1 | Very low | 27.1 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 49% | 0.493 | 73% | 0.725 | S | S | . | * | trans | 168.7 | 134.2 | 148 | -80.7 | -103.2 | -161.9 | 0 | 0 | 105.7 | K1857 | M1724-K1857 HydrophobicContact CE-CG 4.37Å; M1724-K1857 WeakPolarHBondContact CE-O 3.38Å | ||
| 1725 | T | 30 | Very low | 27.2 | Very low | 85 Ų | 85 | 120.7 Ų | 120.7 | 52% | 0.521 | 73% | 0.725 | S | S | . | * | S | Bend | cis | -135.5 | 164 | 24 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | I1858 | T1725-I1858 HydrophobicContact CG2-CG2 4.49Å; T1725-I1858 WeakPolarHBondContact CG2-O 3.16Å |
| 1726 | N | 26.9 | Very low | 27.1 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | 81.5 | 142.3 | 174.8 | -114.2 | 7.7 | 0 | 0 | 0 | 116.4 | I1728 | N1726-I1728 PolarHBondContact O-N 2.84Š| ||
| 1727 | P | 26.6 | Very low | 27.2 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -93 | 13.5 | -163.5 | 37.7 | -37.6 | 0 | 0 | 0 | 115.2 | ||
| 1728 | I | 25.8 | Very low | 27.1 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -133.7 | 117.7 | -177.6 | -63.8 | 177.7 | 0 | 0 | 0 | 108.6 | N1726 | N1726-I1728 PolarHBondContact O-N 2.84Š|
| 1729 | V | 29.8 | Very low | 27.1 | Very low | 139 Ų | 139 | 119 Ų | 119 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | trans | 64 | 105.6 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1730 | A | 29.4 | Very low | 27.1 | Very low | 79 Ų | 79 | 118.2 Ų | 118.2 | 65% | 0.653 | 72% | 0.719 | S | S | * | * | trans | -161.8 | 123.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1731 | T | 25.8 | Very low | 27.3 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | trans | -97 | 157.1 | 159.5 | 35.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1732 | P | 31.9 | Very low | 27.6 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -77.6 | 144 | -171.9 | 30.7 | -35.5 | 0 | 0 | 0 | 113.5 | ||||
| 1733 | V | 29.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | trans | -121.8 | 155.4 | 159.5 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1734 | F | 32.2 | Very low | 27.5 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | 71.3 | 71.6 | -171.8 | -44.2 | -67.2 | 0 | 0 | 0 | 114.8 | Q1768 | F1734-Q1768 HydrophobicContact CE1-CB 4.02Š| ||
| 1735 | S | 24.6 | Very low | 27.6 | Very low | 113 Ų | 113 | 120 Ų | 120 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -90.7 | 145.9 | 139.8 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1736 | S | 27.8 | Very low | 27.3 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -129.7 | 121.2 | 160 | 57.6 | 0 | 0 | 0 | 0 | 106.6 | A1738 | S1736-A1738 PolarHBondContact O-N 3.43Š| ||
| 1737 | N | 23.8 | Very low | 27.4 | Very low | 169 Ų | 169 | 118 Ų | 118 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -62.7 | 104.6 | -173.4 | -75.8 | -10.9 | 0 | 0 | 0 | 111.5 | ||||
| 1738 | A | 25.6 | Very low | 27.4 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -120.7 | 70.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S1736 V1740 | S1736-A1738 PolarHBondContact O-N 3.43Å; A1738-V1740 PolarHBondContact O-N 3.11Å; A1738-V1740 VanDerWaalsContact O-N 3.16Å | ||
| 1739 | G | 24.8 | Very low | 27.5 | Very low | 80 Ų | 80 | 117 Ų | 117 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -74.6 | 100.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1740 | V | 27.2 | Very low | 27.4 | Very low | 136 Ų | 136 | 114.7 Ų | 114.7 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -121.2 | 79.4 | 167.7 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | A1738 | A1738-V1740 PolarHBondContact O-N 3.11Å; A1738-V1740 VanDerWaalsContact O-N 3.16Å | ||
| 1741 | S | 29.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 123.2 | 164.9 | 50 | 0 | 0 | 0 | 0 | 109 | ||
| 1742 | G | 29.2 | Very low | 27.6 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 152.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1743 | S | 26 | Very low | 27.3 | Very low | 113 Ų | 113 | 116 Ų | 116 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 131.4 | 176.4 | 54 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1744 | N | 26.1 | Very low | 27.3 | Very low | 143 Ų | 143 | 116.9 Ų | 116.9 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | -162.1 | 141.4 | 126.7 | -102.6 | -18.6 | 0 | 0 | 0 | 112.8 | |||||
| 1745 | T | 26.3 | Very low | 26.9 | Very low | 138 Ų | 138 | 116 Ų | 116 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | 47.9 | 116.2 | 155.3 | 57.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1746 | G | 25.1 | Very low | 27 | Very low | 70 Ų | 70 | 113.6 Ų | 113.6 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 132.9 | 85.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1747 | T | 28.7 | Very low | 26.9 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 37.1 | 119.9 | 141.2 | 56.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1748 | N | 26.4 | Very low | 26.9 | Very low | 154 Ų | 154 | 115.3 Ų | 115.3 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | 51.8 | 140.4 | 131.8 | -60.9 | -1.8 | 0 | 0 | 0 | 121.4 | ||||
| 1749 | S | 27.7 | Very low | 26.9 | Very low | 90 Ų | 90 | 114 Ų | 114 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | cis | -172.6 | 138.4 | -4.3 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1750 | N | 28.6 | Very low | 27 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 48% | 0.481 | 75% | 0.748 | S | S | . | * | trans | 53.2 | 110.9 | 135.4 | -56.8 | -35 | 0 | 0 | 0 | 123.9 | N585 | N585-N1750 VanDerWaalsContact CG-ND2 3.27Å; N585-N1750 PolarHBondContact ND2-OD1 3.48Å; N585-N1750 VanDerWaalsContact OD1-CG 3.26Å; N585-N1750 PolarHBondContact OD1-ND2 3.28Å; N585-N1750 PolarHBondContact OD1-OD1 3.36Å | ||
| 1751 | R | 28.9 | Very low | 27 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 60% | 0.6 | 75% | 0.754 | S | S | * | * | 164.8 | 150.9 | 123.9 | -92.6 | 174.8 | 178.5 | 176.5 | 2.6 | 109.5 | Y589 | Y589-R1751 PolarHBondContact OH-NH1 2.84Š| |||
| 1752 | S | 29.4 | Very low | 26.7 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | cis | -159.1 | 157.7 | -7.2 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1753 | A | 25.9 | Very low | 26.6 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -87 | 160.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1754 | T | 28.7 | Very low | 26.5 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -153.1 | 102.5 | 159.2 | -2.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1755 | T | 25.3 | Very low | 26.4 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | trans | 33.6 | 126.9 | 137.3 | 58.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1756 | G | 26.2 | Very low | 26.4 | Very low | 64 Ų | 64 | 118.8 Ų | 118.8 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | trans | 168 | 89.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1757 | Y | 25.6 | Very low | 26.6 | Very low | 239 Ų | 239 | 122.2 Ų | 122.2 | 94% | 0.937 | 75% | 0.748 | S | S | * | * | trans | 57.5 | 166.9 | 160 | -68.6 | -92.4 | 0 | 0 | 0 | 117.5 | ||||
| 1758 | G | 23.6 | Very low | 27 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | cis | 118.2 | 70.7 | -6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1759 | G | 24.8 | Very low | 28.1 | Very low | 62 Ų | 62 | 123.5 Ų | 123.5 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | -173.2 | 121.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1760 | T | 26.9 | Very low | 29.9 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 21.5 | 110.6 | 136.1 | 54.5 | 0 | 0 | 0 | 0 | 119 | S1762 | T1760-S1762 PolarHBondContact O-N 3.5Š| ||
| 1761 | D | 26.7 | Very low | 32.1 | Very low | 176 Ų | 176 | 120.1 Ų | 120.1 | 94% | 0.941 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -71.6 | 65.6 | 161.4 | -75.6 | -45 | 0 | 0 | 0 | 111.3 | ||
| 1762 | S | 25.1 | Very low | 34.5 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | trans | -134 | 38.7 | 178.6 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | T1760 V1764 | T1760-S1762 PolarHBondContact O-N 3.5Å; S1762-V1764 VanDerWaalsContact C-N 3.35Å; S1762-V1764 PolarHBondContact O-N 3.23Å; S1762-V1764 VanDerWaalsContact O-N 3.14Å | ||
| 1763 | S | 26.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | trans | -85.9 | 68.5 | 179 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | L1765 | S1763-L1765 PolarHBondContact O-N 3.28Š| ||
| 1764 | V | 24.5 | Very low | 39.7 | Very low | 148 Ų | 148 | 106.5 Ų | 106.5 | 90% | 0.897 | 64% | 0.639 | S | S | * | * | trans | -72.8 | 71.2 | 163.2 | -175 | 0 | 0 | 0 | 0 | 108.7 | S1762 | S1762-V1764 VanDerWaalsContact C-N 3.35Å; S1762-V1764 PolarHBondContact O-N 3.23Å; S1762-V1764 VanDerWaalsContact O-N 3.14Å | ||
| 1765 | L | 23.9 | Very low | 42.3 | Very low | 150 Ų | 150 | 105 Ų | 105 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | trans | -139.7 | 140.8 | 179.4 | -97.3 | 160.2 | 0 | 0 | 0 | 109.7 | S1763 N1767 | S1763-L1765 PolarHBondContact O-N 3.28Å; L1765-N1767 PolarHBondContact O-N 3.37Å | ||
| 1766 | S | 25.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 98.8 Ų | 98.8 | 84% | 0.839 | 58% | 0.584 | S | S | * | * | trans | -79.7 | 79.6 | -156.4 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1767 | N | 28.2 | Very low | 48 | Very low | 141 Ų | 141 | 100.8 Ų | 100.8 | 75% | 0.754 | 57% | 0.571 | S | S | * | * | trans | -83.6 | 124.9 | 155 | -85.4 | -33.7 | 0 | 0 | 0 | 109.7 | L1765 Q1769 | L1765-N1767 PolarHBondContact O-N 3.37Å; N1767-Q1769 VanDerWaalsContact C-N 3.3Å; N1767-Q1769 PolarHBondContact O-N 3.2Å | ||
| 1768 | Q | 38 | Very low | 50.8 | Low | 143 Ų | 143 | 94 Ų | 94 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | trans | -71.2 | 86.4 | 170.8 | -73.8 | -177.8 | -15.3 | 0 | 0 | 109.6 | F1734 | F1734-Q1768 HydrophobicContact CE1-CB 4.02Š| ||
| 1769 | Q | 50 | Low | 53.8 | Low | 164 Ų | 164 | 91 Ų | 91 | 77% | 0.766 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 137.9 | 178.5 | -67.9 | -175.7 | -8.2 | 0 | 0 | 111.1 | N1767 | N1767-Q1769 VanDerWaalsContact C-N 3.3Å; N1767-Q1769 PolarHBondContact O-N 3.2Å |
| 1770 | C | 64 | Low | 56.9 | Low | 85 Ų | 85 | 88.1 Ų | 88.1 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 127.5 | 172.5 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1771 | P | 75.1 | Confident | 59.9 | Low | 25 Ų | 25 | 84 Ų | 84 | 16% | 0.162 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 149.4 | -173.3 | -25.6 | 32.3 | 0 | 0 | 0 | 114.1 | F1646 M1773 F1774 K1775 | F1646-P1771 HydrophobicContact CB-CG 4.47Å; F1646-P1771 HydrophobicContact CD1-CB 4.16Å; F1646-P1771 HydrophobicContact CD1-CG 3.49Å; F1646-P1771 VanDerWaalsContact CD1-CG 3.49Å; F1646-P1771 HydrophobicContact CD2-CB 3.72Å; F1646-P1771 HydrophobicContact CD2-CG 3.86Å; F1646-P1771 HydrophobicContact CE1-CB 3.96Å; F1646-P1771 HydrophobicContact CE1-CG 3.57Å; F1646-P1771 HydrophobicContact CE2-CB 3.47Å; F1646-P1771 VanDerWaalsContact CE2-CB 3.47Å; F1646-P1771 HydrophobicContact CE2-CG 3.92Å; F1646-P1771 HydrophobicContact CG-CB 4.08Å; F1646-P1771 HydrophobicContact CG-CG 3.66Å; F1646-P1771 HydrophobicContact CZ-CB 3.62Å; F1646-P1771 HydrophobicContact CZ-CG 3.81Å; P1771-M1773 VanDerWaalsContact C-N 3.28Å; P1771-M1773 PolarHBondContact O-N 2.85Å; P1771-M1773 VanDerWaalsContact O-N 3.13Å; P1771-F1774 HydrophobicContact CB-CD2 3.92Å; P1771-F1774 HydrophobicContact CG-CD2 3.9Å; P1771-F1774 HydrophobicContact CG-CE2 4.34Å; P1771-F1774 PolarHBondContact O-N 3.42Å; P1771-K1775 PolarHBondContact O-N 3.29Å; P1771-K1775 VanDerWaalsContact O-N 3.08Å |
| 1772 | P | 79.1 | Confident | 62.9 | Low | 27 Ų | 27 | 79.3 Ų | 79.3 | 18% | 0.175 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -52.9 | -41.4 | -172.3 | -29.1 | 36 | 0 | 0 | 0 | 114.5 | N1588 L1591 L1592 F1774 K1775 A1776 | N1588-P1772 HydrophobicContact CB-CG 4.32Å; N1588-P1772 VanDerWaalsContact O-CB 3.31Å; N1588-P1772 WeakPolarHBondContact O-CB 3.49Å; L1591-P1772 HydrophobicContact CB-CB 4Å; L1592-P1772 HydrophobicContact CB-CB 4.18Å; L1592-P1772 HydrophobicContact CB-CG 4.43Å; P1772-F1774 PolarHBondContact O-N 2.8Å; P1772-K1775 PolarHBondContact O-N 2.85Å; P1772-A1776 WeakPolarHBondContact O-CB 3.45Å; P1772-A1776 PolarHBondContact O-N 2.85Å |
| 1773 | M | 84.2 | Confident | 66.1 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 176.7 | -177.9 | -167.8 | 75.7 | 0 | 0 | 113.6 | L1591 L1639 V1643 P1771 A1776 R1777 V1780 | L1591-M1773 HydrophobicContact CD1-CB 4.12Å; L1639-M1773 HydrophobicContact CD2-CG 4.18Å; L1639-M1773 HydrophobicContact CD2-SD 4.22Å; V1643-M1773 HydrophobicContact CB-CE 4.42Å; V1643-M1773 HydrophobicContact CG2-CE 3.47Å; V1643-M1773 VanDerWaalsContact CG2-CE 3.47Å; V1643-M1773 HydrophobicContact CG2-SD 3.72Å; P1771-M1773 VanDerWaalsContact C-N 3.28Å; P1771-M1773 PolarHBondContact O-N 2.85Å; P1771-M1773 VanDerWaalsContact O-N 3.13Å; M1773-A1776 CarbonylContact O-C 3.58Å; M1773-A1776 PolarHBondContact O-N 3.07Å; M1773-R1777 WeakPolarHBondContact O-CA 3.29Å; M1773-R1777 PolarHBondContact O-N 3.25Å; M1773-R1777 VanDerWaalsContact O-N 3.1Å; M1773-V1780 HydrophobicContact CG-CG2 4.32Å |
| 1774 | F | 81.8 | Confident | 69.2 | Low | 52 Ų | 52 | 70.5 Ų | 70.5 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.9 | -31.5 | 177 | -65.6 | -67.6 | 0 | 0 | 0 | 111.8 | F1646 P1771 P1772 A1776 R1777 A1808 | F1646-F1774 HydrophobicContact CB-CE2 4.05Å; P1771-F1774 HydrophobicContact CB-CD2 3.92Å; P1771-F1774 HydrophobicContact CG-CD2 3.9Å; P1771-F1774 HydrophobicContact CG-CE2 4.34Å; P1771-F1774 PolarHBondContact O-N 3.42Å; P1772-F1774 PolarHBondContact O-N 2.8Å; F1774-A1776 VanDerWaalsContact C-N 3.32Å; F1774-R1777 WeakPolarHBondContact O-CB 3.27Å; F1774-A1808 HydrophobicContact CE1-CB 4.32Å |
| 1775 | K | 81.3 | Confident | 72.5 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 171.7 | -154.1 | -162.6 | 178.9 | -142.2 | 0 | 112.1 | L1592 A1595 D1596 P1771 P1772 | L1592-K1775 HydrophobicContact CD1-CD 4.49Å; A1595-K1775 HydrophobicContact CB-CB 4.08Å; A1595-K1775 HydrophobicContact CB-CD 3.71Å; A1595-K1775 HydrophobicContact CB-CG 3.87Å; D1596-K1775 IonicContact OD1-NZ 3.82Å; D1596-K1775 PolarHBondContact OD1-NZ 2.84Å; D1596-K1775 IonicContact OD2-NZ 2.81Å; P1771-K1775 PolarHBondContact O-N 3.29Å; P1771-K1775 VanDerWaalsContact O-N 3.08Å; P1772-K1775 PolarHBondContact O-N 2.85Å |
| 1776 | A | 84.7 | Confident | 75.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 18.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1591 A1595 P1772 M1773 F1774 E1778 E1779 V1780 | L1591-A1776 HydrophobicContact CB-CB 4.08Å; L1591-A1776 HydrophobicContact CD2-CB 3.77Å; A1595-A1776 HydrophobicContact CB-CB 4Å; P1772-A1776 WeakPolarHBondContact O-CB 3.45Å; P1772-A1776 PolarHBondContact O-N 2.85Å; M1773-A1776 CarbonylContact O-C 3.58Å; M1773-A1776 PolarHBondContact O-N 3.07Å; F1774-A1776 VanDerWaalsContact C-N 3.32Å; A1776-E1778 PolarHBondContact O-N 3.02Å; A1776-E1779 PolarHBondContact O-N 3.12Å; A1776-E1779 VanDerWaalsContact O-N 3.08Å; A1776-V1780 PolarHBondContact O-N 3.39Å; A1776-V1780 VanDerWaalsContact O-N 3.11Å |
| 1777 | R | 87.6 | Confident | 78.8 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -52.3 | -34 | -169.5 | 69 | -174.4 | -176.2 | -170.4 | -2.2 | 115 | M1773 F1774 V1780 L1781 C1809 | M1773-R1777 WeakPolarHBondContact O-CA 3.29Å; M1773-R1777 PolarHBondContact O-N 3.25Å; M1773-R1777 VanDerWaalsContact O-N 3.1Å; F1774-R1777 WeakPolarHBondContact O-CB 3.27Å; R1777-V1780 PolarHBondContact O-N 3.2Å; R1777-L1781 WeakPolarHBondContact O-CG 3.35Å; R1777-L1781 PolarHBondContact O-N 3.42Å; R1777-C1809 HydrophobicContact CB-CB 4.02Å |
| 1778 | E | 84.8 | Confident | 81.9 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 46% | 0.458 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.1 | -36.2 | -177 | -79 | 147.1 | -139.3 | 0 | 0 | 111.7 | A1776 R1782 | A1776-E1778 PolarHBondContact O-N 3.02Å; E1778-R1782 WeakPolarHBondContact O-CG 3.08Å; E1778-R1782 PolarHBondContact O-N 3.45Å; E1778-R1782 VanDerWaalsContact O-N 3.11Å |
| 1779 | E | 85.9 | Confident | 84.3 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.8 | -31.9 | 170.4 | -76.8 | -66.2 | 161.2 | 0 | 0 | 112.3 | R1621 W1625 A1776 R1782 L1783 | R1621-E1779 WeakPolarHBondContact CD-OE1 3.21Å; R1621-E1779 WeakPolarHBondContact CD-OE2 3.22Å; R1621-E1779 IonicContact CZ-OE1 3.2Å; R1621-E1779 IonicContact NE-OE1 3.2Å; R1621-E1779 IonicContact NH1-OE1 3.38Å; R1621-E1779 PolarHBondContact NH1-OE1 2.79Å; W1625-E1779 PolarHBondContact NE1-OE2 3.33Å; W1625-E1779 VanDerWaalsContact NE1-OE2 3.12Å; A1776-E1779 PolarHBondContact O-N 3.12Å; A1776-E1779 VanDerWaalsContact O-N 3.08Å; E1779-R1782 PolarHBondContact O-N 2.57Å; E1779-R1782 IonicContact OE1-NH1 2.8Å; E1779-R1782 PolarHBondContact OE1-NH1 3.07Å; E1779-L1783 WeakPolarHBondContact O-CB 3.43Å; E1779-L1783 PolarHBondContact O-N 3.04Å |
| 1780 | V | 90.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 171.3 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | L1591 L1639 M1773 A1776 R1777 L1783 F1784 V1805 | L1591-V1780 HydrophobicContact CD2-CG2 3.59Å; L1639-V1780 HydrophobicContact CD1-CG1 4.24Å; M1773-V1780 HydrophobicContact CG-CG2 4.32Å; A1776-V1780 PolarHBondContact O-N 3.39Å; A1776-V1780 VanDerWaalsContact O-N 3.11Å; R1777-V1780 PolarHBondContact O-N 3.2Å; V1780-L1783 PolarHBondContact O-N 3.01Å; V1780-F1784 HydrophobicContact CG1-CD2 3.92Å; V1780-F1784 HydrophobicContact CG1-CE2 3.82Å; V1780-F1784 VanDerWaalsContact O-CD2 3.3Å; V1780-F1784 WeakPolarHBondContact O-CD2 3.48Å; V1780-F1784 PolarHBondContact O-N 3.33Å; V1780-F1784 VanDerWaalsContact O-N 3.13Å; V1780-V1805 HydrophobicContact CG1-CG1 3.86Å |
| 1781 | L | 90.6 | Very high | 87.3 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.4 | -71.6 | 169.1 | 0 | 0 | 0 | 111.9 | R1777 L1783 F1784 E1785 I1806 C1809 F1824 | R1777-L1781 WeakPolarHBondContact O-CG 3.35Å; R1777-L1781 PolarHBondContact O-N 3.42Å; L1781-L1783 VanDerWaalsContact C-N 3.33Å; L1781-L1783 PolarHBondContact O-N 2.81Å; L1781-F1784 PolarHBondContact O-N 2.84Å; L1781-E1785 WeakPolarHBondContact O-CB 3.26Å; L1781-E1785 PolarHBondContact O-N 3.22Å; L1781-I1806 HydrophobicContact CD2-CB 4.41Å; L1781-I1806 HydrophobicContact CD2-CG1 4.41Å; L1781-I1806 HydrophobicContact CD2-CG2 4.08Å; L1781-C1809 HydrophobicContact CD1-CB 4.25Å; L1781-C1809 HydrophobicContact CD2-CB 3.92Å; L1781-C1809 HydrophobicContact CG-CB 3.85Å; L1781-F1824 HydrophobicContact CB-CE2 4.21Å; L1781-F1824 HydrophobicContact CD2-CD2 3.98Å; L1781-F1824 HydrophobicContact CD2-CE2 3.78Å; L1781-F1824 WeakPolarHBondContact O-CE2 3.11Å |
| 1782 | R | 89.8 | Confident | 87.8 | Confident | 78 Ų | 78 | 48.2 Ų | 48.2 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 174.2 | -76.1 | -176.5 | -178.7 | 123.6 | 12 | 113.1 | E1598 W1625 E1778 E1779 E1785 Q1786 | E1598-R1782 VanDerWaalsContact CD-NH1 3.34Å; E1598-R1782 IonicContact OE1-CZ 3.16Å; E1598-R1782 IonicContact OE1-NH1 2.74Å; E1598-R1782 IonicContact OE1-NH2 3.92Å; E1598-R1782 PolarHBondContact OE1-NH2 2.88Å; E1598-R1782 IonicContact OE2-CZ 2.79Å; E1598-R1782 IonicContact OE2-NH1 3.91Å; E1598-R1782 PolarHBondContact OE2-NH1 3.47Å; E1598-R1782 IonicContact OE2-NH2 3.23Å; E1598-R1782 PolarHBondContact OE2-NH2 2.82Å; W1625-R1782 HydrophobicContact CZ2-CB 4.01Å; E1778-R1782 WeakPolarHBondContact O-CG 3.08Å; E1778-R1782 PolarHBondContact O-N 3.45Å; E1778-R1782 VanDerWaalsContact O-N 3.11Å; E1779-R1782 PolarHBondContact O-N 2.57Å; E1779-R1782 IonicContact OE1-NH1 2.8Å; E1779-R1782 PolarHBondContact OE1-NH1 3.07Å; R1782-E1785 PolarHBondContact O-N 3.11Å; R1782-Q1786 WeakPolarHBondContact O-CG 3.19Å; R1782-Q1786 PolarHBondContact O-N 3.2Å |
| 1783 | L | 91.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 178.9 | -178.4 | 60.7 | 0 | 0 | 0 | 110.8 | L1624 W1625 I1635 E1779 V1780 L1781 E1785 L1787 | L1624-L1783 HydrophobicContact CG-CD2 4.42Å; W1625-L1783 HydrophobicContact CG-CD1 4.23Å; I1635-L1783 HydrophobicContact CD1-CD2 3.76Å; I1635-L1783 HydrophobicContact CG1-CD2 4.37Å; E1779-L1783 WeakPolarHBondContact O-CB 3.43Å; E1779-L1783 PolarHBondContact O-N 3.04Å; V1780-L1783 PolarHBondContact O-N 3.01Å; L1781-L1783 VanDerWaalsContact C-N 3.33Å; L1781-L1783 PolarHBondContact O-N 2.81Å; L1783-E1785 PolarHBondContact O-N 2.83Å; L1783-L1787 HydrophobicContact CD1-CD1 4.27Å; L1783-L1787 HydrophobicContact CD1-CG 4.4Å; L1783-L1787 HydrophobicContact CG-CD1 4.05Å; L1783-L1787 WeakPolarHBondContact O-CB 3.38Å; L1783-L1787 VanDerWaalsContact O-CG 3.23Å; L1783-L1787 WeakPolarHBondContact O-CG 3.48Å; L1783-L1787 PolarHBondContact O-N 2.81Å |
| 1784 | F | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | 175.5 | -78.4 | -68.1 | 0 | 0 | 0 | 113.1 | T1636 L1639 V1780 L1781 L1787 C1788 V1802 V1805 I1806 F1824 | T1636-F1784 HydrophobicContact CG2-CE1 4.29Å; T1636-F1784 WeakPolarHBondContact OG1-CE1 3.41Å; L1639-F1784 HydrophobicContact CD1-CE2 3.7Å; L1639-F1784 HydrophobicContact CD1-CZ 3.88Å; V1780-F1784 HydrophobicContact CG1-CD2 3.92Å; V1780-F1784 HydrophobicContact CG1-CE2 3.82Å; V1780-F1784 VanDerWaalsContact O-CD2 3.3Å; V1780-F1784 WeakPolarHBondContact O-CD2 3.48Å; V1780-F1784 PolarHBondContact O-N 3.33Å; V1780-F1784 VanDerWaalsContact O-N 3.13Å; L1781-F1784 PolarHBondContact O-N 2.84Å; F1784-L1787 PolarHBondContact O-N 2.84Å; F1784-C1788 WeakPolarHBondContact O-CB 3.35Å; F1784-C1788 PolarHBondContact O-N 3.19Å; F1784-C1788 PolarHBondContact O-SG 2.83Å; F1784-C1788 VanDerWaalsContact O-SG 3.33Å; F1784-V1802 HydrophobicContact CD1-CB 4.46Å; F1784-V1802 HydrophobicContact CD1-CG1 3.89Å; F1784-V1802 HydrophobicContact CD1-CG2 4.04Å; F1784-V1802 HydrophobicContact CE1-CG1 4.41Å; F1784-V1802 HydrophobicContact CE1-CG2 3.87Å; F1784-V1802 HydrophobicContact CG-CG1 4.47Å; F1784-V1805 HydrophobicContact CD2-CG1 4.26Å; F1784-V1805 HydrophobicContact CE2-CB 4.05Å; F1784-V1805 HydrophobicContact CE2-CG1 3.56Å; F1784-V1805 HydrophobicContact CZ-CB 4.35Å; F1784-V1805 HydrophobicContact CZ-CG1 4.25Å; F1784-I1806 HydrophobicContact CB-CD1 4.47Å; F1784-I1806 HydrophobicContact CB-CG1 4.38Å; F1784-F1824 HydrophobicContact CB-CE2 4.48Å; F1784-F1824 HydrophobicContact CB-CZ 3.69Å |
| 1785 | E | 93.1 | Very high | 88.5 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 178.2 | -179.1 | -174.4 | -138.1 | 0 | 0 | 110.1 | L1781 R1782 L1783 L1787 C1788 I1789 F1824 A1826 | L1781-E1785 WeakPolarHBondContact O-CB 3.26Å; L1781-E1785 PolarHBondContact O-N 3.22Å; R1782-E1785 PolarHBondContact O-N 3.11Å; L1783-E1785 PolarHBondContact O-N 2.83Å; E1785-L1787 VanDerWaalsContact C-N 3.35Å; E1785-L1787 PolarHBondContact O-N 2.75Å; E1785-C1788 PolarHBondContact O-N 2.81Å; E1785-I1789 HydrophobicContact CG-CD1 4Å; E1785-I1789 WeakPolarHBondContact O-CD1 3.39Å; E1785-I1789 VanDerWaalsContact O-CG1 3.28Å; E1785-I1789 WeakPolarHBondContact O-CG1 3.39Å; E1785-I1789 PolarHBondContact O-N 2.81Å; E1785-I1789 VanDerWaalsContact O-N 3.07Å; E1785-F1824 HydrophobicContact CB-CE1 4.44Å; E1785-F1824 HydrophobicContact CB-CE2 4.42Å; E1785-F1824 HydrophobicContact CB-CZ 3.94Å; E1785-F1824 VanDerWaalsContact N-CZ 3.35Å; E1785-A1826 HydrophobicContact CG-CB 4.11Å |
| 1786 | Q | 92.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.7 | -29.8 | 178.2 | -63 | -64.3 | -54.8 | 0 | 0 | 112.7 | W1625 F1629 R1782 R1790 | W1625-Q1786 HydrophobicContact CH2-CG 4.03Å; W1625-Q1786 HydrophobicContact CZ3-CG 4.09Å; F1629-Q1786 HydrophobicContact CZ-CB 3.89Å; R1782-Q1786 WeakPolarHBondContact O-CG 3.19Å; R1782-Q1786 PolarHBondContact O-N 3.2Å; Q1786-R1790 VanDerWaalsContact O-CB 3.24Å; Q1786-R1790 WeakPolarHBondContact O-CB 3.34Å; Q1786-R1790 VanDerWaalsContact O-CG 3.28Å; Q1786-R1790 WeakPolarHBondContact O-CG 3.48Å; Q1786-R1790 PolarHBondContact O-N 2.81Å |
| 1787 | L | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.9 | -43.7 | 172.5 | -76 | 173.9 | 0 | 0 | 0 | 112.4 | F1629 P1632 I1635 L1783 F1784 E1785 I1789 R1791 I1795 | F1629-L1787 HydrophobicContact CD1-CD2 3.72Å; F1629-L1787 HydrophobicContact CE1-CD2 3.72Å; F1629-L1787 HydrophobicContact CE1-CG 4.44Å; F1629-L1787 HydrophobicContact CG-CD2 4.3Å; F1629-L1787 HydrophobicContact CZ-CD2 4.31Å; P1632-L1787 HydrophobicContact CB-CD1 4.49Å; P1632-L1787 HydrophobicContact CB-CD2 4.03Å; P1632-L1787 HydrophobicContact CG-CD2 3.88Å; I1635-L1787 HydrophobicContact CG2-CD1 4.29Å; L1783-L1787 HydrophobicContact CD1-CD1 4.27Å; L1783-L1787 HydrophobicContact CD1-CG 4.4Å; L1783-L1787 HydrophobicContact CG-CD1 4.05Å; L1783-L1787 WeakPolarHBondContact O-CB 3.38Å; L1783-L1787 VanDerWaalsContact O-CG 3.23Å; L1783-L1787 WeakPolarHBondContact O-CG 3.48Å; L1783-L1787 PolarHBondContact O-N 2.81Å; F1784-L1787 PolarHBondContact O-N 2.84Å; E1785-L1787 VanDerWaalsContact C-N 3.35Å; E1785-L1787 PolarHBondContact O-N 2.75Å; L1787-I1789 VanDerWaalsContact C-N 3.31Å; L1787-I1789 PolarHBondContact O-N 3.05Å; L1787-R1791 CarbonylContact O-C 3.48Å; L1787-R1791 VanDerWaalsContact O-C 3.31Å; L1787-R1791 VanDerWaalsContact O-CA 3.31Å; L1787-R1791 WeakPolarHBondContact O-CA 3.43Å; L1787-R1791 PolarHBondContact O-N 2.89Å; L1787-I1795 HydrophobicContact CB-CD1 4.04Å; L1787-I1795 HydrophobicContact CB-CG1 4.21Å |
| 1788 | C | 91.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.4 | -77 | 0 | 0 | 0 | 0 | 111.7 | F1784 E1785 A1826 F1830 | F1784-C1788 WeakPolarHBondContact O-CB 3.35Å; F1784-C1788 PolarHBondContact O-N 3.19Å; F1784-C1788 PolarHBondContact O-SG 2.83Å; F1784-C1788 VanDerWaalsContact O-SG 3.33Å; E1785-C1788 PolarHBondContact O-N 2.81Å; C1788-A1826 HydrophobicContact CB-CB 3.84Å; C1788-A1826 WeakPolarHBondContact CB-O 3.26Å; C1788-F1830 HydrophobicContact CB-CE2 3.94Å; C1788-F1830 HydrophobicContact CB-CZ 4.39Å |
| 1789 | I | 89.7 | Confident | 89 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 52% | 0.523 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.5 | -46.2 | -179.9 | -66.5 | 166.2 | 0 | 0 | 0 | 112.1 | E1785 L1787 A1826 | E1785-I1789 HydrophobicContact CG-CD1 4Å; E1785-I1789 WeakPolarHBondContact O-CD1 3.39Å; E1785-I1789 VanDerWaalsContact O-CG1 3.28Å; E1785-I1789 WeakPolarHBondContact O-CG1 3.39Å; E1785-I1789 PolarHBondContact O-N 2.81Å; E1785-I1789 VanDerWaalsContact O-N 3.07Å; L1787-I1789 VanDerWaalsContact C-N 3.31Å; L1787-I1789 PolarHBondContact O-N 3.05Å; I1789-A1826 HydrophobicContact CD1-CB 4.42Å; I1789-A1826 HydrophobicContact CG1-CB 4.14Å |
| 1790 | R | 88.6 | Confident | 89.2 | Confident | 140 Ų | 140 | 44.6 Ų | 44.6 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -97.2 | -17.3 | -169.8 | -56.5 | 179.4 | -170.2 | -144 | 2 | 114.7 | F1629 Q1786 P1792 | F1629-R1790 HydrophobicContact CE1-CB 4.09Å; Q1786-R1790 VanDerWaalsContact O-CB 3.24Å; Q1786-R1790 WeakPolarHBondContact O-CB 3.34Å; Q1786-R1790 VanDerWaalsContact O-CG 3.28Å; Q1786-R1790 WeakPolarHBondContact O-CG 3.48Å; Q1786-R1790 PolarHBondContact O-N 2.81Å; R1790-P1792 VanDerWaalsContact C-CD 3.5Å |
| 1791 | R | 87.1 | Confident | 89.3 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | trans | -136.5 | 48 | -179.1 | -68 | -64.9 | -162.7 | 68.9 | 14.6 | 112.6 | F1629 P1632 L1787 N1793 D1794 I1795 | F1629-R1791 HydrophobicContact CD1-CG 4.29Å; F1629-R1791 VanDerWaalsContact O-CZ 3.32Å; F1629-R1791 PolarHBondContact O-NH1 2.95Å; F1629-R1791 PolarHBondContact O-NH2 3.01Å; P1632-R1791 HydrophobicContact CG-CB 4.49Å; P1632-R1791 HydrophobicContact CG-CG 4.48Å; L1787-R1791 CarbonylContact O-C 3.48Å; L1787-R1791 VanDerWaalsContact O-C 3.31Å; L1787-R1791 VanDerWaalsContact O-CA 3.31Å; L1787-R1791 WeakPolarHBondContact O-CA 3.43Å; L1787-R1791 PolarHBondContact O-N 2.89Å; R1791-N1793 VanDerWaalsContact C-N 3.26Å; R1791-N1793 PolarHBondContact O-N 2.83Å; R1791-N1793 VanDerWaalsContact O-N 3.17Å; R1791-D1794 HydrophobicContact CB-CB 4.23Å; R1791-D1794 WeakPolarHBondContact CD-OD2 3.34Å; R1791-D1794 IonicContact CZ-OD2 3.7Å; R1791-D1794 IonicContact NE-OD2 3.68Å; R1791-D1794 IonicContact NH1-OD2 2.69Å; R1791-D1794 PolarHBondContact NH1-OD2 2.8Å; R1791-D1794 PolarHBondContact O-N 2.88Å; R1791-I1795 PolarHBondContact O-N 3.2Å | ||
| 1792 | P | 87.1 | Confident | 89.3 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.6 | -36.3 | -175.7 | 23.2 | -33.9 | 0 | 0 | 0 | 113.2 | R1790 D1794 I1795 K1796 F1830 | R1790-P1792 VanDerWaalsContact C-CD 3.5Å; P1792-D1794 PolarHBondContact O-N 2.98Å; P1792-I1795 PolarHBondContact O-N 3.13Å; P1792-K1796 WeakPolarHBondContact O-CB 3.49Å; P1792-K1796 PolarHBondContact O-N 2.61Å; P1792-F1830 HydrophobicContact CB-CE1 4.19Å; P1792-F1830 HydrophobicContact CB-CZ 3.97Å; P1792-F1830 WeakPolarHBondContact O-CE1 3.22Å |
| 1793 | N | 84.5 | Confident | 89.4 | Confident | 105 Ų | 105 | 41.1 Ų | 41.1 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.5 | -35.9 | 177 | -77 | -46.4 | 0 | 0 | 0 | 113.7 | R1791 I1795 | R1791-N1793 VanDerWaalsContact C-N 3.26Å; R1791-N1793 PolarHBondContact O-N 2.83Å; R1791-N1793 VanDerWaalsContact O-N 3.17Å; N1793-I1795 VanDerWaalsContact C-N 3.33Å |
| 1794 | D | 85.5 | Confident | 89.2 | Confident | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71 | -34.2 | 176 | -69.2 | -40.4 | 0 | 0 | 0 | 111.3 | P1632 K1633 R1791 P1792 | P1632-D1794 HydrophobicContact CB-CB 3.89Å; P1632-D1794 HydrophobicContact CG-CB 3.93Å; K1633-D1794 WeakPolarHBondContact CE-O 3.01Å; K1633-D1794 WeakPolarHBondContact CG-O 3.22Å; R1791-D1794 HydrophobicContact CB-CB 4.23Å; R1791-D1794 WeakPolarHBondContact CD-OD2 3.34Å; R1791-D1794 IonicContact CZ-OD2 3.7Å; R1791-D1794 IonicContact NE-OD2 3.68Å; R1791-D1794 IonicContact NH1-OD2 2.69Å; R1791-D1794 PolarHBondContact NH1-OD2 2.8Å; R1791-D1794 PolarHBondContact O-N 2.88Å; P1792-D1794 PolarHBondContact O-N 2.98Å |
| 1795 | I | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.5 | -34.1 | -177.4 | -67.8 | -63.2 | 0 | 0 | 0 | 112.7 | P1632 L1787 R1791 P1792 N1793 D1797 V1798 L1799 V1802 F1830 | P1632-I1795 HydrophobicContact CB-CD1 4.33Å; L1787-I1795 HydrophobicContact CB-CD1 4.04Å; L1787-I1795 HydrophobicContact CB-CG1 4.21Å; R1791-I1795 PolarHBondContact O-N 3.2Å; P1792-I1795 PolarHBondContact O-N 3.13Å; N1793-I1795 VanDerWaalsContact C-N 3.33Å; I1795-D1797 PolarHBondContact O-N 3.48Å; I1795-D1797 VanDerWaalsContact O-N 3.09Å; I1795-V1798 CarbonylContact O-C 3.57Å; I1795-V1798 PolarHBondContact O-N 2.97Å; I1795-L1799 HydrophobicContact CG2-CD1 4.37Å; I1795-L1799 PolarHBondContact O-N 2.99Å; I1795-V1802 HydrophobicContact CD1-CG2 4.04Å; I1795-V1802 HydrophobicContact CG2-CG2 4.07Å; I1795-F1830 HydrophobicContact CB-CE1 4.26Å; I1795-F1830 HydrophobicContact CB-CZ 4.02Å; I1795-F1830 HydrophobicContact CG2-CE1 3.88Å; I1795-F1830 HydrophobicContact CG2-CE2 4.31Å; I1795-F1830 HydrophobicContact CG2-CZ 3.56Å |
| 1796 | K | 84.4 | Confident | 88.9 | Confident | 69 Ų | 69 | 38 Ų | 38 | 30% | 0.3 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -53.3 | -33.2 | -178.6 | -164.3 | 166.7 | -171.2 | 165.7 | 0 | 112.9 | P1792 F1830 E1958 | P1792-K1796 WeakPolarHBondContact O-CB 3.49Å; P1792-K1796 PolarHBondContact O-N 2.61Å; K1796-F1830 HydrophobicContact CB-CE1 4.28Å; K1796-E1958 IonicContact NZ-OE1 2.73Å; K1796-E1958 PolarHBondContact NZ-OE1 3.09Å |
| 1797 | D | 83.8 | Confident | 88.7 | Confident | 68 Ų | 68 | 37.6 Ų | 37.6 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15.5 | -179.4 | -64.4 | -20.4 | 0 | 0 | 0 | 114.5 | K1633 I1795 V1847 | K1633-D1797 IonicContact NZ-OD2 3.41Å; K1633-D1797 PolarHBondContact NZ-OD2 2.81Å; I1795-D1797 PolarHBondContact O-N 3.48Å; I1795-D1797 VanDerWaalsContact O-N 3.09Å; D1797-V1847 HydrophobicContact CB-CG2 3.87Å; D1797-V1847 WeakPolarHBondContact O-CG2 3.34Å |
| 1798 | V | 89.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 22.1 | -178.5 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | K1633 T1636 I1795 P1800 E1801 V1802 | K1633-V1798 HydrophobicContact CB-CG1 4.13Å; K1633-V1798 HydrophobicContact CD-CG1 4.48Å; K1633-V1798 HydrophobicContact CG-CG1 4.04Å; K1633-V1798 HydrophobicContact CG-CG2 4.25Å; T1636-V1798 HydrophobicContact CG2-CB 3.96Å; T1636-V1798 HydrophobicContact CG2-CG2 3.81Å; I1795-V1798 CarbonylContact O-C 3.57Å; I1795-V1798 PolarHBondContact O-N 2.97Å; V1798-P1800 VanDerWaalsContact C-N 3.34Å; V1798-E1801 PolarHBondContact O-N 3.24Å; V1798-E1801 VanDerWaalsContact O-N 3.17Å; V1798-V1802 HydrophobicContact CG2-CG2 4.31Å; V1798-V1802 WeakPolarHBondContact O-CG2 3.48Å; V1798-V1802 PolarHBondContact O-N 2.76Å; V1798-V1802 VanDerWaalsContact O-N 3.07Å |
| 1799 | L | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.1 | -35.9 | -175.8 | -170.4 | 63.8 | 0 | 0 | 0 | 114.2 | I1795 V1802 V1803 L1827 F1830 A1832 T1844 | I1795-L1799 HydrophobicContact CG2-CD1 4.37Å; I1795-L1799 PolarHBondContact O-N 2.99Å; L1799-V1802 PolarHBondContact O-N 3.04Å; L1799-V1803 WeakPolarHBondContact O-CG2 3.06Å; L1799-V1803 PolarHBondContact O-N 3.22Å; L1799-V1803 VanDerWaalsContact O-N 3.08Å; L1799-L1827 HydrophobicContact CD1-CD2 3.96Å; L1799-F1830 HydrophobicContact CD1-CB 4.23Å; L1799-F1830 HydrophobicContact CD1-CD1 4.04Å; L1799-F1830 HydrophobicContact CD1-CD2 4.24Å; L1799-F1830 HydrophobicContact CD1-CE1 4.47Å; L1799-F1830 HydrophobicContact CD1-CG 3.91Å; L1799-F1830 HydrophobicContact CD2-CB 3.87Å; L1799-F1830 HydrophobicContact CD2-CD1 4.25Å; L1799-F1830 HydrophobicContact CD2-CG 4.25Å; L1799-A1832 HydrophobicContact CD2-CB 4.05Å; L1799-T1844 HydrophobicContact CG-CG2 4.23Å |
| 1800 | P | 89.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.9 | -22.1 | 34.7 | 0 | 0 | 0 | 113.7 | V1798 V1803 E1804 Y1854 | V1798-P1800 VanDerWaalsContact C-N 3.34Å; P1800-V1803 PolarHBondContact O-N 3.05Å; P1800-E1804 WeakPolarHBondContact O-CB 3.41Å; P1800-E1804 PolarHBondContact O-N 2.85Å; P1800-Y1854 VanDerWaalsContact C-OH 3.3Å; P1800-Y1854 WeakPolarHBondContact CA-OH 3.47Å; P1800-Y1854 PolarHBondContact O-OH 2.83Å |
| 1801 | E | 90.7 | Very high | 87.4 | Confident | 38 Ų | 38 | 29.9 Ų | 29.9 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.9 | -74.2 | 58 | -141.5 | 0 | 0 | 111.5 | T1636 L1637 R1644 V1798 E1804 V1805 | T1636-E1801 HydrophobicContact CG2-CB 3.5Å; L1637-E1801 HydrophobicContact CD2-CG 4.12Å; R1644-E1801 IonicContact CZ-OE1 3.3Å; R1644-E1801 IonicContact NH1-OE1 3.84Å; R1644-E1801 IonicContact NH2-OE1 2.79Å; R1644-E1801 PolarHBondContact NH2-OE1 3.35Å; V1798-E1801 PolarHBondContact O-N 3.24Å; V1798-E1801 VanDerWaalsContact O-N 3.17Å; E1801-E1804 WeakPolarHBondContact O-CB 3.28Å; E1801-E1804 PolarHBondContact O-N 3.23Å; E1801-V1805 WeakPolarHBondContact O-CG2 3.22Å; E1801-V1805 PolarHBondContact O-N 3.34Å |
| 1802 | V | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | T1636 F1784 I1795 V1798 L1799 E1804 V1805 I1806 L1827 | T1636-V1802 HydrophobicContact CG2-CG2 3.53Å; F1784-V1802 HydrophobicContact CD1-CB 4.46Å; F1784-V1802 HydrophobicContact CD1-CG1 3.89Å; F1784-V1802 HydrophobicContact CD1-CG2 4.04Å; F1784-V1802 HydrophobicContact CE1-CG1 4.41Å; F1784-V1802 HydrophobicContact CE1-CG2 3.87Å; F1784-V1802 HydrophobicContact CG-CG1 4.47Å; I1795-V1802 HydrophobicContact CD1-CG2 4.04Å; I1795-V1802 HydrophobicContact CG2-CG2 4.07Å; V1798-V1802 HydrophobicContact CG2-CG2 4.31Å; V1798-V1802 WeakPolarHBondContact O-CG2 3.48Å; V1798-V1802 PolarHBondContact O-N 2.76Å; V1798-V1802 VanDerWaalsContact O-N 3.07Å; L1799-V1802 PolarHBondContact O-N 3.04Å; V1802-E1804 VanDerWaalsContact C-N 3.33Å; V1802-E1804 PolarHBondContact O-N 3.41Å; V1802-V1805 PolarHBondContact O-N 2.79Å; V1802-I1806 HydrophobicContact CG1-CD1 3.53Å; V1802-I1806 HydrophobicContact CG1-CG1 4.34Å; V1802-I1806 VanDerWaalsContact O-CG1 3.28Å; V1802-I1806 WeakPolarHBondContact O-CG1 3.42Å; V1802-I1806 PolarHBondContact O-N 3.23Å; V1802-L1827 HydrophobicContact CG1-CD2 4.46Å |
| 1803 | V | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.2 | -33.3 | 178 | 173.1 | 0 | 0 | 0 | 0 | 112 | L1799 P1800 L1807 L1820 L1827 Y1833 T1844 Y1854 | L1799-V1803 WeakPolarHBondContact O-CG2 3.06Å; L1799-V1803 PolarHBondContact O-N 3.22Å; L1799-V1803 VanDerWaalsContact O-N 3.08Å; P1800-V1803 PolarHBondContact O-N 3.05Å; V1803-L1807 HydrophobicContact CG1-CD1 3.82Å; V1803-L1807 HydrophobicContact CG1-CG 4.28Å; V1803-L1807 VanDerWaalsContact O-CB 3.3Å; V1803-L1807 WeakPolarHBondContact O-CB 3.38Å; V1803-L1807 VanDerWaalsContact O-CG 3.27Å; V1803-L1807 WeakPolarHBondContact O-CG 3.41Å; V1803-L1807 PolarHBondContact O-N 3.28Å; V1803-L1820 HydrophobicContact CG1-CD2 4.28Å; V1803-L1827 HydrophobicContact CG2-CD1 3.95Å; V1803-L1827 HydrophobicContact CG2-CD2 3.72Å; V1803-Y1833 HydrophobicContact CG2-CD2 4.07Å; V1803-Y1833 HydrophobicContact CG2-CE2 4.29Å; V1803-T1844 HydrophobicContact CB-CG2 3.96Å; V1803-T1844 HydrophobicContact CG1-CG2 4.33Å; V1803-T1844 HydrophobicContact CG2-CG2 3.58Å; V1803-Y1854 HydrophobicContact CB-CE2 4.24Å; V1803-Y1854 HydrophobicContact CG1-CD1 4.3Å; V1803-Y1854 HydrophobicContact CG1-CD2 3.93Å; V1803-Y1854 HydrophobicContact CG1-CE1 4.02Å; V1803-Y1854 HydrophobicContact CG1-CE2 3.66Å; V1803-Y1854 HydrophobicContact CG1-CG 4.26Å |
| 1804 | E | 88.2 | Confident | 86 | Confident | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 172.7 | -175.1 | -179.3 | -147.9 | 0 | 0 | 112 | S1640 V1643 R1644 P1800 E1801 V1802 A1808 Y1854 Y1861 | S1640-E1804 PolarHBondContact OG-OE2 3Å; V1643-E1804 HydrophobicContact CG1-CG 4.17Å; R1644-E1804 VanDerWaalsContact CG-OE1 3.27Å; R1644-E1804 WeakPolarHBondContact CG-OE1 3.27Å; R1644-E1804 IonicContact CZ-OE1 3.84Å; R1644-E1804 IonicContact CZ-OE2 3.63Å; R1644-E1804 VanDerWaalsContact NE-CD 3.34Å; R1644-E1804 IonicContact NE-OE1 2.8Å; R1644-E1804 PolarHBondContact NE-OE1 2.81Å; R1644-E1804 IonicContact NE-OE2 3.75Å; R1644-E1804 PolarHBondContact NE-OE2 2.71Å; R1644-E1804 IonicContact NH2-OE1 2.62Å; R1644-E1804 IonicContact NH2-OE2 2.7Å; R1644-E1804 PolarHBondContact NH2-OE2 2.79Å; P1800-E1804 WeakPolarHBondContact O-CB 3.41Å; P1800-E1804 PolarHBondContact O-N 2.85Å; E1801-E1804 WeakPolarHBondContact O-CB 3.28Å; E1801-E1804 PolarHBondContact O-N 3.23Å; V1802-E1804 VanDerWaalsContact C-N 3.33Å; V1802-E1804 PolarHBondContact O-N 3.41Å; E1804-A1808 WeakPolarHBondContact O-CB 3.28Å; E1804-A1808 PolarHBondContact O-N 3.36Å; E1804-A1808 VanDerWaalsContact O-N 3.12Å; E1804-Y1854 HydrophobicContact CB-CE1 4.35Å; E1804-Y1861 HydrophobicContact CG-CE1 4.25Å; E1804-Y1861 VanDerWaalsContact OE1-CE1 3.26Å; E1804-Y1861 WeakPolarHBondContact OE1-CE1 3.28Å; E1804-Y1861 VanDerWaalsContact OE1-CZ 3.27Å; E1804-Y1861 PolarHBondContact OE1-OH 3.27Å |
| 1805 | V | 89.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.9 | -42.4 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | L1639 V1643 V1780 F1784 E1801 V1802 L1807 A1808 C1809 | L1639-V1805 HydrophobicContact CB-CG1 4.21Å; L1639-V1805 HydrophobicContact CB-CG2 3.93Å; V1643-V1805 HydrophobicContact CG2-CG2 4.06Å; V1780-V1805 HydrophobicContact CG1-CG1 3.86Å; F1784-V1805 HydrophobicContact CD2-CG1 4.26Å; F1784-V1805 HydrophobicContact CE2-CB 4.05Å; F1784-V1805 HydrophobicContact CE2-CG1 3.56Å; F1784-V1805 HydrophobicContact CZ-CB 4.35Å; F1784-V1805 HydrophobicContact CZ-CG1 4.25Å; E1801-V1805 WeakPolarHBondContact O-CG2 3.22Å; E1801-V1805 PolarHBondContact O-N 3.34Å; V1802-V1805 PolarHBondContact O-N 2.79Å; V1805-L1807 VanDerWaalsContact C-N 3.33Å; V1805-L1807 PolarHBondContact O-N 2.93Å; V1805-A1808 PolarHBondContact O-N 3.25Å; V1805-A1808 VanDerWaalsContact O-N 3.13Å; V1805-C1809 PolarHBondContact O-N 2.62Å |
| 1806 | I | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 176.1 | -68.4 | 164.5 | 0 | 0 | 0 | 110.6 | L1781 F1784 V1802 A1808 C1809 S1810 L1820 F1824 L1827 | L1781-I1806 HydrophobicContact CD2-CB 4.41Å; L1781-I1806 HydrophobicContact CD2-CG1 4.41Å; L1781-I1806 HydrophobicContact CD2-CG2 4.08Å; F1784-I1806 HydrophobicContact CB-CD1 4.47Å; F1784-I1806 HydrophobicContact CB-CG1 4.38Å; V1802-I1806 HydrophobicContact CG1-CD1 3.53Å; V1802-I1806 HydrophobicContact CG1-CG1 4.34Å; V1802-I1806 VanDerWaalsContact O-CG1 3.28Å; V1802-I1806 WeakPolarHBondContact O-CG1 3.42Å; V1802-I1806 PolarHBondContact O-N 3.23Å; I1806-A1808 VanDerWaalsContact C-N 3.28Å; I1806-A1808 PolarHBondContact O-N 3.08Å; I1806-C1809 PolarHBondContact O-N 2.71Å; I1806-S1810 WeakPolarHBondContact O-CB 3.49Å; I1806-S1810 PolarHBondContact O-N 3.12Å; I1806-S1810 PolarHBondContact O-OG 3.14Å; I1806-L1820 HydrophobicContact CG2-CD1 3.92Å; I1806-F1824 HydrophobicContact CD1-CD1 3.67Å; I1806-F1824 HydrophobicContact CD1-CD2 4.18Å; I1806-F1824 HydrophobicContact CD1-CE1 3.43Å; I1806-F1824 VanDerWaalsContact CD1-CE1 3.43Å; I1806-F1824 HydrophobicContact CD1-CE2 3.98Å; I1806-F1824 HydrophobicContact CD1-CG 4.01Å; I1806-F1824 HydrophobicContact CD1-CZ 3.57Å; I1806-F1824 HydrophobicContact CG1-CD2 4.18Å; I1806-F1824 HydrophobicContact CG1-CE1 4.25Å; I1806-F1824 HydrophobicContact CG1-CE2 3.88Å; I1806-F1824 HydrophobicContact CG1-CG 4.46Å; I1806-F1824 HydrophobicContact CG1-CZ 3.9Å; I1806-F1824 HydrophobicContact CG2-CB 4.09Å; I1806-F1824 HydrophobicContact CG2-CD2 3.68Å; I1806-F1824 HydrophobicContact CG2-CE2 4.21Å; I1806-F1824 HydrophobicContact CG2-CG 3.86Å; I1806-L1827 HydrophobicContact CD1-CD1 3.91Å; I1806-L1827 HydrophobicContact CD1-CD2 4.21Å; I1806-L1827 HydrophobicContact CD1-CG 4.11Å |
| 1807 | L | 87.6 | Confident | 85 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -26.9 | 177.5 | -75.7 | 172.6 | 0 | 0 | 0 | 113.4 | V1803 V1805 L1815 L1820 Y1854 F1856 | V1803-L1807 HydrophobicContact CG1-CD1 3.82Å; V1803-L1807 HydrophobicContact CG1-CG 4.28Å; V1803-L1807 VanDerWaalsContact O-CB 3.3Å; V1803-L1807 WeakPolarHBondContact O-CB 3.38Å; V1803-L1807 VanDerWaalsContact O-CG 3.27Å; V1803-L1807 WeakPolarHBondContact O-CG 3.41Å; V1803-L1807 PolarHBondContact O-N 3.28Å; V1805-L1807 VanDerWaalsContact C-N 3.33Å; V1805-L1807 PolarHBondContact O-N 2.93Å; L1807-L1815 HydrophobicContact CD2-CD1 4.32Å; L1807-L1815 HydrophobicContact CD2-CD2 3.77Å; L1807-L1820 HydrophobicContact CD2-CD1 4.17Å; L1807-L1820 HydrophobicContact CD2-CD2 4.16Å; L1807-L1820 HydrophobicContact CG-CD2 4.44Å; L1807-Y1854 HydrophobicContact CD1-CD1 3.55Å; L1807-Y1854 HydrophobicContact CD1-CE1 4.33Å; L1807-Y1854 HydrophobicContact CD1-CG 3.69Å; L1807-F1856 HydrophobicContact CD2-CB 4.08Å; L1807-F1856 HydrophobicContact CD2-CD1 3.95Å; L1807-F1856 HydrophobicContact CD2-CG 4.13Å |
| 1808 | A | 83.6 | Confident | 85.1 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -77.5 | -34.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V1643 F1774 E1804 V1805 I1806 | V1643-A1808 HydrophobicContact CB-CB 4.47Å; V1643-A1808 HydrophobicContact CG1-CB 3.79Å; V1643-A1808 HydrophobicContact CG2-CB 3.73Å; F1774-A1808 HydrophobicContact CE1-CB 4.32Å; E1804-A1808 WeakPolarHBondContact O-CB 3.28Å; E1804-A1808 PolarHBondContact O-N 3.36Å; E1804-A1808 VanDerWaalsContact O-N 3.12Å; V1805-A1808 PolarHBondContact O-N 3.25Å; V1805-A1808 VanDerWaalsContact O-N 3.13Å; I1806-A1808 VanDerWaalsContact C-N 3.28Å; I1806-A1808 PolarHBondContact O-N 3.08Å |
| 1809 | C | 86.1 | Confident | 84.9 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -88.9 | -19 | 179.5 | -69.2 | 0 | 0 | 0 | 0 | 114.2 | R1777 L1781 V1805 I1806 | R1777-C1809 HydrophobicContact CB-CB 4.02Å; L1781-C1809 HydrophobicContact CD1-CB 4.25Å; L1781-C1809 HydrophobicContact CD2-CB 3.92Å; L1781-C1809 HydrophobicContact CG-CB 3.85Å; V1805-C1809 PolarHBondContact O-N 2.62Å; I1806-C1809 PolarHBondContact O-N 2.71Å |
| 1810 | S | 84.2 | Confident | 84.7 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -73.2 | 146.6 | -176.6 | -68.6 | 0 | 0 | 0 | 0 | 114.5 | I1806 R1812 | I1806-S1810 WeakPolarHBondContact O-CB 3.49Å; I1806-S1810 PolarHBondContact O-N 3.12Å; I1806-S1810 PolarHBondContact O-OG 3.14Å; S1810-R1812 PolarHBondContact O-N 2.89Å |
| 1811 | D | 79.3 | Confident | 84.7 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | trans | -67.6 | 118.3 | 170.9 | 173.8 | 11.5 | 0 | 0 | 0 | 111.8 | M1720 T1813 R1814 L1815 | M1720-D1811 HydrophobicContact CE-CB 4.4Å; M1720-D1811 VanDerWaalsContact CE-OD1 3.24Å; M1720-D1811 WeakPolarHBondContact CE-OD1 3.34Å; M1720-D1811 VanDerWaalsContact CE-OD2 3.31Å; M1720-D1811 WeakPolarHBondContact CE-OD2 3.43Å; D1811-T1813 PolarHBondContact O-N 3.4Å; D1811-T1813 PolarHBondContact OD1-N 2.83Å; D1811-T1813 PolarHBondContact OD1-OG1 2.89Å; D1811-T1813 PolarHBondContact OD2-OG1 3.38Å; D1811-R1814 HydrophobicContact CB-CB 4.35Å; D1811-R1814 WeakPolarHBondContact OD2-CD 3.24Å; D1811-R1814 VanDerWaalsContact OD2-CG 3.28Å; D1811-R1814 WeakPolarHBondContact OD2-CG 3.38Å; D1811-R1814 IonicContact OD2-NE 3.27Å; D1811-L1815 WeakPolarHBondContact O-CB 3.42Å; D1811-L1815 PolarHBondContact O-N 2.75Å | ||
| 1812 | R | 75.2 | Confident | 84.6 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 40% | 0.404 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -28.4 | 179.7 | -86.3 | -170.8 | 175.1 | -179.6 | 1 | 114.6 | S1810 K1816 | S1810-R1812 PolarHBondContact O-N 2.89Å; R1812-K1816 VanDerWaalsContact O-CB 3.28Å; R1812-K1816 WeakPolarHBondContact O-CB 3.48Å; R1812-K1816 PolarHBondContact O-N 3.02Å; R1812-K1816 VanDerWaalsContact O-N 3.08Å |
| 1813 | T | 76.3 | Confident | 84.4 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.4 | -51.6 | 179.2 | 56 | 0 | 0 | 0 | 0 | 110 | M1720 D1811 L1815 K1816 E1817 | M1720-T1813 HydrophobicContact CG-CG2 3.83Å; D1811-T1813 PolarHBondContact O-N 3.4Å; D1811-T1813 PolarHBondContact OD1-N 2.83Å; D1811-T1813 PolarHBondContact OD1-OG1 2.89Å; D1811-T1813 PolarHBondContact OD2-OG1 3.38Å; T1813-L1815 VanDerWaalsContact C-N 3.27Å; T1813-L1815 PolarHBondContact O-N 2.75Å; T1813-K1816 WeakPolarHBondContact O-CB 3.49Å; T1813-K1816 PolarHBondContact O-N 3.08Å; T1813-K1816 VanDerWaalsContact O-N 3.07Å; T1813-E1817 WeakPolarHBondContact O-CG 3.34Å; T1813-E1817 PolarHBondContact O-N 2.6Å |
| 1814 | R | 77.7 | Confident | 84.4 | Confident | 160 Ų | 160 | 51.2 Ų | 51.2 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -53.7 | -44.8 | 171.5 | -72.2 | 177.7 | 176.1 | -146.2 | -1.6 | 111.6 | D1811 K1816 E1817 R1818 I1823 | D1811-R1814 HydrophobicContact CB-CB 4.35Å; D1811-R1814 WeakPolarHBondContact OD2-CD 3.24Å; D1811-R1814 VanDerWaalsContact OD2-CG 3.28Å; D1811-R1814 WeakPolarHBondContact OD2-CG 3.38Å; D1811-R1814 IonicContact OD2-NE 3.27Å; R1814-K1816 PolarHBondContact O-N 2.74Å; R1814-E1817 PolarHBondContact O-N 3.18Å; R1814-E1817 VanDerWaalsContact O-N 3.13Å; R1814-R1818 PolarHBondContact O-N 2.87Å; R1814-I1823 HydrophobicContact CB-CD1 3.64Å; R1814-I1823 HydrophobicContact CB-CG1 4.26Å |
| 1815 | L | 81.2 | Confident | 84.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -31.9 | -178.9 | -170.9 | 71.4 | 0 | 0 | 0 | 112.4 | L1807 D1811 T1813 G1819 L1820 I1823 F1856 | L1807-L1815 HydrophobicContact CD2-CD1 4.32Å; L1807-L1815 HydrophobicContact CD2-CD2 3.77Å; D1811-L1815 WeakPolarHBondContact O-CB 3.42Å; D1811-L1815 PolarHBondContact O-N 2.75Å; T1813-L1815 VanDerWaalsContact C-N 3.27Å; T1813-L1815 PolarHBondContact O-N 2.75Å; L1815-G1819 WeakPolarHBondContact O-CA 3.37Å; L1815-G1819 PolarHBondContact O-N 2.79Å; L1815-L1820 HydrophobicContact CD1-CB 3.93Å; L1815-L1820 HydrophobicContact CD1-CD1 3.98Å; L1815-I1823 HydrophobicContact CB-CD1 3.86Å; L1815-I1823 HydrophobicContact CD1-CD1 4.05Å; L1815-F1856 HydrophobicContact CD1-CD2 4.25Å; L1815-F1856 HydrophobicContact CD1-CE2 4.03Å; L1815-F1856 HydrophobicContact CD1-CZ 4.41Å; L1815-F1856 HydrophobicContact CD2-CB 3.88Å; L1815-F1856 HydrophobicContact CD2-CD2 3.51Å; L1815-F1856 HydrophobicContact CD2-CE2 4.13Å; L1815-F1856 HydrophobicContact CD2-CG 3.82Å; L1815-F1856 HydrophobicContact CG-CD2 3.55Å; L1815-F1856 HydrophobicContact CG-CE2 3.67Å; L1815-F1856 HydrophobicContact CG-CG 4.3Å |
| 1816 | K | 79.3 | Confident | 84.6 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 55% | 0.548 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -75.5 | -33.5 | 175.7 | -161.5 | -176.8 | -173.3 | -177.4 | 0 | 112.8 | R1812 T1813 R1814 Q1840 | R1812-K1816 VanDerWaalsContact O-CB 3.28Å; R1812-K1816 WeakPolarHBondContact O-CB 3.48Å; R1812-K1816 PolarHBondContact O-N 3.02Å; R1812-K1816 VanDerWaalsContact O-N 3.08Å; T1813-K1816 WeakPolarHBondContact O-CB 3.49Å; T1813-K1816 PolarHBondContact O-N 3.08Å; T1813-K1816 VanDerWaalsContact O-N 3.07Å; R1814-K1816 PolarHBondContact O-N 2.74Å; K1816-Q1840 PolarHBondContact O-NE2 3.35Å; K1816-Q1840 VanDerWaalsContact O-NE2 3.1Å |
| 1817 | E | 80 | Confident | 84.7 | Confident | 130 Ų | 130 | 54.3 Ų | 54.3 | 61% | 0.607 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -83.2 | -45.2 | -177.8 | -72.5 | 174.3 | -168.1 | 0 | 0 | 113.9 | T1813 R1814 | T1813-E1817 WeakPolarHBondContact O-CG 3.34Å; T1813-E1817 PolarHBondContact O-N 2.6Å; R1814-E1817 PolarHBondContact O-N 3.18Å; R1814-E1817 VanDerWaalsContact O-N 3.13Å |
| 1818 | R | 84.4 | Confident | 84.7 | Confident | 132 Ų | 132 | 56.7 Ų | 56.7 | 50% | 0.498 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -119 | -12.7 | -170 | -55.8 | -169.8 | -177.2 | -149.3 | -2.2 | 114.6 | R1814 Y1822 | R1814-R1818 PolarHBondContact O-N 2.87Å; R1818-Y1822 HydrophobicContact CB-CD1 3.63Å; R1818-Y1822 HydrophobicContact CB-CD2 4.47Å; R1818-Y1822 HydrophobicContact CB-CE1 4.47Å; R1818-Y1822 HydrophobicContact CB-CG 3.65Å; R1818-Y1822 HydrophobicContact CG-CD1 4.12Å; R1818-Y1822 HydrophobicContact CG-CG 4.39Å; R1818-Y1822 VanDerWaalsContact NH1-CZ 3.27Å; R1818-Y1822 PolarHBondContact NH1-OH 2.78Å; R1818-Y1822 WeakPolarHBondContact O-CB 3.39Å |
| 1819 | G | 85.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | 81.2 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1815 | L1815-G1819 WeakPolarHBondContact O-CA 3.37Å; L1815-G1819 PolarHBondContact O-N 2.79Å | ||
| 1820 | L | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | -172.6 | -175.7 | 55.6 | 0 | 0 | 0 | 112 | V1803 I1806 L1807 L1815 Y1822 I1823 F1824 L1827 Y1833 A1842 F1856 | V1803-L1820 HydrophobicContact CG1-CD2 4.28Å; I1806-L1820 HydrophobicContact CG2-CD1 3.92Å; L1807-L1820 HydrophobicContact CD2-CD1 4.17Å; L1807-L1820 HydrophobicContact CD2-CD2 4.16Å; L1807-L1820 HydrophobicContact CG-CD2 4.44Å; L1815-L1820 HydrophobicContact CD1-CB 3.93Å; L1815-L1820 HydrophobicContact CD1-CD1 3.98Å; L1820-Y1822 PolarHBondContact O-N 3.19Å; L1820-I1823 PolarHBondContact O-N 2.82Å; L1820-I1823 VanDerWaalsContact O-N 3.09Å; L1820-F1824 HydrophobicContact CD1-CB 4.38Å; L1820-F1824 PolarHBondContact O-N 3.15Å; L1820-L1827 HydrophobicContact CD1-CD1 4.39Å; L1820-L1827 HydrophobicContact CD2-CD1 4.08Å; L1820-L1827 HydrophobicContact CG-CD1 4.12Å; L1820-Y1833 HydrophobicContact CD2-CE2 3.9Å; L1820-Y1833 WeakPolarHBondContact CD2-OH 3.17Å; L1820-Y1833 WeakPolarHBondContact CG-OH 3.26Å; L1820-A1842 HydrophobicContact CD2-CB 4.2Å; L1820-F1856 HydrophobicContact CB-CZ 4.38Å |
| 1821 | D | 89 | Confident | 85.6 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -27 | -177.4 | -50.2 | -52.4 | 0 | 0 | 0 | 113.4 | P1825 T1828 Y1833 S1835 | D1821-P1825 WeakPolarHBondContact O-CA 3.47Å; D1821-T1828 HydrophobicContact CB-CG2 3.9Å; D1821-Y1833 WeakPolarHBondContact OD1-CE1 3.5Å; D1821-Y1833 VanDerWaalsContact OD1-CZ 3.3Å; D1821-Y1833 PolarHBondContact OD1-OH 2.86Å; D1821-S1835 WeakPolarHBondContact OD1-CB 3.23Å; D1821-S1835 WeakPolarHBondContact OD2-CB 3.49Å; D1821-S1835 PolarHBondContact OD2-OG 3.28Å |
| 1822 | Y | 88.1 | Confident | 86.2 | Confident | 141 Ų | 141 | 60.3 Ų | 60.3 | 55% | 0.553 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -77.2 | -36.8 | 174.8 | -175.5 | -85.3 | 0 | 0 | 0 | 112.3 | R1818 L1820 | R1818-Y1822 HydrophobicContact CB-CD1 3.63Å; R1818-Y1822 HydrophobicContact CB-CD2 4.47Å; R1818-Y1822 HydrophobicContact CB-CE1 4.47Å; R1818-Y1822 HydrophobicContact CB-CG 3.65Å; R1818-Y1822 HydrophobicContact CG-CD1 4.12Å; R1818-Y1822 HydrophobicContact CG-CG 4.39Å; R1818-Y1822 VanDerWaalsContact NH1-CZ 3.27Å; R1818-Y1822 PolarHBondContact NH1-OH 2.78Å; R1818-Y1822 WeakPolarHBondContact O-CB 3.39Å; L1820-Y1822 PolarHBondContact O-N 3.19Å |
| 1823 | I | 87.6 | Confident | 87.1 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -83.4 | -31.2 | -175.1 | -68.3 | 168.2 | 0 | 0 | 0 | 111.5 | R1814 L1815 L1820 | R1814-I1823 HydrophobicContact CB-CD1 3.64Å; R1814-I1823 HydrophobicContact CB-CG1 4.26Å; L1815-I1823 HydrophobicContact CB-CD1 3.86Å; L1815-I1823 HydrophobicContact CD1-CD1 4.05Å; L1820-I1823 PolarHBondContact O-N 2.82Å; L1820-I1823 VanDerWaalsContact O-N 3.09Å |
| 1824 | F | 90.9 | Very high | 87.9 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | trans | -132.9 | 69.3 | -179.8 | -147.1 | -81.4 | 0 | 0 | 0 | 111 | L1781 F1784 E1785 I1806 L1820 A1826 L1827 | L1781-F1824 HydrophobicContact CB-CE2 4.21Å; L1781-F1824 HydrophobicContact CD2-CD2 3.98Å; L1781-F1824 HydrophobicContact CD2-CE2 3.78Å; L1781-F1824 WeakPolarHBondContact O-CE2 3.11Å; F1784-F1824 HydrophobicContact CB-CE2 4.48Å; F1784-F1824 HydrophobicContact CB-CZ 3.69Å; E1785-F1824 HydrophobicContact CB-CE1 4.44Å; E1785-F1824 HydrophobicContact CB-CE2 4.42Å; E1785-F1824 HydrophobicContact CB-CZ 3.94Å; E1785-F1824 VanDerWaalsContact N-CZ 3.35Å; I1806-F1824 HydrophobicContact CD1-CD1 3.67Å; I1806-F1824 HydrophobicContact CD1-CD2 4.18Å; I1806-F1824 HydrophobicContact CD1-CE1 3.43Å; I1806-F1824 VanDerWaalsContact CD1-CE1 3.43Å; I1806-F1824 HydrophobicContact CD1-CE2 3.98Å; I1806-F1824 HydrophobicContact CD1-CG 4.01Å; I1806-F1824 HydrophobicContact CD1-CZ 3.57Å; I1806-F1824 HydrophobicContact CG1-CD2 4.18Å; I1806-F1824 HydrophobicContact CG1-CE1 4.25Å; I1806-F1824 HydrophobicContact CG1-CE2 3.88Å; I1806-F1824 HydrophobicContact CG1-CG 4.46Å; I1806-F1824 HydrophobicContact CG1-CZ 3.9Å; I1806-F1824 HydrophobicContact CG2-CB 4.09Å; I1806-F1824 HydrophobicContact CG2-CD2 3.68Å; I1806-F1824 HydrophobicContact CG2-CE2 4.21Å; I1806-F1824 HydrophobicContact CG2-CG 3.86Å; L1820-F1824 HydrophobicContact CD1-CB 4.38Å; L1820-F1824 PolarHBondContact O-N 3.15Å; F1824-A1826 HydrophobicContact CD1-CB 4.14Å; F1824-A1826 HydrophobicContact CE1-CB 3.98Å; F1824-A1826 PolarHBondContact O-N 3.47Å; F1824-L1827 HydrophobicContact CB-CD1 4.39Å; F1824-L1827 HydrophobicContact CD1-CD1 4.17Å; F1824-L1827 HydrophobicContact CD1-CG 3.86Å; F1824-L1827 HydrophobicContact CE1-CG 4.47Å; F1824-L1827 PolarHBondContact O-N 3.11Å; F1824-L1827 VanDerWaalsContact O-N 3.09Å | ||
| 1825 | P | 90.7 | Very high | 88.6 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -57.6 | -25.7 | -175.5 | -25 | 35.5 | 0 | 0 | 0 | 113.6 | D1821 L1827 T1828 | D1821-P1825 WeakPolarHBondContact O-CA 3.47Å; P1825-L1827 PolarHBondContact O-N 2.88Å; P1825-L1827 VanDerWaalsContact O-N 3.09Å; P1825-T1828 WeakPolarHBondContact O-CB 3.25Å; P1825-T1828 WeakPolarHBondContact O-CG2 3.46Å; P1825-T1828 PolarHBondContact O-N 2.86Å; P1825-T1828 PolarHBondContact O-OG1 2.93Å |
| 1826 | A | 91.6 | Very high | 89 | Confident | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -64.4 | -7.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E1785 C1788 I1789 F1824 P1829 | E1785-A1826 HydrophobicContact CG-CB 4.11Å; C1788-A1826 HydrophobicContact CB-CB 3.84Å; C1788-A1826 WeakPolarHBondContact CB-O 3.26Å; I1789-A1826 HydrophobicContact CD1-CB 4.42Å; I1789-A1826 HydrophobicContact CG1-CB 4.14Å; F1824-A1826 HydrophobicContact CD1-CB 4.14Å; F1824-A1826 HydrophobicContact CE1-CB 3.98Å; F1824-A1826 PolarHBondContact O-N 3.47Å; A1826-P1829 WeakPolarHBondContact O-CD 3.3Å |
| 1827 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -82 | -24.6 | 167.6 | -77.3 | 169.3 | 0 | 0 | 0 | 113.3 | L1799 V1802 V1803 I1806 L1820 F1824 P1825 F1830 Y1833 | L1799-L1827 HydrophobicContact CD1-CD2 3.96Å; V1802-L1827 HydrophobicContact CG1-CD2 4.46Å; V1803-L1827 HydrophobicContact CG2-CD1 3.95Å; V1803-L1827 HydrophobicContact CG2-CD2 3.72Å; I1806-L1827 HydrophobicContact CD1-CD1 3.91Å; I1806-L1827 HydrophobicContact CD1-CD2 4.21Å; I1806-L1827 HydrophobicContact CD1-CG 4.11Å; L1820-L1827 HydrophobicContact CD1-CD1 4.39Å; L1820-L1827 HydrophobicContact CD2-CD1 4.08Å; L1820-L1827 HydrophobicContact CG-CD1 4.12Å; F1824-L1827 HydrophobicContact CB-CD1 4.39Å; F1824-L1827 HydrophobicContact CD1-CD1 4.17Å; F1824-L1827 HydrophobicContact CD1-CG 3.86Å; F1824-L1827 HydrophobicContact CE1-CG 4.47Å; F1824-L1827 PolarHBondContact O-N 3.11Å; F1824-L1827 VanDerWaalsContact O-N 3.09Å; P1825-L1827 PolarHBondContact O-N 2.88Å; P1825-L1827 VanDerWaalsContact O-N 3.09Å; L1827-F1830 PolarHBondContact O-N 3.43Å; L1827-F1830 VanDerWaalsContact O-N 3.12Å; L1827-Y1833 HydrophobicContact CB-CD1 4.01Å; L1827-Y1833 HydrophobicContact CB-CE1 3.71Å; L1827-Y1833 HydrophobicContact CD1-CE2 4.13Å; L1827-Y1833 WeakPolarHBondContact O-CD1 3.34Å |
| 1828 | T | 88.5 | Confident | 89.4 | Confident | 82 Ų | 82 | 50 Ų | 50 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.1 | -173.8 | 63.5 | 0 | 0 | 0 | 0 | 116.3 | D1821 P1825 F1830 | D1821-T1828 HydrophobicContact CB-CG2 3.9Å; P1825-T1828 WeakPolarHBondContact O-CB 3.25Å; P1825-T1828 WeakPolarHBondContact O-CG2 3.46Å; P1825-T1828 PolarHBondContact O-N 2.86Å; P1825-T1828 PolarHBondContact O-OG1 2.93Å; T1828-F1830 VanDerWaalsContact C-N 3.26Å; T1828-F1830 PolarHBondContact O-N 2.99Å |
| 1829 | P | 88.2 | Confident | 89.5 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 58% | 0.578 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.7 | 173.8 | -21.7 | 35.2 | 0 | 0 | 0 | 114.1 | A1826 H1831 | A1826-P1829 WeakPolarHBondContact O-CD 3.3Å; P1829-H1831 PolarHBondContact O-N 3.43Å; P1829-H1831 VanDerWaalsContact O-N 3.15Å |
| 1830 | F | 91.7 | Very high | 89.6 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | trans | -80.6 | 99.3 | -174.7 | -67.8 | -89.9 | 0 | 0 | 0 | 111.2 | C1788 P1792 I1795 K1796 L1799 L1827 T1828 A1832 Y1833 | C1788-F1830 HydrophobicContact CB-CE2 3.94Å; C1788-F1830 HydrophobicContact CB-CZ 4.39Å; P1792-F1830 HydrophobicContact CB-CE1 4.19Å; P1792-F1830 HydrophobicContact CB-CZ 3.97Å; P1792-F1830 WeakPolarHBondContact O-CE1 3.22Å; I1795-F1830 HydrophobicContact CB-CE1 4.26Å; I1795-F1830 HydrophobicContact CB-CZ 4.02Å; I1795-F1830 HydrophobicContact CG2-CE1 3.88Å; I1795-F1830 HydrophobicContact CG2-CE2 4.31Å; I1795-F1830 HydrophobicContact CG2-CZ 3.56Å; K1796-F1830 HydrophobicContact CB-CE1 4.28Å; L1799-F1830 HydrophobicContact CD1-CB 4.23Å; L1799-F1830 HydrophobicContact CD1-CD1 4.04Å; L1799-F1830 HydrophobicContact CD1-CD2 4.24Å; L1799-F1830 HydrophobicContact CD1-CE1 4.47Å; L1799-F1830 HydrophobicContact CD1-CG 3.91Å; L1799-F1830 HydrophobicContact CD2-CB 3.87Å; L1799-F1830 HydrophobicContact CD2-CD1 4.25Å; L1799-F1830 HydrophobicContact CD2-CG 4.25Å; L1827-F1830 PolarHBondContact O-N 3.43Å; L1827-F1830 VanDerWaalsContact O-N 3.12Å; T1828-F1830 VanDerWaalsContact C-N 3.26Å; T1828-F1830 PolarHBondContact O-N 2.99Å; F1830-A1832 PolarHBondContact O-N 2.98Å; F1830-Y1833 WeakPolarHBondContact O-CB 3.4Å; F1830-Y1833 PolarHBondContact O-N 3.29Å | ||
| 1831 | H | 91.5 | Very high | 89.6 | Confident | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.9 | 177.4 | -55.6 | -26.3 | 0 | 0 | 0 | 114.3 | P1829 Y1833 A1873 I1874 V1959 W1960 | P1829-H1831 PolarHBondContact O-N 3.43Å; P1829-H1831 VanDerWaalsContact O-N 3.15Å; H1831-Y1833 PolarHBondContact O-N 2.94Å; H1831-A1873 CarbonylContact O-C 3.56Å; H1831-A1873 VanDerWaalsContact O-CA 3.27Å; H1831-A1873 WeakPolarHBondContact O-CA 3.4Å; H1831-I1874 PolarHBondContact O-N 3.37Å; H1831-V1959 WeakPolarHBondContact CB-O 3.27Å; H1831-V1959 PolarHBondContact CD2-O 3.17Å; H1831-V1959 VanDerWaalsContact CD2-O 3.25Å; H1831-W1960 HydrophobicContact CB-CB 4.2Å; H1831-W1960 AromaticContact NE2-CE3 3.42Å |
| 1832 | A | 92.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 11 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1799 F1830 T1844 G1845 I1874 | L1799-A1832 HydrophobicContact CD2-CB 4.05Å; F1830-A1832 PolarHBondContact O-N 2.98Å; A1832-T1844 CarbonylContact O-C 3.49Å; A1832-T1844 WeakPolarHBondContact O-CA 3.28Å; A1832-G1845 PolarHBondContact O-N 3.22Å; A1832-I1874 WeakPolarHBondContact O-CD1 3.49Å |
| 1833 | Y | 94.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.2 | 175.9 | 156 | -90.1 | 0 | 0 | 0 | 110.2 | V1803 L1820 D1821 L1827 F1830 H1831 S1835 A1842 C1843 T1844 | V1803-Y1833 HydrophobicContact CG2-CD2 4.07Å; V1803-Y1833 HydrophobicContact CG2-CE2 4.29Å; L1820-Y1833 HydrophobicContact CD2-CE2 3.9Å; L1820-Y1833 WeakPolarHBondContact CD2-OH 3.17Å; L1820-Y1833 WeakPolarHBondContact CG-OH 3.26Å; D1821-Y1833 WeakPolarHBondContact OD1-CE1 3.5Å; D1821-Y1833 VanDerWaalsContact OD1-CZ 3.3Å; D1821-Y1833 PolarHBondContact OD1-OH 2.86Å; L1827-Y1833 HydrophobicContact CB-CD1 4.01Å; L1827-Y1833 HydrophobicContact CB-CE1 3.71Å; L1827-Y1833 HydrophobicContact CD1-CE2 4.13Å; L1827-Y1833 WeakPolarHBondContact O-CD1 3.34Å; F1830-Y1833 WeakPolarHBondContact O-CB 3.4Å; F1830-Y1833 PolarHBondContact O-N 3.29Å; H1831-Y1833 PolarHBondContact O-N 2.94Å; Y1833-S1835 WeakPolarHBondContact OH-CB 3.24Å; Y1833-A1842 HydrophobicContact CE2-CB 4.14Å; Y1833-C1843 WeakPolarHBondContact CA-O 3.44Å; Y1833-T1844 HydrophobicContact CD2-CG2 3.94Å |
| 1834 | S | 93.5 | Very high | 90.2 | Very high | 21 Ų | 21 | 37 Ų | 37 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 151.3 | 170.8 | -166.8 | 0 | 0 | 0 | 0 | 110.7 | A1842 C1843 F1876 | S1834-A1842 CarbonylContact O-C 3.58Å; S1834-A1842 WeakPolarHBondContact O-CA 3.36Å; S1834-C1843 PolarHBondContact N-O 3.11Å; S1834-C1843 PolarHBondContact O-N 3.27Å; S1834-F1876 WeakPolarHBondContact O-CE2 3.46Å; S1834-F1876 PolarHBondContact OG-N 3.03Å |
| 1835 | S | 91.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 12% | 0.119 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.5 | -178.7 | 136.6 | 0 | 0 | 0 | 0 | 111.2 | D1821 Y1833 | D1821-S1835 WeakPolarHBondContact OD1-CB 3.23Å; D1821-S1835 WeakPolarHBondContact OD2-CB 3.49Å; D1821-S1835 PolarHBondContact OD2-OG 3.28Å; Y1833-S1835 WeakPolarHBondContact OH-CB 3.24Å |
| 1836 | H | 89.6 | Confident | 90.1 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 87 | 176 | -174.3 | -95.7 | 0 | 0 | 0 | 110.9 | R1838 L1839 Q1840 K1841 F1876 G1880 | H1836-R1838 VanDerWaalsContact C-N 3.29Å; H1836-R1838 PolarHBondContact O-N 3.47Å; H1836-R1838 VanDerWaalsContact O-N 3.12Å; H1836-L1839 PolarHBondContact ND1-N 2.98Å; H1836-L1839 PolarHBondContact O-N 3.48Å; H1836-Q1840 PolarHBondContact O-N 3.3Å; H1836-Q1840 VanDerWaalsContact O-N 3.1Å; H1836-K1841 PolarHBondContact N-O 3.46Å; H1836-F1876 HydrophobicContact CB-CB 4.17Å; H1836-F1876 HydrophobicContact CB-CD1 3.82Å; H1836-F1876 HydrophobicContact CB-CD2 4.27Å; H1836-F1876 HydrophobicContact CB-CE1 4.22Å; H1836-F1876 HydrophobicContact CB-CG 3.84Å; H1836-G1880 PolarHBondContact NE2-N 2.82Å |
| 1837 | T | 85.2 | Confident | 89.8 | Confident | 52 Ų | 52 | 35.5 Ų | 35.5 | 32% | 0.319 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -42.9 | -47.4 | -176.1 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | L1839 Q1840 | T1837-L1839 VanDerWaalsContact C-N 3.31Å; T1837-L1839 PolarHBondContact O-N 3.49Å; T1837-Q1840 WeakPolarHBondContact O-CG 3.34Å; T1837-Q1840 PolarHBondContact O-N 2.85Å; T1837-Q1840 VanDerWaalsContact O-N 3.09Å |
| 1838 | R | 83.9 | Confident | 89.5 | Confident | 226 Ų | 226 | 39.3 Ų | 39.3 | 85% | 0.853 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -66.4 | -27.4 | -175 | -176 | 177.1 | 179.8 | -174.2 | 2.2 | 114.1 | H1836 | H1836-R1838 VanDerWaalsContact C-N 3.29Å; H1836-R1838 PolarHBondContact O-N 3.47Å; H1836-R1838 VanDerWaalsContact O-N 3.12Å |
| 1839 | L | 85.6 | Confident | 89.6 | Confident | 54 Ų | 54 | 35.4 Ų | 35.4 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -99.5 | -3.7 | 174 | -67.6 | -173.6 | 0 | 0 | 0 | 113.3 | H1836 T1837 K1841 D1879 G1880 | H1836-L1839 PolarHBondContact ND1-N 2.98Å; H1836-L1839 PolarHBondContact O-N 3.48Å; T1837-L1839 VanDerWaalsContact C-N 3.31Å; T1837-L1839 PolarHBondContact O-N 3.49Å; L1839-K1841 VanDerWaalsContact C-N 3.33Å; L1839-K1841 HydrophobicContact CB-CG 4.23Å; L1839-K1841 PolarHBondContact O-N 2.87Å; L1839-D1879 WeakPolarHBondContact CD1-O 3.21Å; L1839-G1880 WeakPolarHBondContact CD1-O 3.46Å |
| 1840 | Q | 87.8 | Confident | 89.7 | Confident | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 48 | -178.4 | -72.5 | 154.1 | 16.4 | 0 | 0 | 111.8 | K1816 H1836 T1837 F1856 K1857 | K1816-Q1840 PolarHBondContact O-NE2 3.35Å; K1816-Q1840 VanDerWaalsContact O-NE2 3.1Å; H1836-Q1840 PolarHBondContact O-N 3.3Å; H1836-Q1840 VanDerWaalsContact O-N 3.1Å; T1837-Q1840 WeakPolarHBondContact O-CG 3.34Å; T1837-Q1840 PolarHBondContact O-N 2.85Å; T1837-Q1840 VanDerWaalsContact O-N 3.09Å; Q1840-F1856 VanDerWaalsContact C-CE1 3.49Å; Q1840-F1856 VanDerWaalsContact C-CZ 3.47Å; Q1840-F1856 HydrophobicContact CB-CD2 3.62Å; Q1840-F1856 HydrophobicContact CB-CE2 3.55Å; Q1840-F1856 HydrophobicContact CB-CG 4.38Å; Q1840-F1856 HydrophobicContact CB-CZ 4.24Å; Q1840-F1856 HydrophobicContact CG-CD2 4.02Å; Q1840-F1856 HydrophobicContact CG-CE2 3.71Å; Q1840-F1856 WeakPolarHBondContact O-CD1 3.46Å; Q1840-F1856 WeakPolarHBondContact O-CG 3.29Å; Q1840-F1856 PolarHBondContact O-N 3.35Å; Q1840-K1857 HydrophobicContact CB-CB 3.87Å |
| 1841 | K | 88.7 | Confident | 89.8 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152 | 177.4 | -60.1 | -160.6 | -179.9 | -155.6 | 0 | 112.4 | H1836 L1839 Y1854 D1855 F1876 L1898 Q1909 | H1836-K1841 PolarHBondContact N-O 3.46Å; L1839-K1841 VanDerWaalsContact C-N 3.33Å; L1839-K1841 HydrophobicContact CB-CG 4.23Å; L1839-K1841 PolarHBondContact O-N 2.87Å; K1841-Y1854 CarbonylContact C-O 3.43Å; K1841-Y1854 WeakPolarHBondContact CA-O 3.4Å; K1841-D1855 WeakPolarHBondContact CE-OD2 3.26Å; K1841-D1855 IonicContact NZ-OD2 2.8Å; K1841-F1876 HydrophobicContact CB-CE1 4.16Å; K1841-F1876 HydrophobicContact CB-CZ 3.93Å; K1841-L1898 HydrophobicContact CD-CD2 4.26Å; K1841-Q1909 VanDerWaalsContact NZ-CD 3.26Å; K1841-Q1909 VanDerWaalsContact NZ-NE2 3.16Å |
| 1842 | A | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1820 Y1833 S1834 Y1854 F1856 | L1820-A1842 HydrophobicContact CD2-CB 4.2Å; Y1833-A1842 HydrophobicContact CE2-CB 4.14Å; S1834-A1842 CarbonylContact O-C 3.58Å; S1834-A1842 WeakPolarHBondContact O-CA 3.36Å; A1842-Y1854 HydrophobicContact CB-CD2 4.23Å; A1842-Y1854 PolarHBondContact N-O 3.32Å; A1842-Y1854 PolarHBondContact O-N 2.82Å; A1842-F1856 HydrophobicContact CB-CE1 4.21Å |
| 1843 | C | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.3 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | Y1833 S1834 T1852 F1853 I1874 F1876 | Y1833-C1843 WeakPolarHBondContact CA-O 3.44Å; S1834-C1843 PolarHBondContact N-O 3.11Å; S1834-C1843 PolarHBondContact O-N 3.27Å; C1843-T1852 CarbonylContact C-O 3.57Å; C1843-T1852 VanDerWaalsContact CA-O 3.3Å; C1843-T1852 WeakPolarHBondContact CA-O 3.45Å; C1843-F1853 HydrophobicContact CB-CD1 3.97Å; C1843-F1853 HydrophobicContact CB-CE1 4.11Å; C1843-F1853 VanDerWaalsContact SG-CE1 3.54Å; C1843-I1874 HydrophobicContact CB-CG2 4.11Å; C1843-F1876 HydrophobicContact CB-CE2 3.86Å; C1843-F1876 HydrophobicContact CB-CZ 4.22Å |
| 1844 | T | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.8 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | L1799 V1803 A1832 Y1833 L1851 T1852 Y1854 | L1799-T1844 HydrophobicContact CG-CG2 4.23Å; V1803-T1844 HydrophobicContact CB-CG2 3.96Å; V1803-T1844 HydrophobicContact CG1-CG2 4.33Å; V1803-T1844 HydrophobicContact CG2-CG2 3.58Å; A1832-T1844 CarbonylContact O-C 3.49Å; A1832-T1844 WeakPolarHBondContact O-CA 3.28Å; Y1833-T1844 HydrophobicContact CD2-CG2 3.94Å; T1844-L1851 WeakPolarHBondContact O-CA 3.38Å; T1844-T1852 PolarHBondContact N-O 3.25Å; T1844-T1852 PolarHBondContact O-N 3.04Å; T1844-Y1854 HydrophobicContact CG2-CE2 3.93Å; T1844-Y1854 WeakPolarHBondContact OG1-CE2 3.46Å; T1844-Y1854 PolarHBondContact OG1-OH 2.94Å |
| 1845 | G | 90.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1832 I1874 | A1832-G1845 PolarHBondContact O-N 3.22Å; G1845-I1874 VanDerWaalsContact N-CD1 3.29Å |
| 1846 | G | 87.3 | Confident | 88.4 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 7% | 0.072 | 14% | 0.14 | C | C | . | . | trans | -93.3 | 159.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1848 G1849 S1850 V1871 | G1846-N1848 PolarHBondContact O-N 2.84Å; G1846-G1849 PolarHBondContact O-N 3.39Å; G1846-S1850 PolarHBondContact N-O 3.05Å; G1846-V1871 PolarHBondContact O-N 3.28Å | ||
| 1847 | V | 86.2 | Confident | 87.8 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27 | 177.8 | -148.2 | 0 | 0 | 0 | 0 | 112.3 | P1410 D1797 G1849 P1870 | P1410-V1847 HydrophobicContact CG-CB 4.46Å; D1797-V1847 HydrophobicContact CB-CG2 3.87Å; D1797-V1847 WeakPolarHBondContact O-CG2 3.34Å; V1847-G1849 VanDerWaalsContact C-N 3.25Å; V1847-G1849 PolarHBondContact O-N 3.12Å; V1847-P1870 HydrophobicContact CG1-CB 4.15Å; V1847-P1870 WeakPolarHBondContact O-CA 3.32Å; V1847-P1870 WeakPolarHBondContact O-CB 3.2Å |
| 1848 | N | 85.1 | Confident | 87.1 | Confident | 80 Ų | 80 | 33 Ų | 33 | 43% | 0.428 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.9 | -179.3 | -51.9 | 33.5 | 0 | 0 | 0 | 112.9 | P1410 G1846 S1850 M1865 | P1410-N1848 WeakPolarHBondContact CG-OD1 3.11Å; G1846-N1848 PolarHBondContact O-N 2.84Å; N1848-S1850 VanDerWaalsContact C-N 3.3Å; N1848-M1865 HydrophobicContact CB-CE 4.22Å |
| 1849 | G | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 81.8 | 3.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1846 V1847 G1866 H1867 G1869 | G1846-G1849 PolarHBondContact O-N 3.39Å; V1847-G1849 VanDerWaalsContact C-N 3.25Å; V1847-G1849 PolarHBondContact O-N 3.12Å; G1849-G1866 CarbonylContact O-C 3.51Å; G1849-G1866 WeakPolarHBondContact O-CA 3.5Å; G1849-G1866 PolarHBondContact O-N 2.77Å; G1849-H1867 WeakPolarHBondContact CA-O 3.28Å; G1849-H1867 PolarHBondContact O-N 2.87Å; G1849-G1869 WeakPolarHBondContact CA-O 3.41Å; G1849-G1869 PolarHBondContact N-O 2.89Å |
| 1850 | S | 91.2 | Very high | 85.9 | Confident | 18 Ų | 18 | 30 Ų | 30 | 13% | 0.126 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 146.5 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | G1846 N1848 T1864 | G1846-S1850 PolarHBondContact N-O 3.05Å; N1848-S1850 VanDerWaalsContact C-N 3.3Å; S1850-T1864 CarbonylContact C-O 3.59Å; S1850-T1864 WeakPolarHBondContact CA-O 3.44Å |
| 1851 | L | 92.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.9 | 171.4 | -63.7 | 172.6 | 0 | 0 | 0 | 108.8 | T1844 F1853 V1863 T1864 V1871 I1874 T1885 W1896 | T1844-L1851 WeakPolarHBondContact O-CA 3.38Å; L1851-F1853 HydrophobicContact CB-CD2 4.26Å; L1851-F1853 HydrophobicContact CB-CE2 3.68Å; L1851-F1853 HydrophobicContact CB-CZ 4.41Å; L1851-F1853 HydrophobicContact CD1-CE2 4.25Å; L1851-F1853 HydrophobicContact CD1-CZ 4.39Å; L1851-V1863 WeakPolarHBondContact O-CA 3.32Å; L1851-T1864 HydrophobicContact CB-CG2 4.04Å; L1851-T1864 PolarHBondContact N-O 2.97Å; L1851-T1864 PolarHBondContact O-N 3.35Å; L1851-V1871 HydrophobicContact CD2-CG1 4.09Å; L1851-V1871 HydrophobicContact CD2-CG2 3.93Å; L1851-I1874 HydrophobicContact CD2-CD1 3.65Å; L1851-T1885 HydrophobicContact CD1-CG2 3.8Å; L1851-T1885 HydrophobicContact CD2-CG2 3.69Å; L1851-T1885 HydrophobicContact CG-CG2 4.42Å; L1851-W1896 HydrophobicContact CD1-CD2 4.19Å; L1851-W1896 HydrophobicContact CD1-CH2 4.48Å; L1851-W1896 HydrophobicContact CD1-CZ2 3.74Å |
| 1852 | T | 91.1 | Very high | 85.4 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.4 | 173.5 | -54.4 | 0 | 0 | 0 | 0 | 108.7 | C1843 T1844 Y1854 Y1861 F1862 V1863 | C1843-T1852 CarbonylContact C-O 3.57Å; C1843-T1852 VanDerWaalsContact CA-O 3.3Å; C1843-T1852 WeakPolarHBondContact CA-O 3.45Å; T1844-T1852 PolarHBondContact N-O 3.25Å; T1844-T1852 PolarHBondContact O-N 3.04Å; T1852-Y1854 HydrophobicContact CG2-CD1 4.48Å; T1852-Y1854 HydrophobicContact CG2-CD2 4.42Å; T1852-Y1854 HydrophobicContact CG2-CE1 3.84Å; T1852-Y1854 HydrophobicContact CG2-CE2 3.73Å; T1852-Y1854 VanDerWaalsContact CG2-CZ 3.41Å; T1852-Y1854 WeakPolarHBondContact CG2-OH 3.4Å; T1852-Y1854 WeakPolarHBondContact O-CE2 3.45Å; T1852-Y1861 HydrophobicContact CG2-CD2 4.12Å; T1852-Y1861 HydrophobicContact CG2-CG 4.49Å; T1852-F1862 WeakPolarHBondContact CA-O 3.4Å; T1852-V1863 HydrophobicContact CG2-CG2 4.07Å |
| 1853 | F | 90.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.9 | 177.7 | -69.3 | -95.3 | 0 | 0 | 0 | 109.3 | C1843 L1851 Y1861 F1862 T1864 V1883 L1898 V1911 | C1843-F1853 HydrophobicContact CB-CD1 3.97Å; C1843-F1853 HydrophobicContact CB-CE1 4.11Å; C1843-F1853 VanDerWaalsContact SG-CE1 3.54Å; L1851-F1853 HydrophobicContact CB-CD2 4.26Å; L1851-F1853 HydrophobicContact CB-CE2 3.68Å; L1851-F1853 HydrophobicContact CB-CZ 4.41Å; L1851-F1853 HydrophobicContact CD1-CE2 4.25Å; L1851-F1853 HydrophobicContact CD1-CZ 4.39Å; F1853-Y1861 CarbonylContact O-C 3.34Å; F1853-Y1861 WeakPolarHBondContact O-CA 3.38Å; F1853-Y1861 VanDerWaalsContact O-CB 3.27Å; F1853-Y1861 WeakPolarHBondContact O-CB 3.34Å; F1853-F1862 HydrophobicContact CB-CD1 4.13Å; F1853-F1862 HydrophobicContact CB-CE1 3.52Å; F1853-F1862 HydrophobicContact CB-CE2 4.07Å; F1853-F1862 HydrophobicContact CB-CZ 3.46Å; F1853-F1862 VanDerWaalsContact CB-CZ 3.46Å; F1853-F1862 HydrophobicContact CD1-CZ 4.43Å; F1853-F1862 HydrophobicContact CD2-CD2 4.42Å; F1853-F1862 HydrophobicContact CD2-CE1 4.43Å; F1853-F1862 AromaticContact CD2-CE2 3.5Å; F1853-F1862 HydrophobicContact CD2-CE2 3.5Å; F1853-F1862 AromaticContact CD2-CZ 3.5Å; F1853-F1862 HydrophobicContact CD2-CZ 3.5Å; F1853-F1862 HydrophobicContact CE2-CE2 4.23Å; F1853-F1862 HydrophobicContact CE2-CZ 4.32Å; F1853-F1862 HydrophobicContact CG-CE1 4.14Å; F1853-F1862 HydrophobicContact CG-CE2 4.05Å; F1853-F1862 AromaticContact CG-CZ 3.56Å; F1853-F1862 HydrophobicContact CG-CZ 3.56Å; F1853-F1862 PolarHBondContact N-O 3.26Å; F1853-F1862 PolarHBondContact O-N 2.87Å; F1853-T1864 HydrophobicContact CD2-CG2 4.35Å; F1853-T1864 HydrophobicContact CE2-CG2 3.91Å; F1853-V1883 HydrophobicContact CE1-CB 4.2Å; F1853-V1883 HydrophobicContact CE1-CG1 4.38Å; F1853-V1883 HydrophobicContact CE1-CG2 4.07Å; F1853-L1898 HydrophobicContact CD1-CD1 4.49Å; F1853-L1898 HydrophobicContact CD1-CD2 3.86Å; F1853-L1898 HydrophobicContact CE1-CD1 4.34Å; F1853-L1898 HydrophobicContact CE1-CD2 4.18Å; F1853-L1898 HydrophobicContact CE1-CG 4.4Å; F1853-V1911 HydrophobicContact CE1-CG2 4.4Å; F1853-V1911 HydrophobicContact CE2-CG1 4.27Å; F1853-V1911 HydrophobicContact CZ-CG1 4.23Å; F1853-V1911 HydrophobicContact CZ-CG2 4.35Å |
| 1854 | Y | 87.7 | Confident | 85 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.1 | 178.5 | -48.1 | -100.1 | 0 | 0 | 0 | 109 | P1800 V1803 E1804 L1807 K1841 A1842 T1844 T1852 Y1861 | P1800-Y1854 VanDerWaalsContact C-OH 3.3Å; P1800-Y1854 WeakPolarHBondContact CA-OH 3.47Å; P1800-Y1854 PolarHBondContact O-OH 2.83Å; V1803-Y1854 HydrophobicContact CB-CE2 4.24Å; V1803-Y1854 HydrophobicContact CG1-CD1 4.3Å; V1803-Y1854 HydrophobicContact CG1-CD2 3.93Å; V1803-Y1854 HydrophobicContact CG1-CE1 4.02Å; V1803-Y1854 HydrophobicContact CG1-CE2 3.66Å; V1803-Y1854 HydrophobicContact CG1-CG 4.26Å; E1804-Y1854 HydrophobicContact CB-CE1 4.35Å; L1807-Y1854 HydrophobicContact CD1-CD1 3.55Å; L1807-Y1854 HydrophobicContact CD1-CE1 4.33Å; L1807-Y1854 HydrophobicContact CD1-CG 3.69Å; K1841-Y1854 CarbonylContact C-O 3.43Å; K1841-Y1854 WeakPolarHBondContact CA-O 3.4Å; A1842-Y1854 HydrophobicContact CB-CD2 4.23Å; A1842-Y1854 PolarHBondContact N-O 3.32Å; A1842-Y1854 PolarHBondContact O-N 2.82Å; T1844-Y1854 HydrophobicContact CG2-CE2 3.93Å; T1844-Y1854 WeakPolarHBondContact OG1-CE2 3.46Å; T1844-Y1854 PolarHBondContact OG1-OH 2.94Å; T1852-Y1854 HydrophobicContact CG2-CD1 4.48Å; T1852-Y1854 HydrophobicContact CG2-CD2 4.42Å; T1852-Y1854 HydrophobicContact CG2-CE1 3.84Å; T1852-Y1854 HydrophobicContact CG2-CE2 3.73Å; T1852-Y1854 VanDerWaalsContact CG2-CZ 3.41Å; T1852-Y1854 WeakPolarHBondContact CG2-OH 3.4Å; T1852-Y1854 WeakPolarHBondContact O-CE2 3.45Å; Y1854-Y1861 HydrophobicContact CD1-CD1 4.47Å; Y1854-Y1861 HydrophobicContact CD1-CG 4.39Å |
| 1855 | D | 84.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 96.6 | 167.6 | -172.3 | -57.4 | 0 | 0 | 0 | 107.8 | K1841 K1857 I1858 G1859 R1860 Q1909 | K1841-D1855 WeakPolarHBondContact CE-OD2 3.26Å; K1841-D1855 IonicContact NZ-OD2 2.8Å; D1855-K1857 VanDerWaalsContact C-N 3.27Å; D1855-K1857 WeakPolarHBondContact OD1-CB 3.24Å; D1855-K1857 PolarHBondContact OD1-N 3.22Å; D1855-I1858 PolarHBondContact O-N 3.37Å; D1855-I1858 WeakPolarHBondContact OD1-CG1 3.45Å; D1855-I1858 PolarHBondContact OD1-N 3.2Å; D1855-G1859 WeakPolarHBondContact O-CA 3.38Å; D1855-G1859 PolarHBondContact O-N 2.83Å; D1855-R1860 PolarHBondContact N-O 3.07Å; D1855-R1860 PolarHBondContact O-N 2.91Å; D1855-Q1909 PolarHBondContact OD2-NE2 3.21Å |
| 1856 | F | 81.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.1 | -178.6 | 51.1 | -95.6 | 0 | 0 | 0 | 113.2 | L1807 L1815 L1820 Q1840 A1842 | L1807-F1856 HydrophobicContact CD2-CB 4.08Å; L1807-F1856 HydrophobicContact CD2-CD1 3.95Å; L1807-F1856 HydrophobicContact CD2-CG 4.13Å; L1815-F1856 HydrophobicContact CD1-CD2 4.25Å; L1815-F1856 HydrophobicContact CD1-CE2 4.03Å; L1815-F1856 HydrophobicContact CD1-CZ 4.41Å; L1815-F1856 HydrophobicContact CD2-CB 3.88Å; L1815-F1856 HydrophobicContact CD2-CD2 3.51Å; L1815-F1856 HydrophobicContact CD2-CE2 4.13Å; L1815-F1856 HydrophobicContact CD2-CG 3.82Å; L1815-F1856 HydrophobicContact CG-CD2 3.55Å; L1815-F1856 HydrophobicContact CG-CE2 3.67Å; L1815-F1856 HydrophobicContact CG-CG 4.3Å; L1820-F1856 HydrophobicContact CB-CZ 4.38Å; Q1840-F1856 VanDerWaalsContact C-CE1 3.49Å; Q1840-F1856 VanDerWaalsContact C-CZ 3.47Å; Q1840-F1856 HydrophobicContact CB-CD2 3.62Å; Q1840-F1856 HydrophobicContact CB-CE2 3.55Å; Q1840-F1856 HydrophobicContact CB-CG 4.38Å; Q1840-F1856 HydrophobicContact CB-CZ 4.24Å; Q1840-F1856 HydrophobicContact CG-CD2 4.02Å; Q1840-F1856 HydrophobicContact CG-CE2 3.71Å; Q1840-F1856 WeakPolarHBondContact O-CD1 3.46Å; Q1840-F1856 WeakPolarHBondContact O-CG 3.29Å; Q1840-F1856 PolarHBondContact O-N 3.35Å; A1842-F1856 HydrophobicContact CB-CE1 4.21Å |
| 1857 | K | 76.3 | Confident | 84.6 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 50% | 0.504 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -47.5 | 162.5 | -178.4 | 180 | 178.4 | -177.6 | 0 | 111 | M1724 Q1840 D1855 | M1724-K1857 HydrophobicContact CE-CG 4.37Å; M1724-K1857 WeakPolarHBondContact CE-O 3.38Å; Q1840-K1857 HydrophobicContact CB-CB 3.87Å; D1855-K1857 VanDerWaalsContact C-N 3.27Å; D1855-K1857 WeakPolarHBondContact OD1-CB 3.24Å; D1855-K1857 PolarHBondContact OD1-N 3.22Å |
| 1858 | I | 71.9 | Confident | 84.7 | Confident | 56 Ų | 56 | 54 Ų | 54 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.7 | -179.5 | -53.3 | 166.9 | 0 | 0 | 0 | 110.9 | T1725 D1855 R1860 | T1725-I1858 HydrophobicContact CG2-CG2 4.49Å; T1725-I1858 WeakPolarHBondContact CG2-O 3.16Å; D1855-I1858 PolarHBondContact O-N 3.37Å; D1855-I1858 WeakPolarHBondContact OD1-CG1 3.45Å; D1855-I1858 PolarHBondContact OD1-N 3.2Å; I1858-R1860 HydrophobicContact CG2-CG 4.19Å |
| 1859 | G | 70.2 | Confident | 84.7 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 37.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1855 | D1855-G1859 WeakPolarHBondContact O-CA 3.38Å; D1855-G1859 PolarHBondContact O-N 2.83Å |
| 1860 | R | 73.4 | Confident | 84.6 | Confident | 177 Ų | 177 | 53 Ų | 53 | 67% | 0.668 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.4 | 179.4 | -69.4 | -175.7 | 176.9 | -178.7 | -1.5 | 110.5 | D1855 I1858 | D1855-R1860 PolarHBondContact N-O 3.07Å; D1855-R1860 PolarHBondContact O-N 2.91Å; I1858-R1860 HydrophobicContact CG2-CG 4.19Å |
| 1861 | Y | 82.3 | Confident | 84.7 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 41% | 0.408 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 166.5 | 164.6 | 65.2 | -101.7 | 0 | 0 | 0 | 110.4 | E1804 T1852 F1853 Y1854 V1863 | E1804-Y1861 HydrophobicContact CG-CE1 4.25Å; E1804-Y1861 VanDerWaalsContact OE1-CE1 3.26Å; E1804-Y1861 WeakPolarHBondContact OE1-CE1 3.28Å; E1804-Y1861 VanDerWaalsContact OE1-CZ 3.27Å; E1804-Y1861 PolarHBondContact OE1-OH 3.27Å; T1852-Y1861 HydrophobicContact CG2-CD2 4.12Å; T1852-Y1861 HydrophobicContact CG2-CG 4.49Å; F1853-Y1861 CarbonylContact O-C 3.34Å; F1853-Y1861 WeakPolarHBondContact O-CA 3.38Å; F1853-Y1861 VanDerWaalsContact O-CB 3.27Å; F1853-Y1861 WeakPolarHBondContact O-CB 3.34Å; Y1854-Y1861 HydrophobicContact CD1-CD1 4.47Å; Y1854-Y1861 HydrophobicContact CD1-CG 4.39Å; Y1861-V1863 HydrophobicContact CD2-CG2 4.46Å; Y1861-V1863 HydrophobicContact CE2-CG2 4.46Å |
| 1862 | F | 83.7 | Confident | 84.6 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.8 | 163.3 | 68.8 | -88.5 | 0 | 0 | 0 | 109.7 | T1852 F1853 T1864 Q1909 V1911 | T1852-F1862 WeakPolarHBondContact CA-O 3.4Å; F1853-F1862 HydrophobicContact CB-CD1 4.13Å; F1853-F1862 HydrophobicContact CB-CE1 3.52Å; F1853-F1862 HydrophobicContact CB-CE2 4.07Å; F1853-F1862 HydrophobicContact CB-CZ 3.46Å; F1853-F1862 VanDerWaalsContact CB-CZ 3.46Å; F1853-F1862 HydrophobicContact CD1-CZ 4.43Å; F1853-F1862 HydrophobicContact CD2-CD2 4.42Å; F1853-F1862 HydrophobicContact CD2-CE1 4.43Å; F1853-F1862 AromaticContact CD2-CE2 3.5Å; F1853-F1862 HydrophobicContact CD2-CE2 3.5Å; F1853-F1862 AromaticContact CD2-CZ 3.5Å; F1853-F1862 HydrophobicContact CD2-CZ 3.5Å; F1853-F1862 HydrophobicContact CE2-CE2 4.23Å; F1853-F1862 HydrophobicContact CE2-CZ 4.32Å; F1853-F1862 HydrophobicContact CG-CE1 4.14Å; F1853-F1862 HydrophobicContact CG-CE2 4.05Å; F1853-F1862 AromaticContact CG-CZ 3.56Å; F1853-F1862 HydrophobicContact CG-CZ 3.56Å; F1853-F1862 PolarHBondContact N-O 3.26Å; F1853-F1862 PolarHBondContact O-N 2.87Å; F1862-T1864 HydrophobicContact CE2-CG2 4.37Å; F1862-Q1909 HydrophobicContact CD1-CB 4.36Å; F1862-Q1909 HydrophobicContact CE1-CB 4.1Å; F1862-V1911 HydrophobicContact CE1-CG2 4.5Å; F1862-V1911 HydrophobicContact CE2-CB 4.06Å; F1862-V1911 HydrophobicContact CE2-CG2 4.26Å; F1862-V1911 HydrophobicContact CZ-CB 3.83Å; F1862-V1911 HydrophobicContact CZ-CG2 3.55Å |
| 1863 | V | 86.2 | Confident | 84.7 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.1 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | L1851 T1852 Y1861 | L1851-V1863 WeakPolarHBondContact O-CA 3.32Å; T1852-V1863 HydrophobicContact CG2-CG2 4.07Å; Y1861-V1863 HydrophobicContact CD2-CG2 4.46Å; Y1861-V1863 HydrophobicContact CE2-CG2 4.46Å |
| 1864 | T | 88.9 | Confident | 84.9 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.5 | 169.8 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | S1850 L1851 F1853 F1862 G1866 | S1850-T1864 CarbonylContact C-O 3.59Å; S1850-T1864 WeakPolarHBondContact CA-O 3.44Å; L1851-T1864 HydrophobicContact CB-CG2 4.04Å; L1851-T1864 PolarHBondContact N-O 2.97Å; L1851-T1864 PolarHBondContact O-N 3.35Å; F1853-T1864 HydrophobicContact CD2-CG2 4.35Å; F1853-T1864 HydrophobicContact CE2-CG2 3.91Å; F1862-T1864 HydrophobicContact CE2-CG2 4.37Å; T1864-G1866 PolarHBondContact O-N 3Å |
| 1865 | M | 87.9 | Confident | 85.2 | Confident | 118 Ų | 118 | 54.4 Ų | 54.4 | 58% | 0.581 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.6 | 172.8 | -84.2 | -64.1 | 176.1 | 0 | 0 | 110 | N1848 | N1848-M1865 HydrophobicContact CB-CE 4.22Å |
| 1866 | G | 84.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | trans | -83 | -46.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | G1849 T1864 R1894 W1896 | G1849-G1866 CarbonylContact O-C 3.51Å; G1849-G1866 WeakPolarHBondContact O-CA 3.5Å; G1849-G1866 PolarHBondContact O-N 2.77Å; T1864-G1866 PolarHBondContact O-N 3Å; G1866-R1894 WeakPolarHBondContact O-CD 3.17Å; G1866-R1894 PolarHBondContact O-NE 2.69Å; G1866-R1894 PolarHBondContact O-NH1 2.91Å; G1866-W1896 VanDerWaalsContact CA-CZ2 3.45Å; G1866-W1896 WeakPolarHBondContact O-CZ2 3.5Å | ||
| 1867 | H | 92 | Very high | 85.9 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | trans | -134.8 | 171.6 | -177.8 | -66.8 | -96 | 0 | 0 | 0 | 109.9 | G1849 G1869 T1885 S1887 E1890 T1892 R1894 | G1849-H1867 WeakPolarHBondContact CA-O 3.28Å; G1849-H1867 PolarHBondContact O-N 2.87Å; H1867-G1869 WeakPolarHBondContact CB-O 3.41Å; H1867-T1885 PolarHBondContact NE2-OG1 2.81Å; H1867-S1887 WeakPolarHBondContact ND1-CB 3.39Å; H1867-E1890 IonicContact CE1-OE2 2.69Å; H1867-E1890 IonicContact CG-OE2 2.66Å; H1867-E1890 IonicContact ND1-OE2 3.13Å; H1867-E1890 PolarHBondContact ND1-OE2 3.02Å; H1867-T1892 PolarHBondContact CE1-O 3.21Å; H1867-T1892 PolarHBondContact CE1-OG1 2.87Å; H1867-T1892 PolarHBondContact ND1-OG1 3.27Å; H1867-R1894 PolarHBondContact ND1-NE 3.39Å | ||
| 1868 | K | 87.2 | Confident | 86.4 | Confident | 186 Ų | 186 | 53.4 Ų | 53.4 | 81% | 0.809 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -92.2 | -21.7 | 168.7 | -59.7 | 178.2 | 179.3 | -179.4 | 0 | 113.3 | E1890 | K1868-E1890 WeakPolarHBondContact CB-OE1 3.09Å; K1868-E1890 PolarHBondContact N-OE1 3.49Å |
| 1869 | G | 85.6 | Confident | 87 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -112.2 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1849 H1867 V1871 S1887 | G1849-G1869 WeakPolarHBondContact CA-O 3.41Å; G1849-G1869 PolarHBondContact N-O 2.89Å; H1867-G1869 WeakPolarHBondContact CB-O 3.41Å; G1869-V1871 PolarHBondContact O-N 2.91Å; G1869-S1887 PolarHBondContact O-OG 3.15Å |
| 1870 | P | 88.1 | Confident | 87.7 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 31% | 0.312 | 27% | 0.266 | S | S | . | . | trans | -54.7 | 134.3 | -177.5 | 21.1 | -33.9 | 0 | 0 | 0 | 112 | V1847 T1872 S1887 A1889 | V1847-P1870 HydrophobicContact CG1-CB 4.15Å; V1847-P1870 WeakPolarHBondContact O-CA 3.32Å; V1847-P1870 WeakPolarHBondContact O-CB 3.2Å; P1870-T1872 PolarHBondContact O-N 2.99Å; P1870-S1887 WeakPolarHBondContact O-CA 3.44Å; P1870-S1887 VanDerWaalsContact O-CB 3.24Å; P1870-S1887 WeakPolarHBondContact O-CB 3.39Å; P1870-S1887 PolarHBondContact O-OG 3.27Å; P1870-A1889 HydrophobicContact CG-CB 4.27Å | ||
| 1871 | V | 92.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -79 | 117.7 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 108.1 | G1846 L1851 G1869 I1874 | G1846-V1871 PolarHBondContact O-N 3.28Å; L1851-V1871 HydrophobicContact CD2-CG1 4.09Å; L1851-V1871 HydrophobicContact CD2-CG2 3.93Å; G1869-V1871 PolarHBondContact O-N 2.91Å; V1871-I1874 HydrophobicContact CG1-CD1 4.03Å; V1871-I1874 HydrophobicContact CG1-CG1 3.75Å | ||
| 1872 | T | 90.8 | Very high | 88.8 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | trans | -99.1 | -25.8 | -174.1 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | P1870 Y1886 L1888 | P1870-T1872 PolarHBondContact O-N 2.99Å; T1872-Y1886 PolarHBondContact N-O 2.82Å; T1872-Y1886 WeakPolarHBondContact OG1-CD1 3.38Å; T1872-Y1886 PolarHBondContact OG1-O 2.64Å; T1872-L1888 HydrophobicContact CG2-CB 3.83Å; T1872-L1888 PolarHBondContact OG1-N 3.41Å | ||
| 1873 | A | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1831 T1885 Y1886 I1961 | H1831-A1873 CarbonylContact O-C 3.56Å; H1831-A1873 VanDerWaalsContact O-CA 3.27Å; H1831-A1873 WeakPolarHBondContact O-CA 3.4Å; A1873-T1885 CarbonylContact O-C 3.58Å; A1873-T1885 WeakPolarHBondContact O-CA 3.36Å; A1873-Y1886 PolarHBondContact N-O 2.55Å; A1873-Y1886 PolarHBondContact O-N 3.19Å; A1873-I1961 HydrophobicContact CB-CD1 3.91Å; A1873-I1961 HydrophobicContact CB-CG1 3.8Å |
| 1874 | I | 94.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.2 | 174.3 | -59.7 | -167.4 | 0 | 0 | 0 | 109.2 | H1831 A1832 C1843 G1845 L1851 V1871 V1883 A1884 T1885 | H1831-I1874 PolarHBondContact O-N 3.37Å; A1832-I1874 WeakPolarHBondContact O-CD1 3.49Å; C1843-I1874 HydrophobicContact CB-CG2 4.11Å; G1845-I1874 VanDerWaalsContact N-CD1 3.29Å; L1851-I1874 HydrophobicContact CD2-CD1 3.65Å; V1871-I1874 HydrophobicContact CG1-CD1 4.03Å; V1871-I1874 HydrophobicContact CG1-CG1 3.75Å; I1874-V1883 HydrophobicContact CG2-CG1 3.68Å; I1874-A1884 CarbonylContact C-O 3.58Å; I1874-A1884 VanDerWaalsContact CA-O 3.32Å; I1874-A1884 WeakPolarHBondContact CA-O 3.41Å; I1874-T1885 HydrophobicContact CD1-CG2 4.29Å; I1874-T1885 HydrophobicContact CG1-CG2 4.05Å; I1874-T1885 HydrophobicContact CG2-CG2 4.36Å |
| 1875 | C | 93.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 14% | 0.142 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 133.1 | 171.6 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | V1883 A1884 I1961 | C1875-V1883 CarbonylContact O-C 3.6Å; C1875-V1883 WeakPolarHBondContact O-CA 3.28Å; C1875-A1884 PolarHBondContact N-O 2.75Å; C1875-A1884 PolarHBondContact O-N 3.3Å; C1875-I1961 HydrophobicContact CB-CB 3.73Å; C1875-I1961 HydrophobicContact CB-CG2 3.39Å |
| 1876 | F | 91.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 34 Ų | 34 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.7 | 163.9 | -82.9 | -94 | 0 | 0 | 0 | 110.8 | S1834 H1836 K1841 C1843 V1883 L1898 | S1834-F1876 WeakPolarHBondContact O-CE2 3.46Å; S1834-F1876 PolarHBondContact OG-N 3.03Å; H1836-F1876 HydrophobicContact CB-CB 4.17Å; H1836-F1876 HydrophobicContact CB-CD1 3.82Å; H1836-F1876 HydrophobicContact CB-CD2 4.27Å; H1836-F1876 HydrophobicContact CB-CE1 4.22Å; H1836-F1876 HydrophobicContact CB-CG 3.84Å; K1841-F1876 HydrophobicContact CB-CE1 4.16Å; K1841-F1876 HydrophobicContact CB-CZ 3.93Å; C1843-F1876 HydrophobicContact CB-CE2 3.86Å; C1843-F1876 HydrophobicContact CB-CZ 4.22Å; F1876-V1883 HydrophobicContact CD1-CG2 3.37Å; F1876-V1883 HydrophobicContact CD2-CG2 3.97Å; F1876-V1883 HydrophobicContact CE1-CG2 3.4Å; F1876-V1883 VanDerWaalsContact CE1-CG2 3.4Å; F1876-V1883 HydrophobicContact CE2-CG2 3.96Å; F1876-V1883 HydrophobicContact CG-CG2 3.68Å; F1876-V1883 HydrophobicContact CZ-CG2 3.7Å; F1876-L1898 HydrophobicContact CD1-CD1 4.26Å; F1876-L1898 HydrophobicContact CE1-CD1 3.52Å; F1876-L1898 HydrophobicContact CZ-CD1 4.28Å |
| 1877 | N | 89.9 | Confident | 90.4 | Very high | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | trans | -72.3 | 167.5 | 165.7 | 74.9 | -25.4 | 0 | 0 | 0 | 111.5 | D1879 G1880 R1881 Q1882 W1963 | N1877-D1879 VanDerWaalsContact CG-OD1 3.28Å; N1877-D1879 PolarHBondContact ND2-OD1 2.92Å; N1877-D1879 PolarHBondContact O-N 3.3Å; N1877-D1879 VanDerWaalsContact O-N 3.11Å; N1877-D1879 PolarHBondContact OD1-OD1 2.9Å; N1877-D1879 VanDerWaalsContact OD1-OD1 3.07Å; N1877-G1880 PolarHBondContact O-N 2.93Å; N1877-G1880 WeakPolarHBondContact OD1-CA 3.2Å; N1877-G1880 PolarHBondContact OD1-N 2.86Å; N1877-R1881 PolarHBondContact OD1-N 2.82Å; N1877-R1881 VanDerWaalsContact OD1-N 3.1Å; N1877-Q1882 HydrophobicContact CB-CB 4.32Å; N1877-Q1882 PolarHBondContact N-O 3.16Å; N1877-Q1882 PolarHBondContact OD1-N 2.9Å; N1877-Q1882 PolarHBondContact OD1-O 3.05Å; N1877-W1963 HydrophobicContact CB-CD2 3.88Å; N1877-W1963 HydrophobicContact CB-CE3 3.72Å; N1877-W1963 HydrophobicContact CB-CH2 3.82Å; N1877-W1963 HydrophobicContact CB-CZ2 3.95Å; N1877-W1963 HydrophobicContact CB-CZ3 3.67Å | ||
| 1878 | S | 85.9 | Confident | 90.2 | Very high | 101 Ų | 101 | 35.4 Ų | 35.4 | 71% | 0.706 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -8.4 | -174.6 | 55.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1879 | D | 85.9 | Confident | 90.2 | Very high | 72 Ų | 72 | 30.2 Ų | 30.2 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4.5 | 169.8 | 87.1 | -15 | 0 | 0 | 0 | 113.9 | L1839 N1877 R1881 | L1839-D1879 WeakPolarHBondContact CD1-O 3.21Å; N1877-D1879 VanDerWaalsContact CG-OD1 3.28Å; N1877-D1879 PolarHBondContact ND2-OD1 2.92Å; N1877-D1879 PolarHBondContact O-N 3.3Å; N1877-D1879 VanDerWaalsContact O-N 3.11Å; N1877-D1879 PolarHBondContact OD1-OD1 2.9Å; N1877-D1879 VanDerWaalsContact OD1-OD1 3.07Å; D1879-R1881 PolarHBondContact O-N 2.99Å; D1879-R1881 VanDerWaalsContact OD1-CB 3.23Å; D1879-R1881 WeakPolarHBondContact OD1-CB 3.38Å; D1879-R1881 WeakPolarHBondContact OD1-CG 3.29Å; D1879-R1881 PolarHBondContact OD1-N 3.38Å; D1879-R1881 WeakPolarHBondContact OD2-CD 3.49Å; D1879-R1881 WeakPolarHBondContact OD2-CG 3.27Å; D1879-R1881 IonicContact OD2-NE 2.62Å |
| 1880 | G | 84.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 69.9 | 5.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1836 L1839 N1877 | H1836-G1880 PolarHBondContact NE2-N 2.82Å; L1839-G1880 WeakPolarHBondContact CD1-O 3.46Å; N1877-G1880 PolarHBondContact O-N 2.93Å; N1877-G1880 WeakPolarHBondContact OD1-CA 3.2Å; N1877-G1880 PolarHBondContact OD1-N 2.86Å |
| 1881 | R | 86.2 | Confident | 90.4 | Very high | 151 Ų | 151 | 30.9 Ų | 30.9 | 57% | 0.57 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -87.2 | -13.8 | -180 | -58.4 | -175.9 | -179.1 | -179.3 | -4.1 | 113.1 | N1877 D1879 L1898 | N1877-R1881 PolarHBondContact OD1-N 2.82Å; N1877-R1881 VanDerWaalsContact OD1-N 3.1Å; D1879-R1881 PolarHBondContact O-N 2.99Å; D1879-R1881 VanDerWaalsContact OD1-CB 3.23Å; D1879-R1881 WeakPolarHBondContact OD1-CB 3.38Å; D1879-R1881 WeakPolarHBondContact OD1-CG 3.29Å; D1879-R1881 PolarHBondContact OD1-N 3.38Å; D1879-R1881 WeakPolarHBondContact OD2-CD 3.49Å; D1879-R1881 WeakPolarHBondContact OD2-CG 3.27Å; D1879-R1881 IonicContact OD2-NE 2.62Å; R1881-L1898 PolarHBondContact O-N 3.07Å |
| 1882 | Q | 90.8 | Very high | 90.3 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 20% | 0.201 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.7 | 175.4 | -58.8 | 176.8 | -16.4 | 0 | 0 | 111.2 | N1877 I1895 W1896 L1914 W1963 | N1877-Q1882 HydrophobicContact CB-CB 4.32Å; N1877-Q1882 PolarHBondContact N-O 3.16Å; N1877-Q1882 PolarHBondContact OD1-N 2.9Å; N1877-Q1882 PolarHBondContact OD1-O 3.05Å; Q1882-I1895 HydrophobicContact CB-CG2 4.46Å; Q1882-W1896 CarbonylContact C-O 3.6Å; Q1882-W1896 WeakPolarHBondContact CA-O 3.47Å; Q1882-L1914 HydrophobicContact CG-CD1 4.18Å; Q1882-L1914 VanDerWaalsContact NE2-CD1 3.28Å; Q1882-W1963 HydrophobicContact CB-CH2 3.62Å; Q1882-W1963 HydrophobicContact CB-CZ2 4.49Å; Q1882-W1963 HydrophobicContact CB-CZ3 4.19Å |
| 1883 | V | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.4 | 172.6 | 170.5 | 0 | 0 | 0 | 0 | 108.5 | F1853 I1874 C1875 F1876 T1885 I1895 W1896 L1898 | F1853-V1883 HydrophobicContact CE1-CB 4.2Å; F1853-V1883 HydrophobicContact CE1-CG1 4.38Å; F1853-V1883 HydrophobicContact CE1-CG2 4.07Å; I1874-V1883 HydrophobicContact CG2-CG1 3.68Å; C1875-V1883 CarbonylContact O-C 3.6Å; C1875-V1883 WeakPolarHBondContact O-CA 3.28Å; F1876-V1883 HydrophobicContact CD1-CG2 3.37Å; F1876-V1883 HydrophobicContact CD2-CG2 3.97Å; F1876-V1883 HydrophobicContact CE1-CG2 3.4Å; F1876-V1883 VanDerWaalsContact CE1-CG2 3.4Å; F1876-V1883 HydrophobicContact CE2-CG2 3.96Å; F1876-V1883 HydrophobicContact CG-CG2 3.68Å; F1876-V1883 HydrophobicContact CZ-CG2 3.7Å; V1883-T1885 HydrophobicContact CG1-CG2 3.89Å; V1883-I1895 CarbonylContact O-C 3.57Å; V1883-W1896 PolarHBondContact N-O 2.9Å; V1883-W1896 PolarHBondContact O-N 2.83Å; V1883-L1898 HydrophobicContact CG2-CD1 3.75Å |
| 1884 | A | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1874 C1875 L1893 R1894 I1895 I1961 W1963 L1969 | I1874-A1884 CarbonylContact C-O 3.58Å; I1874-A1884 VanDerWaalsContact CA-O 3.32Å; I1874-A1884 WeakPolarHBondContact CA-O 3.41Å; C1875-A1884 PolarHBondContact N-O 2.75Å; C1875-A1884 PolarHBondContact O-N 3.3Å; A1884-L1893 HydrophobicContact CB-CD1 4.38Å; A1884-R1894 CarbonylContact C-O 3.24Å; A1884-R1894 WeakPolarHBondContact CA-O 3.4Å; A1884-I1895 HydrophobicContact CB-CD1 3.59Å; A1884-I1961 HydrophobicContact CB-CD1 4.14Å; A1884-I1961 HydrophobicContact CB-CG2 4.39Å; A1884-W1963 HydrophobicContact CB-CE3 3.8Å; A1884-W1963 HydrophobicContact CB-CH2 4.33Å; A1884-W1963 HydrophobicContact CB-CZ3 3.62Å; A1884-L1969 HydrophobicContact CB-CD1 3.37Å |
| 1885 | T | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.1 | 178.2 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | L1851 H1867 A1873 I1874 V1883 L1893 R1894 W1896 | L1851-T1885 HydrophobicContact CD1-CG2 3.8Å; L1851-T1885 HydrophobicContact CD2-CG2 3.69Å; L1851-T1885 HydrophobicContact CG-CG2 4.42Å; H1867-T1885 PolarHBondContact NE2-OG1 2.81Å; A1873-T1885 CarbonylContact O-C 3.58Å; A1873-T1885 WeakPolarHBondContact O-CA 3.36Å; I1874-T1885 HydrophobicContact CD1-CG2 4.29Å; I1874-T1885 HydrophobicContact CG1-CG2 4.05Å; I1874-T1885 HydrophobicContact CG2-CG2 4.36Å; V1883-T1885 HydrophobicContact CG1-CG2 3.89Å; T1885-L1893 CarbonylContact O-C 3.39Å; T1885-L1893 WeakPolarHBondContact O-CA 3.29Å; T1885-R1894 PolarHBondContact N-O 2.92Å; T1885-R1894 PolarHBondContact O-N 2.65Å; T1885-W1896 PolarHBondContact OG1-NE1 2.92Å |
| 1886 | Y | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.7 | 178.1 | 179.6 | -108.3 | 0 | 0 | 0 | 110.7 | T1872 A1873 L1888 T1892 L1893 V1919 L1922 V1959 L1971 | T1872-Y1886 PolarHBondContact N-O 2.82Å; T1872-Y1886 WeakPolarHBondContact OG1-CD1 3.38Å; T1872-Y1886 PolarHBondContact OG1-O 2.64Å; A1873-Y1886 PolarHBondContact N-O 2.55Å; A1873-Y1886 PolarHBondContact O-N 3.19Å; Y1886-L1888 HydrophobicContact CE1-CB 4.01Å; Y1886-L1888 HydrophobicContact CE1-CD1 4.27Å; Y1886-T1892 WeakPolarHBondContact CA-O 3.28Å; Y1886-T1892 VanDerWaalsContact CD2-C 3.49Å; Y1886-T1892 WeakPolarHBondContact CD2-O 3.45Å; Y1886-L1893 HydrophobicContact CD2-CB 4.27Å; Y1886-V1919 HydrophobicContact CD2-CG2 4.38Å; Y1886-V1919 HydrophobicContact CE2-CB 4.05Å; Y1886-V1919 HydrophobicContact CE2-CG2 3.92Å; Y1886-L1922 HydrophobicContact CE1-CD1 3.9Å; Y1886-L1922 WeakPolarHBondContact OH-CD1 3.44Å; Y1886-V1959 HydrophobicContact CD1-CG1 3.84Å; Y1886-V1959 HydrophobicContact CE1-CG1 3.89Å; Y1886-L1971 HydrophobicContact CD1-CD1 4.42Å; Y1886-L1971 HydrophobicContact CD1-CD2 3.79Å; Y1886-L1971 HydrophobicContact CD2-CD1 3.52Å; Y1886-L1971 HydrophobicContact CD2-CD2 4.38Å; Y1886-L1971 HydrophobicContact CE1-CD2 4.07Å; Y1886-L1971 HydrophobicContact CE2-CD1 3.79Å; Y1886-L1971 HydrophobicContact CG-CD1 3.88Å; Y1886-L1971 HydrophobicContact CG-CD2 3.97Å; Y1886-L1971 HydrophobicContact CG-CG 4.48Å |
| 1887 | S | 92 | Very high | 90 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.3 | 167.1 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | H1867 G1869 P1870 A1889 E1890 S1891 T1892 | H1867-S1887 WeakPolarHBondContact ND1-CB 3.39Å; G1869-S1887 PolarHBondContact O-OG 3.15Å; P1870-S1887 WeakPolarHBondContact O-CA 3.44Å; P1870-S1887 VanDerWaalsContact O-CB 3.24Å; P1870-S1887 WeakPolarHBondContact O-CB 3.39Å; P1870-S1887 PolarHBondContact O-OG 3.27Å; S1887-A1889 PolarHBondContact O-N 2.74Å; S1887-E1890 PolarHBondContact O-N 3.43Å; S1887-E1890 PolarHBondContact OG-N 3.19Å; S1887-S1891 WeakPolarHBondContact O-CA 3.49Å; S1887-S1891 PolarHBondContact O-N 2.83Å; S1887-T1892 PolarHBondContact N-O 2.98Å; S1887-T1892 VanDerWaalsContact N-O 3.16Å; S1887-T1892 PolarHBondContact O-N 3.29Å |
| 1888 | L | 87.8 | Confident | 89.7 | Confident | 38 Ų | 38 | 33.6 Ų | 33.6 | 20% | 0.199 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.9 | 174.3 | 179.9 | 61.8 | 0 | 0 | 0 | 112.2 | T1872 Y1886 S1891 L1922 L1957 V1959 | T1872-L1888 HydrophobicContact CG2-CB 3.83Å; T1872-L1888 PolarHBondContact OG1-N 3.41Å; Y1886-L1888 HydrophobicContact CE1-CB 4.01Å; Y1886-L1888 HydrophobicContact CE1-CD1 4.27Å; L1888-S1891 PolarHBondContact O-N 2.83Å; L1888-L1922 HydrophobicContact CD1-CB 4.08Å; L1888-L1922 HydrophobicContact CD1-CD1 4.16Å; L1888-L1957 HydrophobicContact CD1-CD2 3.84Å; L1888-L1957 HydrophobicContact CD2-CB 4.38Å; L1888-L1957 HydrophobicContact CD2-CD2 4.03Å; L1888-V1959 HydrophobicContact CD1-CG2 4.4Å; L1888-V1959 HydrophobicContact CD2-CG2 4.33Å |
| 1889 | A | 85.8 | Confident | 89.2 | Confident | 76 Ų | 76 | 33 Ų | 33 | 63% | 0.628 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -34.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1870 S1887 | P1870-A1889 HydrophobicContact CG-CB 4.27Å; S1887-A1889 PolarHBondContact O-N 2.74Å |
| 1890 | E | 88.7 | Confident | 87.9 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -19.6 | 170.7 | -65.2 | -165.9 | 147.4 | 0 | 0 | 113.2 | H1867 K1868 S1887 T1892 R1894 | H1867-E1890 IonicContact CE1-OE2 2.69Å; H1867-E1890 IonicContact CG-OE2 2.66Å; H1867-E1890 IonicContact ND1-OE2 3.13Å; H1867-E1890 PolarHBondContact ND1-OE2 3.02Å; K1868-E1890 WeakPolarHBondContact CB-OE1 3.09Å; K1868-E1890 PolarHBondContact N-OE1 3.49Å; S1887-E1890 PolarHBondContact O-N 3.43Å; S1887-E1890 PolarHBondContact OG-N 3.19Å; E1890-T1892 HydrophobicContact CB-CG2 4.09Å; E1890-T1892 PolarHBondContact O-N 2.94Å; E1890-T1892 PolarHBondContact OE2-OG1 3.21Å; E1890-R1894 IonicContact OE1-NH2 2.91Å; E1890-R1894 PolarHBondContact OE1-NH2 3.01Å; E1890-R1894 IonicContact OE2-CZ 2.69Å; E1890-R1894 IonicContact OE2-NE 3.95Å; E1890-R1894 PolarHBondContact OE2-NE 3.26Å; E1890-R1894 IonicContact OE2-NH2 3.59Å; E1890-R1894 PolarHBondContact OE2-NH2 2.97Å |
| 1891 | S | 88.9 | Confident | 86.5 | Confident | 35 Ų | 35 | 36 Ų | 36 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 27.2 | -163.2 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | S1887 L1888 V1919 | S1887-S1891 WeakPolarHBondContact O-CA 3.49Å; S1887-S1891 PolarHBondContact O-N 2.83Å; L1888-S1891 PolarHBondContact O-N 2.83Å; S1891-V1919 WeakPolarHBondContact CB-O 3.3Å; S1891-V1919 WeakPolarHBondContact O-CA 3.41Å; S1891-V1919 WeakPolarHBondContact O-CB 3.29Å; S1891-V1919 PolarHBondContact O-N 3.14Å; S1891-V1919 PolarHBondContact OG-O 2.94Å |
| 1892 | T | 90.9 | Very high | 84.8 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 14% | 0.135 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.6 | 177.3 | 74.7 | 0 | 0 | 0 | 0 | 113 | H1867 Y1886 S1887 E1890 R1894 I1916 | H1867-T1892 PolarHBondContact CE1-O 3.21Å; H1867-T1892 PolarHBondContact CE1-OG1 2.87Å; H1867-T1892 PolarHBondContact ND1-OG1 3.27Å; Y1886-T1892 WeakPolarHBondContact CA-O 3.28Å; Y1886-T1892 VanDerWaalsContact CD2-C 3.49Å; Y1886-T1892 WeakPolarHBondContact CD2-O 3.45Å; S1887-T1892 PolarHBondContact N-O 2.98Å; S1887-T1892 VanDerWaalsContact N-O 3.16Å; S1887-T1892 PolarHBondContact O-N 3.29Å; E1890-T1892 HydrophobicContact CB-CG2 4.09Å; E1890-T1892 PolarHBondContact O-N 2.94Å; E1890-T1892 PolarHBondContact OE2-OG1 3.21Å; T1892-R1894 PolarHBondContact OG1-NE 2.86Å; T1892-I1916 HydrophobicContact CG2-CG2 4.45Å |
| 1893 | L | 92.3 | Very high | 83 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 137.7 | 162.2 | -179.6 | 81.1 | 0 | 0 | 0 | 108.3 | A1884 T1885 Y1886 I1895 H1917 V1919 I1961 L1969 L1971 I1981 L1983 | A1884-L1893 HydrophobicContact CB-CD1 4.38Å; T1885-L1893 CarbonylContact O-C 3.39Å; T1885-L1893 WeakPolarHBondContact O-CA 3.29Å; Y1886-L1893 HydrophobicContact CD2-CB 4.27Å; L1893-I1895 HydrophobicContact CD2-CD1 4.39Å; L1893-H1917 HydrophobicContact CB-CB 4.33Å; L1893-H1917 PolarHBondContact N-O 2.69Å; L1893-H1917 PolarHBondContact O-N 2.94Å; L1893-V1919 HydrophobicContact CB-CG2 4.01Å; L1893-I1961 HydrophobicContact CD1-CD1 3.8Å; L1893-I1961 HydrophobicContact CD1-CG1 4.36Å; L1893-L1969 HydrophobicContact CD1-CD1 4.47Å; L1893-L1969 HydrophobicContact CD1-CD2 3.98Å; L1893-L1969 HydrophobicContact CD2-CD1 4.29Å; L1893-L1969 HydrophobicContact CD2-CD2 3.87Å; L1893-L1971 HydrophobicContact CB-CD1 4.49Å; L1893-L1971 HydrophobicContact CD1-CD1 4.22Å; L1893-I1981 HydrophobicContact CD2-CD1 3.94Å; L1893-I1981 HydrophobicContact CD2-CG2 4.1Å; L1893-L1983 HydrophobicContact CD2-CD2 4.19Å |
| 1894 | R | 92.9 | Very high | 81.2 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.8 | 177.6 | -58.3 | -177.6 | -172.7 | -151.6 | 4.1 | 109.7 | G1866 H1867 A1884 T1885 E1890 T1892 W1896 S1915 I1916 | G1866-R1894 WeakPolarHBondContact O-CD 3.17Å; G1866-R1894 PolarHBondContact O-NE 2.69Å; G1866-R1894 PolarHBondContact O-NH1 2.91Å; H1867-R1894 PolarHBondContact ND1-NE 3.39Å; A1884-R1894 CarbonylContact C-O 3.24Å; A1884-R1894 WeakPolarHBondContact CA-O 3.4Å; T1885-R1894 PolarHBondContact N-O 2.92Å; T1885-R1894 PolarHBondContact O-N 2.65Å; E1890-R1894 IonicContact OE1-NH2 2.91Å; E1890-R1894 PolarHBondContact OE1-NH2 3.01Å; E1890-R1894 IonicContact OE2-CZ 2.69Å; E1890-R1894 IonicContact OE2-NE 3.95Å; E1890-R1894 PolarHBondContact OE2-NE 3.26Å; E1890-R1894 IonicContact OE2-NH2 3.59Å; E1890-R1894 PolarHBondContact OE2-NH2 2.97Å; T1892-R1894 PolarHBondContact OG1-NE 2.86Å; R1894-W1896 HydrophobicContact CB-CZ2 4.1Å; R1894-S1915 WeakPolarHBondContact CA-O 3.31Å; R1894-I1916 HydrophobicContact CG-CB 4.5Å; R1894-I1916 HydrophobicContact CG-CG1 4.1Å; R1894-I1916 HydrophobicContact CG-CG2 4.16Å |
| 1895 | I | 92.2 | Very high | 79.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.4 | 173.5 | -52.2 | -58.4 | 0 | 0 | 0 | 108.7 | Q1882 V1883 A1884 L1893 L1914 S1915 W1963 L1969 L1983 | Q1882-I1895 HydrophobicContact CB-CG2 4.46Å; V1883-I1895 CarbonylContact O-C 3.57Å; A1884-I1895 HydrophobicContact CB-CD1 3.59Å; L1893-I1895 HydrophobicContact CD2-CD1 4.39Å; I1895-L1914 HydrophobicContact CB-CB 4.11Å; I1895-L1914 HydrophobicContact CG2-CB 3.99Å; I1895-L1914 HydrophobicContact CG2-CD1 4.01Å; I1895-L1914 PolarHBondContact O-N 2.78Å; I1895-S1915 WeakPolarHBondContact CG1-OG 3.31Å; I1895-S1915 PolarHBondContact N-O 3.21Å; I1895-W1963 HydrophobicContact CD1-CH2 4.17Å; I1895-W1963 HydrophobicContact CG2-CH2 4.11Å; I1895-L1969 HydrophobicContact CD1-CD1 4.15Å; I1895-L1983 HydrophobicContact CD1-CD1 4Å; I1895-L1983 HydrophobicContact CD1-CD2 3.87Å; I1895-L1983 HydrophobicContact CG1-CD1 4.38Å; I1895-L1983 HydrophobicContact CG1-CD2 4.01Å |
| 1896 | W | 91.4 | Very high | 77.2 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.9 | -176.7 | -56.7 | 90.2 | 0 | 0 | 0 | 109.8 | L1851 G1866 Q1882 V1883 T1885 R1894 V1911 K1912 P1913 | L1851-W1896 HydrophobicContact CD1-CD2 4.19Å; L1851-W1896 HydrophobicContact CD1-CH2 4.48Å; L1851-W1896 HydrophobicContact CD1-CZ2 3.74Å; G1866-W1896 VanDerWaalsContact CA-CZ2 3.45Å; G1866-W1896 WeakPolarHBondContact O-CZ2 3.5Å; Q1882-W1896 CarbonylContact C-O 3.6Å; Q1882-W1896 WeakPolarHBondContact CA-O 3.47Å; V1883-W1896 PolarHBondContact N-O 2.9Å; V1883-W1896 PolarHBondContact O-N 2.83Å; T1885-W1896 PolarHBondContact OG1-NE1 2.92Å; R1894-W1896 HydrophobicContact CB-CZ2 4.1Å; W1896-V1911 HydrophobicContact CB-CG1 3.97Å; W1896-V1911 HydrophobicContact CD2-CG1 4.24Å; W1896-V1911 HydrophobicContact CE3-CG1 3.58Å; W1896-V1911 HydrophobicContact CG-CG1 4.43Å; W1896-V1911 HydrophobicContact CZ3-CG1 4.45Å; W1896-K1912 WeakPolarHBondContact CA-O 3.3Å; W1896-P1913 HydrophobicContact CE3-CB 3.91Å; W1896-P1913 HydrophobicContact CH2-CB 4.21Å; W1896-P1913 HydrophobicContact CZ3-CB 3.71Å; W1896-P1913 HydrophobicContact CZ3-CG 4.13Å |
| 1897 | Q | 89.4 | Confident | 75.2 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.4 | 173.9 | -168.9 | 155.7 | 8.7 | 0 | 0 | 111.4 | V1911 K1912 L1914 | Q1897-V1911 WeakPolarHBondContact O-CA 3.33Å; Q1897-K1912 PolarHBondContact N-O 2.56Å; Q1897-K1912 PolarHBondContact O-N 3.32Å; Q1897-L1914 HydrophobicContact CB-CD1 3.83Å; Q1897-L1914 HydrophobicContact CB-CG 4.06Å; Q1897-L1914 HydrophobicContact CG-CD1 4.48Å |
| 1898 | L | 84 | Confident | 73.4 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 101.3 | 176.7 | -78.6 | 149.8 | 0 | 0 | 0 | 110 | K1841 F1853 F1876 R1881 V1883 T1900 V1911 | K1841-L1898 HydrophobicContact CD-CD2 4.26Å; F1853-L1898 HydrophobicContact CD1-CD1 4.49Å; F1853-L1898 HydrophobicContact CD1-CD2 3.86Å; F1853-L1898 HydrophobicContact CE1-CD1 4.34Å; F1853-L1898 HydrophobicContact CE1-CD2 4.18Å; F1853-L1898 HydrophobicContact CE1-CG 4.4Å; F1876-L1898 HydrophobicContact CD1-CD1 4.26Å; F1876-L1898 HydrophobicContact CE1-CD1 3.52Å; F1876-L1898 HydrophobicContact CZ-CD1 4.28Å; R1881-L1898 PolarHBondContact O-N 3.07Å; V1883-L1898 HydrophobicContact CG2-CD1 3.75Å; L1898-T1900 PolarHBondContact O-N 2.93Å; L1898-V1911 HydrophobicContact CB-CG2 4.38Å; L1898-V1911 HydrophobicContact CD2-CG2 3.35Å; L1898-V1911 HydrophobicContact CG-CG2 3.68Å |
| 1899 | H | 73.6 | Confident | 72.1 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.6 | 170.6 | -69.3 | -85.5 | 0 | 0 | 0 | 110.3 | T1901 Q1910 | H1899-T1901 PolarHBondContact O-N 3.12Å; H1899-Q1910 PolarHBondContact N-O 3.06Å |
| 1900 | T | 59 | Low | 71.2 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 60% | 0.595 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 131.6 | 160.5 | -53.2 | 0 | 0 | 0 | 0 | 108.3 | L1898 | L1898-T1900 PolarHBondContact O-N 2.93Š|
| 1901 | T | 55.9 | Low | 70.6 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 147.2 | -174.1 | 51.7 | 0 | 0 | 0 | 0 | 112 | H1899 G1907 Q1909 | H1899-T1901 PolarHBondContact O-N 3.12Å; T1901-G1907 WeakPolarHBondContact CG2-O 3.4Å; T1901-Q1909 HydrophobicContact CG2-CG 3.78Å |
| 1902 | G | 50 | Low | 70.3 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1904 G1905 | G1902-F1904 PolarHBondContact O-N 3.14Å; G1902-G1905 PolarHBondContact O-N 3.04Å |
| 1903 | F | 53.1 | Low | 70 | Confident | 213 Ų | 213 | 73.3 Ų | 73.3 | 93% | 0.934 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -10.4 | -161.9 | -114.4 | -92.8 | 0 | 0 | 0 | 118.6 | ||
| 1904 | F | 55.8 | Low | 69.8 | Low | 192 Ų | 192 | 77.2 Ų | 77.2 | 84% | 0.842 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 13.4 | 178 | -74.1 | -81.4 | 0 | 0 | 0 | 114.4 | G1902 M1906 | G1902-F1904 PolarHBondContact O-N 3.14Å; F1904-M1906 PolarHBondContact O-N 3.24Å |
| 1905 | G | 54.4 | Low | 69.6 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 71.5 | -8.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1902 G1907 | G1902-G1905 PolarHBondContact O-N 3.04Å; G1905-G1907 PolarHBondContact O-N 2.86Å |
| 1906 | M | 49.1 | Very low | 69.4 | Low | 185 Ų | 185 | 81.2 Ų | 81.2 | 91% | 0.911 | 46% | 0.458 | S | S | * | . | trans | -76 | 88.8 | 172.4 | -70.7 | -176 | 68.6 | 0 | 0 | 111.1 | F1904 | F1904-M1906 PolarHBondContact O-N 3.24Š| ||
| 1907 | G | 51.2 | Low | 69.3 | Low | 48 Ų | 48 | 82.5 Ų | 82.5 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | S | Bend | trans | 164.7 | 141.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1901 G1905 | T1901-G1907 WeakPolarHBondContact CG2-O 3.4Å; G1905-G1907 PolarHBondContact O-N 2.86Å |
| 1908 | G | 55.3 | Low | 69.2 | Low | 61 Ų | 61 | 84.9 Ų | 84.9 | 63% | 0.629 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 153.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1910 | G1908-Q1910 PolarHBondContact O-N 3.16Š|
| 1909 | Q | 60.9 | Low | 69.3 | Low | 41 Ų | 41 | 84.9 Ų | 84.9 | 19% | 0.192 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 124 | 168.1 | -79.4 | -166.1 | 12.2 | 0 | 0 | 109.1 | K1841 D1855 F1862 T1901 | K1841-Q1909 VanDerWaalsContact NZ-CD 3.26Å; K1841-Q1909 VanDerWaalsContact NZ-NE2 3.16Å; D1855-Q1909 PolarHBondContact OD2-NE2 3.21Å; F1862-Q1909 HydrophobicContact CD1-CB 4.36Å; F1862-Q1909 HydrophobicContact CE1-CB 4.1Å; T1901-Q1909 HydrophobicContact CG2-CG 3.78Å |
| 1910 | Q | 67.1 | Low | 69.5 | Low | 120 Ų | 120 | 84.8 Ų | 84.8 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.2 | 170.4 | -67.8 | -170 | 0.5 | 0 | 0 | 108.7 | H1899 G1908 | H1899-Q1910 PolarHBondContact N-O 3.06Å; G1908-Q1910 PolarHBondContact O-N 3.16Å |
| 1911 | V | 76.2 | Confident | 70.2 | Confident | 25 Ų | 25 | 84.6 Ų | 84.6 | 15% | 0.152 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.7 | 158.9 | 155.1 | 0 | 0 | 0 | 0 | 108.4 | F1853 F1862 W1896 Q1897 L1898 | F1853-V1911 HydrophobicContact CE1-CG2 4.4Å; F1853-V1911 HydrophobicContact CE2-CG1 4.27Å; F1853-V1911 HydrophobicContact CZ-CG1 4.23Å; F1853-V1911 HydrophobicContact CZ-CG2 4.35Å; F1862-V1911 HydrophobicContact CE1-CG2 4.5Å; F1862-V1911 HydrophobicContact CE2-CB 4.06Å; F1862-V1911 HydrophobicContact CE2-CG2 4.26Å; F1862-V1911 HydrophobicContact CZ-CB 3.83Å; F1862-V1911 HydrophobicContact CZ-CG2 3.55Å; W1896-V1911 HydrophobicContact CB-CG1 3.97Å; W1896-V1911 HydrophobicContact CD2-CG1 4.24Å; W1896-V1911 HydrophobicContact CE3-CG1 3.58Å; W1896-V1911 HydrophobicContact CG-CG1 4.43Å; W1896-V1911 HydrophobicContact CZ3-CG1 4.45Å; Q1897-V1911 WeakPolarHBondContact O-CA 3.33Å; L1898-V1911 HydrophobicContact CB-CG2 4.38Å; L1898-V1911 HydrophobicContact CD2-CG2 3.35Å; L1898-V1911 HydrophobicContact CG-CG2 3.68Å |
| 1912 | K | 82.6 | Confident | 71 | Confident | 116 Ų | 116 | 83 Ų | 83 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.8 | 171 | -72.1 | -175.1 | 175 | -177.7 | 0 | 109.5 | W1896 Q1897 L1914 | W1896-K1912 WeakPolarHBondContact CA-O 3.3Å; Q1897-K1912 PolarHBondContact N-O 2.56Å; Q1897-K1912 PolarHBondContact O-N 3.32Å; K1912-L1914 PolarHBondContact O-N 2.84Å |
| 1913 | P | 83.8 | Confident | 71.7 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 133.3 | 163.1 | 28.1 | -31.7 | 0 | 0 | 0 | 108.6 | W1896 | W1896-P1913 HydrophobicContact CE3-CB 3.91Å; W1896-P1913 HydrophobicContact CH2-CB 4.21Å; W1896-P1913 HydrophobicContact CZ3-CB 3.71Å; W1896-P1913 HydrophobicContact CZ3-CG 4.13Å |
| 1914 | L | 87.8 | Confident | 71.6 | Confident | 82 Ų | 82 | 80.3 Ų | 80.3 | 43% | 0.429 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -47.6 | -179.7 | -120.9 | 175.5 | 0 | 0 | 0 | 110.5 | Q1882 I1895 Q1897 K1912 | Q1882-L1914 HydrophobicContact CG-CD1 4.18Å; Q1882-L1914 VanDerWaalsContact NE2-CD1 3.28Å; I1895-L1914 HydrophobicContact CB-CB 4.11Å; I1895-L1914 HydrophobicContact CG2-CB 3.99Å; I1895-L1914 HydrophobicContact CG2-CD1 4.01Å; I1895-L1914 PolarHBondContact O-N 2.78Å; Q1897-L1914 HydrophobicContact CB-CD1 3.83Å; Q1897-L1914 HydrophobicContact CB-CG 4.06Å; Q1897-L1914 HydrophobicContact CG-CD1 4.48Å; K1912-L1914 PolarHBondContact O-N 2.84Å |
| 1915 | S | 88.1 | Confident | 71.1 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 25% | 0.252 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 157.1 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | R1894 I1895 H1917 | R1894-S1915 WeakPolarHBondContact CA-O 3.31Å; I1895-S1915 WeakPolarHBondContact CG1-OG 3.31Å; I1895-S1915 PolarHBondContact N-O 3.21Å; S1915-H1917 PolarHBondContact OG-NE2 2.81Å |
| 1916 | I | 89.7 | Confident | 70.8 | Confident | 95 Ų | 95 | 78.5 Ų | 78.5 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.2 | 173.6 | -56.1 | -176.8 | 0 | 0 | 0 | 107 | T1892 R1894 | T1892-I1916 HydrophobicContact CG2-CG2 4.45Å; R1894-I1916 HydrophobicContact CG-CB 4.5Å; R1894-I1916 HydrophobicContact CG-CG1 4.1Å; R1894-I1916 HydrophobicContact CG-CG2 4.16Å |
| 1917 | H | 88.8 | Confident | 70.6 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 18% | 0.181 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112 | -179.6 | -59.5 | -96 | 0 | 0 | 0 | 108.5 | L1893 S1915 V1919 | L1893-H1917 HydrophobicContact CB-CB 4.33Å; L1893-H1917 PolarHBondContact N-O 2.69Å; L1893-H1917 PolarHBondContact O-N 2.94Å; S1915-H1917 PolarHBondContact OG-NE2 2.81Å; H1917-V1919 PolarHBondContact O-N 2.85Å |
| 1918 | P | 86.5 | Confident | 70.1 | Confident | 112 Ų | 112 | 78.3 Ų | 78.3 | 73% | 0.727 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.8 | 170.9 | 28.8 | -32.4 | 0 | 0 | 0 | 109.1 | ||
| 1919 | V | 85.7 | Confident | 69.5 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 6% | 0.055 | 48% | 0.484 | C | S | . | . | trans | -105.7 | 137 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 106.7 | Y1886 S1891 L1893 H1917 L1971 I1981 | Y1886-V1919 HydrophobicContact CD2-CG2 4.38Å; Y1886-V1919 HydrophobicContact CE2-CB 4.05Å; Y1886-V1919 HydrophobicContact CE2-CG2 3.92Å; S1891-V1919 WeakPolarHBondContact CB-O 3.3Å; S1891-V1919 WeakPolarHBondContact O-CA 3.41Å; S1891-V1919 WeakPolarHBondContact O-CB 3.29Å; S1891-V1919 PolarHBondContact O-N 3.14Å; S1891-V1919 PolarHBondContact OG-O 2.94Å; L1893-V1919 HydrophobicContact CB-CG2 4.01Å; H1917-V1919 PolarHBondContact O-N 2.85Å; V1919-L1971 HydrophobicContact CG1-CD1 4.44Å; V1919-L1971 HydrophobicContact CG2-CD1 3.99Å; V1919-I1981 HydrophobicContact CG2-CD1 3.83Å | ||
| 1920 | P | 79.7 | Confident | 68.5 | Low | 85 Ų | 85 | 85.4 Ų | 85.4 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | trans | -56.2 | 156.2 | 172.8 | -23.4 | 33 | 0 | 0 | 0 | 110.8 | L1922 R1979 | P1920-L1922 PolarHBondContact O-N 3.18Å; P1920-R1979 PolarHBondContact O-NH1 2.85Å | ||
| 1921 | P | 72 | Confident | 67 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | trans | -50.2 | 139 | 173.8 | -28.9 | 36.3 | 0 | 0 | 0 | 112.3 | R1979 | P1921-R1979 PolarHBondContact O-NH1 3.22Å; P1921-R1979 PolarHBondContact O-NH2 2.89Å | ||
| 1922 | L | 73.6 | Confident | 64.9 | Low | 6 Ų | 6 | 89.7 Ų | 89.7 | 3% | 0.031 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -90.4 | -11.1 | 173.8 | -71.1 | 170 | 0 | 0 | 0 | 112.4 | Y1886 L1888 P1920 L1957 V1959 L1971 T1973 I1977 | Y1886-L1922 HydrophobicContact CE1-CD1 3.9Å; Y1886-L1922 WeakPolarHBondContact OH-CD1 3.44Å; L1888-L1922 HydrophobicContact CD1-CB 4.08Å; L1888-L1922 HydrophobicContact CD1-CD1 4.16Å; P1920-L1922 PolarHBondContact O-N 3.18Å; L1922-L1957 HydrophobicContact CB-CD2 3.79Å; L1922-V1959 HydrophobicContact CD1-CG1 4.08Å; L1922-V1959 HydrophobicContact CD1-CG2 4.28Å; L1922-L1971 HydrophobicContact CD1-CD2 4.48Å; L1922-T1973 HydrophobicContact CD1-CG2 4.07Å; L1922-T1973 HydrophobicContact CD2-CG2 4.33Å; L1922-I1977 HydrophobicContact CD2-CG2 4.4Å |
| 1923 | I | 65.1 | Low | 62.6 | Low | 105 Ų | 105 | 89.5 Ų | 89.5 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -101.3 | 130 | 178.1 | -51.4 | 173.7 | 0 | 0 | 0 | 107.6 | L1957 | I1923-L1957 HydrophobicContact CG1-CD2 4.02Š|
| 1924 | P | 49.9 | Very low | 60.1 | Low | 105 Ų | 105 | 90.1 Ų | 90.1 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 150.8 | 173.1 | 29 | -34.5 | 0 | 0 | 0 | 110.9 | ||
| 1925 | P | 45.4 | Very low | 57.4 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 146.7 | 173.4 | 28.2 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 1926 | P | 48.6 | Very low | 54.9 | Low | 93 Ų | 93 | 97.4 Ų | 97.4 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 146.9 | 173.9 | 27.9 | -34.8 | 0 | 0 | 0 | 110.2 | ||
| 1927 | P | 44.1 | Very low | 52 | Low | 115 Ų | 115 | 102.4 Ų | 102.4 | 75% | 0.747 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.7 | 177.1 | 26.6 | -34.5 | 0 | 0 | 0 | 110.8 | ||
| 1928 | P | 41 | Very low | 49.3 | Very low | 113 Ų | 113 | 105.6 Ų | 105.6 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.4 | 176.6 | 28 | -34.7 | 0 | 0 | 0 | 110.4 | S1930 | P1928-S1930 PolarHBondContact O-N 2.78Š|
| 1929 | P | 42.5 | Very low | 46.7 | Very low | 135 Ų | 135 | 106.5 Ų | 106.5 | 88% | 0.877 | 64% | 0.642 | S | S | * | * | trans | -67.9 | 104.8 | 179 | 27.9 | -33.8 | 0 | 0 | 0 | 110 | ||||
| 1930 | S | 40.8 | Very low | 44.1 | Very low | 117 Ų | 117 | 113.4 Ų | 113.4 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -76 | 129.3 | 178.2 | 44.8 | 0 | 0 | 0 | 0 | 111.5 | P1928 T1932 | P1928-S1930 PolarHBondContact O-N 2.78Å; S1930-T1932 PolarHBondContact O-N 2.91Å | ||
| 1931 | S | 35.2 | Very low | 42 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -73.1 | 121 | 175.8 | 52 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1932 | T | 32.6 | Very low | 40.1 | Very low | 127 Ų | 127 | 117 Ų | 117 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | 20.8 | 111.9 | 147.7 | 54.6 | 0 | 0 | 0 | 0 | 118.8 | S1930 | S1930-T1932 PolarHBondContact O-N 2.91Š| ||
| 1933 | S | 33.1 | Very low | 38.1 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | 152.3 | 142.7 | 114.4 | 57.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1934 | S | 32.9 | Very low | 36.3 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | 50.9 | 122.7 | 150.4 | 55.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1935 | L | 30.9 | Very low | 35.5 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | 53 | 143.4 | 124.1 | -62.6 | 160.8 | 0 | 0 | 0 | 119.2 | |||||
| 1936 | S | 33.8 | Very low | 34.7 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | cis | 178.2 | 164.9 | 9.5 | 39.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1937 | R | 29.8 | Very low | 33.7 | Very low | 199 Ų | 199 | 132 Ų | 132 | 75% | 0.751 | 74% | 0.741 | S | S | * | * | cis | -175.1 | 145.7 | -10.7 | 159.3 | -172.7 | 159.5 | -161.2 | -13.6 | 107.8 | ||||
| 1938 | N | 32.5 | Very low | 33 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | trans | 64.9 | 160 | 165.3 | -70.7 | 19.8 | 0 | 0 | 0 | 116 | ||||
| 1939 | E | 31.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | cis | -160.3 | 177.1 | 2.3 | -119.4 | 159.1 | -127.8 | 0 | 0 | 106.7 | ||||
| 1940 | F | 32.1 | Very low | 31.8 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | -165.3 | 169 | 0.7 | -131.7 | -29.5 | 0 | 0 | 0 | 109.1 | ||||
| 1941 | I | 35 | Very low | 31.1 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 67% | 0.672 | 75% | 0.752 | S | S | * | * | trans | 60.6 | 130.1 | 144.8 | -72.5 | 163.2 | 0 | 0 | 0 | 119 | ||||
| 1942 | N | 32 | Very low | 31 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | cis | -154.8 | 153.9 | 17.1 | -136.8 | 7 | 0 | 0 | 0 | 115.7 | ||||
| 1943 | N | 30.8 | Very low | 30.9 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | 57.1 | 131.2 | 150.3 | -67.6 | -8.1 | 0 | 0 | 0 | 124.4 | ||||
| 1944 | N | 28.3 | Very low | 31 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | 53.5 | 106.2 | 149.5 | -54 | 4.1 | 0 | 0 | 0 | 117.2 | ||||
| 1945 | D | 33.1 | Very low | 31.7 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | -156.2 | 175.9 | 72.3 | -136.8 | -28.3 | 0 | 0 | 0 | 114.5 | |||||
| 1946 | M | 27.6 | Very low | 33.2 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -79.7 | 158.1 | -174.9 | -73.4 | -85.3 | -88.9 | 0 | 0 | 115.2 | ||||
| 1947 | N | 28.6 | Very low | 35.2 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | 60.6 | 80 | 164.2 | -66.2 | -16.8 | 0 | 0 | 0 | 118.5 | ||||
| 1948 | K | 29.5 | Very low | 37.7 | Very low | 207 Ų | 207 | 135.4 Ų | 135.4 | 90% | 0.9 | 70% | 0.696 | S | S | * | * | trans | -161.9 | 93.5 | 147.5 | -110.8 | 155.5 | -172.7 | 172.6 | 0 | 112.7 | ||||
| 1949 | N | 27.5 | Very low | 40.3 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 94% | 0.941 | 67% | 0.67 | S | S | * | * | trans | -144.5 | 61.7 | 167.1 | -100.2 | -26.9 | 0 | 0 | 0 | 110.7 | ||||
| 1950 | Q | 30 | Very low | 43.1 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | trans | -107.9 | 133 | 153.3 | -77.8 | -176.2 | -16.1 | 0 | 0 | 107.3 | T1952 | Q1950-T1952 VanDerWaalsContact C-N 3.32Å; Q1950-T1952 PolarHBondContact O-N 2.73Å | ||
| 1951 | S | 26.9 | Very low | 45.9 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | trans | -74.1 | 84.5 | 176.5 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | L1953 | S1951-L1953 PolarHBondContact O-N 2.97Å; S1951-L1953 VanDerWaalsContact O-N 3.08Å | ||
| 1952 | T | 31.7 | Very low | 48.5 | Very low | 119 Ų | 119 | 118 Ų | 118 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | trans | -65.6 | 108.9 | 179.7 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | Q1950 | Q1950-T1952 VanDerWaalsContact C-N 3.32Å; Q1950-T1952 PolarHBondContact O-N 2.73Å | ||
| 1953 | L | 31.1 | Very low | 51.2 | Low | 130 Ų | 130 | 113 Ų | 113 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 141.4 | 141.9 | -79.9 | 81.8 | 0 | 0 | 0 | 106.8 | S1951 D1955 | S1951-L1953 PolarHBondContact O-N 2.97Å; S1951-L1953 VanDerWaalsContact O-N 3.08Å; L1953-D1955 PolarHBondContact O-N 2.79Å |
| 1954 | P | 36.2 | Very low | 53.5 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.2 | 176.6 | 26 | -33.5 | 0 | 0 | 0 | 109.3 | R1956 | P1954-R1956 PolarHBondContact O-N 3.23Š|
| 1955 | D | 46 | Very low | 55.9 | Low | 143 Ų | 143 | 109 Ų | 109 | 77% | 0.765 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 140 | 172 | -80.9 | -59.8 | 0 | 0 | 0 | 110.3 | L1953 L1957 | L1953-D1955 PolarHBondContact O-N 2.79Å; D1955-L1957 PolarHBondContact O-N 3.19Å; D1955-L1957 VanDerWaalsContact O-N 3.11Å |
| 1956 | R | 63.5 | Low | 57.9 | Low | 181 Ų | 181 | 105.3 Ų | 105.3 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | trans | -38.3 | 119.9 | -175.5 | -83.4 | 178.4 | 161.2 | -172 | -6.6 | 110.6 | P1954 E1958 N1974 | P1954-R1956 PolarHBondContact O-N 3.23Å; R1956-E1958 WeakPolarHBondContact O-CG 3.24Å; R1956-E1958 PolarHBondContact O-N 3.19Å; R1956-N1974 PolarHBondContact O-ND2 2.96Å | ||
| 1957 | L | 76.4 | Confident | 60.5 | Low | 39 Ų | 39 | 106.7 Ų | 106.7 | 20% | 0.204 | 54% | 0.544 | C | S | . | . | trans | -54.1 | 105.1 | -178.3 | -176 | 79.4 | 0 | 0 | 0 | 110.2 | L1888 L1922 I1923 D1955 V1959 T1973 I1975 | L1888-L1957 HydrophobicContact CD1-CD2 3.84Å; L1888-L1957 HydrophobicContact CD2-CB 4.38Å; L1888-L1957 HydrophobicContact CD2-CD2 4.03Å; L1922-L1957 HydrophobicContact CB-CD2 3.79Å; I1923-L1957 HydrophobicContact CG1-CD2 4.02Å; D1955-L1957 PolarHBondContact O-N 3.19Å; D1955-L1957 VanDerWaalsContact O-N 3.11Å; L1957-V1959 HydrophobicContact CD2-CG2 4.11Å; L1957-V1959 HydrophobicContact CG-CG2 4.1Å; L1957-T1973 HydrophobicContact CD1-CG2 4.23Å; L1957-T1973 HydrophobicContact CG-CG2 4.49Å; L1957-I1975 HydrophobicContact CD1-CD1 3.51Å; L1957-I1975 HydrophobicContact CD1-CG1 3.62Å | ||
| 1958 | E | 81.6 | Confident | 63.2 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 36% | 0.36 | 51% | 0.511 | S | S | . | . | trans | -88.6 | 141 | 175.1 | -60.9 | -139.5 | 107.1 | 0 | 0 | 109.4 | K1796 R1956 T1973 N1974 | K1796-E1958 IonicContact NZ-OE1 2.73Å; K1796-E1958 PolarHBondContact NZ-OE1 3.09Å; R1956-E1958 WeakPolarHBondContact O-CG 3.24Å; R1956-E1958 PolarHBondContact O-N 3.19Å; E1958-T1973 CarbonylContact O-C 3.52Å; E1958-T1973 WeakPolarHBondContact O-CA 3.33Å; E1958-N1974 HydrophobicContact CB-CB 4.16Å; E1958-N1974 PolarHBondContact N-ND2 3.48Å; E1958-N1974 PolarHBondContact N-OD1 2.84Å; E1958-N1974 PolarHBondContact O-N 3.17Å | ||
| 1959 | V | 86.7 | Confident | 66.1 | Low | 3 Ų | 3 | 90.6 Ų | 90.6 | 2% | 0.018 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.5 | -168 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | H1831 Y1886 L1888 L1922 L1957 L1971 V1972 T1973 | H1831-V1959 WeakPolarHBondContact CB-O 3.27Å; H1831-V1959 PolarHBondContact CD2-O 3.17Å; H1831-V1959 VanDerWaalsContact CD2-O 3.25Å; Y1886-V1959 HydrophobicContact CD1-CG1 3.84Å; Y1886-V1959 HydrophobicContact CE1-CG1 3.89Å; L1888-V1959 HydrophobicContact CD1-CG2 4.4Å; L1888-V1959 HydrophobicContact CD2-CG2 4.33Å; L1922-V1959 HydrophobicContact CD1-CG1 4.08Å; L1922-V1959 HydrophobicContact CD1-CG2 4.28Å; L1957-V1959 HydrophobicContact CD2-CG2 4.11Å; L1957-V1959 HydrophobicContact CG-CG2 4.1Å; V1959-L1971 HydrophobicContact CG1-CD2 3.2Å; V1959-V1972 CarbonylContact C-O 3.59Å; V1959-V1972 VanDerWaalsContact CA-O 3.3Å; V1959-V1972 WeakPolarHBondContact CA-O 3.19Å; V1959-V1972 WeakPolarHBondContact CG1-O 3.49Å; V1959-T1973 HydrophobicContact CG1-CG2 4.46Å; V1959-T1973 HydrophobicContact CG2-CG2 4.22Å |
| 1960 | W | 90.3 | Very high | 69.1 | Low | 88 Ų | 88 | 83.5 Ų | 83.5 | 33% | 0.333 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 163.3 | 173.9 | 63 | 100.6 | 0 | 0 | 0 | 112.4 | H1831 V1972 T1973 N1974 | H1831-W1960 HydrophobicContact CB-CB 4.2Å; H1831-W1960 AromaticContact NE2-CE3 3.42Å; W1960-V1972 HydrophobicContact CD2-CB 3.93Å; W1960-V1972 HydrophobicContact CD2-CG1 4.39Å; W1960-V1972 HydrophobicContact CG-CB 4.18Å; W1960-V1972 HydrophobicContact CH2-CG1 4.13Å; W1960-V1972 HydrophobicContact CZ2-CB 3.92Å; W1960-V1972 HydrophobicContact CZ2-CG1 3.44Å; W1960-V1972 VanDerWaalsContact CZ2-CG1 3.44Å; W1960-V1972 PolarHBondContact N-O 3.07Å; W1960-V1972 PolarHBondContact O-N 2.64Å; W1960-T1973 WeakPolarHBondContact CH2-O 3.18Å; W1960-N1974 HydrophobicContact CZ3-CB 4.33Å |
| 1961 | I | 92.2 | Very high | 71.9 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.5 | 175.3 | -68.7 | 165 | 0 | 0 | 0 | 108.4 | A1873 C1875 A1884 L1893 W1963 L1969 H1970 L1971 | A1873-I1961 HydrophobicContact CB-CD1 3.91Å; A1873-I1961 HydrophobicContact CB-CG1 3.8Å; C1875-I1961 HydrophobicContact CB-CB 3.73Å; C1875-I1961 HydrophobicContact CB-CG2 3.39Å; A1884-I1961 HydrophobicContact CB-CD1 4.14Å; A1884-I1961 HydrophobicContact CB-CG2 4.39Å; L1893-I1961 HydrophobicContact CD1-CD1 3.8Å; L1893-I1961 HydrophobicContact CD1-CG1 4.36Å; I1961-W1963 HydrophobicContact CG2-CB 4.49Å; I1961-L1969 HydrophobicContact CG1-CD2 4.37Å; I1961-L1969 HydrophobicContact CG2-CD1 3.81Å; I1961-L1969 HydrophobicContact CG2-CD2 3.71Å; I1961-L1969 HydrophobicContact CG2-CG 3.71Å; I1961-H1970 WeakPolarHBondContact CA-O 3.39Å; I1961-L1971 HydrophobicContact CG1-CG 4.44Å |
| 1962 | D | 88 | Confident | 74.9 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.7 | 172.3 | 158.6 | 41.9 | 0 | 0 | 0 | 107.7 | P1964 H1970 V1972 R1978 | D1962-P1964 VanDerWaalsContact C-CD 3.45Å; D1962-P1964 VanDerWaalsContact O-CD 3.28Å; D1962-P1964 WeakPolarHBondContact O-CD 3.28Å; D1962-H1970 HydrophobicContact CB-CB 4.08Å; D1962-H1970 PolarHBondContact N-O 3.12Å; D1962-H1970 PolarHBondContact O-N 2.83Å; D1962-H1970 IonicContact OD2-CD2 2.77Å; D1962-H1970 IonicContact OD2-CG 3.55Å; D1962-V1972 HydrophobicContact CB-CG2 4.13Å; D1962-R1978 IonicContact OD2-CZ 3.5Å; D1962-R1978 IonicContact OD2-NE 3.48Å; D1962-R1978 IonicContact OD2-NH2 3.86Å; D1962-R1978 PolarHBondContact OD2-NH2 2.72Å |
| 1963 | W | 90.2 | Very high | 77.5 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 71.7 | -170.5 | -162.8 | -4.8 | 0 | 0 | 0 | 111.9 | N1877 Q1882 A1884 I1895 I1961 E1965 L1969 L1983 | N1877-W1963 HydrophobicContact CB-CD2 3.88Å; N1877-W1963 HydrophobicContact CB-CE3 3.72Å; N1877-W1963 HydrophobicContact CB-CH2 3.82Å; N1877-W1963 HydrophobicContact CB-CZ2 3.95Å; N1877-W1963 HydrophobicContact CB-CZ3 3.67Å; Q1882-W1963 HydrophobicContact CB-CH2 3.62Å; Q1882-W1963 HydrophobicContact CB-CZ2 4.49Å; Q1882-W1963 HydrophobicContact CB-CZ3 4.19Å; A1884-W1963 HydrophobicContact CB-CE3 3.8Å; A1884-W1963 HydrophobicContact CB-CH2 4.33Å; A1884-W1963 HydrophobicContact CB-CZ3 3.62Å; I1895-W1963 HydrophobicContact CD1-CH2 4.17Å; I1895-W1963 HydrophobicContact CG2-CH2 4.11Å; I1961-W1963 HydrophobicContact CG2-CB 4.49Å; W1963-E1965 PolarHBondContact NE1-O 2.91Å; W1963-L1969 HydrophobicContact CB-CD1 4.48Å; W1963-L1969 HydrophobicContact CB-CG 4.46Å; W1963-L1969 HydrophobicContact CD2-CD1 3.83Å; W1963-L1969 HydrophobicContact CE3-CD1 4.1Å; W1963-L1969 HydrophobicContact CG-CB 4.49Å; W1963-L1969 HydrophobicContact CG-CD1 4.02Å; W1963-L1969 HydrophobicContact CG-CG 4.28Å; W1963-L1983 HydrophobicContact CH2-CD1 4.39Å; W1963-L1983 HydrophobicContact CZ2-CD1 3.45Å; W1963-L1983 VanDerWaalsContact CZ2-CD1 3.45Å |
| 1964 | P | 79.1 | Confident | 79.9 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -29.3 | -172.2 | 30 | -36.1 | 0 | 0 | 0 | 113.9 | D1962 | D1962-P1964 VanDerWaalsContact C-CD 3.45Å; D1962-P1964 VanDerWaalsContact O-CD 3.28Å; D1962-P1964 WeakPolarHBondContact O-CD 3.28Å |
| 1965 | E | 77.7 | Confident | 82.1 | Confident | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147 | -176.5 | -55 | 176.7 | 155.5 | 0 | 0 | 110.9 | W1963 R1967 V1968 | W1963-E1965 PolarHBondContact NE1-O 2.91Å; E1965-R1967 PolarHBondContact O-N 2.81Å; E1965-V1968 HydrophobicContact CB-CB 4.14Å; E1965-V1968 PolarHBondContact O-N 2.91Å; E1965-V1968 VanDerWaalsContact OE2-CG2 3.3Å; E1965-V1968 WeakPolarHBondContact OE2-CG2 3.36Å |
| 1966 | S | 75 | Confident | 83.6 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 59% | 0.594 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12.8 | -174.4 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1967 | R | 82.9 | Confident | 84.4 | Confident | 189 Ų | 189 | 52.2 Ų | 52.2 | 71% | 0.713 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 2.9 | 176.2 | -57.9 | -171.8 | -174 | -176.3 | 1.8 | 114.4 | E1965 A1982 L1983 | E1965-R1967 PolarHBondContact O-N 2.81Å; R1967-A1982 WeakPolarHBondContact O-CA 3.4Å; R1967-L1983 PolarHBondContact O-N 2.82Å |
| 1968 | V | 85.1 | Confident | 84.7 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.085 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 124.2 | -173.4 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | E1965 R1980 | E1965-V1968 HydrophobicContact CB-CB 4.14Å; E1965-V1968 PolarHBondContact O-N 2.91Å; E1965-V1968 VanDerWaalsContact OE2-CG2 3.3Å; E1965-V1968 WeakPolarHBondContact OE2-CG2 3.36Å; V1968-R1980 HydrophobicContact CG1-CG 3.7Å |
| 1969 | L | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.1 | -174.8 | -173 | 153.3 | 0 | 0 | 0 | 109.5 | A1884 L1893 I1895 I1961 W1963 I1981 L1983 | A1884-L1969 HydrophobicContact CB-CD1 3.37Å; L1893-L1969 HydrophobicContact CD1-CD1 4.47Å; L1893-L1969 HydrophobicContact CD1-CD2 3.98Å; L1893-L1969 HydrophobicContact CD2-CD1 4.29Å; L1893-L1969 HydrophobicContact CD2-CD2 3.87Å; I1895-L1969 HydrophobicContact CD1-CD1 4.15Å; I1961-L1969 HydrophobicContact CG1-CD2 4.37Å; I1961-L1969 HydrophobicContact CG2-CD1 3.81Å; I1961-L1969 HydrophobicContact CG2-CD2 3.71Å; I1961-L1969 HydrophobicContact CG2-CG 3.71Å; W1963-L1969 HydrophobicContact CB-CD1 4.48Å; W1963-L1969 HydrophobicContact CB-CG 4.46Å; W1963-L1969 HydrophobicContact CD2-CD1 3.83Å; W1963-L1969 HydrophobicContact CE3-CD1 4.1Å; W1963-L1969 HydrophobicContact CG-CB 4.49Å; W1963-L1969 HydrophobicContact CG-CD1 4.02Å; W1963-L1969 HydrophobicContact CG-CG 4.28Å; L1969-I1981 PolarHBondContact N-O 3.45Å; L1969-I1981 PolarHBondContact O-N 3.24Å; L1969-L1983 HydrophobicContact CB-CD1 4.24Å; L1969-L1983 HydrophobicContact CB-CD2 4.35Å; L1969-L1983 HydrophobicContact CB-CG 4.36Å; L1969-L1983 HydrophobicContact CD1-CD1 4.33Å |
| 1970 | H | 89.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.4 | 178.8 | -72.2 | -89.5 | 0 | 0 | 0 | 110.3 | I1961 D1962 V1972 R1978 R1979 | I1961-H1970 WeakPolarHBondContact CA-O 3.39Å; D1962-H1970 HydrophobicContact CB-CB 4.08Å; D1962-H1970 PolarHBondContact N-O 3.12Å; D1962-H1970 PolarHBondContact O-N 2.83Å; D1962-H1970 IonicContact OD2-CD2 2.77Å; D1962-H1970 IonicContact OD2-CG 3.55Å; H1970-V1972 HydrophobicContact CB-CG2 4.2Å; H1970-R1978 HydrophobicContact CB-CG 4.26Å; H1970-R1978 PolarHBondContact ND1-NE 3.06Å; H1970-R1979 WeakPolarHBondContact CA-O 3.26Å |
| 1971 | L | 89 | Confident | 84.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 112.7 | 171.2 | -120.9 | 164.7 | 0 | 0 | 0 | 107.8 | Y1886 L1893 V1919 L1922 V1959 I1961 R1978 R1979 I1981 | Y1886-L1971 HydrophobicContact CD1-CD1 4.42Å; Y1886-L1971 HydrophobicContact CD1-CD2 3.79Å; Y1886-L1971 HydrophobicContact CD2-CD1 3.52Å; Y1886-L1971 HydrophobicContact CD2-CD2 4.38Å; Y1886-L1971 HydrophobicContact CE1-CD2 4.07Å; Y1886-L1971 HydrophobicContact CE2-CD1 3.79Å; Y1886-L1971 HydrophobicContact CG-CD1 3.88Å; Y1886-L1971 HydrophobicContact CG-CD2 3.97Å; Y1886-L1971 HydrophobicContact CG-CG 4.48Å; L1893-L1971 HydrophobicContact CB-CD1 4.49Å; L1893-L1971 HydrophobicContact CD1-CD1 4.22Å; V1919-L1971 HydrophobicContact CG1-CD1 4.44Å; V1919-L1971 HydrophobicContact CG2-CD1 3.99Å; L1922-L1971 HydrophobicContact CD1-CD2 4.48Å; V1959-L1971 HydrophobicContact CG1-CD2 3.2Å; I1961-L1971 HydrophobicContact CG1-CG 4.44Å; L1971-R1978 CarbonylContact O-C 3.58Å; L1971-R1978 WeakPolarHBondContact O-CA 3.3Å; L1971-R1979 PolarHBondContact N-O 3.04Å; L1971-R1979 PolarHBondContact O-N 2.82Å; L1971-I1981 HydrophobicContact CB-CD1 4.24Å; L1971-I1981 HydrophobicContact CD1-CD1 3.72Å; L1971-I1981 HydrophobicContact CG-CD1 4.48Å |
| 1972 | V | 89.3 | Confident | 84.1 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 151.6 | -168.4 | -157.9 | 0 | 0 | 0 | 0 | 109.8 | V1959 W1960 D1962 H1970 I1977 R1978 | V1959-V1972 CarbonylContact C-O 3.59Å; V1959-V1972 VanDerWaalsContact CA-O 3.3Å; V1959-V1972 WeakPolarHBondContact CA-O 3.19Å; V1959-V1972 WeakPolarHBondContact CG1-O 3.49Å; W1960-V1972 HydrophobicContact CD2-CB 3.93Å; W1960-V1972 HydrophobicContact CD2-CG1 4.39Å; W1960-V1972 HydrophobicContact CG-CB 4.18Å; W1960-V1972 HydrophobicContact CH2-CG1 4.13Å; W1960-V1972 HydrophobicContact CZ2-CB 3.92Å; W1960-V1972 HydrophobicContact CZ2-CG1 3.44Å; W1960-V1972 VanDerWaalsContact CZ2-CG1 3.44Å; W1960-V1972 PolarHBondContact N-O 3.07Å; W1960-V1972 PolarHBondContact O-N 2.64Å; D1962-V1972 HydrophobicContact CB-CG2 4.13Å; H1970-V1972 HydrophobicContact CB-CG2 4.2Å; V1972-I1977 CarbonylContact C-O 3.54Å; V1972-I1977 WeakPolarHBondContact CA-O 3.3Å; V1972-R1978 HydrophobicContact CG1-CB 4.26Å; V1972-R1978 HydrophobicContact CG1-CG 4.39Å; V1972-R1978 HydrophobicContact CG2-CG 4.13Å |
| 1973 | T | 86.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156.5 | -179.5 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | L1922 L1957 E1958 V1959 W1960 I1975 G1976 I1977 | L1922-T1973 HydrophobicContact CD1-CG2 4.07Å; L1922-T1973 HydrophobicContact CD2-CG2 4.33Å; L1957-T1973 HydrophobicContact CD1-CG2 4.23Å; L1957-T1973 HydrophobicContact CG-CG2 4.49Å; E1958-T1973 CarbonylContact O-C 3.52Å; E1958-T1973 WeakPolarHBondContact O-CA 3.33Å; V1959-T1973 HydrophobicContact CG1-CG2 4.46Å; V1959-T1973 HydrophobicContact CG2-CG2 4.22Å; W1960-T1973 WeakPolarHBondContact CH2-O 3.18Å; T1973-I1975 PolarHBondContact O-N 2.82Å; T1973-I1975 WeakPolarHBondContact OG1-CG1 3.42Å; T1973-G1976 PolarHBondContact O-N 3.25Å; T1973-I1977 HydrophobicContact CG2-CB 4.48Å; T1973-I1977 PolarHBondContact N-O 2.75Å; T1973-I1977 WeakPolarHBondContact OG1-CA 3.25Å; T1973-I1977 VanDerWaalsContact OG1-CB 3.32Å; T1973-I1977 WeakPolarHBondContact OG1-CB 3.32Å; T1973-I1977 PolarHBondContact OG1-N 2.97Å; T1973-I1977 PolarHBondContact OG1-O 2.78Å |
| 1974 | N | 82.1 | Confident | 83.4 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.2 | 176.5 | 59.9 | -11.4 | 0 | 0 | 0 | 113.3 | R1956 E1958 W1960 G1976 | R1956-N1974 PolarHBondContact O-ND2 2.96Å; E1958-N1974 HydrophobicContact CB-CB 4.16Å; E1958-N1974 PolarHBondContact N-ND2 3.48Å; E1958-N1974 PolarHBondContact N-OD1 2.84Å; E1958-N1974 PolarHBondContact O-N 3.17Å; W1960-N1974 HydrophobicContact CZ3-CB 4.33Å; N1974-G1976 PolarHBondContact O-N 2.86Å |
| 1975 | I | 81.6 | Confident | 83.6 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 15.4 | 173 | 62.6 | 171.2 | 0 | 0 | 0 | 114.2 | L1957 T1973 I1977 | L1957-I1975 HydrophobicContact CD1-CD1 3.51Å; L1957-I1975 HydrophobicContact CD1-CG1 3.62Å; T1973-I1975 PolarHBondContact O-N 2.82Å; T1973-I1975 WeakPolarHBondContact OG1-CG1 3.42Å; I1975-I1977 VanDerWaalsContact C-N 3.32Å; I1975-I1977 HydrophobicContact CD1-CD1 3.71Å; I1975-I1977 HydrophobicContact CD1-CG1 4.23Å; I1975-I1977 HydrophobicContact CG1-CD1 4.17Å; I1975-I1977 HydrophobicContact CG1-CG1 4.16Å; I1975-I1977 PolarHBondContact O-N 2.89Å |
| 1976 | G | 78.8 | Confident | 83.9 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 62% | 0.619 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 80.4 | -2.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1973 N1974 R1978 | T1973-G1976 PolarHBondContact O-N 3.25Å; N1974-G1976 PolarHBondContact O-N 2.86Å; G1976-R1978 PolarHBondContact O-N 2.86Å |
| 1977 | I | 79.4 | Confident | 84.4 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 32% | 0.323 | 32% | 0.323 | S | S | . | . | trans | -68.7 | 117.3 | 173.4 | -54.8 | 173.6 | 0 | 0 | 0 | 108.5 | L1922 V1972 T1973 I1975 R1979 | L1922-I1977 HydrophobicContact CD2-CG2 4.4Å; V1972-I1977 CarbonylContact C-O 3.54Å; V1972-I1977 WeakPolarHBondContact CA-O 3.3Å; T1973-I1977 HydrophobicContact CG2-CB 4.48Å; T1973-I1977 PolarHBondContact N-O 2.75Å; T1973-I1977 WeakPolarHBondContact OG1-CA 3.25Å; T1973-I1977 VanDerWaalsContact OG1-CB 3.32Å; T1973-I1977 WeakPolarHBondContact OG1-CB 3.32Å; T1973-I1977 PolarHBondContact OG1-N 2.97Å; T1973-I1977 PolarHBondContact OG1-O 2.78Å; I1975-I1977 VanDerWaalsContact C-N 3.32Å; I1975-I1977 HydrophobicContact CD1-CD1 3.71Å; I1975-I1977 HydrophobicContact CD1-CG1 4.23Å; I1975-I1977 HydrophobicContact CG1-CD1 4.17Å; I1975-I1977 HydrophobicContact CG1-CG1 4.16Å; I1975-I1977 PolarHBondContact O-N 2.89Å; I1977-R1979 HydrophobicContact CG2-CG 4.21Å | ||
| 1978 | R | 83.8 | Confident | 84.5 | Confident | 143 Ų | 143 | 57.5 Ų | 57.5 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 105.8 | 173.9 | -176.3 | 167.8 | -171.9 | -151.4 | 6.4 | 110 | D1962 H1970 L1971 V1972 G1976 | D1962-R1978 IonicContact OD2-CZ 3.5Å; D1962-R1978 IonicContact OD2-NE 3.48Å; D1962-R1978 IonicContact OD2-NH2 3.86Å; D1962-R1978 PolarHBondContact OD2-NH2 2.72Å; H1970-R1978 HydrophobicContact CB-CG 4.26Å; H1970-R1978 PolarHBondContact ND1-NE 3.06Å; L1971-R1978 CarbonylContact O-C 3.58Å; L1971-R1978 WeakPolarHBondContact O-CA 3.3Å; V1972-R1978 HydrophobicContact CG1-CB 4.26Å; V1972-R1978 HydrophobicContact CG1-CG 4.39Å; V1972-R1978 HydrophobicContact CG2-CG 4.13Å; G1976-R1978 PolarHBondContact O-N 2.86Å |
| 1979 | R | 84.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.2 | 175.5 | -68.7 | -172.2 | -177.8 | 155.8 | 1.8 | 110.6 | P1920 P1921 H1970 L1971 I1977 | P1920-R1979 PolarHBondContact O-NH1 2.85Å; P1921-R1979 PolarHBondContact O-NH1 3.22Å; P1921-R1979 PolarHBondContact O-NH2 2.89Å; H1970-R1979 WeakPolarHBondContact CA-O 3.26Å; L1971-R1979 PolarHBondContact N-O 3.04Å; L1971-R1979 PolarHBondContact O-N 2.82Å; I1977-R1979 HydrophobicContact CG2-CG 4.21Å |
| 1980 | R | 87.8 | Confident | 84.1 | Confident | 173 Ų | 173 | 64.7 Ų | 64.7 | 65% | 0.653 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 130.9 | 170.7 | -170.4 | -177.7 | -169.6 | -175.4 | 6.5 | 109.1 | V1968 | V1968-R1980 HydrophobicContact CG1-CG 3.7Å |
| 1981 | I | 83.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.7 | 175.6 | -60.5 | 172.4 | 0 | 0 | 0 | 107.2 | L1893 V1919 L1969 L1971 L1983 | L1893-I1981 HydrophobicContact CD2-CD1 3.94Å; L1893-I1981 HydrophobicContact CD2-CG2 4.1Å; V1919-I1981 HydrophobicContact CG2-CD1 3.83Å; L1969-I1981 PolarHBondContact N-O 3.45Å; L1969-I1981 PolarHBondContact O-N 3.24Å; L1971-I1981 HydrophobicContact CB-CD1 4.24Å; L1971-I1981 HydrophobicContact CD1-CD1 3.72Å; L1971-I1981 HydrophobicContact CG-CD1 4.48Å; I1981-L1983 HydrophobicContact CG2-CD2 4.25Å |
| 1982 | A | 82.5 | Confident | 83.2 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 141.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R1967 | R1967-A1982 WeakPolarHBondContact O-CA 3.4Å |
| 1983 | L | 79 | Confident | 82.6 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 41% | 0.414 | 41% | 0.407 | S | S | . | . | trans | -104 | 0 | -176.5 | -56.1 | -178.7 | 0 | 0 | 0 | 112.5 | L1893 I1895 W1963 R1967 L1969 I1981 | L1893-L1983 HydrophobicContact CD2-CD2 4.19Å; I1895-L1983 HydrophobicContact CD1-CD1 4Å; I1895-L1983 HydrophobicContact CD1-CD2 3.87Å; I1895-L1983 HydrophobicContact CG1-CD1 4.38Å; I1895-L1983 HydrophobicContact CG1-CD2 4.01Å; W1963-L1983 HydrophobicContact CH2-CD1 4.39Å; W1963-L1983 HydrophobicContact CZ2-CD1 3.45Å; W1963-L1983 VanDerWaalsContact CZ2-CD1 3.45Å; R1967-L1983 PolarHBondContact O-N 2.82Å; L1969-L1983 HydrophobicContact CB-CD1 4.24Å; L1969-L1983 HydrophobicContact CB-CD2 4.35Å; L1969-L1983 HydrophobicContact CB-CG 4.36Å; L1969-L1983 HydrophobicContact CD1-CD1 4.33Å; I1981-L1983 HydrophobicContact CG2-CD2 4.25Å |
Retrieved 1,983 of 1,983 residues in 2844.9 ms
(Link to these results)