| 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 | 71.1 | Confident | 90.5 | Very high | 100 Ų | 100 | 33.5 Ų | 33.5 | 49% | 0.493 | 16% | 0.157 | S | C | . | . | 0 | 147.8 | 0 | -70 | -177.5 | 174 | 0 | 0 | 107.7 | V88 L1283 H1284 N1321 | M1-V88 PolarHBondContact N-O 3.04Å; M1-L1283 WeakPolarHBondContact CE-O 3.36Å; M1-H1284 CarbonylContact C-O 3.41Å; M1-H1284 WeakPolarHBondContact CA-O 3.11Å; M1-H1284 VanDerWaalsContact CB-O 3.3Å; M1-H1284 WeakPolarHBondContact CB-O 3.34Å; M1-N1321 HydrophobicContact CB-CB 3.88Å; M1-N1321 VanDerWaalsContact CB-ND2 3.28Å; M1-N1321 WeakPolarHBondContact CB-ND2 3.49Å; M1-N1321 HydrophobicContact SD-CB 4.13Å; M1-N1321 PolarHBondContact SD-ND2 3.19Å | |||
| 2 | A | 84.8 | Confident | 90.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -83 | 150.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R86 V88 L146 H1284 | A2-R86 CarbonylContact C-O 3.47Å; A2-R86 WeakPolarHBondContact CA-O 3.43Å; A2-R86 WeakPolarHBondContact CB-O 3.37Å; A2-V88 HydrophobicContact CB-CG1 4.31Å; A2-L146 HydrophobicContact CB-CD2 3.81Å; A2-H1284 PolarHBondContact N-O 2.76Å |
| 3 | L | 88.2 | Confident | 90.7 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 13% | 0.131 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.6 | -179.5 | -80.7 | 161.1 | 0 | 0 | 0 | 109.6 | I85 R86 N1321 Q1323 | L3-I85 CarbonylContact O-C 3.58Å; L3-I85 VanDerWaalsContact O-CA 3.24Å; L3-I85 WeakPolarHBondContact O-CA 3.44Å; L3-I85 WeakPolarHBondContact O-CB 3.49Å; L3-R86 HydrophobicContact CB-CB 4.21Å; L3-R86 PolarHBondContact N-O 2.79Å; L3-R86 PolarHBondContact O-N 2.96Å; L3-N1321 HydrophobicContact CD2-CB 4.26Å; L3-N1321 HydrophobicContact CG-CB 4.29Å; L3-Q1323 VanDerWaalsContact CD2-CD 3.47Å; L3-Q1323 HydrophobicContact CD2-CG 3.76Å |
| 4 | I | 91.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.2 | 171.1 | -52.6 | 179.8 | 0 | 0 | 0 | 107.9 | F25 L47 L83 I85 F158 V1287 Q1323 | I4-F25 HydrophobicContact CB-CD2 4.32Å; I4-F25 HydrophobicContact CG2-CD2 3.43Å; I4-F25 VanDerWaalsContact CG2-CD2 3.43Å; I4-F25 HydrophobicContact CG2-CE2 3.76Å; I4-F25 HydrophobicContact CG2-CG 4.13Å; I4-L47 HydrophobicContact CD1-CD2 4.31Å; I4-L47 HydrophobicContact CG2-CD2 4.34Å; I4-L83 HydrophobicContact CG2-CD1 3.65Å; I4-L83 HydrophobicContact CG2-CG 4.43Å; I4-I85 HydrophobicContact CG1-CG2 4.34Å; I4-I85 HydrophobicContact CG2-CG2 4.47Å; I4-F158 HydrophobicContact CD1-CE1 4.17Å; I4-F158 HydrophobicContact CD1-CZ 3.69Å; I4-V1287 HydrophobicContact CD1-CG1 3.77Å; I4-V1287 HydrophobicContact CD1-CG2 4.23Å; I4-V1287 HydrophobicContact CG1-CG1 4.5Å; I4-V1287 HydrophobicContact CG1-CG2 4.13Å; I4-Q1323 PolarHBondContact O-NE2 2.78Å; I4-Q1323 PolarHBondContact O-OE1 3.09Å |
| 5 | E | 91.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 32 Ų | 32 | 20% | 0.201 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -57.5 | -175.8 | -63.8 | -177.6 | 159.4 | 0 | 0 | 110.4 | F25 Q84 R86 | E5-F25 PolarHBondContact O-N 3.46Å; E5-Q84 HydrophobicContact CB-CG 4.19Å; E5-Q84 PolarHBondContact N-O 2.9Å; E5-Q84 WeakPolarHBondContact OE2-CG 3.35Å; E5-Q84 PolarHBondContact OE2-NE2 2.77Å; E5-R86 IonicContact OE1-CZ 3.08Å; E5-R86 IonicContact OE1-NE 2.59Å; E5-R86 PolarHBondContact OE1-NE 3.21Å; E5-R86 IonicContact OE1-NH2 2.68Å; E5-R86 PolarHBondContact OE1-NH2 2.8Å |
| 6 | R | 94.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 30.6 Ų | 30.6 | 49% | 0.487 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.4 | -174.2 | -63.3 | -179.3 | 180 | 166.8 | -2.2 | 111.9 | I23 E24 Q84 | R6-I23 CarbonylContact C-O 3.59Å; R6-I23 VanDerWaalsContact CA-O 3.32Å; R6-I23 WeakPolarHBondContact CA-O 3.47Å; R6-E24 HydrophobicContact CG-CB 4.16Å; R6-E24 HydrophobicContact CG-CG 4.07Å; R6-E24 IonicContact CZ-OE1 3.48Å; R6-E24 VanDerWaalsContact CZ-OE1 3.26Å; R6-E24 IonicContact NE-OE1 3.49Å; R6-E24 PolarHBondContact NE-OE1 3.37Å; R6-E24 IonicContact NH2-OE1 2.76Å; R6-E24 PolarHBondContact NH2-OE1 3.18Å; R6-Q84 HydrophobicContact CB-CB 4.25Å; R6-Q84 PolarHBondContact N-O 2.84Å; R6-Q84 PolarHBondContact O-N 3.22Å |
| 7 | M | 95.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.4 | 170.7 | -177.8 | 175.4 | 62.2 | 0 | 0 | 111.1 | I9 K22 I23 F25 V43 C46 L47 V81 T82 L83 | M7-I9 HydrophobicContact CE-CD1 3.66Å; M7-I9 HydrophobicContact CE-CG1 3.92Å; M7-I9 HydrophobicContact CG-CG1 4.22Å; M7-I9 HydrophobicContact SD-CG1 4.28Å; M7-K22 CarbonylContact O-C 3.51Å; M7-K22 WeakPolarHBondContact O-CA 3.46Å; M7-I23 HydrophobicContact CB-CG2 3.83Å; M7-I23 HydrophobicContact CE-CG2 3.85Å; M7-I23 PolarHBondContact N-O 3.29Å; M7-I23 PolarHBondContact O-N 3.4Å; M7-F25 HydrophobicContact CB-CE2 3.74Å; M7-F25 HydrophobicContact CB-CZ 4.32Å; M7-F25 HydrophobicContact CE-CZ 4.09Å; M7-V43 HydrophobicContact CE-CG1 3.58Å; M7-C46 HydrophobicContact CE-CB 4.06Å; M7-C46 HydrophobicContact SD-CB 3.65Å; M7-L47 HydrophobicContact CE-CD2 4.26Å; M7-L47 HydrophobicContact CE-CG 4.07Å; M7-L47 HydrophobicContact SD-CD2 3.79Å; M7-L47 HydrophobicContact SD-CG 3.96Å; M7-V81 HydrophobicContact CG-CG1 4.09Å; M7-V81 HydrophobicContact SD-CG1 3.98Å; M7-T82 CarbonylContact C-O 3.54Å; M7-T82 VanDerWaalsContact CA-O 3.29Å; M7-T82 WeakPolarHBondContact CA-O 3.21Å; M7-L83 HydrophobicContact CB-CD1 3.82Å; M7-L83 HydrophobicContact CG-CD1 4.16Å; M7-L83 HydrophobicContact SD-CD1 4.37Å |
| 8 | S | 95.7 | Very high | 90.3 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 16% | 0.161 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.4 | 174.4 | -149 | 0 | 0 | 0 | 0 | 108.1 | S20 Q21 V81 T82 | S8-S20 PolarHBondContact OG-OG 3.4Å; S8-Q21 CarbonylContact C-O 3.49Å; S8-Q21 WeakPolarHBondContact CA-O 3.41Å; S8-V81 WeakPolarHBondContact O-CA 3.4Å; S8-T82 PolarHBondContact N-O 3.03Å; S8-T82 PolarHBondContact O-N 3.48Å |
| 9 | I | 96 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135 | 177.6 | -55.6 | 170.2 | 0 | 0 | 0 | 108.3 | M7 I12 F15 S20 Q21 V43 C46 | M7-I9 HydrophobicContact CE-CD1 3.66Å; M7-I9 HydrophobicContact CE-CG1 3.92Å; M7-I9 HydrophobicContact CG-CG1 4.22Å; M7-I9 HydrophobicContact SD-CG1 4.28Å; I9-I12 HydrophobicContact CG2-CB 3.76Å; I9-I12 HydrophobicContact CG2-CG1 3.79Å; I9-F15 HydrophobicContact CB-CG 4.43Å; I9-F15 HydrophobicContact CD1-CD2 4.37Å; I9-F15 HydrophobicContact CD1-CE2 3.93Å; I9-F15 HydrophobicContact CD1-CZ 4.06Å; I9-F15 HydrophobicContact CG2-CB 3.92Å; I9-F15 HydrophobicContact CG2-CD1 4.49Å; I9-F15 HydrophobicContact CG2-CD2 3.65Å; I9-F15 HydrophobicContact CG2-CE2 4.28Å; I9-F15 HydrophobicContact CG2-CG 3.76Å; I9-S20 CarbonylContact O-C 3.59Å; I9-S20 WeakPolarHBondContact O-CA 3.39Å; I9-S20 PolarHBondContact O-OG 3.36Å; I9-Q21 PolarHBondContact N-O 3.44Å; I9-Q21 PolarHBondContact O-N 3.24Å; I9-V43 HydrophobicContact CD1-CG2 4.27Å; I9-C46 HydrophobicContact CD1-CB 4.2Å; I9-C46 HydrophobicContact CG1-CB 4.22Å |
| 10 | L | 94.5 | Very high | 90.2 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.4 | 176.3 | -172.6 | 72.9 | 0 | 0 | 0 | 109.8 | I12 Q17 A79 K80 | L10-I12 PolarHBondContact O-N 3.12Å; L10-Q17 VanDerWaalsContact CD1-O 3.27Å; L10-Q17 WeakPolarHBondContact CD1-O 3.45Å; L10-A79 CarbonylContact O-C 3.55Å; L10-A79 VanDerWaalsContact O-CA 3.29Å; L10-A79 WeakPolarHBondContact O-CA 3.47Å; L10-K80 HydrophobicContact CB-CB 4.41Å; L10-K80 PolarHBondContact N-O 3.34Å; L10-K80 PolarHBondContact O-N 2.95Å |
| 11 | G | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 65.2 | 31 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F15 G16 H67 A79 | G11-F15 CarbonylContact C-O 3.55Å; G11-F15 WeakPolarHBondContact CA-O 3.17Å; G11-F15 PolarHBondContact N-O 3.47Å; G11-G16 PolarHBondContact N-O 3.39Å; G11-H67 PolarHBondContact O-N 3.07Å; G11-A79 WeakPolarHBondContact O-CB 3.34Å |
| 12 | I | 92.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -114.1 | 124.7 | -179.5 | -57.7 | -67.6 | 0 | 0 | 0 | 109.7 | I9 L10 S14 F15 T42 F65 A79 V81 | I9-I12 HydrophobicContact CG2-CB 3.76Å; I9-I12 HydrophobicContact CG2-CG1 3.79Å; L10-I12 PolarHBondContact O-N 3.12Å; I12-S14 PolarHBondContact O-N 3.42Å; I12-F15 PolarHBondContact N-O 3.3Å; I12-F15 WeakPolarHBondContact O-CA 3Å; I12-F15 VanDerWaalsContact O-CB 3.25Å; I12-F15 WeakPolarHBondContact O-CB 2.89Å; I12-F15 WeakPolarHBondContact O-CD2 3.41Å; I12-F15 PolarHBondContact O-N 3.18Å; I12-T42 HydrophobicContact CB-CG2 4.5Å; I12-T42 HydrophobicContact CG2-CG2 3.52Å; I12-F65 CarbonylContact C-O 3.49Å; I12-F65 WeakPolarHBondContact CA-O 3.4Å; I12-F65 HydrophobicContact CD1-CD1 4.19Å; I12-F65 HydrophobicContact CD1-CE1 3.9Å; I12-F65 HydrophobicContact CD1-CZ 4.31Å; I12-F65 HydrophobicContact CG2-CD2 3.91Å; I12-F65 HydrophobicContact CG2-CE1 4.22Å; I12-F65 HydrophobicContact CG2-CE2 3.5Å; I12-F65 HydrophobicContact CG2-CG 4.42Å; I12-F65 HydrophobicContact CG2-CZ 3.69Å; I12-F65 WeakPolarHBondContact CG2-O 3.3Å; I12-A79 HydrophobicContact CD1-CB 3.54Å; I12-A79 HydrophobicContact CG1-CB 4.45Å; I12-V81 HydrophobicContact CD1-CG2 4.02Å; I12-V81 HydrophobicContact CG1-CG2 3.92Å |
| 13 | R | 90.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | -107.2 | -179.1 | -63.2 | -171.2 | -178.7 | -100.3 | 17.1 | 113.5 | T42 E45 F65 H67 | R13-T42 HydrophobicContact CB-CG2 4Å; R13-T42 WeakPolarHBondContact CD-OG1 2.67Å; R13-T42 HydrophobicContact CG-CG2 4.05Å; R13-E45 IonicContact CZ-OE1 3.66Å; R13-E45 IonicContact CZ-OE2 3.46Å; R13-E45 IonicContact NE-OE1 3.26Å; R13-E45 IonicContact NE-OE2 2.77Å; R13-E45 PolarHBondContact NE-OE2 2.98Å; R13-E45 IonicContact NH2-OE1 3.16Å; R13-E45 PolarHBondContact NH2-OE1 2.99Å; R13-E45 IonicContact NH2-OE2 3.93Å; R13-E45 PolarHBondContact NH2-OE2 2.74Å; R13-F65 HydrophobicContact CG-CD2 4.28Å; R13-F65 PolarHBondContact N-O 3.48Å; R13-H67 PolarHBondContact O-ND1 3.13Å |
| 14 | S | 91.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 45 Ų | 45 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5 | -179.2 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | I12 L1356 S1357 | I12-S14 PolarHBondContact O-N 3.42Å; S14-L1356 WeakPolarHBondContact O-CA 3.43Å; S14-S1357 WeakPolarHBondContact CB-OG 3.39Å; S14-S1357 PolarHBondContact O-N 3.35Å; S14-S1357 PolarHBondContact OG-OG 3.06Å |
| 15 | F | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -81.5 | 119.8 | 171.4 | -62.1 | -77.3 | 0 | 0 | 0 | 109.9 | I9 G11 I12 Q21 T42 V43 I1359 | I9-F15 HydrophobicContact CB-CG 4.43Å; I9-F15 HydrophobicContact CD1-CD2 4.37Å; I9-F15 HydrophobicContact CD1-CE2 3.93Å; I9-F15 HydrophobicContact CD1-CZ 4.06Å; I9-F15 HydrophobicContact CG2-CB 3.92Å; I9-F15 HydrophobicContact CG2-CD1 4.49Å; I9-F15 HydrophobicContact CG2-CD2 3.65Å; I9-F15 HydrophobicContact CG2-CE2 4.28Å; I9-F15 HydrophobicContact CG2-CG 3.76Å; G11-F15 CarbonylContact C-O 3.55Å; G11-F15 WeakPolarHBondContact CA-O 3.17Å; G11-F15 PolarHBondContact N-O 3.47Å; I12-F15 PolarHBondContact N-O 3.3Å; I12-F15 WeakPolarHBondContact O-CA 3Å; I12-F15 VanDerWaalsContact O-CB 3.25Å; I12-F15 WeakPolarHBondContact O-CB 2.89Å; I12-F15 WeakPolarHBondContact O-CD2 3.41Å; I12-F15 PolarHBondContact O-N 3.18Å; F15-Q21 HydrophobicContact CD1-CB 3.95Å; F15-Q21 HydrophobicContact CD1-CG 3.71Å; F15-Q21 HydrophobicContact CE1-CB 4.14Å; F15-Q21 HydrophobicContact CE1-CG 4.15Å; F15-T42 HydrophobicContact CD2-CG2 3.96Å; F15-T42 HydrophobicContact CE2-CG2 3.85Å; F15-V43 HydrophobicContact CZ-CG2 4.21Å; F15-I1359 HydrophobicContact CE1-CD1 3.98Å; F15-I1359 HydrophobicContact CE1-CG1 4Å; F15-I1359 HydrophobicContact CZ-CD1 4.29Å |
| 16 | G | 88.3 | Confident | 92 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | trans | -64.5 | 167.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | G11 | G11-G16 PolarHBondContact N-O 3.39Š| ||
| 17 | Q | 87.5 | Confident | 91.5 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -92.4 | -14.3 | -178.3 | 67.8 | 176.2 | 3.5 | 0 | 0 | 114.8 | L10 T72 E74 V77 | L10-Q17 VanDerWaalsContact CD1-O 3.27Å; L10-Q17 WeakPolarHBondContact CD1-O 3.45Å; Q17-T72 HydrophobicContact CG-CG2 4.35Å; Q17-E74 PolarHBondContact NE2-OE1 3.33Å; Q17-E74 VanDerWaalsContact NE2-OE1 3.09Å; Q17-E74 PolarHBondContact NE2-OE2 2.7Å; Q17-V77 HydrophobicContact CB-CG1 4.31Å |
| 18 | E | 85.8 | Confident | 91 | Very high | 151 Ų | 151 | 43.2 Ų | 43.2 | 71% | 0.706 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -82.5 | -46.2 | -177 | -62.7 | -55.7 | 139.7 | 0 | 0 | 112 | ||
| 19 | T | 87.4 | Confident | 90.7 | Very high | 96 Ų | 96 | 42.3 Ų | 42.3 | 59% | 0.589 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -118 | 118.5 | -173 | -50.5 | 0 | 0 | 0 | 0 | 110.1 | Q21 | T19-Q21 PolarHBondContact O-N 3.47Š|
| 20 | S | 91.4 | Very high | 90.4 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | trans | -75.1 | 125.1 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | S8 I9 | S8-S20 PolarHBondContact OG-OG 3.4Å; I9-S20 CarbonylContact O-C 3.59Å; I9-S20 WeakPolarHBondContact O-CA 3.39Å; I9-S20 PolarHBondContact O-OG 3.36Å | ||
| 21 | Q | 94.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.8 | 173.1 | -62 | -58.6 | -44.1 | 0 | 0 | 109.6 | S8 I9 F15 T19 S1357 I1359 | S8-Q21 CarbonylContact C-O 3.49Å; S8-Q21 WeakPolarHBondContact CA-O 3.41Å; I9-Q21 PolarHBondContact N-O 3.44Å; I9-Q21 PolarHBondContact O-N 3.24Å; F15-Q21 HydrophobicContact CD1-CB 3.95Å; F15-Q21 HydrophobicContact CD1-CG 3.71Å; F15-Q21 HydrophobicContact CE1-CB 4.14Å; F15-Q21 HydrophobicContact CE1-CG 4.15Å; T19-Q21 PolarHBondContact O-N 3.47Å; Q21-S1357 WeakPolarHBondContact CG-O 3.3Å; Q21-I1359 HydrophobicContact CB-CD1 4.03Å; Q21-I1359 HydrophobicContact CB-CG1 4.19Å |
| 22 | K | 93.7 | Very high | 90.3 | Very high | 156 Ų | 156 | 40.4 Ų | 40.4 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.1 | -177.6 | -65.1 | 176.2 | -175.3 | 172.2 | 0 | 109.9 | M7 | M7-K22 CarbonylContact O-C 3.51Å; M7-K22 WeakPolarHBondContact O-CA 3.46Å |
| 23 | I | 93.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.7 | 172.3 | -171.3 | 167.2 | 0 | 0 | 0 | 109.3 | R6 M7 F25 I32 V43 F1347 I1359 | R6-I23 CarbonylContact C-O 3.59Å; R6-I23 VanDerWaalsContact CA-O 3.32Å; R6-I23 WeakPolarHBondContact CA-O 3.47Å; M7-I23 HydrophobicContact CB-CG2 3.83Å; M7-I23 HydrophobicContact CE-CG2 3.85Å; M7-I23 PolarHBondContact N-O 3.29Å; M7-I23 PolarHBondContact O-N 3.4Å; I23-F25 HydrophobicContact CD1-CE1 4.37Å; I23-F25 HydrophobicContact CG2-CE2 3.94Å; I23-F25 HydrophobicContact CG2-CZ 3.79Å; I23-I32 HydrophobicContact CD1-CD1 3.44Å; I23-I32 VanDerWaalsContact CD1-CD1 3.44Å; I23-I32 HydrophobicContact CD1-CG1 4.06Å; I23-V43 HydrophobicContact CD1-CG1 4.35Å; I23-F1347 HydrophobicContact CD1-CB 4.44Å; I23-F1347 HydrophobicContact CD1-CD2 3.99Å; I23-F1347 HydrophobicContact CD1-CE2 4.4Å; I23-F1347 HydrophobicContact CD1-CG 4.08Å; I23-F1347 HydrophobicContact CG1-CD1 4.19Å; I23-F1347 HydrophobicContact CG1-CD2 3.96Å; I23-F1347 HydrophobicContact CG1-CE1 4.12Å; I23-F1347 HydrophobicContact CG1-CE2 3.9Å; I23-F1347 HydrophobicContact CG1-CG 4.1Å; I23-F1347 HydrophobicContact CG1-CZ 3.97Å; I23-I1359 HydrophobicContact CB-CD1 4.22Å |
| 24 | E | 93.2 | Very high | 90.3 | Very high | 72 Ų | 72 | 37 Ų | 37 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.8 | 176.1 | 178.9 | 167.3 | -127.9 | 0 | 0 | 108.6 | R6 F26 F1347 | R6-E24 HydrophobicContact CG-CB 4.16Å; R6-E24 HydrophobicContact CG-CG 4.07Å; R6-E24 IonicContact CZ-OE1 3.48Å; R6-E24 VanDerWaalsContact CZ-OE1 3.26Å; R6-E24 IonicContact NE-OE1 3.49Å; R6-E24 PolarHBondContact NE-OE1 3.37Å; R6-E24 IonicContact NH2-OE1 2.76Å; R6-E24 PolarHBondContact NH2-OE1 3.18Å; E24-F26 HydrophobicContact CB-CE1 4.43Å; E24-F26 HydrophobicContact CG-CE1 4.28Å; E24-F1347 HydrophobicContact CB-CZ 4.34Å; E24-F1347 WeakPolarHBondContact O-CE2 3.34Å; E24-F1347 WeakPolarHBondContact O-CZ 3.35Å |
| 25 | F | 91.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | trans | -88.6 | 122.9 | -177.2 | -64.3 | -79.8 | 0 | 0 | 0 | 109.9 | I4 E5 M7 I23 T30 L47 I1325 | I4-F25 HydrophobicContact CB-CD2 4.32Å; I4-F25 HydrophobicContact CG2-CD2 3.43Å; I4-F25 VanDerWaalsContact CG2-CD2 3.43Å; I4-F25 HydrophobicContact CG2-CE2 3.76Å; I4-F25 HydrophobicContact CG2-CG 4.13Å; E5-F25 PolarHBondContact O-N 3.46Å; M7-F25 HydrophobicContact CB-CE2 3.74Å; M7-F25 HydrophobicContact CB-CZ 4.32Å; M7-F25 HydrophobicContact CE-CZ 4.09Å; I23-F25 HydrophobicContact CD1-CE1 4.37Å; I23-F25 HydrophobicContact CG2-CE2 3.94Å; I23-F25 HydrophobicContact CG2-CZ 3.79Å; F25-T30 HydrophobicContact CD1-CG2 4.09Å; F25-L47 HydrophobicContact CE1-CD1 4.01Å; F25-L47 HydrophobicContact CE2-CD2 3.96Å; F25-L47 HydrophobicContact CZ-CD1 3.78Å; F25-L47 HydrophobicContact CZ-CD2 3.77Å; F25-L47 HydrophobicContact CZ-CG 4.13Å; F25-I1325 HydrophobicContact CD1-CD1 3.55Å; F25-I1325 HydrophobicContact CD1-CG1 3.86Å; F25-I1325 HydrophobicContact CE1-CD1 3.61Å; F25-I1325 HydrophobicContact CE1-CG1 4.18Å; F25-I1325 HydrophobicContact CE1-CG2 4.26Å; F25-I1325 HydrophobicContact CG-CD1 4.4Å; F25-I1325 HydrophobicContact CZ-CD1 4.48Å | ||
| 26 | F | 88.3 | Confident | 89.9 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 17% | 0.171 | 25% | 0.25 | C | S | . | . | trans | -84.9 | 158.2 | 178.7 | -50 | -41.4 | 0 | 0 | 0 | 111.5 | E24 V29 T30 N1345 F1347 K1361 | E24-F26 HydrophobicContact CB-CE1 4.43Å; E24-F26 HydrophobicContact CG-CE1 4.28Å; F26-V29 WeakPolarHBondContact CB-O 2.66Å; F26-T30 PolarHBondContact N-OG1 3.36Å; F26-T30 PolarHBondContact O-OG1 3.46Å; F26-N1345 HydrophobicContact CE2-CB 4.06Å; F26-N1345 HydrophobicContact CZ-CB 4.41Å; F26-F1347 HydrophobicContact CD2-CE2 4.11Å; F26-F1347 HydrophobicContact CE1-CE2 4.16Å; F26-F1347 HydrophobicContact CE1-CZ 4.02Å; F26-F1347 HydrophobicContact CE2-CD2 4.1Å; F26-F1347 AromaticContact CE2-CE2 3.35Å; F26-F1347 HydrophobicContact CE2-CE2 3.35Å; F26-F1347 AromaticContact CE2-CZ 3.86Å; F26-F1347 HydrophobicContact CE2-CZ 3.86Å; F26-F1347 HydrophobicContact CZ-CD2 4.41Å; F26-F1347 HydrophobicContact CZ-CE1 4.38Å; F26-F1347 AromaticContact CZ-CE2 3.36Å; F26-F1347 HydrophobicContact CZ-CE2 3.36Å; F26-F1347 AromaticContact CZ-CZ 3.34Å; F26-F1347 HydrophobicContact CZ-CZ 3.34Å; F26-K1361 HydrophobicContact CZ-CD 3.88Å; F26-K1361 VanDerWaalsContact CZ-CE 3.43Å; F26-K1361 HydrophobicContact CZ-CG 4.36Å | ||
| 27 | T | 84.5 | Confident | 89.8 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -123.4 | 124.8 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 107.1 | F1322 Q1323 | T27-F1322 WeakPolarHBondContact CG2-O 3.39Å; T27-Q1323 HydrophobicContact CG2-CG 4.43Å; T27-Q1323 PolarHBondContact OG1-NE2 2.8Å; T27-Q1323 VanDerWaalsContact OG1-NE2 3.13Å |
| 28 | P | 85.2 | Confident | 89.9 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | S | Bend | cis | -88.1 | -16.1 | 10 | 31.3 | -31.9 | 0 | 0 | 0 | 115.7 | I1313 F1322 Q1323 L1324 | P28-I1313 HydrophobicContact CB-CG2 4.23Å; P28-I1313 HydrophobicContact CG-CG2 3.8Å; P28-F1322 WeakPolarHBondContact CA-O 3.5Å; P28-F1322 HydrophobicContact CB-CD1 3.86Å; P28-F1322 HydrophobicContact CB-CE1 4.41Å; P28-Q1323 CarbonylContact O-C 3.49Å; P28-Q1323 WeakPolarHBondContact O-CA 3.27Å; P28-L1324 PolarHBondContact O-N 3.34Å |
| 29 | V | 88.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.6 | -169 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | F26 L31 I1313 L1324 V1343 | F26-V29 WeakPolarHBondContact CB-O 2.66Å; V29-L31 HydrophobicContact CG1-CD2 3.58Å; V29-L31 HydrophobicContact CG1-CG 4Å; V29-I1313 HydrophobicContact CG2-CB 4.36Å; V29-I1313 HydrophobicContact CG2-CD1 3.39Å; V29-I1313 HydrophobicContact CG2-CG1 3.56Å; V29-I1313 HydrophobicContact CG2-CG2 3.81Å; V29-L1324 CarbonylContact C-O 2.81Å; V29-L1324 WeakPolarHBondContact CA-O 3.17Å; V29-L1324 HydrophobicContact CG2-CB 4.37Å; V29-V1343 HydrophobicContact CB-CG2 4.03Å; V29-V1343 HydrophobicContact CG1-CG2 4Å |
| 30 | T | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.8 | 169.2 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | F25 F26 I32 L1324 I1325 V1326 F1347 | F25-T30 HydrophobicContact CD1-CG2 4.09Å; F26-T30 PolarHBondContact N-OG1 3.36Å; F26-T30 PolarHBondContact O-OG1 3.46Å; T30-I32 HydrophobicContact CG2-CG1 4.27Å; T30-L1324 PolarHBondContact N-O 2.97Å; T30-I1325 WeakPolarHBondContact O-CA 3.27Å; T30-V1326 PolarHBondContact O-N 2.87Å; T30-F1347 HydrophobicContact CG2-CD2 3.82Å; T30-F1347 HydrophobicContact CG2-CE2 3.87Å |
| 31 | L | 91.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133 | 174.5 | -58 | -174.3 | 0 | 0 | 0 | 110.3 | V29 V1326 V1334 L1337 V1343 F1346 F1347 I1364 | V29-L31 HydrophobicContact CG1-CD2 3.58Å; V29-L31 HydrophobicContact CG1-CG 4Å; L31-V1326 CarbonylContact C-O 3.58Å; L31-V1326 HydrophobicContact CD2-CB 3.7Å; L31-V1326 HydrophobicContact CD2-CG1 4.32Å; L31-V1326 HydrophobicContact CD2-CG2 4.06Å; L31-V1334 HydrophobicContact CD1-CG1 4.02Å; L31-L1337 HydrophobicContact CD1-CB 4.09Å; L31-L1337 HydrophobicContact CD2-CD1 3.83Å; L31-V1343 HydrophobicContact CD1-CB 4.42Å; L31-V1343 HydrophobicContact CD1-CG1 3.82Å; L31-V1343 HydrophobicContact CD1-CG2 4.23Å; L31-V1343 HydrophobicContact CG-CG1 4Å; L31-V1343 HydrophobicContact CG-CG2 4.5Å; L31-F1346 HydrophobicContact CB-CB 3.8Å; L31-F1347 PolarHBondContact O-N 3.32Å; L31-I1364 HydrophobicContact CD1-CD1 4.43Å |
| 32 | I | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 105.5 | 178.5 | -53.1 | -178 | 0 | 0 | 0 | 108.2 | I23 T30 V43 I1325 V1326 I1327 T1328 F1347 L1349 | I23-I32 HydrophobicContact CD1-CD1 3.44Å; I23-I32 VanDerWaalsContact CD1-CD1 3.44Å; I23-I32 HydrophobicContact CD1-CG1 4.06Å; T30-I32 HydrophobicContact CG2-CG1 4.27Å; I32-V43 HydrophobicContact CD1-CG1 3.94Å; I32-I1325 HydrophobicContact CD1-CG2 4.12Å; I32-V1326 PolarHBondContact N-O 2.85Å; I32-I1327 HydrophobicContact CB-CB 4.5Å; I32-I1327 HydrophobicContact CB-CD1 4.31Å; I32-I1327 HydrophobicContact CB-CG1 4.02Å; I32-I1327 HydrophobicContact CD1-CD1 3.83Å; I32-I1327 HydrophobicContact CD1-CG1 4.05Å; I32-I1327 HydrophobicContact CG1-CG1 4.38Å; I32-I1327 HydrophobicContact CG2-CD1 4.42Å; I32-I1327 WeakPolarHBondContact O-CA 3.21Å; I32-T1328 PolarHBondContact O-N 2.95Å; I32-F1347 CarbonylContact C-O 3.55Å; I32-F1347 WeakPolarHBondContact CA-O 3.49Å; I32-F1347 HydrophobicContact CG1-CB 4.42Å; I32-L1349 HydrophobicContact CG2-CD1 3.42Å; I32-L1349 VanDerWaalsContact CG2-CD1 3.42Å; I32-L1349 HydrophobicContact CG2-CD2 4.09Å; I32-L1349 HydrophobicContact CG2-CG 4.33Å |
| 33 | L | 92.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 147.5 | 179.5 | -179.2 | 63.7 | 0 | 0 | 0 | 110.3 | T1328 E1331 V1334 F1346 F1347 L1348 L1349 F1368 | L33-T1328 WeakPolarHBondContact CA-O 3.4Å; L33-T1328 HydrophobicContact CD1-CG2 4.45Å; L33-E1331 HydrophobicContact CD1-CG 4.13Å; L33-E1331 HydrophobicContact CD2-CG 4.03Å; L33-V1334 HydrophobicContact CB-CG2 4.46Å; L33-V1334 HydrophobicContact CD1-CG2 4.1Å; L33-F1346 HydrophobicContact CB-CD2 3.82Å; L33-F1346 HydrophobicContact CB-CE2 3.97Å; L33-F1346 HydrophobicContact CD2-CD2 4.37Å; L33-F1346 HydrophobicContact CD2-CE2 3.83Å; L33-F1347 PolarHBondContact N-O 2.87Å; L33-L1348 HydrophobicContact CB-CD1 4.36Å; L33-L1348 HydrophobicContact CD2-CD1 4.19Å; L33-L1348 HydrophobicContact CG-CD1 4.16Å; L33-L1348 CarbonylContact O-C 3.2Å; L33-L1348 WeakPolarHBondContact O-CA 2.93Å; L33-L1349 PolarHBondContact O-N 3.34Å; L33-F1368 HydrophobicContact CD2-CZ 4.39Å |
| 34 | G | 90.5 | Very high | 90 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | 163.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K40 T1328 H1329 | G34-K40 WeakPolarHBondContact O-CD 3.22Å; G34-K40 VanDerWaalsContact O-CE 3.31Å; G34-K40 WeakPolarHBondContact O-CE 3.24Å; G34-K40 PolarHBondContact O-NZ 3.39Å; G34-T1328 PolarHBondContact N-O 3.42Å; G34-H1329 VanDerWaalsContact O-CB 3.3Å; G34-H1329 WeakPolarHBondContact O-CB 3.37Å |
| 35 | Q | 89 | Confident | 89.9 | Confident | 160 Ų | 160 | 26 Ų | 26 | 75% | 0.748 | 15% | 0.15 | S | C | * | . | trans | -69 | 167.5 | 177.7 | -65.6 | -179.3 | 1.8 | 0 | 0 | 112.3 | G37 T38 K40 | Q35-G37 PolarHBondContact O-N 3.37Å; Q35-T38 HydrophobicContact CB-CG2 3.96Å; Q35-T38 WeakPolarHBondContact O-CG2 3.27Å; Q35-T38 PolarHBondContact O-N 3.38Å; Q35-T38 PolarHBondContact O-OG1 3.44Å; Q35-K40 VanDerWaalsContact C-NZ 3.28Å; Q35-K40 PolarHBondContact O-NZ 3.26Å | ||
| 36 | N | 87.4 | Confident | 90 | Very high | 115 Ų | 115 | 25.5 Ų | 25.5 | 62% | 0.615 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 133.3 | 178.4 | -71.3 | -21.2 | 0 | 0 | 0 | 111.4 | K40 | N36-K40 PolarHBondContact OD1-NZ 3.25Š|
| 37 | G | 85.1 | Confident | 90.2 | Very high | 47 Ų | 47 | 23.7 Ų | 23.7 | 49% | 0.485 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 13.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q35 G39 R1351 | Q35-G37 PolarHBondContact O-N 3.37Å; G37-G39 PolarHBondContact O-N 3.13Å; G37-R1351 VanDerWaalsContact C-NH2 3.3Å; G37-R1351 PolarHBondContact O-NE 3.1Å; G37-R1351 PolarHBondContact O-NH2 3.09Å |
| 38 | T | 90.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -82 | 6.3 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | Q35 L1349 R1351 S1357 | Q35-T38 HydrophobicContact CB-CG2 3.96Å; Q35-T38 WeakPolarHBondContact O-CG2 3.27Å; Q35-T38 PolarHBondContact O-N 3.38Å; Q35-T38 PolarHBondContact O-OG1 3.44Å; T38-L1349 WeakPolarHBondContact CB-O 3.33Å; T38-L1349 WeakPolarHBondContact CG2-O 3.48Å; T38-L1349 PolarHBondContact OG1-O 2.97Å; T38-R1351 HydrophobicContact CG2-CG 4.37Å; T38-S1357 VanDerWaalsContact O-CB 3.27Å; T38-S1357 WeakPolarHBondContact O-CB 3.17Å; T38-S1357 PolarHBondContact O-OG 3.15Å |
| 39 | G | 89.1 | Confident | 90.9 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 89.5 | 16.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G37 T42 V43 | G37-G39 PolarHBondContact O-N 3.13Å; G39-T42 WeakPolarHBondContact CA-OG1 3.33Å; G39-T42 WeakPolarHBondContact O-CB 3.28Å; G39-T42 PolarHBondContact O-N 3.3Å; G39-T42 PolarHBondContact O-OG1 3.39Å; G39-V43 PolarHBondContact O-N 3.39Å |
| 40 | K | 90.7 | Very high | 91.1 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -49.1 | -65.5 | 175.8 | -72.2 | -157.4 | -53.3 | -76.6 | 0 | 113.9 | G34 Q35 N36 T42 V43 E1292 I1327 T1328 L1349 | G34-K40 WeakPolarHBondContact O-CD 3.22Å; G34-K40 VanDerWaalsContact O-CE 3.31Å; G34-K40 WeakPolarHBondContact O-CE 3.24Å; G34-K40 PolarHBondContact O-NZ 3.39Å; Q35-K40 VanDerWaalsContact C-NZ 3.28Å; Q35-K40 PolarHBondContact O-NZ 3.26Å; N36-K40 PolarHBondContact OD1-NZ 3.25Å; K40-T42 PolarHBondContact O-N 3.26Å; K40-V43 WeakPolarHBondContact O-CB 3.38Å; K40-V43 PolarHBondContact O-N 3.49Å; K40-E1292 WeakPolarHBondContact CE-OE1 3.45Å; K40-E1292 IonicContact NZ-OE1 2.79Å; K40-I1327 HydrophobicContact CB-CG2 3.5Å; K40-I1327 VanDerWaalsContact CB-CG2 3.5Å; K40-I1327 HydrophobicContact CD-CG2 3.87Å; K40-I1327 HydrophobicContact CG-CG2 4.06Å; K40-I1327 WeakPolarHBondContact O-CD1 3.49Å; K40-T1328 WeakPolarHBondContact CD-O 3.41Å; K40-L1349 HydrophobicContact CG-CD2 4.12Å |
| 41 | T | 90.3 | Very high | 91 | Very high | 30 Ų | 30 | 20.1 Ų | 20.1 | 18% | 0.184 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.9 | -35.4 | 176 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | V43 I44 E45 D1291 | T41-V43 PolarHBondContact O-N 3.33Å; T41-V43 VanDerWaalsContact O-N 3.16Å; T41-I44 PolarHBondContact O-N 3.49Å; T41-E45 HydrophobicContact CG2-CG 4.28Å; T41-E45 WeakPolarHBondContact O-CG 3.48Å; T41-E45 PolarHBondContact O-N 3.05Å; T41-D1291 VanDerWaalsContact CG2-OD2 3.3Å; T41-D1291 WeakPolarHBondContact CG2-OD2 3.35Å; T41-D1291 PolarHBondContact OG1-OD1 2.92Å |
| 42 | T | 92.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 6% | 0.055 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.9 | -31.5 | 176.6 | -42.1 | 0 | 0 | 0 | 0 | 112.6 | I12 R13 F15 G39 K40 E45 C46 | I12-T42 HydrophobicContact CB-CG2 4.5Å; I12-T42 HydrophobicContact CG2-CG2 3.52Å; R13-T42 HydrophobicContact CB-CG2 4Å; R13-T42 WeakPolarHBondContact CD-OG1 2.67Å; R13-T42 HydrophobicContact CG-CG2 4.05Å; F15-T42 HydrophobicContact CD2-CG2 3.96Å; F15-T42 HydrophobicContact CE2-CG2 3.85Å; G39-T42 WeakPolarHBondContact CA-OG1 3.33Å; G39-T42 WeakPolarHBondContact O-CB 3.28Å; G39-T42 PolarHBondContact O-N 3.3Å; G39-T42 PolarHBondContact O-OG1 3.39Å; K40-T42 PolarHBondContact O-N 3.26Å; T42-E45 WeakPolarHBondContact O-CB 2.97Å; T42-E45 PolarHBondContact O-N 2.73Å; T42-C46 WeakPolarHBondContact O-CB 3.22Å; T42-C46 PolarHBondContact O-N 3.27Å; T42-C46 PolarHBondContact O-SG 3.36Å |
| 43 | V | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | M7 I9 F15 I23 I32 G39 K40 T41 C46 L47 I1327 L1349 | M7-V43 HydrophobicContact CE-CG1 3.58Å; I9-V43 HydrophobicContact CD1-CG2 4.27Å; F15-V43 HydrophobicContact CZ-CG2 4.21Å; I23-V43 HydrophobicContact CD1-CG1 4.35Å; I32-V43 HydrophobicContact CD1-CG1 3.94Å; G39-V43 PolarHBondContact O-N 3.39Å; K40-V43 WeakPolarHBondContact O-CB 3.38Å; K40-V43 PolarHBondContact O-N 3.49Å; T41-V43 PolarHBondContact O-N 3.33Å; T41-V43 VanDerWaalsContact O-N 3.16Å; V43-C46 PolarHBondContact O-N 3.45Å; V43-L47 WeakPolarHBondContact O-CG 3.15Å; V43-L47 PolarHBondContact O-N 2.87Å; V43-L47 VanDerWaalsContact O-N 3.08Å; V43-I1327 HydrophobicContact CB-CD1 4.07Å; V43-L1349 HydrophobicContact CG2-CD2 3.99Å |
| 44 | I | 91.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 176.2 | -57.6 | -47.7 | 0 | 0 | 0 | 111 | T41 C46 L47 K48 F158 A1289 D1291 I1325 I1327 | T41-I44 PolarHBondContact O-N 3.49Å; I44-C46 VanDerWaalsContact C-N 3.32Å; I44-C46 PolarHBondContact O-N 3.37Å; I44-L47 HydrophobicContact CD1-CD1 4.04Å; I44-L47 WeakPolarHBondContact O-CB 2.72Å; I44-L47 PolarHBondContact O-N 3.04Å; I44-K48 WeakPolarHBondContact O-CB 3.12Å; I44-K48 PolarHBondContact O-N 2.97Å; I44-F158 HydrophobicContact CG2-CB 4.21Å; I44-A1289 HydrophobicContact CD1-CB 3.67Å; I44-A1289 HydrophobicContact CG1-CB 4.45Å; I44-A1289 HydrophobicContact CG2-CB 4.39Å; I44-D1291 HydrophobicContact CG1-CB 4.39Å; I44-I1325 HydrophobicContact CD1-CG2 4.08Å; I44-I1327 HydrophobicContact CD1-CD1 3.56Å; I44-I1327 HydrophobicContact CD1-CG1 3.97Å; I44-I1327 HydrophobicContact CG1-CD1 3.48Å; I44-I1327 VanDerWaalsContact CG1-CD1 3.48Å; I44-I1327 HydrophobicContact CG1-CG1 4.06Å |
| 45 | E | 92 | Very high | 90.4 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 173.6 | -69.5 | 177.7 | 162 | 0 | 0 | 111.9 | R13 T41 T42 K48 Y49 P56 F65 H160 | R13-E45 IonicContact CZ-OE1 3.66Å; R13-E45 IonicContact CZ-OE2 3.46Å; R13-E45 IonicContact NE-OE1 3.26Å; R13-E45 IonicContact NE-OE2 2.77Å; R13-E45 PolarHBondContact NE-OE2 2.98Å; R13-E45 IonicContact NH2-OE1 3.16Å; R13-E45 PolarHBondContact NH2-OE1 2.99Å; R13-E45 IonicContact NH2-OE2 3.93Å; R13-E45 PolarHBondContact NH2-OE2 2.74Å; T41-E45 HydrophobicContact CG2-CG 4.28Å; T41-E45 WeakPolarHBondContact O-CG 3.48Å; T41-E45 PolarHBondContact O-N 3.05Å; T42-E45 WeakPolarHBondContact O-CB 2.97Å; T42-E45 PolarHBondContact O-N 2.73Å; E45-K48 PolarHBondContact O-N 3.45Å; E45-Y49 VanDerWaalsContact O-CB 3.24Å; E45-Y49 WeakPolarHBondContact O-CB 3.38Å; E45-Y49 PolarHBondContact O-N 3.43Å; E45-P56 HydrophobicContact CB-CG 3.76Å; E45-P56 HydrophobicContact CG-CB 3.96Å; E45-P56 HydrophobicContact CG-CG 3.57Å; E45-P56 VanDerWaalsContact OE1-CB 3.29Å; E45-P56 WeakPolarHBondContact OE1-CB 2.99Å; E45-F65 HydrophobicContact CB-CE2 3.77Å; E45-F65 HydrophobicContact CB-CZ 4.27Å; E45-F65 WeakPolarHBondContact OE2-CE2 3.25Å; E45-H160 IonicContact OE1-CD2 2.68Å; E45-H160 IonicContact OE1-NE2 2.89Å; E45-H160 PolarHBondContact OE1-NE2 3.22Å; E45-H160 VanDerWaalsContact OE1-NE2 3.13Å |
| 46 | C | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 174.7 | -74.3 | 0 | 0 | 0 | 0 | 112 | M7 I9 T42 V43 I44 Y49 S50 V81 | M7-C46 HydrophobicContact CE-CB 4.06Å; M7-C46 HydrophobicContact SD-CB 3.65Å; I9-C46 HydrophobicContact CD1-CB 4.2Å; I9-C46 HydrophobicContact CG1-CB 4.22Å; T42-C46 WeakPolarHBondContact O-CB 3.22Å; T42-C46 PolarHBondContact O-N 3.27Å; T42-C46 PolarHBondContact O-SG 3.36Å; V43-C46 PolarHBondContact O-N 3.45Å; I44-C46 VanDerWaalsContact C-N 3.32Å; I44-C46 PolarHBondContact O-N 3.37Å; C46-Y49 PolarHBondContact O-N 2.81Å; C46-S50 WeakPolarHBondContact O-CB 3.37Å; C46-S50 PolarHBondContact O-N 2.79Å; C46-S50 PolarHBondContact O-OG 3.43Å; C46-V81 HydrophobicContact CB-CG1 3.92Å; C46-V81 HydrophobicContact CB-CG2 4.3Å |
| 47 | L | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.6 | -72.5 | 171.4 | 0 | 0 | 0 | 111.7 | I4 M7 F25 V43 I44 Y49 S50 A51 L83 F158 I1325 | I4-L47 HydrophobicContact CD1-CD2 4.31Å; I4-L47 HydrophobicContact CG2-CD2 4.34Å; M7-L47 HydrophobicContact CE-CD2 4.26Å; M7-L47 HydrophobicContact CE-CG 4.07Å; M7-L47 HydrophobicContact SD-CD2 3.79Å; M7-L47 HydrophobicContact SD-CG 3.96Å; F25-L47 HydrophobicContact CE1-CD1 4.01Å; F25-L47 HydrophobicContact CE2-CD2 3.96Å; F25-L47 HydrophobicContact CZ-CD1 3.78Å; F25-L47 HydrophobicContact CZ-CD2 3.77Å; F25-L47 HydrophobicContact CZ-CG 4.13Å; V43-L47 WeakPolarHBondContact O-CG 3.15Å; V43-L47 PolarHBondContact O-N 2.87Å; V43-L47 VanDerWaalsContact O-N 3.08Å; I44-L47 HydrophobicContact CD1-CD1 4.04Å; I44-L47 WeakPolarHBondContact O-CB 2.72Å; I44-L47 PolarHBondContact O-N 3.04Å; L47-Y49 VanDerWaalsContact C-N 3.34Å; L47-Y49 PolarHBondContact O-N 3.49Å; L47-S50 PolarHBondContact O-N 3.03Å; L47-A51 WeakPolarHBondContact O-CB 3.32Å; L47-A51 PolarHBondContact O-N 2.73Å; L47-L83 HydrophobicContact CD2-CD1 3.62Å; L47-F158 HydrophobicContact CB-CD1 3.73Å; L47-F158 HydrophobicContact CB-CE1 3.64Å; L47-F158 HydrophobicContact CB-CE2 4.5Å; L47-F158 HydrophobicContact CB-CG 4.23Å; L47-F158 HydrophobicContact CB-CZ 4.03Å; L47-F158 HydrophobicContact CD1-CD1 4.26Å; L47-F158 HydrophobicContact CD1-CE1 3.87Å; L47-F158 HydrophobicContact CG-CE1 4.24Å; L47-I1325 HydrophobicContact CD1-CD1 3.86Å |
| 48 | K | 92.2 | Very high | 89.3 | Confident | 11 Ų | 11 | 16.4 Ų | 16.4 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 175.2 | -171.9 | -177.4 | 177.3 | -174.8 | 0 | 110.3 | I44 E45 A51 T52 E154 F158 | I44-K48 WeakPolarHBondContact O-CB 3.12Å; I44-K48 PolarHBondContact O-N 2.97Å; E45-K48 PolarHBondContact O-N 3.45Å; K48-A51 PolarHBondContact O-N 2.87Å; K48-T52 WeakPolarHBondContact O-CB 3.41Å; K48-T52 PolarHBondContact O-N 3.25Å; K48-T52 PolarHBondContact O-OG1 2.96Å; K48-E154 WeakPolarHBondContact CE-OE1 3.5Å; K48-E154 IonicContact NZ-OE1 3.95Å; K48-E154 PolarHBondContact NZ-OE1 3.49Å; K48-F158 HydrophobicContact CB-CB 3.73Å; K48-F158 HydrophobicContact CB-CG 4.47Å; K48-F158 HydrophobicContact CG-CB 4.15Å |
| 49 | Y | 92 | Very high | 88.5 | Confident | 9 Ų | 9 | 16.4 Ų | 16.4 | 4% | 0.035 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | -178.8 | 178.3 | -112.3 | 0 | 0 | 0 | 111.9 | E45 C46 L47 A51 G53 L55 F65 V81 R97 L99 | E45-Y49 VanDerWaalsContact O-CB 3.24Å; E45-Y49 WeakPolarHBondContact O-CB 3.38Å; E45-Y49 PolarHBondContact O-N 3.43Å; C46-Y49 PolarHBondContact O-N 2.81Å; L47-Y49 VanDerWaalsContact C-N 3.34Å; L47-Y49 PolarHBondContact O-N 3.49Å; Y49-A51 VanDerWaalsContact C-N 3.34Å; Y49-A51 PolarHBondContact O-N 3.33Å; Y49-G53 WeakPolarHBondContact CD2-O 3.49Å; Y49-G53 WeakPolarHBondContact CE2-O 3.44Å; Y49-G53 VanDerWaalsContact O-CA 3.28Å; Y49-G53 WeakPolarHBondContact O-CA 3.41Å; Y49-G53 PolarHBondContact O-N 3.46Å; Y49-L55 HydrophobicContact CD2-CD2 3.9Å; Y49-L55 HydrophobicContact CE2-CD2 3.85Å; Y49-F65 HydrophobicContact CD1-CE1 4.12Å; Y49-F65 HydrophobicContact CG-CE1 4.05Å; Y49-V81 HydrophobicContact CD1-CG2 4.27Å; Y49-R97 HydrophobicContact CD1-CB 4.34Å; Y49-R97 HydrophobicContact CE1-CB 3.55Å; Y49-R97 HydrophobicContact CE1-CG 4.36Å; Y49-R97 VanDerWaalsContact O-CD 3.32Å; Y49-R97 WeakPolarHBondContact O-CD 2.88Å; Y49-R97 PolarHBondContact O-NE 2.8Å; Y49-R97 VanDerWaalsContact O-NE 3.11Å; Y49-L99 HydrophobicContact CE1-CD1 4.08Å; Y49-L99 HydrophobicContact CE1-CG 4.3Å; Y49-L99 HydrophobicContact CE2-CD1 4.33Å; Y49-L99 WeakPolarHBondContact OH-CD2 3.2Å; Y49-L99 VanDerWaalsContact OH-CG 3.27Å; Y49-L99 WeakPolarHBondContact OH-CG 2.76Å |
| 50 | S | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 175.7 | -75.6 | 0 | 0 | 0 | 0 | 112.2 | C46 L47 V81 R97 | C46-S50 WeakPolarHBondContact O-CB 3.37Å; C46-S50 PolarHBondContact O-N 2.79Å; C46-S50 PolarHBondContact O-OG 3.43Å; L47-S50 PolarHBondContact O-N 3.03Å; S50-V81 WeakPolarHBondContact OG-CG1 3.12Å; S50-R97 PolarHBondContact O-NE 3.21Å; S50-R97 PolarHBondContact O-NH2 2.82Å |
| 51 | A | 89.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.7 | -37.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L47 K48 Y49 M142 L146 L153 F158 | L47-A51 WeakPolarHBondContact O-CB 3.32Å; L47-A51 PolarHBondContact O-N 2.73Å; K48-A51 PolarHBondContact O-N 2.87Å; Y49-A51 VanDerWaalsContact C-N 3.34Å; Y49-A51 PolarHBondContact O-N 3.33Å; A51-M142 HydrophobicContact CB-CE 4.42Å; A51-M142 WeakPolarHBondContact O-CB 3.5Å; A51-L146 HydrophobicContact CB-CD1 4.28Å; A51-L153 HydrophobicContact CB-CD1 4.4Å; A51-L153 HydrophobicContact CB-CD2 4.39Å; A51-F158 HydrophobicContact CB-CD2 4.14Å; A51-F158 HydrophobicContact CB-CE2 3.73Å |
| 52 | T | 88.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -121.4 | -12.9 | -167.4 | 67 | 0 | 0 | 0 | 0 | 115.2 | K48 E54 K150 L153 | K48-T52 WeakPolarHBondContact O-CB 3.41Å; K48-T52 PolarHBondContact O-N 3.25Å; K48-T52 PolarHBondContact O-OG1 2.96Å; T52-E54 PolarHBondContact O-N 2.98Å; T52-E54 WeakPolarHBondContact OG1-CB 3.44Å; T52-E54 PolarHBondContact OG1-N 3.42Å; T52-K150 HydrophobicContact CG2-CG 4.25Å; T52-K150 WeakPolarHBondContact O-CE 3.16Å; T52-K150 PolarHBondContact O-NZ 2.9Å; T52-K150 VanDerWaalsContact O-NZ 3.13Å; T52-L153 HydrophobicContact CG2-CB 3.56Å; T52-L153 HydrophobicContact CG2-CD1 4.28Å |
| 53 | G | 88.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | trans | 73.6 | -6.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y49 | Y49-G53 WeakPolarHBondContact CD2-O 3.49Å; Y49-G53 WeakPolarHBondContact CE2-O 3.44Å; Y49-G53 VanDerWaalsContact O-CA 3.28Å; Y49-G53 WeakPolarHBondContact O-CA 3.41Å; Y49-G53 PolarHBondContact O-N 3.46Å | ||
| 54 | E | 88.3 | Confident | 83.6 | Confident | 70 Ų | 70 | 31.2 Ų | 31.2 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -75 | 134.3 | -177.6 | -65.3 | -60.9 | 151.3 | 0 | 0 | 111.5 | T52 K150 | T52-E54 PolarHBondContact O-N 2.98Å; T52-E54 WeakPolarHBondContact OG1-CB 3.44Å; T52-E54 PolarHBondContact OG1-N 3.42Å; E54-K150 WeakPolarHBondContact OE1-CE 3.25Å; E54-K150 IonicContact OE1-NZ 3.26Å; E54-K150 PolarHBondContact OE1-NZ 3.21Å |
| 55 | L | 88.2 | Confident | 83.6 | Confident | 45 Ų | 45 | 31 Ų | 31 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 157.9 | 173.6 | -64.5 | 172.6 | 0 | 0 | 0 | 110.4 | Y49 F65 L99 L112 | Y49-L55 HydrophobicContact CD2-CD2 3.9Å; Y49-L55 HydrophobicContact CE2-CD2 3.85Å; L55-F65 HydrophobicContact CD2-CD1 3.69Å; L55-F65 HydrophobicContact CD2-CE1 4.27Å; L55-F65 HydrophobicContact CD2-CG 4.37Å; L55-L99 HydrophobicContact CD2-CD1 4.15Å; L55-L112 HydrophobicContact CD1-CD2 4.22Å |
| 56 | P | 85.2 | Confident | 83.5 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 151.1 | 178 | -24 | 35.6 | 0 | 0 | 0 | 113 | E45 S59 F65 | E45-P56 HydrophobicContact CB-CG 3.76Å; E45-P56 HydrophobicContact CG-CB 3.96Å; E45-P56 HydrophobicContact CG-CG 3.57Å; E45-P56 VanDerWaalsContact OE1-CB 3.29Å; E45-P56 WeakPolarHBondContact OE1-CB 2.99Å; P56-S59 VanDerWaalsContact O-CB 3.26Å; P56-S59 WeakPolarHBondContact O-CB 3.36Å; P56-S59 PolarHBondContact O-N 3.09Å; P56-S59 VanDerWaalsContact O-N 3.09Å; P56-F65 HydrophobicContact CG-CD2 3.53Å; P56-F65 HydrophobicContact CG-CE2 3.66Å; P56-F65 HydrophobicContact CG-CG 4.2Å; P56-F65 HydrophobicContact CG-CZ 4.41Å |
| 57 | P | 79.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 31.2 Ų | 31.2 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 147.1 | 173.1 | 25 | -32.3 | 0 | 0 | 0 | 110.9 | S59 H160 | P57-S59 PolarHBondContact O-N 2.93Å; P57-H160 HydrophobicContact CG-CB 4.18Å; P57-H160 VanDerWaalsContact CG-ND1 3.27Å; P57-H160 WeakPolarHBondContact CG-ND1 3.44Å |
| 58 | G | 74 | Confident | 82.9 | Confident | 72 Ų | 72 | 33.2 Ų | 33.2 | 74% | 0.742 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -15.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K60 | G58-K60 VanDerWaalsContact C-N 3.33Å; G58-K60 PolarHBondContact O-N 3.47Å |
| 59 | S | 73.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | trans | -92.3 | 38.5 | -178.7 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | P56 P57 T61 G62 S64 | P56-S59 VanDerWaalsContact O-CB 3.26Å; P56-S59 WeakPolarHBondContact O-CB 3.36Å; P56-S59 PolarHBondContact O-N 3.09Å; P56-S59 VanDerWaalsContact O-N 3.09Å; P57-S59 PolarHBondContact O-N 2.93Å; S59-T61 PolarHBondContact O-N 2.79Å; S59-G62 WeakPolarHBondContact O-CA 3.39Å; S59-G62 PolarHBondContact O-N 2.9Å; S59-S64 VanDerWaalsContact CA-OG 3.29Å; S59-S64 WeakPolarHBondContact CA-OG 3.23Å; S59-S64 WeakPolarHBondContact CB-OG 3.4Å; S59-S64 PolarHBondContact OG-OG 3.39Å | ||
| 60 | K | 60.6 | Low | 82.2 | Confident | 210 Ų | 210 | 39.9 Ų | 39.9 | 91% | 0.913 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.3 | -174.2 | -73.6 | -173.7 | 178.6 | 179.3 | 0 | 114.4 | G58 G62 | G58-K60 VanDerWaalsContact C-N 3.33Å; G58-K60 PolarHBondContact O-N 3.47Å; K60-G62 VanDerWaalsContact C-N 3.34Å |
| 61 | T | 65 | Low | 81.8 | Confident | 77 Ų | 77 | 45.4 Ų | 45.4 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.3 | 171.2 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | S59 C63 L112 | S59-T61 PolarHBondContact O-N 2.79Å; T61-C63 PolarHBondContact O-N 3.25Å; T61-L112 WeakPolarHBondContact O-CB 2.8Å |
| 62 | G | 67.3 | Low | 81.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 64.5 | -18.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S59 K60 S64 F65 | S59-G62 WeakPolarHBondContact O-CA 3.39Å; S59-G62 PolarHBondContact O-N 2.9Å; K60-G62 VanDerWaalsContact C-N 3.34Å; G62-S64 PolarHBondContact O-N 3.16Å; G62-F65 PolarHBondContact O-N 3.31Å; G62-F65 VanDerWaalsContact O-N 3.13Å |
| 63 | C | 77.2 | Confident | 80.9 | Confident | 23 Ų | 23 | 56 Ų | 56 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.8 | 177.5 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | T61 F65 I66 G110 L112 | T61-C63 PolarHBondContact O-N 3.25Å; C63-F65 VanDerWaalsContact C-N 3.27Å; C63-F65 PolarHBondContact O-N 3.18Å; C63-I66 PolarHBondContact O-N 3.15Å; C63-G110 PolarHBondContact SG-O 3.01Å; C63-L112 PolarHBondContact SG-N 2.93Å |
| 64 | S | 83.7 | Confident | 80.7 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17 | 176.8 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | S59 G62 | S59-S64 VanDerWaalsContact CA-OG 3.29Å; S59-S64 WeakPolarHBondContact CA-OG 3.23Å; S59-S64 WeakPolarHBondContact CB-OG 3.4Å; S59-S64 PolarHBondContact OG-OG 3.39Å; G62-S64 PolarHBondContact O-N 3.16Å |
| 65 | F | 90 | Very high | 80.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -30.1 | 176.7 | -173.8 | -127.9 | 0 | 0 | 0 | 111.7 | I12 R13 E45 Y49 L55 P56 G62 C63 L99 | I12-F65 CarbonylContact C-O 3.49Å; I12-F65 WeakPolarHBondContact CA-O 3.4Å; I12-F65 HydrophobicContact CD1-CD1 4.19Å; I12-F65 HydrophobicContact CD1-CE1 3.9Å; I12-F65 HydrophobicContact CD1-CZ 4.31Å; I12-F65 HydrophobicContact CG2-CD2 3.91Å; I12-F65 HydrophobicContact CG2-CE1 4.22Å; I12-F65 HydrophobicContact CG2-CE2 3.5Å; I12-F65 HydrophobicContact CG2-CG 4.42Å; I12-F65 HydrophobicContact CG2-CZ 3.69Å; I12-F65 WeakPolarHBondContact CG2-O 3.3Å; R13-F65 HydrophobicContact CG-CD2 4.28Å; R13-F65 PolarHBondContact N-O 3.48Å; E45-F65 HydrophobicContact CB-CE2 3.77Å; E45-F65 HydrophobicContact CB-CZ 4.27Å; E45-F65 WeakPolarHBondContact OE2-CE2 3.25Å; Y49-F65 HydrophobicContact CD1-CE1 4.12Å; Y49-F65 HydrophobicContact CG-CE1 4.05Å; L55-F65 HydrophobicContact CD2-CD1 3.69Å; L55-F65 HydrophobicContact CD2-CE1 4.27Å; L55-F65 HydrophobicContact CD2-CG 4.37Å; P56-F65 HydrophobicContact CG-CD2 3.53Å; P56-F65 HydrophobicContact CG-CE2 3.66Å; P56-F65 HydrophobicContact CG-CG 4.2Å; P56-F65 HydrophobicContact CG-CZ 4.41Å; G62-F65 PolarHBondContact O-N 3.31Å; G62-F65 VanDerWaalsContact O-N 3.13Å; C63-F65 VanDerWaalsContact C-N 3.27Å; C63-F65 PolarHBondContact O-N 3.18Å; F65-L99 HydrophobicContact CD1-CD1 4.12Å |
| 66 | I | 90.3 | Very high | 80.5 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 147 | 176 | -58.3 | -179.4 | 0 | 0 | 0 | 108.9 | C63 D68 V77 A79 L99 A101 L112 | C63-I66 PolarHBondContact O-N 3.15Å; I66-D68 PolarHBondContact O-N 3.46Å; I66-V77 HydrophobicContact CG2-CB 4.11Å; I66-V77 HydrophobicContact CG2-CG1 3.73Å; I66-A79 HydrophobicContact CB-CB 4.46Å; I66-A79 HydrophobicContact CD1-CB 4.29Å; I66-A79 HydrophobicContact CG1-CB 3.94Å; I66-A79 HydrophobicContact CG2-CB 4.02Å; I66-L99 HydrophobicContact CD1-CB 3.55Å; I66-L99 HydrophobicContact CD1-CD1 4.39Å; I66-L99 HydrophobicContact CG1-CB 4.21Å; I66-L99 HydrophobicContact CG1-CD1 4.34Å; I66-A101 HydrophobicContact CB-CB 3.93Å; I66-A101 HydrophobicContact CD1-CB 3.79Å; I66-A101 HydrophobicContact CG1-CB 4.45Å; I66-A101 HydrophobicContact CG2-CB 3.67Å; I66-L112 HydrophobicContact CD1-CD1 3.27Å; I66-L112 HydrophobicContact CG1-CD1 4.14Å |
| 67 | H | 89.1 | Confident | 80.7 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.032 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 127.4 | 171.2 | -172.2 | 79.9 | 0 | 0 | 0 | 109.5 | G11 R13 P69 T72 V77 | G11-H67 PolarHBondContact O-N 3.07Å; R13-H67 PolarHBondContact O-ND1 3.13Å; H67-P69 WeakPolarHBondContact O-CD 3.49Å; H67-T72 VanDerWaalsContact CD2-CG2 3.49Å; H67-T72 WeakPolarHBondContact CD2-CG2 2.63Å; H67-V77 HydrophobicContact CB-CG1 4.19Å; H67-V77 WeakPolarHBondContact O-CG1 2.77Å |
| 68 | D | 86 | Confident | 81.3 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 121.8 | -166.9 | -168.4 | -34.4 | 0 | 0 | 0 | 110.9 | I66 R70 I71 | I66-D68 PolarHBondContact O-N 3.46Å; D68-R70 PolarHBondContact O-N 3.5Å; D68-R70 VanDerWaalsContact OD1-CB 3.27Å; D68-R70 WeakPolarHBondContact OD1-CB 3.35Å; D68-R70 WeakPolarHBondContact OD1-CG 3.1Å; D68-R70 IonicContact OD1-CZ 3.92Å; D68-R70 PolarHBondContact OD1-N 2.9Å; D68-R70 IonicContact OD1-NE 3.73Å; D68-R70 PolarHBondContact OD1-NE 3.45Å; D68-R70 IonicContact OD1-NH2 3.96Å; D68-R70 IonicContact OD2-CZ 3.1Å; D68-R70 VanDerWaalsContact OD2-CZ 3.26Å; D68-R70 IonicContact OD2-NE 2.73Å; D68-R70 PolarHBondContact OD2-NE 3.3Å; D68-R70 VanDerWaalsContact OD2-NE 3.09Å; D68-R70 IonicContact OD2-NH2 3.22Å; D68-R70 PolarHBondContact OD2-NH2 3.39Å; D68-I71 HydrophobicContact CB-CD1 3.83Å; D68-I71 HydrophobicContact CB-CG1 4Å; D68-I71 WeakPolarHBondContact O-CB 3.37Å; D68-I71 PolarHBondContact O-N 3.22Å |
| 69 | P | 85.6 | Confident | 82.1 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.1 | -23.5 | 179.1 | -23.2 | 31.6 | 0 | 0 | 0 | 114.2 | H67 I71 T72 Q73 E74 V77 A101 Q103 | H67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-I71 VanDerWaalsContact C-N 3.29Å; P69-I71 PolarHBondContact O-N 3.21Å; P69-T72 PolarHBondContact O-OG1 2.84Å; P69-Q73 PolarHBondContact O-N 3.24Å; P69-E74 VanDerWaalsContact CB-O 3.3Å; P69-E74 WeakPolarHBondContact CB-O 2.83Å; P69-E74 PolarHBondContact O-N 2.99Å; P69-E74 VanDerWaalsContact O-N 3.15Å; P69-V77 VanDerWaalsContact CA-CG2 3.49Å; P69-V77 HydrophobicContact CB-CG2 3.79Å; P69-V77 HydrophobicContact CG-CB 4.1Å; P69-V77 HydrophobicContact CG-CG2 3.76Å; P69-A101 HydrophobicContact CG-CB 3.89Å; P69-Q103 HydrophobicContact CB-CB 3.98Å; P69-Q103 HydrophobicContact CG-CB 4.25Å |
| 70 | R | 82.9 | Confident | 83.1 | Confident | 155 Ų | 155 | 65.4 Ų | 65.4 | 59% | 0.585 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.2 | -26 | 177.2 | -61 | 173.1 | -71.9 | -176 | 0.1 | 112.7 | D68 Q103 | D68-R70 PolarHBondContact O-N 3.5Å; D68-R70 VanDerWaalsContact OD1-CB 3.27Å; D68-R70 WeakPolarHBondContact OD1-CB 3.35Å; D68-R70 WeakPolarHBondContact OD1-CG 3.1Å; D68-R70 IonicContact OD1-CZ 3.92Å; D68-R70 PolarHBondContact OD1-N 2.9Å; D68-R70 IonicContact OD1-NE 3.73Å; D68-R70 PolarHBondContact OD1-NE 3.45Å; D68-R70 IonicContact OD1-NH2 3.96Å; D68-R70 IonicContact OD2-CZ 3.1Å; D68-R70 VanDerWaalsContact OD2-CZ 3.26Å; D68-R70 IonicContact OD2-NE 2.73Å; D68-R70 PolarHBondContact OD2-NE 3.3Å; D68-R70 VanDerWaalsContact OD2-NE 3.09Å; D68-R70 IonicContact OD2-NH2 3.22Å; D68-R70 PolarHBondContact OD2-NH2 3.39Å; R70-Q103 HydrophobicContact CG-CG 4.04Å |
| 71 | I | 83.6 | Confident | 84.7 | Confident | 116 Ų | 116 | 55.4 Ų | 55.4 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -76.3 | -42.7 | 178.1 | -62.4 | 172.4 | 0 | 0 | 0 | 110.1 | D68 P69 Q73 | D68-I71 HydrophobicContact CB-CD1 3.83Å; D68-I71 HydrophobicContact CB-CG1 4Å; D68-I71 WeakPolarHBondContact O-CB 3.37Å; D68-I71 PolarHBondContact O-N 3.22Å; P69-I71 VanDerWaalsContact C-N 3.29Å; P69-I71 PolarHBondContact O-N 3.21Å; I71-Q73 VanDerWaalsContact C-N 3.28Å; I71-Q73 PolarHBondContact O-N 3.09Å |
| 72 | T | 80 | Confident | 86.1 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -78.9 | -10.5 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | Q17 H67 P69 E74 | Q17-T72 HydrophobicContact CG-CG2 4.35Å; H67-T72 VanDerWaalsContact CD2-CG2 3.49Å; H67-T72 WeakPolarHBondContact CD2-CG2 2.63Å; P69-T72 PolarHBondContact O-OG1 2.84Å; T72-E74 PolarHBondContact O-N 2.93Å |
| 73 | Q | 81.1 | Confident | 87.4 | Confident | 182 Ų | 182 | 53.2 Ų | 53.2 | 85% | 0.85 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 28.9 | -172.6 | -53.6 | -176.8 | 7 | 0 | 0 | 113.3 | P69 I71 | P69-Q73 PolarHBondContact O-N 3.24Å; I71-Q73 VanDerWaalsContact C-N 3.28Å; I71-Q73 PolarHBondContact O-N 3.09Å |
| 74 | E | 83.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | trans | -106.1 | 155.7 | 176.6 | -66.6 | -169.3 | 179 | 0 | 0 | 112 | Q17 P69 T72 E76 | Q17-E74 PolarHBondContact NE2-OE1 3.33Å; Q17-E74 VanDerWaalsContact NE2-OE1 3.09Å; Q17-E74 PolarHBondContact NE2-OE2 2.7Å; P69-E74 VanDerWaalsContact CB-O 3.3Å; P69-E74 WeakPolarHBondContact CB-O 2.83Å; P69-E74 PolarHBondContact O-N 2.99Å; P69-E74 VanDerWaalsContact O-N 3.15Å; T72-E74 PolarHBondContact O-N 2.93Å; E74-E76 VanDerWaalsContact C-N 3.35Å | ||
| 75 | S | 84.8 | Confident | 88.7 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -75.3 | -25.8 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | T102 Q103 | S75-T102 WeakPolarHBondContact O-CA 3.43Å; S75-Q103 PolarHBondContact O-N 3.28Å |
| 76 | E | 88.3 | Confident | 88.7 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.1 | -179.7 | 65 | 174.8 | -146.8 | 0 | 0 | 111 | E74 K78 A101 T102 | E74-E76 VanDerWaalsContact C-N 3.35Å; E76-K78 VanDerWaalsContact OE1-CE 3.27Å; E76-K78 WeakPolarHBondContact OE1-CE 3.15Å; E76-K78 IonicContact OE1-NZ 3.26Å; E76-K78 PolarHBondContact OE1-NZ 3.49Å; E76-A101 CarbonylContact C-O 3.51Å; E76-A101 VanDerWaalsContact CA-O 3.26Å; E76-A101 WeakPolarHBondContact CA-O 3.09Å; E76-T102 HydrophobicContact CB-CG2 3.91Å |
| 77 | V | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.7 | 172.6 | 171.5 | 0 | 0 | 0 | 0 | 108.3 | Q17 I66 H67 P69 M100 A101 | Q17-V77 HydrophobicContact CB-CG1 4.31Å; I66-V77 HydrophobicContact CG2-CB 4.11Å; I66-V77 HydrophobicContact CG2-CG1 3.73Å; H67-V77 HydrophobicContact CB-CG1 4.19Å; H67-V77 WeakPolarHBondContact O-CG1 2.77Å; P69-V77 VanDerWaalsContact CA-CG2 3.49Å; P69-V77 HydrophobicContact CB-CG2 3.79Å; P69-V77 HydrophobicContact CG-CB 4.1Å; P69-V77 HydrophobicContact CG-CG2 3.76Å; V77-M100 WeakPolarHBondContact O-CA 3.13Å; V77-A101 PolarHBondContact N-O 3.37Å; V77-A101 PolarHBondContact O-N 2.95Å |
| 78 | K | 90.7 | Very high | 88.6 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.7 | 177 | -71.7 | 171.1 | -173.3 | 143.3 | 0 | 109.8 | E76 M100 | E76-K78 VanDerWaalsContact OE1-CE 3.27Å; E76-K78 WeakPolarHBondContact OE1-CE 3.15Å; E76-K78 IonicContact OE1-NZ 3.26Å; E76-K78 PolarHBondContact OE1-NZ 3.49Å; K78-M100 HydrophobicContact CG-CB 4.47Å; K78-M100 HydrophobicContact CG-CG 4.06Å; K78-M100 HydrophobicContact CG-SD 4.36Å |
| 79 | A | 92.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L10 G11 I12 I66 A98 L99 | L10-A79 CarbonylContact O-C 3.55Å; L10-A79 VanDerWaalsContact O-CA 3.29Å; L10-A79 WeakPolarHBondContact O-CA 3.47Å; G11-A79 WeakPolarHBondContact O-CB 3.34Å; I12-A79 HydrophobicContact CD1-CB 3.54Å; I12-A79 HydrophobicContact CG1-CB 4.45Å; I66-A79 HydrophobicContact CB-CB 4.46Å; I66-A79 HydrophobicContact CD1-CB 4.29Å; I66-A79 HydrophobicContact CG1-CB 3.94Å; I66-A79 HydrophobicContact CG2-CB 4.02Å; A79-A98 CarbonylContact O-C 3.56Å; A79-A98 WeakPolarHBondContact O-CA 3.2Å; A79-L99 HydrophobicContact CB-CB 4.09Å; A79-L99 PolarHBondContact N-O 3.02Å; A79-L99 PolarHBondContact O-N 3.16Å; A79-L99 VanDerWaalsContact O-O 3.13Å |
| 80 | K | 93.1 | Very high | 88.5 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 130.3 | 173.4 | -172.3 | 179.4 | 178.9 | -176.1 | 0 | 110.5 | L10 T82 R97 A98 | L10-K80 HydrophobicContact CB-CB 4.41Å; L10-K80 PolarHBondContact N-O 3.34Å; L10-K80 PolarHBondContact O-N 2.95Å; K80-T82 WeakPolarHBondContact CE-OG1 3.32Å; K80-R97 WeakPolarHBondContact CA-O 3.03Å; K80-A98 HydrophobicContact CG-CB 4.45Å |
| 81 | V | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.6 | 169.7 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | M7 S8 I12 C46 Y49 S50 S96 R97 | M7-V81 HydrophobicContact CG-CG1 4.09Å; M7-V81 HydrophobicContact SD-CG1 3.98Å; S8-V81 WeakPolarHBondContact O-CA 3.4Å; I12-V81 HydrophobicContact CD1-CG2 4.02Å; I12-V81 HydrophobicContact CG1-CG2 3.92Å; C46-V81 HydrophobicContact CB-CG1 3.92Å; C46-V81 HydrophobicContact CB-CG2 4.3Å; Y49-V81 HydrophobicContact CD1-CG2 4.27Å; S50-V81 WeakPolarHBondContact OG-CG1 3.12Å; V81-S96 WeakPolarHBondContact O-CA 3.44Å; V81-R97 PolarHBondContact N-O 3.11Å; V81-R97 PolarHBondContact O-N 2.96Å |
| 82 | T | 94.8 | Very high | 89.1 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.6 | 177.9 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | M7 S8 K80 V94 V95 S96 | M7-T82 CarbonylContact C-O 3.54Å; M7-T82 VanDerWaalsContact CA-O 3.29Å; M7-T82 WeakPolarHBondContact CA-O 3.21Å; S8-T82 PolarHBondContact N-O 3.03Å; S8-T82 PolarHBondContact O-N 3.48Å; K80-T82 WeakPolarHBondContact CE-OG1 3.32Å; T82-V94 HydrophobicContact CG2-CG1 3.58Å; T82-V95 CarbonylContact C-O 3.58Å; T82-V95 VanDerWaalsContact CA-O 3.32Å; T82-V95 WeakPolarHBondContact CA-O 3.22Å; T82-S96 WeakPolarHBondContact CG2-OG 3.32Å; T82-S96 PolarHBondContact OG1-OG 3.02Å |
| 83 | L | 95.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122 | -179.3 | -171.7 | 68.2 | 0 | 0 | 0 | 109.6 | I4 M7 L47 I85 V94 V95 M142 | I4-L83 HydrophobicContact CG2-CD1 3.65Å; I4-L83 HydrophobicContact CG2-CG 4.43Å; M7-L83 HydrophobicContact CB-CD1 3.82Å; M7-L83 HydrophobicContact CG-CD1 4.16Å; M7-L83 HydrophobicContact SD-CD1 4.37Å; L47-L83 HydrophobicContact CD2-CD1 3.62Å; L83-I85 HydrophobicContact CD2-CG2 3.7Å; L83-I85 HydrophobicContact CG-CG2 3.72Å; L83-V94 WeakPolarHBondContact O-CA 3.38Å; L83-V95 PolarHBondContact N-O 3.26Å; L83-V95 PolarHBondContact O-N 2.83Å; L83-M142 HydrophobicContact CD2-CE 4.4Å |
| 84 | Q | 94.4 | Very high | 90.3 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.3 | 170.2 | -177.4 | 176.9 | -17.4 | 0 | 0 | 108.7 | E5 R6 M93 V94 | E5-Q84 HydrophobicContact CB-CG 4.19Å; E5-Q84 PolarHBondContact N-O 2.9Å; E5-Q84 WeakPolarHBondContact OE2-CG 3.35Å; E5-Q84 PolarHBondContact OE2-NE2 2.77Å; R6-Q84 HydrophobicContact CB-CB 4.25Å; R6-Q84 PolarHBondContact N-O 2.84Å; R6-Q84 PolarHBondContact O-N 3.22Å; Q84-M93 WeakPolarHBondContact CA-O 3.24Å; Q84-V94 HydrophobicContact CB-CG2 4.33Å; Q84-V94 HydrophobicContact CG-CG2 4.1Å |
| 85 | I | 93 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 163.8 | 178.4 | 65.7 | 170.4 | 0 | 0 | 0 | 109.9 | L3 I4 L83 M93 M142 L146 | L3-I85 CarbonylContact O-C 3.58Å; L3-I85 VanDerWaalsContact O-CA 3.24Å; L3-I85 WeakPolarHBondContact O-CA 3.44Å; L3-I85 WeakPolarHBondContact O-CB 3.49Å; I4-I85 HydrophobicContact CG1-CG2 4.34Å; I4-I85 HydrophobicContact CG2-CG2 4.47Å; L83-I85 HydrophobicContact CD2-CG2 3.7Å; L83-I85 HydrophobicContact CG-CG2 3.72Å; I85-M93 HydrophobicContact CD1-CE 4.39Å; I85-M93 HydrophobicContact CD1-CG 4.44Å; I85-M93 HydrophobicContact CD1-SD 4.33Å; I85-M93 HydrophobicContact CG1-CB 3.96Å; I85-M93 HydrophobicContact CG1-CG 4.18Å; I85-M93 PolarHBondContact N-O 2.7Å; I85-M93 PolarHBondContact O-N 3.46Å; I85-M142 HydrophobicContact CD1-CE 4.02Å; I85-M142 HydrophobicContact CD1-SD 4.26Å; I85-L146 HydrophobicContact CD1-CD2 3.81Å; I85-L146 HydrophobicContact CD1-CG 4.35Å |
| 86 | R | 90.2 | Very high | 91.2 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 32% | 0.317 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.7 | 160.4 | -169.7 | 175 | -63.8 | -93.9 | -3.1 | 107.7 | A2 L3 E5 G90 C91 | A2-R86 CarbonylContact C-O 3.47Å; A2-R86 WeakPolarHBondContact CA-O 3.43Å; A2-R86 WeakPolarHBondContact CB-O 3.37Å; L3-R86 HydrophobicContact CB-CB 4.21Å; L3-R86 PolarHBondContact N-O 2.79Å; L3-R86 PolarHBondContact O-N 2.96Å; E5-R86 IonicContact OE1-CZ 3.08Å; E5-R86 IonicContact OE1-NE 2.59Å; E5-R86 PolarHBondContact OE1-NE 3.21Å; E5-R86 IonicContact OE1-NH2 2.68Å; E5-R86 PolarHBondContact OE1-NH2 2.8Å; R86-G90 WeakPolarHBondContact CD-O 3.49Å; R86-G90 VanDerWaalsContact CG-O 3.28Å; R86-G90 WeakPolarHBondContact CG-O 2.97Å; R86-G90 PolarHBondContact NH1-O 3.21Å; R86-C91 WeakPolarHBondContact CA-O 3.46Å |
| 87 | D | 89.2 | Confident | 91.3 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -74 | 176.9 | -177.4 | 73.8 | 9.6 | 0 | 0 | 0 | 112.7 | K89 G90 C91 R121 S145 | D87-K89 PolarHBondContact O-N 2.84Å; D87-K89 VanDerWaalsContact O-N 3.1Å; D87-K89 VanDerWaalsContact OD1-C 3.3Å; D87-K89 VanDerWaalsContact OD1-CA 3.27Å; D87-K89 WeakPolarHBondContact OD1-CA 3.41Å; D87-K89 WeakPolarHBondContact OD1-CB 3.48Å; D87-K89 PolarHBondContact OD1-N 3.29Å; D87-G90 PolarHBondContact O-N 3.29Å; D87-G90 PolarHBondContact OD1-N 3.29Å; D87-C91 PolarHBondContact N-O 3.46Å; D87-C91 PolarHBondContact OD1-N 3.26Å; D87-C91 WeakPolarHBondContact OD2-CB 3.46Å; D87-R121 IonicContact OD2-CZ 3.82Å; D87-R121 IonicContact OD2-NE 2.91Å; D87-R121 PolarHBondContact OD2-NE 3.42Å; D87-S145 CarbonylContact C-O 3.58Å; D87-S145 WeakPolarHBondContact CA-O 3.28Å | ||
| 88 | V | 87.6 | Confident | 91.4 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.7 | 176.6 | -71.6 | 0 | 0 | 0 | 0 | 114 | M1 A2 S145 L146 H1284 | M1-V88 PolarHBondContact N-O 3.04Å; A2-V88 HydrophobicContact CB-CG1 4.31Å; V88-S145 WeakPolarHBondContact CG1-O 3.23Å; V88-S145 PolarHBondContact N-O 3.4Å; V88-L146 WeakPolarHBondContact CG1-O 3.34Å; V88-H1284 HydrophobicContact CG1-CB 3.87Å |
| 89 | K | 85.3 | Confident | 91.4 | Very high | 175 Ų | 175 | 31 Ų | 31 | 76% | 0.761 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.7 | 178.1 | -61 | -179.7 | 180 | 176.8 | 0 | 113 | D87 | D87-K89 PolarHBondContact O-N 2.84Å; D87-K89 VanDerWaalsContact O-N 3.1Å; D87-K89 VanDerWaalsContact OD1-C 3.3Å; D87-K89 VanDerWaalsContact OD1-CA 3.27Å; D87-K89 WeakPolarHBondContact OD1-CA 3.41Å; D87-K89 WeakPolarHBondContact OD1-CB 3.48Å; D87-K89 PolarHBondContact OD1-N 3.29Å |
| 90 | G | 85.2 | Confident | 91.3 | Very high | 29 Ų | 29 | 32 Ų | 32 | 30% | 0.299 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 87.3 | 5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R86 D87 | R86-G90 WeakPolarHBondContact CD-O 3.49Å; R86-G90 VanDerWaalsContact CG-O 3.28Å; R86-G90 WeakPolarHBondContact CG-O 2.97Å; R86-G90 PolarHBondContact NH1-O 3.21Å; D87-G90 PolarHBondContact O-N 3.29Å; D87-G90 PolarHBondContact OD1-N 3.29Å |
| 91 | C | 88.2 | Confident | 91.1 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | trans | -81.9 | 129.6 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | R86 D87 M93 R121 Q122 | R86-C91 WeakPolarHBondContact CA-O 3.46Å; D87-C91 PolarHBondContact N-O 3.46Å; D87-C91 PolarHBondContact OD1-N 3.26Å; D87-C91 WeakPolarHBondContact OD2-CB 3.46Å; C91-M93 PolarHBondContact O-N 2.95Å; C91-R121 HydrophobicContact CB-CG 4.27Å; C91-Q122 WeakPolarHBondContact CB-O 3.42Å | ||
| 92 | P | 90.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 28.5 Ų | 28.5 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 133.9 | 172.7 | -20.9 | 32.5 | 0 | 0 | 0 | 111.5 | Q122 | P92-Q122 PolarHBondContact O-N 3.36Å |
| 93 | M | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.3 | -177.7 | 172.8 | 169.1 | 155.8 | 0 | 0 | 110.9 | Q84 I85 C91 V95 I119 K120 E141 M142 S145 | Q84-M93 WeakPolarHBondContact CA-O 3.24Å; I85-M93 HydrophobicContact CD1-CE 4.39Å; I85-M93 HydrophobicContact CD1-CG 4.44Å; I85-M93 HydrophobicContact CD1-SD 4.33Å; I85-M93 HydrophobicContact CG1-CB 3.96Å; I85-M93 HydrophobicContact CG1-CG 4.18Å; I85-M93 PolarHBondContact N-O 2.7Å; I85-M93 PolarHBondContact O-N 3.46Å; C91-M93 PolarHBondContact O-N 2.95Å; M93-V95 HydrophobicContact CE-CG2 3.33Å; M93-V95 HydrophobicContact CG-CG2 4.12Å; M93-I119 HydrophobicContact CE-CB 4.38Å; M93-I119 HydrophobicContact CE-CD1 3.53Å; M93-I119 HydrophobicContact CE-CG1 3.86Å; M93-I119 HydrophobicContact CE-CG2 3.61Å; M93-I119 HydrophobicContact CG-CG2 4.02Å; M93-I119 HydrophobicContact SD-CG2 3.97Å; M93-K120 CarbonylContact C-O 3.53Å; M93-K120 VanDerWaalsContact CA-O 3.26Å; M93-K120 WeakPolarHBondContact CA-O 3.24Å; M93-E141 HydrophobicContact CE-CG 4.41Å; M93-M142 HydrophobicContact CE-SD 3.62Å; M93-S145 PolarHBondContact SD-OG 3.18Å |
| 94 | V | 93.4 | Very high | 88.9 | Confident | 46 Ų | 46 | 39.3 Ų | 39.3 | 28% | 0.279 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.3 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | T82 L83 Q84 I119 K120 | T82-V94 HydrophobicContact CG2-CG1 3.58Å; L83-V94 WeakPolarHBondContact O-CA 3.38Å; Q84-V94 HydrophobicContact CB-CG2 4.33Å; Q84-V94 HydrophobicContact CG-CG2 4.1Å; V94-I119 CarbonylContact O-C 3.58Å; V94-I119 WeakPolarHBondContact O-CA 2.96Å; V94-K120 HydrophobicContact CB-CB 4.41Å; V94-K120 PolarHBondContact N-O 3.26Å; V94-K120 PolarHBondContact O-N 3.35Å |
| 95 | V | 93.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.6 | -178.1 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | T82 L83 M93 S118 I119 L138 M142 | T82-V95 CarbonylContact C-O 3.58Å; T82-V95 VanDerWaalsContact CA-O 3.32Å; T82-V95 WeakPolarHBondContact CA-O 3.22Å; L83-V95 PolarHBondContact N-O 3.26Å; L83-V95 PolarHBondContact O-N 2.83Å; M93-V95 HydrophobicContact CE-CG2 3.33Å; M93-V95 HydrophobicContact CG-CG2 4.12Å; V95-S118 CarbonylContact C-O 3.59Å; V95-S118 WeakPolarHBondContact CA-O 3.43Å; V95-I119 HydrophobicContact CB-CG1 4.44Å; V95-I119 HydrophobicContact CG1-CG1 4.24Å; V95-I119 HydrophobicContact CG2-CD1 4.41Å; V95-I119 HydrophobicContact CG2-CG1 3.92Å; V95-L138 HydrophobicContact CG1-CD2 3.62Å; V95-L138 HydrophobicContact CG1-CG 4.34Å; V95-M142 HydrophobicContact CB-SD 4.14Å; V95-M142 HydrophobicContact CG1-SD 4.03Å; V95-M142 HydrophobicContact CG2-CE 4.2Å; V95-M142 HydrophobicContact CG2-SD 3.28Å; V95-M142 WeakPolarHBondContact CG2-SD 3.34Å |
| 96 | S | 92.9 | Very high | 86.4 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | V81 T82 G117 S118 | V81-S96 WeakPolarHBondContact O-CA 3.44Å; T82-S96 WeakPolarHBondContact CG2-OG 3.32Å; T82-S96 PolarHBondContact OG1-OG 3.02Å; S96-G117 CarbonylContact O-C 3.46Å; S96-G117 WeakPolarHBondContact O-CA 3.37Å; S96-S118 PolarHBondContact N-O 3.36Å; S96-S118 PolarHBondContact O-N 3.46Å |
| 97 | R | 92.4 | Very high | 85.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.7 | 168.4 | -64.5 | -172 | -171.6 | -111.7 | 5.8 | 109.2 | Y49 S50 K80 V81 L138 D139 | Y49-R97 HydrophobicContact CD1-CB 4.34Å; Y49-R97 HydrophobicContact CE1-CB 3.55Å; Y49-R97 HydrophobicContact CE1-CG 4.36Å; Y49-R97 VanDerWaalsContact O-CD 3.32Å; Y49-R97 WeakPolarHBondContact O-CD 2.88Å; Y49-R97 PolarHBondContact O-NE 2.8Å; Y49-R97 VanDerWaalsContact O-NE 3.11Å; S50-R97 PolarHBondContact O-NE 3.21Å; S50-R97 PolarHBondContact O-NH2 2.82Å; K80-R97 WeakPolarHBondContact CA-O 3.03Å; V81-R97 PolarHBondContact N-O 3.11Å; V81-R97 PolarHBondContact O-N 2.96Å; R97-L138 HydrophobicContact CG-CD2 3.73Å; R97-L138 VanDerWaalsContact NE-CD2 3.26Å; R97-L138 VanDerWaalsContact NH2-CD2 3.31Å; R97-D139 IonicContact CZ-OD1 3.8Å; R97-D139 IonicContact NH1-OD1 2.64Å; R97-D139 PolarHBondContact NH1-OD1 3.17Å; R97-D139 IonicContact NH2-OD1 3.82Å; R97-D139 PolarHBondContact NH2-OD1 3.35Å |
| 98 | A | 90.7 | Very high | 84 | Confident | 20 Ų | 20 | 58 Ų | 58 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | A79 K80 L115 | A79-A98 CarbonylContact O-C 3.56Å; A79-A98 WeakPolarHBondContact O-CA 3.2Å; K80-A98 HydrophobicContact CG-CB 4.45Å; A98-L115 HydrophobicContact CB-CB 3.96Å; A98-L115 HydrophobicContact CB-CD1 4.04Å; A98-L115 WeakPolarHBondContact O-CB 2.91Å; A98-L115 PolarHBondContact O-N 2.87Å |
| 99 | L | 91.3 | Very high | 83.1 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.6 | 176.4 | -58.9 | 168.2 | 0 | 0 | 0 | 108.9 | Y49 L55 F65 I66 A79 L112 K113 T114 | Y49-L99 HydrophobicContact CE1-CD1 4.08Å; Y49-L99 HydrophobicContact CE1-CG 4.3Å; Y49-L99 HydrophobicContact CE2-CD1 4.33Å; Y49-L99 WeakPolarHBondContact OH-CD2 3.2Å; Y49-L99 VanDerWaalsContact OH-CG 3.27Å; Y49-L99 WeakPolarHBondContact OH-CG 2.76Å; L55-L99 HydrophobicContact CD2-CD1 4.15Å; F65-L99 HydrophobicContact CD1-CD1 4.12Å; I66-L99 HydrophobicContact CD1-CB 3.55Å; I66-L99 HydrophobicContact CD1-CD1 4.39Å; I66-L99 HydrophobicContact CG1-CB 4.21Å; I66-L99 HydrophobicContact CG1-CD1 4.34Å; A79-L99 HydrophobicContact CB-CB 4.09Å; A79-L99 PolarHBondContact N-O 3.02Å; A79-L99 PolarHBondContact O-N 3.16Å; A79-L99 VanDerWaalsContact O-O 3.13Å; L99-L112 HydrophobicContact CB-CD1 4.27Å; L99-L112 HydrophobicContact CD1-CD1 4.47Å; L99-L112 HydrophobicContact CD2-CD1 4.38Å; L99-K113 CarbonylContact C-O 3.55Å; L99-K113 WeakPolarHBondContact CA-O 3.48Å; L99-T114 HydrophobicContact CD2-CG2 3.84Å; L99-T114 WeakPolarHBondContact CD2-OG1 3.37Å |
| 100 | M | 89.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 56 Ų | 56 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121.6 | 176.7 | -173.7 | 176.6 | 81.6 | 0 | 0 | 109.3 | V77 K78 T102 L112 K113 L115 | V77-M100 WeakPolarHBondContact O-CA 3.13Å; K78-M100 HydrophobicContact CG-CB 4.47Å; K78-M100 HydrophobicContact CG-CG 4.06Å; K78-M100 HydrophobicContact CG-SD 4.36Å; M100-T102 HydrophobicContact CE-CG2 3.77Å; M100-T102 HydrophobicContact CG-CG2 4.22Å; M100-L112 CarbonylContact O-C 3.58Å; M100-K113 HydrophobicContact CB-CB 4.35Å; M100-K113 HydrophobicContact CE-CB 4.15Å; M100-K113 HydrophobicContact CE-CD 3.69Å; M100-K113 PolarHBondContact N-O 3.18Å; M100-K113 PolarHBondContact O-N 2.78Å; M100-L115 HydrophobicContact CB-CD1 4.32Å; M100-L115 HydrophobicContact CB-CG 4.44Å |
| 101 | A | 88.3 | Confident | 82.3 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | I66 P69 E76 V77 T111 | I66-A101 HydrophobicContact CB-CB 3.93Å; I66-A101 HydrophobicContact CD1-CB 3.79Å; I66-A101 HydrophobicContact CG1-CB 4.45Å; I66-A101 HydrophobicContact CG2-CB 3.67Å; P69-A101 HydrophobicContact CG-CB 3.89Å; E76-A101 CarbonylContact C-O 3.51Å; E76-A101 VanDerWaalsContact CA-O 3.26Å; E76-A101 WeakPolarHBondContact CA-O 3.09Å; V77-A101 PolarHBondContact N-O 3.37Å; V77-A101 PolarHBondContact O-N 2.95Å; A101-T111 WeakPolarHBondContact CA-O 3.31Å |
| 102 | T | 85.6 | Confident | 82.1 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135 | 172.8 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | S75 E76 M100 G110 T111 | S75-T102 WeakPolarHBondContact O-CA 3.43Å; E76-T102 HydrophobicContact CB-CG2 3.91Å; M100-T102 HydrophobicContact CE-CG2 3.77Å; M100-T102 HydrophobicContact CG-CG2 4.22Å; T102-G110 CarbonylContact O-C 3.59Å; T102-G110 WeakPolarHBondContact O-CA 3.36Å; T102-T111 PolarHBondContact N-O 3.37Å; T102-T111 PolarHBondContact O-N 3.3Å; T102-T111 PolarHBondContact OG1-O 3.07Å; T102-T111 PolarHBondContact OG1-OG1 2.77Å |
| 103 | Q | 80.9 | Confident | 81.9 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | trans | -121.3 | 99 | -179.5 | -170.5 | 65.9 | 46.8 | 0 | 0 | 108.9 | P69 R70 S75 D105 K108 | P69-Q103 HydrophobicContact CB-CB 3.98Å; P69-Q103 HydrophobicContact CG-CB 4.25Å; R70-Q103 HydrophobicContact CG-CG 4.04Å; S75-Q103 PolarHBondContact O-N 3.28Å; Q103-D105 PolarHBondContact NE2-O 2.88Å; Q103-K108 PolarHBondContact NE2-O 2.96Å | ||
| 104 | R | 73.1 | Confident | 81.6 | Confident | 231 Ų | 231 | 68.2 Ų | 68.2 | 87% | 0.872 | 34% | 0.34 | S | S | * | . | trans | -89.9 | -32.9 | -177.4 | -66.1 | -175.4 | -178.7 | -179.7 | -0.6 | 114.1 | ||||
| 105 | D | 69.9 | Low | 81.2 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | trans | -126.6 | 134 | -175.6 | -97.1 | -31.4 | 0 | 0 | 0 | 110.1 | Q103 T107 K108 | Q103-D105 PolarHBondContact NE2-O 2.88Å; D105-T107 PolarHBondContact O-N 3.3Å; D105-T107 VanDerWaalsContact O-N 3.09Å; D105-K108 HydrophobicContact CB-CB 4.03Å; D105-K108 HydrophobicContact CB-CD 4.16Å; D105-K108 HydrophobicContact CB-CG 4.08Å; D105-K108 PolarHBondContact O-N 3.17Å; D105-K108 WeakPolarHBondContact OD2-CD 3.48Å; D105-K108 WeakPolarHBondContact OD2-CE 3.48Å; D105-K108 IonicContact OD2-NZ 3.95Å; D105-K108 PolarHBondContact OD2-NZ 3.47Å | ||
| 106 | K | 64.6 | Low | 80.7 | Confident | 207 Ų | 207 | 74.1 Ų | 74.1 | 90% | 0.9 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.1 | 179.6 | -69.4 | -174.9 | 178.8 | -178.4 | 0 | 114.2 | ||
| 107 | T | 63 | Low | 80.4 | Confident | 133 Ų | 133 | 73.6 Ų | 73.6 | 82% | 0.816 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -15.3 | -174.5 | 52 | 0 | 0 | 0 | 0 | 114.5 | D105 | D105-T107 PolarHBondContact O-N 3.3Å; D105-T107 VanDerWaalsContact O-N 3.09Å |
| 108 | K | 66.3 | Low | 80.3 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -96 | 152 | -178.4 | -69.6 | -178.5 | -175.1 | 141 | 0 | 111.3 | Q103 D105 G110 | Q103-K108 PolarHBondContact NE2-O 2.96Å; D105-K108 HydrophobicContact CB-CB 4.03Å; D105-K108 HydrophobicContact CB-CD 4.16Å; D105-K108 HydrophobicContact CB-CG 4.08Å; D105-K108 PolarHBondContact O-N 3.17Å; D105-K108 WeakPolarHBondContact OD2-CD 3.48Å; D105-K108 WeakPolarHBondContact OD2-CE 3.48Å; D105-K108 IonicContact OD2-NZ 3.95Å; D105-K108 PolarHBondContact OD2-NZ 3.47Å; K108-G110 PolarHBondContact O-N 2.7Å |
| 109 | Q | 68.1 | Low | 80.2 | Confident | 160 Ų | 160 | 74.6 Ų | 74.6 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -62 | 136.3 | 167.9 | -70 | -179.2 | -5 | 0 | 0 | 109.4 | ||
| 110 | G | 72.2 | Confident | 80.2 | Confident | 16 Ų | 16 | 79.8 Ų | 79.8 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 164.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C63 T102 K108 | C63-G110 PolarHBondContact SG-O 3.01Å; T102-G110 CarbonylContact O-C 3.59Å; T102-G110 WeakPolarHBondContact O-CA 3.36Å; K108-G110 PolarHBondContact O-N 2.7Å |
| 111 | T | 81.9 | Confident | 80.2 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.6 | 177.2 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | A101 T102 | A101-T111 WeakPolarHBondContact CA-O 3.31Å; T102-T111 PolarHBondContact N-O 3.37Å; T102-T111 PolarHBondContact O-N 3.3Å; T102-T111 PolarHBondContact OG1-O 3.07Å; T102-T111 PolarHBondContact OG1-OG1 2.77Å |
| 112 | L | 84.7 | Confident | 80.3 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.7 | 177.2 | -179.7 | 79.9 | 0 | 0 | 0 | 110.2 | L55 T61 C63 I66 L99 M100 | L55-L112 HydrophobicContact CD1-CD2 4.22Å; T61-L112 WeakPolarHBondContact O-CB 2.8Å; C63-L112 PolarHBondContact SG-N 2.93Å; I66-L112 HydrophobicContact CD1-CD1 3.27Å; I66-L112 HydrophobicContact CG1-CD1 4.14Å; L99-L112 HydrophobicContact CB-CD1 4.27Å; L99-L112 HydrophobicContact CD1-CD1 4.47Å; L99-L112 HydrophobicContact CD2-CD1 4.38Å; M100-L112 CarbonylContact O-C 3.58Å |
| 113 | K | 86.1 | Confident | 80.3 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.1 | 166.9 | -172.4 | 179 | -177.6 | -178.7 | 0 | 109.3 | L99 M100 L115 | L99-K113 CarbonylContact C-O 3.55Å; L99-K113 WeakPolarHBondContact CA-O 3.48Å; M100-K113 HydrophobicContact CB-CB 4.35Å; M100-K113 HydrophobicContact CE-CB 4.15Å; M100-K113 HydrophobicContact CE-CD 3.69Å; M100-K113 PolarHBondContact N-O 3.18Å; M100-K113 PolarHBondContact O-N 2.78Å; K113-L115 HydrophobicContact CD-CD2 4.35Å; K113-L115 HydrophobicContact CG-CD2 4.45Å |
| 114 | T | 85.4 | Confident | 80.2 | Confident | 70 Ų | 70 | 92.1 Ų | 92.1 | 43% | 0.429 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.7 | 171.1 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | L99 C135 | L99-T114 HydrophobicContact CD2-CG2 3.84Å; L99-T114 WeakPolarHBondContact CD2-OG1 3.37Å; T114-C135 WeakPolarHBondContact CG2-SG 3.47Å |
| 115 | L | 85.6 | Confident | 80.7 | Confident | 53 Ų | 53 | 85.8 Ų | 85.8 | 28% | 0.277 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 161.2 | 178.4 | -59.2 | 176.2 | 0 | 0 | 0 | 109.9 | A98 M100 K113 G117 | A98-L115 HydrophobicContact CB-CB 3.96Å; A98-L115 HydrophobicContact CB-CD1 4.04Å; A98-L115 WeakPolarHBondContact O-CB 2.91Å; A98-L115 PolarHBondContact O-N 2.87Å; M100-L115 HydrophobicContact CB-CD1 4.32Å; M100-L115 HydrophobicContact CB-CG 4.44Å; K113-L115 HydrophobicContact CD-CD2 4.35Å; K113-L115 HydrophobicContact CG-CD2 4.45Å; L115-G117 PolarHBondContact O-N 3.34Å |
| 116 | D | 82 | Confident | 81.2 | Confident | 117 Ų | 117 | 84.6 Ų | 84.6 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 133.5 | -179.9 | -71.7 | -21.6 | 0 | 0 | 0 | 111.3 | ||
| 117 | G | 86.5 | Confident | 82 | Confident | 2 Ų | 2 | 83.3 Ų | 83.3 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 157.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S96 L115 S132 L133 | S96-G117 CarbonylContact O-C 3.46Å; S96-G117 WeakPolarHBondContact O-CA 3.37Å; L115-G117 PolarHBondContact O-N 3.34Å; G117-S132 WeakPolarHBondContact O-CA 3.39Å; G117-L133 PolarHBondContact N-O 3.3Å; G117-L133 PolarHBondContact O-N 3.44Å |
| 118 | S | 89.7 | Confident | 83.1 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.3 | 174.4 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | V95 S96 V131 | V95-S118 CarbonylContact C-O 3.59Å; V95-S118 WeakPolarHBondContact CA-O 3.43Å; S96-S118 PolarHBondContact N-O 3.36Å; S96-S118 PolarHBondContact O-N 3.46Å; S118-V131 WeakPolarHBondContact CA-O 3.13Å |
| 119 | I | 90.3 | Very high | 84 | Confident | 8 Ų | 8 | 77.8 Ų | 77.8 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.4 | 170.6 | -73.9 | 174.7 | 0 | 0 | 0 | 108.1 | M93 V94 V95 S130 V131 L133 L138 E141 | M93-I119 HydrophobicContact CE-CB 4.38Å; M93-I119 HydrophobicContact CE-CD1 3.53Å; M93-I119 HydrophobicContact CE-CG1 3.86Å; M93-I119 HydrophobicContact CE-CG2 3.61Å; M93-I119 HydrophobicContact CG-CG2 4.02Å; M93-I119 HydrophobicContact SD-CG2 3.97Å; V94-I119 CarbonylContact O-C 3.58Å; V94-I119 WeakPolarHBondContact O-CA 2.96Å; V95-I119 HydrophobicContact CB-CG1 4.44Å; V95-I119 HydrophobicContact CG1-CG1 4.24Å; V95-I119 HydrophobicContact CG2-CD1 4.41Å; V95-I119 HydrophobicContact CG2-CG1 3.92Å; I119-S130 CarbonylContact O-C 3.55Å; I119-S130 WeakPolarHBondContact O-CA 3.4Å; I119-V131 PolarHBondContact N-O 3.43Å; I119-V131 PolarHBondContact O-N 2.86Å; I119-L133 HydrophobicContact CD1-CD1 3.93Å; I119-L133 HydrophobicContact CG1-CD1 4.46Å; I119-L138 HydrophobicContact CD1-CD1 3.87Å; I119-L138 HydrophobicContact CD1-CG 3.77Å; I119-L138 HydrophobicContact CG1-CD1 3.7Å; I119-L138 HydrophobicContact CG1-CG 4.08Å; I119-E141 HydrophobicContact CD1-CB 3.8Å; I119-E141 HydrophobicContact CD1-CG 3.62Å |
| 120 | K | 90.7 | Very high | 84.8 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.1 | 169.9 | -64.9 | -174.8 | 179.1 | -176.5 | 0 | 109.1 | M93 V94 T129 | M93-K120 CarbonylContact C-O 3.53Å; M93-K120 VanDerWaalsContact CA-O 3.26Å; M93-K120 WeakPolarHBondContact CA-O 3.24Å; V94-K120 HydrophobicContact CB-CB 4.41Å; V94-K120 PolarHBondContact N-O 3.26Å; V94-K120 PolarHBondContact O-N 3.35Å; K120-T129 CarbonylContact C-O 3.51Å; K120-T129 VanDerWaalsContact CA-O 3.23Å; K120-T129 WeakPolarHBondContact CA-O 3.42Å |
| 121 | R | 89.5 | Confident | 85.2 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.9 | 177.5 | -179.3 | -177.3 | -76.6 | 143 | 3.5 | 110.2 | D87 C91 Y123 V128 T129 E141 S145 | D87-R121 IonicContact OD2-CZ 3.82Å; D87-R121 IonicContact OD2-NE 2.91Å; D87-R121 PolarHBondContact OD2-NE 3.42Å; C91-R121 HydrophobicContact CB-CG 4.27Å; R121-Y123 HydrophobicContact CG-CE1 4.34Å; R121-Y123 HydrophobicContact CG-CE2 4.44Å; R121-V128 WeakPolarHBondContact O-CA 3.38Å; R121-T129 PolarHBondContact N-O 2.89Å; R121-T129 PolarHBondContact O-N 3.38Å; R121-T129 PolarHBondContact O-OG1 3.5Å; R121-E141 IonicContact CZ-OE1 2.74Å; R121-E141 IonicContact NH1-OE1 2.75Å; R121-E141 PolarHBondContact NH1-OE1 3.38Å; R121-E141 IonicContact NH2-OE1 3.85Å; R121-E141 PolarHBondContact NH2-OE1 3.12Å; R121-S145 PolarHBondContact NH2-OG 3.16Å |
| 122 | Q | 89.9 | Confident | 85.1 | Confident | 98 Ų | 98 | 76.4 Ų | 76.4 | 46% | 0.458 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.6 | 173.5 | -175.2 | 175.1 | 9.3 | 0 | 0 | 109.5 | C91 P92 V128 | C91-Q122 WeakPolarHBondContact CB-O 3.42Å; P92-Q122 PolarHBondContact O-N 3.36Å; Q122-V128 HydrophobicContact CB-CG2 4.35Å; Q122-V128 HydrophobicContact CG-CG2 4.13Å |
| 123 | Y | 85.7 | Confident | 84.6 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | trans | -84.1 | 161.7 | 179.1 | -69 | -76.8 | 0 | 0 | 0 | 111.7 | R121 D125 G126 R127 T129 | R121-Y123 HydrophobicContact CG-CE1 4.34Å; R121-Y123 HydrophobicContact CG-CE2 4.44Å; Y123-D125 WeakPolarHBondContact CB-OD1 3.04Å; Y123-D125 PolarHBondContact O-N 2.96Å; Y123-G126 PolarHBondContact O-N 3.47Å; Y123-R127 HydrophobicContact CD2-CB 4.39Å; Y123-R127 WeakPolarHBondContact CD2-O 3.24Å; Y123-R127 PolarHBondContact N-O 3.01Å; Y123-T129 HydrophobicContact CD2-CG2 4.3Å; Y123-T129 HydrophobicContact CE2-CG2 3.63Å; Y123-T129 VanDerWaalsContact CE2-OG1 3.27Å; Y123-T129 WeakPolarHBondContact CE2-OG1 3.5Å | ||
| 124 | P | 79.9 | Confident | 84.1 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 80% | 0.799 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.7 | -179.6 | -23.3 | 35 | 0 | 0 | 0 | 114.3 | G126 | P124-G126 PolarHBondContact O-N 2.66Š|
| 125 | D | 82 | Confident | 83.4 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 2.9 | 175.8 | 67.6 | -10.3 | 0 | 0 | 0 | 113.4 | Y123 R127 | Y123-D125 WeakPolarHBondContact CB-OD1 3.04Å; Y123-D125 PolarHBondContact O-N 2.96Å; D125-R127 VanDerWaalsContact C-N 3.31Å; D125-R127 VanDerWaalsContact OD1-CB 3.31Å; D125-R127 WeakPolarHBondContact OD1-CB 3.26Å; D125-R127 WeakPolarHBondContact OD1-CG 3.23Å; D125-R127 PolarHBondContact OD1-N 3.36Å; D125-R127 WeakPolarHBondContact OD2-CD 3.45Å; D125-R127 VanDerWaalsContact OD2-CG 3.31Å; D125-R127 WeakPolarHBondContact OD2-CG 3.31Å; D125-R127 IonicContact OD2-CZ 3.4Å; D125-R127 IonicContact OD2-NE 2.87Å; D125-R127 PolarHBondContact OD2-NE 2.86Å; D125-R127 VanDerWaalsContact OD2-NE 3.14Å |
| 126 | G | 80.4 | Confident | 82.7 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 84.5 | -4.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y123 P124 V128 | Y123-G126 PolarHBondContact O-N 3.47Å; P124-G126 PolarHBondContact O-N 2.66Å; G126-V128 PolarHBondContact O-N 2.95Å |
| 127 | R | 82.7 | Confident | 82.8 | Confident | 181 Ų | 181 | 77 Ų | 77 | 68% | 0.683 | 42% | 0.416 | S | S | * | . | trans | -69.5 | 130.2 | 177.9 | -66.1 | -178.3 | -170.5 | -174.1 | 0.4 | 110.4 | Y123 D125 | Y123-R127 HydrophobicContact CD2-CB 4.39Å; Y123-R127 WeakPolarHBondContact CD2-O 3.24Å; Y123-R127 PolarHBondContact N-O 3.01Å; D125-R127 VanDerWaalsContact C-N 3.31Å; D125-R127 VanDerWaalsContact OD1-CB 3.31Å; D125-R127 WeakPolarHBondContact OD1-CB 3.26Å; D125-R127 WeakPolarHBondContact OD1-CG 3.23Å; D125-R127 PolarHBondContact OD1-N 3.36Å; D125-R127 WeakPolarHBondContact OD2-CD 3.45Å; D125-R127 VanDerWaalsContact OD2-CG 3.31Å; D125-R127 WeakPolarHBondContact OD2-CG 3.31Å; D125-R127 IonicContact OD2-CZ 3.4Å; D125-R127 IonicContact OD2-NE 2.87Å; D125-R127 PolarHBondContact OD2-NE 2.86Å; D125-R127 VanDerWaalsContact OD2-NE 3.14Å | ||
| 128 | V | 85.7 | Confident | 82.9 | Confident | 93 Ų | 93 | 77 Ų | 77 | 56% | 0.564 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.9 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | R121 Q122 G126 | R121-V128 WeakPolarHBondContact O-CA 3.38Å; Q122-V128 HydrophobicContact CB-CG2 4.35Å; Q122-V128 HydrophobicContact CG-CG2 4.13Å; G126-V128 PolarHBondContact O-N 2.95Å |
| 129 | T | 85.2 | Confident | 82.8 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.8 | 172.6 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | K120 R121 Y123 | K120-T129 CarbonylContact C-O 3.51Å; K120-T129 VanDerWaalsContact CA-O 3.23Å; K120-T129 WeakPolarHBondContact CA-O 3.42Å; R121-T129 PolarHBondContact N-O 2.89Å; R121-T129 PolarHBondContact O-N 3.38Å; R121-T129 PolarHBondContact O-OG1 3.5Å; Y123-T129 HydrophobicContact CD2-CG2 4.3Å; Y123-T129 HydrophobicContact CE2-CG2 3.63Å; Y123-T129 VanDerWaalsContact CE2-OG1 3.27Å; Y123-T129 WeakPolarHBondContact CE2-OG1 3.5Å |
| 130 | S | 84.3 | Confident | 82.7 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 114 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | I119 | I119-S130 CarbonylContact O-C 3.55Å; I119-S130 WeakPolarHBondContact O-CA 3.4Å |
| 131 | V | 81.1 | Confident | 82.5 | Confident | 69 Ų | 69 | 80 Ų | 80 | 42% | 0.418 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.6 | -178.9 | -167.2 | 0 | 0 | 0 | 0 | 108.6 | S118 I119 L133 | S118-V131 WeakPolarHBondContact CA-O 3.13Å; I119-V131 PolarHBondContact N-O 3.43Å; I119-V131 PolarHBondContact O-N 2.86Å; V131-L133 HydrophobicContact CB-CD1 4.49Å; V131-L133 HydrophobicContact CB-CG 4.32Å; V131-L133 HydrophobicContact CG1-CD1 4.36Å; V131-L133 HydrophobicContact CG1-CD2 3.79Å; V131-L133 HydrophobicContact CG1-CG 3.78Å |
| 132 | S | 80.2 | Confident | 82.5 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 58% | 0.58 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.3 | 166.7 | -166.2 | 0 | 0 | 0 | 0 | 107.8 | G117 | G117-S132 WeakPolarHBondContact O-CA 3.39Å |
| 133 | L | 74.7 | Confident | 82.4 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 20% | 0.199 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.6 | -173.5 | -70.5 | 163.2 | 0 | 0 | 0 | 109.9 | G117 I119 V131 D137 L138 | G117-L133 PolarHBondContact N-O 3.3Å; G117-L133 PolarHBondContact O-N 3.44Å; I119-L133 HydrophobicContact CD1-CD1 3.93Å; I119-L133 HydrophobicContact CG1-CD1 4.46Å; V131-L133 HydrophobicContact CB-CD1 4.49Å; V131-L133 HydrophobicContact CB-CG 4.32Å; V131-L133 HydrophobicContact CG1-CD1 4.36Å; V131-L133 HydrophobicContact CG1-CD2 3.79Å; V131-L133 HydrophobicContact CG1-CG 3.78Å; L133-D137 HydrophobicContact CB-CB 4.33Å; L133-D137 HydrophobicContact CD2-CB 3.93Å; L133-L138 HydrophobicContact CB-CB 4.3Å; L133-L138 HydrophobicContact CB-CD1 4.04Å; L133-L138 HydrophobicContact CD1-CD1 4.43Å |
| 134 | R | 75.1 | Confident | 82.6 | Confident | 185 Ų | 185 | 76.3 Ų | 76.3 | 70% | 0.698 | 42% | 0.423 | S | S | * | . | trans | -68.9 | 155.1 | 165.4 | -68.4 | -177.8 | 178.9 | 178 | 1.4 | 109.3 | T136 D137 L138 | R134-T136 VanDerWaalsContact C-N 3.27Å; R134-T136 PolarHBondContact O-N 3.42Å; R134-T136 VanDerWaalsContact O-N 3.16Å; R134-D137 PolarHBondContact O-N 3.06Å; R134-L138 PolarHBondContact O-N 2.83Å | ||
| 135 | C | 70.8 | Confident | 83 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 28% | 0.284 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -53.8 | -39.9 | -173.9 | -72.4 | 0 | 0 | 0 | 0 | 113.9 | T114 D137 L138 D139 | T114-C135 WeakPolarHBondContact CG2-SG 3.47Å; C135-D137 PolarHBondContact O-N 3.3Å; C135-L138 PolarHBondContact O-N 3.23Å; C135-D139 PolarHBondContact O-N 3.43Å |
| 136 | T | 71.4 | Confident | 83.3 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64 | -37.6 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | R134 Q140 | R134-T136 VanDerWaalsContact C-N 3.27Å; R134-T136 PolarHBondContact O-N 3.42Å; R134-T136 VanDerWaalsContact O-N 3.16Å; T136-Q140 PolarHBondContact O-N 3.14Å |
| 137 | D | 83.2 | Confident | 83.5 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.7 | -35 | -179.5 | -55 | -27.1 | 0 | 0 | 0 | 109.9 | L133 R134 C135 Q140 E141 | L133-D137 HydrophobicContact CB-CB 4.33Å; L133-D137 HydrophobicContact CD2-CB 3.93Å; R134-D137 PolarHBondContact O-N 3.06Å; C135-D137 PolarHBondContact O-N 3.3Å; D137-Q140 PolarHBondContact O-N 2.89Å; D137-E141 WeakPolarHBondContact O-CB 3.37Å; D137-E141 PolarHBondContact O-N 3.2Å |
| 138 | L | 87.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 172.9 | -154.6 | 114.9 | 0 | 0 | 0 | 111.3 | V95 R97 I119 L133 R134 C135 Q140 E141 M142 | V95-L138 HydrophobicContact CG1-CD2 3.62Å; V95-L138 HydrophobicContact CG1-CG 4.34Å; R97-L138 HydrophobicContact CG-CD2 3.73Å; R97-L138 VanDerWaalsContact NE-CD2 3.26Å; R97-L138 VanDerWaalsContact NH2-CD2 3.31Å; I119-L138 HydrophobicContact CD1-CD1 3.87Å; I119-L138 HydrophobicContact CD1-CG 3.77Å; I119-L138 HydrophobicContact CG1-CD1 3.7Å; I119-L138 HydrophobicContact CG1-CG 4.08Å; L133-L138 HydrophobicContact CB-CB 4.3Å; L133-L138 HydrophobicContact CB-CD1 4.04Å; L133-L138 HydrophobicContact CD1-CD1 4.43Å; R134-L138 PolarHBondContact O-N 2.83Å; C135-L138 PolarHBondContact O-N 3.23Å; L138-Q140 PolarHBondContact O-N 3.43Å; L138-E141 PolarHBondContact O-N 2.99Å; L138-M142 WeakPolarHBondContact O-CB 3.06Å; L138-M142 VanDerWaalsContact O-CG 3.24Å; L138-M142 WeakPolarHBondContact O-CG 3.46Å; L138-M142 PolarHBondContact O-N 3.2Å |
| 139 | D | 88.6 | Confident | 83.7 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.6 | -64.5 | -6.1 | 0 | 0 | 0 | 111.7 | R97 C135 M142 V143 K150 | R97-D139 IonicContact CZ-OD1 3.8Å; R97-D139 IonicContact NH1-OD1 2.64Å; R97-D139 PolarHBondContact NH1-OD1 3.17Å; R97-D139 IonicContact NH2-OD1 3.82Å; R97-D139 PolarHBondContact NH2-OD1 3.35Å; C135-D139 PolarHBondContact O-N 3.43Å; D139-M142 PolarHBondContact O-N 2.7Å; D139-V143 WeakPolarHBondContact O-CG2 3.45Å; D139-V143 PolarHBondContact O-N 2.97Å; D139-K150 IonicContact OD2-NZ 3.85Å |
| 140 | Q | 87.2 | Confident | 83.8 | Confident | 135 Ų | 135 | 54.9 Ų | 54.9 | 63% | 0.631 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 178 | -70.9 | -177.4 | 17.6 | 0 | 0 | 112 | T136 D137 L138 M142 V143 T144 | T136-Q140 PolarHBondContact O-N 3.14Å; D137-Q140 PolarHBondContact O-N 2.89Å; L138-Q140 PolarHBondContact O-N 3.43Å; Q140-M142 VanDerWaalsContact C-N 3.3Å; Q140-M142 PolarHBondContact O-N 3.36Å; Q140-V143 PolarHBondContact O-N 2.73Å; Q140-T144 WeakPolarHBondContact O-CB 3.49Å; Q140-T144 PolarHBondContact O-N 3.19Å; Q140-T144 PolarHBondContact O-OG1 3.21Å |
| 141 | E | 87.3 | Confident | 84 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 176.4 | -171.3 | 62.5 | -167.2 | 0 | 0 | 111 | M93 I119 R121 D137 L138 T144 S145 | M93-E141 HydrophobicContact CE-CG 4.41Å; I119-E141 HydrophobicContact CD1-CB 3.8Å; I119-E141 HydrophobicContact CD1-CG 3.62Å; R121-E141 IonicContact CZ-OE1 2.74Å; R121-E141 IonicContact NH1-OE1 2.75Å; R121-E141 PolarHBondContact NH1-OE1 3.38Å; R121-E141 IonicContact NH2-OE1 3.85Å; R121-E141 PolarHBondContact NH2-OE1 3.12Å; D137-E141 WeakPolarHBondContact O-CB 3.37Å; D137-E141 PolarHBondContact O-N 3.2Å; L138-E141 PolarHBondContact O-N 2.99Å; E141-T144 PolarHBondContact O-N 3.3Å; E141-S145 WeakPolarHBondContact O-CB 3.49Å; E141-S145 PolarHBondContact O-N 3.23Å; E141-S145 PolarHBondContact O-OG 3.41Å |
| 142 | M | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 175 | -76.3 | -58 | -71 | 0 | 0 | 112.7 | A51 L83 I85 M93 V95 L138 D139 Q140 T144 S145 L146 | A51-M142 HydrophobicContact CB-CE 4.42Å; A51-M142 WeakPolarHBondContact O-CB 3.5Å; L83-M142 HydrophobicContact CD2-CE 4.4Å; I85-M142 HydrophobicContact CD1-CE 4.02Å; I85-M142 HydrophobicContact CD1-SD 4.26Å; M93-M142 HydrophobicContact CE-SD 3.62Å; V95-M142 HydrophobicContact CB-SD 4.14Å; V95-M142 HydrophobicContact CG1-SD 4.03Å; V95-M142 HydrophobicContact CG2-CE 4.2Å; V95-M142 HydrophobicContact CG2-SD 3.28Å; V95-M142 WeakPolarHBondContact CG2-SD 3.34Å; L138-M142 WeakPolarHBondContact O-CB 3.06Å; L138-M142 VanDerWaalsContact O-CG 3.24Å; L138-M142 WeakPolarHBondContact O-CG 3.46Å; L138-M142 PolarHBondContact O-N 3.2Å; D139-M142 PolarHBondContact O-N 2.7Å; Q140-M142 VanDerWaalsContact C-N 3.3Å; Q140-M142 PolarHBondContact O-N 3.36Å; M142-T144 PolarHBondContact O-N 3.46Å; M142-S145 PolarHBondContact O-N 3.19Å; M142-L146 HydrophobicContact CE-CD1 3.99Å; M142-L146 HydrophobicContact CE-CG 4.4Å; M142-L146 WeakPolarHBondContact O-CB 3.08Å; M142-L146 WeakPolarHBondContact O-CG 3.17Å; M142-L146 PolarHBondContact O-N 3.46Å |
| 143 | V | 88.6 | Confident | 84.9 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.6 | -42 | 175.5 | 162.1 | 0 | 0 | 0 | 0 | 110.9 | D139 Q140 G147 V148 K150 L153 | D139-V143 WeakPolarHBondContact O-CG2 3.45Å; D139-V143 PolarHBondContact O-N 2.97Å; Q140-V143 PolarHBondContact O-N 2.73Å; V143-G147 WeakPolarHBondContact O-CA 3.44Å; V143-G147 PolarHBondContact O-N 3.47Å; V143-V148 WeakPolarHBondContact CG1-O 3.3Å; V143-V148 PolarHBondContact O-N 2.69Å; V143-K150 HydrophobicContact CG2-CB 3.99Å; V143-L153 HydrophobicContact CG2-CD1 4.28Å |
| 144 | T | 88.2 | Confident | 85.6 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 57% | 0.571 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -70 | -43.6 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | Q140 E141 M142 G147 | Q140-T144 WeakPolarHBondContact O-CB 3.49Å; Q140-T144 PolarHBondContact O-N 3.19Å; Q140-T144 PolarHBondContact O-OG1 3.21Å; E141-T144 PolarHBondContact O-N 3.3Å; M142-T144 PolarHBondContact O-N 3.46Å; T144-G147 PolarHBondContact O-N 3.43Å |
| 145 | S | 88.1 | Confident | 86.2 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -36 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | D87 V88 M93 R121 E141 M142 | D87-S145 CarbonylContact C-O 3.58Å; D87-S145 WeakPolarHBondContact CA-O 3.28Å; V88-S145 WeakPolarHBondContact CG1-O 3.23Å; V88-S145 PolarHBondContact N-O 3.4Å; M93-S145 PolarHBondContact SD-OG 3.18Å; R121-S145 PolarHBondContact NH2-OG 3.16Å; E141-S145 WeakPolarHBondContact O-CB 3.49Å; E141-S145 PolarHBondContact O-N 3.23Å; E141-S145 PolarHBondContact O-OG 3.41Å; M142-S145 PolarHBondContact O-N 3.19Å |
| 146 | L | 88.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -83 | -21 | 175.1 | -65.8 | 176.8 | 0 | 0 | 0 | 112.3 | A2 A51 I85 V88 M142 V148 L153 | A2-L146 HydrophobicContact CB-CD2 3.81Å; A51-L146 HydrophobicContact CB-CD1 4.28Å; I85-L146 HydrophobicContact CD1-CD2 3.81Å; I85-L146 HydrophobicContact CD1-CG 4.35Å; V88-L146 WeakPolarHBondContact CG1-O 3.34Å; M142-L146 HydrophobicContact CE-CD1 3.99Å; M142-L146 HydrophobicContact CE-CG 4.4Å; M142-L146 WeakPolarHBondContact O-CB 3.08Å; M142-L146 WeakPolarHBondContact O-CG 3.17Å; M142-L146 PolarHBondContact O-N 3.46Å; L146-V148 VanDerWaalsContact C-N 3.34Å; L146-L153 HydrophobicContact CD1-CD1 4.13Å; L146-L153 HydrophobicContact CD1-CD2 3.75Å |
| 147 | G | 84.8 | Confident | 88 | Confident | 28 Ų | 28 | 30.9 Ų | 30.9 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 27.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V143 T144 | V143-G147 WeakPolarHBondContact O-CA 3.44Å; V143-G147 PolarHBondContact O-N 3.47Å; T144-G147 PolarHBondContact O-N 3.43Å |
| 148 | V | 85.7 | Confident | 88.4 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -137.9 | 139.9 | -176 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | V143 L146 V152 L153 I157 C1282 C1285 | V143-V148 WeakPolarHBondContact CG1-O 3.3Å; V143-V148 PolarHBondContact O-N 2.69Å; L146-V148 VanDerWaalsContact C-N 3.34Å; V148-V152 HydrophobicContact CG1-CB 3.44Å; V148-V152 VanDerWaalsContact CG1-CB 3.44Å; V148-V152 HydrophobicContact CG1-CG1 3.33Å; V148-V152 HydrophobicContact CG1-CG2 4.37Å; V148-L153 HydrophobicContact CB-CG 4.42Å; V148-L153 HydrophobicContact CG1-CG 4.17Å; V148-I157 HydrophobicContact CG1-CD1 3.97Å; V148-C1282 HydrophobicContact CG2-CB 4.4Å; V148-C1285 HydrophobicContact CG2-CB 3.39Å |
| 149 | S | 87.4 | Confident | 88.5 | Confident | 39 Ų | 39 | 27.6 Ų | 27.6 | 27% | 0.273 | 15% | 0.153 | S | C | . | . | trans | -64.2 | 151.9 | -179.6 | 77.2 | 0 | 0 | 0 | 0 | 112.2 | A151 V152 L153 | S149-A151 PolarHBondContact O-N 3.44Å; S149-V152 PolarHBondContact O-N 2.74Å; S149-V152 VanDerWaalsContact O-N 3.11Å; S149-V152 VanDerWaalsContact OG-CG2 3.24Å; S149-V152 WeakPolarHBondContact OG-CG2 3.44Å; S149-V152 PolarHBondContact OG-N 2.87Å; S149-L153 PolarHBondContact O-N 2.62Å | ||
| 150 | K | 88.2 | Confident | 88.4 | Confident | 66 Ų | 66 | 27 Ų | 27 | 29% | 0.287 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -53.8 | -41.3 | 175.6 | -178 | 172.3 | 174.1 | 164.9 | 0 | 111.9 | T52 E54 D139 V143 V152 L153 E154 | T52-K150 HydrophobicContact CG2-CG 4.25Å; T52-K150 WeakPolarHBondContact O-CE 3.16Å; T52-K150 PolarHBondContact O-NZ 2.9Å; T52-K150 VanDerWaalsContact O-NZ 3.13Å; E54-K150 WeakPolarHBondContact OE1-CE 3.25Å; E54-K150 IonicContact OE1-NZ 3.26Å; E54-K150 PolarHBondContact OE1-NZ 3.21Å; D139-K150 IonicContact OD2-NZ 3.85Å; V143-K150 HydrophobicContact CG2-CB 3.99Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.22Å; K150-L153 PolarHBondContact O-N 3.48Å; K150-E154 WeakPolarHBondContact O-CB 3.33Å; K150-E154 PolarHBondContact O-N 3.28Å |
| 151 | A | 88.7 | Confident | 88.2 | Confident | 15 Ų | 15 | 24.1 Ų | 24.1 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | S149 N155 D180 L181 | S149-A151 PolarHBondContact O-N 3.44Å; A151-N155 VanDerWaalsContact O-CB 3.31Å; A151-N155 WeakPolarHBondContact O-CB 3.2Å; A151-N155 PolarHBondContact O-N 3.31Å; A151-N155 PolarHBondContact O-ND2 3.45Å; A151-D180 HydrophobicContact CB-CB 3.91Å; A151-L181 HydrophobicContact CB-CD2 4.39Å |
| 152 | V | 89 | Confident | 88 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.3 | -40.9 | 176 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | V148 S149 K150 E154 V156 I157 L181 F1281 C1282 | V148-V152 HydrophobicContact CG1-CB 3.44Å; V148-V152 VanDerWaalsContact CG1-CB 3.44Å; V148-V152 HydrophobicContact CG1-CG1 3.33Å; V148-V152 HydrophobicContact CG1-CG2 4.37Å; S149-V152 PolarHBondContact O-N 2.74Å; S149-V152 VanDerWaalsContact O-N 3.11Å; S149-V152 VanDerWaalsContact OG-CG2 3.24Å; S149-V152 WeakPolarHBondContact OG-CG2 3.44Å; S149-V152 PolarHBondContact OG-N 2.87Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.22Å; V152-E154 VanDerWaalsContact C-N 3.27Å; V152-E154 PolarHBondContact O-N 2.68Å; V152-V156 HydrophobicContact CG1-CB 4.16Å; V152-V156 HydrophobicContact CG1-CG2 4.42Å; V152-V156 WeakPolarHBondContact O-CA 3.14Å; V152-V156 VanDerWaalsContact O-CB 3.3Å; V152-V156 WeakPolarHBondContact O-CB 3.44Å; V152-V156 PolarHBondContact O-N 3.13Å; V152-I157 HydrophobicContact CG1-CD1 4.22Å; V152-I157 HydrophobicContact CG1-CG1 4.29Å; V152-I157 PolarHBondContact O-N 2.92Å; V152-L181 HydrophobicContact CB-CD2 4.15Å; V152-L181 HydrophobicContact CG2-CD2 3.51Å; V152-F1281 HydrophobicContact CG1-CB 4.32Å; V152-F1281 HydrophobicContact CG2-CB 3.85Å; V152-F1281 HydrophobicContact CG2-CG 4.26Å; V152-C1282 WeakPolarHBondContact CG1-SG 3.41Å |
| 153 | L | 90 | Very high | 87.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -58.4 | -41 | 174 | -72.2 | 165.5 | 0 | 0 | 0 | 111.8 | A51 T52 V143 L146 V148 S149 K150 I157 F158 | A51-L153 HydrophobicContact CB-CD1 4.4Å; A51-L153 HydrophobicContact CB-CD2 4.39Å; T52-L153 HydrophobicContact CG2-CB 3.56Å; T52-L153 HydrophobicContact CG2-CD1 4.28Å; V143-L153 HydrophobicContact CG2-CD1 4.28Å; L146-L153 HydrophobicContact CD1-CD1 4.13Å; L146-L153 HydrophobicContact CD1-CD2 3.75Å; V148-L153 HydrophobicContact CB-CG 4.42Å; V148-L153 HydrophobicContact CG1-CG 4.17Å; S149-L153 PolarHBondContact O-N 2.62Å; K150-L153 PolarHBondContact O-N 3.48Å; L153-I157 HydrophobicContact CD2-CD1 3.81Å; L153-F158 HydrophobicContact CD2-CD2 4.4Å; L153-F158 HydrophobicContact CD2-CE2 4Å; L153-F158 WeakPolarHBondContact O-CB 3.5Å; L153-F158 PolarHBondContact O-N 3.16Å |
| 154 | E | 89.5 | Confident | 87.6 | Confident | 50 Ų | 50 | 29 Ų | 29 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -80.2 | -48.1 | -177.2 | 164.1 | 160.3 | -134.6 | 0 | 0 | 114.3 | K48 K150 V152 C159 | K48-E154 WeakPolarHBondContact CE-OE1 3.5Å; K48-E154 IonicContact NZ-OE1 3.95Å; K48-E154 PolarHBondContact NZ-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CB 3.33Å; K150-E154 PolarHBondContact O-N 3.28Å; V152-E154 VanDerWaalsContact C-N 3.27Å; V152-E154 PolarHBondContact O-N 2.68Å; E154-C159 WeakPolarHBondContact O-CA 3.18Å |
| 155 | N | 88.3 | Confident | 87.5 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -94.8 | -15.7 | -170.6 | -64.3 | -69.2 | 0 | 0 | 0 | 113.8 | A151 W166 R177 | A151-N155 VanDerWaalsContact O-CB 3.31Å; A151-N155 WeakPolarHBondContact O-CB 3.2Å; A151-N155 PolarHBondContact O-N 3.31Å; A151-N155 PolarHBondContact O-ND2 3.45Å; N155-W166 HydrophobicContact CB-CZ2 4.39Å; N155-W166 PolarHBondContact O-NE1 3.35Å; N155-R177 WeakPolarHBondContact OD1-CD 3.42Å; N155-R177 PolarHBondContact OD1-NH1 2.92Å |
| 156 | V | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -119 | -59.9 | -174.1 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | V152 L181 R1274 L1277 A1278 L1288 | V152-V156 HydrophobicContact CG1-CB 4.16Å; V152-V156 HydrophobicContact CG1-CG2 4.42Å; V152-V156 WeakPolarHBondContact O-CA 3.14Å; V152-V156 VanDerWaalsContact O-CB 3.3Å; V152-V156 WeakPolarHBondContact O-CB 3.44Å; V152-V156 PolarHBondContact O-N 3.13Å; V156-L181 HydrophobicContact CG2-CD1 4.38Å; V156-L181 HydrophobicContact CG2-CD2 3.7Å; V156-R1274 VanDerWaalsContact CG1-O 3.3Å; V156-R1274 WeakPolarHBondContact CG1-O 3.21Å; V156-R1274 PolarHBondContact O-NE 2.82Å; V156-R1274 PolarHBondContact O-NH2 2.89Å; V156-L1277 HydrophobicContact CG1-CB 3.82Å; V156-L1277 HydrophobicContact CG2-CB 3.83Å; V156-L1277 HydrophobicContact CG2-CD1 3.94Å; V156-L1277 HydrophobicContact CG2-CG 4.49Å; V156-A1278 HydrophobicContact CG1-CB 3.87Å; V156-L1288 WeakPolarHBondContact O-CD1 3.18Å |
| 157 | I | 90.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -72.7 | -61.8 | -172.7 | -60.6 | 175.6 | 0 | 0 | 0 | 111.1 | V148 V152 L153 V1287 A1289 | V148-I157 HydrophobicContact CG1-CD1 3.97Å; V152-I157 HydrophobicContact CG1-CD1 4.22Å; V152-I157 HydrophobicContact CG1-CG1 4.29Å; V152-I157 PolarHBondContact O-N 2.92Å; L153-I157 HydrophobicContact CD2-CD1 3.81Å; I157-V1287 HydrophobicContact CG2-CB 4.39Å; I157-V1287 HydrophobicContact CG2-CG1 4.16Å; I157-V1287 WeakPolarHBondContact CG2-O 3.22Å; I157-A1289 WeakPolarHBondContact O-CB 3.42Å; I157-A1289 PolarHBondContact O-N 3.4Å |
| 158 | F | 91.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 46.7 | -178.2 | -52.4 | -57.8 | 0 | 0 | 0 | 111.7 | I4 I44 L47 K48 A51 L153 H160 V1287 A1289 | I4-F158 HydrophobicContact CD1-CE1 4.17Å; I4-F158 HydrophobicContact CD1-CZ 3.69Å; I44-F158 HydrophobicContact CG2-CB 4.21Å; L47-F158 HydrophobicContact CB-CD1 3.73Å; L47-F158 HydrophobicContact CB-CE1 3.64Å; L47-F158 HydrophobicContact CB-CE2 4.5Å; L47-F158 HydrophobicContact CB-CG 4.23Å; L47-F158 HydrophobicContact CB-CZ 4.03Å; L47-F158 HydrophobicContact CD1-CD1 4.26Å; L47-F158 HydrophobicContact CD1-CE1 3.87Å; L47-F158 HydrophobicContact CG-CE1 4.24Å; K48-F158 HydrophobicContact CB-CB 3.73Å; K48-F158 HydrophobicContact CB-CG 4.47Å; K48-F158 HydrophobicContact CG-CB 4.15Å; A51-F158 HydrophobicContact CB-CD2 4.14Å; A51-F158 HydrophobicContact CB-CE2 3.73Å; L153-F158 HydrophobicContact CD2-CD2 4.4Å; L153-F158 HydrophobicContact CD2-CE2 4Å; L153-F158 WeakPolarHBondContact O-CB 3.5Å; L153-F158 PolarHBondContact O-N 3.16Å; F158-H160 PolarHBondContact O-N 3.23Å; F158-V1287 HydrophobicContact CE1-CG1 4.44Å; F158-A1289 HydrophobicContact CD1-CB 4.06Å |
| 159 | C | 89.5 | Confident | 88 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | trans | -66.3 | 130.6 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | E154 | E154-C159 WeakPolarHBondContact O-CA 3.18Š| ||
| 160 | H | 86.7 | Confident | 87.9 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 6% | 0.06 | 16% | 0.157 | C | C | . | . | trans | -68.2 | 149.9 | 177.5 | -169.9 | -95.2 | 0 | 0 | 0 | 111.6 | E45 P57 F158 E162 D163 S164 | E45-H160 IonicContact OE1-CD2 2.68Å; E45-H160 IonicContact OE1-NE2 2.89Å; E45-H160 PolarHBondContact OE1-NE2 3.22Å; E45-H160 VanDerWaalsContact OE1-NE2 3.13Å; P57-H160 HydrophobicContact CG-CB 4.18Å; P57-H160 VanDerWaalsContact CG-ND1 3.27Å; P57-H160 WeakPolarHBondContact CG-ND1 3.44Å; F158-H160 PolarHBondContact O-N 3.23Å; H160-E162 VanDerWaalsContact C-N 3.32Å; H160-E162 PolarHBondContact ND1-N 3.49Å; H160-E162 PolarHBondContact O-N 3.11Å; H160-D163 HydrophobicContact CB-CB 4.36Å; H160-D163 CarbonylContact O-C 3.59Å; H160-D163 PolarHBondContact O-N 3.29Å; H160-S164 PolarHBondContact O-N 3.44Å | ||
| 161 | Q | 83 | Confident | 87.5 | Confident | 73 Ų | 73 | 31.2 Ų | 31.2 | 34% | 0.341 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -52.4 | -46.1 | 179.8 | -168.3 | -176.1 | 8.6 | 0 | 0 | 112.8 | D163 S164 | Q161-D163 VanDerWaalsContact C-N 3.3Å; Q161-D163 PolarHBondContact O-N 2.92Å; Q161-S164 VanDerWaalsContact O-CB 3.28Å; Q161-S164 WeakPolarHBondContact O-CB 3.45Å; Q161-S164 PolarHBondContact O-N 3.29Å; Q161-S164 PolarHBondContact O-OG 3.43Å |
| 162 | E | 82.5 | Confident | 87.2 | Confident | 142 Ų | 142 | 39.1 Ų | 39.1 | 66% | 0.664 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -66.7 | -28.4 | 178.9 | -63.8 | -175.9 | 167.7 | 0 | 0 | 113.8 | H160 | H160-E162 VanDerWaalsContact C-N 3.32Å; H160-E162 PolarHBondContact ND1-N 3.49Å; H160-E162 PolarHBondContact O-N 3.11Å |
| 163 | D | 85.6 | Confident | 86.9 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -94.1 | -4.1 | 180 | -82.7 | -53.2 | 0 | 0 | 0 | 112.8 | H160 Q161 N165 W166 R177 | H160-D163 HydrophobicContact CB-CB 4.36Å; H160-D163 CarbonylContact O-C 3.59Å; H160-D163 PolarHBondContact O-N 3.29Å; Q161-D163 VanDerWaalsContact C-N 3.3Å; Q161-D163 PolarHBondContact O-N 2.92Å; D163-N165 PolarHBondContact O-N 3.4Å; D163-W166 VanDerWaalsContact O-CB 3.3Å; D163-W166 WeakPolarHBondContact O-CB 3.47Å; D163-W166 VanDerWaalsContact O-CD1 3.23Å; D163-W166 PolarHBondContact O-N 2.92Å; D163-R177 IonicContact OD1-CZ 3.78Å; D163-R177 IonicContact OD1-NH1 3.47Å; D163-R177 IonicContact OD1-NH2 3.04Å; D163-R177 PolarHBondContact OD1-NH2 3.16Å |
| 164 | S | 84.5 | Confident | 86.8 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33 | -175 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | H160 Q161 W166 S1270 | H160-S164 PolarHBondContact O-N 3.44Å; Q161-S164 VanDerWaalsContact O-CB 3.28Å; Q161-S164 WeakPolarHBondContact O-CB 3.45Å; Q161-S164 PolarHBondContact O-N 3.29Å; Q161-S164 PolarHBondContact O-OG 3.43Å; S164-W166 VanDerWaalsContact C-N 3.32Å; S164-W166 PolarHBondContact O-N 3.21Å; S164-S1270 VanDerWaalsContact O-CB 3.24Å; S164-S1270 WeakPolarHBondContact O-CB 3.4Å |
| 165 | N | 86.7 | Confident | 86.4 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 16.9 | -178.3 | -64.1 | -50.4 | 0 | 0 | 0 | 114.5 | D163 P167 L168 K1266 S1270 | D163-N165 PolarHBondContact O-N 3.4Å; N165-P167 VanDerWaalsContact C-N 3.32Å; N165-L168 PolarHBondContact O-N 3.39Å; N165-L168 VanDerWaalsContact O-N 3.17Å; N165-K1266 HydrophobicContact CB-CD 4.47Å; N165-K1266 HydrophobicContact CB-CG 4.31Å; N165-K1266 PolarHBondContact OD1-O 3.47Å; N165-S1270 WeakPolarHBondContact CA-OG 3.34Å; N165-S1270 PolarHBondContact OD1-OG 3.15Å |
| 166 | W | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -56 | -32.4 | -177.5 | 75.9 | -97.9 | 0 | 0 | 0 | 115.7 | N155 D163 S164 L168 Q169 V174 R177 F178 L181 L1277 | N155-W166 HydrophobicContact CB-CZ2 4.39Å; N155-W166 PolarHBondContact O-NE1 3.35Å; D163-W166 VanDerWaalsContact O-CB 3.3Å; D163-W166 WeakPolarHBondContact O-CB 3.47Å; D163-W166 VanDerWaalsContact O-CD1 3.23Å; D163-W166 PolarHBondContact O-N 2.92Å; S164-W166 VanDerWaalsContact C-N 3.32Å; S164-W166 PolarHBondContact O-N 3.21Å; W166-L168 PolarHBondContact O-N 2.97Å; W166-Q169 VanDerWaalsContact O-CB 3.31Å; W166-Q169 WeakPolarHBondContact O-CB 3.26Å; W166-Q169 PolarHBondContact O-N 3.19Å; W166-V174 WeakPolarHBondContact O-CG2 3.35Å; W166-R177 VanDerWaalsContact CB-CZ 3.41Å; W166-R177 HydrophobicContact CD2-CB 4.43Å; W166-R177 VanDerWaalsContact CD2-CD 3.47Å; W166-R177 HydrophobicContact CE3-CB 3.77Å; W166-R177 VanDerWaalsContact CE3-CD 3.4Å; W166-R177 HydrophobicContact CE3-CG 4.2Å; W166-R177 HydrophobicContact CH2-CB 4.14Å; W166-R177 HydrophobicContact CZ3-CB 3.6Å; W166-F178 HydrophobicContact CH2-CD2 4.31Å; W166-F178 HydrophobicContact CH2-CE1 4.34Å; W166-F178 AromaticContact CH2-CE2 3.97Å; W166-F178 HydrophobicContact CH2-CE2 3.97Å; W166-F178 AromaticContact CH2-CZ 3.95Å; W166-F178 HydrophobicContact CH2-CZ 3.95Å; W166-F178 AromaticContact CZ3-CD2 3.99Å; W166-F178 HydrophobicContact CZ3-CD2 3.99Å; W166-F178 AromaticContact CZ3-CE2 3.77Å; W166-F178 HydrophobicContact CZ3-CE2 3.77Å; W166-F178 HydrophobicContact CZ3-CZ 4.23Å; W166-L181 HydrophobicContact CH2-CD1 3.63Å; W166-L181 HydrophobicContact CZ2-CD1 3.85Å; W166-L1277 HydrophobicContact CH2-CD1 4.06Å; W166-L1277 HydrophobicContact CZ2-CD1 3.7Å |
| 167 | P | 89.8 | Confident | 86 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -62.1 | -19.2 | 179.8 | -25 | 36.8 | 0 | 0 | 0 | 113.9 | N165 V1226 I1273 | N165-P167 VanDerWaalsContact C-N 3.32Å; P167-V1226 WeakPolarHBondContact O-CG2 3.27Å; P167-I1273 HydrophobicContact CB-CD1 3.76Å; P167-I1273 HydrophobicContact CB-CG2 4.09Å; P167-I1273 HydrophobicContact CG-CB 4.31Å; P167-I1273 HydrophobicContact CG-CD1 4.41Å; P167-I1273 HydrophobicContact CG-CG2 3.89Å |
| 168 | L | 88.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -108.5 | 13.5 | 179.9 | -65 | 170.1 | 0 | 0 | 0 | 112.6 | N165 W166 V1226 M1257 K1266 A1269 | N165-L168 PolarHBondContact O-N 3.39Å; N165-L168 VanDerWaalsContact O-N 3.17Å; W166-L168 PolarHBondContact O-N 2.97Å; L168-V1226 HydrophobicContact CD2-CB 3.7Å; L168-V1226 HydrophobicContact CD2-CG1 4.17Å; L168-V1226 HydrophobicContact CD2-CG2 3.97Å; L168-M1257 HydrophobicContact CD2-CB 3.75Å; L168-K1266 HydrophobicContact CD1-CB 4.13Å; L168-K1266 HydrophobicContact CD1-CG 3.63Å; L168-A1269 HydrophobicContact CD1-CB 4.17Å |
| 169 | Q | 88.2 | Confident | 85.1 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.1 | -169.6 | 171.6 | -75.8 | 178.4 | 3.1 | 0 | 0 | 111.6 | W166 S173 V174 R1258 | W166-Q169 VanDerWaalsContact O-CB 3.31Å; W166-Q169 WeakPolarHBondContact O-CB 3.26Å; W166-Q169 PolarHBondContact O-N 3.19Å; Q169-S173 VanDerWaalsContact CB-OG 3.28Å; Q169-S173 WeakPolarHBondContact CB-OG 3.36Å; Q169-S173 PolarHBondContact OE1-OG 2.89Å; Q169-V174 HydrophobicContact CB-CG2 4.12Å; Q169-V174 WeakPolarHBondContact O-CG2 3.47Å; Q169-R1258 WeakPolarHBondContact O-CD 3.24Å |
| 170 | E | 85.2 | Confident | 84.8 | Confident | 124 Ų | 124 | 50.5 Ų | 50.5 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | trans | -67.5 | 143.6 | -179.6 | -30.4 | -153.5 | 111.2 | 0 | 0 | 112.7 | K172 S173 V174 R1258 | E170-K172 PolarHBondContact O-N 3.25Å; E170-S173 PolarHBondContact O-N 3.33Å; E170-S173 PolarHBondContact O-OG 3.45Å; E170-V174 WeakPolarHBondContact O-CG2 3.29Å; E170-V174 PolarHBondContact O-N 2.96Å; E170-R1258 VanDerWaalsContact CA-CZ 3.41Å; E170-R1258 IonicContact OE1-NH2 2.78Å; E170-R1258 PolarHBondContact OE1-NH2 3.08Å | ||
| 171 | A | 79.5 | Confident | 84.6 | Confident | 47 Ų | 47 | 50 Ų | 50 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -49.3 | -35.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K175 | A171-K175 WeakPolarHBondContact O-CB 3.36Å; A171-K175 PolarHBondContact O-N 3.04Å |
| 172 | K | 82.5 | Confident | 84.5 | Confident | 181 Ų | 181 | 46.9 Ų | 46.9 | 79% | 0.787 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.1 | -44.6 | 176.9 | -173.2 | 178 | 177.8 | -177 | 0 | 113.3 | E170 Q176 | E170-K172 PolarHBondContact O-N 3.25Å; K172-Q176 PolarHBondContact O-N 3.47Å; K172-Q176 VanDerWaalsContact O-N 3.15Å |
| 173 | S | 84.6 | Confident | 83.8 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.3 | -39.9 | 179.2 | 83.3 | 0 | 0 | 0 | 0 | 111 | Q169 E170 Q176 R177 | Q169-S173 VanDerWaalsContact CB-OG 3.28Å; Q169-S173 WeakPolarHBondContact CB-OG 3.36Å; Q169-S173 PolarHBondContact OE1-OG 2.89Å; E170-S173 PolarHBondContact O-N 3.33Å; E170-S173 PolarHBondContact O-OG 3.45Å; S173-Q176 PolarHBondContact O-N 2.9Å; S173-R177 WeakPolarHBondContact O-CG 3.38Å; S173-R177 PolarHBondContact O-N 3.01Å |
| 174 | V | 86 | Confident | 82.9 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | W166 Q169 E170 Q176 R177 F178 | W166-V174 WeakPolarHBondContact O-CG2 3.35Å; Q169-V174 HydrophobicContact CB-CG2 4.12Å; Q169-V174 WeakPolarHBondContact O-CG2 3.47Å; E170-V174 WeakPolarHBondContact O-CG2 3.29Å; E170-V174 PolarHBondContact O-N 2.96Å; V174-Q176 PolarHBondContact O-N 3.45Å; V174-R177 PolarHBondContact O-N 2.9Å; V174-F178 HydrophobicContact CG1-CD2 3.59Å; V174-F178 HydrophobicContact CG1-CE2 3.61Å; V174-F178 WeakPolarHBondContact O-CD2 3.26Å; V174-F178 PolarHBondContact O-N 3.34Å |
| 175 | K | 82.9 | Confident | 82.2 | Confident | 38 Ų | 38 | 42.7 Ų | 42.7 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.8 | -47.7 | 175.8 | 175.6 | -179.5 | -175.8 | 158.4 | 0 | 112.6 | A171 R177 F178 D179 T1221 Y1222 N1223 Y1224 | A171-K175 WeakPolarHBondContact O-CB 3.36Å; A171-K175 PolarHBondContact O-N 3.04Å; K175-R177 VanDerWaalsContact C-N 3.34Å; K175-R177 PolarHBondContact O-N 3.22Å; K175-F178 PolarHBondContact O-N 2.66Å; K175-D179 WeakPolarHBondContact O-CB 3.49Å; K175-D179 VanDerWaalsContact O-CG 3.24Å; K175-D179 PolarHBondContact O-N 3.38Å; K175-T1221 VanDerWaalsContact NZ-CB 3.35Å; K175-Y1222 WeakPolarHBondContact CD-O 3.47Å; K175-Y1222 WeakPolarHBondContact CE-O 3.27Å; K175-Y1222 PolarHBondContact NZ-O 2.97Å; K175-Y1222 VanDerWaalsContact NZ-O 3.11Å; K175-N1223 PolarHBondContact NZ-OD1 2.9Å; K175-Y1224 HydrophobicContact CB-CD2 4.08Å; K175-Y1224 HydrophobicContact CB-CE2 4.46Å; K175-Y1224 HydrophobicContact CG-CD2 4.27Å; K175-Y1224 HydrophobicContact CG-CE2 4.21Å |
| 176 | Q | 81.8 | Confident | 81.7 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 179 | -176.3 | 59.4 | 43.6 | 0 | 0 | 111.2 | K172 S173 V174 D179 D180 | K172-Q176 PolarHBondContact O-N 3.47Å; K172-Q176 VanDerWaalsContact O-N 3.15Å; S173-Q176 PolarHBondContact O-N 2.9Å; V174-Q176 PolarHBondContact O-N 3.45Å; Q176-D179 PolarHBondContact O-N 3Å; Q176-D180 VanDerWaalsContact NE2-CG 3.3Å; Q176-D180 PolarHBondContact NE2-OD1 3.33Å; Q176-D180 VanDerWaalsContact NE2-OD1 3.12Å; Q176-D180 PolarHBondContact NE2-OD2 3.11Å; Q176-D180 WeakPolarHBondContact O-CB 3.48Å; Q176-D180 PolarHBondContact O-N 2.59Å |
| 177 | R | 86.3 | Confident | 81.3 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.6 | -69.3 | -176.6 | -172.2 | -148.9 | 14.1 | 112.1 | N155 D163 W166 S173 V174 K175 D180 L181 | N155-R177 WeakPolarHBondContact OD1-CD 3.42Å; N155-R177 PolarHBondContact OD1-NH1 2.92Å; D163-R177 IonicContact OD1-CZ 3.78Å; D163-R177 IonicContact OD1-NH1 3.47Å; D163-R177 IonicContact OD1-NH2 3.04Å; D163-R177 PolarHBondContact OD1-NH2 3.16Å; W166-R177 VanDerWaalsContact CB-CZ 3.41Å; W166-R177 HydrophobicContact CD2-CB 4.43Å; W166-R177 VanDerWaalsContact CD2-CD 3.47Å; W166-R177 HydrophobicContact CE3-CB 3.77Å; W166-R177 VanDerWaalsContact CE3-CD 3.4Å; W166-R177 HydrophobicContact CE3-CG 4.2Å; W166-R177 HydrophobicContact CH2-CB 4.14Å; W166-R177 HydrophobicContact CZ3-CB 3.6Å; S173-R177 WeakPolarHBondContact O-CG 3.38Å; S173-R177 PolarHBondContact O-N 3.01Å; V174-R177 PolarHBondContact O-N 2.9Å; K175-R177 VanDerWaalsContact C-N 3.34Å; K175-R177 PolarHBondContact O-N 3.22Å; R177-D180 PolarHBondContact O-N 3.38Å; R177-L181 WeakPolarHBondContact O-CB 3.34Å; R177-L181 WeakPolarHBondContact O-CG 3.37Å; R177-L181 PolarHBondContact O-N 2.8Å |
| 178 | F | 85.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 174 | -86.1 | -69.2 | 0 | 0 | 0 | 112.1 | W166 V174 K175 D180 L181 F182 M1178 L1181 I1203 Y1224 L1277 | W166-F178 HydrophobicContact CH2-CD2 4.31Å; W166-F178 HydrophobicContact CH2-CE1 4.34Å; W166-F178 AromaticContact CH2-CE2 3.97Å; W166-F178 HydrophobicContact CH2-CE2 3.97Å; W166-F178 AromaticContact CH2-CZ 3.95Å; W166-F178 HydrophobicContact CH2-CZ 3.95Å; W166-F178 AromaticContact CZ3-CD2 3.99Å; W166-F178 HydrophobicContact CZ3-CD2 3.99Å; W166-F178 AromaticContact CZ3-CE2 3.77Å; W166-F178 HydrophobicContact CZ3-CE2 3.77Å; W166-F178 HydrophobicContact CZ3-CZ 4.23Å; V174-F178 HydrophobicContact CG1-CD2 3.59Å; V174-F178 HydrophobicContact CG1-CE2 3.61Å; V174-F178 WeakPolarHBondContact O-CD2 3.26Å; V174-F178 PolarHBondContact O-N 3.34Å; K175-F178 PolarHBondContact O-N 2.66Å; F178-D180 PolarHBondContact O-N 3Å; F178-L181 HydrophobicContact CD1-CD1 4.45Å; F178-L181 WeakPolarHBondContact O-CB 3.19Å; F178-L181 PolarHBondContact O-N 3.06Å; F178-L181 VanDerWaalsContact O-N 3.09Å; F178-F182 HydrophobicContact CB-CD2 4.35Å; F178-F182 HydrophobicContact CB-CE2 4.22Å; F178-F182 AromaticContact CD1-CE2 3.8Å; F178-F182 HydrophobicContact CD1-CE2 3.8Å; F178-F182 HydrophobicContact CG-CE2 4.44Å; F178-F182 WeakPolarHBondContact O-CD2 3.23Å; F178-F182 PolarHBondContact O-N 3.14Å; F178-M1178 HydrophobicContact CE1-CE 4.43Å; F178-L1181 HydrophobicContact CE1-CD2 4.32Å; F178-I1203 HydrophobicContact CE1-CD1 4.15Å; F178-I1203 HydrophobicContact CE2-CD1 4.46Å; F178-I1203 HydrophobicContact CE2-CG2 4.43Å; F178-I1203 HydrophobicContact CZ-CD1 3.54Å; F178-I1203 HydrophobicContact CZ-CG2 4.21Å; F178-Y1224 HydrophobicContact CB-CD1 4.2Å; F178-Y1224 HydrophobicContact CB-CD2 3.99Å; F178-Y1224 HydrophobicContact CB-CE1 3.92Å; F178-Y1224 HydrophobicContact CB-CE2 3.69Å; F178-Y1224 HydrophobicContact CB-CG 4.22Å; F178-Y1224 HydrophobicContact CD1-CE1 4.46Å; F178-Y1224 HydrophobicContact CD2-CD1 4.02Å; F178-Y1224 HydrophobicContact CD2-CD2 4.27Å; F178-Y1224 AromaticContact CD2-CG 3.85Å; F178-Y1224 HydrophobicContact CD2-CG 3.85Å; F178-Y1224 AromaticContact CG-CD1 3.99Å; F178-Y1224 HydrophobicContact CG-CD1 3.99Å; F178-Y1224 HydrophobicContact CG-CD2 4.41Å; F178-Y1224 HydrophobicContact CG-CE1 4.08Å; F178-Y1224 HydrophobicContact CG-CE2 4.47Å; F178-Y1224 HydrophobicContact CG-CG 4.15Å; F178-L1277 HydrophobicContact CE1-CD2 4.14Å |
| 179 | D | 79.1 | Confident | 80.5 | Confident | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59 | -36.9 | 178.4 | -73.1 | -6.8 | 0 | 0 | 0 | 111.6 | K175 Q176 A183 Y1224 | K175-D179 WeakPolarHBondContact O-CB 3.49Å; K175-D179 VanDerWaalsContact O-CG 3.24Å; K175-D179 PolarHBondContact O-N 3.38Å; Q176-D179 PolarHBondContact O-N 3Å; D179-A183 PolarHBondContact O-N 3.05Å; D179-Y1224 PolarHBondContact OD1-OH 2.83Å |
| 180 | D | 81.3 | Confident | 80.4 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.7 | -38.3 | 174.7 | -69.3 | -28.6 | 0 | 0 | 0 | 112.6 | A151 Q176 R177 F178 A183 | A151-D180 HydrophobicContact CB-CB 3.91Å; Q176-D180 VanDerWaalsContact NE2-CG 3.3Å; Q176-D180 PolarHBondContact NE2-OD1 3.33Å; Q176-D180 VanDerWaalsContact NE2-OD1 3.12Å; Q176-D180 PolarHBondContact NE2-OD2 3.11Å; Q176-D180 WeakPolarHBondContact O-CB 3.48Å; Q176-D180 PolarHBondContact O-N 2.59Å; R177-D180 PolarHBondContact O-N 3.38Å; F178-D180 PolarHBondContact O-N 3Å; D180-A183 PolarHBondContact O-N 3.19Å |
| 181 | L | 84.4 | Confident | 80.4 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 176.2 | -74.5 | 168.4 | 0 | 0 | 0 | 112.4 | A151 V152 V156 W166 R177 F178 A183 L1277 | A151-L181 HydrophobicContact CB-CD2 4.39Å; V152-L181 HydrophobicContact CB-CD2 4.15Å; V152-L181 HydrophobicContact CG2-CD2 3.51Å; V156-L181 HydrophobicContact CG2-CD1 4.38Å; V156-L181 HydrophobicContact CG2-CD2 3.7Å; W166-L181 HydrophobicContact CH2-CD1 3.63Å; W166-L181 HydrophobicContact CZ2-CD1 3.85Å; R177-L181 WeakPolarHBondContact O-CB 3.34Å; R177-L181 WeakPolarHBondContact O-CG 3.37Å; R177-L181 PolarHBondContact O-N 2.8Å; F178-L181 HydrophobicContact CD1-CD1 4.45Å; F178-L181 WeakPolarHBondContact O-CB 3.19Å; F178-L181 PolarHBondContact O-N 3.06Å; F178-L181 VanDerWaalsContact O-N 3.09Å; L181-A183 PolarHBondContact O-N 3.45Å; L181-A183 VanDerWaalsContact O-N 3.14Å; L181-L1277 HydrophobicContact CD1-CD1 4.02Å; L181-L1277 HydrophobicContact CD1-CD2 4.24Å |
| 182 | F | 79.8 | Confident | 80.7 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -10.7 | 175.7 | -75.7 | -68.7 | 0 | 0 | 0 | 113.1 | F178 S184 Y1173 H1174 K1177 M1178 Y1224 F1281 | F178-F182 HydrophobicContact CB-CD2 4.35Å; F178-F182 HydrophobicContact CB-CE2 4.22Å; F178-F182 AromaticContact CD1-CE2 3.8Å; F178-F182 HydrophobicContact CD1-CE2 3.8Å; F178-F182 HydrophobicContact CG-CE2 4.44Å; F178-F182 WeakPolarHBondContact O-CD2 3.23Å; F178-F182 PolarHBondContact O-N 3.14Å; F182-S184 PolarHBondContact O-N 3.33Å; F182-Y1173 HydrophobicContact CD1-CE1 4.18Å; F182-H1174 AromaticContact CD2-CD2 3.79Å; F182-H1174 AromaticContact CE2-CD2 3.74Å; F182-H1174 AromaticContact CE2-NE2 3.66Å; F182-H1174 AromaticContact CZ-CD2 3.91Å; F182-K1177 HydrophobicContact CD1-CB 4.49Å; F182-K1177 HydrophobicContact CE1-CB 3.71Å; F182-M1178 HydrophobicContact CE2-CE 4.17Å; F182-M1178 HydrophobicContact CE2-SD 4.14Å; F182-M1178 HydrophobicContact CZ-CE 3.5Å; F182-M1178 VanDerWaalsContact CZ-CE 3.5Å; F182-M1178 HydrophobicContact CZ-CG 4.06Å; F182-M1178 HydrophobicContact CZ-SD 3.77Å; F182-Y1224 HydrophobicContact CE2-CE1 4.17Å; F182-F1281 HydrophobicContact CD1-CE1 4.03Å; F182-F1281 AromaticContact CD1-CZ 3.64Å; F182-F1281 HydrophobicContact CD1-CZ 3.64Å; F182-F1281 HydrophobicContact CE1-CE1 4.3Å; F182-F1281 AromaticContact CE1-CZ 3.56Å; F182-F1281 HydrophobicContact CE1-CZ 3.56Å; F182-F1281 HydrophobicContact CG-CZ 4.25Å; F182-F1281 HydrophobicContact CZ-CZ 4.1Å |
| 183 | A | 68.7 | Low | 81 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 22 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D179 D180 L181 S185 | D179-A183 PolarHBondContact O-N 3.05Å; D180-A183 PolarHBondContact O-N 3.19Å; L181-A183 PolarHBondContact O-N 3.45Å; L181-A183 VanDerWaalsContact O-N 3.14Å; A183-S185 PolarHBondContact O-N 2.76Å |
| 184 | S | 66.9 | Low | 81.3 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.7 | -177 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | F182 R186 Y187 V188 | F182-S184 PolarHBondContact O-N 3.33Å; S184-R186 PolarHBondContact O-N 3.45Å; S184-R186 VanDerWaalsContact O-N 3.13Å; S184-Y187 CarbonylContact O-C 3.58Å; S184-Y187 PolarHBondContact O-N 2.75Å; S184-V188 VanDerWaalsContact O-CG2 3.31Å; S184-V188 WeakPolarHBondContact O-CG2 3.5Å; S184-V188 PolarHBondContact O-N 3.3Å |
| 185 | S | 68.7 | Low | 81.3 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.6 | -35.6 | -179.9 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | A183 K189 | A183-S185 PolarHBondContact O-N 2.76Å; S185-K189 WeakPolarHBondContact O-CB 3.4Å; S185-K189 VanDerWaalsContact O-CG 3.28Å; S185-K189 WeakPolarHBondContact O-CG 3.39Å; S185-K189 PolarHBondContact O-N 3.07Å |
| 186 | R | 76.1 | Confident | 81.7 | Confident | 207 Ų | 207 | 59.9 Ų | 59.9 | 78% | 0.781 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.5 | -47 | 174.4 | -69.7 | -174.9 | 178.2 | -170.9 | -0.4 | 111.8 | S184 K189 A190 | S184-R186 PolarHBondContact O-N 3.45Å; S184-R186 VanDerWaalsContact O-N 3.13Å; R186-K189 PolarHBondContact O-N 3.22Å; R186-A190 PolarHBondContact O-N 3.4Å |
| 187 | Y | 81.9 | Confident | 82.1 | Confident | 140 Ų | 140 | 57.5 Ų | 57.5 | 55% | 0.549 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.9 | -33 | 179.6 | -62.5 | -70.3 | 0 | 0 | 0 | 112.3 | S184 A190 L191 L1166 | S184-Y187 CarbonylContact O-C 3.58Å; S184-Y187 PolarHBondContact O-N 2.75Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 2.98Å; Y187-L191 WeakPolarHBondContact O-CG 3.28Å; Y187-L191 PolarHBondContact O-N 3.37Å; Y187-L1166 HydrophobicContact CD1-CD1 3.9Å; Y187-L1166 HydrophobicContact CG-CD1 4.41Å |
| 188 | V | 78.5 | Confident | 82.3 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 172 | 175 | 0 | 0 | 0 | 0 | 110.8 | S184 A190 L191 D192 I1170 | S184-V188 VanDerWaalsContact O-CG2 3.31Å; S184-V188 WeakPolarHBondContact O-CG2 3.5Å; S184-V188 PolarHBondContact O-N 3.3Å; V188-A190 VanDerWaalsContact C-N 3.32Å; V188-A190 PolarHBondContact O-N 3.46Å; V188-L191 WeakPolarHBondContact O-CB 3.32Å; V188-L191 PolarHBondContact O-N 3.29Å; V188-D192 PolarHBondContact O-N 3.12Å; V188-I1170 HydrophobicContact CG2-CD1 4.49Å |
| 189 | K | 82.8 | Confident | 82.4 | Confident | 152 Ų | 152 | 61.2 Ų | 61.2 | 66% | 0.661 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 171.4 | -76 | 176.5 | -177.4 | -176.9 | 0 | 112.2 | S185 R186 D192 A193 | S185-K189 WeakPolarHBondContact O-CB 3.4Å; S185-K189 VanDerWaalsContact O-CG 3.28Å; S185-K189 WeakPolarHBondContact O-CG 3.39Å; S185-K189 PolarHBondContact O-N 3.07Å; R186-K189 PolarHBondContact O-N 3.22Å; K189-D192 PolarHBondContact O-N 3.24Å; K189-A193 WeakPolarHBondContact O-CB 3.45Å; K189-A193 PolarHBondContact O-N 3.42Å |
| 190 | A | 86.4 | Confident | 82.9 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | R186 Y187 V188 A193 I194 L1166 | R186-A190 PolarHBondContact O-N 3.4Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 2.98Å; V188-A190 VanDerWaalsContact C-N 3.32Å; V188-A190 PolarHBondContact O-N 3.46Å; A190-A193 PolarHBondContact O-N 2.99Å; A190-I194 VanDerWaalsContact O-CG1 3.3Å; A190-I194 WeakPolarHBondContact O-CG1 3.43Å; A190-I194 PolarHBondContact O-N 3.25Å; A190-L1166 HydrophobicContact CB-CD2 4.11Å |
| 191 | L | 85.7 | Confident | 83.3 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 171.6 | -74.8 | 176.7 | 0 | 0 | 0 | 111.8 | Y187 V188 A193 I194 R195 Y1163 L1166 D1167 I1170 | Y187-L191 WeakPolarHBondContact O-CG 3.28Å; Y187-L191 PolarHBondContact O-N 3.37Å; V188-L191 WeakPolarHBondContact O-CB 3.32Å; V188-L191 PolarHBondContact O-N 3.29Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 3.4Å; L191-I194 PolarHBondContact O-N 3.14Å; L191-R195 WeakPolarHBondContact O-CB 3.12Å; L191-R195 PolarHBondContact O-N 3.47Å; L191-Y1163 HydrophobicContact CB-CD2 4.24Å; L191-Y1163 HydrophobicContact CB-CE2 3.72Å; L191-Y1163 HydrophobicContact CD2-CD1 4.11Å; L191-Y1163 HydrophobicContact CD2-CD2 3.68Å; L191-Y1163 HydrophobicContact CD2-CE1 4.18Å; L191-Y1163 HydrophobicContact CD2-CE2 3.82Å; L191-Y1163 HydrophobicContact CD2-CG 3.83Å; L191-Y1163 WeakPolarHBondContact CD2-O 3.29Å; L191-Y1163 HydrophobicContact CG-CE2 4.31Å; L191-Y1163 WeakPolarHBondContact O-CD2 3.21Å; L191-Y1163 VanDerWaalsContact O-CE2 3.27Å; L191-Y1163 WeakPolarHBondContact O-CE2 3.3Å; L191-L1166 HydrophobicContact CD2-CB 3.83Å; L191-L1166 HydrophobicContact CD2-CD2 3.82Å; L191-L1166 HydrophobicContact CD2-CG 3.88Å; L191-L1166 HydrophobicContact CG-CD2 3.86Å; L191-L1166 HydrophobicContact CG-CG 4.06Å; L191-D1167 HydrophobicContact CD1-CB 4.28Å; L191-D1167 HydrophobicContact CD2-CB 4.4Å; L191-I1170 HydrophobicContact CD1-CD1 3.6Å; L191-I1170 HydrophobicContact CG-CD1 4.33Å |
| 192 | D | 85.5 | Confident | 83.5 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 177 | -76.7 | -27.3 | 0 | 0 | 0 | 111.7 | V188 K189 R195 K196 R1219 | V188-D192 PolarHBondContact O-N 3.12Å; K189-D192 PolarHBondContact O-N 3.24Å; D192-R195 PolarHBondContact O-N 2.77Å; D192-K196 WeakPolarHBondContact O-CB 3.5Å; D192-K196 PolarHBondContact O-N 3.19Å; D192-R1219 IonicContact OD2-NH1 3.47Å |
| 193 | A | 89 | Confident | 84 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K189 A190 L191 R195 K196 C197 | K189-A193 WeakPolarHBondContact O-CB 3.45Å; K189-A193 PolarHBondContact O-N 3.42Å; A190-A193 PolarHBondContact O-N 2.99Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 3.4Å; A193-R195 VanDerWaalsContact C-N 3.32Å; A193-R195 PolarHBondContact O-N 3.42Å; A193-K196 PolarHBondContact O-N 3.38Å; A193-C197 WeakPolarHBondContact O-CB 3.48Å; A193-C197 PolarHBondContact O-N 3.23Å |
| 194 | I | 90.5 | Very high | 85 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 175.2 | -68.2 | 167 | 0 | 0 | 0 | 110.2 | A190 L191 C197 K198 L1159 Y1163 L1166 | A190-I194 VanDerWaalsContact O-CG1 3.3Å; A190-I194 WeakPolarHBondContact O-CG1 3.43Å; A190-I194 PolarHBondContact O-N 3.25Å; L191-I194 PolarHBondContact O-N 3.14Å; I194-C197 PolarHBondContact O-N 3.34Å; I194-K198 WeakPolarHBondContact O-CB 3.11Å; I194-K198 PolarHBondContact O-N 3.48Å; I194-L1159 HydrophobicContact CG2-CB 4.15Å; I194-L1159 HydrophobicContact CG2-CD2 4.05Å; I194-L1159 VanDerWaalsContact CG2-O 3.23Å; I194-L1159 WeakPolarHBondContact CG2-O 3.45Å; I194-Y1163 HydrophobicContact CB-CD2 4.42Å; I194-Y1163 HydrophobicContact CG2-CD2 4.22Å; I194-L1166 HydrophobicContact CD1-CD2 4.47Å |
| 195 | R | 86.6 | Confident | 86.2 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.4 | 173.5 | 174.7 | 164.6 | -137.3 | -6.5 | 112 | L191 D192 A193 K198 Q199 Y1163 C1216 R1217 | L191-R195 WeakPolarHBondContact O-CB 3.12Å; L191-R195 PolarHBondContact O-N 3.47Å; D192-R195 PolarHBondContact O-N 2.77Å; A193-R195 VanDerWaalsContact C-N 3.32Å; A193-R195 PolarHBondContact O-N 3.42Å; R195-K198 PolarHBondContact O-N 3.35Å; R195-Q199 WeakPolarHBondContact O-CG 3.48Å; R195-Q199 PolarHBondContact O-N 3.3Å; R195-Y1163 HydrophobicContact CB-CD2 4.22Å; R195-Y1163 HydrophobicContact CB-CE2 3.88Å; R195-C1216 WeakPolarHBondContact CG-O 3.39Å; R195-R1217 PolarHBondContact NE-O 3.48Å; R195-R1217 PolarHBondContact NH2-O 3.15Å |
| 196 | K | 89.9 | Confident | 87.3 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 177.8 | -171.4 | 178.1 | 179.7 | -179 | 0 | 111.3 | D192 A193 K198 Q199 D200 | D192-K196 WeakPolarHBondContact O-CB 3.5Å; D192-K196 PolarHBondContact O-N 3.19Å; A193-K196 PolarHBondContact O-N 3.38Å; K196-K198 VanDerWaalsContact C-N 3.3Å; K196-K198 PolarHBondContact O-N 2.99Å; K196-Q199 PolarHBondContact O-N 3.2Å; K196-Q199 VanDerWaalsContact O-N 3.14Å; K196-D200 PolarHBondContact O-N 3.36Å |
| 197 | C | 90.8 | Very high | 88 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | A193 I194 N201 L1159 | A193-C197 WeakPolarHBondContact O-CB 3.48Å; A193-C197 PolarHBondContact O-N 3.23Å; I194-C197 PolarHBondContact O-N 3.34Å; C197-N201 WeakPolarHBondContact O-CB 3.18Å; C197-N201 PolarHBondContact O-N 2.78Å; C197-N201 PolarHBondContact O-ND2 3.26Å; C197-L1159 HydrophobicContact CB-CD1 4.32Å |
| 198 | K | 90.3 | Very high | 88.6 | Confident | 25 Ų | 25 | 64 Ų | 64 | 11% | 0.109 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 174.2 | -171.4 | -167 | 178.9 | -174.4 | 0 | 111.9 | I194 R195 K196 D200 N201 D202 L1159 E1160 | I194-K198 WeakPolarHBondContact O-CB 3.11Å; I194-K198 PolarHBondContact O-N 3.48Å; R195-K198 PolarHBondContact O-N 3.35Å; K196-K198 VanDerWaalsContact C-N 3.3Å; K196-K198 PolarHBondContact O-N 2.99Å; K198-D200 VanDerWaalsContact C-N 3.33Å; K198-D200 PolarHBondContact O-N 3.5Å; K198-N201 PolarHBondContact O-N 3.36Å; K198-D202 WeakPolarHBondContact O-CB 3.26Å; K198-D202 PolarHBondContact O-N 3.34Å; K198-L1159 HydrophobicContact CB-CB 4.22Å; K198-L1159 HydrophobicContact CB-CD1 4.2Å; K198-L1159 HydrophobicContact CG-CB 4.47Å; K198-E1160 HydrophobicContact CD-CB 4.41Å; K198-E1160 IonicContact NZ-OE2 2.62Å; K198-E1160 PolarHBondContact NZ-OE2 3.43Å |
| 199 | Q | 88.5 | Confident | 89.2 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 179.4 | -75 | 177.5 | -18.8 | 0 | 0 | 112.3 | R195 K196 G203 | R195-Q199 WeakPolarHBondContact O-CG 3.48Å; R195-Q199 PolarHBondContact O-N 3.3Å; K196-Q199 PolarHBondContact O-N 3.2Å; K196-Q199 VanDerWaalsContact O-N 3.14Å; Q199-G203 PolarHBondContact O-N 3.19Å; Q199-G203 VanDerWaalsContact O-N 3.12Å |
| 200 | D | 89.4 | Confident | 89.6 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.4 | -65.4 | -18.9 | 0 | 0 | 0 | 110.7 | K196 K198 G203 N204 | K196-D200 PolarHBondContact O-N 3.36Å; K198-D200 VanDerWaalsContact C-N 3.33Å; K198-D200 PolarHBondContact O-N 3.5Å; D200-G203 PolarHBondContact O-N 3.18Å; D200-N204 PolarHBondContact O-N 2.93Å; D200-N204 VanDerWaalsContact O-N 3.12Å |
| 201 | N | 88.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 176.9 | -74.3 | -23.2 | 0 | 0 | 0 | 113.2 | C197 K198 G203 N204 V205 C1156 | C197-N201 WeakPolarHBondContact O-CB 3.18Å; C197-N201 PolarHBondContact O-N 2.78Å; C197-N201 PolarHBondContact O-ND2 3.26Å; K198-N201 PolarHBondContact O-N 3.36Å; N201-G203 PolarHBondContact O-N 3.33Å; N201-N204 PolarHBondContact O-N 3.46Å; N201-N204 VanDerWaalsContact O-N 3.13Å; N201-V205 WeakPolarHBondContact O-CG2 3.07Å; N201-V205 PolarHBondContact O-N 3.14Å; N201-C1156 WeakPolarHBondContact CB-SG 3.27Å |
| 202 | D | 89.5 | Confident | 90 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -33.4 | 173.3 | -87.2 | -24.1 | 0 | 0 | 0 | 111.1 | K198 K206 | K198-D202 WeakPolarHBondContact O-CB 3.26Å; K198-D202 PolarHBondContact O-N 3.34Å; D202-K206 WeakPolarHBondContact O-CG 3.41Å; D202-K206 PolarHBondContact O-N 3.19Å |
| 203 | G | 89.6 | Confident | 90.3 | Very high | 32 Ų | 32 | 72 Ų | 72 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q199 D200 N201 V205 K206 L207 | Q199-G203 PolarHBondContact O-N 3.19Å; Q199-G203 VanDerWaalsContact O-N 3.12Å; D200-G203 PolarHBondContact O-N 3.18Å; N201-G203 PolarHBondContact O-N 3.33Å; G203-V205 PolarHBondContact O-N 3.01Å; G203-K206 WeakPolarHBondContact O-CB 3.15Å; G203-K206 PolarHBondContact O-N 3.32Å; G203-L207 PolarHBondContact O-N 3.29Å |
| 204 | N | 90.4 | Very high | 90.2 | Very high | 59 Ų | 59 | 74.6 Ų | 74.6 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.2 | -66.3 | -24.1 | 0 | 0 | 0 | 112.3 | D200 N201 K206 L207 Y208 | D200-N204 PolarHBondContact O-N 2.93Å; D200-N204 VanDerWaalsContact O-N 3.12Å; N201-N204 PolarHBondContact O-N 3.46Å; N201-N204 VanDerWaalsContact O-N 3.13Å; N204-K206 VanDerWaalsContact C-N 3.25Å; N204-K206 PolarHBondContact O-N 3.08Å; N204-L207 WeakPolarHBondContact O-CB 3.44Å; N204-L207 PolarHBondContact O-N 3.47Å; N204-Y208 HydrophobicContact CB-CD2 4.31Å; N204-Y208 HydrophobicContact CB-CE2 3.8Å; N204-Y208 VanDerWaalsContact O-CD2 3.29Å; N204-Y208 WeakPolarHBondContact O-CD2 3.08Å; N204-Y208 PolarHBondContact O-N 3.47Å |
| 205 | V | 91.7 | Very high | 90.2 | Very high | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.9 | -39.1 | 175.7 | 168 | 0 | 0 | 0 | 0 | 111.3 | N201 G203 K209 L1149 E1153 | N201-V205 WeakPolarHBondContact O-CG2 3.07Å; N201-V205 PolarHBondContact O-N 3.14Å; G203-V205 PolarHBondContact O-N 3.01Å; V205-K209 HydrophobicContact CG1-CD 4.24Å; V205-K209 WeakPolarHBondContact O-CB 3.44Å; V205-K209 VanDerWaalsContact O-CG 3.27Å; V205-K209 WeakPolarHBondContact O-CG 3.46Å; V205-K209 PolarHBondContact O-N 3.15Å; V205-L1149 HydrophobicContact CG1-CD1 3.91Å; V205-E1153 HydrophobicContact CG1-CG 3.91Å; V205-E1153 HydrophobicContact CG2-CG 4.26Å |
| 206 | K | 91.4 | Very high | 90.3 | Very high | 151 Ų | 151 | 72.8 Ų | 72.8 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.1 | -39.7 | 175.9 | -70 | 173.3 | -176 | 177.3 | 0 | 112.5 | D202 G203 N204 T210 | D202-K206 WeakPolarHBondContact O-CG 3.41Å; D202-K206 PolarHBondContact O-N 3.19Å; G203-K206 WeakPolarHBondContact O-CB 3.15Å; G203-K206 PolarHBondContact O-N 3.32Å; N204-K206 VanDerWaalsContact C-N 3.25Å; N204-K206 PolarHBondContact O-N 3.08Å; K206-T210 PolarHBondContact O-N 3.19Å; K206-T210 PolarHBondContact O-OG1 2.8Å |
| 207 | L | 91.6 | Very high | 90.4 | Very high | 111 Ų | 111 | 72.7 Ų | 72.7 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.1 | -52.6 | 175.2 | -68 | 171.1 | 0 | 0 | 0 | 110.3 | G203 N204 K209 T210 E211 | G203-L207 PolarHBondContact O-N 3.29Å; N204-L207 WeakPolarHBondContact O-CB 3.44Å; N204-L207 PolarHBondContact O-N 3.47Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.3Å; L207-T210 WeakPolarHBondContact O-CA 3.46Å; L207-T210 WeakPolarHBondContact O-CB 2.89Å; L207-T210 PolarHBondContact O-N 3.47Å; L207-E211 PolarHBondContact O-N 3.26Å |
| 208 | Y | 94.3 | Very high | 90.3 | Very high | 53 Ų | 53 | 72.9 Ų | 72.9 | 21% | 0.208 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 178.4 | -59.3 | -30.8 | 0 | 0 | 0 | 112.9 | N204 T210 E211 L212 M1145 Q1148 S1152 | N204-Y208 HydrophobicContact CB-CD2 4.31Å; N204-Y208 HydrophobicContact CB-CE2 3.8Å; N204-Y208 VanDerWaalsContact O-CD2 3.29Å; N204-Y208 WeakPolarHBondContact O-CD2 3.08Å; N204-Y208 PolarHBondContact O-N 3.47Å; Y208-T210 VanDerWaalsContact C-N 3.28Å; Y208-T210 PolarHBondContact O-N 3.47Å; Y208-E211 PolarHBondContact O-N 3.09Å; Y208-L212 WeakPolarHBondContact O-CB 3.36Å; Y208-L212 PolarHBondContact O-N 2.97Å; Y208-M1145 HydrophobicContact CD1-CE 4.21Å; Y208-M1145 HydrophobicContact CD1-SD 3.43Å; Y208-M1145 WeakPolarHBondContact CD1-SD 3.23Å; Y208-M1145 HydrophobicContact CE1-SD 4.28Å; Y208-M1145 HydrophobicContact CG-SD 3.83Å; Y208-Q1148 HydrophobicContact CD2-CB 4.45Å; Y208-Q1148 HydrophobicContact CE2-CB 4.33Å; Y208-S1152 WeakPolarHBondContact CE2-OG 3.36Å |
| 209 | K | 91.5 | Very high | 90.3 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 172.5 | -81.3 | 179.1 | -176.2 | -177.6 | 0 | 113 | V205 L207 K213 L1149 E1153 | V205-K209 HydrophobicContact CG1-CD 4.24Å; V205-K209 WeakPolarHBondContact O-CB 3.44Å; V205-K209 VanDerWaalsContact O-CG 3.27Å; V205-K209 WeakPolarHBondContact O-CG 3.46Å; V205-K209 PolarHBondContact O-N 3.15Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.3Å; K209-K213 WeakPolarHBondContact O-CG 3.38Å; K209-K213 PolarHBondContact O-N 2.9Å; K209-L1149 HydrophobicContact CD-CD1 4.43Å; K209-L1149 HydrophobicContact CG-CD1 3.63Å; K209-L1149 HydrophobicContact CG-CD2 3.88Å; K209-L1149 HydrophobicContact CG-CG 4.43Å; K209-E1153 WeakPolarHBondContact CE-OE1 3.38Å; K209-E1153 IonicContact NZ-OE1 3.69Å; K209-E1153 PolarHBondContact NZ-OE1 3.17Å |
| 210 | T | 91.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 73.3 Ų | 73.3 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -75.3 | -46.4 | 179.3 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | K206 L207 Y208 K213 H214 | K206-T210 PolarHBondContact O-N 3.19Å; K206-T210 PolarHBondContact O-OG1 2.8Å; L207-T210 WeakPolarHBondContact O-CA 3.46Å; L207-T210 WeakPolarHBondContact O-CB 2.89Å; L207-T210 PolarHBondContact O-N 3.47Å; Y208-T210 VanDerWaalsContact C-N 3.28Å; Y208-T210 PolarHBondContact O-N 3.47Å; T210-K213 WeakPolarHBondContact O-CB 3.49Å; T210-K213 PolarHBondContact O-N 3.12Å; T210-H214 PolarHBondContact O-CD2 2.74Å; T210-H214 PolarHBondContact O-N 3.39Å |
| 211 | E | 89.5 | Confident | 90.3 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 177.6 | -167.1 | 165.5 | -174.6 | 0 | 0 | 112.4 | L207 Y208 K213 H214 L215 M1145 | L207-E211 PolarHBondContact O-N 3.26Å; Y208-E211 PolarHBondContact O-N 3.09Å; E211-K213 PolarHBondContact O-N 3.27Å; E211-H214 WeakPolarHBondContact O-CB 2.93Å; E211-H214 PolarHBondContact O-N 3.32Å; E211-L215 HydrophobicContact CG-CD1 4.18Å; E211-L215 WeakPolarHBondContact O-CG 3.4Å; E211-L215 PolarHBondContact O-N 3.15Å; E211-M1145 HydrophobicContact CB-CE 4.43Å; E211-M1145 HydrophobicContact CB-CG 4.33Å; E211-M1145 HydrophobicContact CB-SD 4.19Å; E211-M1145 HydrophobicContact CG-CE 3.86Å; E211-M1145 HydrophobicContact CG-CG 4.3Å; E211-M1145 HydrophobicContact CG-SD 4.24Å; E211-M1145 WeakPolarHBondContact OE1-CE 3.36Å; E211-M1145 WeakPolarHBondContact OE2-CE 3.48Å |
| 212 | L | 91.2 | Very high | 90.4 | Very high | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 175.9 | -169.2 | 69 | 0 | 0 | 0 | 112.2 | Y208 L215 T216 Y1142 M1145 M1146 L1149 | Y208-L212 WeakPolarHBondContact O-CB 3.36Å; Y208-L212 PolarHBondContact O-N 2.97Å; L212-L215 PolarHBondContact O-N 3.05Å; L212-T216 WeakPolarHBondContact O-CB 3.26Å; L212-T216 PolarHBondContact O-N 3.43Å; L212-T216 PolarHBondContact O-OG1 2.92Å; L212-Y1142 HydrophobicContact CD1-CD2 3.74Å; L212-Y1142 HydrophobicContact CD1-CE2 3.71Å; L212-Y1142 HydrophobicContact CD1-CG 4.47Å; L212-Y1142 HydrophobicContact CG-CE2 4.22Å; L212-M1145 HydrophobicContact CB-CG 4.08Å; L212-M1145 HydrophobicContact CD1-CB 4.08Å; L212-M1145 HydrophobicContact CD1-CG 4.1Å; L212-M1146 HydrophobicContact CD1-CB 3.95Å; L212-L1149 HydrophobicContact CD2-CD2 3.61Å |
| 213 | K | 90.4 | Very high | 90.3 | Very high | 151 Ų | 151 | 71.8 Ų | 71.8 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 174.6 | -73.2 | 173.6 | -179.1 | -177.6 | 0 | 112.2 | K209 T210 E211 K217 | K209-K213 WeakPolarHBondContact O-CG 3.38Å; K209-K213 PolarHBondContact O-N 2.9Å; T210-K213 WeakPolarHBondContact O-CB 3.49Å; T210-K213 PolarHBondContact O-N 3.12Å; E211-K213 PolarHBondContact O-N 3.27Å; K213-K217 PolarHBondContact O-N 3.43Å |
| 214 | H | 88.3 | Confident | 90.3 | Very high | 113 Ų | 113 | 76.7 Ų | 76.7 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68 | -47.4 | 175.2 | -67.9 | -72.3 | 0 | 0 | 0 | 110.8 | T210 E211 T216 K217 N218 | T210-H214 PolarHBondContact O-CD2 2.74Å; T210-H214 PolarHBondContact O-N 3.39Å; E211-H214 WeakPolarHBondContact O-CB 2.93Å; E211-H214 PolarHBondContact O-N 3.32Å; H214-T216 VanDerWaalsContact C-N 3.29Å; H214-T216 PolarHBondContact O-N 3.47Å; H214-K217 WeakPolarHBondContact O-CB 3.16Å; H214-K217 PolarHBondContact O-N 3.48Å; H214-K217 VanDerWaalsContact O-N 3.11Å; H214-N218 PolarHBondContact O-N 3.36Å; H214-N218 VanDerWaalsContact O-N 3.1Å; H214-N218 PolarHBondContact O-OD1 3.44Å |
| 215 | L | 90.5 | Very high | 90.3 | Very high | 16 Ų | 16 | 75.1 Ų | 75.1 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.7 | -31.3 | 178.3 | -65.4 | 174 | 0 | 0 | 0 | 112.9 | E211 L212 N218 R219 E1141 M1145 | E211-L215 HydrophobicContact CG-CD1 4.18Å; E211-L215 WeakPolarHBondContact O-CG 3.4Å; E211-L215 PolarHBondContact O-N 3.15Å; L212-L215 PolarHBondContact O-N 3.05Å; L215-N218 PolarHBondContact O-N 3.01Å; L215-R219 WeakPolarHBondContact O-CB 3.36Å; L215-R219 PolarHBondContact O-N 3Å; L215-E1141 HydrophobicContact CD1-CB 4.29Å; L215-E1141 WeakPolarHBondContact CD1-O 3.18Å; L215-E1141 HydrophobicContact CD2-CB 3.94Å; L215-M1145 HydrophobicContact CD1-CB 3.56Å; L215-M1145 HydrophobicContact CD1-CG 3.89Å |
| 216 | T | 88.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 78.1 Ų | 78.1 | 24% | 0.239 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 172.7 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | L212 H214 R219 D220 Y1142 | L212-T216 WeakPolarHBondContact O-CB 3.26Å; L212-T216 PolarHBondContact O-N 3.43Å; L212-T216 PolarHBondContact O-OG1 2.92Å; H214-T216 VanDerWaalsContact C-N 3.29Å; H214-T216 PolarHBondContact O-N 3.47Å; T216-R219 PolarHBondContact O-N 3.23Å; T216-D220 WeakPolarHBondContact O-CB 3.33Å; T216-D220 PolarHBondContact O-N 2.89Å; T216-Y1142 HydrophobicContact CG2-CE2 4.47Å; T216-Y1142 WeakPolarHBondContact OG1-CE2 3.24Å |
| 217 | K | 90.1 | Very high | 90.2 | Very high | 135 Ų | 135 | 73.6 Ų | 73.6 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 175.9 | -68.6 | -178.7 | 176.9 | -173.7 | 0 | 111.3 | K213 H214 R219 D220 E221 | K213-K217 PolarHBondContact O-N 3.43Å; H214-K217 WeakPolarHBondContact O-CB 3.16Å; H214-K217 PolarHBondContact O-N 3.48Å; H214-K217 VanDerWaalsContact O-N 3.11Å; K217-R219 VanDerWaalsContact C-N 3.34Å; K217-R219 PolarHBondContact O-N 3.18Å; K217-D220 PolarHBondContact O-N 3.2Å; K217-E221 WeakPolarHBondContact O-CB 3.42Å; K217-E221 WeakPolarHBondContact O-CG 3.23Å; K217-E221 PolarHBondContact O-N 2.99Å |
| 218 | N | 88.8 | Confident | 90.2 | Very high | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.7 | -67 | 4.4 | 0 | 0 | 0 | 111.7 | H214 L215 E221 A222 Y1135 | H214-N218 PolarHBondContact O-N 3.36Å; H214-N218 VanDerWaalsContact O-N 3.1Å; H214-N218 PolarHBondContact O-OD1 3.44Å; L215-N218 PolarHBondContact O-N 3.01Å; N218-E221 PolarHBondContact O-N 3.03Å; N218-A222 WeakPolarHBondContact O-CB 3.48Å; N218-A222 PolarHBondContact O-N 2.69Å; N218-Y1135 HydrophobicContact CB-CD1 4.43Å; N218-Y1135 HydrophobicContact CB-CE1 4.35Å; N218-Y1135 WeakPolarHBondContact O-CD1 3.24Å |
| 219 | R | 91.5 | Very high | 90.1 | Very high | 61 Ų | 61 | 73.8 Ų | 73.8 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.7 | -171.8 | -156 | 67.2 | -177.1 | -0.1 | 111.9 | L215 T216 K217 A222 L223 D1139 | L215-R219 WeakPolarHBondContact O-CB 3.36Å; L215-R219 PolarHBondContact O-N 3Å; T216-R219 PolarHBondContact O-N 3.23Å; K217-R219 VanDerWaalsContact C-N 3.34Å; K217-R219 PolarHBondContact O-N 3.18Å; R219-A222 WeakPolarHBondContact O-CB 3.42Å; R219-A222 PolarHBondContact O-N 3.37Å; R219-L223 HydrophobicContact CG-CD1 4.42Å; R219-L223 WeakPolarHBondContact O-CG 3.49Å; R219-L223 PolarHBondContact O-N 3.41Å; R219-D1139 VanDerWaalsContact CG-OD1 3.31Å; R219-D1139 WeakPolarHBondContact CG-OD1 3.42Å |
| 220 | D | 89 | Confident | 90 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | -179.6 | -67 | -10.5 | 0 | 0 | 0 | 111.8 | T216 K217 K224 | T216-D220 WeakPolarHBondContact O-CB 3.33Å; T216-D220 PolarHBondContact O-N 2.89Å; K217-D220 PolarHBondContact O-N 3.2Å; D220-K224 WeakPolarHBondContact O-CG 3.39Å; D220-K224 PolarHBondContact O-N 3.05Å; D220-K224 VanDerWaalsContact O-N 3.16Å |
| 221 | E | 88.8 | Confident | 90 | Very high | 82 Ų | 82 | 77.5 Ų | 77.5 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 170 | -74 | 174.4 | -172.5 | 0 | 0 | 111.8 | K217 N218 L223 K224 L225 Y1135 | K217-E221 WeakPolarHBondContact O-CB 3.42Å; K217-E221 WeakPolarHBondContact O-CG 3.23Å; K217-E221 PolarHBondContact O-N 2.99Å; N218-E221 PolarHBondContact O-N 3.03Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 3.41Å; E221-K224 PolarHBondContact O-N 3.13Å; E221-L225 WeakPolarHBondContact O-CG 3.43Å; E221-L225 PolarHBondContact O-N 3.26Å; E221-Y1135 HydrophobicContact CB-CE1 3.83Å; E221-Y1135 PolarHBondContact OE2-OH 3.28Å |
| 222 | A | 90.2 | Very high | 90 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | N218 R219 L225 R226 Y1135 A1138 | N218-A222 WeakPolarHBondContact O-CB 3.48Å; N218-A222 PolarHBondContact O-N 2.69Å; R219-A222 WeakPolarHBondContact O-CB 3.42Å; R219-A222 PolarHBondContact O-N 3.37Å; A222-L225 PolarHBondContact O-N 3.3Å; A222-R226 VanDerWaalsContact O-CG 3.3Å; A222-R226 WeakPolarHBondContact O-CG 3.42Å; A222-R226 PolarHBondContact O-N 3.32Å; A222-Y1135 HydrophobicContact CB-CD1 4.04Å; A222-Y1135 HydrophobicContact CB-CG 3.99Å; A222-A1138 HydrophobicContact CB-CB 3.92Å |
| 223 | L | 87.8 | Confident | 90 | Very high | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -41 | 177.6 | -74.8 | 169.5 | 0 | 0 | 0 | 112.1 | R219 E221 R226 S227 | R219-L223 HydrophobicContact CG-CD1 4.42Å; R219-L223 WeakPolarHBondContact O-CG 3.49Å; R219-L223 PolarHBondContact O-N 3.41Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 3.41Å; L223-R226 PolarHBondContact O-N 3.4Å; L223-S227 PolarHBondContact O-N 3.31Å |
| 224 | K | 90.4 | Very high | 90 | Very high | 135 Ų | 135 | 73.6 Ų | 73.6 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.1 | -49.5 | 174.4 | -72.5 | 172 | -174.9 | 176.8 | 0 | 111.5 | D220 E221 R226 S227 E228 | D220-K224 WeakPolarHBondContact O-CG 3.39Å; D220-K224 PolarHBondContact O-N 3.05Å; D220-K224 VanDerWaalsContact O-N 3.16Å; E221-K224 PolarHBondContact O-N 3.13Å; K224-R226 VanDerWaalsContact C-N 3.32Å; K224-R226 PolarHBondContact O-N 3.03Å; K224-S227 WeakPolarHBondContact O-CB 3.46Å; K224-S227 PolarHBondContact O-N 3.46Å; K224-E228 WeakPolarHBondContact O-CG 3.38Å; K224-E228 PolarHBondContact O-N 3.48Å |
| 225 | L | 90 | Very high | 90.1 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -35 | 179.2 | -68.5 | 175.7 | 0 | 0 | 0 | 112.5 | E221 A222 E228 R229 L1127 D1130 L1131 Y1135 | E221-L225 WeakPolarHBondContact O-CG 3.43Å; E221-L225 PolarHBondContact O-N 3.26Å; A222-L225 PolarHBondContact O-N 3.3Å; L225-E228 PolarHBondContact O-N 3.03Å; L225-R229 WeakPolarHBondContact O-CB 3.32Å; L225-R229 PolarHBondContact O-N 3.5Å; L225-L1127 HydrophobicContact CD2-CD2 3.67Å; L225-D1130 HydrophobicContact CD1-CB 4.29Å; L225-L1131 HydrophobicContact CB-CD1 4.49Å; L225-L1131 HydrophobicContact CB-CD2 3.67Å; L225-L1131 HydrophobicContact CB-CG 3.98Å; L225-Y1135 HydrophobicContact CD1-CD2 3.58Å; L225-Y1135 HydrophobicContact CD1-CE2 3.42Å; L225-Y1135 VanDerWaalsContact CD1-CE2 3.42Å |
| 226 | R | 91.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 70.2 Ų | 70.2 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 173.8 | -72.8 | 177.8 | -167.6 | 165 | 6.7 | 112.2 | A222 L223 K224 R229 E230 L1131 D1139 | A222-R226 VanDerWaalsContact O-CG 3.3Å; A222-R226 WeakPolarHBondContact O-CG 3.42Å; A222-R226 PolarHBondContact O-N 3.32Å; L223-R226 PolarHBondContact O-N 3.4Å; K224-R226 VanDerWaalsContact C-N 3.32Å; K224-R226 PolarHBondContact O-N 3.03Å; R226-R229 WeakPolarHBondContact O-CB 3.49Å; R226-R229 PolarHBondContact O-N 3.5Å; R226-E230 PolarHBondContact O-N 3.4Å; R226-L1131 HydrophobicContact CG-CD1 4.02Å; R226-L1131 HydrophobicContact CG-CD2 3.67Å; R226-D1139 IonicContact CZ-OD2 2.68Å; R226-D1139 IonicContact NH1-OD2 2.85Å; R226-D1139 PolarHBondContact NH1-OD2 3.2Å; R226-D1139 IonicContact NH2-OD2 3.54Å; R226-D1139 PolarHBondContact NH2-OD2 2.71Å |
| 227 | S | 89.4 | Confident | 90.1 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 173.6 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | L223 K224 R229 E230 E231 | L223-S227 PolarHBondContact O-N 3.31Å; K224-S227 WeakPolarHBondContact O-CB 3.46Å; K224-S227 PolarHBondContact O-N 3.46Å; S227-R229 VanDerWaalsContact C-N 3.28Å; S227-R229 PolarHBondContact O-N 2.89Å; S227-E230 PolarHBondContact O-N 3.17Å; S227-E231 WeakPolarHBondContact O-CG 3.47Å; S227-E231 PolarHBondContact O-N 3.14Å |
| 228 | E | 91.4 | Very high | 90.1 | Very high | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 176.1 | -72.2 | 179.9 | -152.6 | 0 | 0 | 112.3 | K224 L225 T232 L1127 | K224-E228 WeakPolarHBondContact O-CG 3.38Å; K224-E228 PolarHBondContact O-N 3.48Å; L225-E228 PolarHBondContact O-N 3.03Å; E228-T232 VanDerWaalsContact O-CB 3.29Å; E228-T232 WeakPolarHBondContact O-CB 3.29Å; E228-T232 PolarHBondContact O-N 2.87Å; E228-T232 PolarHBondContact O-OG1 2.72Å; E228-L1127 HydrophobicContact CB-CD1 4.09Å; E228-L1127 HydrophobicContact CB-CD2 4.2Å |
| 229 | R | 92.5 | Very high | 90.1 | Very high | 90 Ų | 90 | 72.8 Ų | 72.8 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.1 | -173.2 | -159.2 | 115.6 | -164.6 | -3.1 | 111.3 | L225 R226 S227 T232 L233 L1124 L1127 N1128 L1131 | L225-R229 WeakPolarHBondContact O-CB 3.32Å; L225-R229 PolarHBondContact O-N 3.5Å; R226-R229 WeakPolarHBondContact O-CB 3.49Å; R226-R229 PolarHBondContact O-N 3.5Å; S227-R229 VanDerWaalsContact C-N 3.28Å; S227-R229 PolarHBondContact O-N 2.89Å; R229-T232 PolarHBondContact O-N 3.18Å; R229-L233 HydrophobicContact CG-CD1 4.3Å; R229-L233 WeakPolarHBondContact O-CB 3.32Å; R229-L233 WeakPolarHBondContact O-CG 3.22Å; R229-L233 PolarHBondContact O-N 3.07Å; R229-L1124 HydrophobicContact CG-CD1 3.73Å; R229-L1127 HydrophobicContact CB-CB 4.5Å; R229-L1127 HydrophobicContact CB-CD1 4.44Å; R229-N1128 VanDerWaalsContact CD-OD1 3.32Å; R229-N1128 WeakPolarHBondContact CD-OD1 3.4Å; R229-L1131 HydrophobicContact CB-CD1 4.17Å; R229-L1131 HydrophobicContact CG-CD1 4.4Å |
| 230 | E | 89.6 | Confident | 90 | Very high | 126 Ų | 126 | 74.3 Ų | 74.3 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 177.1 | -74.5 | 175.9 | -177.4 | 0 | 0 | 111.6 | R226 S227 T232 L233 H234 | R226-E230 PolarHBondContact O-N 3.4Å; S227-E230 PolarHBondContact O-N 3.17Å; E230-T232 VanDerWaalsContact C-N 3.34Å; E230-T232 PolarHBondContact O-N 2.7Å; E230-L233 PolarHBondContact O-N 3.43Å; E230-H234 PolarHBondContact O-N 3.28Å |
| 231 | E | 90.7 | Very high | 90 | Very high | 121 Ų | 121 | 77.4 Ų | 77.4 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.9 | -40.2 | 174.2 | -72.1 | 174.3 | -162.8 | 0 | 0 | 112.4 | S227 S235 | S227-E231 WeakPolarHBondContact O-CG 3.47Å; S227-E231 PolarHBondContact O-N 3.14Å; E231-S235 WeakPolarHBondContact O-CB 3.27Å; E231-S235 PolarHBondContact O-N 3.48Å; E231-S235 PolarHBondContact O-OG 2.82Å |
| 232 | T | 90.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111 | E228 R229 E230 S235 I236 L1120 K1123 L1124 | E228-T232 VanDerWaalsContact O-CB 3.29Å; E228-T232 WeakPolarHBondContact O-CB 3.29Å; E228-T232 PolarHBondContact O-N 2.87Å; E228-T232 PolarHBondContact O-OG1 2.72Å; R229-T232 PolarHBondContact O-N 3.18Å; E230-T232 VanDerWaalsContact C-N 3.34Å; E230-T232 PolarHBondContact O-N 2.7Å; T232-S235 WeakPolarHBondContact O-CB 3.36Å; T232-S235 PolarHBondContact O-N 3.43Å; T232-I236 HydrophobicContact CG2-CD1 4.11Å; T232-I236 VanDerWaalsContact O-CG1 3.31Å; T232-I236 WeakPolarHBondContact O-CG1 3.48Å; T232-I236 PolarHBondContact O-N 3.15Å; T232-L1120 HydrophobicContact CG2-CB 4.47Å; T232-L1120 HydrophobicContact CG2-CD2 4.28Å; T232-L1120 WeakPolarHBondContact CG2-O 3.41Å; T232-K1123 HydrophobicContact CG2-CB 4.45Å; T232-K1123 HydrophobicContact CG2-CD 4.46Å; T232-L1124 HydrophobicContact CG2-CB 4.08Å |
| 233 | L | 90.8 | Very high | 89.8 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 29% | 0.293 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 174.4 | -78.5 | 168.3 | 0 | 0 | 0 | 111.5 | R229 E230 S235 I236 E237 L1124 | R229-L233 HydrophobicContact CG-CD1 4.3Å; R229-L233 WeakPolarHBondContact O-CB 3.32Å; R229-L233 WeakPolarHBondContact O-CG 3.22Å; R229-L233 PolarHBondContact O-N 3.07Å; E230-L233 PolarHBondContact O-N 3.43Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-S235 PolarHBondContact O-N 3.17Å; L233-I236 WeakPolarHBondContact O-CB 3.33Å; L233-I236 PolarHBondContact O-N 2.98Å; L233-I236 VanDerWaalsContact O-N 3.13Å; L233-E237 PolarHBondContact O-N 2.8Å; L233-L1124 HydrophobicContact CD2-CD1 3.9Å; L233-L1124 HydrophobicContact CD2-CD2 3.61Å; L233-L1124 HydrophobicContact CD2-CG 4.43Å; L233-L1124 HydrophobicContact CG-CD1 3.83Å; L233-L1124 HydrophobicContact CG-CD2 4.43Å |
| 234 | H | 90.4 | Very high | 89.7 | Confident | 127 Ų | 127 | 80.4 Ų | 80.4 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.9 | -35.6 | 177.3 | -169.5 | 60.1 | 0 | 0 | 0 | 112.5 | E230 E237 K238 | E230-H234 PolarHBondContact O-N 3.28Å; H234-E237 IonicContact ND1-OE2 2.69Å; H234-K238 WeakPolarHBondContact O-CB 3.38Å; H234-K238 PolarHBondContact O-N 3.47Å; H234-K238 VanDerWaalsContact O-N 3.08Å |
| 235 | S | 90.2 | Very high | 89.6 | Confident | 49 Ų | 49 | 78 Ų | 78 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | E231 T232 L233 Q239 | E231-S235 WeakPolarHBondContact O-CB 3.27Å; E231-S235 PolarHBondContact O-N 3.48Å; E231-S235 PolarHBondContact O-OG 2.82Å; T232-S235 WeakPolarHBondContact O-CB 3.36Å; T232-S235 PolarHBondContact O-N 3.43Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-S235 PolarHBondContact O-N 3.17Å; S235-Q239 VanDerWaalsContact O-CG 3.29Å; S235-Q239 WeakPolarHBondContact O-CG 3.22Å; S235-Q239 PolarHBondContact O-N 3.11Å |
| 236 | I | 90.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -52.9 | 174.4 | -70.8 | 163.9 | 0 | 0 | 0 | 109.9 | T232 L233 K238 Q239 E240 L1117 L1120 L1124 | T232-I236 HydrophobicContact CG2-CD1 4.11Å; T232-I236 VanDerWaalsContact O-CG1 3.31Å; T232-I236 WeakPolarHBondContact O-CG1 3.48Å; T232-I236 PolarHBondContact O-N 3.15Å; L233-I236 WeakPolarHBondContact O-CB 3.33Å; L233-I236 PolarHBondContact O-N 2.98Å; L233-I236 VanDerWaalsContact O-N 3.13Å; I236-K238 PolarHBondContact O-N 2.67Å; I236-Q239 CarbonylContact O-C 3.44Å; I236-Q239 PolarHBondContact O-N 3.23Å; I236-E240 HydrophobicContact CG2-CG 4.05Å; I236-E240 WeakPolarHBondContact O-CG 3.32Å; I236-E240 PolarHBondContact O-N 2.77Å; I236-L1117 HydrophobicContact CG2-CD2 4.06Å; I236-L1120 HydrophobicContact CD1-CB 4.19Å; I236-L1120 HydrophobicContact CG1-CB 3.62Å; I236-L1120 HydrophobicContact CG1-CD1 4.28Å; I236-L1124 HydrophobicContact CD1-CB 3.94Å; I236-L1124 HydrophobicContact CD1-CD2 3.64Å; I236-L1124 HydrophobicContact CD1-CG 4.33Å |
| 237 | E | 88.9 | Confident | 89 | Confident | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -54 | -41.7 | 178.3 | -72.5 | 175.8 | 176.7 | 0 | 0 | 111.9 | L233 H234 K241 | L233-E237 PolarHBondContact O-N 2.8Å; H234-E237 IonicContact ND1-OE2 2.69Å; E237-K241 WeakPolarHBondContact O-CB 3.46Å; E237-K241 PolarHBondContact O-N 2.87Å |
| 238 | K | 89.9 | Confident | 88.8 | Confident | 133 Ų | 133 | 77.4 Ų | 77.4 | 58% | 0.578 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 175.8 | -177.1 | -179.6 | 177.9 | -177.7 | 0 | 112.3 | H234 I236 N242 | H234-K238 WeakPolarHBondContact O-CB 3.38Å; H234-K238 PolarHBondContact O-N 3.47Å; H234-K238 VanDerWaalsContact O-N 3.08Å; I236-K238 PolarHBondContact O-N 2.67Å; K238-N242 PolarHBondContact O-N 2.88Å; K238-N242 PolarHBondContact O-ND2 3.31Å; K238-N242 PolarHBondContact O-OD1 3.14Å |
| 239 | Q | 88.5 | Confident | 88.6 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 16% | 0.159 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.2 | -32.3 | -179.7 | -66.5 | -64.9 | 4.5 | 0 | 0 | 112.7 | S235 I236 N242 L243 I1113 L1117 L1120 | S235-Q239 VanDerWaalsContact O-CG 3.29Å; S235-Q239 WeakPolarHBondContact O-CG 3.22Å; S235-Q239 PolarHBondContact O-N 3.11Å; I236-Q239 CarbonylContact O-C 3.44Å; I236-Q239 PolarHBondContact O-N 3.23Å; Q239-N242 PolarHBondContact O-N 2.77Å; Q239-N242 PolarHBondContact OE1-ND2 3.32Å; Q239-L243 WeakPolarHBondContact O-CB 3.49Å; Q239-L243 PolarHBondContact O-N 3.16Å; Q239-I1113 HydrophobicContact CB-CG2 4.36Å; Q239-I1113 WeakPolarHBondContact O-CG2 3.41Å; Q239-L1117 HydrophobicContact CB-CD1 4.38Å; Q239-L1117 HydrophobicContact CB-CD2 3.58Å; Q239-L1117 HydrophobicContact CB-CG 3.73Å; Q239-L1120 HydrophobicContact CG-CD1 4.02Å |
| 240 | E | 88.6 | Confident | 88.2 | Confident | 92 Ų | 92 | 75 Ų | 75 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 171.5 | -73.5 | 179.7 | 155.5 | 0 | 0 | 110.4 | I236 N242 L243 E244 L1117 | I236-E240 HydrophobicContact CG2-CG 4.05Å; I236-E240 WeakPolarHBondContact O-CG 3.32Å; I236-E240 PolarHBondContact O-N 2.77Å; E240-N242 PolarHBondContact O-N 3.48Å; E240-L243 WeakPolarHBondContact O-CB 3.47Å; E240-L243 PolarHBondContact O-N 3.45Å; E240-L243 VanDerWaalsContact O-N 3.14Å; E240-E244 PolarHBondContact O-N 2.69Å; E240-L1117 HydrophobicContact CG-CD1 4.33Å; E240-L1117 HydrophobicContact CG-CD2 3.74Å |
| 241 | K | 88.8 | Confident | 87.9 | Confident | 129 Ų | 129 | 74.5 Ų | 74.5 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 173.1 | -172.1 | -179.5 | 177.3 | -178.5 | 0 | 112.4 | E237 L243 E244 E245 | E237-K241 WeakPolarHBondContact O-CB 3.46Å; E237-K241 PolarHBondContact O-N 2.87Å; K241-L243 VanDerWaalsContact C-N 3.31Å; K241-L243 PolarHBondContact O-N 3.49Å; K241-E244 PolarHBondContact O-N 2.88Å; K241-E245 WeakPolarHBondContact O-CG 3.45Å; K241-E245 PolarHBondContact O-N 2.72Å |
| 242 | N | 87.9 | Confident | 87.7 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 174.9 | -67.5 | -22.5 | 0 | 0 | 0 | 111.8 | K238 Q239 E240 E245 M246 I1113 | K238-N242 PolarHBondContact O-N 2.88Å; K238-N242 PolarHBondContact O-ND2 3.31Å; K238-N242 PolarHBondContact O-OD1 3.14Å; Q239-N242 PolarHBondContact O-N 2.77Å; Q239-N242 PolarHBondContact OE1-ND2 3.32Å; E240-N242 PolarHBondContact O-N 3.48Å; N242-E245 PolarHBondContact O-N 2.68Å; N242-M246 WeakPolarHBondContact O-CB 3.33Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.34Å; N242-M246 PolarHBondContact O-N 3.23Å; N242-I1113 HydrophobicContact CB-CD1 4.08Å; N242-I1113 HydrophobicContact CB-CG2 4.4Å |
| 243 | L | 87.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -44 | 177.4 | -173.1 | 73.1 | 0 | 0 | 0 | 110.8 | Q239 E240 K241 M246 S247 K1110 I1113 L1117 | Q239-L243 WeakPolarHBondContact O-CB 3.49Å; Q239-L243 PolarHBondContact O-N 3.16Å; E240-L243 WeakPolarHBondContact O-CB 3.47Å; E240-L243 PolarHBondContact O-N 3.45Å; E240-L243 VanDerWaalsContact O-N 3.14Å; K241-L243 VanDerWaalsContact C-N 3.31Å; K241-L243 PolarHBondContact O-N 3.49Å; L243-M246 PolarHBondContact O-N 3.41Å; L243-S247 VanDerWaalsContact O-CB 3.24Å; L243-S247 WeakPolarHBondContact O-CB 3.17Å; L243-S247 PolarHBondContact O-N 3.37Å; L243-S247 PolarHBondContact O-OG 3.07Å; L243-K1110 HydrophobicContact CD1-CG 3.79Å; L243-I1113 HydrophobicContact CB-CG2 3.95Å; L243-I1113 HydrophobicContact CD1-CB 4.48Å; L243-I1113 HydrophobicContact CD1-CG2 4.15Å; L243-L1117 HydrophobicContact CB-CD1 4.12Å; L243-L1117 HydrophobicContact CD2-CD1 3.81Å; L243-L1117 HydrophobicContact CG-CD1 4.44Å |
| 244 | E | 86.6 | Confident | 86.8 | Confident | 137 Ų | 137 | 70.9 Ų | 70.9 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.7 | -49.4 | 173.3 | -74.3 | -178.3 | 176.5 | 0 | 0 | 110.9 | E240 K241 M246 S247 A248 | E240-E244 PolarHBondContact O-N 2.69Å; K241-E244 PolarHBondContact O-N 2.88Å; E244-M246 PolarHBondContact O-N 3.17Å; E244-S247 WeakPolarHBondContact CA-OG 3.39Å; E244-S247 PolarHBondContact O-N 3.04Å; E244-S247 PolarHBondContact O-OG 3.14Å; E244-A248 WeakPolarHBondContact O-CB 3.27Å; E244-A248 PolarHBondContact O-N 2.85Å |
| 245 | E | 87.4 | Confident | 86.4 | Confident | 83 Ų | 83 | 70.2 Ų | 70.2 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 177.2 | -73.4 | -178.9 | -164.6 | 0 | 0 | 112.9 | K241 N242 A248 K249 | K241-E245 WeakPolarHBondContact O-CG 3.45Å; K241-E245 PolarHBondContact O-N 2.72Å; N242-E245 PolarHBondContact O-N 2.68Å; E245-A248 PolarHBondContact O-N 3.41Å; E245-K249 WeakPolarHBondContact O-CG 3.3Å; E245-K249 PolarHBondContact O-N 2.95Å; E245-K249 VanDerWaalsContact O-N 3.08Å |
| 246 | M | 84.9 | Confident | 85.9 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 16% | 0.163 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69 | -36.9 | 176.9 | -69.3 | -53.9 | 137.3 | 0 | 0 | 111.9 | N242 L243 E244 K249 L250 L1106 I1113 | N242-M246 WeakPolarHBondContact O-CB 3.33Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.34Å; N242-M246 PolarHBondContact O-N 3.23Å; L243-M246 PolarHBondContact O-N 3.41Å; E244-M246 PolarHBondContact O-N 3.17Å; M246-K249 HydrophobicContact CE-CD 4.49Å; M246-K249 PolarHBondContact O-N 3.46Å; M246-K249 HydrophobicContact SD-CD 4.29Å; M246-L250 VanDerWaalsContact O-CB 3.28Å; M246-L250 WeakPolarHBondContact O-CB 3.49Å; M246-L250 PolarHBondContact O-N 3.46Å; M246-L1106 HydrophobicContact SD-CD2 4.05Å; M246-I1113 HydrophobicContact CB-CD1 4.44Å; M246-I1113 HydrophobicContact CG-CD1 3.6Å |
| 247 | S | 84.2 | Confident | 85.4 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.3 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | L243 E244 K249 L250 Q251 | L243-S247 VanDerWaalsContact O-CB 3.24Å; L243-S247 WeakPolarHBondContact O-CB 3.17Å; L243-S247 PolarHBondContact O-N 3.37Å; L243-S247 PolarHBondContact O-OG 3.07Å; E244-S247 WeakPolarHBondContact CA-OG 3.39Å; E244-S247 PolarHBondContact O-N 3.04Å; E244-S247 PolarHBondContact O-OG 3.14Å; S247-K249 VanDerWaalsContact C-N 3.29Å; S247-K249 PolarHBondContact O-N 3.21Å; S247-L250 PolarHBondContact O-N 3.15Å; S247-Q251 WeakPolarHBondContact O-CB 3.42Å; S247-Q251 PolarHBondContact O-N 2.96Å |
| 248 | A | 86 | Confident | 84.9 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -28.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | E244 E245 P252 | E244-A248 WeakPolarHBondContact O-CB 3.27Å; E244-A248 PolarHBondContact O-N 2.85Å; E245-A248 PolarHBondContact O-N 3.41Å; A248-P252 WeakPolarHBondContact O-CD 3.43Å; A248-P252 WeakPolarHBondContact O-CG 3.39Å |
| 249 | K | 86.5 | Confident | 84.3 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 45% | 0.452 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -79.4 | -38.8 | 171.6 | -71.8 | 171.9 | -173.8 | 170.5 | 0 | 112.8 | E245 M246 S247 P252 V253 L1106 | E245-K249 WeakPolarHBondContact O-CG 3.3Å; E245-K249 PolarHBondContact O-N 2.95Å; E245-K249 VanDerWaalsContact O-N 3.08Å; M246-K249 HydrophobicContact CE-CD 4.49Å; M246-K249 PolarHBondContact O-N 3.46Å; M246-K249 HydrophobicContact SD-CD 4.29Å; S247-K249 VanDerWaalsContact C-N 3.29Å; S247-K249 PolarHBondContact O-N 3.21Å; K249-P252 WeakPolarHBondContact O-CD 3.25Å; K249-P252 WeakPolarHBondContact O-CG 3.43Å; K249-V253 WeakPolarHBondContact O-CG2 3.35Å; K249-L1106 HydrophobicContact CB-CD1 4.2Å; K249-L1106 HydrophobicContact CB-CD2 4.21Å |
| 250 | L | 84.8 | Confident | 83.5 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | -40.8 | -179 | -178.5 | 65.7 | 0 | 0 | 0 | 111.5 | M246 S247 V253 V254 E1103 L1106 K1110 | M246-L250 VanDerWaalsContact O-CB 3.28Å; M246-L250 WeakPolarHBondContact O-CB 3.49Å; M246-L250 PolarHBondContact O-N 3.46Å; S247-L250 PolarHBondContact O-N 3.15Å; L250-V253 PolarHBondContact O-N 2.64Å; L250-V253 VanDerWaalsContact O-N 3.1Å; L250-V254 HydrophobicContact CD1-CG2 3.68Å; L250-V254 HydrophobicContact CG-CG2 3.77Å; L250-V254 WeakPolarHBondContact O-CG2 3.23Å; L250-V254 PolarHBondContact O-N 3.22Å; L250-E1103 HydrophobicContact CD1-CG 4.07Å; L250-L1106 HydrophobicContact CB-CB 4.4Å; L250-L1106 HydrophobicContact CD1-CB 3.81Å; L250-K1110 HydrophobicContact CD2-CD 3.82Å |
| 251 | Q | 83.1 | Confident | 82.8 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.4 | -54.9 | -178.1 | -175.8 | 177.8 | 0.6 | 0 | 0 | 113.7 | S247 V253 V254 E255 | S247-Q251 WeakPolarHBondContact O-CB 3.42Å; S247-Q251 PolarHBondContact O-N 2.96Å; Q251-V253 VanDerWaalsContact C-N 3.27Å; Q251-V253 PolarHBondContact O-N 3.36Å; Q251-V254 PolarHBondContact O-N 2.99Å; Q251-E255 VanDerWaalsContact CG-OE1 3.27Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.49Å; Q251-E255 PolarHBondContact NE2-OE1 3.25Å; Q251-E255 WeakPolarHBondContact O-CB 3.5Å; Q251-E255 WeakPolarHBondContact O-CG 3.26Å; Q251-E255 PolarHBondContact O-N 3.49Å |
| 252 | P | 85.6 | Confident | 82.2 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 34% | 0.338 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.3 | -27 | 178.7 | 26.8 | -35.6 | 0 | 0 | 0 | 112.9 | A248 K249 K256 | A248-P252 WeakPolarHBondContact O-CD 3.43Å; A248-P252 WeakPolarHBondContact O-CG 3.39Å; K249-P252 WeakPolarHBondContact O-CD 3.25Å; K249-P252 WeakPolarHBondContact O-CG 3.43Å; P252-K256 WeakPolarHBondContact O-CB 3.41Å; P252-K256 WeakPolarHBondContact O-CD 3.45Å; P252-K256 WeakPolarHBondContact O-CG 3.45Å; P252-K256 PolarHBondContact O-N 3.38Å |
| 253 | V | 82.8 | Confident | 81.2 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.1 | -46.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | K249 L250 Q251 K256 L257 L1099 E1102 E1103 L1106 | K249-V253 WeakPolarHBondContact O-CG2 3.35Å; L250-V253 PolarHBondContact O-N 2.64Å; L250-V253 VanDerWaalsContact O-N 3.1Å; Q251-V253 VanDerWaalsContact C-N 3.27Å; Q251-V253 PolarHBondContact O-N 3.36Å; V253-K256 PolarHBondContact O-N 2.97Å; V253-L257 VanDerWaalsContact O-CB 3.22Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 PolarHBondContact O-N 3.19Å; V253-L1099 HydrophobicContact CG1-CB 4.42Å; V253-L1099 HydrophobicContact CG1-CD2 3.98Å; V253-L1099 WeakPolarHBondContact CG1-O 3.26Å; V253-L1099 HydrophobicContact CG2-CD2 4.41Å; V253-E1102 HydrophobicContact CG1-CB 4.31Å; V253-E1102 HydrophobicContact CG1-CG 4.27Å; V253-E1102 HydrophobicContact CG2-CG 4.15Å; V253-E1103 HydrophobicContact CG1-CB 4.14Å; V253-L1106 HydrophobicContact CB-CD1 4.39Å; V253-L1106 HydrophobicContact CG2-CD1 3.93Å |
| 254 | V | 80.9 | Confident | 80.3 | Confident | 43 Ų | 43 | 73 Ų | 73 | 26% | 0.261 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111 | L250 Q251 K256 L257 N258 E1103 | L250-V254 HydrophobicContact CD1-CG2 3.68Å; L250-V254 HydrophobicContact CG-CG2 3.77Å; L250-V254 WeakPolarHBondContact O-CG2 3.23Å; L250-V254 PolarHBondContact O-N 3.22Å; Q251-V254 PolarHBondContact O-N 2.99Å; V254-K256 PolarHBondContact O-N 3.3Å; V254-L257 PolarHBondContact O-N 3.38Å; V254-N258 WeakPolarHBondContact O-CB 3.41Å; V254-N258 PolarHBondContact O-N 3Å; V254-E1103 HydrophobicContact CG2-CG 4.14Å |
| 255 | E | 81.8 | Confident | 79.6 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 177.3 | -74.3 | 172.4 | -171.7 | 0 | 0 | 111.5 | Q251 R259 | Q251-E255 VanDerWaalsContact CG-OE1 3.27Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.49Å; Q251-E255 PolarHBondContact NE2-OE1 3.25Å; Q251-E255 WeakPolarHBondContact O-CB 3.5Å; Q251-E255 WeakPolarHBondContact O-CG 3.26Å; Q251-E255 PolarHBondContact O-N 3.49Å; E255-R259 WeakPolarHBondContact O-CB 3.38Å; E255-R259 PolarHBondContact O-N 3.38Å; E255-R259 VanDerWaalsContact O-N 3.17Å |
| 256 | K | 79.7 | Confident | 78.7 | Confident | 109 Ų | 109 | 70 Ų | 70 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 173.8 | -77.1 | 173.4 | -175.1 | 179.9 | 0 | 111.5 | P252 V253 V254 N258 R259 Y260 L1099 | P252-K256 WeakPolarHBondContact O-CB 3.41Å; P252-K256 WeakPolarHBondContact O-CD 3.45Å; P252-K256 WeakPolarHBondContact O-CG 3.45Å; P252-K256 PolarHBondContact O-N 3.38Å; V253-K256 PolarHBondContact O-N 2.97Å; V254-K256 PolarHBondContact O-N 3.3Å; K256-N258 PolarHBondContact O-N 3.05Å; K256-R259 WeakPolarHBondContact O-CB 3.3Å; K256-R259 PolarHBondContact O-N 2.95Å; K256-Y260 HydrophobicContact CB-CD2 4.2Å; K256-Y260 HydrophobicContact CB-CE2 4.03Å; K256-Y260 WeakPolarHBondContact O-CD2 3.46Å; K256-Y260 PolarHBondContact O-N 3.06Å; K256-L1099 HydrophobicContact CB-CD1 3.9Å |
| 257 | L | 79.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | -177.2 | -176.6 | 73.2 | 0 | 0 | 0 | 111.7 | V253 V254 Y260 K261 T1096 L1099 A1100 E1103 | V253-L257 VanDerWaalsContact O-CB 3.22Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 PolarHBondContact O-N 3.19Å; V254-L257 PolarHBondContact O-N 3.38Å; L257-Y260 CarbonylContact O-C 3.51Å; L257-Y260 PolarHBondContact O-N 3.41Å; L257-K261 HydrophobicContact CG-CD 4.14Å; L257-K261 HydrophobicContact CG-CG 4.39Å; L257-K261 WeakPolarHBondContact O-CB 3.41Å; L257-K261 WeakPolarHBondContact O-CG 3.16Å; L257-K261 PolarHBondContact O-N 3.43Å; L257-T1096 HydrophobicContact CD1-CG2 3.92Å; L257-T1096 WeakPolarHBondContact CD1-O 3.48Å; L257-L1099 HydrophobicContact CB-CB 4.27Å; L257-L1099 HydrophobicContact CD1-CB 3.72Å; L257-A1100 HydrophobicContact CD1-CB 4.08Å; L257-A1100 HydrophobicContact CD2-CB 4.49Å; L257-E1103 HydrophobicContact CD2-CB 4.26Å; L257-E1103 HydrophobicContact CD2-CG 4.42Å; L257-E1103 WeakPolarHBondContact CD2-OE2 3.45Å |
| 258 | N | 78.3 | Confident | 77.1 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 43% | 0.428 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177 | -76.1 | -17.5 | 0 | 0 | 0 | 111.1 | V254 K256 Y260 K261 E262 | V254-N258 WeakPolarHBondContact O-CB 3.41Å; V254-N258 PolarHBondContact O-N 3Å; K256-N258 PolarHBondContact O-N 3.05Å; N258-Y260 VanDerWaalsContact C-N 3.28Å; N258-Y260 PolarHBondContact O-N 3.42Å; N258-K261 PolarHBondContact O-N 2.94Å; N258-E262 PolarHBondContact O-N 3.14Å |
| 259 | R | 77.4 | Confident | 76.4 | Confident | 149 Ų | 149 | 73.7 Ų | 73.7 | 56% | 0.562 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.3 | -39.9 | 173.6 | -176.1 | 179 | 174.8 | 177.7 | -2.1 | 111.9 | E255 K256 R263 N1084 I1085 | E255-R259 WeakPolarHBondContact O-CB 3.38Å; E255-R259 PolarHBondContact O-N 3.38Å; E255-R259 VanDerWaalsContact O-N 3.17Å; K256-R259 WeakPolarHBondContact O-CB 3.3Å; K256-R259 PolarHBondContact O-N 2.95Å; R259-R263 WeakPolarHBondContact O-CB 3.4Å; R259-R263 PolarHBondContact O-N 3.3Å; R259-N1084 PolarHBondContact NH2-O 2.81Å; R259-I1085 HydrophobicContact CG-CD1 3.84Å |
| 260 | Y | 73 | Confident | 75.4 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 10% | 0.102 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.2 | -38.2 | 175.9 | -74.7 | -62.9 | 0 | 0 | 0 | 113.2 | K256 L257 N258 R263 Y264 I1085 L1087 L1092 E1095 L1099 | K256-Y260 HydrophobicContact CB-CD2 4.2Å; K256-Y260 HydrophobicContact CB-CE2 4.03Å; K256-Y260 WeakPolarHBondContact O-CD2 3.46Å; K256-Y260 PolarHBondContact O-N 3.06Å; L257-Y260 CarbonylContact O-C 3.51Å; L257-Y260 PolarHBondContact O-N 3.41Å; N258-Y260 VanDerWaalsContact C-N 3.28Å; N258-Y260 PolarHBondContact O-N 3.42Å; Y260-R263 PolarHBondContact O-N 2.99Å; Y260-Y264 WeakPolarHBondContact O-CA 3.38Å; Y260-Y264 WeakPolarHBondContact O-CB 3.29Å; Y260-Y264 PolarHBondContact O-N 3.5Å; Y260-I1085 HydrophobicContact CD1-CD1 4.3Å; Y260-I1085 HydrophobicContact CE1-CD1 4.32Å; Y260-I1085 HydrophobicContact CE1-CG2 3.64Å; Y260-L1087 HydrophobicContact CE1-CD1 3.93Å; Y260-L1087 HydrophobicContact CE1-CD2 4.23Å; Y260-L1087 WeakPolarHBondContact OH-CD1 3.08Å; Y260-L1092 HydrophobicContact CD1-CD1 3.55Å; Y260-L1092 HydrophobicContact CD1-CG 3.86Å; Y260-L1092 HydrophobicContact CE1-CD1 3.85Å; Y260-L1092 HydrophobicContact CE1-CG 4.47Å; Y260-E1095 HydrophobicContact CE2-CG 4Å; Y260-L1099 HydrophobicContact CD2-CD1 3.32Å; Y260-L1099 HydrophobicContact CE2-CD1 3.44Å; Y260-L1099 VanDerWaalsContact CE2-CD1 3.44Å; Y260-L1099 HydrophobicContact CG-CD1 4.49Å |
| 261 | K | 73.6 | Confident | 74.5 | Confident | 94 Ų | 94 | 69.8 Ų | 69.8 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 178.7 | -79.6 | 176.4 | 178.5 | 168.9 | 0 | 111.9 | L257 N258 R263 Y264 A265 T1096 | L257-K261 HydrophobicContact CG-CD 4.14Å; L257-K261 HydrophobicContact CG-CG 4.39Å; L257-K261 WeakPolarHBondContact O-CB 3.41Å; L257-K261 WeakPolarHBondContact O-CG 3.16Å; L257-K261 PolarHBondContact O-N 3.43Å; N258-K261 PolarHBondContact O-N 2.94Å; K261-R263 VanDerWaalsContact C-N 3.27Å; K261-R263 PolarHBondContact O-N 3.28Å; K261-Y264 PolarHBondContact O-N 3.05Å; K261-A265 PolarHBondContact O-N 2.96Å; K261-T1096 HydrophobicContact CG-CG2 4.17Å |
| 262 | E | 74.9 | Confident | 73.7 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.7 | -44.4 | 175.5 | -73.8 | 178.1 | 171.5 | 0 | 0 | 110.2 | N258 A265 E266 | N258-E262 PolarHBondContact O-N 3.14Å; E262-A265 PolarHBondContact O-N 3.16Å; E262-E266 PolarHBondContact O-N 3.29Å |
| 263 | R | 67.6 | Low | 72.9 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 179.6 | -168.2 | 46.3 | 150.1 | -145.4 | -15.6 | 113.7 | R259 Y260 K261 A265 E266 L267 C1082 D1083 I1085 | R259-R263 WeakPolarHBondContact O-CB 3.4Å; R259-R263 PolarHBondContact O-N 3.3Å; Y260-R263 PolarHBondContact O-N 2.99Å; K261-R263 VanDerWaalsContact C-N 3.27Å; K261-R263 PolarHBondContact O-N 3.28Å; R263-A265 VanDerWaalsContact C-N 3.31Å; R263-A265 PolarHBondContact O-N 3.1Å; R263-E266 IonicContact CZ-OE2 3.41Å; R263-E266 IonicContact NH1-OE2 2.69Å; R263-E266 PolarHBondContact NH1-OE2 3.25Å; R263-E266 PolarHBondContact O-N 3.48Å; R263-L267 HydrophobicContact CG-CD1 4Å; R263-L267 VanDerWaalsContact O-CB 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.49Å; R263-L267 PolarHBondContact O-N 2.65Å; R263-C1082 VanDerWaalsContact CZ-CA 3.46Å; R263-C1082 PolarHBondContact NE-O 3.29Å; R263-C1082 PolarHBondContact NH1-O 3.19Å; R263-C1082 PolarHBondContact NH2-O 2.9Å; R263-D1083 VanDerWaalsContact NH2-CA 3.34Å; R263-I1085 HydrophobicContact CB-CD1 4.09Å; R263-I1085 HydrophobicContact CG-CD1 3.93Å |
| 264 | Y | 69.4 | Low | 72 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 173.9 | -177.3 | -108.9 | 0 | 0 | 0 | 110.7 | Y260 K261 L267 T268 L1092 I1093 | Y260-Y264 WeakPolarHBondContact O-CA 3.38Å; Y260-Y264 WeakPolarHBondContact O-CB 3.29Å; Y260-Y264 PolarHBondContact O-N 3.5Å; K261-Y264 PolarHBondContact O-N 3.05Å; Y264-L267 PolarHBondContact O-N 3.48Å; Y264-T268 WeakPolarHBondContact O-CB 3.29Å; Y264-T268 PolarHBondContact O-N 2.94Å; Y264-T268 PolarHBondContact O-OG1 3.04Å; Y264-L1092 HydrophobicContact CD2-CD2 3.75Å; Y264-L1092 HydrophobicContact CG-CD2 4.18Å; Y264-I1093 HydrophobicContact CD2-CG1 4.15Å; Y264-I1093 HydrophobicContact CE2-CD1 3.84Å; Y264-I1093 HydrophobicContact CE2-CG1 3.31Å |
| 265 | A | 70.5 | Confident | 71.5 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K261 E262 R263 K269 | K261-A265 PolarHBondContact O-N 2.96Å; E262-A265 PolarHBondContact O-N 3.16Å; R263-A265 VanDerWaalsContact C-N 3.31Å; R263-A265 PolarHBondContact O-N 3.1Å; A265-K269 PolarHBondContact O-N 3.44Å |
| 266 | E | 69.9 | Low | 70.8 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 174.4 | -68.8 | 176.7 | 167.1 | 0 | 0 | 111.9 | E262 R263 T268 K269 L270 | E262-E266 PolarHBondContact O-N 3.29Å; R263-E266 IonicContact CZ-OE2 3.41Å; R263-E266 IonicContact NH1-OE2 2.69Å; R263-E266 PolarHBondContact NH1-OE2 3.25Å; R263-E266 PolarHBondContact O-N 3.48Å; E266-T268 PolarHBondContact O-N 3.21Å; E266-K269 PolarHBondContact O-N 3.06Å; E266-L270 WeakPolarHBondContact O-CD1 3.49Å; E266-L270 PolarHBondContact O-N 3.11Å; E266-L270 VanDerWaalsContact O-N 3.08Å |
| 267 | L | 65.6 | Low | 70.2 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.6 | -92.7 | 164.7 | 0 | 0 | 0 | 111.9 | R263 Y264 K269 L270 Q271 Q1079 L1092 | R263-L267 HydrophobicContact CG-CD1 4Å; R263-L267 VanDerWaalsContact O-CB 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.49Å; R263-L267 PolarHBondContact O-N 2.65Å; Y264-L267 PolarHBondContact O-N 3.48Å; L267-K269 VanDerWaalsContact C-N 3.26Å; L267-K269 PolarHBondContact O-N 3.05Å; L267-L270 PolarHBondContact O-N 3.38Å; L267-Q271 HydrophobicContact CD2-CG 4.46Å; L267-Q271 WeakPolarHBondContact O-CA 3.41Å; L267-Q271 WeakPolarHBondContact O-CB 3.24Å; L267-Q271 WeakPolarHBondContact O-CG 3.29Å; L267-Q271 PolarHBondContact O-N 3.14Å; L267-Q1079 HydrophobicContact CD2-CG 4.33Å; L267-L1092 HydrophobicContact CD1-CD1 4.28Å; L267-L1092 HydrophobicContact CD1-CD2 3.8Å |
| 268 | T | 68.3 | Low | 69.5 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | -178.7 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | Y264 E266 A272 | Y264-T268 WeakPolarHBondContact O-CB 3.29Å; Y264-T268 PolarHBondContact O-N 2.94Å; Y264-T268 PolarHBondContact O-OG1 3.04Å; E266-T268 PolarHBondContact O-N 3.21Å; T268-A272 WeakPolarHBondContact O-CB 3.17Å; T268-A272 PolarHBondContact O-N 2.87Å; T268-A272 VanDerWaalsContact O-N 3.09Å |
| 269 | K | 71 | Confident | 68.8 | Low | 159 Ų | 159 | 69.9 Ų | 69.9 | 69% | 0.691 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.7 | -41.1 | 179.5 | -156 | 177.9 | -177.8 | -175.4 | 0 | 111.6 | A265 E266 L267 | A265-K269 PolarHBondContact O-N 3.44Å; E266-K269 PolarHBondContact O-N 3.06Å; L267-K269 VanDerWaalsContact C-N 3.26Å; L267-K269 PolarHBondContact O-N 3.05Å |
| 270 | L | 67.1 | Low | 68 | Low | 24 Ų | 24 | 68.1 Ų | 68.1 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.1 | -40.4 | 176.6 | -80.4 | 151 | 0 | 0 | 0 | 112.8 | E266 L267 A272 E273 I274 N1078 Q1079 C1082 | E266-L270 WeakPolarHBondContact O-CD1 3.49Å; E266-L270 PolarHBondContact O-N 3.11Å; E266-L270 VanDerWaalsContact O-N 3.08Å; L267-L270 PolarHBondContact O-N 3.38Å; L270-A272 VanDerWaalsContact C-N 3.27Å; L270-A272 PolarHBondContact O-N 3.18Å; L270-E273 PolarHBondContact O-N 3.46Å; L270-I274 HydrophobicContact CB-CD1 4.4Å; L270-I274 VanDerWaalsContact O-CB 3.23Å; L270-I274 WeakPolarHBondContact O-CB 3.34Å; L270-I274 WeakPolarHBondContact O-CD1 3.46Å; L270-I274 VanDerWaalsContact O-CG1 3.28Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 2.84Å; L270-N1078 HydrophobicContact CD2-CB 3.82Å; L270-Q1079 HydrophobicContact CB-CB 4.01Å; L270-Q1079 HydrophobicContact CB-CG 3.92Å; L270-Q1079 HydrophobicContact CD1-CB 4.5Å; L270-Q1079 HydrophobicContact CD2-CB 4.04Å; L270-Q1079 HydrophobicContact CG-CB 4.4Å; L270-C1082 HydrophobicContact CD1-CB 3.59Å |
| 271 | Q | 65.7 | Low | 67.4 | Low | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -32.7 | 172.9 | -77.9 | 164.4 | 10.9 | 0 | 0 | 112 | L267 K275 D1089 | L267-Q271 HydrophobicContact CD2-CG 4.46Å; L267-Q271 WeakPolarHBondContact O-CA 3.41Å; L267-Q271 WeakPolarHBondContact O-CB 3.24Å; L267-Q271 WeakPolarHBondContact O-CG 3.29Å; L267-Q271 PolarHBondContact O-N 3.14Å; Q271-K275 WeakPolarHBondContact O-CB 3.27Å; Q271-K275 WeakPolarHBondContact O-CG 3.43Å; Q271-K275 PolarHBondContact O-N 3.4Å; Q271-D1089 VanDerWaalsContact CD-CG 3.43Å; Q271-D1089 WeakPolarHBondContact CG-OD2 3.37Å; Q271-D1089 PolarHBondContact NE2-OD1 2.92Å; Q271-D1089 PolarHBondContact NE2-OD2 2.94Å |
| 272 | A | 66.8 | Low | 66.8 | Low | 67 Ų | 67 | 67.2 Ų | 67.2 | 55% | 0.554 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T268 L270 | T268-A272 WeakPolarHBondContact O-CB 3.17Å; T268-A272 PolarHBondContact O-N 2.87Å; T268-A272 VanDerWaalsContact O-N 3.09Å; L270-A272 VanDerWaalsContact C-N 3.27Å; L270-A272 PolarHBondContact O-N 3.18Å |
| 273 | E | 67.9 | Low | 66.1 | Low | 104 Ų | 104 | 67.2 Ų | 67.2 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76.6 | -30.9 | 178.3 | -69.4 | 179.2 | 179.2 | 0 | 0 | 112.3 | L270 S276 C277 | L270-E273 PolarHBondContact O-N 3.46Å; E273-S276 WeakPolarHBondContact O-CB 3.12Å; E273-C277 PolarHBondContact O-N 3.3Å |
| 274 | I | 64.9 | Low | 65.7 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -82.9 | -38.8 | -179 | -74.3 | 163.8 | 0 | 0 | 0 | 112 | L270 S276 C277 E278 L1075 Q1079 | L270-I274 HydrophobicContact CB-CD1 4.4Å; L270-I274 VanDerWaalsContact O-CB 3.23Å; L270-I274 WeakPolarHBondContact O-CB 3.34Å; L270-I274 WeakPolarHBondContact O-CD1 3.46Å; L270-I274 VanDerWaalsContact O-CG1 3.28Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 2.84Å; I274-S276 PolarHBondContact O-N 3.41Å; I274-C277 CarbonylContact O-C 3.53Å; I274-C277 PolarHBondContact O-N 3.05Å; I274-E278 HydrophobicContact CG2-CB 4.46Å; I274-E278 HydrophobicContact CG2-CG 3.55Å; I274-E278 WeakPolarHBondContact CG2-OE1 3.14Å; I274-E278 WeakPolarHBondContact CG2-OE2 3.18Å; I274-E278 WeakPolarHBondContact O-CA 3.06Å; I274-E278 WeakPolarHBondContact O-CB 3.36Å; I274-E278 WeakPolarHBondContact O-CG 3.44Å; I274-E278 PolarHBondContact O-N 3.29Å; I274-L1075 HydrophobicContact CD1-CB 4.32Å; I274-L1075 WeakPolarHBondContact CD1-O 3.32Å; I274-L1075 HydrophobicContact CG1-CB 3.84Å; I274-Q1079 HydrophobicContact CD1-CB 3.14Å; I274-Q1079 HydrophobicContact CD1-CG 3.7Å |
| 275 | K | 69.1 | Low | 65.1 | Low | 120 Ų | 120 | 64.9 Ų | 64.9 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.5 | -33.2 | 169 | -76.9 | 176.3 | 179.3 | 173.2 | 0 | 111.6 | Q271 A279 | Q271-K275 WeakPolarHBondContact O-CB 3.27Å; Q271-K275 WeakPolarHBondContact O-CG 3.43Å; Q271-K275 PolarHBondContact O-N 3.4Å; K275-A279 WeakPolarHBondContact O-CB 3.39Å; K275-A279 PolarHBondContact O-N 2.88Å |
| 276 | S | 67.7 | Low | 64.5 | Low | 81 Ų | 81 | 66.9 Ų | 66.9 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.6 | -35.8 | 174.7 | -171.6 | 0 | 0 | 0 | 0 | 113.3 | E273 I274 | E273-S276 WeakPolarHBondContact O-CB 3.12Å; I274-S276 PolarHBondContact O-N 3.41Å |
| 277 | C | 67.8 | Low | 64 | Low | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.054 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -97.4 | -24.1 | -177 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | E273 I274 R281 T1072 L1075 | E273-C277 PolarHBondContact O-N 3.3Å; I274-C277 CarbonylContact O-C 3.53Å; I274-C277 PolarHBondContact O-N 3.05Å; C277-R281 VanDerWaalsContact O-CB 3.3Å; C277-R281 WeakPolarHBondContact O-CB 3.31Å; C277-R281 PolarHBondContact O-N 3.21Å; C277-T1072 HydrophobicContact CB-CG2 4.08Å; C277-T1072 WeakPolarHBondContact CB-OG1 3.18Å; C277-T1072 PolarHBondContact O-OG1 3.29Å; C277-T1072 VanDerWaalsContact O-OG1 3.06Å; C277-L1075 HydrophobicContact CB-CD1 4.23Å; C277-L1075 WeakPolarHBondContact SG-CD1 3.42Å |
| 278 | E | 62.6 | Low | 63.6 | Low | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -75.1 | -29.9 | 166.2 | -74.6 | -178.8 | 161 | 0 | 0 | 111.3 | I274 E280 R281 A282 T1072 | I274-E278 HydrophobicContact CG2-CB 4.46Å; I274-E278 HydrophobicContact CG2-CG 3.55Å; I274-E278 WeakPolarHBondContact CG2-OE1 3.14Å; I274-E278 WeakPolarHBondContact CG2-OE2 3.18Å; I274-E278 WeakPolarHBondContact O-CA 3.06Å; I274-E278 WeakPolarHBondContact O-CB 3.36Å; I274-E278 WeakPolarHBondContact O-CG 3.44Å; I274-E278 PolarHBondContact O-N 3.29Å; E278-E280 VanDerWaalsContact C-N 3.3Å; E278-E280 PolarHBondContact O-N 3.39Å; E278-R281 PolarHBondContact O-N 3.19Å; E278-A282 WeakPolarHBondContact O-CA 3.48Å; E278-A282 WeakPolarHBondContact O-CB 3.42Å; E278-A282 PolarHBondContact O-N 3.44Å; E278-T1072 HydrophobicContact CG-CG2 3.67Å |
| 279 | A | 65 | Low | 62.9 | Low | 65 Ų | 65 | 68.6 Ų | 68.6 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K275 H283 | K275-A279 WeakPolarHBondContact O-CB 3.39Å; K275-A279 PolarHBondContact O-N 2.88Å; A279-H283 WeakPolarHBondContact O-CB 3.46Å; A279-H283 PolarHBondContact O-N 3.39Å |
| 280 | E | 60.4 | Low | 62.1 | Low | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -77.8 | -38.3 | 176.5 | -74.9 | -177.5 | 159.4 | 0 | 0 | 112.7 | E278 L284 L1068 | E278-E280 VanDerWaalsContact C-N 3.3Å; E278-E280 PolarHBondContact O-N 3.39Å; E280-L284 PolarHBondContact O-N 3.46Å; E280-L1068 HydrophobicContact CB-CD1 4.07Å; E280-L1068 HydrophobicContact CB-CD2 3.85Å; E280-L1068 WeakPolarHBondContact O-CD1 3.12Å |
| 281 | R | 60.2 | Low | 61.6 | Low | 44 Ų | 44 | 65.3 Ų | 65.3 | 17% | 0.166 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.1 | -36 | 176.2 | -90.3 | -152.3 | -15.4 | -167.7 | 13.4 | 115.2 | C277 E278 H283 L284 T285 L1068 T1069 T1072 | C277-R281 VanDerWaalsContact O-CB 3.3Å; C277-R281 WeakPolarHBondContact O-CB 3.31Å; C277-R281 PolarHBondContact O-N 3.21Å; E278-R281 PolarHBondContact O-N 3.19Å; R281-H283 VanDerWaalsContact C-N 3.25Å; R281-L284 PolarHBondContact O-N 3.13Å; R281-T285 WeakPolarHBondContact O-CA 3.42Å; R281-T285 WeakPolarHBondContact O-CB 3.37Å; R281-T285 PolarHBondContact O-N 3.45Å; R281-T285 PolarHBondContact O-OG1 2.95Å; R281-L1068 HydrophobicContact CB-CB 4.46Å; R281-L1068 WeakPolarHBondContact CD-O 3.28Å; R281-L1068 VanDerWaalsContact CG-C 3.43Å; R281-L1068 HydrophobicContact CG-CB 3.33Å; R281-L1068 WeakPolarHBondContact CG-O 3.39Å; R281-T1069 PolarHBondContact NH1-O 3.48Å; R281-T1072 VanDerWaalsContact CD-CB 3.46Å; R281-T1072 WeakPolarHBondContact CD-OG1 3.34Å; R281-T1072 WeakPolarHBondContact CG-OG1 3.38Å; R281-T1072 VanDerWaalsContact CZ-CB 3.45Å; R281-T1072 VanDerWaalsContact NE-CB 3.34Å |
| 282 | A | 61.3 | Low | 61.1 | Low | 56 Ų | 56 | 65.5 Ų | 65.5 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | E278 L284 D286 | E278-A282 WeakPolarHBondContact O-CA 3.48Å; E278-A282 WeakPolarHBondContact O-CB 3.42Å; E278-A282 PolarHBondContact O-N 3.44Å; A282-L284 PolarHBondContact O-N 3.42Å; A282-D286 WeakPolarHBondContact O-CB 3.48Å; A282-D286 PolarHBondContact O-N 3.46Å |
| 283 | H | 59.7 | Low | 60.6 | Low | 142 Ų | 142 | 67.3 Ų | 67.3 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.2 | -31.7 | 177.8 | -155.7 | -45.5 | 0 | 0 | 0 | 113.5 | A279 R281 T287 | A279-H283 WeakPolarHBondContact O-CB 3.46Å; A279-H283 PolarHBondContact O-N 3.39Å; R281-H283 VanDerWaalsContact C-N 3.25Å; H283-T287 PolarHBondContact O-OG1 3.25Å |
| 284 | L | 58.5 | Low | 60.1 | Low | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -96.5 | -46.6 | 176 | -76 | 164.7 | 0 | 0 | 0 | 112.1 | E280 R281 A282 D286 T287 I288 Q1064 L1068 | E280-L284 PolarHBondContact O-N 3.46Å; R281-L284 PolarHBondContact O-N 3.13Å; A282-L284 PolarHBondContact O-N 3.42Å; L284-D286 PolarHBondContact O-N 3.44Å; L284-T287 CarbonylContact O-C 3.57Å; L284-T287 WeakPolarHBondContact O-CA 3.48Å; L284-T287 PolarHBondContact O-N 2.97Å; L284-I288 VanDerWaalsContact C-CD1 3.46Å; L284-I288 HydrophobicContact CB-CD1 3.88Å; L284-I288 HydrophobicContact CD2-CD1 4.39Å; L284-I288 WeakPolarHBondContact O-CD1 3.41Å; L284-I288 WeakPolarHBondContact O-CG1 3.23Å; L284-I288 PolarHBondContact O-N 3.4Å; L284-Q1064 HydrophobicContact CD1-CB 3.88Å; L284-Q1064 HydrophobicContact CD2-CB 3.6Å; L284-Q1064 HydrophobicContact CD2-CG 4.31Å; L284-Q1064 HydrophobicContact CG-CB 4.21Å; L284-L1068 HydrophobicContact CB-CD1 4.28Å; L284-L1068 HydrophobicContact CD1-CD1 3.32Å; L284-L1068 HydrophobicContact CG-CD1 4.29Å |
| 285 | T | 57.6 | Low | 59.6 | Low | 29 Ų | 29 | 65.2 Ų | 65.2 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 177.7 | -47.9 | 0 | 0 | 0 | 0 | 115.5 | R281 T287 I288 K289 L1065 | R281-T285 WeakPolarHBondContact O-CA 3.42Å; R281-T285 WeakPolarHBondContact O-CB 3.37Å; R281-T285 PolarHBondContact O-N 3.45Å; R281-T285 PolarHBondContact O-OG1 2.95Å; T285-T287 PolarHBondContact O-N 3.21Å; T285-I288 PolarHBondContact O-N 3.29Å; T285-I288 VanDerWaalsContact O-N 3.12Å; T285-K289 HydrophobicContact CG2-CB 3.98Å; T285-K289 HydrophobicContact CG2-CD 4.01Å; T285-K289 VanDerWaalsContact O-CB 3.24Å; T285-K289 WeakPolarHBondContact O-CB 3.38Å; T285-K289 PolarHBondContact O-N 3.21Å; T285-L1065 HydrophobicContact CG2-CD1 3.7Å; T285-L1065 VanDerWaalsContact OG1-CD1 3.24Å; T285-L1065 WeakPolarHBondContact OG1-CD1 3.32Å |
| 286 | D | 58.6 | Low | 59 | Low | 105 Ų | 105 | 64.8 Ų | 64.8 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.6 | -35 | 173 | -157.2 | 37.6 | 0 | 0 | 0 | 110.3 | A282 L284 I288 N290 | A282-D286 WeakPolarHBondContact O-CB 3.48Å; A282-D286 PolarHBondContact O-N 3.46Å; L284-D286 PolarHBondContact O-N 3.44Å; D286-I288 VanDerWaalsContact C-N 3.3Å; D286-I288 PolarHBondContact O-N 3.32Å; D286-N290 VanDerWaalsContact O-CB 3.24Å; D286-N290 WeakPolarHBondContact O-CB 3.15Å; D286-N290 VanDerWaalsContact O-CG 3.27Å; D286-N290 PolarHBondContact O-ND2 3.39Å; D286-N290 PolarHBondContact OD1-ND2 2.69Å |
| 287 | T | 57.7 | Low | 58.4 | Low | 68 Ų | 68 | 65.8 Ų | 65.8 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.1 | -18.2 | 174.8 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | H283 L284 T285 L291 L1061 | H283-T287 PolarHBondContact O-OG1 3.25Å; L284-T287 CarbonylContact O-C 3.57Å; L284-T287 WeakPolarHBondContact O-CA 3.48Å; L284-T287 PolarHBondContact O-N 2.97Å; T285-T287 PolarHBondContact O-N 3.21Å; T287-L291 VanDerWaalsContact O-CD1 3.25Å; T287-L291 WeakPolarHBondContact O-CD1 3.38Å; T287-L1061 HydrophobicContact CG2-CD1 4.2Å; T287-L1061 HydrophobicContact CG2-CD2 3.42Å; T287-L1061 VanDerWaalsContact CG2-CD2 3.42Å; T287-L1061 HydrophobicContact CG2-CG 4.46Å; T287-L1061 WeakPolarHBondContact O-CD1 3.12Å; T287-L1061 WeakPolarHBondContact O-CD2 3.3Å |
| 288 | I | 57 | Low | 57.9 | Low | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -115 | -39.8 | -166.9 | -55.3 | 160.3 | 0 | 0 | 0 | 114.2 | L284 T285 D286 L291 M292 L1061 R1062 Q1064 L1065 | L284-I288 VanDerWaalsContact C-CD1 3.46Å; L284-I288 HydrophobicContact CB-CD1 3.88Å; L284-I288 HydrophobicContact CD2-CD1 4.39Å; L284-I288 WeakPolarHBondContact O-CD1 3.41Å; L284-I288 WeakPolarHBondContact O-CG1 3.23Å; L284-I288 PolarHBondContact O-N 3.4Å; T285-I288 PolarHBondContact O-N 3.29Å; T285-I288 VanDerWaalsContact O-N 3.12Å; D286-I288 VanDerWaalsContact C-N 3.3Å; D286-I288 PolarHBondContact O-N 3.32Å; I288-L291 CarbonylContact O-C 3.51Å; I288-L291 PolarHBondContact O-N 3.41Å; I288-L291 VanDerWaalsContact O-N 3.16Å; I288-M292 PolarHBondContact O-N 3.45Å; I288-L1061 HydrophobicContact CB-CB 3.67Å; I288-L1061 HydrophobicContact CB-CD2 4.34Å; I288-L1061 HydrophobicContact CB-CG 4.43Å; I288-L1061 HydrophobicContact CD1-CB 4.32Å; I288-L1061 HydrophobicContact CD1-CD2 4.2Å; I288-L1061 WeakPolarHBondContact CD1-O 3.42Å; I288-L1061 VanDerWaalsContact CG1-CA 3.41Å; I288-L1061 HydrophobicContact CG1-CB 3.27Å; I288-L1061 HydrophobicContact CG1-CD2 3.3Å; I288-L1061 HydrophobicContact CG1-CG 3.76Å; I288-L1061 WeakPolarHBondContact CG1-O 3.11Å; I288-L1061 HydrophobicContact CG2-CB 3.74Å; I288-R1062 HydrophobicContact CG2-CB 4.31Å; I288-R1062 HydrophobicContact CG2-CG 4.14Å; I288-Q1064 HydrophobicContact CD1-CB 4.32Å; I288-L1065 HydrophobicContact CB-CD1 3.59Å; I288-L1065 HydrophobicContact CD1-CB 3.58Å; I288-L1065 HydrophobicContact CD1-CD1 3.6Å; I288-L1065 HydrophobicContact CD1-CG 4.22Å; I288-L1065 VanDerWaalsContact CD1-N 3.27Å; I288-L1065 HydrophobicContact CG1-CD1 4.07Å; I288-L1065 HydrophobicContact CG2-CB 4.36Å; I288-L1065 HydrophobicContact CG2-CD1 3.81Å |
| 289 | K | 54.6 | Low | 57.6 | Low | 121 Ų | 121 | 67.9 Ų | 67.9 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -81 | -28.2 | -178.4 | -167.3 | 178.4 | -178.8 | -178.4 | 0 | 111.8 | T285 L291 M292 L293 | T285-K289 HydrophobicContact CG2-CB 3.98Å; T285-K289 HydrophobicContact CG2-CD 4.01Å; T285-K289 VanDerWaalsContact O-CB 3.24Å; T285-K289 WeakPolarHBondContact O-CB 3.38Å; T285-K289 PolarHBondContact O-N 3.21Å; K289-L291 PolarHBondContact O-N 3Å; K289-M292 PolarHBondContact O-N 3.38Å; K289-L293 HydrophobicContact CD-CD1 4.15Å; K289-L293 VanDerWaalsContact CE-CD1 3.45Å; K289-L293 HydrophobicContact CG-CD1 3.59Å; K289-L293 HydrophobicContact CG-CG 4.08Å |
| 290 | N | 53.6 | Low | 57.4 | Low | 99 Ų | 99 | 73.9 Ų | 73.9 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.2 | -7.5 | 163.8 | -77.4 | -31.6 | 0 | 0 | 0 | 112.4 | D286 | D286-N290 VanDerWaalsContact O-CB 3.24Å; D286-N290 WeakPolarHBondContact O-CB 3.15Å; D286-N290 VanDerWaalsContact O-CG 3.27Å; D286-N290 PolarHBondContact O-ND2 3.39Å; D286-N290 PolarHBondContact OD1-ND2 2.69Å |
| 291 | L | 56.2 | Low | 57.4 | Low | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -125.9 | -21.1 | -179.9 | -66.5 | 159.3 | 0 | 0 | 0 | 115.1 | T287 I288 K289 D1054 Q1057 V1058 L1061 | T287-L291 VanDerWaalsContact O-CD1 3.25Å; T287-L291 WeakPolarHBondContact O-CD1 3.38Å; I288-L291 CarbonylContact O-C 3.51Å; I288-L291 PolarHBondContact O-N 3.41Å; I288-L291 VanDerWaalsContact O-N 3.16Å; K289-L291 PolarHBondContact O-N 3Å; L291-D1054 VanDerWaalsContact CA-OD2 3.3Å; L291-D1054 WeakPolarHBondContact CA-OD2 3.23Å; L291-D1054 CarbonylContact O-C 3.54Å; L291-D1054 WeakPolarHBondContact O-CA 3.36Å; L291-D1054 WeakPolarHBondContact O-CB 3.43Å; L291-Q1057 HydrophobicContact CB-CB 3.72Å; L291-Q1057 HydrophobicContact CB-CG 4.49Å; L291-Q1057 HydrophobicContact CD1-CB 3.25Å; L291-Q1057 HydrophobicContact CD1-CG 3.08Å; L291-Q1057 HydrophobicContact CD2-CB 3.39Å; L291-Q1057 HydrophobicContact CD2-CG 3.65Å; L291-Q1057 HydrophobicContact CG-CB 3.52Å; L291-Q1057 HydrophobicContact CG-CG 3.78Å; L291-V1058 HydrophobicContact CB-CG2 3.67Å; L291-V1058 VanDerWaalsContact CB-N 3.33Å; L291-V1058 WeakPolarHBondContact O-CG2 3.36Å; L291-L1061 HydrophobicContact CD1-CD1 3.25Å |
| 292 | M | 55.6 | Low | 57.7 | Low | 15 Ų | 15 | 70.2 Ų | 70.2 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -101.3 | -18.1 | -170.7 | -132.7 | 138.6 | 171 | 0 | 0 | 117.6 | I288 K289 N294 I295 V1058 R1062 | I288-M292 PolarHBondContact O-N 3.45Å; K289-M292 PolarHBondContact O-N 3.38Å; M292-N294 VanDerWaalsContact C-N 3.35Å; M292-I295 HydrophobicContact CG-CD1 3.97Å; M292-V1058 HydrophobicContact CB-CB 4.27Å; M292-V1058 HydrophobicContact CB-CG2 3.32Å; M292-V1058 HydrophobicContact CE-CB 3.91Å; M292-V1058 HydrophobicContact CE-CG1 2.96Å; M292-V1058 HydrophobicContact CE-CG2 4.46Å; M292-V1058 HydrophobicContact CG-CB 3.58Å; M292-V1058 HydrophobicContact CG-CG1 3.4Å; M292-V1058 HydrophobicContact CG-CG2 3.06Å; M292-V1058 WeakPolarHBondContact SD-CA 3.43Å; M292-V1058 HydrophobicContact SD-CB 3.35Å; M292-V1058 WeakPolarHBondContact SD-CB 3.47Å; M292-V1058 HydrophobicContact SD-CG1 3.13Å; M292-V1058 WeakPolarHBondContact SD-CG1 3.38Å; M292-V1058 HydrophobicContact SD-CG2 3.49Å; M292-V1058 WeakPolarHBondContact SD-CG2 3.4Å; M292-R1062 HydrophobicContact CE-CB 3.83Å; M292-R1062 HydrophobicContact CE-CG 3.75Å; M292-R1062 HydrophobicContact CG-CG 4.3Å; M292-R1062 VanDerWaalsContact CG-NH2 3.29Å; M292-R1062 HydrophobicContact SD-CB 3.43Å; M292-R1062 WeakPolarHBondContact SD-CB 3.29Å; M292-R1062 WeakPolarHBondContact SD-CD 3.16Å; M292-R1062 HydrophobicContact SD-CG 3.09Å; M292-R1062 WeakPolarHBondContact SD-CG 3.29Å; M292-R1062 PolarHBondContact SD-NE 3.47Å |
| 293 | L | 57.1 | Low | 57.7 | Low | 106 Ų | 106 | 73.2 Ų | 73.2 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -25 | -178.7 | -87.4 | 176.2 | 0 | 0 | 0 | 112.6 | K289 I295 | K289-L293 HydrophobicContact CD-CD1 4.15Å; K289-L293 VanDerWaalsContact CE-CD1 3.45Å; K289-L293 HydrophobicContact CG-CD1 3.59Å; K289-L293 HydrophobicContact CG-CG 4.08Å; L293-I295 PolarHBondContact O-N 3.21Å |
| 294 | N | 56.3 | Low | 57.7 | Low | 34 Ų | 34 | 73 Ų | 73 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.8 | 179.3 | -40.7 | -48.2 | 0 | 0 | 0 | 110.5 | M292 R1050 E1051 D1054 | M292-N294 VanDerWaalsContact C-N 3.35Å; N294-R1050 VanDerWaalsContact CB-C 3.41Å; N294-R1050 HydrophobicContact CB-CB 3.5Å; N294-R1050 HydrophobicContact CB-CG 3.4Å; N294-R1050 VanDerWaalsContact CB-O 3.27Å; N294-R1050 WeakPolarHBondContact CB-O 3.39Å; N294-R1050 VanDerWaalsContact CG-CD 3.42Å; N294-R1050 WeakPolarHBondContact ND2-CG 3.16Å; N294-R1050 CarbonylContact O-C 3.57Å; N294-R1050 VanDerWaalsContact O-C 3.26Å; N294-R1050 WeakPolarHBondContact OD1-CD 3.46Å; N294-E1051 WeakPolarHBondContact O-CA 3.32Å; N294-E1051 WeakPolarHBondContact O-CB 3.41Å; N294-E1051 WeakPolarHBondContact O-CG 3.44Å; N294-E1051 PolarHBondContact O-N 3.45Å; N294-D1054 WeakPolarHBondContact CA-OD2 3.49Å; N294-D1054 HydrophobicContact CB-CB 3.52Å; N294-D1054 WeakPolarHBondContact CB-OD1 3.36Å; N294-D1054 WeakPolarHBondContact CB-OD2 3.42Å; N294-D1054 PolarHBondContact N-OD2 3.46Å; N294-D1054 PolarHBondContact ND2-OD1 3.09Å; N294-D1054 PolarHBondContact ND2-OD2 3.07Å |
| 295 | I | 56 | Low | 58.2 | Low | 26 Ų | 26 | 76.4 Ų | 76.4 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | trans | -89.8 | 126.7 | -179.1 | -35.3 | 170.2 | 0 | 0 | 0 | 117.8 | M292 L293 E1051 D1054 C1055 V1058 | M292-I295 HydrophobicContact CG-CD1 3.97Å; L293-I295 PolarHBondContact O-N 3.21Å; I295-E1051 VanDerWaalsContact CA-CA 3.44Å; I295-E1051 VanDerWaalsContact CA-CB 3.43Å; I295-E1051 VanDerWaalsContact CA-CG 3.45Å; I295-E1051 HydrophobicContact CB-CB 4.47Å; I295-E1051 WeakPolarHBondContact CG1-O 3.28Å; I295-E1051 HydrophobicContact CG2-CB 4.4Å; I295-D1054 HydrophobicContact CD1-CB 4.44Å; I295-D1054 VanDerWaalsContact CG1-C 3.48Å; I295-D1054 HydrophobicContact CG1-CB 3.54Å; I295-C1055 HydrophobicContact CD1-CB 4.14Å; I295-C1055 VanDerWaalsContact CD1-N 3.32Å; I295-C1055 HydrophobicContact CG1-CB 4.37Å; I295-C1055 HydrophobicContact CG2-CB 4.49Å; I295-C1055 WeakPolarHBondContact CG2-SG 3.49Å; I295-V1058 HydrophobicContact CD1-CB 4.05Å; I295-V1058 HydrophobicContact CD1-CG1 3.35Å; I295-V1058 HydrophobicContact CD1-CG2 3.73Å | ||
| 296 | Q | 55.3 | Low | 58.6 | Low | 111 Ų | 111 | 75.5 Ų | 75.5 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -112 | -23.2 | 169.8 | -58.4 | 168.1 | 2.7 | 0 | 0 | 113.7 | E1051 | Q296-E1051 WeakPolarHBondContact CA-OE2 3.49Å; Q296-E1051 HydrophobicContact CB-CG 4.05Å; Q296-E1051 VanDerWaalsContact CB-OE1 3.32Å; Q296-E1051 WeakPolarHBondContact CB-OE1 3.48Å; Q296-E1051 WeakPolarHBondContact CB-OE2 3.37Å; Q296-E1051 VanDerWaalsContact CD-CD 3.5Å; Q296-E1051 HydrophobicContact CG-CG 3.96Å; Q296-E1051 WeakPolarHBondContact CG-OE1 3.28Å; Q296-E1051 PolarHBondContact N-OE2 3.46Å; Q296-E1051 PolarHBondContact NE2-OE1 2.73Å; Q296-E1051 VanDerWaalsContact NE2-OE1 3.16Å; Q296-E1051 PolarHBondContact OE1-OE1 2.92Å |
| 297 | N | 55.7 | Low | 59.1 | Low | 101 Ų | 101 | 77.6 Ų | 77.6 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -129.7 | 111.8 | 167.3 | -81.8 | -31.6 | 0 | 0 | 0 | 110.2 | Y299 R1048 | N297-Y299 PolarHBondContact O-N 3.41Å; N297-R1048 PolarHBondContact ND2-NH1 2.75Å |
| 298 | E | 56.4 | Low | 59.9 | Low | 90 Ų | 90 | 83.6 Ų | 83.6 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | trans | -69.7 | 104.2 | 179.4 | -156.9 | -177.8 | 173.4 | 0 | 0 | 109.8 | Q300 R1059 | E298-Q300 PolarHBondContact O-N 2.97Å; E298-R1059 IonicContact OE1-CZ 3.78Å; E298-R1059 IonicContact OE1-NE 2.97Å; E298-R1059 PolarHBondContact OE1-NE 3.04Å; E298-R1059 IonicContact OE1-NH2 3.68Å | ||
| 299 | Y | 57.8 | Low | 60.6 | Low | 44 Ų | 44 | 86.4 Ų | 86.4 | 17% | 0.173 | 42% | 0.42 | C | S | . | . | trans | -63.5 | 118.3 | -171 | -170.6 | -104.7 | 0 | 0 | 0 | 112.1 | N297 S302 E305 L306 L309 R1059 | N297-Y299 PolarHBondContact O-N 3.41Å; Y299-S302 WeakPolarHBondContact CE1-O 3.39Å; Y299-E305 HydrophobicContact CE1-CB 3.86Å; Y299-E305 VanDerWaalsContact CZ-C 3.47Å; Y299-E305 WeakPolarHBondContact OH-CA 3.4Å; Y299-E305 WeakPolarHBondContact OH-CB 3.35Å; Y299-E305 WeakPolarHBondContact OH-CG 3.25Å; Y299-E305 PolarHBondContact OH-O 3.42Å; Y299-E305 PolarHBondContact OH-OE2 3.34Å; Y299-L306 HydrophobicContact CD1-CB 3.6Å; Y299-L306 HydrophobicContact CD1-CD1 3.7Å; Y299-L306 HydrophobicContact CD1-CG 4.18Å; Y299-L306 HydrophobicContact CD2-CD1 4.39Å; Y299-L306 HydrophobicContact CE1-CB 3.76Å; Y299-L306 HydrophobicContact CG-CB 4.35Å; Y299-L306 HydrophobicContact CG-CD1 3.6Å; Y299-L309 HydrophobicContact CD2-CD1 3.75Å; Y299-L309 HydrophobicContact CE2-CD1 3.16Å; Y299-R1059 PolarHBondContact O-NH2 3.21Å | ||
| 300 | Q | 59.3 | Low | 61.3 | Low | 191 Ų | 191 | 83 Ų | 83 | 89% | 0.893 | 41% | 0.407 | S | S | * | . | trans | -93.7 | 1 | -177.8 | -64.2 | -156 | -7.2 | 0 | 0 | 114.3 | E298 | E298-Q300 PolarHBondContact O-N 2.97Š| ||
| 301 | G | 61.5 | Low | 62.3 | Low | 27 Ų | 27 | 84.9 Ų | 84.9 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -81 | -176.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E305 | G301-E305 WeakPolarHBondContact CA-OE2 3.4Š|
| 302 | S | 66.2 | Low | 63.3 | Low | 53 Ų | 53 | 89.5 Ų | 89.5 | 37% | 0.371 | 44% | 0.437 | S | S | . | . | trans | -70.6 | 160.7 | 176.8 | 87.6 | 0 | 0 | 0 | 0 | 111.9 | Y299 E304 E305 L306 | Y299-S302 WeakPolarHBondContact CE1-O 3.39Å; S302-E304 PolarHBondContact O-N 3.28Å; S302-E304 VanDerWaalsContact O-N 3.12Å; S302-E304 PolarHBondContact OG-N 3.45Å; S302-E304 PolarHBondContact OG-OE2 3.05Å; S302-E305 PolarHBondContact N-OE2 3.43Å; S302-E305 WeakPolarHBondContact O-CB 3.34Å; S302-E305 PolarHBondContact O-N 3.1Å; S302-L306 PolarHBondContact O-N 2.7Å | ||
| 303 | D | 61.6 | Low | 64 | Low | 118 Ų | 118 | 89.3 Ų | 89.3 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57 | -25 | 175.4 | -67.8 | -21.9 | 0 | 0 | 0 | 113.2 | ||
| 304 | E | 59.1 | Low | 64.9 | Low | 138 Ų | 138 | 88.7 Ų | 88.7 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -71.1 | -33.7 | 173.4 | -72.1 | 82.6 | -164 | 0 | 0 | 113.6 | S302 K307 | S302-E304 PolarHBondContact O-N 3.28Å; S302-E304 VanDerWaalsContact O-N 3.12Å; S302-E304 PolarHBondContact OG-N 3.45Å; S302-E304 PolarHBondContact OG-OE2 3.05Å; E304-K307 PolarHBondContact O-N 3.41Å |
| 305 | E | 68.3 | Low | 66 | Low | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82.3 | -30.5 | -169.1 | -140.5 | -178.2 | -139.3 | 0 | 0 | 108.5 | Y299 G301 S302 K307 | Y299-E305 HydrophobicContact CE1-CB 3.86Å; Y299-E305 VanDerWaalsContact CZ-C 3.47Å; Y299-E305 WeakPolarHBondContact OH-CA 3.4Å; Y299-E305 WeakPolarHBondContact OH-CB 3.35Å; Y299-E305 WeakPolarHBondContact OH-CG 3.25Å; Y299-E305 PolarHBondContact OH-O 3.42Å; Y299-E305 PolarHBondContact OH-OE2 3.34Å; G301-E305 WeakPolarHBondContact CA-OE2 3.4Å; S302-E305 PolarHBondContact N-OE2 3.43Å; S302-E305 WeakPolarHBondContact O-CB 3.34Å; S302-E305 PolarHBondContact O-N 3.1Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.06Å |
| 306 | L | 66.8 | Low | 66.9 | Low | 11 Ų | 11 | 93.2 Ų | 93.2 | 6% | 0.058 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63 | -32.8 | 167.2 | -173.1 | 64.3 | 0 | 0 | 0 | 113 | Y299 S302 I310 L1052 C1055 V1056 | Y299-L306 HydrophobicContact CD1-CB 3.6Å; Y299-L306 HydrophobicContact CD1-CD1 3.7Å; Y299-L306 HydrophobicContact CD1-CG 4.18Å; Y299-L306 HydrophobicContact CD2-CD1 4.39Å; Y299-L306 HydrophobicContact CE1-CB 3.76Å; Y299-L306 HydrophobicContact CG-CB 4.35Å; Y299-L306 HydrophobicContact CG-CD1 3.6Å; S302-L306 PolarHBondContact O-N 2.7Å; L306-I310 WeakPolarHBondContact O-CG1 3.23Å; L306-L1052 HydrophobicContact CD1-CB 4.21Å; L306-L1052 HydrophobicContact CD1-CD2 3.64Å; L306-C1055 HydrophobicContact CD1-CB 4.43Å; L306-V1056 HydrophobicContact CD2-CG2 3.46Å; L306-V1056 VanDerWaalsContact CD2-CG2 3.46Å |
| 307 | K | 69.2 | Low | 68 | Low | 148 Ų | 148 | 90.3 Ų | 90.3 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.9 | -40.3 | -178 | -77.3 | 177.4 | -179.8 | 171.8 | 0 | 113.9 | E304 E305 L309 I310 | E304-K307 PolarHBondContact O-N 3.41Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.06Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.01Å; K307-I310 WeakPolarHBondContact O-CB 3.43Å; K307-I310 PolarHBondContact O-N 3.46Å |
| 308 | R | 74.5 | Confident | 69.1 | Low | 194 Ų | 194 | 92.3 Ų | 92.3 | 73% | 0.732 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.3 | -35.1 | 178.9 | -73.9 | -174.5 | -178.1 | 176.5 | 2 | 112.6 | I310 E311 D312 | R308-I310 PolarHBondContact O-N 3.44Å; R308-E311 PolarHBondContact O-N 3.41Å; R308-D312 PolarHBondContact O-N 3.22Å |
| 309 | L | 70.9 | Confident | 70.4 | Confident | 61 Ų | 61 | 93.9 Ų | 93.9 | 32% | 0.319 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.2 | -25.1 | 177 | -86.5 | 156.1 | 0 | 0 | 0 | 113.6 | Y299 K307 A313 L1052 | Y299-L309 HydrophobicContact CD2-CD1 3.75Å; Y299-L309 HydrophobicContact CE2-CD1 3.16Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.01Å; L309-A313 WeakPolarHBondContact O-CB 3.39Å; L309-A313 PolarHBondContact O-N 3.43Å; L309-L1052 HydrophobicContact CB-CD1 3.9Å; L309-L1052 HydrophobicContact CB-CD2 4.22Å; L309-L1052 WeakPolarHBondContact O-CD1 3.31Å |
| 310 | I | 70.9 | Confident | 71.4 | Confident | 49 Ų | 49 | 94.1 Ų | 94.1 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.7 | -42.6 | 176.1 | -66.4 | 167.8 | 0 | 0 | 0 | 110.5 | L306 K307 R308 A313 E314 L1052 | L306-I310 WeakPolarHBondContact O-CG1 3.23Å; K307-I310 WeakPolarHBondContact O-CB 3.43Å; K307-I310 PolarHBondContact O-N 3.46Å; R308-I310 PolarHBondContact O-N 3.44Å; I310-A313 PolarHBondContact O-N 3.07Å; I310-E314 PolarHBondContact O-N 3.24Å; I310-L1052 HydrophobicContact CD1-CB 4.18Å; I310-L1052 HydrophobicContact CG1-CB 3.57Å; I310-L1052 HydrophobicContact CG1-CD1 4.06Å; I310-L1052 HydrophobicContact CG1-CG 4.44Å |
| 311 | E | 74.2 | Confident | 72.5 | Confident | 140 Ų | 140 | 87.8 Ų | 87.8 | 65% | 0.654 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | -179.7 | -72.5 | 178.7 | 168.9 | 0 | 0 | 112.4 | R308 A313 E314 | R308-E311 PolarHBondContact O-N 3.41Å; E311-A313 VanDerWaalsContact C-N 3.31Å; E311-A313 PolarHBondContact O-N 3.1Å; E311-E314 PolarHBondContact O-N 3.34Å |
| 312 | D | 77.6 | Confident | 73.6 | Confident | 111 Ų | 111 | 93.8 Ų | 93.8 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.9 | -35.1 | 179.3 | -72.5 | -24.5 | 0 | 0 | 0 | 112.4 | R308 E314 T315 | R308-D312 PolarHBondContact O-N 3.22Å; D312-E314 VanDerWaalsContact C-N 3.31Å; D312-E314 PolarHBondContact O-N 3.4Å; D312-T315 PolarHBondContact O-OG1 2.89Å; D312-T315 VanDerWaalsContact O-OG1 3.04Å |
| 313 | A | 70.3 | Confident | 74.5 | Confident | 11 Ų | 11 | 95.1 Ų | 95.1 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.5 | -27.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L309 I310 E311 Q1049 | L309-A313 WeakPolarHBondContact O-CB 3.39Å; L309-A313 PolarHBondContact O-N 3.43Å; I310-A313 PolarHBondContact O-N 3.07Å; E311-A313 VanDerWaalsContact C-N 3.31Å; E311-A313 PolarHBondContact O-N 3.1Å; A313-Q1049 HydrophobicContact CB-CB 4.39Å |
| 314 | E | 74.4 | Confident | 75.5 | Confident | 93 Ų | 93 | 90.6 Ų | 90.6 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 178.2 | -77.5 | 179.6 | 170.6 | 0 | 0 | 112.6 | I310 E311 D312 E316 Y317 Q1049 | I310-E314 PolarHBondContact O-N 3.24Å; E311-E314 PolarHBondContact O-N 3.34Å; D312-E314 VanDerWaalsContact C-N 3.31Å; D312-E314 PolarHBondContact O-N 3.4Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 3.45Å; E314-Y317 PolarHBondContact O-N 3.11Å; E314-Q1049 HydrophobicContact CG-CG 4.31Å; E314-Q1049 PolarHBondContact OE1-NE2 3.47Å |
| 315 | T | 79.2 | Confident | 76.7 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -32.5 | -178.4 | 13.7 | 0 | 0 | 0 | 0 | 114.9 | D312 | D312-T315 PolarHBondContact O-OG1 2.89Å; D312-T315 VanDerWaalsContact O-OG1 3.04Å |
| 316 | E | 76.8 | Confident | 77.6 | Confident | 74 Ų | 74 | 89.7 Ų | 89.7 | 35% | 0.346 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -81.9 | -28.8 | -179.5 | -77.8 | -63.6 | 128.7 | 0 | 0 | 113 | E314 E318 K319 | E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 3.45Å; E316-E318 PolarHBondContact O-N 3.21Å; E316-K319 IonicContact OE1-NZ 2.79Å; E316-K319 PolarHBondContact OE1-NZ 3.43Å |
| 317 | Y | 77.4 | Confident | 78.3 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.6 | 175.4 | -115.1 | 0 | 0 | 0 | 112.2 | E314 K319 K320 I321 V1042 H1045 K1046 | E314-Y317 PolarHBondContact O-N 3.11Å; Y317-K319 PolarHBondContact O-N 3.16Å; Y317-K320 PolarHBondContact O-N 3.27Å; Y317-I321 HydrophobicContact CD1-CD1 4.19Å; Y317-I321 HydrophobicContact CE1-CD1 3.62Å; Y317-I321 HydrophobicContact CE2-CD1 3.96Å; Y317-I321 HydrophobicContact CE2-CG1 4.31Å; Y317-I321 PolarHBondContact O-N 3.45Å; Y317-V1042 HydrophobicContact CE2-CG1 3.93Å; Y317-H1045 HydrophobicContact CD2-CB 4.5Å; Y317-K1046 HydrophobicContact CD2-CB 4.06Å; Y317-K1046 HydrophobicContact CE2-CB 3.64Å; Y317-K1046 HydrophobicContact CE2-CD 4.03Å; Y317-K1046 HydrophobicContact CE2-CG 3.93Å |
| 318 | E | 79 | Confident | 79 | Confident | 142 Ų | 142 | 86.9 Ų | 86.9 | 66% | 0.664 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | -177.7 | -67.3 | -172 | 156.6 | 0 | 0 | 113.4 | E316 K320 I321 | E316-E318 PolarHBondContact O-N 3.21Å; E318-K320 VanDerWaalsContact C-N 3.31Å; E318-K320 PolarHBondContact O-N 3.47Å; E318-I321 PolarHBondContact O-N 3.47Å |
| 319 | K | 82.5 | Confident | 79.5 | Confident | 124 Ų | 124 | 82.3 Ų | 82.3 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 179.5 | -66.8 | 177.1 | -168.2 | 159.7 | 0 | 112.5 | E316 Y317 | E316-K319 IonicContact OE1-NZ 2.79Å; E316-K319 PolarHBondContact OE1-NZ 3.43Å; Y317-K319 PolarHBondContact O-N 3.16Å |
| 320 | K | 79.5 | Confident | 80.3 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 21% | 0.213 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -74 | -34.6 | -176.8 | -68.2 | -68.9 | -174 | 175 | 0 | 112.9 | Y317 E318 F322 L323 L324 Q1041 V1042 | Y317-K320 PolarHBondContact O-N 3.27Å; E318-K320 VanDerWaalsContact C-N 3.31Å; E318-K320 PolarHBondContact O-N 3.47Å; K320-F322 VanDerWaalsContact C-N 3.33Å; K320-F322 PolarHBondContact O-N 3.3Å; K320-L323 PolarHBondContact O-N 3.42Å; K320-L324 PolarHBondContact O-N 3.47Å; K320-Q1041 HydrophobicContact CD-CB 4.45Å; K320-V1042 HydrophobicContact CB-CG2 3.69Å |
| 321 | I | 81.9 | Confident | 81 | Confident | 57 Ų | 57 | 82.1 Ų | 82.1 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 173.6 | -71.6 | 178.9 | 0 | 0 | 0 | 111.6 | Y317 E318 L323 L324 N325 V1042 | Y317-I321 HydrophobicContact CD1-CD1 4.19Å; Y317-I321 HydrophobicContact CE1-CD1 3.62Å; Y317-I321 HydrophobicContact CE2-CD1 3.96Å; Y317-I321 HydrophobicContact CE2-CG1 4.31Å; Y317-I321 PolarHBondContact O-N 3.45Å; E318-I321 PolarHBondContact O-N 3.47Å; I321-L323 VanDerWaalsContact C-N 3.32Å; I321-L323 PolarHBondContact O-N 3.07Å; I321-L324 PolarHBondContact O-N 3.33Å; I321-N325 PolarHBondContact O-N 3.39Å; I321-V1042 HydrophobicContact CG1-CG1 4.19Å |
| 322 | F | 84.5 | Confident | 81.5 | Confident | 154 Ų | 154 | 80.6 Ų | 80.6 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | -179 | 178 | -98.5 | 0 | 0 | 0 | 112.7 | K320 | K320-F322 VanDerWaalsContact C-N 3.33Å; K320-F322 PolarHBondContact O-N 3.3Å |
| 323 | L | 84.9 | Confident | 81.9 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 178.4 | -70.7 | 169.9 | 0 | 0 | 0 | 112.9 | K320 I321 K326 S327 L1038 | K320-L323 PolarHBondContact O-N 3.42Å; I321-L323 VanDerWaalsContact C-N 3.32Å; I321-L323 PolarHBondContact O-N 3.07Å; L323-K326 PolarHBondContact O-N 2.72Å; L323-S327 PolarHBondContact O-N 3.27Å; L323-L1038 HydrophobicContact CB-CD2 4.22Å |
| 324 | L | 84.1 | Confident | 82.7 | Confident | 22 Ų | 22 | 82.3 Ų | 82.3 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 177.5 | 175.9 | 62.4 | 0 | 0 | 0 | 111.7 | K320 I321 K326 S327 E328 I1035 L1038 K1039 V1042 | K320-L324 PolarHBondContact O-N 3.47Å; I321-L324 PolarHBondContact O-N 3.33Å; L324-K326 PolarHBondContact O-N 3.17Å; L324-S327 PolarHBondContact O-N 3.42Å; L324-S327 VanDerWaalsContact O-N 3.13Å; L324-E328 HydrophobicContact CD1-CG 4.17Å; L324-E328 HydrophobicContact CG-CG 4.48Å; L324-E328 PolarHBondContact O-N 3.09Å; L324-I1035 HydrophobicContact CD1-CG2 4.24Å; L324-L1038 HydrophobicContact CD1-CB 4.07Å; L324-K1039 HydrophobicContact CD1-CD 4.49Å; L324-K1039 HydrophobicContact CD1-CG 3.66Å; L324-K1039 HydrophobicContact CD2-CG 4.16Å; L324-V1042 HydrophobicContact CD2-CG2 4.42Å |
| 325 | N | 84.3 | Confident | 83.1 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.1 | -33.3 | -179.4 | -72.2 | -21.9 | 0 | 0 | 0 | 112.8 | I321 N329 | I321-N325 PolarHBondContact O-N 3.39Å; N325-N329 PolarHBondContact O-ND2 3.13Å |
| 326 | K | 85.8 | Confident | 83.4 | Confident | 145 Ų | 145 | 87.6 Ų | 87.6 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.5 | -42.4 | 176.6 | -174.2 | 179.7 | 177.1 | -177.9 | 0 | 111.8 | L323 L324 | L323-K326 PolarHBondContact O-N 2.72Å; L324-K326 PolarHBondContact O-N 3.17Å |
| 327 | S | 82.8 | Confident | 83.8 | Confident | 27 Ų | 27 | 88 Ų | 88 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.1 | -38.1 | -179.2 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | L323 L324 N329 I330 L331 L1038 | L323-S327 PolarHBondContact O-N 3.27Å; L324-S327 PolarHBondContact O-N 3.42Å; L324-S327 VanDerWaalsContact O-N 3.13Å; S327-N329 VanDerWaalsContact C-N 3.28Å; S327-N329 PolarHBondContact O-N 2.7Å; S327-I330 PolarHBondContact O-N 3.1Å; S327-I330 VanDerWaalsContact O-N 3.09Å; S327-L331 PolarHBondContact O-N 3.12Å; S327-L1038 WeakPolarHBondContact OG-CD1 3.37Å |
| 328 | E | 83.6 | Confident | 84.2 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 177.7 | -72.6 | -171.5 | 146.7 | 0 | 0 | 113.1 | L324 I330 L331 Q332 I1035 K1039 | L324-E328 HydrophobicContact CD1-CG 4.17Å; L324-E328 HydrophobicContact CG-CG 4.48Å; L324-E328 PolarHBondContact O-N 3.09Å; E328-I330 PolarHBondContact O-N 3.35Å; E328-L331 PolarHBondContact O-N 3.4Å; E328-Q332 PolarHBondContact O-N 3.26Å; E328-I1035 HydrophobicContact CG-CD1 4.27Å; E328-I1035 HydrophobicContact CG-CG1 4.39Å; E328-I1035 HydrophobicContact CG-CG2 4.3Å; E328-K1039 WeakPolarHBondContact OE1-CE 3.48Å; E328-K1039 IonicContact OE1-NZ 3.56Å; E328-K1039 PolarHBondContact OE1-NZ 3.36Å |
| 329 | N | 85.2 | Confident | 84.4 | Confident | 99 Ų | 99 | 83 Ų | 83 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.7 | -35.9 | 174.9 | -84.7 | -47.2 | 0 | 0 | 0 | 113.3 | N325 S327 N333 | N325-N329 PolarHBondContact O-ND2 3.13Å; S327-N329 VanDerWaalsContact C-N 3.28Å; S327-N329 PolarHBondContact O-N 2.7Å; N329-N333 PolarHBondContact O-N 3.14Å |
| 330 | I | 86.8 | Confident | 84.5 | Confident | 90 Ų | 90 | 81 Ų | 81 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 179.6 | -62.6 | 172.9 | 0 | 0 | 0 | 110.5 | S327 E328 Q332 N333 K334 | S327-I330 PolarHBondContact O-N 3.1Å; S327-I330 VanDerWaalsContact O-N 3.09Å; E328-I330 PolarHBondContact O-N 3.35Å; I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 3.23Å; I330-N333 PolarHBondContact O-N 3.27Å; I330-K334 PolarHBondContact O-N 3.27Å |
| 331 | L | 86.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 80 Ų | 80 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 177 | 178.7 | 67.3 | 0 | 0 | 0 | 112 | S327 E328 N333 K334 R335 C1031 I1035 | S327-L331 PolarHBondContact O-N 3.12Å; E328-L331 PolarHBondContact O-N 3.4Å; L331-N333 VanDerWaalsContact C-N 3.27Å; L331-N333 PolarHBondContact O-N 3.37Å; L331-K334 PolarHBondContact O-N 3.16Å; L331-R335 HydrophobicContact CD1-CG 4.35Å; L331-R335 HydrophobicContact CG-CG 4.41Å; L331-R335 WeakPolarHBondContact O-CG 3.38Å; L331-R335 PolarHBondContact O-N 3.44Å; L331-C1031 HydrophobicContact CD1-CB 4.28Å; L331-I1035 HydrophobicContact CB-CD1 3.48Å; L331-I1035 VanDerWaalsContact CB-CD1 3.48Å; L331-I1035 HydrophobicContact CD2-CD1 3.49Å; L331-I1035 VanDerWaalsContact CD2-CD1 3.49Å; L331-I1035 HydrophobicContact CG-CD1 4.07Å |
| 332 | Q | 85.5 | Confident | 84.9 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 178.4 | -165.6 | -179.4 | 11 | 0 | 0 | 112.2 | E328 I330 K336 | E328-Q332 PolarHBondContact O-N 3.26Å; I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 3.23Å; Q332-K336 PolarHBondContact O-N 2.68Å |
| 333 | N | 85.8 | Confident | 84.8 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69.3 | -43.3 | 176.3 | -71.7 | -23.4 | 0 | 0 | 0 | 112 | N329 I330 L331 R335 K336 E337 | N329-N333 PolarHBondContact O-N 3.14Å; I330-N333 PolarHBondContact O-N 3.27Å; L331-N333 VanDerWaalsContact C-N 3.27Å; L331-N333 PolarHBondContact O-N 3.37Å; N333-R335 PolarHBondContact O-N 3.1Å; N333-K336 PolarHBondContact O-N 3.48Å; N333-E337 PolarHBondContact O-N 3.38Å |
| 334 | K | 85.7 | Confident | 84.6 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 177.9 | -72.5 | -74 | 166.1 | -172.9 | 0 | 113.4 | I330 L331 E337 L338 V1024 E1027 A1028 | I330-K334 PolarHBondContact O-N 3.27Å; L331-K334 PolarHBondContact O-N 3.16Å; K334-E337 IonicContact NZ-OE2 2.67Å; K334-E337 PolarHBondContact NZ-OE2 3.17Å; K334-E337 WeakPolarHBondContact O-CB 3.42Å; K334-E337 PolarHBondContact O-N 3.32Å; K334-L338 PolarHBondContact O-N 3.23Å; K334-V1024 HydrophobicContact CD-CG1 4.45Å; K334-E1027 VanDerWaalsContact CE-OE2 3.23Å; K334-E1027 WeakPolarHBondContact CE-OE2 3.32Å; K334-E1027 IonicContact NZ-OE2 2.82Å; K334-E1027 PolarHBondContact NZ-OE2 3.5Å; K334-A1028 HydrophobicContact CB-CB 4.45Å |
| 335 | R | 84.5 | Confident | 84.6 | Confident | 155 Ų | 155 | 79 Ų | 79 | 59% | 0.585 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 173.2 | -76.7 | -178.6 | 174.5 | -175.4 | -1.5 | 113.4 | L331 N333 E337 S339 | L331-R335 HydrophobicContact CD1-CG 4.35Å; L331-R335 HydrophobicContact CG-CG 4.41Å; L331-R335 WeakPolarHBondContact O-CG 3.38Å; L331-R335 PolarHBondContact O-N 3.44Å; N333-R335 PolarHBondContact O-N 3.1Å; R335-E337 VanDerWaalsContact C-N 3.35Å; R335-S339 PolarHBondContact O-N 3.4Å; R335-S339 VanDerWaalsContact O-N 3.14Å |
| 336 | K | 84.1 | Confident | 84.3 | Confident | 130 Ų | 130 | 79 Ų | 79 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 173.8 | -71.9 | 177.1 | -179 | 175.9 | 0 | 111.2 | Q332 N333 S339 T340 | Q332-K336 PolarHBondContact O-N 2.68Å; N333-K336 PolarHBondContact O-N 3.48Å; K336-S339 PolarHBondContact O-N 3.38Å; K336-T340 PolarHBondContact O-N 3.17Å |
| 337 | E | 86.1 | Confident | 84.2 | Confident | 84 Ų | 84 | 78 Ų | 78 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 176.7 | -166.4 | 172.8 | -165.7 | 0 | 0 | 111.8 | N333 K334 R335 S339 T340 L341 V1024 | N333-E337 PolarHBondContact O-N 3.38Å; K334-E337 IonicContact NZ-OE2 2.67Å; K334-E337 PolarHBondContact NZ-OE2 3.17Å; K334-E337 WeakPolarHBondContact O-CB 3.42Å; K334-E337 PolarHBondContact O-N 3.32Å; R335-E337 VanDerWaalsContact C-N 3.35Å; E337-S339 PolarHBondContact O-N 3.48Å; E337-T340 PolarHBondContact O-N 2.9Å; E337-T340 PolarHBondContact O-OG1 3.35Å; E337-L341 PolarHBondContact O-N 3.13Å; E337-V1024 HydrophobicContact CB-CG1 4.3Å; E337-V1024 HydrophobicContact CG-CG1 4.17Å |
| 338 | L | 85.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -54.5 | -48.6 | 173.9 | -103.4 | 155.6 | 0 | 0 | 0 | 113.2 | K334 T340 L341 E342 L1021 V1024 K1025 A1028 | K334-L338 PolarHBondContact O-N 3.23Å; L338-T340 VanDerWaalsContact C-N 3.28Å; L338-T340 PolarHBondContact O-N 2.79Å; L338-L341 PolarHBondContact O-N 3.41Å; L338-L341 VanDerWaalsContact O-N 3.16Å; L338-E342 WeakPolarHBondContact O-CG 3.44Å; L338-E342 PolarHBondContact O-N 3.47Å; L338-L1021 HydrophobicContact CD2-CD2 4.37Å; L338-V1024 HydrophobicContact CD1-CG1 4.49Å; L338-V1024 HydrophobicContact CG-CG1 4.03Å; L338-K1025 HydrophobicContact CD2-CB 4.33Å; L338-A1028 HydrophobicContact CD1-CB 3.6Å |
| 339 | S | 83 | Confident | 84 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | -179.9 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | R335 K336 E337 T343 | R335-S339 PolarHBondContact O-N 3.4Å; R335-S339 VanDerWaalsContact O-N 3.14Å; K336-S339 PolarHBondContact O-N 3.38Å; E337-S339 PolarHBondContact O-N 3.48Å; S339-T343 WeakPolarHBondContact O-CB 2.85Å; S339-T343 PolarHBondContact O-N 3.41Å; S339-T343 VanDerWaalsContact O-N 3.13Å; S339-T343 PolarHBondContact O-OG1 3.31Å |
| 340 | T | 84.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | K336 E337 L338 N344 | K336-T340 PolarHBondContact O-N 3.17Å; E337-T340 PolarHBondContact O-N 2.9Å; E337-T340 PolarHBondContact O-OG1 3.35Å; L338-T340 VanDerWaalsContact C-N 3.28Å; L338-T340 PolarHBondContact O-N 2.79Å; T340-N344 PolarHBondContact O-N 3.17Å |
| 341 | L | 87.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 77.6 Ų | 77.6 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 177.7 | -71.7 | 172.3 | 0 | 0 | 0 | 112.4 | E337 L338 T343 N344 Q345 V1024 | E337-L341 PolarHBondContact O-N 3.13Å; L338-L341 PolarHBondContact O-N 3.41Å; L338-L341 VanDerWaalsContact O-N 3.16Å; L341-T343 VanDerWaalsContact C-N 3.32Å; L341-T343 PolarHBondContact O-N 2.91Å; L341-N344 PolarHBondContact O-N 3.32Å; L341-Q345 PolarHBondContact O-N 2.99Å; L341-V1024 HydrophobicContact CD1-CB 4.37Å; L341-V1024 HydrophobicContact CD1-CG2 3.89Å |
| 342 | E | 82 | Confident | 83.2 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.4 | -73.7 | 175.6 | 162.6 | 0 | 0 | 112 | L338 N344 Q345 T346 L1021 | L338-E342 WeakPolarHBondContact O-CG 3.44Å; L338-E342 PolarHBondContact O-N 3.47Å; E342-N344 VanDerWaalsContact C-N 3.33Å; E342-N344 PolarHBondContact O-N 3.5Å; E342-Q345 PolarHBondContact O-N 3.22Å; E342-T346 PolarHBondContact O-N 3.02Å; E342-T346 PolarHBondContact O-OG1 3.39Å; E342-L1021 HydrophobicContact CG-CD1 4.15Å |
| 343 | T | 82 | Confident | 82.7 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 43% | 0.429 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 176.3 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | S339 L341 K347 | S339-T343 WeakPolarHBondContact O-CB 2.85Å; S339-T343 PolarHBondContact O-N 3.41Å; S339-T343 VanDerWaalsContact O-N 3.13Å; S339-T343 PolarHBondContact O-OG1 3.31Å; L341-T343 VanDerWaalsContact C-N 3.32Å; L341-T343 PolarHBondContact O-N 2.91Å; T343-K347 WeakPolarHBondContact O-CG 3.4Å; T343-K347 PolarHBondContact O-N 3.45Å |
| 344 | N | 82.5 | Confident | 82.4 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | 176.5 | -71 | -18.6 | 0 | 0 | 0 | 112.1 | T340 L341 E342 T346 K347 T348 L1017 | T340-N344 PolarHBondContact O-N 3.17Å; L341-N344 PolarHBondContact O-N 3.32Å; E342-N344 VanDerWaalsContact C-N 3.33Å; E342-N344 PolarHBondContact O-N 3.5Å; N344-T346 VanDerWaalsContact C-N 3.32Å; N344-T346 PolarHBondContact O-N 2.82Å; N344-K347 PolarHBondContact O-N 3.19Å; N344-T348 PolarHBondContact O-N 3.38Å; N344-T348 VanDerWaalsContact O-N 3.12Å; N344-T348 PolarHBondContact O-OG1 3.05Å; N344-L1017 HydrophobicContact CB-CD2 4.28Å |
| 345 | Q | 82.7 | Confident | 82.1 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.1 | -173.4 | -175.7 | 36.9 | 0 | 0 | 111.8 | L341 E342 K347 T348 I349 L1021 | L341-Q345 PolarHBondContact O-N 2.99Å; E342-Q345 PolarHBondContact O-N 3.22Å; Q345-K347 VanDerWaalsContact C-N 3.3Å; Q345-K347 PolarHBondContact O-N 2.94Å; Q345-T348 PolarHBondContact O-N 3.22Å; Q345-I349 HydrophobicContact CG-CD1 3.88Å; Q345-I349 HydrophobicContact CG-CG1 4.44Å; Q345-I349 WeakPolarHBondContact O-CG1 3.48Å; Q345-I349 PolarHBondContact O-N 2.91Å; Q345-L1021 HydrophobicContact CB-CD1 4.15Å |
| 346 | T | 78.3 | Confident | 81.7 | Confident | 85 Ų | 85 | 72 Ų | 72 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 178.6 | -51 | 0 | 0 | 0 | 0 | 111.1 | E342 N344 V350 | E342-T346 PolarHBondContact O-N 3.02Å; E342-T346 PolarHBondContact O-OG1 3.39Å; N344-T346 VanDerWaalsContact C-N 3.32Å; N344-T346 PolarHBondContact O-N 2.82Å; T346-V350 VanDerWaalsContact O-CG2 3.32Å; T346-V350 WeakPolarHBondContact O-CG2 3.4Å; T346-V350 PolarHBondContact O-N 3.37Å |
| 347 | K | 82.7 | Confident | 81.4 | Confident | 125 Ų | 125 | 70.5 Ų | 70.5 | 54% | 0.543 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 175.3 | -69.7 | 173.8 | -178.9 | 177.1 | 0 | 112.1 | T343 N344 Q345 I349 V350 E351 | T343-K347 WeakPolarHBondContact O-CG 3.4Å; T343-K347 PolarHBondContact O-N 3.45Å; N344-K347 PolarHBondContact O-N 3.19Å; Q345-K347 VanDerWaalsContact C-N 3.3Å; Q345-K347 PolarHBondContact O-N 2.94Å; K347-I349 VanDerWaalsContact C-N 3.35Å; K347-I349 PolarHBondContact O-N 3.42Å; K347-V350 PolarHBondContact O-N 3.1Å; K347-E351 PolarHBondContact O-N 3.46Å; K347-E351 VanDerWaalsContact O-N 3.07Å |
| 348 | T | 83.4 | Confident | 81 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 12% | 0.117 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.9 | -34.7 | -179.7 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | N344 Q345 E351 K352 I1010 A1014 L1017 | N344-T348 PolarHBondContact O-N 3.38Å; N344-T348 VanDerWaalsContact O-N 3.12Å; N344-T348 PolarHBondContact O-OG1 3.05Å; Q345-T348 PolarHBondContact O-N 3.22Å; T348-E351 PolarHBondContact O-N 2.68Å; T348-K352 WeakPolarHBondContact O-CB 3.31Å; T348-K352 PolarHBondContact O-N 3.19Å; T348-I1010 HydrophobicContact CG2-CG2 4.14Å; T348-A1014 HydrophobicContact CG2-CB 4.06Å; T348-L1017 HydrophobicContact CG2-CD1 4.48Å; T348-L1017 WeakPolarHBondContact OG1-CD1 3.48Å |
| 349 | I | 78.9 | Confident | 80.7 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175 | -70.6 | 169.9 | 0 | 0 | 0 | 111.5 | Q345 K347 E351 K352 T353 | Q345-I349 HydrophobicContact CG-CD1 3.88Å; Q345-I349 HydrophobicContact CG-CG1 4.44Å; Q345-I349 WeakPolarHBondContact O-CG1 3.48Å; Q345-I349 PolarHBondContact O-N 2.91Å; K347-I349 VanDerWaalsContact C-N 3.35Å; K347-I349 PolarHBondContact O-N 3.42Å; I349-E351 VanDerWaalsContact C-N 3.35Å; I349-K352 PolarHBondContact O-N 3.49Å; I349-T353 PolarHBondContact O-N 3.19Å; I349-T353 PolarHBondContact O-OG1 2.95Å |
| 350 | V | 80.5 | Confident | 80.5 | Confident | 70 Ų | 70 | 73 Ų | 73 | 42% | 0.424 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | T346 K347 T353 Q354 | T346-V350 VanDerWaalsContact O-CG2 3.32Å; T346-V350 WeakPolarHBondContact O-CG2 3.4Å; T346-V350 PolarHBondContact O-N 3.37Å; K347-V350 PolarHBondContact O-N 3.1Å; V350-T353 WeakPolarHBondContact CA-OG1 3.37Å; V350-T353 PolarHBondContact O-OG1 3.48Å; V350-Q354 VanDerWaalsContact O-CG 3.27Å; V350-Q354 WeakPolarHBondContact O-CG 3.36Å; V350-Q354 PolarHBondContact O-N 3.41Å; V350-Q354 VanDerWaalsContact O-N 3.14Å |
| 351 | E | 80 | Confident | 80.2 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 176.6 | -67.9 | 175.7 | 176.5 | 0 | 0 | 112.4 | K347 T348 I349 T353 Q354 I355 I1010 | K347-E351 PolarHBondContact O-N 3.46Å; K347-E351 VanDerWaalsContact O-N 3.07Å; T348-E351 PolarHBondContact O-N 2.68Å; I349-E351 VanDerWaalsContact C-N 3.35Å; E351-T353 PolarHBondContact O-N 3.45Å; E351-Q354 PolarHBondContact O-N 3.3Å; E351-I355 PolarHBondContact O-N 3.38Å; E351-I1010 HydrophobicContact CB-CD1 3.86Å |
| 352 | K | 80.8 | Confident | 79.8 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 30% | 0.3 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57 | -49.9 | 175.1 | 177.9 | -176.5 | 168.2 | -179.4 | 0 | 111.8 | T348 I349 Q354 I355 E356 I1010 L1011 | T348-K352 WeakPolarHBondContact O-CB 3.31Å; T348-K352 PolarHBondContact O-N 3.19Å; I349-K352 PolarHBondContact O-N 3.49Å; K352-Q354 VanDerWaalsContact C-N 3.28Å; K352-Q354 PolarHBondContact O-N 3.41Å; K352-I355 PolarHBondContact O-N 3.32Å; K352-E356 WeakPolarHBondContact CE-OE1 3.49Å; K352-E356 HydrophobicContact CG-CG 4.47Å; K352-E356 IonicContact NZ-OE1 3.43Å; K352-E356 WeakPolarHBondContact O-CG 3.48Å; K352-E356 PolarHBondContact O-N 3.04Å; K352-I1010 HydrophobicContact CB-CG2 3.88Å; K352-L1011 HydrophobicContact CD-CD2 4.41Å |
| 353 | T | 74.9 | Confident | 79.7 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 37% | 0.368 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | -179.2 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | I349 V350 E351 M357 | I349-T353 PolarHBondContact O-N 3.19Å; I349-T353 PolarHBondContact O-OG1 2.95Å; V350-T353 WeakPolarHBondContact CA-OG1 3.37Å; V350-T353 PolarHBondContact O-OG1 3.48Å; E351-T353 PolarHBondContact O-N 3.45Å; T353-M357 VanDerWaalsContact O-CE 3.23Å; T353-M357 WeakPolarHBondContact O-CE 3.46Å; T353-M357 WeakPolarHBondContact O-CG 3.2Å; T353-M357 PolarHBondContact O-N 3.03Å |
| 354 | Q | 79.9 | Confident | 79.6 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 173.7 | -74.4 | 172.7 | 3.2 | 0 | 0 | 112.6 | V350 E351 K352 M357 E358 | V350-Q354 VanDerWaalsContact O-CG 3.27Å; V350-Q354 WeakPolarHBondContact O-CG 3.36Å; V350-Q354 PolarHBondContact O-N 3.41Å; V350-Q354 VanDerWaalsContact O-N 3.14Å; E351-Q354 PolarHBondContact O-N 3.3Å; K352-Q354 VanDerWaalsContact C-N 3.28Å; K352-Q354 PolarHBondContact O-N 3.41Å; Q354-M357 WeakPolarHBondContact O-CB 3.48Å; Q354-M357 PolarHBondContact O-N 3.46Å; Q354-E358 PolarHBondContact O-N 2.94Å |
| 355 | I | 80.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73 | -36.8 | -178.4 | -57.9 | -167 | 0 | 0 | 0 | 112.1 | E351 K352 M357 E358 V359 P1003 R1006 L1007 I1010 | E351-I355 PolarHBondContact O-N 3.38Å; K352-I355 PolarHBondContact O-N 3.32Å; I355-M357 PolarHBondContact O-N 3.33Å; I355-E358 WeakPolarHBondContact O-CB 3.48Å; I355-E358 PolarHBondContact O-N 3.07Å; I355-V359 PolarHBondContact O-N 3.3Å; I355-P1003 WeakPolarHBondContact CG2-O 3.41Å; I355-R1006 HydrophobicContact CD1-CB 3.64Å; I355-L1007 HydrophobicContact CG2-CB 3.84Å; I355-L1007 HydrophobicContact CG2-CD1 4.25Å; I355-I1010 HydrophobicContact CD1-CD1 3.38Å; I355-I1010 HydrophobicContact CD1-CG1 4.31Å; I355-I1010 HydrophobicContact CG1-CD1 4.17Å |
| 356 | E | 76.4 | Confident | 79.5 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 173.4 | -74.3 | 176.9 | 161 | 0 | 0 | 111.8 | K352 K360 L1007 | K352-E356 WeakPolarHBondContact CE-OE1 3.49Å; K352-E356 HydrophobicContact CG-CG 4.47Å; K352-E356 IonicContact NZ-OE1 3.43Å; K352-E356 WeakPolarHBondContact O-CG 3.48Å; K352-E356 PolarHBondContact O-N 3.04Å; E356-K360 PolarHBondContact O-N 3.04Å; E356-K360 VanDerWaalsContact O-N 3.13Å; E356-L1007 HydrophobicContact CG-CD1 3.85Å |
| 357 | M | 77.8 | Confident | 79.7 | Confident | 99 Ų | 99 | 75.6 Ų | 75.6 | 49% | 0.488 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 172.3 | -76 | -173.2 | -83.2 | 0 | 0 | 112.7 | T353 Q354 I355 R361 | T353-M357 VanDerWaalsContact O-CE 3.23Å; T353-M357 WeakPolarHBondContact O-CE 3.46Å; T353-M357 WeakPolarHBondContact O-CG 3.2Å; T353-M357 PolarHBondContact O-N 3.03Å; Q354-M357 WeakPolarHBondContact O-CB 3.48Å; Q354-M357 PolarHBondContact O-N 3.46Å; I355-M357 PolarHBondContact O-N 3.33Å; M357-R361 VanDerWaalsContact O-CG 3.29Å; M357-R361 WeakPolarHBondContact O-CG 3.49Å; M357-R361 PolarHBondContact O-N 3.16Å; M357-R361 VanDerWaalsContact O-N 3.12Å |
| 358 | E | 77.5 | Confident | 79.7 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 175.7 | -70.6 | 175.8 | 179.4 | 0 | 0 | 111.9 | Q354 I355 K360 R361 L362 P1003 R1006 | Q354-E358 PolarHBondContact O-N 2.94Å; I355-E358 WeakPolarHBondContact O-CB 3.48Å; I355-E358 PolarHBondContact O-N 3.07Å; E358-K360 VanDerWaalsContact C-N 3.35Å; E358-K360 PolarHBondContact O-N 3.39Å; E358-R361 WeakPolarHBondContact O-CB 3.5Å; E358-R361 PolarHBondContact O-N 3.07Å; E358-L362 PolarHBondContact O-N 2.75Å; E358-P1003 HydrophobicContact CB-CB 4.21Å; E358-R1006 IonicContact OE2-NH1 3.23Å; E358-R1006 PolarHBondContact OE2-NH1 3.33Å |
| 359 | V | 78.5 | Confident | 79.8 | Confident | 24 Ų | 24 | 74 Ų | 74 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | I355 R361 L362 N363 P1003 L1004 L1007 | I355-V359 PolarHBondContact O-N 3.3Å; V359-R361 VanDerWaalsContact C-N 3.34Å; V359-R361 PolarHBondContact O-N 3.09Å; V359-L362 PolarHBondContact O-N 3.14Å; V359-N363 PolarHBondContact O-N 3.48Å; V359-P1003 HydrophobicContact CG2-CB 3.93Å; V359-P1003 HydrophobicContact CG2-CG 4.47Å; V359-L1004 HydrophobicContact CG1-CD2 4.5Å; V359-L1007 HydrophobicContact CG2-CD2 4.36Å |
| 360 | K | 79.4 | Confident | 79.9 | Confident | 135 Ų | 135 | 70.9 Ų | 70.9 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 176.2 | -168.2 | -178 | 177.9 | -170.7 | 0 | 111.5 | E356 E358 L362 N363 E364 | E356-K360 PolarHBondContact O-N 3.04Å; E356-K360 VanDerWaalsContact O-N 3.13Å; E358-K360 VanDerWaalsContact C-N 3.35Å; E358-K360 PolarHBondContact O-N 3.39Å; K360-L362 PolarHBondContact O-N 3.5Å; K360-N363 PolarHBondContact O-N 2.96Å; K360-E364 VanDerWaalsContact CE-OE1 3.23Å; K360-E364 WeakPolarHBondContact CE-OE1 3.4Å; K360-E364 WeakPolarHBondContact O-CG 3.28Å; K360-E364 PolarHBondContact O-N 3.4Å |
| 361 | R | 79.1 | Confident | 80 | Confident | 163 Ų | 163 | 73.8 Ų | 73.8 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -39.4 | 176.2 | -73.6 | 173 | -176.1 | 178.4 | 3.4 | 112.8 | M357 E358 V359 E364 A365 | M357-R361 VanDerWaalsContact O-CG 3.29Å; M357-R361 WeakPolarHBondContact O-CG 3.49Å; M357-R361 PolarHBondContact O-N 3.16Å; M357-R361 VanDerWaalsContact O-N 3.12Å; E358-R361 WeakPolarHBondContact O-CB 3.5Å; E358-R361 PolarHBondContact O-N 3.07Å; V359-R361 VanDerWaalsContact C-N 3.34Å; V359-R361 PolarHBondContact O-N 3.09Å; R361-E364 PolarHBondContact O-N 2.66Å; R361-A365 WeakPolarHBondContact O-CB 3.42Å; R361-A365 PolarHBondContact O-N 2.96Å |
| 362 | L | 79.4 | Confident | 80.1 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 176.7 | 174.6 | 63.8 | 0 | 0 | 0 | 111.6 | E358 V359 K360 E364 A365 I366 A998 L999 P1003 | E358-L362 PolarHBondContact O-N 2.75Å; V359-L362 PolarHBondContact O-N 3.14Å; K360-L362 PolarHBondContact O-N 3.5Å; L362-E364 VanDerWaalsContact C-N 3.33Å; L362-E364 PolarHBondContact O-N 3.28Å; L362-A365 PolarHBondContact O-N 3.35Å; L362-I366 HydrophobicContact CD1-CD1 4.14Å; L362-I366 HydrophobicContact CD1-CG1 4.44Å; L362-I366 HydrophobicContact CG-CD1 4.21Å; L362-I366 WeakPolarHBondContact O-CG1 3.28Å; L362-I366 PolarHBondContact O-N 3.49Å; L362-A998 HydrophobicContact CB-CB 4.32Å; L362-A998 HydrophobicContact CD1-CB 3.55Å; L362-L999 HydrophobicContact CD1-CG 4.29Å; L362-P1003 HydrophobicContact CD2-CG 4.2Å |
| 363 | N | 78.6 | Confident | 80.2 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.9 | -73.9 | -32.5 | 0 | 0 | 0 | 111.9 | V359 K360 A365 I366 I367 | V359-N363 PolarHBondContact O-N 3.48Å; K360-N363 PolarHBondContact O-N 2.96Å; N363-A365 VanDerWaalsContact C-N 3.34Å; N363-A365 PolarHBondContact O-N 2.92Å; N363-I366 PolarHBondContact O-N 3.41Å; N363-I367 WeakPolarHBondContact O-CD1 3.32Å; N363-I367 VanDerWaalsContact O-CG1 3.25Å; N363-I367 WeakPolarHBondContact O-CG1 3.42Å; N363-I367 PolarHBondContact O-N 2.86Å; N363-I367 VanDerWaalsContact O-N 3.1Å |
| 364 | E | 81.3 | Confident | 80.4 | Confident | 103 Ų | 103 | 66 Ų | 66 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 174.2 | -73 | 170.2 | -179 | 0 | 0 | 111.9 | K360 R361 L362 N368 | K360-E364 VanDerWaalsContact CE-OE1 3.23Å; K360-E364 WeakPolarHBondContact CE-OE1 3.4Å; K360-E364 WeakPolarHBondContact O-CG 3.28Å; K360-E364 PolarHBondContact O-N 3.4Å; R361-E364 PolarHBondContact O-N 2.66Å; L362-E364 VanDerWaalsContact C-N 3.33Å; L362-E364 PolarHBondContact O-N 3.28Å; E364-N368 WeakPolarHBondContact O-CB 3.48Å; E364-N368 PolarHBondContact O-N 3.13Å |
| 365 | A | 82.4 | Confident | 80.5 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R361 L362 N363 N368 R369 V995 | R361-A365 WeakPolarHBondContact O-CB 3.42Å; R361-A365 PolarHBondContact O-N 2.96Å; L362-A365 PolarHBondContact O-N 3.35Å; N363-A365 VanDerWaalsContact C-N 3.34Å; N363-A365 PolarHBondContact O-N 2.92Å; A365-N368 PolarHBondContact O-N 2.78Å; A365-R369 PolarHBondContact O-N 3.48Å; A365-V995 HydrophobicContact CB-CG2 4.06Å |
| 366 | I | 80.3 | Confident | 80.5 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 177.2 | -67.4 | 169.3 | 0 | 0 | 0 | 110.7 | L362 N363 N368 R369 D370 V995 | L362-I366 HydrophobicContact CD1-CD1 4.14Å; L362-I366 HydrophobicContact CD1-CG1 4.44Å; L362-I366 HydrophobicContact CG-CD1 4.21Å; L362-I366 WeakPolarHBondContact O-CG1 3.28Å; L362-I366 PolarHBondContact O-N 3.49Å; N363-I366 PolarHBondContact O-N 3.41Å; I366-N368 VanDerWaalsContact C-N 3.28Å; I366-N368 PolarHBondContact O-N 3.44Å; I366-R369 PolarHBondContact O-N 2.81Å; I366-D370 PolarHBondContact O-N 2.6Å; I366-V995 HydrophobicContact CG1-CG1 4.23Å; I366-V995 HydrophobicContact CG1-CG2 4.19Å |
| 367 | I | 82.2 | Confident | 80.7 | Confident | 103 Ų | 103 | 59.9 Ų | 59.9 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.9 | -68.9 | 166.6 | 0 | 0 | 0 | 110.5 | N363 D370 M371 | N363-I367 WeakPolarHBondContact O-CD1 3.32Å; N363-I367 VanDerWaalsContact O-CG1 3.25Å; N363-I367 WeakPolarHBondContact O-CG1 3.42Å; N363-I367 PolarHBondContact O-N 2.86Å; N363-I367 VanDerWaalsContact O-N 3.1Å; I367-D370 PolarHBondContact O-N 3.32Å; I367-M371 HydrophobicContact CG2-CG 4.44Å; I367-M371 HydrophobicContact CG2-SD 4.05Å; I367-M371 WeakPolarHBondContact O-CB 3.42Å; I367-M371 VanDerWaalsContact O-CG 3.27Å; I367-M371 WeakPolarHBondContact O-CG 3.45Å; I367-M371 PolarHBondContact O-N 2.74Å |
| 368 | N | 82.8 | Confident | 80.8 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 178.1 | -173.9 | 37.6 | 0 | 0 | 0 | 112.3 | E364 A365 I366 M371 I372 | E364-N368 WeakPolarHBondContact O-CB 3.48Å; E364-N368 PolarHBondContact O-N 3.13Å; A365-N368 PolarHBondContact O-N 2.78Å; I366-N368 VanDerWaalsContact C-N 3.28Å; I366-N368 PolarHBondContact O-N 3.44Å; N368-M371 PolarHBondContact O-N 3.36Å; N368-I372 VanDerWaalsContact O-CG1 3.31Å; N368-I372 WeakPolarHBondContact O-CG1 3.43Å; N368-I372 PolarHBondContact O-N 2.83Å; N368-I372 VanDerWaalsContact O-N 3.11Å |
| 369 | R | 84.6 | Confident | 80.7 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 176.4 | -175.7 | -164.2 | 68.3 | 169 | 4.3 | 111.4 | A365 I366 M371 I372 L373 A991 V995 | A365-R369 PolarHBondContact O-N 3.48Å; I366-R369 PolarHBondContact O-N 2.81Å; R369-M371 VanDerWaalsContact C-N 3.32Å; R369-M371 PolarHBondContact O-N 3.44Å; R369-I372 PolarHBondContact O-N 2.79Å; R369-I372 VanDerWaalsContact O-N 3.16Å; R369-L373 HydrophobicContact CG-CD1 4.01Å; R369-L373 WeakPolarHBondContact O-CG 3.4Å; R369-L373 PolarHBondContact O-N 2.6Å; R369-A991 HydrophobicContact CB-CB 4.2Å; R369-V995 HydrophobicContact CB-CG2 4.05Å |
| 370 | D | 81.8 | Confident | 80.6 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.4 | -32.6 | -175.4 | -69.5 | 0.7 | 0 | 0 | 0 | 111.7 | I366 I367 A374 F392 | I366-D370 PolarHBondContact O-N 2.6Å; I367-D370 PolarHBondContact O-N 3.32Å; D370-A374 WeakPolarHBondContact O-CB 3.48Å; D370-A374 PolarHBondContact O-N 3.24Å; D370-F392 HydrophobicContact CB-CD2 4.08Å; D370-F392 HydrophobicContact CB-CE2 4.39Å |
| 371 | M | 82.1 | Confident | 80.1 | Confident | 131 Ų | 131 | 58 Ų | 58 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 170.7 | -78.5 | -177.6 | 68 | 0 | 0 | 112.7 | I367 N368 R369 S375 | I367-M371 HydrophobicContact CG2-CG 4.44Å; I367-M371 HydrophobicContact CG2-SD 4.05Å; I367-M371 WeakPolarHBondContact O-CB 3.42Å; I367-M371 VanDerWaalsContact O-CG 3.27Å; I367-M371 WeakPolarHBondContact O-CG 3.45Å; I367-M371 PolarHBondContact O-N 2.74Å; N368-M371 PolarHBondContact O-N 3.36Å; R369-M371 VanDerWaalsContact C-N 3.32Å; R369-M371 PolarHBondContact O-N 3.44Å; M371-S375 PolarHBondContact O-N 3.28Å; M371-S375 VanDerWaalsContact O-N 3.14Å |
| 372 | I | 82.7 | Confident | 79.4 | Confident | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 177.9 | -66.2 | 163.5 | 0 | 0 | 0 | 110.2 | N368 R369 A374 S375 I376 K987 L988 A991 | N368-I372 VanDerWaalsContact O-CG1 3.31Å; N368-I372 WeakPolarHBondContact O-CG1 3.43Å; N368-I372 PolarHBondContact O-N 2.83Å; N368-I372 VanDerWaalsContact O-N 3.11Å; R369-I372 PolarHBondContact O-N 2.79Å; R369-I372 VanDerWaalsContact O-N 3.16Å; I372-A374 PolarHBondContact O-N 3.44Å; I372-S375 WeakPolarHBondContact O-CB 3.44Å; I372-S375 PolarHBondContact O-N 3.45Å; I372-S375 VanDerWaalsContact O-N 3.14Å; I372-S375 PolarHBondContact O-OG 2.77Å; I372-I376 HydrophobicContact CG2-CD1 3.99Å; I372-I376 WeakPolarHBondContact O-CG1 3.01Å; I372-I376 PolarHBondContact O-N 2.7Å; I372-I376 VanDerWaalsContact O-N 3.07Å; I372-K987 HydrophobicContact CD1-CB 4.29Å; I372-L988 HydrophobicContact CG2-CB 4.03Å; I372-L988 HydrophobicContact CG2-CD1 4.18Å; I372-A991 HydrophobicContact CD1-CB 3.82Å |
| 373 | L | 82.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 176.7 | -76 | 166.8 | 0 | 0 | 0 | 112.1 | R369 S375 I376 V377 F392 V397 I400 L988 | R369-L373 HydrophobicContact CG-CD1 4.01Å; R369-L373 WeakPolarHBondContact O-CG 3.4Å; R369-L373 PolarHBondContact O-N 2.6Å; L373-S375 VanDerWaalsContact C-N 3.27Å; L373-S375 PolarHBondContact O-N 3.37Å; L373-I376 PolarHBondContact O-N 2.79Å; L373-I376 VanDerWaalsContact O-N 3.11Å; L373-V377 WeakPolarHBondContact O-CG2 3.19Å; L373-V377 PolarHBondContact O-N 3.3Å; L373-F392 HydrophobicContact CB-CD1 4.41Å; L373-F392 HydrophobicContact CB-CD2 3.88Å; L373-F392 HydrophobicContact CB-CE1 4.19Å; L373-F392 HydrophobicContact CB-CE2 3.63Å; L373-F392 HydrophobicContact CB-CG 4.27Å; L373-F392 HydrophobicContact CB-CZ 3.8Å; L373-F392 HydrophobicContact CD1-CB 3.95Å; L373-F392 HydrophobicContact CD1-CD1 4.38Å; L373-F392 HydrophobicContact CD1-CD2 3.81Å; L373-F392 HydrophobicContact CD1-CE2 4.44Å; L373-F392 HydrophobicContact CD1-CG 3.78Å; L373-V397 HydrophobicContact CD1-CG2 3.77Å; L373-I400 HydrophobicContact CD2-CB 4.18Å; L373-I400 HydrophobicContact CD2-CD1 3.91Å; L373-I400 HydrophobicContact CD2-CG2 3.89Å; L373-L988 HydrophobicContact CD2-CD1 3.55Å; L373-L988 HydrophobicContact CD2-CD2 4.11Å; L373-L988 HydrophobicContact CD2-CG 4.5Å; L373-L988 HydrophobicContact CG-CD1 3.72Å |
| 374 | A | 79.7 | Confident | 77.9 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 35% | 0.347 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D370 I372 I376 V377 T378 F392 | D370-A374 WeakPolarHBondContact O-CB 3.48Å; D370-A374 PolarHBondContact O-N 3.24Å; I372-A374 PolarHBondContact O-N 3.44Å; A374-I376 VanDerWaalsContact C-N 3.32Å; A374-I376 PolarHBondContact O-N 3.41Å; A374-V377 PolarHBondContact O-N 3.5Å; A374-T378 PolarHBondContact O-N 2.97Å; A374-T378 PolarHBondContact O-OG1 2.66Å; A374-F392 HydrophobicContact CB-CZ 4.48Å |
| 375 | S | 81.8 | Confident | 77.1 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 178.1 | 84.6 | 0 | 0 | 0 | 0 | 113.6 | M371 I372 L373 N379 | M371-S375 PolarHBondContact O-N 3.28Å; M371-S375 VanDerWaalsContact O-N 3.14Å; I372-S375 WeakPolarHBondContact O-CB 3.44Å; I372-S375 PolarHBondContact O-N 3.45Å; I372-S375 VanDerWaalsContact O-N 3.14Å; I372-S375 PolarHBondContact O-OG 2.77Å; L373-S375 VanDerWaalsContact C-N 3.27Å; L373-S375 PolarHBondContact O-N 3.37Å; S375-N379 WeakPolarHBondContact O-CB 3.45Å; S375-N379 VanDerWaalsContact O-CG 3.32Å; S375-N379 PolarHBondContact O-N 3.08Å; S375-N379 PolarHBondContact O-ND2 3.42Å |
| 376 | I | 80.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.8 | -46 | 179.1 | -72.3 | 169.6 | 0 | 0 | 0 | 109.9 | I372 L373 A374 T378 N379 Y380 I400 V404 L988 | I372-I376 HydrophobicContact CG2-CD1 3.99Å; I372-I376 WeakPolarHBondContact O-CG1 3.01Å; I372-I376 PolarHBondContact O-N 2.7Å; I372-I376 VanDerWaalsContact O-N 3.07Å; L373-I376 PolarHBondContact O-N 2.79Å; L373-I376 VanDerWaalsContact O-N 3.11Å; A374-I376 VanDerWaalsContact C-N 3.32Å; A374-I376 PolarHBondContact O-N 3.41Å; I376-T378 VanDerWaalsContact C-N 3.34Å; I376-T378 PolarHBondContact O-N 2.71Å; I376-N379 PolarHBondContact O-N 3.21Å; I376-Y380 HydrophobicContact CG2-CD2 4.34Å; I376-Y380 WeakPolarHBondContact O-CD2 3.29Å; I376-Y380 PolarHBondContact O-N 2.99Å; I376-I400 HydrophobicContact CG2-CG2 3.74Å; I376-V404 HydrophobicContact CG2-CG2 3.41Å; I376-V404 VanDerWaalsContact CG2-CG2 3.41Å; I376-L988 HydrophobicContact CD1-CB 4.12Å; I376-L988 HydrophobicContact CD1-CD2 3.76Å; I376-L988 HydrophobicContact CD1-CG 4.38Å |
| 377 | V | 79.5 | Confident | 75.4 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.6 | -50.1 | 176 | 166.3 | 0 | 0 | 0 | 0 | 110.7 | L373 A374 N379 I381 Y386 F392 I400 | L373-V377 WeakPolarHBondContact O-CG2 3.19Å; L373-V377 PolarHBondContact O-N 3.3Å; A374-V377 PolarHBondContact O-N 3.5Å; V377-N379 VanDerWaalsContact C-N 3.28Å; V377-N379 PolarHBondContact O-N 3.41Å; V377-I381 HydrophobicContact CG2-CD1 4.14Å; V377-I381 PolarHBondContact O-N 2.9Å; V377-Y386 HydrophobicContact CG1-CD2 4.42Å; V377-Y386 HydrophobicContact CG1-CG 4.39Å; V377-Y386 HydrophobicContact CG2-CD2 4.24Å; V377-Y386 HydrophobicContact CG2-CG 4.28Å; V377-F392 HydrophobicContact CG2-CE1 4.26Å; V377-I400 HydrophobicContact CG2-CD1 3.74Å; V377-I400 HydrophobicContact CG2-CG1 4.45Å |
| 378 | T | 79.4 | Confident | 74.5 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 72% | 0.718 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -32.9 | -178.2 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | A374 I376 | A374-T378 PolarHBondContact O-N 2.97Å; A374-T378 PolarHBondContact O-OG1 2.66Å; I376-T378 VanDerWaalsContact C-N 3.34Å; I376-T378 PolarHBondContact O-N 2.71Å |
| 379 | N | 76.5 | Confident | 73.6 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -95.1 | -28.9 | -171.4 | -72.5 | -43.2 | 0 | 0 | 0 | 114.5 | S375 I376 V377 K984 | S375-N379 WeakPolarHBondContact O-CB 3.45Å; S375-N379 VanDerWaalsContact O-CG 3.32Å; S375-N379 PolarHBondContact O-N 3.08Å; S375-N379 PolarHBondContact O-ND2 3.42Å; I376-N379 PolarHBondContact O-N 3.21Å; V377-N379 VanDerWaalsContact C-N 3.28Å; V377-N379 PolarHBondContact O-N 3.41Å; N379-K984 PolarHBondContact ND2-NZ 3.48Å |
| 380 | Y | 75.4 | Confident | 72.6 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -129 | -20.4 | -166.9 | -56.8 | -76.2 | 0 | 0 | 0 | 115.3 | I376 P382 F403 L407 I981 K984 | I376-Y380 HydrophobicContact CG2-CD2 4.34Å; I376-Y380 WeakPolarHBondContact O-CD2 3.29Å; I376-Y380 PolarHBondContact O-N 2.99Å; Y380-P382 WeakPolarHBondContact O-CD 3.32Å; Y380-F403 VanDerWaalsContact O-CE1 3.28Å; Y380-F403 WeakPolarHBondContact O-CE1 3.47Å; Y380-F403 WeakPolarHBondContact O-CZ 3.39Å; Y380-L407 HydrophobicContact CD1-CD2 3.61Å; Y380-L407 HydrophobicContact CE1-CD2 4.15Å; Y380-L407 HydrophobicContact CG-CD2 4.28Å; Y380-I981 HydrophobicContact CE1-CG1 4.07Å; Y380-K984 HydrophobicContact CE2-CD 3.62Å; Y380-K984 PolarHBondContact OH-NZ 3.44Å |
| 381 | I | 70.7 | Confident | 71.9 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 11% | 0.108 | 44% | 0.44 | C | S | . | . | trans | -99.7 | 103.1 | -176.5 | -61.8 | 176.3 | 0 | 0 | 0 | 109.1 | V377 G383 Y386 I400 F403 | V377-I381 HydrophobicContact CG2-CD1 4.14Å; V377-I381 PolarHBondContact O-N 2.9Å; I381-G383 PolarHBondContact O-N 3Å; I381-Y386 HydrophobicContact CG2-CD2 4.42Å; I381-I400 HydrophobicContact CD1-CG1 3.88Å; I381-I400 HydrophobicContact CD1-CG2 4.35Å; I381-F403 HydrophobicContact CD1-CD1 4.27Å; I381-F403 HydrophobicContact CG1-CD1 3.67Å; I381-F403 HydrophobicContact CG1-CE1 3.69Å; I381-F403 HydrophobicContact CG1-CG 4.37Å; I381-F403 HydrophobicContact CG1-CZ 4.4Å | ||
| 382 | P | 64.1 | Low | 71.5 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 77% | 0.773 | 41% | 0.412 | S | S | * | . | trans | -70.8 | 117.8 | 174 | 26 | -31.2 | 0 | 0 | 0 | 110.6 | Y380 | Y380-P382 WeakPolarHBondContact O-CD 3.32Š| ||
| 383 | G | 62.1 | Low | 71.3 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 136.8 | 154.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I381 K385 | I381-G383 PolarHBondContact O-N 3Å; G383-K385 PolarHBondContact O-N 3.41Å; G383-K385 VanDerWaalsContact O-N 3.12Å |
| 384 | N | 63.1 | Low | 70.8 | Confident | 152 Ų | 152 | 82.4 Ų | 82.4 | 81% | 0.813 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -77.8 | 8.8 | -173.1 | -65.7 | -2.1 | 0 | 0 | 0 | 114.7 | Y386 | N384-Y386 PolarHBondContact O-N 3.38Š|
| 385 | K | 66.1 | Low | 70.5 | Confident | 148 Ų | 148 | 83.6 Ų | 83.6 | 64% | 0.643 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -62.8 | -27.5 | -170.3 | -163.9 | -178.7 | 176.5 | -160.9 | 0 | 113.2 | G383 | G383-K385 PolarHBondContact O-N 3.41Å; G383-K385 VanDerWaalsContact O-N 3.12Å |
| 386 | Y | 67.1 | Low | 70.4 | Confident | 13 Ų | 13 | 83 Ų | 83 | 5% | 0.051 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -124.9 | 12.9 | -174.2 | -57.5 | -66.4 | 0 | 0 | 0 | 113.8 | V377 I381 N384 D388 V389 D396 Y399 | V377-Y386 HydrophobicContact CG1-CD2 4.42Å; V377-Y386 HydrophobicContact CG1-CG 4.39Å; V377-Y386 HydrophobicContact CG2-CD2 4.24Å; V377-Y386 HydrophobicContact CG2-CG 4.28Å; I381-Y386 HydrophobicContact CG2-CD2 4.42Å; N384-Y386 PolarHBondContact O-N 3.38Å; Y386-D388 PolarHBondContact O-N 2.74Å; Y386-V389 HydrophobicContact CD1-CG2 4.26Å; Y386-D396 HydrophobicContact CE1-CB 4.17Å; Y386-Y399 HydrophobicContact CE2-CD1 4.11Å; Y386-Y399 HydrophobicContact CE2-CE1 4.01Å; Y386-Y399 WeakPolarHBondContact OH-CD1 3.32Å |
| 387 | A | 59.5 | Low | 70.3 | Confident | 73 Ų | 73 | 83.5 Ų | 83.5 | 60% | 0.603 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 388 | D | 63.9 | Low | 70.3 | Confident | 158 Ų | 158 | 88.7 Ų | 88.7 | 85% | 0.845 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 13 | -175.7 | -68.3 | -44.4 | 0 | 0 | 0 | 114 | Y386 K390 | Y386-D388 PolarHBondContact O-N 2.74Å; D388-K390 PolarHBondContact O-N 2.94Å |
| 389 | V | 62.4 | Low | 70.4 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | trans | -80.9 | 110.4 | -174.4 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | Y386 Q391 F392 | Y386-V389 HydrophobicContact CD1-CG2 4.26Å; V389-Q391 WeakPolarHBondContact CG1-O 3.31Å; V389-F392 HydrophobicContact CB-CE1 4.43Å; V389-F392 HydrophobicContact CG1-CD1 4.03Å; V389-F392 HydrophobicContact CG1-CE1 4.19Å; V389-F392 HydrophobicContact CG1-CG 4.3Å | ||
| 390 | K | 64.7 | Low | 70.7 | Confident | 196 Ų | 196 | 83.4 Ų | 83.4 | 85% | 0.852 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -87 | -18.5 | 176.9 | -68.2 | -175.7 | 179.9 | 178.8 | 0 | 114 | D388 | D388-K390 PolarHBondContact O-N 2.94Š|
| 391 | Q | 66.2 | Low | 70.9 | Confident | 162 Ų | 162 | 83.9 Ų | 83.9 | 76% | 0.757 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -142.7 | 118.5 | 179.3 | -76 | 179.4 | -20 | 0 | 0 | 107.7 | V389 | V389-Q391 WeakPolarHBondContact CG1-O 3.31Š|
| 392 | F | 75.1 | Confident | 71.5 | Confident | 15 Ų | 15 | 89.1 Ų | 89.1 | 7% | 0.066 | 48% | 0.48 | C | S | . | . | trans | -82.3 | 131.6 | 178.6 | -67.5 | -86.2 | 0 | 0 | 0 | 110.1 | D370 L373 A374 V377 V389 D396 V397 I400 | D370-F392 HydrophobicContact CB-CD2 4.08Å; D370-F392 HydrophobicContact CB-CE2 4.39Å; L373-F392 HydrophobicContact CB-CD1 4.41Å; L373-F392 HydrophobicContact CB-CD2 3.88Å; L373-F392 HydrophobicContact CB-CE1 4.19Å; L373-F392 HydrophobicContact CB-CE2 3.63Å; L373-F392 HydrophobicContact CB-CG 4.27Å; L373-F392 HydrophobicContact CB-CZ 3.8Å; L373-F392 HydrophobicContact CD1-CB 3.95Å; L373-F392 HydrophobicContact CD1-CD1 4.38Å; L373-F392 HydrophobicContact CD1-CD2 3.81Å; L373-F392 HydrophobicContact CD1-CE2 4.44Å; L373-F392 HydrophobicContact CD1-CG 3.78Å; A374-F392 HydrophobicContact CB-CZ 4.48Å; V377-F392 HydrophobicContact CG2-CE1 4.26Å; V389-F392 HydrophobicContact CB-CE1 4.43Å; V389-F392 HydrophobicContact CG1-CD1 4.03Å; V389-F392 HydrophobicContact CG1-CE1 4.19Å; V389-F392 HydrophobicContact CG1-CG 4.3Å; F392-D396 HydrophobicContact CB-CB 4.46Å; F392-D396 HydrophobicContact CD1-CB 4.2Å; F392-V397 HydrophobicContact CB-CG2 4.18Å; F392-I400 HydrophobicContact CD1-CD1 4.16Å; F392-I400 HydrophobicContact CE1-CD1 4.04Å | ||
| 393 | T | 77.1 | Confident | 72.4 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | trans | -77.5 | 157.3 | 170.3 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | A395 D396 V397 | T393-A395 PolarHBondContact O-N 3.29Å; T393-D396 WeakPolarHBondContact CB-OD2 3.33Å; T393-D396 PolarHBondContact N-OD2 3.49Å; T393-D396 WeakPolarHBondContact O-CA 3.47Å; T393-D396 WeakPolarHBondContact O-CB 3.49Å; T393-D396 PolarHBondContact O-N 3.18Å; T393-D396 PolarHBondContact OG1-N 3.11Å; T393-D396 PolarHBondContact OG1-OD2 2.73Å; T393-V397 WeakPolarHBondContact O-CG2 3.47Å; T393-V397 PolarHBondContact O-N 2.89Å; T393-V397 VanDerWaalsContact O-N 3.11Å | ||
| 394 | D | 72.1 | Confident | 73.4 | Confident | 127 Ų | 127 | 84.3 Ų | 84.3 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.6 | -33.8 | 179.6 | -63.3 | -25.8 | 0 | 0 | 0 | 112.3 | D396 V397 E398 | D394-D396 PolarHBondContact O-N 2.81Å; D394-V397 PolarHBondContact O-N 3.31Å; D394-E398 PolarHBondContact O-N 3.39Å; D394-E398 VanDerWaalsContact O-N 3.11Å |
| 395 | A | 73.7 | Confident | 74.2 | Confident | 67 Ų | 67 | 81.6 Ų | 81.6 | 55% | 0.554 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.4 | -33.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T393 Y399 | T393-A395 PolarHBondContact O-N 3.29Å; A395-Y399 PolarHBondContact O-N 3.47Å |
| 396 | D | 79.2 | Confident | 75.1 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.4 | -40 | 175.1 | -59.2 | -47.5 | 0 | 0 | 0 | 110.9 | Y386 F392 T393 D394 I400 | Y386-D396 HydrophobicContact CE1-CB 4.17Å; F392-D396 HydrophobicContact CB-CB 4.46Å; F392-D396 HydrophobicContact CD1-CB 4.2Å; T393-D396 WeakPolarHBondContact CB-OD2 3.33Å; T393-D396 PolarHBondContact N-OD2 3.49Å; T393-D396 WeakPolarHBondContact O-CA 3.47Å; T393-D396 WeakPolarHBondContact O-CB 3.49Å; T393-D396 PolarHBondContact O-N 3.18Å; T393-D396 PolarHBondContact OG1-N 3.11Å; T393-D396 PolarHBondContact OG1-OD2 2.73Å; D394-D396 PolarHBondContact O-N 2.81Å; D396-I400 WeakPolarHBondContact O-CD1 3.49Å; D396-I400 WeakPolarHBondContact O-CG1 3.37Å; D396-I400 PolarHBondContact O-N 2.83Å; D396-I400 VanDerWaalsContact O-N 3.09Å |
| 397 | V | 79.7 | Confident | 76 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L373 F392 T393 D394 Y399 I400 M401 | L373-V397 HydrophobicContact CD1-CG2 3.77Å; F392-V397 HydrophobicContact CB-CG2 4.18Å; T393-V397 WeakPolarHBondContact O-CG2 3.47Å; T393-V397 PolarHBondContact O-N 2.89Å; T393-V397 VanDerWaalsContact O-N 3.11Å; D394-V397 PolarHBondContact O-N 3.31Å; V397-Y399 PolarHBondContact O-N 2.7Å; V397-I400 PolarHBondContact O-N 3.43Å; V397-M401 HydrophobicContact CG1-SD 4.27Å; V397-M401 WeakPolarHBondContact O-CG 3.05Å; V397-M401 PolarHBondContact O-N 2.98Å |
| 398 | E | 77.9 | Confident | 77.3 | Confident | 124 Ų | 124 | 75.5 Ų | 75.5 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | -178.4 | -167 | 174 | -168.3 | 0 | 0 | 112.3 | D394 I400 M401 Q402 | D394-E398 PolarHBondContact O-N 3.39Å; D394-E398 VanDerWaalsContact O-N 3.11Å; E398-I400 PolarHBondContact O-N 3.09Å; E398-M401 PolarHBondContact O-N 3.21Å; E398-Q402 PolarHBondContact O-N 2.86Å; E398-Q402 VanDerWaalsContact O-N 3.13Å |
| 399 | Y | 82.4 | Confident | 78.3 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.7 | 174.9 | -91.4 | 0 | 0 | 0 | 112.3 | Y386 A395 V397 Q402 F403 | Y386-Y399 HydrophobicContact CE2-CD1 4.11Å; Y386-Y399 HydrophobicContact CE2-CE1 4.01Å; Y386-Y399 WeakPolarHBondContact OH-CD1 3.32Å; A395-Y399 PolarHBondContact O-N 3.47Å; V397-Y399 PolarHBondContact O-N 2.7Å; Y399-Q402 PolarHBondContact O-N 2.97Å; Y399-F403 PolarHBondContact O-N 3.43Å; Y399-F403 VanDerWaalsContact O-N 3.09Å |
| 400 | I | 81.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | -179.3 | -68.2 | 166.2 | 0 | 0 | 0 | 110.5 | L373 I376 V377 I381 F392 D396 V397 E398 F403 V404 L988 | L373-I400 HydrophobicContact CD2-CB 4.18Å; L373-I400 HydrophobicContact CD2-CD1 3.91Å; L373-I400 HydrophobicContact CD2-CG2 3.89Å; I376-I400 HydrophobicContact CG2-CG2 3.74Å; V377-I400 HydrophobicContact CG2-CD1 3.74Å; V377-I400 HydrophobicContact CG2-CG1 4.45Å; I381-I400 HydrophobicContact CD1-CG1 3.88Å; I381-I400 HydrophobicContact CD1-CG2 4.35Å; F392-I400 HydrophobicContact CD1-CD1 4.16Å; F392-I400 HydrophobicContact CE1-CD1 4.04Å; D396-I400 WeakPolarHBondContact O-CD1 3.49Å; D396-I400 WeakPolarHBondContact O-CG1 3.37Å; D396-I400 PolarHBondContact O-N 2.83Å; D396-I400 VanDerWaalsContact O-N 3.09Å; V397-I400 PolarHBondContact O-N 3.43Å; E398-I400 PolarHBondContact O-N 3.09Å; I400-F403 PolarHBondContact O-N 3.4Å; I400-V404 HydrophobicContact CG2-CG2 4.39Å; I400-V404 VanDerWaalsContact O-CG2 3.32Å; I400-V404 WeakPolarHBondContact O-CG2 3.23Å; I400-V404 PolarHBondContact O-N 2.85Å; I400-V404 VanDerWaalsContact O-N 3.08Å; I400-L988 HydrophobicContact CG2-CD2 4.48Å |
| 401 | M | 81.1 | Confident | 80.5 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 28% | 0.281 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.2 | -74.8 | -177.8 | 66.8 | 0 | 0 | 112.2 | V397 E398 F403 V404 D405 L988 | V397-M401 HydrophobicContact CG1-SD 4.27Å; V397-M401 WeakPolarHBondContact O-CG 3.05Å; V397-M401 PolarHBondContact O-N 2.98Å; E398-M401 PolarHBondContact O-N 3.21Å; M401-F403 VanDerWaalsContact C-N 3.33Å; M401-F403 PolarHBondContact O-N 3.47Å; M401-V404 PolarHBondContact O-N 3.12Å; M401-D405 PolarHBondContact O-N 3.42Å; M401-D405 VanDerWaalsContact O-N 3.1Å; M401-L988 HydrophobicContact CG-CD2 3.76Å; M401-L988 HydrophobicContact CG-CG 4.42Å |
| 402 | Q | 82.5 | Confident | 81.4 | Confident | 132 Ų | 132 | 63.7 Ų | 63.7 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | 178.3 | -71.4 | 179.9 | 3.9 | 0 | 0 | 112.6 | E398 Y399 G406 | E398-Q402 PolarHBondContact O-N 2.86Å; E398-Q402 VanDerWaalsContact O-N 3.13Å; Y399-Q402 PolarHBondContact O-N 2.97Å; Q402-G406 PolarHBondContact O-N 2.88Å |
| 403 | F | 83.3 | Confident | 81.9 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 178.6 | -179 | -91.7 | 0 | 0 | 0 | 112.4 | Y380 I381 Y399 I400 M401 D405 G406 L407 | Y380-F403 VanDerWaalsContact O-CE1 3.28Å; Y380-F403 WeakPolarHBondContact O-CE1 3.47Å; Y380-F403 WeakPolarHBondContact O-CZ 3.39Å; I381-F403 HydrophobicContact CD1-CD1 4.27Å; I381-F403 HydrophobicContact CG1-CD1 3.67Å; I381-F403 HydrophobicContact CG1-CE1 3.69Å; I381-F403 HydrophobicContact CG1-CG 4.37Å; I381-F403 HydrophobicContact CG1-CZ 4.4Å; Y399-F403 PolarHBondContact O-N 3.43Å; Y399-F403 VanDerWaalsContact O-N 3.09Å; I400-F403 PolarHBondContact O-N 3.4Å; M401-F403 VanDerWaalsContact C-N 3.33Å; M401-F403 PolarHBondContact O-N 3.47Å; F403-D405 VanDerWaalsContact C-N 3.33Å; F403-D405 PolarHBondContact O-N 2.81Å; F403-G406 PolarHBondContact O-N 3.39Å; F403-L407 HydrophobicContact CE1-CD1 4.03Å; F403-L407 HydrophobicContact CZ-CD1 4.2Å; F403-L407 PolarHBondContact O-N 3.17Å; F403-L407 VanDerWaalsContact O-N 3.11Å |
| 404 | V | 82.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | I376 I400 M401 L407 L408 I981 L985 | I376-V404 HydrophobicContact CG2-CG2 3.41Å; I376-V404 VanDerWaalsContact CG2-CG2 3.41Å; I400-V404 HydrophobicContact CG2-CG2 4.39Å; I400-V404 VanDerWaalsContact O-CG2 3.32Å; I400-V404 WeakPolarHBondContact O-CG2 3.23Å; I400-V404 PolarHBondContact O-N 2.85Å; I400-V404 VanDerWaalsContact O-N 3.08Å; M401-V404 PolarHBondContact O-N 3.12Å; V404-L407 PolarHBondContact O-N 3.49Å; V404-L408 PolarHBondContact O-N 2.95Å; V404-I981 HydrophobicContact CG1-CG2 4.06Å; V404-L985 HydrophobicContact CB-CD1 4.12Å; V404-L985 HydrophobicContact CG1-CB 4.06Å; V404-L985 HydrophobicContact CG1-CD1 3.84Å; V404-L985 HydrophobicContact CG1-CG 4.42Å |
| 405 | D | 80.8 | Confident | 83 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.3 | -162.5 | 55.4 | 0 | 0 | 0 | 111.9 | M401 F403 L407 L408 H409 | M401-D405 PolarHBondContact O-N 3.42Å; M401-D405 VanDerWaalsContact O-N 3.1Å; F403-D405 VanDerWaalsContact C-N 3.33Å; F403-D405 PolarHBondContact O-N 2.81Å; D405-L407 VanDerWaalsContact C-N 3.34Å; D405-L407 PolarHBondContact O-N 2.91Å; D405-L408 WeakPolarHBondContact O-CB 3.45Å; D405-L408 PolarHBondContact O-N 3.39Å; D405-H409 PolarHBondContact O-N 3.21Å; D405-H409 VanDerWaalsContact O-N 3.15Å |
| 406 | G | 84.2 | Confident | 83.5 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q402 F403 H409 E410 | Q402-G406 PolarHBondContact O-N 2.88Å; F403-G406 PolarHBondContact O-N 3.39Å; G406-H409 PolarHBondContact O-N 3.43Å; G406-E410 PolarHBondContact O-N 3.49Å; G406-E410 VanDerWaalsContact O-N 3.14Å |
| 407 | L | 85.8 | Confident | 83.9 | Confident | 37 Ų | 37 | 68 Ų | 68 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.4 | -33.2 | 179.1 | -159.6 | 116.2 | 0 | 0 | 0 | 112.7 | Y380 F403 V404 D405 S411 I981 | Y380-L407 HydrophobicContact CD1-CD2 3.61Å; Y380-L407 HydrophobicContact CE1-CD2 4.15Å; Y380-L407 HydrophobicContact CG-CD2 4.28Å; F403-L407 HydrophobicContact CE1-CD1 4.03Å; F403-L407 HydrophobicContact CZ-CD1 4.2Å; F403-L407 PolarHBondContact O-N 3.17Å; F403-L407 VanDerWaalsContact O-N 3.11Å; V404-L407 PolarHBondContact O-N 3.49Å; D405-L407 VanDerWaalsContact C-N 3.34Å; D405-L407 PolarHBondContact O-N 2.91Å; L407-S411 PolarHBondContact O-N 3.49Å; L407-S411 PolarHBondContact O-OG 3.01Å; L407-I981 HydrophobicContact CD2-CD1 3.69Å; L407-I981 HydrophobicContact CD2-CG1 4.12Å; L407-I981 HydrophobicContact CD2-CG2 4.46Å |
| 408 | L | 87 | Confident | 84.2 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 171.5 | -179.7 | 63 | 0 | 0 | 0 | 110.1 | V404 D405 E410 S411 E412 V978 I981 L985 | V404-L408 PolarHBondContact O-N 2.95Å; D405-L408 WeakPolarHBondContact O-CB 3.45Å; D405-L408 PolarHBondContact O-N 3.39Å; L408-E410 VanDerWaalsContact C-N 3.35Å; L408-E410 PolarHBondContact O-N 3.02Å; L408-S411 WeakPolarHBondContact O-CB 3.47Å; L408-S411 PolarHBondContact O-N 3.38Å; L408-S411 VanDerWaalsContact O-N 3.08Å; L408-E412 WeakPolarHBondContact O-CG 3.47Å; L408-E412 PolarHBondContact O-N 3.27Å; L408-V978 HydrophobicContact CD1-CG1 4.11Å; L408-I981 HydrophobicContact CB-CG2 3.87Å; L408-I981 HydrophobicContact CD1-CB 4.22Å; L408-I981 HydrophobicContact CD1-CG2 4Å; L408-L985 HydrophobicContact CD2-CD2 4.05Å |
| 409 | H | 84.6 | Confident | 84.5 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | -178.2 | -163.4 | 42.7 | 0 | 0 | 0 | 113.1 | D405 G406 S411 E412 N413 | D405-H409 PolarHBondContact O-N 3.21Å; D405-H409 VanDerWaalsContact O-N 3.15Å; G406-H409 PolarHBondContact O-N 3.43Å; H409-S411 VanDerWaalsContact C-N 3.34Å; H409-S411 PolarHBondContact O-N 3.38Å; H409-E412 IonicContact ND1-OE2 3.48Å; H409-E412 PolarHBondContact ND1-OE2 2.93Å; H409-E412 PolarHBondContact O-N 3.41Å; H409-N413 PolarHBondContact O-N 3.21Å; H409-N413 PolarHBondContact O-ND2 3.22Å |
| 410 | E | 86.5 | Confident | 84.5 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 172.9 | -168.7 | 178.8 | 178.3 | 0 | 0 | 112 | G406 L408 N413 Q414 | G406-E410 PolarHBondContact O-N 3.49Å; G406-E410 VanDerWaalsContact O-N 3.14Å; L408-E410 VanDerWaalsContact C-N 3.35Å; L408-E410 PolarHBondContact O-N 3.02Å; E410-N413 PolarHBondContact O-N 3.35Å; E410-Q414 PolarHBondContact O-N 3.27Å; E410-Q414 VanDerWaalsContact O-N 3.17Å |
| 411 | S | 85.9 | Confident | 84.8 | Confident | 7 Ų | 7 | 74.1 Ų | 74.1 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.9 | -34.1 | 178.5 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | L407 L408 H409 Q414 L415 I981 | L407-S411 PolarHBondContact O-N 3.49Å; L407-S411 PolarHBondContact O-OG 3.01Å; L408-S411 WeakPolarHBondContact O-CB 3.47Å; L408-S411 PolarHBondContact O-N 3.38Å; L408-S411 VanDerWaalsContact O-N 3.08Å; H409-S411 VanDerWaalsContact C-N 3.34Å; H409-S411 PolarHBondContact O-N 3.38Å; S411-Q414 PolarHBondContact O-N 2.81Å; S411-L415 PolarHBondContact O-N 3.4Å; S411-I981 WeakPolarHBondContact OG-CD1 3.35Å |
| 412 | E | 85 | Confident | 84.9 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 173.1 | -71.8 | 178.9 | 150.9 | 0 | 0 | 112.5 | L408 H409 L415 T416 V978 | L408-E412 WeakPolarHBondContact O-CG 3.47Å; L408-E412 PolarHBondContact O-N 3.27Å; H409-E412 IonicContact ND1-OE2 3.48Å; H409-E412 PolarHBondContact ND1-OE2 2.93Å; H409-E412 PolarHBondContact O-N 3.41Å; E412-L415 PolarHBondContact O-N 3.29Å; E412-T416 PolarHBondContact O-N 2.89Å; E412-T416 VanDerWaalsContact O-N 3.16Å; E412-T416 PolarHBondContact O-OG1 3.08Å; E412-V978 HydrophobicContact CG-CG1 4.3Å |
| 413 | N | 85.6 | Confident | 84.9 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.5 | -73.3 | -35.6 | 0 | 0 | 0 | 111.5 | H409 E410 L415 T416 E417 | H409-N413 PolarHBondContact O-N 3.21Å; H409-N413 PolarHBondContact O-ND2 3.22Å; E410-N413 PolarHBondContact O-N 3.35Å; N413-L415 PolarHBondContact O-N 3.02Å; N413-T416 WeakPolarHBondContact O-CB 3.48Å; N413-T416 PolarHBondContact O-N 3.48Å; N413-T416 VanDerWaalsContact O-N 3.15Å; N413-E417 PolarHBondContact O-N 3.44Å; N413-E417 VanDerWaalsContact O-N 3.12Å |
| 414 | Q | 86.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.2 | -71.1 | 176 | 3.1 | 0 | 0 | 112.1 | E410 S411 T416 E417 V418 | E410-Q414 PolarHBondContact O-N 3.27Å; E410-Q414 VanDerWaalsContact O-N 3.17Å; S411-Q414 PolarHBondContact O-N 2.81Å; Q414-T416 VanDerWaalsContact C-N 3.25Å; Q414-T416 PolarHBondContact O-N 3.37Å; Q414-E417 PolarHBondContact O-N 3.26Å; Q414-V418 WeakPolarHBondContact O-CG2 3.32Å; Q414-V418 PolarHBondContact O-N 3.22Å |
| 415 | L | 87.5 | Confident | 85 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 175.5 | 176.4 | 63 | 0 | 0 | 0 | 111.9 | S411 E412 N413 K419 A974 V978 | S411-L415 PolarHBondContact O-N 3.4Å; E412-L415 PolarHBondContact O-N 3.29Å; N413-L415 PolarHBondContact O-N 3.02Å; L415-K419 HydrophobicContact CD1-CD 4.46Å; L415-K419 HydrophobicContact CD1-CG 4.49Å; L415-K419 HydrophobicContact CG-CD 4.35Å; L415-K419 WeakPolarHBondContact O-CB 3.42Å; L415-K419 VanDerWaalsContact O-CG 3.3Å; L415-K419 WeakPolarHBondContact O-CG 3.44Å; L415-K419 PolarHBondContact O-N 2.86Å; L415-A974 HydrophobicContact CB-CB 4.37Å; L415-A974 HydrophobicContact CD1-CB 3.67Å; L415-V978 HydrophobicContact CB-CG2 4.42Å; L415-V978 HydrophobicContact CD2-CG2 4.37Å |
| 416 | T | 84.3 | Confident | 85.1 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 56% | 0.564 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.2 | -41.1 | 179.8 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | E412 N413 Q414 K419 L420 | E412-T416 PolarHBondContact O-N 2.89Å; E412-T416 VanDerWaalsContact O-N 3.16Å; E412-T416 PolarHBondContact O-OG1 3.08Å; N413-T416 WeakPolarHBondContact O-CB 3.48Å; N413-T416 PolarHBondContact O-N 3.48Å; N413-T416 VanDerWaalsContact O-N 3.15Å; Q414-T416 VanDerWaalsContact C-N 3.25Å; Q414-T416 PolarHBondContact O-N 3.37Å; T416-K419 PolarHBondContact O-N 3.09Å; T416-L420 PolarHBondContact O-N 3.28Å |
| 417 | E | 86.7 | Confident | 85.1 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 175.7 | -170 | 175.7 | -173.1 | 0 | 0 | 112 | N413 Q414 K419 L420 L421 | N413-E417 PolarHBondContact O-N 3.44Å; N413-E417 VanDerWaalsContact O-N 3.12Å; Q414-E417 PolarHBondContact O-N 3.26Å; E417-K419 VanDerWaalsContact C-N 3.33Å; E417-K419 PolarHBondContact O-N 3.35Å; E417-L420 PolarHBondContact O-N 3.2Å; E417-L421 HydrophobicContact CG-CD1 4.37Å; E417-L421 PolarHBondContact O-N 3.47Å |
| 418 | V | 86.8 | Confident | 85 | Confident | 41 Ų | 41 | 82.7 Ų | 82.7 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | Q414 L420 S422 N970 I971 | Q414-V418 WeakPolarHBondContact O-CG2 3.32Å; Q414-V418 PolarHBondContact O-N 3.22Å; V418-L420 PolarHBondContact O-N 3.19Å; V418-S422 VanDerWaalsContact O-CB 3.26Å; V418-S422 WeakPolarHBondContact O-CB 3.38Å; V418-S422 PolarHBondContact O-N 2.99Å; V418-S422 PolarHBondContact O-OG 3.09Å; V418-N970 HydrophobicContact CG1-CB 3.92Å; V418-I971 HydrophobicContact CG1-CG1 4.12Å |
| 419 | K | 83.3 | Confident | 85 | Confident | 105 Ų | 105 | 81.9 Ų | 81.9 | 46% | 0.457 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.7 | -78.6 | 174.1 | 178.3 | 173.7 | 0 | 112.3 | L415 T416 E417 A423 I971 | L415-K419 HydrophobicContact CD1-CD 4.46Å; L415-K419 HydrophobicContact CD1-CG 4.49Å; L415-K419 HydrophobicContact CG-CD 4.35Å; L415-K419 WeakPolarHBondContact O-CB 3.42Å; L415-K419 VanDerWaalsContact O-CG 3.3Å; L415-K419 WeakPolarHBondContact O-CG 3.44Å; L415-K419 PolarHBondContact O-N 2.86Å; T416-K419 PolarHBondContact O-N 3.09Å; E417-K419 VanDerWaalsContact C-N 3.33Å; E417-K419 PolarHBondContact O-N 3.35Å; K419-A423 WeakPolarHBondContact O-CB 3.23Å; K419-A423 PolarHBondContact O-N 3.44Å; K419-A423 VanDerWaalsContact O-N 3.11Å; K419-I971 HydrophobicContact CG-CD1 4.42Å; K419-I971 HydrophobicContact CG-CG1 4.33Å |
| 420 | L | 83.7 | Confident | 85 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 63% | 0.628 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.4 | -43.3 | -179.1 | -171.3 | 72.9 | 0 | 0 | 0 | 112.2 | T416 E417 V418 N424 | T416-L420 PolarHBondContact O-N 3.28Å; E417-L420 PolarHBondContact O-N 3.2Å; V418-L420 PolarHBondContact O-N 3.19Å; L420-N424 PolarHBondContact O-N 3.14Å |
| 421 | L | 86.7 | Confident | 84.8 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 176.9 | -71.5 | 172.1 | 0 | 0 | 0 | 111.3 | E417 A423 N424 E425 | E417-L421 HydrophobicContact CG-CD1 4.37Å; E417-L421 PolarHBondContact O-N 3.47Å; L421-A423 VanDerWaalsContact C-N 3.33Å; L421-A423 PolarHBondContact O-N 3.38Å; L421-N424 PolarHBondContact O-N 2.98Å; L421-N424 VanDerWaalsContact O-N 3.11Å; L421-E425 PolarHBondContact O-N 3.45Å; L421-E425 VanDerWaalsContact O-N 3.13Å |
| 422 | S | 84.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 81.5 Ų | 81.5 | 6% | 0.056 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | V418 N424 E425 E426 | V418-S422 VanDerWaalsContact O-CB 3.26Å; V418-S422 WeakPolarHBondContact O-CB 3.38Å; V418-S422 PolarHBondContact O-N 2.99Å; V418-S422 PolarHBondContact O-OG 3.09Å; S422-N424 VanDerWaalsContact C-N 3.3Å; S422-N424 PolarHBondContact O-N 2.88Å; S422-E425 PolarHBondContact O-N 3.24Å; S422-E426 PolarHBondContact O-N 3.46Å |
| 423 | A | 81.4 | Confident | 84.7 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K419 L421 R427 | K419-A423 WeakPolarHBondContact O-CB 3.23Å; K419-A423 PolarHBondContact O-N 3.44Å; K419-A423 VanDerWaalsContact O-N 3.11Å; L421-A423 VanDerWaalsContact C-N 3.33Å; L421-A423 PolarHBondContact O-N 3.38Å; A423-R427 WeakPolarHBondContact O-CB 3.29Å; A423-R427 PolarHBondContact O-N 3.33Å |
| 424 | N | 83.6 | Confident | 84.5 | Confident | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.353 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77 | -36 | 177.5 | -78.8 | -31 | 0 | 0 | 0 | 112.3 | L420 L421 S422 R427 K428 | L420-N424 PolarHBondContact O-N 3.14Å; L421-N424 PolarHBondContact O-N 2.98Å; L421-N424 VanDerWaalsContact O-N 3.11Å; S422-N424 VanDerWaalsContact C-N 3.3Å; S422-N424 PolarHBondContact O-N 2.88Å; N424-R427 PolarHBondContact OD1-NH1 3.38Å; N424-K428 PolarHBondContact O-N 3.43Å |
| 425 | E | 85.6 | Confident | 84.3 | Confident | 101 Ų | 101 | 78 Ų | 78 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 175.6 | -69 | -171 | 166.4 | 0 | 0 | 112 | L421 S422 R427 K428 A429 I963 | L421-E425 PolarHBondContact O-N 3.45Å; L421-E425 VanDerWaalsContact O-N 3.13Å; S422-E425 PolarHBondContact O-N 3.24Å; E425-R427 VanDerWaalsContact C-N 3.29Å; E425-R427 PolarHBondContact O-N 2.81Å; E425-K428 PolarHBondContact O-N 3.2Å; E425-A429 PolarHBondContact O-N 3.1Å; E425-A429 VanDerWaalsContact O-N 3.08Å; E425-I963 HydrophobicContact CB-CG2 3.98Å |
| 426 | E | 82 | Confident | 84.2 | Confident | 88 Ų | 88 | 77.7 Ų | 77.7 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 174.2 | -80.8 | -164.3 | 146 | 0 | 0 | 112.2 | S422 K428 A429 Q430 A964 | S422-E426 PolarHBondContact O-N 3.46Å; E426-K428 PolarHBondContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.23Å; E426-Q430 VanDerWaalsContact O-CB 3.31Å; E426-Q430 WeakPolarHBondContact O-CB 3.28Å; E426-Q430 PolarHBondContact O-N 3.07Å; E426-A964 WeakPolarHBondContact OE1-CB 3.23Å |
| 427 | R | 83.4 | Confident | 84.2 | Confident | 156 Ų | 156 | 80.4 Ų | 80.4 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 178.9 | -165.2 | -174.8 | -60.5 | 132.3 | 6 | 112 | A423 N424 E425 Q430 T431 | A423-R427 WeakPolarHBondContact O-CB 3.29Å; A423-R427 PolarHBondContact O-N 3.33Å; N424-R427 PolarHBondContact OD1-NH1 3.38Å; E425-R427 VanDerWaalsContact C-N 3.29Å; E425-R427 PolarHBondContact O-N 2.81Å; R427-Q430 PolarHBondContact O-N 3.44Å; R427-T431 PolarHBondContact O-N 3.42Å; R427-T431 VanDerWaalsContact O-N 3.1Å; R427-T431 PolarHBondContact O-OG1 3.29Å |
| 428 | K | 85.1 | Confident | 83.9 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 67% | 0.665 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 176.4 | -72.1 | 178 | -177.8 | 175.6 | 0 | 111.6 | N424 E425 E426 Q430 T431 D432 | N424-K428 PolarHBondContact O-N 3.43Å; E425-K428 PolarHBondContact O-N 3.2Å; E426-K428 PolarHBondContact O-N 3.12Å; K428-Q430 VanDerWaalsContact C-N 3.3Å; K428-Q430 PolarHBondContact O-N 3.37Å; K428-T431 WeakPolarHBondContact CA-OG1 3.49Å; K428-T431 PolarHBondContact O-N 3.24Å; K428-T431 PolarHBondContact O-OG1 3.02Å; K428-D432 PolarHBondContact O-N 2.99Å |
| 429 | A | 86.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 81 Ų | 81 | 7% | 0.066 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E425 E426 D432 V433 R960 I963 | E425-A429 PolarHBondContact O-N 3.1Å; E425-A429 VanDerWaalsContact O-N 3.08Å; E426-A429 PolarHBondContact O-N 3.23Å; A429-D432 PolarHBondContact O-N 3.23Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 3.24Å; A429-R960 HydrophobicContact CB-CB 4.13Å; A429-R960 HydrophobicContact CB-CG 3.92Å; A429-I963 HydrophobicContact CB-CD1 3.71Å |
| 430 | Q | 84.9 | Confident | 84 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.4 | -176.1 | 56.1 | 44.9 | 0 | 0 | 112.2 | E426 R427 K428 D432 V433 D434 | E426-Q430 VanDerWaalsContact O-CB 3.31Å; E426-Q430 WeakPolarHBondContact O-CB 3.28Å; E426-Q430 PolarHBondContact O-N 3.07Å; R427-Q430 PolarHBondContact O-N 3.44Å; K428-Q430 VanDerWaalsContact C-N 3.3Å; K428-Q430 PolarHBondContact O-N 3.37Å; Q430-D432 VanDerWaalsContact C-N 3.29Å; Q430-D432 PolarHBondContact O-N 3.03Å; Q430-V433 WeakPolarHBondContact O-CB 3.29Å; Q430-V433 PolarHBondContact O-N 2.91Å; Q430-V433 VanDerWaalsContact O-N 3.15Å; Q430-D434 PolarHBondContact NE2-OD1 3.48Å; Q430-D434 PolarHBondContact NE2-OD2 2.71Å; Q430-D434 PolarHBondContact O-N 3.1Å |
| 431 | T | 82.5 | Confident | 83.8 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 175.8 | 38.7 | 0 | 0 | 0 | 0 | 113 | R427 K428 D434 L435 | R427-T431 PolarHBondContact O-N 3.42Å; R427-T431 VanDerWaalsContact O-N 3.1Å; R427-T431 PolarHBondContact O-OG1 3.29Å; K428-T431 WeakPolarHBondContact CA-OG1 3.49Å; K428-T431 PolarHBondContact O-N 3.24Å; K428-T431 PolarHBondContact O-OG1 3.02Å; T431-D434 PolarHBondContact O-N 3.46Å; T431-L435 WeakPolarHBondContact O-CG 3.41Å; T431-L435 PolarHBondContact O-N 3.05Å; T431-L435 VanDerWaalsContact O-N 3.12Å |
| 432 | D | 84.2 | Confident | 83.6 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 175.4 | -72.2 | -15.2 | 0 | 0 | 0 | 111.9 | K428 A429 Q430 V436 | K428-D432 PolarHBondContact O-N 2.99Å; A429-D432 PolarHBondContact O-N 3.23Å; Q430-D432 VanDerWaalsContact C-N 3.29Å; Q430-D432 PolarHBondContact O-N 3.03Å; D432-V436 WeakPolarHBondContact O-CG2 3.26Å; D432-V436 PolarHBondContact O-N 3.31Å |
| 433 | V | 84.5 | Confident | 83.7 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | A429 Q430 V436 R437 A956 R960 | A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 3.24Å; Q430-V433 WeakPolarHBondContact O-CB 3.29Å; Q430-V433 PolarHBondContact O-N 2.91Å; Q430-V433 VanDerWaalsContact O-N 3.15Å; V433-V436 PolarHBondContact O-N 3.33Å; V433-R437 WeakPolarHBondContact O-CB 3.42Å; V433-R437 PolarHBondContact O-N 3.18Å; V433-A956 HydrophobicContact CG2-CB 3.95Å; V433-R960 HydrophobicContact CG2-CB 4.03Å |
| 434 | D | 80.5 | Confident | 83.9 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | -178.6 | -68.9 | -30.7 | 0 | 0 | 0 | 111.9 | Q430 T431 V436 R437 D438 | Q430-D434 PolarHBondContact NE2-OD1 3.48Å; Q430-D434 PolarHBondContact NE2-OD2 2.71Å; Q430-D434 PolarHBondContact O-N 3.1Å; T431-D434 PolarHBondContact O-N 3.46Å; D434-V436 PolarHBondContact O-N 3.4Å; D434-R437 WeakPolarHBondContact O-CB 3.28Å; D434-R437 PolarHBondContact O-N 3.14Å; D434-D438 PolarHBondContact O-N 3.02Å |
| 435 | L | 83.6 | Confident | 83.8 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 63% | 0.628 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.4 | -44.7 | 175.8 | -73.1 | 171.5 | 0 | 0 | 0 | 112.5 | T431 E439 | T431-L435 WeakPolarHBondContact O-CG 3.41Å; T431-L435 PolarHBondContact O-N 3.05Å; T431-L435 VanDerWaalsContact O-N 3.12Å; L435-E439 PolarHBondContact O-N 3.42Å |
| 436 | V | 85.2 | Confident | 83.7 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.7 | -31 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | D432 V433 D434 E439 L440 V949 R952 W953 | D432-V436 WeakPolarHBondContact O-CG2 3.26Å; D432-V436 PolarHBondContact O-N 3.31Å; V433-V436 PolarHBondContact O-N 3.33Å; D434-V436 PolarHBondContact O-N 3.4Å; V436-E439 PolarHBondContact O-N 3.22Å; V436-L440 WeakPolarHBondContact O-CB 3.23Å; V436-L440 PolarHBondContact O-N 3.16Å; V436-V949 HydrophobicContact CG1-CG1 4.36Å; V436-R952 HydrophobicContact CG1-CB 3.87Å; V436-W953 HydrophobicContact CG1-CB 3.81Å |
| 437 | R | 83.5 | Confident | 83.9 | Confident | 148 Ų | 148 | 74.8 Ų | 74.8 | 56% | 0.558 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 173.4 | 172.5 | -174.6 | 153.8 | -174.7 | -3.6 | 111.3 | V433 D434 E439 L440 A441 | V433-R437 WeakPolarHBondContact O-CB 3.42Å; V433-R437 PolarHBondContact O-N 3.18Å; D434-R437 WeakPolarHBondContact O-CB 3.28Å; D434-R437 PolarHBondContact O-N 3.14Å; R437-E439 VanDerWaalsContact C-N 3.35Å; R437-L440 PolarHBondContact O-N 3.16Å; R437-A441 VanDerWaalsContact O-CB 3.32Å; R437-A441 WeakPolarHBondContact O-CB 3.25Å; R437-A441 PolarHBondContact O-N 2.81Å |
| 438 | D | 80.7 | Confident | 83.9 | Confident | 105 Ų | 105 | 72 Ų | 72 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 176.8 | -74.1 | -13.2 | 0 | 0 | 0 | 111.3 | D434 A441 A442 | D434-D438 PolarHBondContact O-N 3.02Å; D438-A441 PolarHBondContact O-N 3.29Å; D438-A442 WeakPolarHBondContact O-CB 3.16Å; D438-A442 PolarHBondContact O-N 3.48Å |
| 439 | E | 86.2 | Confident | 83.8 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 172.8 | -166 | 178.5 | 170.7 | 0 | 0 | 111.6 | L435 V436 R437 L443 V949 R952 | L435-E439 PolarHBondContact O-N 3.42Å; V436-E439 PolarHBondContact O-N 3.22Å; R437-E439 VanDerWaalsContact C-N 3.35Å; E439-L443 WeakPolarHBondContact O-CB 3.5Å; E439-L443 PolarHBondContact O-N 3.33Å; E439-L443 VanDerWaalsContact O-N 3.12Å; E439-V949 HydrophobicContact CB-CG1 4.22Å; E439-V949 HydrophobicContact CG-CG1 4.08Å; E439-V949 HydrophobicContact CG-CG2 4.26Å; E439-R952 VanDerWaalsContact CD-NH1 3.26Å; E439-R952 IonicContact OE1-CZ 2.75Å; E439-R952 IonicContact OE1-NH1 2.71Å; E439-R952 PolarHBondContact OE1-NH1 3.15Å; E439-R952 IonicContact OE2-CZ 3.94Å; E439-R952 IonicContact OE2-NH1 3.27Å; E439-R952 PolarHBondContact OE2-NH1 3.25Å; E439-R952 IonicContact OE2-NH2 3.44Å; E439-R952 PolarHBondContact OE2-NH2 3.36Å |
| 440 | L | 85.6 | Confident | 83.7 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 176.8 | -174 | 68.5 | 0 | 0 | 0 | 112.3 | V436 R437 L443 K444 L946 V949 W953 | V436-L440 WeakPolarHBondContact O-CB 3.23Å; V436-L440 PolarHBondContact O-N 3.16Å; R437-L440 PolarHBondContact O-N 3.16Å; L440-L443 PolarHBondContact O-N 3.48Å; L440-K444 HydrophobicContact CG-CD 4.28Å; L440-K444 WeakPolarHBondContact O-CB 3.49Å; L440-K444 WeakPolarHBondContact O-CG 3.07Å; L440-K444 PolarHBondContact O-N 3.09Å; L440-L946 HydrophobicContact CD1-CD1 3.91Å; L440-V949 HydrophobicContact CB-CG1 3.86Å; L440-V949 HydrophobicContact CD1-CB 4.4Å; L440-V949 HydrophobicContact CD1-CG1 4.01Å; L440-W953 HydrophobicContact CD2-CB 4.47Å; L440-W953 HydrophobicContact CD2-CD2 4.34Å; L440-W953 HydrophobicContact CD2-CG 4.15Å |
| 441 | A | 80.7 | Confident | 83.7 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R437 D438 L443 K444 Q445 | R437-A441 VanDerWaalsContact O-CB 3.32Å; R437-A441 WeakPolarHBondContact O-CB 3.25Å; R437-A441 PolarHBondContact O-N 2.81Å; D438-A441 PolarHBondContact O-N 3.29Å; A441-L443 VanDerWaalsContact C-N 3.33Å; A441-L443 PolarHBondContact O-N 3.44Å; A441-K444 PolarHBondContact O-N 3.31Å; A441-Q445 VanDerWaalsContact O-CB 3.31Å; A441-Q445 WeakPolarHBondContact O-CB 3.37Å; A441-Q445 PolarHBondContact O-N 3.4Å |
| 442 | A | 82.2 | Confident | 83.7 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D438 Q445 K446 | D438-A442 WeakPolarHBondContact O-CB 3.16Å; D438-A442 PolarHBondContact O-N 3.48Å; A442-Q445 PolarHBondContact O-N 3.09Å; A442-K446 PolarHBondContact O-N 2.82Å |
| 443 | L | 86.6 | Confident | 83.6 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 178.5 | -171.5 | 64.6 | 0 | 0 | 0 | 112.4 | E439 L440 A441 Q445 K446 I447 L941 Q945 L946 V949 | E439-L443 WeakPolarHBondContact O-CB 3.5Å; E439-L443 PolarHBondContact O-N 3.33Å; E439-L443 VanDerWaalsContact O-N 3.12Å; L440-L443 PolarHBondContact O-N 3.48Å; A441-L443 VanDerWaalsContact C-N 3.33Å; A441-L443 PolarHBondContact O-N 3.44Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.48Å; L443-K446 WeakPolarHBondContact O-CB 3.43Å; L443-K446 PolarHBondContact O-N 3.31Å; L443-I447 HydrophobicContact CG-CD1 4.4Å; L443-I447 WeakPolarHBondContact O-CG1 3.11Å; L443-I447 PolarHBondContact O-N 3.15Å; L443-L941 HydrophobicContact CD1-CD2 4.05Å; L443-Q945 HydrophobicContact CD1-CB 4.09Å; L443-Q945 HydrophobicContact CD2-CB 3.85Å; L443-L946 HydrophobicContact CD2-CB 4.19Å; L443-L946 HydrophobicContact CD2-CD1 4.24Å; L443-V949 HydrophobicContact CD2-CB 4.38Å; L443-V949 HydrophobicContact CD2-CG2 4.02Å |
| 444 | K | 84.3 | Confident | 83.8 | Confident | 111 Ų | 111 | 75 Ų | 75 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 174.9 | -79 | -177.6 | 176.2 | -178 | 0 | 112 | L440 A441 K446 I447 Q448 L946 | L440-K444 HydrophobicContact CG-CD 4.28Å; L440-K444 WeakPolarHBondContact O-CB 3.49Å; L440-K444 WeakPolarHBondContact O-CG 3.07Å; L440-K444 PolarHBondContact O-N 3.09Å; A441-K444 PolarHBondContact O-N 3.31Å; K444-K446 VanDerWaalsContact C-N 3.33Å; K444-K446 PolarHBondContact O-N 3.42Å; K444-I447 PolarHBondContact O-N 3.29Å; K444-Q448 WeakPolarHBondContact O-CB 3.47Å; K444-Q448 PolarHBondContact O-N 2.78Å; K444-L946 HydrophobicContact CG-CD1 4.26Å |
| 445 | Q | 81.7 | Confident | 83.8 | Confident | 132 Ų | 132 | 76.3 Ų | 76.3 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.6 | -39.7 | 176 | -171.6 | -177.6 | 1.1 | 0 | 0 | 111.3 | A441 A442 L443 Q448 T449 | A441-Q445 VanDerWaalsContact O-CB 3.31Å; A441-Q445 WeakPolarHBondContact O-CB 3.37Å; A441-Q445 PolarHBondContact O-N 3.4Å; A442-Q445 PolarHBondContact O-N 3.09Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.48Å; Q445-Q448 PolarHBondContact O-N 3.25Å; Q445-T449 WeakPolarHBondContact O-CB 3.5Å; Q445-T449 PolarHBondContact O-N 2.8Å; Q445-T449 PolarHBondContact O-OG1 2.7Å |
| 446 | K | 84.1 | Confident | 83.8 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 174.5 | -168.2 | 179.3 | -179.5 | -174.5 | 0 | 111.5 | A442 L443 K444 Q448 T449 I450 L941 | A442-K446 PolarHBondContact O-N 2.82Å; L443-K446 WeakPolarHBondContact O-CB 3.43Å; L443-K446 PolarHBondContact O-N 3.31Å; K444-K446 VanDerWaalsContact C-N 3.33Å; K444-K446 PolarHBondContact O-N 3.42Å; K446-Q448 PolarHBondContact O-N 3.42Å; K446-T449 PolarHBondContact O-N 3.36Å; K446-I450 HydrophobicContact CG-CD1 4.32Å; K446-I450 PolarHBondContact O-N 3.08Å; K446-I450 VanDerWaalsContact O-N 3.12Å; K446-L941 HydrophobicContact CD-CD1 4.01Å; K446-L941 HydrophobicContact CD-CD2 4.31Å; K446-L941 HydrophobicContact CG-CD1 4.05Å |
| 447 | I | 85.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.4 | -67.6 | 169 | 0 | 0 | 0 | 110.9 | L443 K444 T449 I450 K451 L941 E942 L946 | L443-I447 HydrophobicContact CG-CD1 4.4Å; L443-I447 WeakPolarHBondContact O-CG1 3.11Å; L443-I447 PolarHBondContact O-N 3.15Å; K444-I447 PolarHBondContact O-N 3.29Å; I447-T449 VanDerWaalsContact C-N 3.28Å; I447-T449 PolarHBondContact O-N 3.11Å; I447-I450 PolarHBondContact O-N 3.28Å; I447-K451 WeakPolarHBondContact O-CB 3.37Å; I447-K451 PolarHBondContact O-N 3.41Å; I447-L941 HydrophobicContact CD1-CB 4.2Å; I447-L941 HydrophobicContact CG1-CB 3.81Å; I447-L941 HydrophobicContact CG1-CD1 4.31Å; I447-E942 HydrophobicContact CD1-CG 4.19Å; I447-E942 HydrophobicContact CG2-CG 4.03Å; I447-L946 HydrophobicContact CD1-CB 4.17Å; I447-L946 HydrophobicContact CD1-CD1 4.3Å; I447-L946 HydrophobicContact CD1-CD2 4.07Å; I447-L946 HydrophobicContact CD1-CG 4.42Å |
| 448 | Q | 84.3 | Confident | 83.7 | Confident | 97 Ų | 97 | 73 Ų | 73 | 45% | 0.453 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 179.7 | -168.7 | 179.7 | 25.9 | 0 | 0 | 112.2 | K444 Q445 K446 R452 | K444-Q448 WeakPolarHBondContact O-CB 3.47Å; K444-Q448 PolarHBondContact O-N 2.78Å; Q445-Q448 PolarHBondContact O-N 3.25Å; K446-Q448 PolarHBondContact O-N 3.42Å; Q448-R452 VanDerWaalsContact NE2-NH2 3.18Å; Q448-R452 WeakPolarHBondContact O-CB 3.22Å; Q448-R452 WeakPolarHBondContact O-CG 2.95Å; Q448-R452 PolarHBondContact O-N 3.37Å |
| 449 | T | 82.4 | Confident | 83.8 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 177.4 | -56 | 0 | 0 | 0 | 0 | 111 | Q445 K446 I447 K451 R452 N453 | Q445-T449 WeakPolarHBondContact O-CB 3.5Å; Q445-T449 PolarHBondContact O-N 2.8Å; Q445-T449 PolarHBondContact O-OG1 2.7Å; K446-T449 PolarHBondContact O-N 3.36Å; I447-T449 VanDerWaalsContact C-N 3.28Å; I447-T449 PolarHBondContact O-N 3.11Å; T449-K451 PolarHBondContact O-N 2.83Å; T449-R452 PolarHBondContact O-N 3.25Å; T449-N453 VanDerWaalsContact O-CG 3.31Å; T449-N453 PolarHBondContact O-N 3.49Å; T449-N453 VanDerWaalsContact O-N 3.09Å; T449-N453 PolarHBondContact O-OD1 3.1Å |
| 450 | I | 85.1 | Confident | 83.6 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.3 | -66 | 166.4 | 0 | 0 | 0 | 110.7 | K446 I447 R452 N453 Y454 L934 E937 L938 L941 | K446-I450 HydrophobicContact CG-CD1 4.32Å; K446-I450 PolarHBondContact O-N 3.08Å; K446-I450 VanDerWaalsContact O-N 3.12Å; I447-I450 PolarHBondContact O-N 3.28Å; I450-R452 PolarHBondContact O-N 3.19Å; I450-N453 PolarHBondContact O-N 3.36Å; I450-Y454 WeakPolarHBondContact O-CB 3.46Å; I450-Y454 PolarHBondContact O-N 3.26Å; I450-L934 HydrophobicContact CG2-CB 4.41Å; I450-L934 HydrophobicContact CG2-CD2 4.18Å; I450-E937 HydrophobicContact CD1-CB 4.36Å; I450-L938 HydrophobicContact CB-CD1 4.38Å; I450-L938 HydrophobicContact CG2-CB 4.02Å; I450-L938 HydrophobicContact CG2-CD1 3.96Å; I450-L941 HydrophobicContact CD1-CD1 3.43Å; I450-L941 VanDerWaalsContact CD1-CD1 3.43Å |
| 451 | K | 84.1 | Confident | 83.4 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 177.6 | -160.9 | 166.1 | -172 | 158.7 | 0 | 112.9 | I447 T449 Y454 N455 L938 | I447-K451 WeakPolarHBondContact O-CB 3.37Å; I447-K451 PolarHBondContact O-N 3.41Å; T449-K451 PolarHBondContact O-N 2.83Å; K451-Y454 PolarHBondContact O-N 3.39Å; K451-N455 WeakPolarHBondContact O-CB 3.33Å; K451-N455 VanDerWaalsContact O-CG 3.27Å; K451-N455 PolarHBondContact O-N 3.35Å; K451-L938 HydrophobicContact CB-CD1 3.63Å; K451-L938 HydrophobicContact CD-CD1 4.5Å; K451-L938 HydrophobicContact CG-CD1 4.04Å |
| 452 | R | 83.1 | Confident | 83.4 | Confident | 152 Ų | 152 | 74.1 Ų | 74.1 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 174.4 | -79.6 | 177.2 | -177.6 | 165.6 | 1.7 | 111.3 | Q448 T449 I450 Y454 N455 Q456 | Q448-R452 VanDerWaalsContact NE2-NH2 3.18Å; Q448-R452 WeakPolarHBondContact O-CB 3.22Å; Q448-R452 WeakPolarHBondContact O-CG 2.95Å; Q448-R452 PolarHBondContact O-N 3.37Å; T449-R452 PolarHBondContact O-N 3.25Å; I450-R452 PolarHBondContact O-N 3.19Å; R452-Y454 VanDerWaalsContact C-N 3.33Å; R452-Y454 PolarHBondContact O-N 3.5Å; R452-N455 PolarHBondContact O-N 3.24Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.14Å |
| 453 | N | 82.3 | Confident | 83.3 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 178.1 | -67.3 | -8.6 | 0 | 0 | 0 | 111.2 | T449 I450 Q456 Q457 L934 | T449-N453 VanDerWaalsContact O-CG 3.31Å; T449-N453 PolarHBondContact O-N 3.49Å; T449-N453 VanDerWaalsContact O-N 3.09Å; T449-N453 PolarHBondContact O-OD1 3.1Å; I450-N453 PolarHBondContact O-N 3.36Å; N453-Q456 PolarHBondContact O-N 2.71Å; N453-Q457 WeakPolarHBondContact O-CG 3.1Å; N453-Q457 PolarHBondContact O-N 3.21Å; N453-L934 HydrophobicContact CB-CD1 3.78Å; N453-L934 HydrophobicContact CB-CD2 4.31Å |
| 454 | Y | 87.4 | Confident | 83 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.5 | 175.3 | -101.3 | 0 | 0 | 0 | 111.8 | I450 K451 R452 Q456 Q457 S458 C931 L934 K935 | I450-Y454 WeakPolarHBondContact O-CB 3.46Å; I450-Y454 PolarHBondContact O-N 3.26Å; K451-Y454 PolarHBondContact O-N 3.39Å; R452-Y454 VanDerWaalsContact C-N 3.33Å; R452-Y454 PolarHBondContact O-N 3.5Å; Y454-Q456 VanDerWaalsContact C-N 3.34Å; Y454-Q456 PolarHBondContact O-N 2.75Å; Y454-Q457 PolarHBondContact O-N 2.95Å; Y454-S458 WeakPolarHBondContact O-CB 3.44Å; Y454-S458 PolarHBondContact O-N 3.5Å; Y454-C931 HydrophobicContact CD2-CB 4.34Å; Y454-C931 WeakPolarHBondContact CD2-O 3.38Å; Y454-C931 HydrophobicContact CE2-CB 4.08Å; Y454-C931 WeakPolarHBondContact CE2-O 3.46Å; Y454-L934 HydrophobicContact CD2-CB 4.28Å; Y454-K935 HydrophobicContact CD2-CB 4.32Å; Y454-K935 HydrophobicContact CE2-CB 3.99Å; Y454-K935 HydrophobicContact CE2-CD 4.44Å; Y454-K935 HydrophobicContact CE2-CG 4.44Å |
| 455 | N | 82.1 | Confident | 82.7 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 179.6 | -74.5 | -9.8 | 0 | 0 | 0 | 112.2 | K451 R452 S458 C459 | K451-N455 WeakPolarHBondContact O-CB 3.33Å; K451-N455 VanDerWaalsContact O-CG 3.27Å; K451-N455 PolarHBondContact O-N 3.35Å; R452-N455 PolarHBondContact O-N 3.24Å; N455-S458 PolarHBondContact O-N 3.15Å; N455-C459 WeakPolarHBondContact O-CB 3.48Å; N455-C459 PolarHBondContact O-N 3.09Å; N455-C459 PolarHBondContact O-SG 3.03Å |
| 456 | Q | 83.6 | Confident | 82.6 | Confident | 132 Ų | 132 | 73.8 Ų | 73.8 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.5 | -51 | 178.5 | -176.6 | 175.7 | -8.2 | 0 | 0 | 111 | R452 N453 Y454 S458 C459 E460 | R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.14Å; N453-Q456 PolarHBondContact O-N 2.71Å; Y454-Q456 VanDerWaalsContact C-N 3.34Å; Y454-Q456 PolarHBondContact O-N 2.75Å; Q456-S458 VanDerWaalsContact C-N 3.33Å; Q456-S458 PolarHBondContact O-N 3.27Å; Q456-C459 PolarHBondContact O-N 3.06Å; Q456-E460 PolarHBondContact O-N 3.14Å |
| 457 | Q | 83.3 | Confident | 82.1 | Confident | 44 Ų | 44 | 76.5 Ų | 76.5 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 178.7 | -69.5 | -178.7 | -12.2 | 0 | 0 | 112.4 | N453 Y454 E460 K461 L927 | N453-Q457 WeakPolarHBondContact O-CG 3.1Å; N453-Q457 PolarHBondContact O-N 3.21Å; Y454-Q457 PolarHBondContact O-N 2.95Å; Q457-E460 PolarHBondContact O-N 3.17Å; Q457-K461 WeakPolarHBondContact O-CB 3.4Å; Q457-K461 PolarHBondContact O-N 3.12Å; Q457-L927 HydrophobicContact CB-CD2 4.11Å; Q457-L927 HydrophobicContact CG-CD2 4.14Å |
| 458 | S | 82.9 | Confident | 81.6 | Confident | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 112 | Y454 N455 Q456 K461 V462 C931 | Y454-S458 WeakPolarHBondContact O-CB 3.44Å; Y454-S458 PolarHBondContact O-N 3.5Å; N455-S458 PolarHBondContact O-N 3.15Å; Q456-S458 VanDerWaalsContact C-N 3.33Å; Q456-S458 PolarHBondContact O-N 3.27Å; S458-K461 WeakPolarHBondContact O-CB 3.11Å; S458-K461 PolarHBondContact O-N 3.32Å; S458-V462 WeakPolarHBondContact O-CG2 3.35Å; S458-V462 PolarHBondContact O-N 3.43Å; S458-C931 PolarHBondContact N-SG 2.89Å |
| 459 | C | 82.1 | Confident | 81 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 52% | 0.52 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 173.3 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | N455 Q456 K461 V462 N463 | N455-C459 WeakPolarHBondContact O-CB 3.48Å; N455-C459 PolarHBondContact O-N 3.09Å; N455-C459 PolarHBondContact O-SG 3.03Å; Q456-C459 PolarHBondContact O-N 3.06Å; C459-K461 VanDerWaalsContact C-N 3.34Å; C459-V462 PolarHBondContact O-N 3.05Å; C459-N463 WeakPolarHBondContact O-CB 3.22Å; C459-N463 PolarHBondContact O-N 3.2Å; C459-N463 PolarHBondContact O-ND2 2.98Å |
| 460 | E | 81.5 | Confident | 80.2 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 177.2 | -160.9 | 173.9 | -179.8 | 0 | 0 | 111.1 | Q456 Q457 N463 I464 L927 | Q456-E460 PolarHBondContact O-N 3.14Å; Q457-E460 PolarHBondContact O-N 3.17Å; E460-N463 PolarHBondContact O-N 3.17Å; E460-I464 HydrophobicContact CG-CD1 4.44Å; E460-I464 WeakPolarHBondContact O-CG1 3.37Å; E460-I464 PolarHBondContact O-N 2.83Å; E460-L927 HydrophobicContact CB-CD1 3.9Å; E460-L927 HydrophobicContact CB-CD2 4.25Å; E460-L927 HydrophobicContact CG-CD1 3.67Å; E460-L927 HydrophobicContact CG-CD2 4.39Å |
| 461 | K | 81.7 | Confident | 79.1 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 22% | 0.222 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.4 | -54.8 | 172 | -178.5 | -175.2 | 168.1 | 166.8 | 0 | 111.4 | Q457 S458 C459 N463 I464 E465 L924 L927 T928 | Q457-K461 WeakPolarHBondContact O-CB 3.4Å; Q457-K461 PolarHBondContact O-N 3.12Å; S458-K461 WeakPolarHBondContact O-CB 3.11Å; S458-K461 PolarHBondContact O-N 3.32Å; C459-K461 VanDerWaalsContact C-N 3.34Å; K461-N463 VanDerWaalsContact C-N 3.3Å; K461-N463 PolarHBondContact O-N 2.71Å; K461-I464 PolarHBondContact O-N 2.97Å; K461-E465 WeakPolarHBondContact CE-OE1 3.41Å; K461-E465 IonicContact NZ-OE1 2.72Å; K461-E465 WeakPolarHBondContact O-CG 3.38Å; K461-E465 PolarHBondContact O-N 3.22Å; K461-L924 HydrophobicContact CG-CD1 3.67Å; K461-L927 HydrophobicContact CB-CB 4.26Å; K461-T928 WeakPolarHBondContact CE-OG1 3.45Å; K461-T928 PolarHBondContact NZ-OG1 2.93Å |
| 462 | V | 81.5 | Confident | 78.2 | Confident | 55 Ų | 55 | 85.5 Ų | 85.5 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | -180 | 171.3 | 0 | 0 | 0 | 0 | 112 | S458 C459 E465 K466 | S458-V462 WeakPolarHBondContact O-CG2 3.35Å; S458-V462 PolarHBondContact O-N 3.43Å; C459-V462 PolarHBondContact O-N 3.05Å; V462-E465 PolarHBondContact O-N 3.14Å; V462-K466 HydrophobicContact CG1-CD 4.35Å; V462-K466 WeakPolarHBondContact O-CG 3.38Å; V462-K466 PolarHBondContact O-N 3.46Å |
| 463 | N | 79.9 | Confident | 77.6 | Confident | 93 Ų | 93 | 80.7 Ų | 80.7 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 177.5 | -76.6 | -20.9 | 0 | 0 | 0 | 112.2 | C459 E460 K461 R467 | C459-N463 WeakPolarHBondContact O-CB 3.22Å; C459-N463 PolarHBondContact O-N 3.2Å; C459-N463 PolarHBondContact O-ND2 2.98Å; E460-N463 PolarHBondContact O-N 3.17Å; K461-N463 VanDerWaalsContact C-N 3.3Å; K461-N463 PolarHBondContact O-N 2.71Å; N463-R467 WeakPolarHBondContact O-CG 3.19Å; N463-R467 PolarHBondContact O-N 2.8Å |
| 464 | I | 80.8 | Confident | 77.1 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.7 | -41 | 176 | -69 | 179.2 | 0 | 0 | 0 | 110.7 | E460 K461 K466 R467 L468 L920 D923 L924 L927 | E460-I464 HydrophobicContact CG-CD1 4.44Å; E460-I464 WeakPolarHBondContact O-CG1 3.37Å; E460-I464 PolarHBondContact O-N 2.83Å; K461-I464 PolarHBondContact O-N 2.97Å; I464-K466 PolarHBondContact O-N 3.25Å; I464-R467 PolarHBondContact O-N 2.81Å; I464-L468 HydrophobicContact CG2-CD1 3.8Å; I464-L468 PolarHBondContact O-N 3.13Å; I464-L468 VanDerWaalsContact O-N 3.14Å; I464-L920 HydrophobicContact CG1-CD2 4.21Å; I464-L920 HydrophobicContact CG2-CB 4.14Å; I464-L920 HydrophobicContact CG2-CD2 4.43Å; I464-L920 WeakPolarHBondContact CG2-O 3.44Å; I464-D923 HydrophobicContact CD1-CB 3.68Å; I464-L924 HydrophobicContact CB-CD1 4.45Å; I464-L924 HydrophobicContact CG2-CB 3.86Å; I464-L924 HydrophobicContact CG2-CD1 4.21Å; I464-L927 HydrophobicContact CD1-CD1 3.67Å |
| 465 | E | 78.4 | Confident | 76.5 | Confident | 75 Ų | 75 | 78.4 Ų | 78.4 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 173.9 | -72 | 172.1 | 164.6 | 0 | 0 | 111.3 | K461 V462 R467 L468 E469 L924 | K461-E465 WeakPolarHBondContact CE-OE1 3.41Å; K461-E465 IonicContact NZ-OE1 2.72Å; K461-E465 WeakPolarHBondContact O-CG 3.38Å; K461-E465 PolarHBondContact O-N 3.22Å; V462-E465 PolarHBondContact O-N 3.14Å; E465-R467 VanDerWaalsContact C-N 3.29Å; E465-R467 PolarHBondContact O-N 3.44Å; E465-L468 PolarHBondContact O-N 3.26Å; E465-L468 VanDerWaalsContact O-N 3.12Å; E465-E469 PolarHBondContact O-N 3.42Å; E465-L924 HydrophobicContact CG-CD1 3.45Å; E465-L924 VanDerWaalsContact CG-CD1 3.45Å; E465-L924 HydrophobicContact CG-CD2 4Å; E465-L924 HydrophobicContact CG-CG 4.38Å |
| 466 | K | 78.5 | Confident | 76.2 | Confident | 130 Ų | 130 | 80 Ų | 80 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.3 | -32.7 | 176.9 | -76.1 | 179.7 | 178.7 | -178.3 | 0 | 113.9 | V462 I464 L468 | V462-K466 HydrophobicContact CG1-CD 4.35Å; V462-K466 WeakPolarHBondContact O-CG 3.38Å; V462-K466 PolarHBondContact O-N 3.46Å; I464-K466 PolarHBondContact O-N 3.25Å; K466-L468 VanDerWaalsContact C-N 3.34Å |
| 467 | R | 73.7 | Confident | 76 | Confident | 169 Ų | 169 | 80.3 Ų | 80.3 | 64% | 0.638 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72.4 | -30.8 | 177.4 | -75.8 | 177.1 | 174.4 | -168.3 | -2.2 | 112 | N463 I464 E465 L920 | N463-R467 WeakPolarHBondContact O-CG 3.19Å; N463-R467 PolarHBondContact O-N 2.8Å; I464-R467 PolarHBondContact O-N 2.81Å; E465-R467 VanDerWaalsContact C-N 3.29Å; E465-R467 PolarHBondContact O-N 3.44Å; R467-L920 HydrophobicContact CB-CD1 3.84Å |
| 468 | L | 74.7 | Confident | 75.8 | Confident | 23 Ų | 23 | 79 Ų | 79 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -83.1 | -15.7 | -177 | -79.1 | 161.4 | 0 | 0 | 0 | 114.5 | I464 E465 K466 N470 E471 N917 L920 K921 L924 | I464-L468 HydrophobicContact CG2-CD1 3.8Å; I464-L468 PolarHBondContact O-N 3.13Å; I464-L468 VanDerWaalsContact O-N 3.14Å; E465-L468 PolarHBondContact O-N 3.26Å; E465-L468 VanDerWaalsContact O-N 3.12Å; K466-L468 VanDerWaalsContact C-N 3.34Å; L468-N470 PolarHBondContact O-N 3.3Å; L468-E471 PolarHBondContact O-N 3.14Å; L468-N917 HydrophobicContact CD2-CB 4.32Å; L468-N917 WeakPolarHBondContact CD2-O 3.5Å; L468-L920 HydrophobicContact CD1-CB 4.14Å; L468-L920 HydrophobicContact CD2-CB 4.2Å; L468-L920 HydrophobicContact CG-CB 4.11Å; L468-K921 HydrophobicContact CD1-CG 3.93Å; L468-K921 HydrophobicContact CD2-CD 4.44Å; L468-K921 HydrophobicContact CD2-CG 3.61Å; L468-K921 HydrophobicContact CG-CG 4.44Å; L468-L924 HydrophobicContact CD1-CD2 4.28Å |
| 469 | E | 71.6 | Confident | 75.8 | Confident | 158 Ų | 158 | 82 Ų | 82 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17.6 | -178.3 | -83.3 | 177.9 | 158.2 | 0 | 0 | 114.5 | E465 | E465-E469 PolarHBondContact O-N 3.42Š|
| 470 | N | 65.2 | Low | 75.7 | Confident | 102 Ų | 102 | 84.1 Ų | 84.1 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.3 | -175.1 | -67.9 | -33.7 | 0 | 0 | 0 | 115.7 | L468 H472 S473 L474 | L468-N470 PolarHBondContact O-N 3.3Å; N470-H472 PolarHBondContact O-N 3.49Å; N470-S473 PolarHBondContact O-N 2.67Å; N470-S473 PolarHBondContact O-OG 3.26Å; N470-L474 PolarHBondContact O-N 2.99Å |
| 471 | E | 62 | Low | 75.7 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | -168.9 | -170.8 | -169.4 | -172.6 | 0 | 0 | 114.2 | L468 S473 L474 N475 K921 | L468-E471 PolarHBondContact O-N 3.14Å; E471-S473 VanDerWaalsContact C-N 3.31Å; E471-S473 PolarHBondContact O-N 2.95Å; E471-L474 WeakPolarHBondContact O-CB 3.5Å; E471-L474 PolarHBondContact O-N 3.49Å; E471-L474 VanDerWaalsContact O-N 3.15Å; E471-N475 PolarHBondContact O-N 2.92Å; E471-K921 IonicContact OE1-NZ 3.37Å; E471-K921 PolarHBondContact OE1-NZ 3.14Å; E471-K921 WeakPolarHBondContact OE2-CE 3.33Å; E471-K921 IonicContact OE2-NZ 2.72Å; E471-K921 PolarHBondContact OE2-NZ 3.36Å |
| 472 | H | 65.5 | Low | 75.6 | Confident | 158 Ų | 158 | 82.2 Ų | 82.2 | 73% | 0.731 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | -179 | -93.3 | 68.3 | 0 | 0 | 0 | 112.2 | N470 L474 E476 | N470-H472 PolarHBondContact O-N 3.49Å; H472-L474 PolarHBondContact O-N 3.21Å; H472-E476 PolarHBondContact O-N 3.27Å |
| 473 | S | 71.4 | Confident | 75.7 | Confident | 52 Ų | 52 | 84.4 Ų | 84.4 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.5 | -29.4 | 178.2 | 81.5 | 0 | 0 | 0 | 0 | 112.2 | N470 E471 R477 | N470-S473 PolarHBondContact O-N 2.67Å; N470-S473 PolarHBondContact O-OG 3.26Å; E471-S473 VanDerWaalsContact C-N 3.31Å; E471-S473 PolarHBondContact O-N 2.95Å; S473-R477 WeakPolarHBondContact O-CB 3.48Å; S473-R477 WeakPolarHBondContact O-CD 3.47Å; S473-R477 WeakPolarHBondContact O-CG 3.48Å; S473-R477 PolarHBondContact O-N 3.33Å; S473-R477 VanDerWaalsContact O-N 3.1Å |
| 474 | L | 72 | Confident | 75.9 | Confident | 11 Ų | 11 | 84.3 Ų | 84.3 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -75.6 | -43.3 | -172.6 | -148.5 | 130 | 0 | 0 | 0 | 111.2 | N470 E471 H472 R477 I478 L910 E913 N914 | N470-L474 PolarHBondContact O-N 2.99Å; E471-L474 WeakPolarHBondContact O-CB 3.5Å; E471-L474 PolarHBondContact O-N 3.49Å; E471-L474 VanDerWaalsContact O-N 3.15Å; H472-L474 PolarHBondContact O-N 3.21Å; L474-R477 PolarHBondContact O-N 3.47Å; L474-I478 HydrophobicContact CD2-CD1 4.24Å; L474-I478 WeakPolarHBondContact O-CG1 3.27Å; L474-I478 PolarHBondContact O-N 2.9Å; L474-I478 VanDerWaalsContact O-N 3.08Å; L474-L910 WeakPolarHBondContact CD2-O 3.22Å; L474-L910 HydrophobicContact CG-CD2 4.45Å; L474-E913 HydrophobicContact CD1-CB 3.94Å; L474-E913 WeakPolarHBondContact CD1-OE2 3.33Å; L474-E913 HydrophobicContact CD2-CB 3.96Å; L474-N914 HydrophobicContact CD2-CB 3.85Å |
| 475 | N | 74.3 | Confident | 76.2 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.4 | -76.1 | -31.7 | 0 | 0 | 0 | 112.1 | E471 R477 I478 E479 N914 | E471-N475 PolarHBondContact O-N 2.92Å; N475-R477 VanDerWaalsContact C-N 3.31Å; N475-R477 PolarHBondContact O-N 3.34Å; N475-I478 PolarHBondContact O-N 3.33Å; N475-E479 PolarHBondContact O-N 3.47Å; N475-N914 PolarHBondContact OD1-ND2 3.16Å |
| 476 | E | 76.6 | Confident | 76.4 | Confident | 115 Ų | 115 | 88.2 Ų | 88.2 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 174.6 | -74.9 | -170.8 | -173.8 | 0 | 0 | 112.8 | H472 K480 | H472-E476 PolarHBondContact O-N 3.27Å; E476-K480 WeakPolarHBondContact O-CG 3.46Å; E476-K480 PolarHBondContact O-N 2.99Å; E476-K480 IonicContact OE2-NZ 2.98Å |
| 477 | R | 78.3 | Confident | 76.6 | Confident | 139 Ų | 139 | 89 Ų | 89 | 53% | 0.525 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 178.1 | -75.3 | 167.9 | 81 | -175.9 | 4.1 | 112.1 | S473 L474 N475 E479 K480 V481 L910 | S473-R477 WeakPolarHBondContact O-CB 3.48Å; S473-R477 WeakPolarHBondContact O-CD 3.47Å; S473-R477 WeakPolarHBondContact O-CG 3.48Å; S473-R477 PolarHBondContact O-N 3.33Å; S473-R477 VanDerWaalsContact O-N 3.1Å; L474-R477 PolarHBondContact O-N 3.47Å; N475-R477 VanDerWaalsContact C-N 3.31Å; N475-R477 PolarHBondContact O-N 3.34Å; R477-E479 PolarHBondContact O-N 2.89Å; R477-K480 PolarHBondContact O-N 3.49Å; R477-V481 VanDerWaalsContact O-CG2 3.29Å; R477-V481 WeakPolarHBondContact O-CG2 3.38Å; R477-V481 PolarHBondContact O-N 2.9Å; R477-L910 HydrophobicContact CB-CD1 3.95Å; R477-L910 HydrophobicContact CB-CD2 4.37Å |
| 478 | I | 79.9 | Confident | 77 | Confident | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.077 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 178.4 | -70.9 | 169 | 0 | 0 | 0 | 111 | L474 N475 K482 L907 L910 Q911 N914 | L474-I478 HydrophobicContact CD2-CD1 4.24Å; L474-I478 WeakPolarHBondContact O-CG1 3.27Å; L474-I478 PolarHBondContact O-N 2.9Å; L474-I478 VanDerWaalsContact O-N 3.08Å; N475-I478 PolarHBondContact O-N 3.33Å; I478-K482 PolarHBondContact O-N 3.45Å; I478-L907 HydrophobicContact CG2-CD1 4Å; I478-L910 HydrophobicContact CD1-CB 4.24Å; I478-L910 HydrophobicContact CG1-CB 3.5Å; I478-L910 VanDerWaalsContact CG1-CB 3.5Å; I478-L910 HydrophobicContact CG1-CD1 4.36Å; I478-Q911 HydrophobicContact CG2-CG 4.5Å; I478-N914 HydrophobicContact CD1-CB 4.38Å |
| 479 | E | 81.6 | Confident | 77.2 | Confident | 100 Ų | 100 | 84 Ų | 84 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | -178.6 | -75.4 | -62.9 | 124.4 | 0 | 0 | 112.1 | N475 R477 V481 K482 D483 | N475-E479 PolarHBondContact O-N 3.47Å; R477-E479 PolarHBondContact O-N 2.89Å; E479-V481 PolarHBondContact O-N 3.14Å; E479-K482 WeakPolarHBondContact O-CB 3.47Å; E479-K482 PolarHBondContact O-N 3.1Å; E479-K482 IonicContact OE1-NZ 2.8Å; E479-K482 PolarHBondContact OE1-NZ 2.85Å; E479-D483 PolarHBondContact O-N 3.32Å |
| 480 | K | 80.9 | Confident | 77.8 | Confident | 120 Ų | 120 | 81 Ų | 81 | 52% | 0.522 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.7 | -74.3 | 172.5 | -177.2 | 165.5 | 0 | 112.6 | E476 R477 K482 D483 E484 | E476-K480 WeakPolarHBondContact O-CG 3.46Å; E476-K480 PolarHBondContact O-N 2.99Å; E476-K480 IonicContact OE2-NZ 2.98Å; R477-K480 PolarHBondContact O-N 3.49Å; K480-K482 VanDerWaalsContact C-N 3.32Å; K480-K482 PolarHBondContact O-N 2.79Å; K480-D483 PolarHBondContact O-N 2.76Å; K480-E484 WeakPolarHBondContact O-CG 3.41Å; K480-E484 PolarHBondContact O-N 2.88Å; K480-E484 VanDerWaalsContact O-N 3.14Å |
| 481 | V | 82.4 | Confident | 78.5 | Confident | 12 Ų | 12 | 79.6 Ų | 79.6 | 7% | 0.073 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.9 | -33.6 | -178.2 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | R477 E479 F485 L903 Q906 L907 L910 | R477-V481 VanDerWaalsContact O-CG2 3.29Å; R477-V481 WeakPolarHBondContact O-CG2 3.38Å; R477-V481 PolarHBondContact O-N 2.9Å; E479-V481 PolarHBondContact O-N 3.14Å; V481-F485 WeakPolarHBondContact O-CB 3.49Å; V481-F485 PolarHBondContact O-N 3.43Å; V481-L903 HydrophobicContact CG1-CB 4.48Å; V481-L903 HydrophobicContact CG1-CD2 4.27Å; V481-L903 VanDerWaalsContact CG1-O 3.23Å; V481-L903 WeakPolarHBondContact CG1-O 3.45Å; V481-Q906 HydrophobicContact CG1-CB 3.94Å; V481-L907 HydrophobicContact CG1-CB 3.98Å; V481-L910 HydrophobicContact CG2-CD1 4.04Å |
| 482 | K | 79.5 | Confident | 79.4 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 173.6 | -90.8 | 178.2 | -176.3 | 168.4 | 0 | 112.4 | I478 E479 K480 E484 F485 H486 L907 | I478-K482 PolarHBondContact O-N 3.45Å; E479-K482 WeakPolarHBondContact O-CB 3.47Å; E479-K482 PolarHBondContact O-N 3.1Å; E479-K482 IonicContact OE1-NZ 2.8Å; E479-K482 PolarHBondContact OE1-NZ 2.85Å; K480-K482 VanDerWaalsContact C-N 3.32Å; K480-K482 PolarHBondContact O-N 2.79Å; K482-E484 VanDerWaalsContact C-N 3.32Å; K482-E484 PolarHBondContact O-N 3.32Å; K482-F485 PolarHBondContact O-N 2.92Å; K482-H486 PolarHBondContact O-N 2.83Å; K482-L907 HydrophobicContact CG-CD1 3.69Å; K482-L907 HydrophobicContact CG-CD2 3.59Å; K482-L907 HydrophobicContact CG-CG 4.31Å |
| 483 | D | 83.3 | Confident | 80 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | -178 | -81.4 | -7.6 | 0 | 0 | 0 | 111.8 | E479 K480 K487 | E479-D483 PolarHBondContact O-N 3.32Å; K480-D483 PolarHBondContact O-N 2.76Å; D483-K487 WeakPolarHBondContact O-CG 3.28Å; D483-K487 PolarHBondContact O-N 2.92Å |
| 484 | E | 84.4 | Confident | 80.5 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.5 | -72.3 | 175.6 | 177.9 | 0 | 0 | 111.7 | K480 K482 H486 K487 S488 L903 | K480-E484 WeakPolarHBondContact O-CG 3.41Å; K480-E484 PolarHBondContact O-N 2.88Å; K480-E484 VanDerWaalsContact O-N 3.14Å; K482-E484 VanDerWaalsContact C-N 3.32Å; K482-E484 PolarHBondContact O-N 3.32Å; E484-H486 VanDerWaalsContact C-N 3.29Å; E484-H486 PolarHBondContact O-N 3.02Å; E484-K487 PolarHBondContact O-N 3.25Å; E484-S488 PolarHBondContact O-N 2.92Å; E484-S488 VanDerWaalsContact O-N 3.09Å; E484-L903 HydrophobicContact CB-CD1 3.77Å; E484-L903 HydrophobicContact CB-CD2 3.83Å; E484-L903 HydrophobicContact CB-CG 4.42Å; E484-L903 VanDerWaalsContact OE2-CD2 3.29Å; E484-L903 WeakPolarHBondContact OE2-CD2 3.26Å |
| 485 | F | 85.1 | Confident | 80.7 | Confident | 49 Ų | 49 | 83.9 Ų | 83.9 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 179.7 | 175.1 | -105.3 | 0 | 0 | 0 | 111.4 | V481 K482 K487 S488 E489 M900 L903 K904 | V481-F485 WeakPolarHBondContact O-CB 3.49Å; V481-F485 PolarHBondContact O-N 3.43Å; K482-F485 PolarHBondContact O-N 2.92Å; F485-K487 PolarHBondContact O-N 3.34Å; F485-S488 PolarHBondContact O-N 3.4Å; F485-E489 PolarHBondContact O-N 3.27Å; F485-M900 HydrophobicContact CD2-CG 4.25Å; F485-M900 VanDerWaalsContact CD2-O 3.27Å; F485-M900 WeakPolarHBondContact CD2-O 3.45Å; F485-M900 HydrophobicContact CE2-CG 3.73Å; F485-M900 VanDerWaalsContact CE2-O 3.28Å; F485-M900 WeakPolarHBondContact CE2-O 3.46Å; F485-M900 HydrophobicContact CZ-CG 4.46Å; F485-L903 HydrophobicContact CB-CB 3.97Å; F485-L903 HydrophobicContact CD2-CB 4.12Å; F485-K904 HydrophobicContact CD2-CB 3.98Å; F485-K904 HydrophobicContact CE2-CB 3.65Å; F485-K904 HydrophobicContact CE2-CD 4.21Å; F485-K904 HydrophobicContact CE2-CG 4.13Å; F485-K904 HydrophobicContact CZ-CB 4.38Å; F485-K904 HydrophobicContact CZ-CD 4.25Å; F485-K904 HydrophobicContact CZ-CG 4.38Å |
| 486 | H | 83.3 | Confident | 80.6 | Confident | 120 Ų | 120 | 85.4 Ų | 85.4 | 56% | 0.556 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.9 | -36.2 | -178.2 | -163.1 | 18.7 | 0 | 0 | 0 | 113 | K482 E484 E489 | K482-H486 PolarHBondContact O-N 2.83Å; E484-H486 VanDerWaalsContact C-N 3.29Å; E484-H486 PolarHBondContact O-N 3.02Å; H486-E489 IonicContact ND1-OE2 2.87Å |
| 487 | K | 83.1 | Confident | 80.3 | Confident | 145 Ų | 145 | 88 Ų | 88 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 175.6 | -71.7 | 172.7 | -175.7 | 169.7 | 0 | 112.1 | D483 E484 F485 E489 I490 T491 | D483-K487 WeakPolarHBondContact O-CG 3.28Å; D483-K487 PolarHBondContact O-N 2.92Å; E484-K487 PolarHBondContact O-N 3.25Å; F485-K487 PolarHBondContact O-N 3.34Å; K487-E489 VanDerWaalsContact C-N 3.3Å; K487-E489 PolarHBondContact O-N 3.46Å; K487-I490 PolarHBondContact O-N 2.96Å; K487-T491 PolarHBondContact O-N 3.39Å; K487-T491 PolarHBondContact O-OG1 3Å |
| 488 | S | 81.1 | Confident | 79.9 | Confident | 11 Ų | 11 | 86.2 Ų | 86.2 | 8% | 0.077 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | -179 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | E484 F485 I490 T491 V492 A896 M900 | E484-S488 PolarHBondContact O-N 2.92Å; E484-S488 VanDerWaalsContact O-N 3.09Å; F485-S488 PolarHBondContact O-N 3.4Å; S488-I490 VanDerWaalsContact C-N 3.32Å; S488-I490 PolarHBondContact O-N 3.49Å; S488-T491 PolarHBondContact O-N 2.82Å; S488-V492 PolarHBondContact O-N 3.43Å; S488-A896 PolarHBondContact OG-O 3.45Å; S488-M900 WeakPolarHBondContact OG-CA 3.43Å; S488-M900 WeakPolarHBondContact OG-CB 3.29Å; S488-M900 PolarHBondContact OG-N 2.81Å; S488-M900 VanDerWaalsContact OG-N 3.09Å |
| 489 | E | 80.3 | Confident | 79.6 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 36% | 0.36 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 177.6 | -170.9 | -178 | -160.9 | 0 | 0 | 113.2 | F485 H486 K487 M900 | F485-E489 PolarHBondContact O-N 3.27Å; H486-E489 IonicContact ND1-OE2 2.87Å; K487-E489 VanDerWaalsContact C-N 3.3Å; K487-E489 PolarHBondContact O-N 3.46Å; E489-M900 HydrophobicContact CB-SD 4.34Å; E489-M900 HydrophobicContact CG-SD 4.27Å |
| 490 | I | 83.2 | Confident | 79.3 | Confident | 96 Ų | 96 | 91.5 Ų | 91.5 | 49% | 0.492 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.1 | -46.1 | 178.7 | -63.3 | 172.1 | 0 | 0 | 0 | 110.2 | K487 S488 V492 K493 | K487-I490 PolarHBondContact O-N 2.96Å; S488-I490 VanDerWaalsContact C-N 3.32Å; S488-I490 PolarHBondContact O-N 3.49Å; I490-V492 VanDerWaalsContact C-N 3.29Å; I490-V492 PolarHBondContact O-N 2.72Å; I490-K493 PolarHBondContact O-N 3.21Å; I490-K493 VanDerWaalsContact O-N 3.08Å |
| 491 | T | 81.1 | Confident | 79 | Confident | 71 Ų | 71 | 87.7 Ų | 87.7 | 44% | 0.436 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.7 | -36.8 | -177.4 | -44.2 | 0 | 0 | 0 | 0 | 113.4 | K487 S488 K493 D494 L495 A896 | K487-T491 PolarHBondContact O-N 3.39Å; K487-T491 PolarHBondContact O-OG1 3Å; S488-T491 PolarHBondContact O-N 2.82Å; T491-K493 VanDerWaalsContact C-N 3.28Å; T491-K493 PolarHBondContact O-N 2.78Å; T491-D494 PolarHBondContact O-N 3.01Å; T491-L495 HydrophobicContact CG2-CD1 4.28Å; T491-L495 PolarHBondContact O-N 3.49Å; T491-A896 HydrophobicContact CG2-CB 4.39Å |
| 492 | V | 80.6 | Confident | 78.7 | Confident | 25 Ų | 25 | 92.6 Ų | 92.6 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 178.8 | 172 | 0 | 0 | 0 | 0 | 112 | S488 I490 A896 V897 | S488-V492 PolarHBondContact O-N 3.43Å; I490-V492 VanDerWaalsContact C-N 3.29Å; I490-V492 PolarHBondContact O-N 2.72Å; V492-A896 VanDerWaalsContact CG2-C 3.41Å; V492-A896 HydrophobicContact CG2-CB 3.64Å; V492-A896 WeakPolarHBondContact CG2-O 3.28Å; V492-V897 HydrophobicContact CB-CG2 4.48Å; V492-V897 HydrophobicContact CG1-CG2 3.71Å; V492-V897 HydrophobicContact CG2-CG2 3.87Å |
| 493 | K | 78.6 | Confident | 78.7 | Confident | 144 Ų | 144 | 94.5 Ų | 94.5 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.1 | -41.1 | -178.7 | -77.5 | 179.4 | 177.7 | 168.9 | 0 | 112.3 | I490 T491 | I490-K493 PolarHBondContact O-N 3.21Å; I490-K493 VanDerWaalsContact O-N 3.08Å; T491-K493 VanDerWaalsContact C-N 3.28Å; T491-K493 PolarHBondContact O-N 2.78Å |
| 494 | D | 80.3 | Confident | 78.6 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.8 | -37.8 | -175.8 | -67.3 | -19.4 | 0 | 0 | 0 | 112.3 | T491 N496 M497 | T491-D494 PolarHBondContact O-N 3.01Å; D494-N496 VanDerWaalsContact C-N 3.26Å; D494-N496 PolarHBondContact O-N 3.43Å; D494-M497 PolarHBondContact O-N 3.36Å |
| 495 | L | 76.5 | Confident | 78.4 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.9 | -20.2 | -178.1 | -72.3 | 169.3 | 0 | 0 | 0 | 114.3 | T491 M497 A892 Q893 A896 | T491-L495 HydrophobicContact CG2-CD1 4.28Å; T491-L495 PolarHBondContact O-N 3.49Å; L495-M497 VanDerWaalsContact C-N 3.35Å; L495-M497 PolarHBondContact O-N 3.29Å; L495-A892 HydrophobicContact CD1-CB 4.34Å; L495-Q893 HydrophobicContact CB-CG 4.47Å; L495-A896 HydrophobicContact CD1-CB 4.05Å |
| 496 | N | 71.7 | Confident | 78.2 | Confident | 103 Ų | 103 | 95 Ų | 95 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.9 | -178.3 | -83.2 | -27.8 | 0 | 0 | 0 | 114.4 | D494 Q893 | D494-N496 VanDerWaalsContact C-N 3.26Å; D494-N496 PolarHBondContact O-N 3.43Å; N496-Q893 PolarHBondContact OD1-NE2 3.33Å |
| 497 | M | 71.9 | Confident | 78.1 | Confident | 170 Ų | 170 | 91.2 Ų | 91.2 | 84% | 0.837 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 3.9 | -172.2 | -76.2 | 179.9 | 62.1 | 0 | 0 | 115.3 | D494 L495 | D494-M497 PolarHBondContact O-N 3.36Å; L495-M497 VanDerWaalsContact C-N 3.35Å; L495-M497 PolarHBondContact O-N 3.29Å |
| 498 | D | 70.1 | Confident | 77.9 | Confident | 101 Ų | 101 | 84.7 Ų | 84.7 | 54% | 0.54 | 43% | 0.431 | S | S | . | . | trans | -89.9 | 135.5 | -168.8 | -150.9 | -11.2 | 0 | 0 | 0 | 115 | ||||
| 499 | H | 72.2 | Confident | 77.9 | Confident | 153 Ų | 153 | 88.8 Ų | 88.8 | 71% | 0.708 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -90.7 | -10.3 | -175.7 | -79.2 | -33.7 | 0 | 0 | 0 | 114.7 | L501 | H499-L501 VanDerWaalsContact C-N 3.32Å; H499-L501 PolarHBondContact O-N 2.72Å |
| 500 | E | 76.3 | Confident | 78 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 34% | 0.341 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | -174.1 | -161.8 | -176.4 | 162.1 | 0 | 0 | 113.2 | N502 N503 L504 R885 L889 | E500-N502 PolarHBondContact O-N 3.45Å; E500-N503 PolarHBondContact O-N 2.83Å; E500-L504 HydrophobicContact CG-CD1 4.08Å; E500-L504 PolarHBondContact O-N 3.2Å; E500-R885 IonicContact OE1-CZ 3.93Å; E500-R885 IonicContact OE1-NE 3.65Å; E500-R885 PolarHBondContact OE1-NE 2.93Å; E500-R885 IonicContact OE1-NH2 2.81Å; E500-R885 PolarHBondContact OE1-NH2 2.66Å; E500-R885 VanDerWaalsContact OE1-NH2 3.14Å; E500-R885 IonicContact OE2-CZ 3.42Å; E500-R885 IonicContact OE2-NE 3.31Å; E500-R885 IonicContact OE2-NH2 2.74Å; E500-R885 PolarHBondContact OE2-NH2 2.97Å; E500-L889 HydrophobicContact CB-CD1 4.34Å; E500-L889 HydrophobicContact CG-CD1 4.46Å |
| 501 | L | 75.2 | Confident | 77.9 | Confident | 40 Ų | 40 | 88.2 Ų | 88.2 | 21% | 0.209 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | -174.4 | -157.6 | 88.5 | 0 | 0 | 0 | 112.7 | H499 N503 L504 H505 L889 | H499-L501 VanDerWaalsContact C-N 3.32Å; H499-L501 PolarHBondContact O-N 2.72Å; L501-N503 PolarHBondContact O-N 3.35Å; L501-L504 PolarHBondContact O-N 3.05Å; L501-H505 PolarHBondContact O-CD2 2.95Å; L501-H505 PolarHBondContact O-N 3.27Å; L501-L889 HydrophobicContact CD1-CB 3.51Å; L501-L889 HydrophobicContact CD1-CD1 3.97Å; L501-L889 HydrophobicContact CD1-CG 4.4Å |
| 502 | N | 75.6 | Confident | 77.8 | Confident | 115 Ų | 115 | 87.5 Ų | 87.5 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | -174.5 | -80 | -22.3 | 0 | 0 | 0 | 112.7 | E500 | E500-N502 PolarHBondContact O-N 3.45Å |
| 503 | N | 80 | Confident | 77.9 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 65% | 0.652 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.2 | -37 | -179 | -71.7 | -19.6 | 0 | 0 | 0 | 112.2 | E500 L501 | E500-N503 PolarHBondContact O-N 2.83Å; L501-N503 PolarHBondContact O-N 3.35Å |
| 504 | L | 79.2 | Confident | 78 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 16% | 0.157 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 178.1 | -84.8 | 154.7 | 0 | 0 | 0 | 112.4 | E500 L501 Q506 S507 I508 K882 R885 V886 | E500-L504 HydrophobicContact CG-CD1 4.08Å; E500-L504 PolarHBondContact O-N 3.2Å; L501-L504 PolarHBondContact O-N 3.05Å; L504-Q506 VanDerWaalsContact C-N 3.33Å; L504-Q506 PolarHBondContact O-N 3.45Å; L504-S507 PolarHBondContact O-N 2.79Å; L504-I508 WeakPolarHBondContact O-CD1 2.99Å; L504-I508 WeakPolarHBondContact O-CG1 2.99Å; L504-I508 PolarHBondContact O-N 3.42Å; L504-I508 VanDerWaalsContact O-N 3.11Å; L504-K882 HydrophobicContact CD2-CB 4.01Å; L504-K882 HydrophobicContact CD2-CG 4.19Å; L504-R885 HydrophobicContact CD1-CB 4.02Å; L504-R885 HydrophobicContact CD1-CG 3.45Å; L504-R885 VanDerWaalsContact CD1-CG 3.45Å; L504-R885 HydrophobicContact CD2-CB 4.31Å; L504-R885 HydrophobicContact CD2-CG 4.42Å; L504-V886 HydrophobicContact CB-CG2 3.53Å; L504-V886 HydrophobicContact CD1-CG2 4.3Å; L504-V886 HydrophobicContact CG-CG2 4.4Å |
| 505 | H | 80.8 | Confident | 78 | Confident | 78 Ų | 78 | 84 Ų | 84 | 36% | 0.361 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 179.2 | -79.9 | -149.8 | 0 | 0 | 0 | 112.3 | L501 S507 I508 T509 V886 | L501-H505 PolarHBondContact O-CD2 2.95Å; L501-H505 PolarHBondContact O-N 3.27Å; H505-S507 PolarHBondContact O-N 3.24Å; H505-I508 PolarHBondContact O-N 3.47Å; H505-T509 PolarHBondContact O-N 2.84Å; H505-T509 PolarHBondContact O-OG1 3.17Å; H505-V886 WeakPolarHBondContact NE2-CG1 3.1Å |
| 506 | Q | 80.3 | Confident | 78.1 | Confident | 142 Ų | 142 | 88.2 Ų | 88.2 | 66% | 0.664 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | -177.9 | -165.3 | 170.9 | 12.9 | 0 | 0 | 111.7 | L504 T509 | L504-Q506 VanDerWaalsContact C-N 3.33Å; L504-Q506 PolarHBondContact O-N 3.45Å; Q506-T509 WeakPolarHBondContact O-CB 3.38Å; Q506-T509 PolarHBondContact O-N 3.35Å |
| 507 | S | 81.7 | Confident | 78.6 | Confident | 41 Ų | 41 | 90 Ų | 90 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.4 | -31.6 | -177.5 | -161.3 | 0 | 0 | 0 | 0 | 114 | L504 H505 T509 K882 | L504-S507 PolarHBondContact O-N 2.79Å; H505-S507 PolarHBondContact O-N 3.24Å; S507-T509 VanDerWaalsContact C-N 3.29Å; S507-K882 PolarHBondContact OG-NZ 3.3Å |
| 508 | I | 79.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 84 Ų | 84 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.6 | -74.7 | 165.8 | 0 | 0 | 0 | 110.9 | L504 H505 E510 S511 L512 K882 Q883 V886 | L504-I508 WeakPolarHBondContact O-CD1 2.99Å; L504-I508 WeakPolarHBondContact O-CG1 2.99Å; L504-I508 PolarHBondContact O-N 3.42Å; L504-I508 VanDerWaalsContact O-N 3.11Å; H505-I508 PolarHBondContact O-N 3.47Å; I508-E510 PolarHBondContact O-N 3.23Å; I508-S511 PolarHBondContact O-N 3.23Å; I508-L512 HydrophobicContact CG2-CD1 3.52Å; I508-L512 HydrophobicContact CG2-CG 4.12Å; I508-L512 WeakPolarHBondContact O-CB 3.48Å; I508-L512 WeakPolarHBondContact O-CG 3.47Å; I508-L512 PolarHBondContact O-N 2.74Å; I508-K882 HydrophobicContact CD1-CB 3.87Å; I508-K882 HydrophobicContact CG1-CB 3.43Å; I508-K882 VanDerWaalsContact CG1-CB 3.43Å; I508-K882 HydrophobicContact CG1-CD 4.29Å; I508-Q883 HydrophobicContact CD1-CB 4.45Å; I508-V886 HydrophobicContact CD1-CB 4.4Å; I508-V886 HydrophobicContact CD1-CG2 3.65Å |
| 509 | T | 81.4 | Confident | 79.5 | Confident | 97 Ų | 97 | 83 Ų | 83 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | -174.3 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | H505 Q506 S507 G513 | H505-T509 PolarHBondContact O-N 2.84Å; H505-T509 PolarHBondContact O-OG1 3.17Å; Q506-T509 WeakPolarHBondContact O-CB 3.38Å; Q506-T509 PolarHBondContact O-N 3.35Å; S507-T509 VanDerWaalsContact C-N 3.29Å; T509-G513 PolarHBondContact O-N 3.25Å |
| 510 | E | 82.2 | Confident | 80 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 66% | 0.659 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 177.4 | -70.1 | -179.2 | 166.7 | 0 | 0 | 112.8 | I508 G513 | I508-E510 PolarHBondContact O-N 3.23Å; E510-G513 PolarHBondContact O-N 3.43Å |
| 511 | S | 81.2 | Confident | 80.3 | Confident | 20 Ų | 20 | 80.2 Ų | 80.2 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 179.8 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | I508 G513 K514 K515 I879 | I508-S511 PolarHBondContact O-N 3.23Å; S511-G513 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 3.25Å; S511-K514 PolarHBondContact O-N 3.1Å; S511-K515 PolarHBondContact O-N 3.48Å; S511-I879 VanDerWaalsContact C-CD1 3.48Å; S511-I879 WeakPolarHBondContact O-CD1 3.26Å |
| 512 | L | 78.4 | Confident | 80.6 | Confident | 57 Ų | 57 | 79 Ų | 79 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.6 | -34.1 | 174.8 | -81.7 | 168.8 | 0 | 0 | 0 | 113 | I508 K515 K516 I879 | I508-L512 HydrophobicContact CG2-CD1 3.52Å; I508-L512 HydrophobicContact CG2-CG 4.12Å; I508-L512 WeakPolarHBondContact O-CB 3.48Å; I508-L512 WeakPolarHBondContact O-CG 3.47Å; I508-L512 PolarHBondContact O-N 2.74Å; L512-K515 PolarHBondContact O-N 2.9Å; L512-K516 PolarHBondContact O-N 3.33Å; L512-I879 HydrophobicContact CD2-CD1 4.26Å; L512-I879 HydrophobicContact CD2-CG2 3.98Å; L512-I879 HydrophobicContact CG-CD1 4.38Å; L512-I879 HydrophobicContact CG-CG2 4.14Å |
| 513 | G | 82.1 | Confident | 80.8 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58 | -50.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T509 E510 S511 K515 K516 | T509-G513 PolarHBondContact O-N 3.25Å; E510-G513 PolarHBondContact O-N 3.43Å; S511-G513 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 3.25Å; G513-K515 PolarHBondContact O-N 3.33Å; G513-K516 PolarHBondContact O-N 3.04Å |
| 514 | K | 80.4 | Confident | 80.8 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.7 | -32.5 | 179.3 | -68.5 | 178.2 | -178.6 | 177.7 | 0 | 113.1 | S511 E517 L875 | S511-K514 PolarHBondContact O-N 3.1Å; K514-E517 PolarHBondContact O-N 3.04Å; K514-L875 VanDerWaalsContact C-CD2 3.49Å; K514-L875 HydrophobicContact CB-CD2 3.49Å; K514-L875 VanDerWaalsContact CB-CD2 3.49Å |
| 515 | K | 80.9 | Confident | 80.9 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178.9 | 176.4 | 176.4 | 167.4 | 167.6 | 0 | 111.1 | S511 L512 G513 E517 L518 E519 L875 S876 I879 | S511-K515 PolarHBondContact O-N 3.48Å; L512-K515 PolarHBondContact O-N 2.9Å; G513-K515 PolarHBondContact O-N 3.33Å; K515-E517 VanDerWaalsContact C-N 3.32Å; K515-E517 PolarHBondContact O-N 2.82Å; K515-L518 PolarHBondContact O-N 2.98Å; K515-E519 WeakPolarHBondContact CE-OE1 3.49Å; K515-E519 HydrophobicContact CG-CG 4.18Å; K515-E519 IonicContact NZ-OE1 3.6Å; K515-E519 WeakPolarHBondContact O-CG 3.45Å; K515-E519 PolarHBondContact O-N 3.17Å; K515-L875 HydrophobicContact CB-CD2 3.87Å; K515-L875 HydrophobicContact CB-CG 4.47Å; K515-S876 WeakPolarHBondContact CD-OG 3.45Å; K515-S876 WeakPolarHBondContact CE-OG 3.34Å; K515-S876 PolarHBondContact NZ-OG 3.39Å; K515-S876 VanDerWaalsContact NZ-OG 3.12Å; K515-I879 HydrophobicContact CB-CD1 3.71Å; K515-I879 HydrophobicContact CD-CD1 3.7Å; K515-I879 HydrophobicContact CG-CD1 4.31Å |
| 516 | K | 78.4 | Confident | 80.7 | Confident | 145 Ų | 145 | 72.2 Ų | 72.2 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.7 | -39.6 | 179.4 | -76.7 | -177 | 176.6 | -177 | 0 | 113.1 | L512 G513 E519 H520 | L512-K516 PolarHBondContact O-N 3.33Å; G513-K516 PolarHBondContact O-N 3.04Å; K516-E519 PolarHBondContact O-N 3.1Å; K516-H520 WeakPolarHBondContact O-CB 3.5Å; K516-H520 PolarHBondContact O-N 3.41Å |
| 517 | E | 82.8 | Confident | 80.5 | Confident | 140 Ų | 140 | 71.3 Ų | 71.3 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | -179.5 | -69.2 | 177.4 | 167.6 | 0 | 0 | 112.3 | K514 K515 S521 | K514-E517 PolarHBondContact O-N 3.04Å; K515-E517 VanDerWaalsContact C-N 3.32Å; K515-E517 PolarHBondContact O-N 2.82Å; E517-S521 PolarHBondContact O-N 3.38Å; E517-S521 PolarHBondContact O-OG 3.29Å; E517-S521 VanDerWaalsContact O-OG 3.09Å |
| 518 | L | 81.8 | Confident | 80.3 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.6 | -40.2 | 177.2 | -68.9 | 167.9 | 0 | 0 | 0 | 112.1 | K515 H520 S521 I522 L868 L872 | K515-L518 PolarHBondContact O-N 2.98Å; L518-H520 VanDerWaalsContact C-N 3.32Å; L518-H520 PolarHBondContact O-N 3.49Å; L518-S521 PolarHBondContact O-N 2.73Å; L518-I522 PolarHBondContact O-N 3.44Å; L518-I522 VanDerWaalsContact O-N 3.16Å; L518-L868 HydrophobicContact CD2-CD2 3.87Å; L518-L872 HydrophobicContact CB-CD1 3.48Å; L518-L872 VanDerWaalsContact CB-CD1 3.48Å |
| 519 | E | 79.4 | Confident | 80.2 | Confident | 80 Ų | 80 | 74.6 Ų | 74.6 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.6 | -78.1 | -177.9 | 151.4 | 0 | 0 | 111.4 | K515 K516 S521 I522 S523 L872 | K515-E519 WeakPolarHBondContact CE-OE1 3.49Å; K515-E519 HydrophobicContact CG-CG 4.18Å; K515-E519 IonicContact NZ-OE1 3.6Å; K515-E519 WeakPolarHBondContact O-CG 3.45Å; K515-E519 PolarHBondContact O-N 3.17Å; K516-E519 PolarHBondContact O-N 3.1Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 3.04Å; E519-I522 PolarHBondContact O-N 3.41Å; E519-S523 WeakPolarHBondContact O-CB 2.94Å; E519-S523 PolarHBondContact O-N 3.06Å; E519-L872 HydrophobicContact CB-CD1 4.02Å; E519-L872 HydrophobicContact CG-CD1 3.3Å; E519-L872 HydrophobicContact CG-CD2 3.95Å; E519-L872 HydrophobicContact CG-CG 4.09Å |
| 520 | H | 82.7 | Confident | 79.8 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 178.2 | -173.2 | 57.6 | 0 | 0 | 0 | 112.1 | K516 L518 S523 L524 | K516-H520 WeakPolarHBondContact O-CB 3.5Å; K516-H520 PolarHBondContact O-N 3.41Å; L518-H520 VanDerWaalsContact C-N 3.32Å; L518-H520 PolarHBondContact O-N 3.49Å; H520-S523 PolarHBondContact O-N 2.92Å; H520-L524 PolarHBondContact O-N 3.31Å |
| 521 | S | 82.5 | Confident | 79.4 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | E517 L518 E519 | E517-S521 PolarHBondContact O-N 3.38Å; E517-S521 PolarHBondContact O-OG 3.29Å; E517-S521 VanDerWaalsContact O-OG 3.09Å; L518-S521 PolarHBondContact O-N 2.73Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 3.04Å |
| 522 | I | 80.6 | Confident | 79 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 176 | -65.1 | 163.5 | 0 | 0 | 0 | 110.9 | L518 E519 L524 I525 D526 R865 L868 R869 L872 | L518-I522 PolarHBondContact O-N 3.44Å; L518-I522 VanDerWaalsContact O-N 3.16Å; E519-I522 PolarHBondContact O-N 3.41Å; I522-L524 VanDerWaalsContact C-N 3.32Å; I522-L524 PolarHBondContact O-N 3.13Å; I522-I525 PolarHBondContact O-N 3.29Å; I522-I525 VanDerWaalsContact O-N 3.11Å; I522-D526 WeakPolarHBondContact CG2-OD2 3.49Å; I522-D526 PolarHBondContact O-N 3.42Å; I522-R865 HydrophobicContact CG2-CG 4.48Å; I522-L868 HydrophobicContact CD1-CB 3.93Å; I522-L868 HydrophobicContact CG1-CB 3.47Å; I522-L868 VanDerWaalsContact CG1-CB 3.47Å; I522-L868 HydrophobicContact CG1-CD1 4.28Å; I522-L868 HydrophobicContact CG1-CG 4.5Å; I522-R869 HydrophobicContact CD1-CB 4.41Å; I522-R869 HydrophobicContact CD1-CG 3.77Å; I522-R869 HydrophobicContact CG1-CG 4.31Å; I522-R869 HydrophobicContact CG2-CG 4.16Å; I522-L872 HydrophobicContact CD1-CB 3.97Å; I522-L872 HydrophobicContact CD1-CD1 3.83Å; I522-L872 HydrophobicContact CD1-CD2 4.27Å; I522-L872 HydrophobicContact CD1-CG 4.24Å |
| 523 | S | 79.7 | Confident | 78.6 | Confident | 65 Ų | 65 | 75.2 Ų | 75.2 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | E519 H520 I525 D526 E527 | E519-S523 WeakPolarHBondContact O-CB 2.94Å; E519-S523 PolarHBondContact O-N 3.06Å; H520-S523 PolarHBondContact O-N 2.92Å; S523-I525 PolarHBondContact O-N 3.07Å; S523-D526 PolarHBondContact O-N 3.36Å; S523-E527 WeakPolarHBondContact O-CB 3.39Å; S523-E527 PolarHBondContact O-N 2.87Å |
| 524 | L | 81.4 | Confident | 78.1 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 178.4 | -78.2 | 164 | 0 | 0 | 0 | 112.8 | H520 I522 K528 | H520-L524 PolarHBondContact O-N 3.31Å; I522-L524 VanDerWaalsContact C-N 3.32Å; I522-L524 PolarHBondContact O-N 3.13Å; L524-K528 WeakPolarHBondContact O-CG 3.16Å |
| 525 | I | 81.2 | Confident | 77.5 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -78.8 | -44.3 | 178.4 | -63.6 | 172.1 | 0 | 0 | 0 | 110.9 | I522 S523 E527 K528 I529 L861 E864 R865 L868 | I522-I525 PolarHBondContact O-N 3.29Å; I522-I525 VanDerWaalsContact O-N 3.11Å; S523-I525 PolarHBondContact O-N 3.07Å; I525-E527 VanDerWaalsContact C-N 3.3Å; I525-E527 PolarHBondContact O-N 3.02Å; I525-K528 PolarHBondContact O-N 3.01Å; I525-I529 HydrophobicContact CG2-CD1 4.09Å; I525-I529 PolarHBondContact O-N 3.42Å; I525-I529 VanDerWaalsContact O-N 3.07Å; I525-L861 HydrophobicContact CG2-CB 4.14Å; I525-L861 HydrophobicContact CG2-CD2 4.32Å; I525-L861 VanDerWaalsContact CG2-O 3.23Å; I525-L861 WeakPolarHBondContact CG2-O 3.39Å; I525-E864 HydrophobicContact CD1-CB 4.11Å; I525-E864 HydrophobicContact CD1-CG 3.99Å; I525-R865 HydrophobicContact CG2-CB 3.92Å; I525-L868 HydrophobicContact CD1-CD1 4.11Å |
| 526 | D | 76.4 | Confident | 77 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -35 | 177.2 | -84.1 | -37.4 | 0 | 0 | 0 | 111.7 | I522 S523 K528 I529 A530 R865 R869 | I522-D526 WeakPolarHBondContact CG2-OD2 3.49Å; I522-D526 PolarHBondContact O-N 3.42Å; S523-D526 PolarHBondContact O-N 3.36Å; D526-K528 PolarHBondContact O-N 3.23Å; D526-I529 PolarHBondContact O-N 3.32Å; D526-A530 WeakPolarHBondContact O-CB 3.26Å; D526-A530 PolarHBondContact O-N 3.49Å; D526-R865 WeakPolarHBondContact OD1-CD 3.38Å; D526-R865 IonicContact OD1-CZ 3.78Å; D526-R865 IonicContact OD1-NE 3.84Å; D526-R865 IonicContact OD1-NH1 2.79Å; D526-R865 PolarHBondContact OD1-NH1 2.89Å; D526-R865 VanDerWaalsContact OD1-NH1 3.1Å; D526-R869 VanDerWaalsContact CG-NH2 3.35Å; D526-R869 IonicContact OD1-NH2 2.93Å; D526-R869 PolarHBondContact OD1-NH2 3.48Å; D526-R869 VanDerWaalsContact OD1-NH2 3.16Å; D526-R869 IonicContact OD2-CZ 3.2Å; D526-R869 IonicContact OD2-NE 3.41Å; D526-R869 IonicContact OD2-NH2 3.45Å; D526-R869 PolarHBondContact OD2-NH2 3.48Å |
| 527 | E | 76.8 | Confident | 76.8 | Confident | 123 Ų | 123 | 73.9 Ų | 73.9 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 173.5 | -124.1 | 178.5 | 175.9 | 0 | 0 | 111.8 | S523 I525 T531 | S523-E527 WeakPolarHBondContact O-CB 3.39Å; S523-E527 PolarHBondContact O-N 2.87Å; I525-E527 VanDerWaalsContact C-N 3.3Å; I525-E527 PolarHBondContact O-N 3.02Å; E527-T531 WeakPolarHBondContact O-CB 3.48Å; E527-T531 VanDerWaalsContact O-CG2 3.3Å; E527-T531 WeakPolarHBondContact O-CG2 3.22Å; E527-T531 PolarHBondContact O-N 3Å; E527-T531 PolarHBondContact O-OG1 3Å |
| 528 | K | 77.1 | Confident | 76.3 | Confident | 113 Ų | 113 | 70 Ų | 70 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 178.2 | -71.5 | 175.5 | -178.4 | 179.6 | 0 | 111.8 | L524 I525 D526 T531 F532 L861 | L524-K528 WeakPolarHBondContact O-CG 3.16Å; I525-K528 PolarHBondContact O-N 3.01Å; D526-K528 PolarHBondContact O-N 3.23Å; K528-T531 WeakPolarHBondContact CA-OG1 3.41Å; K528-T531 PolarHBondContact O-OG1 2.9Å; K528-F532 WeakPolarHBondContact O-CD2 3.33Å; K528-F532 PolarHBondContact O-N 2.96Å; K528-L861 HydrophobicContact CB-CD1 3.96Å; K528-L861 HydrophobicContact CD-CD1 4.48Å; K528-L861 HydrophobicContact CD-CD2 4.34Å |
| 529 | I | 77.1 | Confident | 76 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 179.1 | -65.2 | 171.7 | 0 | 0 | 0 | 111.1 | I525 D526 T531 F532 Q533 L861 Q862 | I525-I529 HydrophobicContact CG2-CD1 4.09Å; I525-I529 PolarHBondContact O-N 3.42Å; I525-I529 VanDerWaalsContact O-N 3.07Å; D526-I529 PolarHBondContact O-N 3.32Å; I529-T531 PolarHBondContact O-N 2.89Å; I529-F532 PolarHBondContact O-N 3.41Å; I529-Q533 PolarHBondContact O-N 3.05Å; I529-Q533 VanDerWaalsContact O-N 3.11Å; I529-L861 HydrophobicContact CD1-CB 3.98Å; I529-L861 HydrophobicContact CG1-CB 3.95Å; I529-L861 HydrophobicContact CG1-CD1 4.34Å; I529-Q862 HydrophobicContact CD1-CG 4.06Å |
| 530 | A | 72.5 | Confident | 75.9 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D526 Q533 K534 | D526-A530 WeakPolarHBondContact O-CB 3.26Å; D526-A530 PolarHBondContact O-N 3.49Å; A530-Q533 PolarHBondContact O-N 2.86Å; A530-K534 VanDerWaalsContact O-CB 3.24Å; A530-K534 WeakPolarHBondContact O-CB 3.47Å; A530-K534 PolarHBondContact O-N 3.5Å |
| 531 | T | 74 | Confident | 75.7 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60 | -47 | 176.6 | 42.9 | 0 | 0 | 0 | 0 | 111.4 | E527 K528 I529 K534 S535 | E527-T531 WeakPolarHBondContact O-CB 3.48Å; E527-T531 VanDerWaalsContact O-CG2 3.3Å; E527-T531 WeakPolarHBondContact O-CG2 3.22Å; E527-T531 PolarHBondContact O-N 3Å; E527-T531 PolarHBondContact O-OG1 3Å; K528-T531 WeakPolarHBondContact CA-OG1 3.41Å; K528-T531 PolarHBondContact O-OG1 2.9Å; I529-T531 PolarHBondContact O-N 2.89Å; T531-K534 PolarHBondContact O-N 3.22Å; T531-S535 PolarHBondContact O-N 3.42Å; T531-S535 PolarHBondContact O-OG 3.04Å; T531-S535 VanDerWaalsContact O-OG 3.08Å |
| 532 | F | 72.4 | Confident | 75.8 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 37% | 0.368 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.7 | -77.2 | -59.5 | 0 | 0 | 0 | 114.2 | K528 I529 K534 S535 A536 I858 | K528-F532 WeakPolarHBondContact O-CD2 3.33Å; K528-F532 PolarHBondContact O-N 2.96Å; I529-F532 PolarHBondContact O-N 3.41Å; F532-K534 VanDerWaalsContact C-N 3.34Å; F532-K534 PolarHBondContact O-N 2.84Å; F532-S535 WeakPolarHBondContact CA-OG 3.33Å; F532-S535 PolarHBondContact O-N 2.81Å; F532-S535 PolarHBondContact O-OG 3.12Å; F532-A536 PolarHBondContact O-N 3.03Å; F532-I858 HydrophobicContact CB-CD1 4.24Å |
| 533 | Q | 71.3 | Confident | 75.8 | Confident | 106 Ų | 106 | 81.7 Ų | 81.7 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 179.3 | -72.8 | -176.1 | -22.9 | 0 | 0 | 112.3 | I529 A530 A536 N537 | I529-Q533 PolarHBondContact O-N 3.05Å; I529-Q533 VanDerWaalsContact O-N 3.11Å; A530-Q533 PolarHBondContact O-N 2.86Å; Q533-A536 PolarHBondContact O-N 3.33Å; Q533-N537 PolarHBondContact O-N 2.95Å |
| 534 | K | 71.1 | Confident | 76 | Confident | 146 Ų | 146 | 84.7 Ų | 84.7 | 64% | 0.635 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.5 | -37.9 | 179.4 | -156.8 | 176.2 | -170.5 | -178.8 | 0 | 111.6 | A530 T531 F532 K538 | A530-K534 VanDerWaalsContact O-CB 3.24Å; A530-K534 WeakPolarHBondContact O-CB 3.47Å; A530-K534 PolarHBondContact O-N 3.5Å; T531-K534 PolarHBondContact O-N 3.22Å; F532-K534 VanDerWaalsContact C-N 3.34Å; F532-K534 PolarHBondContact O-N 2.84Å; K534-K538 WeakPolarHBondContact O-CG 3.21Å; K534-K538 PolarHBondContact O-N 3.26Å |
| 535 | S | 68.7 | Low | 76.2 | Confident | 21 Ų | 21 | 81.8 Ų | 81.8 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.5 | 39.2 | 0 | 0 | 0 | 0 | 113.6 | T531 F532 Y539 | T531-S535 PolarHBondContact O-N 3.42Å; T531-S535 PolarHBondContact O-OG 3.04Å; T531-S535 VanDerWaalsContact O-OG 3.08Å; F532-S535 WeakPolarHBondContact CA-OG 3.33Å; F532-S535 PolarHBondContact O-N 2.81Å; F532-S535 PolarHBondContact O-OG 3.12Å; S535-Y539 PolarHBondContact O-N 3.46Å |
| 536 | A | 70.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 84.7 Ų | 84.7 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | F532 Q533 Y539 | F532-A536 PolarHBondContact O-N 3.03Å; Q533-A536 PolarHBondContact O-N 3.33Å; A536-Y539 PolarHBondContact O-N 3.13Å |
| 537 | N | 74.4 | Confident | 76.9 | Confident | 106 Ų | 106 | 90 Ų | 90 | 57% | 0.567 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.8 | -41 | -179.6 | -79.4 | -17.4 | 0 | 0 | 0 | 112.5 | Q533 Y539 R540 E541 | Q533-N537 PolarHBondContact O-N 2.95Å; N537-Y539 PolarHBondContact O-N 3.03Å; N537-R540 PolarHBondContact O-N 2.97Å; N537-E541 PolarHBondContact O-N 3.5Å |
| 538 | K | 72.3 | Confident | 77.4 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 25% | 0.252 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 176.8 | -73 | -173.6 | 170.3 | -158.1 | 0 | 111.9 | K534 R540 E541 L542 E846 F847 | K534-K538 WeakPolarHBondContact O-CG 3.21Å; K534-K538 PolarHBondContact O-N 3.26Å; K538-R540 PolarHBondContact O-N 3.11Å; K538-E541 PolarHBondContact O-N 3.01Å; K538-L542 PolarHBondContact O-N 3.22Å; K538-L542 VanDerWaalsContact O-N 3.07Å; K538-E846 IonicContact NZ-OE1 2.91Å; K538-E846 PolarHBondContact NZ-OE1 2.65Å; K538-E846 VanDerWaalsContact NZ-OE1 3.08Å; K538-E846 IonicContact NZ-OE2 2.81Å; K538-E846 PolarHBondContact NZ-OE2 3.09Å; K538-F847 VanDerWaalsContact C-CZ 3.44Å; K538-F847 HydrophobicContact CB-CE1 4.06Å; K538-F847 HydrophobicContact CB-CZ 3.56Å |
| 539 | Y | 74.1 | Confident | 78 | Confident | 110 Ų | 110 | 84.1 Ų | 84.1 | 43% | 0.431 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | -176.6 | -115.9 | -71 | 0 | 0 | 0 | 111.9 | S535 A536 N537 E541 L542 E543 F847 | S535-Y539 PolarHBondContact O-N 3.46Å; A536-Y539 PolarHBondContact O-N 3.13Å; N537-Y539 PolarHBondContact O-N 3.03Å; Y539-E541 VanDerWaalsContact C-N 3.35Å; Y539-L542 HydrophobicContact CD1-CD2 4.4Å; Y539-L542 HydrophobicContact CE1-CD2 4.35Å; Y539-L542 WeakPolarHBondContact O-CB 3.39Å; Y539-L542 PolarHBondContact O-N 3.27Å; Y539-E543 PolarHBondContact O-N 3.22Å; Y539-F847 HydrophobicContact CD1-CE1 4.43Å; Y539-F847 HydrophobicContact CD1-CZ 4.41Å; Y539-F847 AromaticContact CD2-CD1 3.44Å; Y539-F847 HydrophobicContact CD2-CD1 3.44Å; Y539-F847 VanDerWaalsContact CD2-CD1 3.44Å; Y539-F847 AromaticContact CD2-CE1 3.06Å; Y539-F847 HydrophobicContact CD2-CE1 3.06Å; Y539-F847 HydrophobicContact CD2-CG 4.36Å; Y539-F847 AromaticContact CD2-CZ 3.74Å; Y539-F847 HydrophobicContact CD2-CZ 3.74Å; Y539-F847 AromaticContact CE2-CD1 3.14Å; Y539-F847 HydrophobicContact CE2-CD1 3.14Å; Y539-F847 AromaticContact CE2-CE1 3.36Å; Y539-F847 HydrophobicContact CE2-CE1 3.36Å; Y539-F847 AromaticContact CE2-CG 3.86Å; Y539-F847 HydrophobicContact CE2-CG 3.86Å; Y539-F847 HydrophobicContact CE2-CZ 4.21Å; Y539-F847 HydrophobicContact CG-CD1 4.26Å; Y539-F847 AromaticContact CG-CE1 3.67Å; Y539-F847 HydrophobicContact CG-CE1 3.67Å; Y539-F847 AromaticContact CG-CZ 3.83Å; Y539-F847 HydrophobicContact CG-CZ 3.83Å; Y539-F847 AromaticContact CZ-CD1 3.77Å |
| 540 | R | 77.1 | Confident | 78.5 | Confident | 186 Ų | 186 | 86.2 Ų | 86.2 | 70% | 0.702 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 172.9 | -90.2 | -177.1 | 179.5 | 163.7 | 1 | 112.8 | N537 K538 L544 | N537-R540 PolarHBondContact O-N 2.97Å; K538-R540 PolarHBondContact O-N 3.11Å; R540-L544 PolarHBondContact O-N 3.35Å |
| 541 | E | 80 | Confident | 79.2 | Confident | 106 Ų | 106 | 89 Ų | 89 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.3 | -73.8 | -177.4 | 167.7 | 0 | 0 | 111.6 | N537 K538 Y539 E543 L544 V545 F843 | N537-E541 PolarHBondContact O-N 3.5Å; K538-E541 PolarHBondContact O-N 3.01Å; Y539-E541 VanDerWaalsContact C-N 3.35Å; E541-E543 PolarHBondContact O-N 3.25Å; E541-L544 PolarHBondContact O-N 3.38Å; E541-V545 WeakPolarHBondContact O-CG2 3.39Å; E541-V545 PolarHBondContact O-N 3.35Å; E541-V545 VanDerWaalsContact O-N 3.09Å; E541-F843 HydrophobicContact CB-CE1 4.44Å; E541-F843 HydrophobicContact CB-CZ 3.99Å |
| 542 | L | 82.9 | Confident | 79.8 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 175.7 | 178.3 | 86.4 | 0 | 0 | 0 | 112.1 | K538 Y539 L544 V545 Q546 I840 F843 F847 | K538-L542 PolarHBondContact O-N 3.22Å; K538-L542 VanDerWaalsContact O-N 3.07Å; Y539-L542 HydrophobicContact CD1-CD2 4.4Å; Y539-L542 HydrophobicContact CE1-CD2 4.35Å; Y539-L542 WeakPolarHBondContact O-CB 3.39Å; Y539-L542 PolarHBondContact O-N 3.27Å; L542-L544 PolarHBondContact O-N 3.06Å; L542-V545 PolarHBondContact O-N 3.07Å; L542-Q546 VanDerWaalsContact O-CG 3.32Å; L542-Q546 WeakPolarHBondContact O-CG 3.5Å; L542-Q546 PolarHBondContact O-N 3.07Å; L542-I840 HydrophobicContact CD1-CG2 4.42Å; L542-F843 HydrophobicContact CB-CB 4.41Å; L542-F843 HydrophobicContact CD1-CB 3.32Å; L542-F843 HydrophobicContact CD1-CD2 4.31Å; L542-F843 HydrophobicContact CD1-CG 4.14Å; L542-F843 HydrophobicContact CG-CB 4.44Å; L542-F847 HydrophobicContact CB-CE2 3.97Å; L542-F847 HydrophobicContact CD1-CE2 4.37Å; L542-F847 HydrophobicContact CD2-CD2 4.16Å; L542-F847 HydrophobicContact CD2-CE2 4.07Å; L542-F847 HydrophobicContact CG-CE2 4.35Å |
| 543 | E | 81.8 | Confident | 80.6 | Confident | 135 Ų | 135 | 84 Ų | 84 | 63% | 0.631 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | -179.9 | -88.2 | -172.3 | 149.8 | 0 | 0 | 112.7 | Y539 E541 Q546 K547 | Y539-E543 PolarHBondContact O-N 3.22Å; E541-E543 PolarHBondContact O-N 3.25Å; E543-Q546 PolarHBondContact O-N 3.04Å; E543-K547 PolarHBondContact O-N 3.35Å; E543-K547 VanDerWaalsContact O-N 3.08Å |
| 544 | L | 83.1 | Confident | 81.3 | Confident | 128 Ų | 128 | 82.6 Ų | 82.6 | 67% | 0.67 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.5 | -46.9 | 178.1 | -101.2 | 152.1 | 0 | 0 | 0 | 111.5 | R540 E541 L542 K547 E548 | R540-L544 PolarHBondContact O-N 3.35Å; E541-L544 PolarHBondContact O-N 3.38Å; L542-L544 PolarHBondContact O-N 3.06Å; L544-K547 PolarHBondContact O-N 3.49Å; L544-E548 PolarHBondContact O-N 3.31Å; L544-E548 VanDerWaalsContact O-N 3.08Å |
| 545 | V | 86.3 | Confident | 82.1 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 12% | 0.121 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 179.2 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | E541 L542 E548 R549 L836 K839 I840 F843 | E541-V545 WeakPolarHBondContact O-CG2 3.39Å; E541-V545 PolarHBondContact O-N 3.35Å; E541-V545 VanDerWaalsContact O-N 3.09Å; L542-V545 PolarHBondContact O-N 3.07Å; V545-E548 PolarHBondContact O-N 3.33Å; V545-R549 PolarHBondContact O-N 2.94Å; V545-L836 HydrophobicContact CG1-CB 4.33Å; V545-L836 HydrophobicContact CG1-CD2 3.76Å; V545-K839 HydrophobicContact CG1-CB 4.13Å; V545-I840 HydrophobicContact CB-CG1 4.39Å; V545-I840 HydrophobicContact CG1-CD1 4.14Å; V545-I840 HydrophobicContact CG1-CG1 3.67Å; V545-F843 HydrophobicContact CG2-CE2 4.22Å |
| 546 | Q | 85.7 | Confident | 83 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 35% | 0.346 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.3 | -76.4 | 177.9 | -2.8 | 0 | 0 | 112.3 | L542 E543 R549 A550 I840 | L542-Q546 VanDerWaalsContact O-CG 3.32Å; L542-Q546 WeakPolarHBondContact O-CG 3.5Å; L542-Q546 PolarHBondContact O-N 3.07Å; E543-Q546 PolarHBondContact O-N 3.04Å; Q546-R549 PolarHBondContact O-N 3.45Å; Q546-A550 PolarHBondContact O-N 2.95Å; Q546-I840 HydrophobicContact CB-CD1 4.44Å; Q546-I840 HydrophobicContact CG-CD1 3.87Å; Q546-I840 HydrophobicContact CG-CG1 3.97Å; Q546-I840 HydrophobicContact CG-CG2 4.28Å |
| 547 | K | 86.4 | Confident | 83.8 | Confident | 156 Ų | 156 | 79.6 Ų | 79.6 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.7 | -37.4 | 178 | -166.7 | 175.2 | -177.3 | 177.1 | 0 | 112.2 | E543 L544 A550 N551 | E543-K547 PolarHBondContact O-N 3.35Å; E543-K547 VanDerWaalsContact O-N 3.08Å; L544-K547 PolarHBondContact O-N 3.49Å; K547-A550 PolarHBondContact O-N 3.46Å; K547-N551 PolarHBondContact O-N 3.4Å |
| 548 | E | 87.6 | Confident | 84.4 | Confident | 94 Ų | 94 | 80.8 Ų | 80.8 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176 | -166 | 175.7 | -175.1 | 0 | 0 | 111.7 | L544 V545 A550 N551 K552 L836 | L544-E548 PolarHBondContact O-N 3.31Å; L544-E548 VanDerWaalsContact O-N 3.08Å; V545-E548 PolarHBondContact O-N 3.33Å; E548-A550 VanDerWaalsContact C-N 3.32Å; E548-A550 PolarHBondContact O-N 3.3Å; E548-N551 PolarHBondContact O-N 3.05Å; E548-K552 WeakPolarHBondContact O-CG 3.12Å; E548-K552 PolarHBondContact O-N 3.46Å; E548-L836 HydrophobicContact CB-CD1 4.17Å; E548-L836 HydrophobicContact CB-CD2 4.5Å; E548-L836 HydrophobicContact CG-CD1 3.87Å; E548-L836 HydrophobicContact CG-CD2 4.48Å |
| 549 | R | 89.1 | Confident | 85.1 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 176.7 | -174.3 | -174.1 | 70.4 | 168.4 | 11 | 111.8 | V545 Q546 N551 K552 L553 E582 E586 L836 T837 I840 | V545-R549 PolarHBondContact O-N 2.94Å; Q546-R549 PolarHBondContact O-N 3.45Å; R549-N551 VanDerWaalsContact C-N 3.34Å; R549-N551 PolarHBondContact O-N 2.83Å; R549-K552 PolarHBondContact O-N 3.45Å; R549-L553 HydrophobicContact CG-CD1 4.12Å; R549-L553 PolarHBondContact O-N 2.99Å; R549-L553 VanDerWaalsContact O-N 3.08Å; R549-E582 IonicContact CZ-OE1 3.69Å; R549-E582 IonicContact NE-OE1 3.62Å; R549-E582 IonicContact NH2-OE1 3.78Å; R549-E582 PolarHBondContact NH2-OE1 3.38Å; R549-E586 IonicContact CZ-OE1 2.99Å; R549-E586 VanDerWaalsContact CZ-OE1 3.31Å; R549-E586 IonicContact NH1-OE1 3.99Å; R549-E586 PolarHBondContact NH1-OE1 3.45Å; R549-E586 IonicContact NH2-OE1 3.58Å; R549-E586 PolarHBondContact NH2-OE1 3.34Å; R549-L836 HydrophobicContact CB-CB 4.04Å; R549-L836 HydrophobicContact CB-CD1 4.32Å; R549-L836 HydrophobicContact CG-CB 4.35Å; R549-T837 WeakPolarHBondContact CD-OG1 3.45Å; R549-I840 HydrophobicContact CB-CD1 4.05Å; R549-I840 HydrophobicContact CG-CD1 4.46Å |
| 550 | A | 87.1 | Confident | 85.6 | Confident | 50 Ų | 50 | 78.9 Ų | 78.9 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q546 K547 E548 K552 E554 | Q546-A550 PolarHBondContact O-N 2.95Å; K547-A550 PolarHBondContact O-N 3.46Å; E548-A550 VanDerWaalsContact C-N 3.32Å; E548-A550 PolarHBondContact O-N 3.3Å; A550-K552 PolarHBondContact O-N 3.33Å; A550-E554 PolarHBondContact O-N 3.08Å |
| 551 | N | 87.1 | Confident | 86 | Confident | 113 Ų | 113 | 74.1 Ų | 74.1 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.8 | -38.5 | 178.6 | -70.8 | -21.7 | 0 | 0 | 0 | 112.7 | K547 E548 R549 E554 G555 | K547-N551 PolarHBondContact O-N 3.4Å; E548-N551 PolarHBondContact O-N 3.05Å; R549-N551 VanDerWaalsContact C-N 3.34Å; R549-N551 PolarHBondContact O-N 2.83Å; N551-E554 PolarHBondContact O-N 3.29Å; N551-G555 PolarHBondContact O-N 3.33Å |
| 552 | K | 88.2 | Confident | 86.4 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 179.4 | -61 | -67.8 | -178.7 | 163.1 | 0 | 111.8 | E548 R549 A550 E554 G555 I556 L829 E832 S833 L836 | E548-K552 WeakPolarHBondContact O-CG 3.12Å; E548-K552 PolarHBondContact O-N 3.46Å; R549-K552 PolarHBondContact O-N 3.45Å; A550-K552 PolarHBondContact O-N 3.33Å; K552-E554 VanDerWaalsContact C-N 3.3Å; K552-E554 PolarHBondContact O-N 2.93Å; K552-G555 PolarHBondContact O-N 3.01Å; K552-G555 VanDerWaalsContact O-N 3.1Å; K552-I556 PolarHBondContact O-N 3.28Å; K552-I556 VanDerWaalsContact O-N 3.15Å; K552-L829 HydrophobicContact CD-CD2 3.71Å; K552-E832 WeakPolarHBondContact CD-OE2 3.36Å; K552-E832 WeakPolarHBondContact CE-OE2 3.32Å; K552-E832 IonicContact NZ-OE2 3.25Å; K552-E832 PolarHBondContact NZ-OE2 3.45Å; K552-S833 WeakPolarHBondContact CB-OG 3.26Å; K552-L836 HydrophobicContact CG-CD1 4.22Å |
| 553 | L | 87.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 174.6 | -81 | 173.5 | 0 | 0 | 0 | 112.8 | R549 G555 I556 R557 E582 L585 | R549-L553 HydrophobicContact CG-CD1 4.12Å; R549-L553 PolarHBondContact O-N 2.99Å; R549-L553 VanDerWaalsContact O-N 3.08Å; L553-G555 VanDerWaalsContact C-N 3.34Å; L553-I556 HydrophobicContact CD2-CD1 4.27Å; L553-I556 PolarHBondContact O-N 3.47Å; L553-R557 PolarHBondContact O-N 2.94Å; L553-E582 HydrophobicContact CD1-CB 3.84Å; L553-E582 HydrophobicContact CD1-CG 3.85Å; L553-L585 HydrophobicContact CD2-CD1 3.72Å |
| 554 | E | 87.5 | Confident | 86.7 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | 175.6 | -174.2 | 56.2 | -155.9 | 0 | 0 | 112.2 | A550 N551 K552 R557 K558 | A550-E554 PolarHBondContact O-N 3.08Å; N551-E554 PolarHBondContact O-N 3.29Å; K552-E554 VanDerWaalsContact C-N 3.3Å; K552-E554 PolarHBondContact O-N 2.93Å; E554-R557 PolarHBondContact O-N 3.07Å; E554-R557 IonicContact OE2-NH1 3.97Å; E554-R557 PolarHBondContact OE2-NH1 3.47Å; E554-K558 WeakPolarHBondContact O-CG 3.36Å; E554-K558 PolarHBondContact O-N 3.13Å; E554-K558 WeakPolarHBondContact OE1-CE 2.99Å |
| 555 | G | 88.3 | Confident | 86.8 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N551 K552 L553 R557 K558 I559 | N551-G555 PolarHBondContact O-N 3.33Å; K552-G555 PolarHBondContact O-N 3.01Å; K552-G555 VanDerWaalsContact O-N 3.1Å; L553-G555 VanDerWaalsContact C-N 3.34Å; G555-R557 PolarHBondContact O-N 2.95Å; G555-K558 PolarHBondContact O-N 3.01Å; G555-I559 WeakPolarHBondContact O-CG1 3.39Å; G555-I559 PolarHBondContact O-N 3.03Å |
| 556 | I | 87.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.9 | -64.5 | 167.6 | 0 | 0 | 0 | 110.9 | K552 L553 K558 I559 R560 V579 L826 L829 E830 | K552-I556 PolarHBondContact O-N 3.28Å; K552-I556 VanDerWaalsContact O-N 3.15Å; L553-I556 HydrophobicContact CD2-CD1 4.27Å; L553-I556 PolarHBondContact O-N 3.47Å; I556-K558 PolarHBondContact O-N 3.37Å; I556-I559 PolarHBondContact O-N 3.08Å; I556-R560 PolarHBondContact O-N 3.35Å; I556-R560 VanDerWaalsContact O-N 3.1Å; I556-V579 HydrophobicContact CG2-CG1 3.31Å; I556-L826 HydrophobicContact CG2-CG 4.4Å; I556-L829 HydrophobicContact CD1-CB 4.12Å; I556-L829 HydrophobicContact CG1-CB 3.54Å; I556-L829 HydrophobicContact CG1-CD1 4.38Å; I556-E830 HydrophobicContact CD1-CB 4.35Å; I556-E830 HydrophobicContact CD1-CG 3.83Å; I556-E830 HydrophobicContact CG1-CG 4.36Å; I556-E830 HydrophobicContact CG2-CG 4.45Å |
| 557 | R | 86.4 | Confident | 86.8 | Confident | 139 Ų | 139 | 71 Ų | 71 | 53% | 0.525 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 179.5 | -69.6 | -179.4 | -161.3 | 157.4 | -0.5 | 112 | L553 E554 G555 I559 R560 S561 | L553-R557 PolarHBondContact O-N 2.94Å; E554-R557 PolarHBondContact O-N 3.07Å; E554-R557 IonicContact OE2-NH1 3.97Å; E554-R557 PolarHBondContact OE2-NH1 3.47Å; G555-R557 PolarHBondContact O-N 2.95Å; R557-I559 PolarHBondContact O-N 3.44Å; R557-R560 PolarHBondContact O-N 3.12Å; R557-S561 PolarHBondContact O-N 3.35Å; R557-S561 PolarHBondContact O-OG 2.93Å |
| 558 | K | 87.9 | Confident | 86.7 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | -179.3 | -72.7 | 177.8 | -179.6 | 178.3 | 0 | 113 | E554 G555 I556 S561 R562 | E554-K558 WeakPolarHBondContact O-CG 3.36Å; E554-K558 PolarHBondContact O-N 3.13Å; E554-K558 WeakPolarHBondContact OE1-CE 2.99Å; G555-K558 PolarHBondContact O-N 3.01Å; I556-K558 PolarHBondContact O-N 3.37Å; K558-S561 PolarHBondContact O-OG 3.24Å; K558-R562 WeakPolarHBondContact O-CB 3.33Å; K558-R562 PolarHBondContact O-N 3.41Å |
| 559 | I | 87 | Confident | 86.6 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.7 | -44 | 178.2 | -64.4 | 172.7 | 0 | 0 | 0 | 110.5 | G555 I556 R557 R562 H563 D822 I825 L826 L829 | G555-I559 WeakPolarHBondContact O-CG1 3.39Å; G555-I559 PolarHBondContact O-N 3.03Å; I556-I559 PolarHBondContact O-N 3.08Å; R557-I559 PolarHBondContact O-N 3.44Å; I559-R562 PolarHBondContact O-N 2.93Å; I559-H563 PolarHBondContact O-N 3.45Å; I559-D822 HydrophobicContact CG2-CB 3.93Å; I559-I825 HydrophobicContact CD1-CB 4.07Å; I559-I825 HydrophobicContact CD1-CG2 3.63Å; I559-L826 HydrophobicContact CB-CD1 4.3Å; I559-L826 HydrophobicContact CG2-CB 4.16Å; I559-L826 HydrophobicContact CG2-CD1 3.97Å; I559-L829 HydrophobicContact CD1-CD1 3.94Å |
| 560 | R | 84.2 | Confident | 86.4 | Confident | 105 Ų | 105 | 69 Ų | 69 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 178 | -177.3 | -176.4 | 174.9 | 174.9 | -3.7 | 112.1 | I556 R557 R562 H563 A564 V579 L826 | I556-R560 PolarHBondContact O-N 3.35Å; I556-R560 VanDerWaalsContact O-N 3.1Å; R557-R560 PolarHBondContact O-N 3.12Å; R560-R562 VanDerWaalsContact C-N 3.31Å; R560-R562 PolarHBondContact O-N 2.9Å; R560-H563 PolarHBondContact O-N 2.99Å; R560-A564 PolarHBondContact O-N 3.42Å; R560-V579 HydrophobicContact CG-CG2 4.35Å; R560-L826 HydrophobicContact CB-CD1 4.43Å |
| 561 | S | 85.9 | Confident | 86.2 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.1 | -34.3 | -179.7 | 61 | 0 | 0 | 0 | 0 | 112.4 | R557 K558 H563 | R557-S561 PolarHBondContact O-N 3.35Å; R557-S561 PolarHBondContact O-OG 2.93Å; K558-S561 PolarHBondContact O-OG 3.24Å; S561-H563 VanDerWaalsContact C-N 3.3Å; S561-H563 PolarHBondContact O-N 2.98Å |
| 562 | R | 87.6 | Confident | 85.4 | Confident | 169 Ų | 169 | 65.1 Ų | 65.1 | 64% | 0.638 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66 | -29.8 | 179.7 | 177.2 | 174.1 | 155 | -142.2 | -18.2 | 113.2 | K558 I559 R560 D822 | K558-R562 WeakPolarHBondContact O-CB 3.33Å; K558-R562 PolarHBondContact O-N 3.41Å; I559-R562 PolarHBondContact O-N 2.93Å; R560-R562 VanDerWaalsContact C-N 3.31Å; R560-R562 PolarHBondContact O-N 2.9Å; R562-D822 IonicContact CZ-OD2 3Å; R562-D822 IonicContact NE-OD2 2.69Å; R562-D822 IonicContact NH1-OD1 2.65Å; R562-D822 IonicContact NH1-OD2 3.79Å; R562-D822 PolarHBondContact NH1-OD2 2.73Å; R562-D822 IonicContact NH2-OD2 3.8Å; R562-D822 PolarHBondContact NH2-OD2 2.91Å |
| 563 | H | 86.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 66.8 Ų | 66.8 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 16.1 | -175.4 | -66.4 | -63.4 | 0 | 0 | 0 | 114 | I559 R560 S561 E565 A566 L567 V819 D822 | I559-H563 PolarHBondContact O-N 3.45Å; R560-H563 PolarHBondContact O-N 2.99Å; S561-H563 VanDerWaalsContact C-N 3.3Å; S561-H563 PolarHBondContact O-N 2.98Å; H563-E565 PolarHBondContact O-N 2.94Å; H563-A566 PolarHBondContact O-N 3.47Å; H563-L567 WeakPolarHBondContact O-CB 3.24Å; H563-L567 VanDerWaalsContact O-CG 3.29Å; H563-L567 WeakPolarHBondContact O-CG 3.5Å; H563-L567 PolarHBondContact O-N 3.04Å; H563-V819 HydrophobicContact CB-CG1 4.06Å; H563-D822 IonicContact CD2-OD2 2.76Å; H563-D822 IonicContact CE1-OD2 2.91Å; H563-D822 WeakPolarHBondContact NE2-CB 3.49Å; H563-D822 IonicContact NE2-OD2 2.8Å; H563-D822 PolarHBondContact NE2-OD2 2.83Å |
| 564 | A | 84.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.6 | -50 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R560 A566 L567 E568 | R560-A564 PolarHBondContact O-N 3.42Å; A564-A566 PolarHBondContact O-N 3.03Å; A564-L567 PolarHBondContact O-N 3.28Å; A564-E568 WeakPolarHBondContact O-CG 3.25Å; A564-E568 PolarHBondContact O-N 3.23Å |
| 565 | E | 84.9 | Confident | 83.2 | Confident | 165 Ų | 165 | 72.2 Ų | 72.2 | 77% | 0.771 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 178.5 | -64.2 | 176.3 | -178.6 | 0 | 0 | 111.9 | H563 L567 E568 Q569 | H563-E565 PolarHBondContact O-N 2.94Å; E565-L567 PolarHBondContact O-N 2.96Å; E565-E568 PolarHBondContact O-N 3.08Å; E565-Q569 PolarHBondContact O-N 3.36Å |
| 566 | A | 86 | Confident | 82.7 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | H563 A564 Q569 I570 L815 V819 | H563-A566 PolarHBondContact O-N 3.47Å; A564-A566 PolarHBondContact O-N 3.03Å; A566-Q569 PolarHBondContact O-N 3.49Å; A566-I570 WeakPolarHBondContact O-CB 3.2Å; A566-I570 VanDerWaalsContact O-CD1 3.29Å; A566-I570 WeakPolarHBondContact O-CD1 3.07Å; A566-I570 WeakPolarHBondContact O-CG1 3.46Å; A566-I570 PolarHBondContact O-N 3.36Å; A566-L815 HydrophobicContact CB-CD1 3.92Å; A566-L815 HydrophobicContact CB-CD2 4.15Å; A566-L815 HydrophobicContact CB-CG 4.01Å; A566-V819 HydrophobicContact CB-CG2 3.79Å |
| 567 | L | 85.3 | Confident | 82.1 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 175.6 | -70 | 170.2 | 0 | 0 | 0 | 111.6 | H563 A564 E565 Q569 I570 F571 I576 L604 F608 V819 | H563-L567 WeakPolarHBondContact O-CB 3.24Å; H563-L567 VanDerWaalsContact O-CG 3.29Å; H563-L567 WeakPolarHBondContact O-CG 3.5Å; H563-L567 PolarHBondContact O-N 3.04Å; A564-L567 PolarHBondContact O-N 3.28Å; E565-L567 PolarHBondContact O-N 2.96Å; L567-Q569 VanDerWaalsContact C-N 3.34Å; L567-Q569 PolarHBondContact O-N 3.41Å; L567-I570 PolarHBondContact O-N 3.36Å; L567-F571 HydrophobicContact CD2-CD2 4.36Å; L567-F571 HydrophobicContact CD2-CE2 4Å; L567-F571 WeakPolarHBondContact O-CB 3.46Å; L567-F571 WeakPolarHBondContact O-CD2 3.24Å; L567-F571 PolarHBondContact O-N 2.91Å; L567-I576 HydrophobicContact CB-CD1 4.2Å; L567-I576 HydrophobicContact CB-CG2 4.47Å; L567-L604 HydrophobicContact CD1-CD2 4.09Å; L567-L604 HydrophobicContact CD2-CD1 4.34Å; L567-F608 HydrophobicContact CD2-CD2 3.99Å; L567-F608 HydrophobicContact CD2-CE2 4.07Å; L567-V819 HydrophobicContact CD2-CG1 4.47Å |
| 568 | E | 85.8 | Confident | 81.3 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 61% | 0.612 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 174.9 | -76.2 | 177.9 | -176 | 0 | 0 | 112.5 | A564 E565 S572 I576 | A564-E568 WeakPolarHBondContact O-CG 3.25Å; A564-E568 PolarHBondContact O-N 3.23Å; E565-E568 PolarHBondContact O-N 3.08Å; E568-S572 PolarHBondContact O-N 3.45Å; E568-S572 VanDerWaalsContact O-N 3.17Å; E568-I576 HydrophobicContact CB-CD1 4.43Å; E568-I576 HydrophobicContact CG-CD1 3.66Å |
| 569 | Q | 84.7 | Confident | 80.6 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -49.8 | 175.9 | -175.6 | 175.6 | -17.7 | 0 | 0 | 112.1 | E565 A566 L567 F571 S572 D812 L815 | E565-Q569 PolarHBondContact O-N 3.36Å; A566-Q569 PolarHBondContact O-N 3.49Å; L567-Q569 VanDerWaalsContact C-N 3.34Å; L567-Q569 PolarHBondContact O-N 3.41Å; Q569-F571 VanDerWaalsContact C-N 3.29Å; Q569-F571 PolarHBondContact O-N 2.73Å; Q569-S572 VanDerWaalsContact O-CB 3.28Å; Q569-S572 WeakPolarHBondContact O-CB 3.42Å; Q569-S572 PolarHBondContact O-N 3.02Å; Q569-S572 VanDerWaalsContact O-N 3.14Å; Q569-S572 PolarHBondContact O-OG 2.97Å; Q569-D812 PolarHBondContact NE2-OD1 3.14Å; Q569-L815 HydrophobicContact CB-CD2 3.97Å; Q569-L815 VanDerWaalsContact CD-CD2 3.48Å; Q569-L815 HydrophobicContact CG-CD2 4.04Å; Q569-L815 VanDerWaalsContact OE1-CD2 3.28Å |
| 570 | I | 85.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | -176.2 | -67.2 | 163 | 0 | 0 | 0 | 112.1 | A566 L567 F608 R611 L615 L815 A816 V819 | A566-I570 WeakPolarHBondContact O-CB 3.2Å; A566-I570 VanDerWaalsContact O-CD1 3.29Å; A566-I570 WeakPolarHBondContact O-CD1 3.07Å; A566-I570 WeakPolarHBondContact O-CG1 3.46Å; A566-I570 PolarHBondContact O-N 3.36Å; L567-I570 PolarHBondContact O-N 3.36Å; I570-F608 HydrophobicContact CD1-CE2 3.71Å; I570-F608 HydrophobicContact CD1-CZ 4.16Å; I570-F608 HydrophobicContact CG2-CE2 4.17Å; I570-R611 HydrophobicContact CG2-CG 3.92Å; I570-R611 PolarHBondContact O-NE 3.45Å; I570-R611 VanDerWaalsContact O-NE 3.16Å; I570-L615 HydrophobicContact CG2-CD1 4.31Å; I570-L815 HydrophobicContact CD1-CG 4.26Å; I570-L815 HydrophobicContact CG1-CD2 4.28Å; I570-L815 HydrophobicContact CG1-CG 4.44Å; I570-A816 HydrophobicContact CD1-CB 3.77Å; I570-A816 HydrophobicContact CG1-CB 4.17Å; I570-A816 HydrophobicContact CG2-CB 4.45Å; I570-V819 HydrophobicContact CD1-CG2 4.43Å |
| 571 | F | 82.8 | Confident | 79.4 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 13.6 | 178.3 | -71.8 | -72 | 0 | 0 | 0 | 113.6 | L567 Q569 G573 S574 I576 L604 V607 F608 R611 | L567-F571 HydrophobicContact CD2-CD2 4.36Å; L567-F571 HydrophobicContact CD2-CE2 4Å; L567-F571 WeakPolarHBondContact O-CB 3.46Å; L567-F571 WeakPolarHBondContact O-CD2 3.24Å; L567-F571 PolarHBondContact O-N 2.91Å; Q569-F571 VanDerWaalsContact C-N 3.29Å; Q569-F571 PolarHBondContact O-N 2.73Å; F571-G573 PolarHBondContact O-N 3.29Å; F571-S574 WeakPolarHBondContact O-CA 3.31Å; F571-S574 PolarHBondContact O-N 3.35Å; F571-S574 PolarHBondContact O-OG 3.39Å; F571-I576 HydrophobicContact CB-CG1 4.05Å; F571-I576 HydrophobicContact CD2-CG1 4.23Å; F571-I576 HydrophobicContact CG-CG1 4.41Å; F571-L604 HydrophobicContact CE2-CD1 4.21Å; F571-V607 HydrophobicContact CE1-CG1 3.81Å; F571-V607 HydrophobicContact CZ-CG1 4.15Å; F571-F608 HydrophobicContact CE2-CD2 4.01Å; F571-F608 HydrophobicContact CZ-CB 4.23Å; F571-F608 HydrophobicContact CZ-CD2 4.23Å; F571-R611 HydrophobicContact CD1-CG 4.37Å; F571-R611 HydrophobicContact CE1-CB 3.97Å; F571-R611 HydrophobicContact CE1-CG 4.11Å; F571-R611 HydrophobicContact CZ-CB 4.41Å |
| 572 | S | 71.1 | Confident | 79 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 53% | 0.531 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 107.9 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 112 | E568 Q569 | E568-S572 PolarHBondContact O-N 3.45Å; E568-S572 VanDerWaalsContact O-N 3.17Å; Q569-S572 VanDerWaalsContact O-CB 3.28Å; Q569-S572 WeakPolarHBondContact O-CB 3.42Å; Q569-S572 PolarHBondContact O-N 3.02Å; Q569-S572 VanDerWaalsContact O-N 3.14Å; Q569-S572 PolarHBondContact O-OG 2.97Å |
| 573 | G | 71 | Confident | 78.6 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 94% | 0.938 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.3 | -4.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | F571 | F571-G573 PolarHBondContact O-N 3.29Š|
| 574 | S | 71.5 | Confident | 78 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -127 | 150.4 | -178.6 | -17 | 0 | 0 | 0 | 0 | 110.6 | F571 I576 | F571-S574 WeakPolarHBondContact O-CA 3.31Å; F571-S574 PolarHBondContact O-N 3.35Å; F571-S574 PolarHBondContact O-OG 3.39Å; S574-I576 PolarHBondContact O-N 3.37Å |
| 575 | V | 74 | Confident | 77.8 | Confident | 135 Ų | 135 | 61.4 Ų | 61.4 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 123.9 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | P577 | V575-P577 WeakPolarHBondContact O-CD 3.47Š|
| 576 | I | 77 | Confident | 77.3 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 122.1 | 174.1 | -56.9 | 171.3 | 0 | 0 | 0 | 108.3 | L567 E568 F571 S574 L604 | L567-I576 HydrophobicContact CB-CD1 4.2Å; L567-I576 HydrophobicContact CB-CG2 4.47Å; E568-I576 HydrophobicContact CB-CD1 4.43Å; E568-I576 HydrophobicContact CG-CD1 3.66Å; F571-I576 HydrophobicContact CB-CG1 4.05Å; F571-I576 HydrophobicContact CD2-CG1 4.23Å; F571-I576 HydrophobicContact CG-CG1 4.41Å; S574-I576 PolarHBondContact O-N 3.37Å; I576-L604 HydrophobicContact CG2-CD1 4.1Å |
| 577 | P | 74.1 | Confident | 76.9 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 148.6 | -178.1 | -19.1 | 27.2 | 0 | 0 | 0 | 113.7 | V575 T602 L604 V607 | V575-P577 WeakPolarHBondContact O-CD 3.47Å; P577-T602 WeakPolarHBondContact CB-O 3.43Å; P577-L604 HydrophobicContact CB-CD1 4.36Å; P577-L604 HydrophobicContact CG-CD1 4.14Å; P577-V607 HydrophobicContact CB-CG2 4.46Å; P577-V607 HydrophobicContact CG-CB 3.67Å; P577-V607 HydrophobicContact CG-CG1 3.71Å; P577-V607 HydrophobicContact CG-CG2 3.76Å |
| 578 | F | 70.7 | Confident | 76.2 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 55% | 0.548 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 143.2 | -178.5 | -175 | -98.6 | 0 | 0 | 0 | 111.7 | T581 | F578-T581 HydrophobicContact CE1-CG2 4.34Å; F578-T581 HydrophobicContact CE2-CG2 4.28Å; F578-T581 HydrophobicContact CZ-CG2 3.6Å |
| 579 | V | 73 | Confident | 75.4 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | trans | -108.4 | 139 | 176 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | I556 R560 T581 L604 L826 E830 | I556-V579 HydrophobicContact CG2-CG1 3.31Å; R560-V579 HydrophobicContact CG-CG2 4.35Å; V579-T581 PolarHBondContact O-N 2.92Å; V579-L604 HydrophobicContact CG2-CB 4.42Å; V579-L604 HydrophobicContact CG2-CD2 3.72Å; V579-L826 HydrophobicContact CG1-CD1 4.37Å; V579-L826 HydrophobicContact CG1-CD2 4.16Å; V579-E830 WeakPolarHBondContact CG1-OE1 3.28Å | ||
| 580 | A | 70 | Confident | 74.8 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | trans | -57.4 | 130.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L585 F597 E830 | A580-L585 HydrophobicContact CB-CD1 4.39Å; A580-L585 HydrophobicContact CB-CD2 3.89Å; A580-L585 HydrophobicContact CB-CG 4.02Å; A580-F597 HydrophobicContact CB-CZ 4.3Å; A580-E830 HydrophobicContact CB-CG 4.1Å; A580-E830 PolarHBondContact N-OE1 3.47Å | ||
| 581 | T | 75.9 | Confident | 74 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | trans | -108.7 | 163.2 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | F578 V579 K583 S584 L585 | F578-T581 HydrophobicContact CE1-CG2 4.34Å; F578-T581 HydrophobicContact CE2-CG2 4.28Å; F578-T581 HydrophobicContact CZ-CG2 3.6Å; V579-T581 PolarHBondContact O-N 2.92Å; T581-K583 VanDerWaalsContact C-N 3.3Å; T581-K583 PolarHBondContact O-N 3.25Å; T581-S584 PolarHBondContact N-OG 3.23Å; T581-S584 PolarHBondContact O-N 2.98Å; T581-S584 PolarHBondContact O-OG 3.29Å; T581-S584 WeakPolarHBondContact OG1-CB 3.45Å; T581-S584 PolarHBondContact OG1-N 3.41Å; T581-S584 PolarHBondContact OG1-OG 3.45Å; T581-S584 VanDerWaalsContact OG1-OG 3.05Å; T581-L585 WeakPolarHBondContact O-CG 3.37Å; T581-L585 PolarHBondContact O-N 3.05Å | ||
| 582 | E | 77.6 | Confident | 73.6 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 179 | -167.9 | 162.1 | -160.7 | 0 | 0 | 112.2 | R549 L553 L585 E586 | R549-E582 IonicContact CZ-OE1 3.69Å; R549-E582 IonicContact NE-OE1 3.62Å; R549-E582 IonicContact NH2-OE1 3.78Å; R549-E582 PolarHBondContact NH2-OE1 3.38Å; L553-E582 HydrophobicContact CD1-CB 3.84Å; L553-E582 HydrophobicContact CD1-CG 3.85Å; E582-L585 PolarHBondContact O-N 3.43Å; E582-E586 WeakPolarHBondContact O-CG 3.37Å; E582-E586 PolarHBondContact O-N 3.23Å |
| 583 | K | 78.4 | Confident | 73.7 | Confident | 158 Ų | 158 | 70.5 Ų | 70.5 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.3 | -46.3 | 175.7 | -72.5 | -175 | 175.8 | -176.5 | 0 | 112.8 | T581 L585 E586 E587 | T581-K583 VanDerWaalsContact C-N 3.3Å; T581-K583 PolarHBondContact O-N 3.25Å; K583-L585 VanDerWaalsContact C-N 3.31Å; K583-L585 PolarHBondContact O-N 2.9Å; K583-E586 PolarHBondContact O-N 3.42Å; K583-E587 WeakPolarHBondContact O-CG 2.98Å; K583-E587 PolarHBondContact O-N 3.28Å |
| 584 | S | 75.6 | Confident | 73.8 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.3 | -34.6 | -179.1 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | T581 Q588 | T581-S584 PolarHBondContact N-OG 3.23Å; T581-S584 PolarHBondContact O-N 2.98Å; T581-S584 PolarHBondContact O-OG 3.29Å; T581-S584 WeakPolarHBondContact OG1-CB 3.45Å; T581-S584 PolarHBondContact OG1-N 3.41Å; T581-S584 PolarHBondContact OG1-OG 3.45Å; T581-S584 VanDerWaalsContact OG1-OG 3.05Å; S584-Q588 VanDerWaalsContact O-CB 3.3Å; S584-Q588 WeakPolarHBondContact O-CB 3.41Å; S584-Q588 VanDerWaalsContact O-CG 3.23Å; S584-Q588 WeakPolarHBondContact O-CG 3.45Å; S584-Q588 PolarHBondContact O-N 2.91Å; S584-Q588 VanDerWaalsContact O-N 3.13Å |
| 585 | L | 78.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.1 | -42 | 173.8 | -70.8 | 176.4 | 0 | 0 | 0 | 111.1 | L553 A580 T581 E582 K583 E587 Q588 A589 F597 Y834 T837 | L553-L585 HydrophobicContact CD2-CD1 3.72Å; A580-L585 HydrophobicContact CB-CD1 4.39Å; A580-L585 HydrophobicContact CB-CD2 3.89Å; A580-L585 HydrophobicContact CB-CG 4.02Å; T581-L585 WeakPolarHBondContact O-CG 3.37Å; T581-L585 PolarHBondContact O-N 3.05Å; E582-L585 PolarHBondContact O-N 3.43Å; K583-L585 VanDerWaalsContact C-N 3.31Å; K583-L585 PolarHBondContact O-N 2.9Å; L585-E587 PolarHBondContact O-N 2.73Å; L585-Q588 PolarHBondContact O-N 3.44Å; L585-A589 WeakPolarHBondContact O-CA 3.32Å; L585-A589 WeakPolarHBondContact O-CB 3.43Å; L585-A589 PolarHBondContact O-N 3.24Å; L585-F597 HydrophobicContact CD2-CE2 4.03Å; L585-F597 HydrophobicContact CD2-CZ 3.75Å; L585-Y834 HydrophobicContact CD2-CD2 3.77Å; L585-Y834 HydrophobicContact CD2-CG 4.35Å; L585-T837 HydrophobicContact CB-CG2 4.36Å |
| 586 | E | 76.1 | Confident | 74 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.9 | -74.4 | -178.6 | 167.5 | 0 | 0 | 113 | R549 E582 K583 T837 | R549-E586 IonicContact CZ-OE1 2.99Å; R549-E586 VanDerWaalsContact CZ-OE1 3.31Å; R549-E586 IonicContact NH1-OE1 3.99Å; R549-E586 PolarHBondContact NH1-OE1 3.45Å; R549-E586 IonicContact NH2-OE1 3.58Å; R549-E586 PolarHBondContact NH2-OE1 3.34Å; E582-E586 WeakPolarHBondContact O-CG 3.37Å; E582-E586 PolarHBondContact O-N 3.23Å; K583-E586 PolarHBondContact O-N 3.42Å; E586-T837 HydrophobicContact CG-CG2 4.12Å |
| 587 | E | 76.8 | Confident | 74 | Confident | 164 Ų | 164 | 70.7 Ų | 70.7 | 77% | 0.766 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.7 | -33.8 | 175.9 | -71.6 | 171.3 | -175.2 | 0 | 0 | 112.8 | K583 L585 | K583-E587 WeakPolarHBondContact O-CG 2.98Å; K583-E587 PolarHBondContact O-N 3.28Å; L585-E587 PolarHBondContact O-N 2.73Å |
| 588 | Q | 70.8 | Confident | 74.1 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -92.3 | -17.5 | -177.9 | -68.1 | 179.8 | -0.5 | 0 | 0 | 114.2 | S584 L585 N590 Y834 | S584-Q588 VanDerWaalsContact O-CB 3.3Å; S584-Q588 WeakPolarHBondContact O-CB 3.41Å; S584-Q588 VanDerWaalsContact O-CG 3.23Å; S584-Q588 WeakPolarHBondContact O-CG 3.45Å; S584-Q588 PolarHBondContact O-N 2.91Å; S584-Q588 VanDerWaalsContact O-N 3.13Å; L585-Q588 PolarHBondContact O-N 3.44Å; Q588-N590 PolarHBondContact O-N 3.19Å; Q588-Y834 HydrophobicContact CB-CE2 4.24Å; Q588-Y834 PolarHBondContact O-OH 3.49Å; Q588-Y834 VanDerWaalsContact O-OH 3.11Å |
| 589 | A | 68.6 | Low | 74.2 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | trans | -67.4 | 88.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L585 T837 V838 N841 | L585-A589 WeakPolarHBondContact O-CA 3.32Å; L585-A589 WeakPolarHBondContact O-CB 3.43Å; L585-A589 PolarHBondContact O-N 3.24Å; A589-T837 HydrophobicContact CB-CG2 3.4Å; A589-T837 VanDerWaalsContact CB-CG2 3.4Å; A589-V838 HydrophobicContact CB-CG2 4.19Å; A589-N841 WeakPolarHBondContact CB-ND2 3.24Å; A589-N841 PolarHBondContact O-ND2 3.26Å; A589-N841 VanDerWaalsContact O-ND2 3.15Å | ||
| 590 | N | 71.8 | Confident | 74.3 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 35% | 0.353 | 38% | 0.376 | S | S | . | . | trans | -119.2 | 130.2 | 169.6 | -173.5 | -25.1 | 0 | 0 | 0 | 108.9 | Q588 N592 N593 Y834 | Q588-N590 PolarHBondContact O-N 3.19Å; N590-N592 PolarHBondContact O-N 2.89Å; N590-N592 VanDerWaalsContact O-N 3.12Å; N590-N592 PolarHBondContact OD1-N 3.49Å; N590-N593 HydrophobicContact CB-CB 4.21Å; N590-N593 PolarHBondContact O-N 2.9Å; N590-Y834 PolarHBondContact N-OH 2.91Å; N590-Y834 PolarHBondContact O-OH 3.23Å; N590-Y834 VanDerWaalsContact O-OH 3.07Å | ||
| 591 | P | 69.3 | Low | 74.6 | Confident | 57 Ų | 57 | 80 Ų | 80 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -55.3 | -28.3 | 177.1 | 18.1 | -30 | 0 | 0 | 0 | 114 | N593 V838 | P591-N593 VanDerWaalsContact C-N 3.3Å; P591-N593 PolarHBondContact O-N 2.82Å; P591-V838 HydrophobicContact CB-CG1 3.77Å; P591-V838 HydrophobicContact CG-CG1 4.5Å |
| 592 | N | 73.8 | Confident | 74.6 | Confident | 141 Ų | 141 | 81.8 Ų | 81.8 | 75% | 0.754 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -76.6 | -15 | 177.9 | -67.4 | -18.4 | 0 | 0 | 0 | 113.8 | N590 | N590-N592 PolarHBondContact O-N 2.89Å; N590-N592 VanDerWaalsContact O-N 3.12Å; N590-N592 PolarHBondContact OD1-N 3.49Å |
| 593 | N | 72.9 | Confident | 74.8 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -104.8 | 7.4 | -172.2 | -73.7 | -1 | 0 | 0 | 0 | 114.3 | N590 P591 R595 S596 F597 | N590-N593 HydrophobicContact CB-CB 4.21Å; N590-N593 PolarHBondContact O-N 2.9Å; P591-N593 VanDerWaalsContact C-N 3.3Å; P591-N593 PolarHBondContact O-N 2.82Å; N593-R595 VanDerWaalsContact C-N 3.3Å; N593-R595 PolarHBondContact O-N 3.16Å; N593-S596 WeakPolarHBondContact CB-OG 3.29Å; N593-S596 PolarHBondContact O-N 2.84Å; N593-S596 PolarHBondContact O-OG 3.16Å; N593-F597 PolarHBondContact O-N 3.43Å |
| 594 | I | 73.5 | Confident | 75 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 178.9 | -63.4 | 164 | 0 | 0 | 0 | 111.4 | S596 F597 I598 Y834 V838 | I594-S596 PolarHBondContact O-N 3.35Å; I594-F597 PolarHBondContact O-N 2.91Å; I594-I598 HydrophobicContact CG2-CD1 3.84Å; I594-I598 WeakPolarHBondContact O-CG1 3.27Å; I594-I598 PolarHBondContact O-N 2.68Å; I594-Y834 HydrophobicContact CB-CE1 4.16Å; I594-Y834 HydrophobicContact CG1-CD1 4.26Å; I594-Y834 HydrophobicContact CG1-CE1 3.68Å; I594-V838 HydrophobicContact CD1-CG1 4.47Å; I594-V838 HydrophobicContact CG1-CG2 4.33Å |
| 595 | R | 73.5 | Confident | 75.4 | Confident | 210 Ų | 210 | 75.6 Ų | 75.6 | 79% | 0.792 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.2 | -34.9 | 177.1 | -85.8 | -175.8 | 179.5 | 163.6 | 0.9 | 113.3 | N593 N599 | N593-R595 VanDerWaalsContact C-N 3.3Å; N593-R595 PolarHBondContact O-N 3.16Å; R595-N599 WeakPolarHBondContact O-CB 3.42Å; R595-N599 PolarHBondContact O-N 3.21Å; R595-N599 VanDerWaalsContact O-N 3.14Å |
| 596 | S | 77 | Confident | 75.6 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 48% | 0.483 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 178.8 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | N593 I594 N599 D600 | N593-S596 WeakPolarHBondContact CB-OG 3.29Å; N593-S596 PolarHBondContact O-N 2.84Å; N593-S596 PolarHBondContact O-OG 3.16Å; I594-S596 PolarHBondContact O-N 3.35Å; S596-N599 PolarHBondContact O-N 3.4Å; S596-D600 PolarHBondContact O-N 2.93Å; S596-D600 VanDerWaalsContact O-N 3.08Å |
| 597 | F | 77.3 | Confident | 76.1 | Confident | 15 Ų | 15 | 76 Ų | 76 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 174.8 | -175.4 | -95.5 | 0 | 0 | 0 | 112 | A580 L585 N593 I594 N599 D600 R603 Y834 | A580-F597 HydrophobicContact CB-CZ 4.3Å; L585-F597 HydrophobicContact CD2-CE2 4.03Å; L585-F597 HydrophobicContact CD2-CZ 3.75Å; N593-F597 PolarHBondContact O-N 3.43Å; I594-F597 PolarHBondContact O-N 2.91Å; F597-N599 VanDerWaalsContact C-N 3.29Å; F597-N599 PolarHBondContact O-N 2.84Å; F597-D600 PolarHBondContact O-N 2.85Å; F597-R603 VanDerWaalsContact O-CD 3.31Å; F597-R603 WeakPolarHBondContact O-CD 3.43Å; F597-Y834 HydrophobicContact CB-CD1 4.37Å; F597-Y834 HydrophobicContact CB-CD2 4.1Å; F597-Y834 HydrophobicContact CB-CE1 4.18Å; F597-Y834 HydrophobicContact CB-CE2 3.89Å; F597-Y834 HydrophobicContact CB-CG 4.36Å; F597-Y834 HydrophobicContact CD1-CD1 4.14Å; F597-Y834 AromaticContact CD1-CD2 3.69Å; F597-Y834 HydrophobicContact CD1-CD2 3.69Å; F597-Y834 HydrophobicContact CD1-CE2 4.35Å; F597-Y834 AromaticContact CD1-CG 3.58Å; F597-Y834 HydrophobicContact CD1-CG 3.58Å; F597-Y834 AromaticContact CD2-CD2 3.57Å; F597-Y834 HydrophobicContact CD2-CD2 3.57Å; F597-Y834 AromaticContact CD2-CE2 3.74Å; F597-Y834 HydrophobicContact CD2-CE2 3.74Å; F597-Y834 HydrophobicContact CD2-CG 4.33Å; F597-Y834 AromaticContact CE1-CD2 3.95Å; F597-Y834 HydrophobicContact CE1-CD2 3.95Å; F597-Y834 AromaticContact CE1-CG 3.89Å; F597-Y834 HydrophobicContact CE1-CG 3.89Å; F597-Y834 AromaticContact CE2-CD2 3.84Å; F597-Y834 HydrophobicContact CE2-CD2 3.84Å; F597-Y834 HydrophobicContact CE2-CE2 4.37Å; F597-Y834 HydrophobicContact CG-CD1 4.3Å; F597-Y834 AromaticContact CG-CD2 3.49Å; F597-Y834 HydrophobicContact CG-CD2 3.49Å; F597-Y834 VanDerWaalsContact CG-CD2 3.49Å; F597-Y834 AromaticContact CG-CE2 3.72Å; F597-Y834 HydrophobicContact CG-CE2 3.72Å; F597-Y834 AromaticContact CG-CG 3.82Å; F597-Y834 HydrophobicContact CG-CG 3.82Å; F597-Y834 HydrophobicContact CZ-CD2 4.02Å; F597-Y834 HydrophobicContact CZ-CG 4.39Å |
| 598 | I | 75.3 | Confident | 76.6 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.7 | -67.9 | 169.3 | 0 | 0 | 0 | 111.3 | I594 | I594-I598 HydrophobicContact CG2-CD1 3.84Å; I594-I598 WeakPolarHBondContact O-CG1 3.27Å; I594-I598 PolarHBondContact O-N 2.68Å |
| 599 | N | 72.9 | Confident | 77.4 | Confident | 117 Ų | 117 | 66 Ų | 66 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 9.1 | -176.7 | -71.1 | -19.2 | 0 | 0 | 0 | 114.7 | R595 S596 F597 Q601 | R595-N599 WeakPolarHBondContact O-CB 3.42Å; R595-N599 PolarHBondContact O-N 3.21Å; R595-N599 VanDerWaalsContact O-N 3.14Å; S596-N599 PolarHBondContact O-N 3.4Å; F597-N599 VanDerWaalsContact C-N 3.29Å; F597-N599 PolarHBondContact O-N 2.84Å; N599-Q601 PolarHBondContact O-N 3.05Å |
| 600 | D | 75.3 | Confident | 78.3 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | trans | -65.6 | 110.5 | -178.3 | -174 | -11 | 0 | 0 | 0 | 110.5 | S596 F597 T602 R603 I606 | S596-D600 PolarHBondContact O-N 2.93Å; S596-D600 VanDerWaalsContact O-N 3.08Å; F597-D600 PolarHBondContact O-N 2.85Å; D600-T602 PolarHBondContact O-N 3.38Å; D600-T602 VanDerWaalsContact O-N 3.09Å; D600-T602 WeakPolarHBondContact OD1-CB 3.43Å; D600-T602 PolarHBondContact OD1-N 3.04Å; D600-T602 PolarHBondContact OD1-OG1 3.38Å; D600-T602 PolarHBondContact OD2-OG1 3.18Å; D600-T602 VanDerWaalsContact OD2-OG1 3.14Å; D600-R603 HydrophobicContact CB-CG 4.05Å; D600-R603 WeakPolarHBondContact O-CB 3.34Å; D600-R603 WeakPolarHBondContact O-CG 3.23Å; D600-R603 PolarHBondContact O-N 2.7Å; D600-I606 WeakPolarHBondContact O-CD1 3.46Å | ||
| 601 | Q | 76.2 | Confident | 79 | Confident | 123 Ų | 123 | 69.9 Ų | 69.9 | 58% | 0.575 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.1 | -177.4 | -69.3 | -149.3 | 14.5 | 0 | 0 | 113.8 | N599 V607 | N599-Q601 PolarHBondContact O-N 3.05Å; Q601-V607 WeakPolarHBondContact O-CG2 3.09Å |
| 602 | T | 76.5 | Confident | 79.9 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 57% | 0.571 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.4 | 174.8 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | P577 D600 | P577-T602 WeakPolarHBondContact CB-O 3.43Å; D600-T602 PolarHBondContact O-N 3.38Å; D600-T602 VanDerWaalsContact O-N 3.09Å; D600-T602 WeakPolarHBondContact OD1-CB 3.43Å; D600-T602 PolarHBondContact OD1-N 3.04Å; D600-T602 PolarHBondContact OD1-OG1 3.38Å; D600-T602 PolarHBondContact OD2-OG1 3.18Å; D600-T602 VanDerWaalsContact OD2-OG1 3.14Å |
| 603 | R | 80.6 | Confident | 80.6 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 4% | 0.038 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -68.6 | 142.7 | -179.7 | -69.8 | -178.6 | 68.6 | -172.8 | 7.2 | 112.7 | F597 D600 R605 I606 V607 E827 E830 N831 | F597-R603 VanDerWaalsContact O-CD 3.31Å; F597-R603 WeakPolarHBondContact O-CD 3.43Å; D600-R603 HydrophobicContact CB-CG 4.05Å; D600-R603 WeakPolarHBondContact O-CB 3.34Å; D600-R603 WeakPolarHBondContact O-CG 3.23Å; D600-R603 PolarHBondContact O-N 2.7Å; R603-R605 VanDerWaalsContact C-N 3.3Å; R603-R605 PolarHBondContact O-N 2.88Å; R603-R605 VanDerWaalsContact O-N 3.17Å; R603-I606 PolarHBondContact O-N 3.42Å; R603-V607 PolarHBondContact O-N 2.82Å; R603-V607 VanDerWaalsContact O-N 3.14Å; R603-E827 VanDerWaalsContact NH2-CG 3.26Å; R603-E827 PolarHBondContact NH2-O 3.06Å; R603-E830 IonicContact CZ-OE2 3.49Å; R603-E830 IonicContact NE-OE2 3.53Å; R603-E830 PolarHBondContact NE-OE2 3.17Å; R603-E830 IonicContact NH2-OE2 2.85Å; R603-E830 PolarHBondContact NH2-OE2 2.8Å; R603-N831 VanDerWaalsContact CZ-OD1 3.29Å; R603-N831 PolarHBondContact NH1-OD1 3.25Å; R603-N831 PolarHBondContact NH2-OD1 3.29Å |
| 604 | L | 83.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -51.2 | -44.7 | -174.1 | -175.7 | 62.7 | 0 | 0 | 0 | 112.8 | L567 F571 I576 P577 V579 I606 F608 L823 | L567-L604 HydrophobicContact CD1-CD2 4.09Å; L567-L604 HydrophobicContact CD2-CD1 4.34Å; F571-L604 HydrophobicContact CE2-CD1 4.21Å; I576-L604 HydrophobicContact CG2-CD1 4.1Å; P577-L604 HydrophobicContact CB-CD1 4.36Å; P577-L604 HydrophobicContact CG-CD1 4.14Å; V579-L604 HydrophobicContact CG2-CB 4.42Å; V579-L604 HydrophobicContact CG2-CD2 3.72Å; L604-I606 PolarHBondContact O-N 2.85Å; L604-F608 WeakPolarHBondContact O-CB 3.37Å; L604-F608 PolarHBondContact O-N 3.1Å; L604-L823 HydrophobicContact CD2-CD2 3.53Å; L604-L823 HydrophobicContact CG-CD2 3.81Å |
| 605 | R | 83.8 | Confident | 82.1 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 179.7 | -173.4 | -168.4 | 167.7 | 178.1 | -6.4 | 112.7 | R603 S609 E827 | R603-R605 VanDerWaalsContact C-N 3.3Å; R603-R605 PolarHBondContact O-N 2.88Å; R603-R605 VanDerWaalsContact O-N 3.17Å; R605-S609 WeakPolarHBondContact O-CB 3.33Å; R605-S609 PolarHBondContact O-N 3.28Å; R605-S609 PolarHBondContact O-OG 3.22Å; R605-E827 HydrophobicContact CB-CB 4.31Å; R605-E827 WeakPolarHBondContact CD-OE1 3.38Å; R605-E827 WeakPolarHBondContact CD-OE2 3.48Å; R605-E827 IonicContact CZ-OE2 3.21Å; R605-E827 IonicContact NE-OE2 2.77Å; R605-E827 IonicContact NH1-OE2 3.68Å; R605-E827 PolarHBondContact NH1-OE2 3.12Å |
| 606 | I | 83.1 | Confident | 82.8 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -46.8 | -176.7 | -67.3 | 171.5 | 0 | 0 | 0 | 109.9 | D600 R603 L604 S609 K610 | D600-I606 WeakPolarHBondContact O-CD1 3.46Å; R603-I606 PolarHBondContact O-N 3.42Å; L604-I606 PolarHBondContact O-N 2.85Å; I606-S609 PolarHBondContact O-N 3.31Å; I606-K610 PolarHBondContact O-N 2.85Å; I606-K610 VanDerWaalsContact O-N 3.12Å |
| 607 | V | 85.6 | Confident | 83.4 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 24% | 0.242 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110.9 | F571 P577 Q601 R603 S609 K610 R611 | F571-V607 HydrophobicContact CE1-CG1 3.81Å; F571-V607 HydrophobicContact CZ-CG1 4.15Å; P577-V607 HydrophobicContact CB-CG2 4.46Å; P577-V607 HydrophobicContact CG-CB 3.67Å; P577-V607 HydrophobicContact CG-CG1 3.71Å; P577-V607 HydrophobicContact CG-CG2 3.76Å; Q601-V607 WeakPolarHBondContact O-CG2 3.09Å; R603-V607 PolarHBondContact O-N 2.82Å; R603-V607 VanDerWaalsContact O-N 3.14Å; V607-S609 PolarHBondContact O-N 3.47Å; V607-K610 PolarHBondContact O-N 3.36Å; V607-R611 PolarHBondContact O-N 3.05Å |
| 608 | F | 88.3 | Confident | 84 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.1 | -174.5 | -88 | 0 | 0 | 0 | 112.4 | L567 I570 F571 L604 K610 R611 L612 A816 V819 Q820 L823 | L567-F608 HydrophobicContact CD2-CD2 3.99Å; L567-F608 HydrophobicContact CD2-CE2 4.07Å; I570-F608 HydrophobicContact CD1-CE2 3.71Å; I570-F608 HydrophobicContact CD1-CZ 4.16Å; I570-F608 HydrophobicContact CG2-CE2 4.17Å; F571-F608 HydrophobicContact CE2-CD2 4.01Å; F571-F608 HydrophobicContact CZ-CB 4.23Å; F571-F608 HydrophobicContact CZ-CD2 4.23Å; L604-F608 WeakPolarHBondContact O-CB 3.37Å; L604-F608 PolarHBondContact O-N 3.1Å; F608-K610 VanDerWaalsContact C-N 3.32Å; F608-K610 PolarHBondContact O-N 2.91Å; F608-R611 PolarHBondContact O-N 3.36Å; F608-L612 WeakPolarHBondContact O-CB 3.34Å; F608-L612 PolarHBondContact O-N 2.96Å; F608-A816 HydrophobicContact CE1-CB 4.49Å; F608-A816 HydrophobicContact CE2-CB 4.46Å; F608-A816 HydrophobicContact CZ-CB 3.84Å; F608-A816 VanDerWaalsContact CZ-O 3.23Å; F608-A816 WeakPolarHBondContact CZ-O 3.26Å; F608-V819 HydrophobicContact CE2-CB 4.37Å; F608-V819 HydrophobicContact CE2-CG1 4.26Å; F608-V819 HydrophobicContact CZ-CB 4.01Å; F608-V819 HydrophobicContact CZ-CG1 4.26Å; F608-Q820 HydrophobicContact CE1-CB 4.3Å; F608-L823 HydrophobicContact CB-CD1 3.89Å; F608-L823 HydrophobicContact CD1-CD1 3.31Å; F608-L823 HydrophobicContact CD2-CD1 3.42Å; F608-L823 VanDerWaalsContact CD2-CD1 3.42Å; F608-L823 HydrophobicContact CE1-CD1 3.53Å; F608-L823 HydrophobicContact CE2-CD1 3.6Å; F608-L823 HydrophobicContact CG-CD1 3.24Å; F608-L823 HydrophobicContact CZ-CD1 3.65Å |
| 609 | S | 87 | Confident | 84.7 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | R605 I606 V607 N613 | R605-S609 WeakPolarHBondContact O-CB 3.33Å; R605-S609 PolarHBondContact O-N 3.28Å; R605-S609 PolarHBondContact O-OG 3.22Å; I606-S609 PolarHBondContact O-N 3.31Å; V607-S609 PolarHBondContact O-N 3.47Å; S609-N613 PolarHBondContact O-N 3.17Å; S609-N613 PolarHBondContact O-ND2 2.88Å |
| 610 | K | 87 | Confident | 85.5 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 171.8 | -70.1 | 178.5 | -177.3 | 175.1 | 0 | 111 | I606 V607 F608 L612 N613 E614 | I606-K610 PolarHBondContact O-N 2.85Å; I606-K610 VanDerWaalsContact O-N 3.12Å; V607-K610 PolarHBondContact O-N 3.36Å; F608-K610 VanDerWaalsContact C-N 3.32Å; F608-K610 PolarHBondContact O-N 2.91Å; K610-L612 PolarHBondContact O-N 3.48Å; K610-N613 PolarHBondContact O-N 3.44Å; K610-E614 WeakPolarHBondContact O-CG 3.22Å; K610-E614 PolarHBondContact O-N 3.41Å |
| 611 | R | 87.1 | Confident | 86.2 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 23% | 0.226 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 179.1 | -173.9 | 56.5 | 174.7 | 170.6 | 2.4 | 112.9 | I570 F571 V607 F608 N613 E614 L615 | I570-R611 HydrophobicContact CG2-CG 3.92Å; I570-R611 PolarHBondContact O-NE 3.45Å; I570-R611 VanDerWaalsContact O-NE 3.16Å; F571-R611 HydrophobicContact CD1-CG 4.37Å; F571-R611 HydrophobicContact CE1-CB 3.97Å; F571-R611 HydrophobicContact CE1-CG 4.11Å; F571-R611 HydrophobicContact CZ-CB 4.41Å; V607-R611 PolarHBondContact O-N 3.05Å; F608-R611 PolarHBondContact O-N 3.36Å; R611-N613 VanDerWaalsContact C-N 3.34Å; R611-N613 PolarHBondContact O-N 2.96Å; R611-E614 WeakPolarHBondContact CD-OE2 3.4Å; R611-E614 IonicContact NH1-OE2 2.91Å; R611-E614 PolarHBondContact NH1-OE2 2.88Å; R611-E614 WeakPolarHBondContact O-CB 3.49Å; R611-E614 PolarHBondContact O-N 2.94Å; R611-L615 HydrophobicContact CG-CD1 4.48Å; R611-L615 WeakPolarHBondContact O-CG 3.42Å; R611-L615 PolarHBondContact O-N 3.49Å |
| 612 | L | 88.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.6 | 179 | 61.9 | 0 | 0 | 0 | 111.1 | F608 K610 L615 E616 A816 K817 Q820 | F608-L612 WeakPolarHBondContact O-CB 3.34Å; F608-L612 PolarHBondContact O-N 2.96Å; K610-L612 PolarHBondContact O-N 3.48Å; L612-L615 PolarHBondContact O-N 3.48Å; L612-E616 HydrophobicContact CD1-CG 4.46Å; L612-E616 WeakPolarHBondContact O-CG 3.32Å; L612-E616 PolarHBondContact O-N 3.08Å; L612-A816 HydrophobicContact CD1-CB 3.73Å; L612-K817 HydrophobicContact CD1-CG 4.21Å; L612-Q820 HydrophobicContact CD2-CG 4.49Å |
| 613 | N | 88.3 | Confident | 87.5 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 175.5 | -72.4 | -28.2 | 0 | 0 | 0 | 112.6 | S609 K610 R611 E616 Q617 | S609-N613 PolarHBondContact O-N 3.17Å; S609-N613 PolarHBondContact O-ND2 2.88Å; K610-N613 PolarHBondContact O-N 3.44Å; R611-N613 VanDerWaalsContact C-N 3.34Å; R611-N613 PolarHBondContact O-N 2.96Å; N613-E616 PolarHBondContact O-N 3.48Å; N613-Q617 VanDerWaalsContact O-CB 3.32Å; N613-Q617 WeakPolarHBondContact O-CB 3.31Å; N613-Q617 PolarHBondContact O-N 2.73Å |
| 614 | E | 88.5 | Confident | 87.9 | Confident | 94 Ų | 94 | 63.7 Ų | 63.7 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.3 | -71.8 | 169.9 | -171.9 | 0 | 0 | 112 | K610 R611 Q617 S618 | K610-E614 WeakPolarHBondContact O-CG 3.22Å; K610-E614 PolarHBondContact O-N 3.41Å; R611-E614 WeakPolarHBondContact CD-OE2 3.4Å; R611-E614 IonicContact NH1-OE2 2.91Å; R611-E614 PolarHBondContact NH1-OE2 2.88Å; R611-E614 WeakPolarHBondContact O-CB 3.49Å; R611-E614 PolarHBondContact O-N 2.94Å; E614-Q617 PolarHBondContact O-N 3.07Å; E614-S618 WeakPolarHBondContact O-CB 3.41Å; E614-S618 PolarHBondContact O-N 3.32Å; E614-S618 PolarHBondContact O-OG 3.19Å |
| 615 | L | 89.2 | Confident | 88.2 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 175.3 | -74.8 | 170.5 | 0 | 0 | 0 | 111 | I570 R611 L612 Q617 S618 T619 Y809 D812 A816 | I570-L615 HydrophobicContact CG2-CD1 4.31Å; R611-L615 HydrophobicContact CG-CD1 4.48Å; R611-L615 WeakPolarHBondContact O-CG 3.42Å; R611-L615 PolarHBondContact O-N 3.49Å; L612-L615 PolarHBondContact O-N 3.48Å; L615-Q617 VanDerWaalsContact C-N 3.28Å; L615-Q617 PolarHBondContact O-N 3.32Å; L615-S618 PolarHBondContact O-N 3.29Å; L615-S618 VanDerWaalsContact O-N 3.14Å; L615-T619 PolarHBondContact O-N 2.92Å; L615-T619 PolarHBondContact O-OG1 3.04Å; L615-T619 VanDerWaalsContact O-OG1 3.1Å; L615-Y809 HydrophobicContact CD2-CD1 4.39Å; L615-D812 HydrophobicContact CD1-CB 4.2Å; L615-D812 HydrophobicContact CD2-CB 4.06Å; L615-A816 HydrophobicContact CD1-CB 4.43Å |
| 616 | E | 88.3 | Confident | 88.6 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -37 | 176.8 | -72.9 | -167.7 | 158 | 0 | 0 | 112.5 | L612 N613 R620 E813 K817 | L612-E616 HydrophobicContact CD1-CG 4.46Å; L612-E616 WeakPolarHBondContact O-CG 3.32Å; L612-E616 PolarHBondContact O-N 3.08Å; N613-E616 PolarHBondContact O-N 3.48Å; E616-R620 WeakPolarHBondContact O-CB 3.44Å; E616-R620 VanDerWaalsContact O-CG 3.24Å; E616-R620 WeakPolarHBondContact O-CG 3.47Å; E616-R620 PolarHBondContact O-N 3.4Å; E616-R620 VanDerWaalsContact O-N 3.16Å; E616-E813 HydrophobicContact CG-CG 4.13Å; E616-K817 WeakPolarHBondContact OE1-CE 3.29Å; E616-K817 IonicContact OE1-NZ 2.9Å; E616-K817 PolarHBondContact OE1-NZ 3.48Å |
| 617 | Q | 89.7 | Confident | 88.9 | Confident | 114 Ų | 114 | 65.1 Ų | 65.1 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 174.2 | -177.7 | 174.6 | -8.4 | 0 | 0 | 111.2 | N613 E614 L615 R620 E621 | N613-Q617 VanDerWaalsContact O-CB 3.32Å; N613-Q617 WeakPolarHBondContact O-CB 3.31Å; N613-Q617 PolarHBondContact O-N 2.73Å; E614-Q617 PolarHBondContact O-N 3.07Å; L615-Q617 VanDerWaalsContact C-N 3.28Å; L615-Q617 PolarHBondContact O-N 3.32Å; Q617-R620 PolarHBondContact O-N 3.05Å; Q617-E621 HydrophobicContact CG-CG 4.43Å; Q617-E621 WeakPolarHBondContact CG-OE1 3.41Å; Q617-E621 PolarHBondContact NE2-OE1 3.38Å; Q617-E621 WeakPolarHBondContact O-CG 3.44Å; Q617-E621 PolarHBondContact O-N 3.46Å |
| 618 | S | 90.2 | Very high | 89.1 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 178.5 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | E614 L615 R620 E621 T622 | E614-S618 WeakPolarHBondContact O-CB 3.41Å; E614-S618 PolarHBondContact O-N 3.32Å; E614-S618 PolarHBondContact O-OG 3.19Å; L615-S618 PolarHBondContact O-N 3.29Å; L615-S618 VanDerWaalsContact O-N 3.14Å; S618-R620 VanDerWaalsContact C-N 3.31Å; S618-R620 PolarHBondContact O-N 3.49Å; S618-E621 PolarHBondContact O-N 2.94Å; S618-T622 WeakPolarHBondContact O-CB 3.4Å; S618-T622 PolarHBondContact O-N 2.72Å; S618-T622 PolarHBondContact O-OG1 3.43Å |
| 619 | T | 89.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.4 | -45 | 173.7 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | L615 R623 L806 Q810 E813 | L615-T619 PolarHBondContact O-N 2.92Å; L615-T619 PolarHBondContact O-OG1 3.04Å; L615-T619 VanDerWaalsContact O-OG1 3.1Å; T619-R623 WeakPolarHBondContact O-CB 3.39Å; T619-R623 VanDerWaalsContact O-CG 3.29Å; T619-R623 WeakPolarHBondContact O-CG 3.24Å; T619-R623 PolarHBondContact O-N 3.45Å; T619-L806 HydrophobicContact CG2-CD1 3.82Å; T619-Q810 HydrophobicContact CG2-CG 3.83Å; T619-E813 VanDerWaalsContact CB-OE2 3.24Å; T619-E813 WeakPolarHBondContact CB-OE2 3.1Å; T619-E813 WeakPolarHBondContact CG2-OE2 3.4Å; T619-E813 PolarHBondContact OG1-OE2 3.49Å |
| 620 | R | 89 | Confident | 89.2 | Confident | 160 Ų | 160 | 73.2 Ų | 73.2 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 179.6 | -73.8 | 173 | -172.9 | -179.6 | 8 | 112.7 | E616 Q617 S618 K624 | E616-R620 WeakPolarHBondContact O-CB 3.44Å; E616-R620 VanDerWaalsContact O-CG 3.24Å; E616-R620 WeakPolarHBondContact O-CG 3.47Å; E616-R620 PolarHBondContact O-N 3.4Å; E616-R620 VanDerWaalsContact O-N 3.16Å; Q617-R620 PolarHBondContact O-N 3.05Å; S618-R620 VanDerWaalsContact C-N 3.31Å; S618-R620 PolarHBondContact O-N 3.49Å; R620-K624 WeakPolarHBondContact O-CG 3.49Å; R620-K624 PolarHBondContact O-N 3.44Å |
| 621 | E | 89.4 | Confident | 89.3 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 178.8 | -73.3 | 176.6 | -170.8 | 0 | 0 | 111.4 | Q617 S618 K624 Q625 | Q617-E621 HydrophobicContact CG-CG 4.43Å; Q617-E621 WeakPolarHBondContact CG-OE1 3.41Å; Q617-E621 PolarHBondContact NE2-OE1 3.38Å; Q617-E621 WeakPolarHBondContact O-CG 3.44Å; Q617-E621 PolarHBondContact O-N 3.46Å; S618-E621 PolarHBondContact O-N 2.94Å; E621-K624 PolarHBondContact O-N 3.08Å; E621-Q625 WeakPolarHBondContact O-CG 3.46Å; E621-Q625 PolarHBondContact O-N 3.43Å |
| 622 | T | 89.8 | Confident | 89.5 | Confident | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 176.6 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | S618 K624 Q625 L626 T802 L805 L806 | S618-T622 WeakPolarHBondContact O-CB 3.4Å; S618-T622 PolarHBondContact O-N 2.72Å; S618-T622 PolarHBondContact O-OG1 3.43Å; T622-K624 PolarHBondContact O-N 3.36Å; T622-Q625 PolarHBondContact O-N 3.33Å; T622-L626 PolarHBondContact O-N 3.2Å; T622-T802 HydrophobicContact CG2-CG2 3.69Å; T622-T802 WeakPolarHBondContact CG2-O 3.19Å; T622-L805 HydrophobicContact CG2-CB 4.42Å; T622-L805 HydrophobicContact CG2-CD2 4.27Å; T622-L805 HydrophobicContact CG2-CG 4.39Å; T622-L806 HydrophobicContact CG2-CB 3.88Å; T622-L806 HydrophobicContact CG2-CD1 4.49Å |
| 623 | R | 90.7 | Very high | 89.6 | Confident | 123 Ų | 123 | 79.4 Ų | 79.4 | 46% | 0.464 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 171.5 | -80.3 | 179.4 | -174.7 | 163.3 | 7.4 | 112.6 | T619 L626 A627 L806 | T619-R623 WeakPolarHBondContact O-CB 3.39Å; T619-R623 VanDerWaalsContact O-CG 3.29Å; T619-R623 WeakPolarHBondContact O-CG 3.24Å; T619-R623 PolarHBondContact O-N 3.45Å; R623-L626 PolarHBondContact O-N 3.47Å; R623-A627 PolarHBondContact O-N 3.35Å; R623-L806 HydrophobicContact CG-CD1 3.64Å; R623-L806 HydrophobicContact CG-CD2 3.65Å; R623-L806 HydrophobicContact CG-CG 4.31Å |
| 624 | K | 89.6 | Confident | 89.6 | Confident | 159 Ų | 159 | 77.4 Ų | 77.4 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65 | -39.3 | 177 | -74 | 176.7 | -179.7 | 179.5 | 0 | 112.3 | R620 E621 T622 K628 | R620-K624 WeakPolarHBondContact O-CG 3.49Å; R620-K624 PolarHBondContact O-N 3.44Å; E621-K624 PolarHBondContact O-N 3.08Å; T622-K624 PolarHBondContact O-N 3.36Å; K624-K628 PolarHBondContact O-N 3.32Å |
| 625 | Q | 89.7 | Confident | 89.5 | Confident | 106 Ų | 106 | 76 Ų | 76 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.2 | -70.9 | 176.4 | 0.7 | 0 | 0 | 111.3 | E621 T622 A627 K628 I629 T802 | E621-Q625 WeakPolarHBondContact O-CG 3.46Å; E621-Q625 PolarHBondContact O-N 3.43Å; T622-Q625 PolarHBondContact O-N 3.33Å; Q625-A627 PolarHBondContact O-N 3.35Å; Q625-K628 PolarHBondContact O-N 3.41Å; Q625-I629 WeakPolarHBondContact O-CG1 3.29Å; Q625-I629 PolarHBondContact O-N 3.46Å; Q625-I629 VanDerWaalsContact O-N 3.1Å; Q625-T802 HydrophobicContact CB-CG2 4.19Å |
| 626 | L | 91.7 | Very high | 89.5 | Confident | 22 Ų | 22 | 77 Ų | 77 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.4 | -172 | 65.4 | 0 | 0 | 0 | 112 | T622 R623 K628 I629 E630 R799 T802 L806 | T622-L626 PolarHBondContact O-N 3.2Å; R623-L626 PolarHBondContact O-N 3.47Å; L626-K628 VanDerWaalsContact C-N 3.3Å; L626-K628 PolarHBondContact O-N 2.7Å; L626-I629 PolarHBondContact O-N 3.08Å; L626-I629 VanDerWaalsContact O-N 3.17Å; L626-E630 WeakPolarHBondContact O-CG 3.27Å; L626-E630 PolarHBondContact O-N 3.22Å; L626-R799 HydrophobicContact CD1-CG 3.67Å; L626-T802 HydrophobicContact CB-CG2 4.08Å; L626-T802 HydrophobicContact CD1-CG2 4.35Å; L626-L806 HydrophobicContact CD2-CD2 4.01Å |
| 627 | A | 89.3 | Confident | 89.5 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R623 Q625 E630 Q631 | R623-A627 PolarHBondContact O-N 3.35Å; Q625-A627 PolarHBondContact O-N 3.35Å; A627-E630 PolarHBondContact O-N 3.09Å; A627-Q631 PolarHBondContact O-N 2.96Å |
| 628 | K | 90.2 | Very high | 89.3 | Confident | 153 Ų | 153 | 75.4 Ų | 75.4 | 67% | 0.665 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.3 | -42.6 | 175.8 | -170.8 | -177.5 | 177.7 | -172 | 0 | 111.8 | K624 Q625 L626 E630 Q631 E632 | K624-K628 PolarHBondContact O-N 3.32Å; Q625-K628 PolarHBondContact O-N 3.41Å; L626-K628 VanDerWaalsContact C-N 3.3Å; L626-K628 PolarHBondContact O-N 2.7Å; K628-E630 VanDerWaalsContact C-N 3.35Å; K628-Q631 PolarHBondContact O-N 3.48Å; K628-E632 PolarHBondContact O-N 3.34Å; K628-E632 VanDerWaalsContact O-N 3.1Å |
| 629 | I | 90.5 | Very high | 89.1 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.3 | -66.1 | 168.5 | 0 | 0 | 0 | 110.5 | Q625 L626 E632 R633 V795 Q798 R799 | Q625-I629 WeakPolarHBondContact O-CG1 3.29Å; Q625-I629 PolarHBondContact O-N 3.46Å; Q625-I629 VanDerWaalsContact O-N 3.1Å; L626-I629 PolarHBondContact O-N 3.08Å; L626-I629 VanDerWaalsContact O-N 3.17Å; I629-E632 PolarHBondContact O-N 3.31Å; I629-R633 PolarHBondContact O-N 3.07Å; I629-V795 HydrophobicContact CG2-CG1 3.79Å; I629-Q798 HydrophobicContact CD1-CB 4.16Å; I629-R799 HydrophobicContact CG2-CB 3.83Å |
| 630 | E | 87.2 | Confident | 88.9 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 40% | 0.397 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 176.5 | -74.1 | -174.6 | 153.9 | 0 | 0 | 113.5 | L626 A627 K628 R633 S634 | L626-E630 WeakPolarHBondContact O-CG 3.27Å; L626-E630 PolarHBondContact O-N 3.22Å; A627-E630 PolarHBondContact O-N 3.09Å; K628-E630 VanDerWaalsContact C-N 3.35Å; E630-R633 PolarHBondContact O-N 2.68Å; E630-S634 WeakPolarHBondContact O-CB 3.38Å; E630-S634 PolarHBondContact O-N 2.59Å; E630-S634 PolarHBondContact O-OG 3.38Å |
| 631 | Q | 88.9 | Confident | 88.9 | Confident | 146 Ų | 146 | 75.5 Ų | 75.5 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 172.8 | -173.7 | 180 | 5.3 | 0 | 0 | 111.3 | A627 K628 S634 S635 | A627-Q631 PolarHBondContact O-N 2.96Å; K628-Q631 PolarHBondContact O-N 3.48Å; Q631-S634 PolarHBondContact O-N 3.32Å; Q631-S635 PolarHBondContact O-N 2.95Å |
| 632 | E | 90.2 | Very high | 88.8 | Confident | 93 Ų | 93 | 77.6 Ų | 77.6 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.3 | -173.1 | 170.3 | -173.5 | 0 | 0 | 111.3 | K628 I629 S634 S635 L636 V795 | K628-E632 PolarHBondContact O-N 3.34Å; K628-E632 VanDerWaalsContact O-N 3.1Å; I629-E632 PolarHBondContact O-N 3.31Å; E632-S634 PolarHBondContact O-N 3.41Å; E632-S635 PolarHBondContact O-N 2.85Å; E632-S635 PolarHBondContact O-OG 3.01Å; E632-L636 HydrophobicContact CG-CD1 4.21Å; E632-L636 PolarHBondContact O-N 3.32Å; E632-V795 HydrophobicContact CG-CG2 4.16Å |
| 633 | R | 91.5 | Very high | 88.7 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56 | -48.8 | 174.9 | -165.9 | -164.8 | 84.1 | -155 | -3.3 | 111.7 | I629 E630 S635 L636 E637 V795 | I629-R633 PolarHBondContact O-N 3.07Å; E630-R633 PolarHBondContact O-N 2.68Å; R633-S635 VanDerWaalsContact C-N 3.31Å; R633-S635 PolarHBondContact O-N 3.35Å; R633-L636 PolarHBondContact O-N 3.34Å; R633-E637 HydrophobicContact CG-CG 4.45Å; R633-E637 IonicContact CZ-OE2 3.49Å; R633-E637 IonicContact NE-OE1 3.83Å; R633-E637 PolarHBondContact NE-OE1 3.21Å; R633-E637 IonicContact NE-OE2 3.17Å; R633-E637 PolarHBondContact NE-OE2 2.79Å; R633-E637 VanDerWaalsContact NE-OE2 3.13Å; R633-E637 IonicContact NH2-OE2 3.48Å; R633-E637 WeakPolarHBondContact O-CB 3.46Å; R633-E637 WeakPolarHBondContact O-CG 3.4Å; R633-E637 PolarHBondContact O-N 2.85Å; R633-V795 HydrophobicContact CB-CG1 3.78Å; R633-V795 HydrophobicContact CG-CG1 4.35Å |
| 634 | S | 87.8 | Confident | 88.5 | Confident | 60 Ų | 60 | 77.5 Ų | 77.5 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | -176.9 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | E630 Q631 E632 A638 | E630-S634 WeakPolarHBondContact O-CB 3.38Å; E630-S634 PolarHBondContact O-N 2.59Å; E630-S634 PolarHBondContact O-OG 3.38Å; Q631-S634 PolarHBondContact O-N 3.32Å; E632-S634 PolarHBondContact O-N 3.41Å; S634-A638 WeakPolarHBondContact O-CB 3.45Å; S634-A638 PolarHBondContact O-N 2.83Å; S634-A638 VanDerWaalsContact O-N 3.07Å |
| 635 | S | 87.8 | Confident | 88.4 | Confident | 64 Ų | 64 | 74 Ų | 74 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 175.4 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | Q631 E632 R633 E637 A638 T639 | Q631-S635 PolarHBondContact O-N 2.95Å; E632-S635 PolarHBondContact O-N 2.85Å; E632-S635 PolarHBondContact O-OG 3.01Å; R633-S635 VanDerWaalsContact C-N 3.31Å; R633-S635 PolarHBondContact O-N 3.35Å; S635-E637 PolarHBondContact O-N 2.98Å; S635-A638 PolarHBondContact O-N 3.14Å; S635-T639 PolarHBondContact O-N 2.89Å; S635-T639 PolarHBondContact O-OG1 2.81Å |
| 636 | L | 88.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 177 | -72.1 | 169.3 | 0 | 0 | 0 | 112 | E632 R633 T639 S640 K791 L792 V795 | E632-L636 HydrophobicContact CG-CD1 4.21Å; E632-L636 PolarHBondContact O-N 3.32Å; R633-L636 PolarHBondContact O-N 3.34Å; L636-T639 PolarHBondContact O-N 3.25Å; L636-S640 WeakPolarHBondContact O-CB 3.25Å; L636-S640 PolarHBondContact O-N 3.35Å; L636-K791 HydrophobicContact CD1-CB 4.11Å; L636-L792 HydrophobicContact CB-CD1 4.2Å; L636-V795 HydrophobicContact CD1-CG2 4.02Å |
| 637 | E | 87.4 | Confident | 88.2 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.3 | -79.8 | 174.9 | 163.5 | 0 | 0 | 111.5 | R633 S635 K641 L792 R796 | R633-E637 HydrophobicContact CG-CG 4.45Å; R633-E637 IonicContact CZ-OE2 3.49Å; R633-E637 IonicContact NE-OE1 3.83Å; R633-E637 PolarHBondContact NE-OE1 3.21Å; R633-E637 IonicContact NE-OE2 3.17Å; R633-E637 PolarHBondContact NE-OE2 2.79Å; R633-E637 VanDerWaalsContact NE-OE2 3.13Å; R633-E637 IonicContact NH2-OE2 3.48Å; R633-E637 WeakPolarHBondContact O-CB 3.46Å; R633-E637 WeakPolarHBondContact O-CG 3.4Å; R633-E637 PolarHBondContact O-N 2.85Å; S635-E637 PolarHBondContact O-N 2.98Å; E637-K641 WeakPolarHBondContact O-CB 3.39Å; E637-K641 PolarHBondContact O-N 3.05Å; E637-L792 HydrophobicContact CB-CD1 4.39Å; E637-L792 HydrophobicContact CG-CD1 3.53Å; E637-L792 HydrophobicContact CG-CG 4.31Å; E637-R796 IonicContact OE1-CZ 3.68Å; E637-R796 IonicContact OE1-NE 3.03Å; E637-R796 IonicContact OE1-NH2 2.99Å; E637-R796 PolarHBondContact OE1-NH2 3.32Å |
| 638 | A | 85.5 | Confident | 88.1 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S634 S635 K641 F642 | S634-A638 WeakPolarHBondContact O-CB 3.45Å; S634-A638 PolarHBondContact O-N 2.83Å; S634-A638 VanDerWaalsContact O-N 3.07Å; S635-A638 PolarHBondContact O-N 3.14Å; A638-K641 PolarHBondContact O-N 3.06Å; A638-F642 PolarHBondContact O-N 3.01Å |
| 639 | T | 86.6 | Confident | 88 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 178 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | S635 L636 K641 F642 N643 E788 | S635-T639 PolarHBondContact O-N 2.89Å; S635-T639 PolarHBondContact O-OG1 2.81Å; L636-T639 PolarHBondContact O-N 3.25Å; T639-K641 VanDerWaalsContact C-N 3.33Å; T639-K641 PolarHBondContact O-N 2.9Å; T639-F642 PolarHBondContact O-N 2.92Å; T639-N643 WeakPolarHBondContact O-CB 3.4Å; T639-N643 PolarHBondContact O-N 3.46Å; T639-N643 PolarHBondContact O-ND2 3.29Å; T639-E788 WeakPolarHBondContact CG2-OE1 3.27Å |
| 640 | S | 86 | Confident | 87.8 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | L636 R644 E788 | L636-S640 WeakPolarHBondContact O-CB 3.25Å; L636-S640 PolarHBondContact O-N 3.35Å; S640-R644 WeakPolarHBondContact O-CB 3.48Å; S640-R644 VanDerWaalsContact O-CG 3.28Å; S640-R644 WeakPolarHBondContact O-CG 3.44Å; S640-R644 PolarHBondContact O-N 3.29Å; S640-R644 VanDerWaalsContact OG-CZ 3.32Å; S640-R644 PolarHBondContact OG-NH1 3.41Å; S640-R644 VanDerWaalsContact OG-NH1 3.12Å; S640-R644 PolarHBondContact OG-NH2 3.08Å; S640-E788 WeakPolarHBondContact CA-OE2 3.39Å |
| 641 | K | 87.8 | Confident | 87.8 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 174 | -172.6 | -178.9 | 179.7 | -175.7 | 0 | 111.7 | E637 A638 T639 R644 N645 | E637-K641 WeakPolarHBondContact O-CB 3.39Å; E637-K641 PolarHBondContact O-N 3.05Å; A638-K641 PolarHBondContact O-N 3.06Å; T639-K641 VanDerWaalsContact C-N 3.33Å; T639-K641 PolarHBondContact O-N 2.9Å; K641-R644 PolarHBondContact O-N 2.93Å; K641-N645 PolarHBondContact O-N 3.2Å; K641-N645 PolarHBondContact O-OD1 3.02Å |
| 642 | F | 87.2 | Confident | 87.7 | Confident | 138 Ų | 138 | 65.3 Ų | 65.3 | 61% | 0.605 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.2 | -48.8 | 176.5 | 177.9 | -95.1 | 0 | 0 | 0 | 111.7 | A638 T639 R644 N645 H646 | A638-F642 PolarHBondContact O-N 3.01Å; T639-F642 PolarHBondContact O-N 2.92Å; F642-R644 PolarHBondContact O-N 3.37Å; F642-N645 PolarHBondContact O-N 2.86Å; F642-H646 WeakPolarHBondContact O-CB 3.3Å; F642-H646 PolarHBondContact O-N 3.33Å |
| 643 | N | 88 | Confident | 87.5 | Confident | 18 Ų | 18 | 64 Ų | 64 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 179.2 | -72.7 | -26 | 0 | 0 | 0 | 112.5 | T639 H646 L647 I785 E788 | T639-N643 WeakPolarHBondContact O-CB 3.4Å; T639-N643 PolarHBondContact O-N 3.46Å; T639-N643 PolarHBondContact O-ND2 3.29Å; N643-H646 PolarHBondContact O-N 3.18Å; N643-L647 WeakPolarHBondContact O-CB 3.24Å; N643-L647 PolarHBondContact O-N 2.7Å; N643-I785 HydrophobicContact CB-CD1 4.2Å; N643-I785 HydrophobicContact CB-CG1 3.65Å; N643-E788 PolarHBondContact ND2-OE1 3.45Å; N643-E788 PolarHBondContact ND2-OE2 2.64Å |
| 644 | R | 87.5 | Confident | 87.2 | Confident | 110 Ų | 110 | 62 Ų | 62 | 42% | 0.415 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 172.5 | -79.5 | -174.5 | -166.6 | 111 | -2.4 | 112.2 | S640 K641 F642 H646 L647 Q648 I785 | S640-R644 WeakPolarHBondContact O-CB 3.48Å; S640-R644 VanDerWaalsContact O-CG 3.28Å; S640-R644 WeakPolarHBondContact O-CG 3.44Å; S640-R644 PolarHBondContact O-N 3.29Å; S640-R644 VanDerWaalsContact OG-CZ 3.32Å; S640-R644 PolarHBondContact OG-NH1 3.41Å; S640-R644 VanDerWaalsContact OG-NH1 3.12Å; S640-R644 PolarHBondContact OG-NH2 3.08Å; K641-R644 PolarHBondContact O-N 2.93Å; F642-R644 PolarHBondContact O-N 3.37Å; R644-H646 VanDerWaalsContact C-N 3.34Å; R644-L647 PolarHBondContact O-N 3.36Å; R644-Q648 WeakPolarHBondContact O-CB 3.48Å; R644-Q648 PolarHBondContact O-N 3.5Å; R644-I785 HydrophobicContact CG-CD1 4.25Å; R644-I785 HydrophobicContact CG-CG2 4.33Å |
| 645 | N | 86.7 | Confident | 87 | Confident | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.5 | -72.2 | 1.9 | 0 | 0 | 0 | 110.5 | K641 F642 L647 Q648 E649 | K641-N645 PolarHBondContact O-N 3.2Å; K641-N645 PolarHBondContact O-OD1 3.02Å; F642-N645 PolarHBondContact O-N 2.86Å; N645-L647 PolarHBondContact O-N 2.84Å; N645-Q648 WeakPolarHBondContact O-CB 3.48Å; N645-Q648 PolarHBondContact O-N 3.32Å; N645-E649 WeakPolarHBondContact O-CG 3.28Å; N645-E649 PolarHBondContact O-N 3.48Å |
| 646 | H | 88.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.6 | -171.6 | -110 | 0 | 0 | 0 | 112.4 | F642 N643 R644 Q648 E649 K650 L781 | F642-H646 WeakPolarHBondContact O-CB 3.3Å; F642-H646 PolarHBondContact O-N 3.33Å; N643-H646 PolarHBondContact O-N 3.18Å; R644-H646 VanDerWaalsContact C-N 3.34Å; H646-Q648 VanDerWaalsContact C-N 3.33Å; H646-Q648 PolarHBondContact O-N 3.1Å; H646-E649 IonicContact CD2-OE2 3.96Å; H646-E649 PolarHBondContact O-N 3.19Å; H646-K650 WeakPolarHBondContact NE2-CE 3.34Å; H646-K650 WeakPolarHBondContact O-CB 3.37Å; H646-K650 VanDerWaalsContact O-CG 3.27Å; H646-K650 WeakPolarHBondContact O-CG 3.41Å; H646-K650 PolarHBondContact O-N 3.04Å; H646-L781 WeakPolarHBondContact ND1-CD1 3.39Å; H646-L781 WeakPolarHBondContact ND1-CD2 3.47Å |
| 647 | L | 89.2 | Confident | 86.6 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 172.3 | 176.9 | 66.3 | 0 | 0 | 0 | 111.3 | N643 R644 N645 K650 R651 I778 L781 E782 I785 | N643-L647 WeakPolarHBondContact O-CB 3.24Å; N643-L647 PolarHBondContact O-N 2.7Å; R644-L647 PolarHBondContact O-N 3.36Å; N645-L647 PolarHBondContact O-N 2.84Å; L647-K650 PolarHBondContact O-N 3.46Å; L647-R651 HydrophobicContact CD1-CG 4.34Å; L647-R651 WeakPolarHBondContact O-CB 3.45Å; L647-R651 VanDerWaalsContact O-CG 3.31Å; L647-R651 WeakPolarHBondContact O-CG 3.46Å; L647-R651 PolarHBondContact O-N 2.99Å; L647-I778 HydrophobicContact CD1-CB 4.49Å; L647-I778 HydrophobicContact CD1-CG1 4.48Å; L647-I778 HydrophobicContact CD1-CG2 3.98Å; L647-L781 HydrophobicContact CB-CB 4.43Å; L647-L781 HydrophobicContact CD1-CB 4.02Å; L647-E782 HydrophobicContact CD1-CG 3.95Å; L647-E782 HydrophobicContact CD2-CG 3.96Å; L647-I785 HydrophobicContact CB-CD1 3.85Å; L647-I785 HydrophobicContact CD2-CD1 3.61Å; L647-I785 HydrophobicContact CG-CD1 4.33Å |
| 648 | Q | 88.1 | Confident | 86.2 | Confident | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.5 | -175.9 | 60 | 30.2 | 0 | 0 | 110.9 | R644 N645 H646 K650 R651 D652 | R644-Q648 WeakPolarHBondContact O-CB 3.48Å; R644-Q648 PolarHBondContact O-N 3.5Å; N645-Q648 WeakPolarHBondContact O-CB 3.48Å; N645-Q648 PolarHBondContact O-N 3.32Å; H646-Q648 VanDerWaalsContact C-N 3.33Å; H646-Q648 PolarHBondContact O-N 3.1Å; Q648-K650 VanDerWaalsContact C-N 3.33Å; Q648-K650 PolarHBondContact O-N 3.23Å; Q648-R651 PolarHBondContact O-N 3.43Å; Q648-D652 VanDerWaalsContact NE2-CG 3.34Å; Q648-D652 PolarHBondContact NE2-OD1 3.18Å; Q648-D652 PolarHBondContact NE2-OD2 3.37Å; Q648-D652 WeakPolarHBondContact O-CB 3.33Å; Q648-D652 PolarHBondContact O-N 2.77Å |
| 649 | E | 86.9 | Confident | 85.9 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.4 | -44 | 173.5 | -73.5 | 166.4 | -167.7 | 0 | 0 | 111.9 | N645 H646 D652 Q653 | N645-E649 WeakPolarHBondContact O-CG 3.28Å; N645-E649 PolarHBondContact O-N 3.48Å; H646-E649 IonicContact CD2-OE2 3.96Å; H646-E649 PolarHBondContact O-N 3.19Å; E649-D652 PolarHBondContact O-N 3.07Å; E649-Q653 WeakPolarHBondContact O-CB 3.48Å; E649-Q653 VanDerWaalsContact O-CG 3.28Å; E649-Q653 WeakPolarHBondContact O-CG 3.43Å; E649-Q653 PolarHBondContact O-N 3.27Å |
| 650 | K | 86.8 | Confident | 85.4 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.6 | -34.9 | 178.1 | -67.3 | -55 | 179.5 | -177.5 | 0 | 113.4 | H646 L647 Q648 Q653 L654 L773 I777 I778 L781 | H646-K650 WeakPolarHBondContact NE2-CE 3.34Å; H646-K650 WeakPolarHBondContact O-CB 3.37Å; H646-K650 VanDerWaalsContact O-CG 3.27Å; H646-K650 WeakPolarHBondContact O-CG 3.41Å; H646-K650 PolarHBondContact O-N 3.04Å; L647-K650 PolarHBondContact O-N 3.46Å; Q648-K650 VanDerWaalsContact C-N 3.33Å; Q648-K650 PolarHBondContact O-N 3.23Å; K650-Q653 PolarHBondContact O-N 3.35Å; K650-L654 WeakPolarHBondContact O-CB 3.41Å; K650-L654 PolarHBondContact O-N 3.47Å; K650-L773 HydrophobicContact CB-CD2 4.35Å; K650-L773 HydrophobicContact CD-CD2 3.8Å; K650-I777 HydrophobicContact CD-CG2 4.15Å; K650-I777 HydrophobicContact CG-CG2 3.92Å; K650-I778 HydrophobicContact CB-CG1 4.24Å; K650-L781 HydrophobicContact CB-CD1 4.34Å; K650-L781 HydrophobicContact CG-CD1 3.9Å |
| 651 | R | 87.7 | Confident | 84.8 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 172.6 | -77.4 | 175.8 | 173.8 | 174 | -3.8 | 111.9 | L647 Q648 L654 K655 I778 E782 | L647-R651 HydrophobicContact CD1-CG 4.34Å; L647-R651 WeakPolarHBondContact O-CB 3.45Å; L647-R651 VanDerWaalsContact O-CG 3.31Å; L647-R651 WeakPolarHBondContact O-CG 3.46Å; L647-R651 PolarHBondContact O-N 2.99Å; Q648-R651 PolarHBondContact O-N 3.43Å; R651-L654 PolarHBondContact O-N 3.47Å; R651-K655 WeakPolarHBondContact O-CG 3.22Å; R651-K655 PolarHBondContact O-N 2.86Å; R651-I778 HydrophobicContact CG-CD1 4.13Å; R651-E782 IonicContact CZ-OE1 2.98Å; R651-E782 IonicContact NE-OE1 3.05Å; R651-E782 IonicContact NH2-OE1 3.53Å; R651-E782 PolarHBondContact NH2-OE1 2.9Å |
| 652 | D | 85.1 | Confident | 84.1 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | 174.8 | -66.2 | -25.8 | 0 | 0 | 0 | 109.6 | Q648 E649 L654 K655 I656 F997 | Q648-D652 VanDerWaalsContact NE2-CG 3.34Å; Q648-D652 PolarHBondContact NE2-OD1 3.18Å; Q648-D652 PolarHBondContact NE2-OD2 3.37Å; Q648-D652 WeakPolarHBondContact O-CB 3.33Å; Q648-D652 PolarHBondContact O-N 2.77Å; E649-D652 PolarHBondContact O-N 3.07Å; D652-L654 PolarHBondContact O-N 3.43Å; D652-K655 PolarHBondContact O-N 3.05Å; D652-I656 WeakPolarHBondContact O-CD1 3.29Å; D652-I656 WeakPolarHBondContact O-CG1 3.45Å; D652-I656 PolarHBondContact O-N 3.47Å; D652-I656 VanDerWaalsContact O-N 3.08Å; D652-F997 VanDerWaalsContact OD2-CE2 3.32Å; D652-F997 WeakPolarHBondContact OD2-CE2 3.31Å |
| 653 | Q | 86.1 | Confident | 83.3 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.5 | -48 | 169.9 | -77.5 | 175.4 | 5.1 | 0 | 0 | 112.8 | E649 K650 K655 I656 L657 L773 | E649-Q653 WeakPolarHBondContact O-CB 3.48Å; E649-Q653 VanDerWaalsContact O-CG 3.28Å; E649-Q653 WeakPolarHBondContact O-CG 3.43Å; E649-Q653 PolarHBondContact O-N 3.27Å; K650-Q653 PolarHBondContact O-N 3.35Å; Q653-K655 VanDerWaalsContact C-N 3.34Å; Q653-K655 PolarHBondContact O-N 3.42Å; Q653-I656 PolarHBondContact O-N 3.04Å; Q653-L657 WeakPolarHBondContact O-CG 3.47Å; Q653-L657 PolarHBondContact O-N 3.39Å; Q653-L657 VanDerWaalsContact O-N 3.09Å; Q653-L773 HydrophobicContact CB-CD1 4.23Å |
| 654 | L | 86.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 176.6 | -179 | 69.3 | 0 | 0 | 0 | 111.1 | K650 R651 D652 I656 L657 E658 I770 L773 H774 I778 | K650-L654 WeakPolarHBondContact O-CB 3.41Å; K650-L654 PolarHBondContact O-N 3.47Å; R651-L654 PolarHBondContact O-N 3.47Å; D652-L654 PolarHBondContact O-N 3.43Å; L654-I656 VanDerWaalsContact C-N 3.34Å; L654-I656 PolarHBondContact O-N 3.5Å; L654-L657 PolarHBondContact O-N 3.23Å; L654-E658 HydrophobicContact CD1-CG 4.21Å; L654-E658 HydrophobicContact CG-CG 4.26Å; L654-E658 WeakPolarHBondContact O-CB 3.44Å; L654-E658 VanDerWaalsContact O-CG 3.31Å; L654-E658 WeakPolarHBondContact O-CG 3.39Å; L654-E658 PolarHBondContact O-N 3.49Å; L654-I770 HydrophobicContact CD1-CB 4.44Å; L654-I770 HydrophobicContact CD1-CG2 3.9Å; L654-L773 HydrophobicContact CB-CD1 4.41Å; L654-L773 HydrophobicContact CD1-CB 4.01Å; L654-H774 HydrophobicContact CD1-CB 4.43Å; L654-I778 HydrophobicContact CB-CD1 4.13Å; L654-I778 HydrophobicContact CD2-CD1 3.7Å; L654-I778 HydrophobicContact CG-CD1 4.47Å |
| 655 | K | 83.6 | Confident | 81.2 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 178.5 | -76.2 | 177.1 | -179.1 | 174.6 | 0 | 113.3 | R651 D652 Q653 G659 | R651-K655 WeakPolarHBondContact O-CG 3.22Å; R651-K655 PolarHBondContact O-N 2.86Å; D652-K655 PolarHBondContact O-N 3.05Å; Q653-K655 VanDerWaalsContact C-N 3.34Å; Q653-K655 PolarHBondContact O-N 3.42Å; K655-G659 PolarHBondContact O-N 3.43Å |
| 656 | I | 84.3 | Confident | 80 | Confident | 39 Ų | 39 | 62 Ų | 62 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 176.7 | -55.3 | 150.6 | 0 | 0 | 0 | 110.6 | D652 Q653 L654 G659 K660 N1000 | D652-I656 WeakPolarHBondContact O-CD1 3.29Å; D652-I656 WeakPolarHBondContact O-CG1 3.45Å; D652-I656 PolarHBondContact O-N 3.47Å; D652-I656 VanDerWaalsContact O-N 3.08Å; Q653-I656 PolarHBondContact O-N 3.04Å; L654-I656 VanDerWaalsContact C-N 3.34Å; L654-I656 PolarHBondContact O-N 3.5Å; I656-G659 CarbonylContact O-C 3.26Å; I656-G659 WeakPolarHBondContact O-CA 3.4Å; I656-G659 PolarHBondContact O-N 3.14Å; I656-K660 WeakPolarHBondContact O-CG 3.21Å; I656-K660 PolarHBondContact O-N 3.11Å; I656-N1000 HydrophobicContact CD1-CB 3.67Å; I656-N1000 WeakPolarHBondContact CD1-ND2 3.32Å; I656-N1000 WeakPolarHBondContact CD1-OD1 3.47Å; I656-N1000 HydrophobicContact CG1-CB 3.46Å; I656-N1000 VanDerWaalsContact CG1-CB 3.46Å; I656-N1000 WeakPolarHBondContact CG1-OD1 3.43Å |
| 657 | L | 82.5 | Confident | 78.6 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.9 | -41.3 | -175.2 | -66.7 | 169 | 0 | 0 | 0 | 110.3 | Q653 L654 G659 K660 L661 I766 E769 I770 L773 | Q653-L657 WeakPolarHBondContact O-CG 3.47Å; Q653-L657 PolarHBondContact O-N 3.39Å; Q653-L657 VanDerWaalsContact O-N 3.09Å; L654-L657 PolarHBondContact O-N 3.23Å; L657-G659 VanDerWaalsContact C-N 3.3Å; L657-G659 PolarHBondContact O-N 3.43Å; L657-K660 WeakPolarHBondContact O-CB 3.27Å; L657-K660 PolarHBondContact O-N 3.36Å; L657-K660 VanDerWaalsContact O-N 3.14Å; L657-L661 PolarHBondContact O-N 2.94Å; L657-I766 HydrophobicContact CB-CG2 4.16Å; L657-I766 HydrophobicContact CD2-CG2 3.99Å; L657-E769 HydrophobicContact CD1-CB 4.12Å; L657-E769 HydrophobicContact CD1-CG 3.68Å; L657-I770 HydrophobicContact CB-CD1 4Å; L657-I770 HydrophobicContact CB-CG1 3.54Å; L657-L773 HydrophobicContact CD1-CD1 3.49Å; L657-L773 VanDerWaalsContact CD1-CD1 3.49Å |
| 658 | E | 79.7 | Confident | 77.3 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 33% | 0.327 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 169.8 | -73.9 | 176.1 | 167.8 | 0 | 0 | 111 | L654 K660 L661 L662 I770 | L654-E658 HydrophobicContact CD1-CG 4.21Å; L654-E658 HydrophobicContact CG-CG 4.26Å; L654-E658 WeakPolarHBondContact O-CB 3.44Å; L654-E658 VanDerWaalsContact O-CG 3.31Å; L654-E658 WeakPolarHBondContact O-CG 3.39Å; L654-E658 PolarHBondContact O-N 3.49Å; E658-K660 PolarHBondContact O-N 3.36Å; E658-L661 PolarHBondContact O-N 2.97Å; E658-L662 VanDerWaalsContact O-CD1 3.26Å; E658-L662 WeakPolarHBondContact O-CD1 3.47Å; E658-L662 PolarHBondContact O-N 2.89Å; E658-I770 HydrophobicContact CG-CD1 4.41Å; E658-I770 HydrophobicContact CG-CG2 4.36Å |
| 659 | G | 80.2 | Confident | 76.3 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K655 I656 L657 S663 | K655-G659 PolarHBondContact O-N 3.43Å; I656-G659 CarbonylContact O-C 3.26Å; I656-G659 WeakPolarHBondContact O-CA 3.4Å; I656-G659 PolarHBondContact O-N 3.14Å; L657-G659 VanDerWaalsContact C-N 3.3Å; L657-G659 PolarHBondContact O-N 3.43Å; G659-S663 PolarHBondContact O-N 2.92Å |
| 660 | K | 76.2 | Confident | 75.6 | Confident | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 174.5 | -72.4 | 179.9 | -178.3 | 179 | 0 | 111.7 | I656 L657 E658 S663 I766 | I656-K660 WeakPolarHBondContact O-CG 3.21Å; I656-K660 PolarHBondContact O-N 3.11Å; L657-K660 WeakPolarHBondContact O-CB 3.27Å; L657-K660 PolarHBondContact O-N 3.36Å; L657-K660 VanDerWaalsContact O-N 3.14Å; E658-K660 PolarHBondContact O-N 3.36Å; K660-S663 PolarHBondContact O-N 2.67Å; K660-S663 PolarHBondContact O-OG 3.22Å; K660-I766 HydrophobicContact CB-CD1 4.18Å; K660-I766 HydrophobicContact CB-CG2 4.35Å; K660-I766 HydrophobicContact CD-CD1 4.11Å |
| 661 | L | 72.8 | Confident | 75 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.6 | -40 | 178.4 | -163.9 | 74.3 | 0 | 0 | 0 | 111.8 | L657 E658 S663 A667 I770 | L657-L661 PolarHBondContact O-N 2.94Å; E658-L661 PolarHBondContact O-N 2.97Å; L661-S663 PolarHBondContact O-N 2.81Å; L661-A667 HydrophobicContact CD1-CB 4.16Å; L661-A667 HydrophobicContact CG-CB 4.02Å; L661-A667 WeakPolarHBondContact O-CB 3.49Å; L661-I770 HydrophobicContact CB-CD1 4.05Å; L661-I770 HydrophobicContact CD2-CD1 4.03Å |
| 662 | L | 72.4 | Confident | 74.5 | Confident | 150 Ų | 150 | 66.1 Ų | 66.1 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.3 | -18.6 | 177.3 | -96 | 100.6 | 0 | 0 | 0 | 114.2 | E658 V664 | E658-L662 VanDerWaalsContact O-CD1 3.26Å; E658-L662 WeakPolarHBondContact O-CD1 3.47Å; E658-L662 PolarHBondContact O-N 2.89Å; L662-V664 VanDerWaalsContact C-N 3.29Å; L662-V664 PolarHBondContact O-N 3.39Å |
| 663 | S | 71.9 | Confident | 74.1 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -14.2 | -175.5 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | G659 K660 L661 | G659-S663 PolarHBondContact O-N 2.92Å; K660-S663 PolarHBondContact O-N 2.67Å; K660-S663 PolarHBondContact O-OG 3.22Å; L661-S663 PolarHBondContact O-N 2.81Å |
| 664 | V | 65.8 | Low | 73.9 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 21% | 0.212 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -113.5 | 116.4 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | L662 G666 A667 L760 L763 | L662-V664 VanDerWaalsContact C-N 3.29Å; L662-V664 PolarHBondContact O-N 3.39Å; V664-G666 PolarHBondContact O-N 2.87Å; V664-A667 WeakPolarHBondContact O-CB 3.4Å; V664-A667 PolarHBondContact O-N 2.85Å; V664-L760 HydrophobicContact CG1-CD2 3.73Å; V664-L763 HydrophobicContact CB-CD1 3.57Å; V664-L763 HydrophobicContact CG1-CD1 3.83Å; V664-L763 HydrophobicContact CG2-CD1 3.73Å; V664-L763 HydrophobicContact CG2-CD2 4.1Å; V664-L763 HydrophobicContact CG2-CG 4.41Å |
| 665 | P | 65.2 | Low | 73.8 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 66% | 0.662 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 114.8 | 178.9 | -21.1 | 31.8 | 0 | 0 | 0 | 113.1 | R756 | P665-R756 PolarHBondContact O-NH2 3.05Š|
| 666 | G | 61.8 | Low | 73.8 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.9 | 10 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | V664 T673 | V664-G666 PolarHBondContact O-N 2.87Å; G666-T673 PolarHBondContact O-OG1 2.9Å |
| 667 | A | 58 | Low | 73.7 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -78.4 | -13 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L661 V664 D669 L670 | L661-A667 HydrophobicContact CD1-CB 4.16Å; L661-A667 HydrophobicContact CG-CB 4.02Å; L661-A667 WeakPolarHBondContact O-CB 3.49Å; V664-A667 WeakPolarHBondContact O-CB 3.4Å; V664-A667 PolarHBondContact O-N 2.85Å; A667-D669 PolarHBondContact O-N 3.49Å; A667-L670 PolarHBondContact O-N 2.97Å |
| 668 | D | 61.1 | Low | 73.8 | Confident | 175 Ų | 175 | 68.7 Ų | 68.7 | 94% | 0.936 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -60 | -32.9 | -177.7 | -65.8 | -25.6 | 0 | 0 | 0 | 113 | ||
| 669 | D | 69 | Low | 74.2 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -136.4 | 71.1 | 171.2 | -162.3 | -14.9 | 0 | 0 | 0 | 109.3 | A667 E671 Q672 T673 | A667-D669 PolarHBondContact O-N 3.49Å; D669-E671 PolarHBondContact O-N 3.34Å; D669-Q672 HydrophobicContact CB-CB 4.15Å; D669-Q672 VanDerWaalsContact CG-CB 3.46Å; D669-Q672 VanDerWaalsContact CG-CG 3.45Å; D669-Q672 PolarHBondContact O-N 2.87Å; D669-Q672 PolarHBondContact OD1-N 3.24Å; D669-Q672 WeakPolarHBondContact OD2-CB 3.13Å; D669-Q672 WeakPolarHBondContact OD2-CG 3Å; D669-T673 WeakPolarHBondContact O-CB 3.36Å; D669-T673 PolarHBondContact O-N 2.94Å; D669-T673 PolarHBondContact O-OG1 3.49Å |
| 670 | L | 71.1 | Confident | 74.5 | Confident | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -50.6 | -42.7 | -175.6 | -175.2 | 70.6 | 0 | 0 | 0 | 112.2 | A667 T673 L674 L760 L763 R764 | A667-L670 PolarHBondContact O-N 2.97Å; L670-T673 PolarHBondContact O-N 3.27Å; L670-L674 HydrophobicContact CG-CD1 4.21Å; L670-L674 WeakPolarHBondContact O-CB 3.42Å; L670-L674 VanDerWaalsContact O-CG 3.27Å; L670-L674 WeakPolarHBondContact O-CG 3.23Å; L670-L674 PolarHBondContact O-N 3.37Å; L670-L760 HydrophobicContact CD1-CB 4.28Å; L670-L760 HydrophobicContact CD1-CD2 4.02Å; L670-L763 HydrophobicContact CD1-CB 4Å; L670-L763 HydrophobicContact CD1-CD1 4.2Å; L670-L763 HydrophobicContact CD2-CB 4.18Å; L670-R764 HydrophobicContact CD2-CB 4.22Å; L670-R764 HydrophobicContact CD2-CG 4.49Å |
| 671 | E | 74.1 | Confident | 75 | Confident | 88 Ų | 88 | 74.3 Ų | 74.3 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.1 | -43.6 | -174.7 | -153.1 | 76.5 | -173.7 | 0 | 0 | 111.5 | D669 T673 L674 I675 R764 | D669-E671 PolarHBondContact O-N 3.34Å; E671-T673 VanDerWaalsContact C-N 3.32Å; E671-T673 PolarHBondContact O-N 2.94Å; E671-L674 PolarHBondContact O-N 3.45Å; E671-I675 WeakPolarHBondContact O-CD1 3.48Å; E671-I675 VanDerWaalsContact O-CG1 3.29Å; E671-I675 WeakPolarHBondContact O-CG1 3.39Å; E671-I675 PolarHBondContact O-N 3.13Å; E671-R764 IonicContact OE1-CZ 2.99Å; E671-R764 IonicContact OE1-NE 2.66Å; E671-R764 IonicContact OE1-NH2 2.74Å; E671-R764 PolarHBondContact OE1-NH2 2.77Å; E671-R764 IonicContact OE2-CZ 2.82Å; E671-R764 IonicContact OE2-NE 3.78Å; E671-R764 PolarHBondContact OE2-NE 2.98Å; E671-R764 IonicContact OE2-NH2 3.9Å |
| 672 | Q | 78.4 | Confident | 75.4 | Confident | 97 Ų | 97 | 74 Ų | 74 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 173 | -76.7 | -65.8 | -24.8 | 0 | 0 | 112.3 | D669 I675 N676 | D669-Q672 HydrophobicContact CB-CB 4.15Å; D669-Q672 VanDerWaalsContact CG-CB 3.46Å; D669-Q672 VanDerWaalsContact CG-CG 3.45Å; D669-Q672 PolarHBondContact O-N 2.87Å; D669-Q672 PolarHBondContact OD1-N 3.24Å; D669-Q672 WeakPolarHBondContact OD2-CB 3.13Å; D669-Q672 WeakPolarHBondContact OD2-CG 3Å; Q672-I675 PolarHBondContact O-N 3.34Å; Q672-N676 VanDerWaalsContact O-CG 3.24Å; Q672-N676 PolarHBondContact O-N 2.9Å; Q672-N676 PolarHBondContact O-ND2 3.19Å |
| 673 | T | 76.7 | Confident | 76.2 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | -178.9 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | G666 D669 L670 E671 L677 L760 | G666-T673 PolarHBondContact O-OG1 2.9Å; D669-T673 WeakPolarHBondContact O-CB 3.36Å; D669-T673 PolarHBondContact O-N 2.94Å; D669-T673 PolarHBondContact O-OG1 3.49Å; L670-T673 PolarHBondContact O-N 3.27Å; E671-T673 VanDerWaalsContact C-N 3.32Å; E671-T673 PolarHBondContact O-N 2.94Å; T673-L677 HydrophobicContact CG2-CD1 4.25Å; T673-L677 WeakPolarHBondContact O-CG 3.17Å; T673-L677 PolarHBondContact O-N 2.91Å; T673-L677 VanDerWaalsContact O-N 3.14Å; T673-L760 HydrophobicContact CG2-CD1 3.8Å |
| 674 | L | 81.4 | Confident | 76.8 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.1 | -77.5 | 170.9 | 0 | 0 | 0 | 112.3 | L670 E671 L677 Q678 L757 L760 V761 | L670-L674 HydrophobicContact CG-CD1 4.21Å; L670-L674 WeakPolarHBondContact O-CB 3.42Å; L670-L674 VanDerWaalsContact O-CG 3.27Å; L670-L674 WeakPolarHBondContact O-CG 3.23Å; L670-L674 PolarHBondContact O-N 3.37Å; E671-L674 PolarHBondContact O-N 3.45Å; L674-L677 PolarHBondContact O-N 2.86Å; L674-Q678 PolarHBondContact O-N 3.4Å; L674-Q678 VanDerWaalsContact O-N 3.07Å; L674-L757 HydrophobicContact CD2-CD2 4.21Å; L674-L760 HydrophobicContact CD2-CB 3.7Å; L674-L760 HydrophobicContact CG-CB 4.37Å; L674-V761 HydrophobicContact CD2-CG2 3.69Å |
| 675 | I | 82.9 | Confident | 77.7 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 36% | 0.359 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 177.4 | -68.6 | 165.1 | 0 | 0 | 0 | 110.4 | E671 Q672 L677 Q678 E679 | E671-I675 WeakPolarHBondContact O-CD1 3.48Å; E671-I675 VanDerWaalsContact O-CG1 3.29Å; E671-I675 WeakPolarHBondContact O-CG1 3.39Å; E671-I675 PolarHBondContact O-N 3.13Å; Q672-I675 PolarHBondContact O-N 3.34Å; I675-L677 VanDerWaalsContact C-N 3.3Å; I675-L677 PolarHBondContact O-N 2.97Å; I675-Q678 PolarHBondContact O-N 2.93Å; I675-E679 PolarHBondContact O-N 3.25Å; I675-E679 VanDerWaalsContact O-N 3.08Å |
| 676 | N | 84.2 | Confident | 78.6 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | -178.8 | -70.2 | -26.4 | 0 | 0 | 0 | 112.7 | Q672 R680 | Q672-N676 VanDerWaalsContact O-CG 3.24Å; Q672-N676 PolarHBondContact O-N 2.9Å; Q672-N676 PolarHBondContact O-ND2 3.19Å; N676-R680 PolarHBondContact O-N 2.84Å; N676-R680 VanDerWaalsContact O-N 3.15Å |
| 677 | L | 83.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.1 | -35.5 | 179.1 | -73.5 | 171.2 | 0 | 0 | 0 | 112.9 | T673 L674 I675 R680 R681 R756 L757 L760 | T673-L677 HydrophobicContact CG2-CD1 4.25Å; T673-L677 WeakPolarHBondContact O-CG 3.17Å; T673-L677 PolarHBondContact O-N 2.91Å; T673-L677 VanDerWaalsContact O-N 3.14Å; L674-L677 PolarHBondContact O-N 2.86Å; I675-L677 VanDerWaalsContact C-N 3.3Å; I675-L677 PolarHBondContact O-N 2.97Å; L677-R680 PolarHBondContact O-N 3.01Å; L677-R681 PolarHBondContact O-N 2.96Å; L677-R756 HydrophobicContact CD1-CG 4.01Å; L677-L757 HydrophobicContact CB-CD1 4.41Å; L677-L757 HydrophobicContact CB-CD2 3.52Å; L677-L757 HydrophobicContact CB-CG 3.81Å; L677-L757 HydrophobicContact CD1-CD2 4.41Å; L677-L760 HydrophobicContact CD1-CD1 3.36Å |
| 678 | Q | 84.5 | Confident | 80.8 | Confident | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 174.8 | -85.3 | 175.5 | -33.4 | 0 | 0 | 112.1 | L674 I675 R681 G682 L757 | L674-Q678 PolarHBondContact O-N 3.4Å; L674-Q678 VanDerWaalsContact O-N 3.07Å; I675-Q678 PolarHBondContact O-N 2.93Å; Q678-R681 PolarHBondContact O-N 2.96Å; Q678-G682 PolarHBondContact O-N 3.25Å; Q678-L757 HydrophobicContact CG-CD1 4.31Å; Q678-L757 HydrophobicContact CG-CD2 3.88Å |
| 679 | E | 86.5 | Confident | 81.7 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 174.9 | -70.9 | -175.5 | 167.5 | 0 | 0 | 111.4 | I675 R681 G682 S683 | I675-E679 PolarHBondContact O-N 3.25Å; I675-E679 VanDerWaalsContact O-N 3.08Å; E679-R681 PolarHBondContact O-N 3.37Å; E679-G682 PolarHBondContact O-N 2.88Å; E679-S683 PolarHBondContact O-N 3.24Å |
| 680 | R | 87.1 | Confident | 82.4 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.7 | -174.9 | 63.7 | -177.1 | 150.3 | -1.4 | 112.2 | N676 L677 G682 S683 L684 E687 E749 I753 | N676-R680 PolarHBondContact O-N 2.84Å; N676-R680 VanDerWaalsContact O-N 3.15Å; L677-R680 PolarHBondContact O-N 3.01Å; R680-G682 VanDerWaalsContact C-N 3.35Å; R680-G682 PolarHBondContact O-N 3.11Å; R680-S683 PolarHBondContact NH1-OG 3.48Å; R680-S683 PolarHBondContact O-N 3.49Å; R680-S683 PolarHBondContact O-OG 3.16Å; R680-L684 HydrophobicContact CG-CD1 4.03Å; R680-L684 PolarHBondContact O-N 3.42Å; R680-L684 VanDerWaalsContact O-N 3.1Å; R680-E687 IonicContact NH1-OE1 2.96Å; R680-E749 IonicContact CZ-OE1 2.9Å; R680-E749 IonicContact NE-OE1 2.7Å; R680-E749 IonicContact NH2-OE1 2.98Å; R680-E749 PolarHBondContact NH2-OE1 3.39Å; R680-E749 IonicContact NH2-OE2 3.75Å; R680-I753 HydrophobicContact CB-CD1 4.19Å; R680-I753 HydrophobicContact CG-CD1 3.38Å |
| 681 | R | 86 | Confident | 82.8 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 35% | 0.347 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.5 | -49.3 | 174.7 | -174.8 | -169.9 | 69.8 | -170.2 | -0.5 | 111.2 | L677 Q678 E679 S683 L684 E685 L750 I753 L757 | L677-R681 PolarHBondContact O-N 2.96Å; Q678-R681 PolarHBondContact O-N 2.96Å; E679-R681 PolarHBondContact O-N 3.37Å; R681-S683 VanDerWaalsContact C-N 3.34Å; R681-S683 PolarHBondContact O-N 3.13Å; R681-L684 PolarHBondContact O-N 3.11Å; R681-E685 IonicContact NE-OE1 2.77Å; R681-E685 WeakPolarHBondContact O-CG 3.47Å; R681-E685 PolarHBondContact O-N 3.01Å; R681-L750 HydrophobicContact CG-CD1 3.96Å; R681-I753 HydrophobicContact CB-CG2 4.01Å; R681-L757 HydrophobicContact CB-CD1 4.22Å |
| 682 | G | 82.9 | Confident | 82.9 | Confident | 29 Ų | 29 | 70.1 Ų | 70.1 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q678 E679 R680 L684 E685 E686 | Q678-G682 PolarHBondContact O-N 3.25Å; E679-G682 PolarHBondContact O-N 2.88Å; R680-G682 VanDerWaalsContact C-N 3.35Å; R680-G682 PolarHBondContact O-N 3.11Å; G682-L684 PolarHBondContact O-N 3.44Å; G682-E685 PolarHBondContact O-N 3.37Å; G682-E686 PolarHBondContact O-N 2.99Å |
| 683 | S | 87.3 | Confident | 82.9 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | E679 R680 R681 E687 | E679-S683 PolarHBondContact O-N 3.24Å; R680-S683 PolarHBondContact NH1-OG 3.48Å; R680-S683 PolarHBondContact O-N 3.49Å; R680-S683 PolarHBondContact O-OG 3.16Å; R681-S683 VanDerWaalsContact C-N 3.34Å; R681-S683 PolarHBondContact O-N 3.13Å; S683-E687 WeakPolarHBondContact O-CG 3.44Å; S683-E687 PolarHBondContact O-N 3.38Å; S683-E687 VanDerWaalsContact O-N 3.12Å |
| 684 | L | 84.7 | Confident | 83 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.4 | -34 | -179 | -92.7 | 153.9 | 0 | 0 | 0 | 113.4 | R680 R681 G682 E687 Y688 E749 L750 I753 | R680-L684 HydrophobicContact CG-CD1 4.03Å; R680-L684 PolarHBondContact O-N 3.42Å; R680-L684 VanDerWaalsContact O-N 3.1Å; R681-L684 PolarHBondContact O-N 3.11Å; G682-L684 PolarHBondContact O-N 3.44Å; L684-E687 PolarHBondContact O-N 3.39Å; L684-Y688 VanDerWaalsContact O-CB 3.25Å; L684-Y688 WeakPolarHBondContact O-CB 3.34Å; L684-Y688 PolarHBondContact O-N 2.91Å; L684-E749 HydrophobicContact CD1-CB 4.45Å; L684-E749 HydrophobicContact CD1-CG 3.78Å; L684-E749 HydrophobicContact CD2-CB 4.11Å; L684-E749 HydrophobicContact CD2-CG 4.09Å; L684-L750 HydrophobicContact CB-CD1 4.29Å; L684-I753 HydrophobicContact CD1-CD1 3.26Å; L684-I753 HydrophobicContact CD1-CG1 4.48Å |
| 685 | E | 84.5 | Confident | 82.7 | Confident | 89 Ų | 89 | 69 Ų | 69 | 42% | 0.416 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.5 | -73.3 | 173.1 | 168.8 | 0 | 0 | 111.4 | R681 G682 Y688 A689 L750 | R681-E685 IonicContact NE-OE1 2.77Å; R681-E685 WeakPolarHBondContact O-CG 3.47Å; R681-E685 PolarHBondContact O-N 3.01Å; G682-E685 PolarHBondContact O-N 3.37Å; E685-Y688 PolarHBondContact O-N 3.29Å; E685-A689 PolarHBondContact O-N 3.5Å; E685-A689 VanDerWaalsContact O-N 3.11Å; E685-L750 HydrophobicContact CG-CD1 3.66Å; E685-L750 HydrophobicContact CG-CD2 4.04Å |
| 686 | E | 85 | Confident | 82.5 | Confident | 140 Ų | 140 | 73.2 Ų | 73.2 | 65% | 0.654 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.3 | -47.1 | 173.8 | -70.2 | -175.8 | 173.2 | 0 | 0 | 111.8 | G682 Y688 A689 N690 | G682-E686 PolarHBondContact O-N 2.99Å; E686-Y688 VanDerWaalsContact C-N 3.31Å; E686-Y688 PolarHBondContact O-N 3.24Å; E686-A689 PolarHBondContact O-N 3.32Å; E686-N690 VanDerWaalsContact O-CG 3.31Å; E686-N690 PolarHBondContact O-N 3.11Å; E686-N690 VanDerWaalsContact O-N 3.1Å; E686-N690 PolarHBondContact O-ND2 3.49Å |
| 687 | E | 84.3 | Confident | 82.3 | Confident | 65 Ų | 65 | 72.8 Ų | 72.8 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 178 | -78.4 | -176.7 | -147.1 | 0 | 0 | 113 | R680 S683 L684 E691 K746 | R680-E687 IonicContact NH1-OE1 2.96Å; S683-E687 WeakPolarHBondContact O-CG 3.44Å; S683-E687 PolarHBondContact O-N 3.38Å; S683-E687 VanDerWaalsContact O-N 3.12Å; L684-E687 PolarHBondContact O-N 3.39Å; E687-E691 PolarHBondContact O-N 2.85Å; E687-K746 HydrophobicContact CB-CD 3.96Å; E687-K746 PolarHBondContact O-NZ 2.86Å; E687-K746 VanDerWaalsContact OE2-CE 3.26Å; E687-K746 WeakPolarHBondContact OE2-CE 3.31Å; E687-K746 IonicContact OE2-NZ 3.68Å |
| 688 | Y | 81.3 | Confident | 82.3 | Confident | 61 Ų | 61 | 74.1 Ų | 74.1 | 24% | 0.239 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.2 | 172 | -100.9 | 0 | 0 | 0 | 111.7 | L684 E685 E686 N690 E691 Q692 F743 K747 | L684-Y688 VanDerWaalsContact O-CB 3.25Å; L684-Y688 WeakPolarHBondContact O-CB 3.34Å; L684-Y688 PolarHBondContact O-N 2.91Å; E685-Y688 PolarHBondContact O-N 3.29Å; E686-Y688 VanDerWaalsContact C-N 3.31Å; E686-Y688 PolarHBondContact O-N 3.24Å; Y688-N690 VanDerWaalsContact C-N 3.31Å; Y688-N690 PolarHBondContact O-N 3.44Å; Y688-E691 PolarHBondContact O-N 3.39Å; Y688-Q692 PolarHBondContact O-N 3.14Å; Y688-F743 HydrophobicContact CD2-CD2 4.3Å; Y688-F743 HydrophobicContact CD2-CE2 4.04Å; Y688-F743 AromaticContact CE2-CD2 3.93Å; Y688-F743 HydrophobicContact CE2-CD2 3.93Å; Y688-F743 HydrophobicContact CE2-CE1 4.41Å; Y688-F743 AromaticContact CE2-CE2 3.3Å; Y688-F743 HydrophobicContact CE2-CE2 3.3Å; Y688-F743 AromaticContact CE2-CZ 3.6Å; Y688-F743 HydrophobicContact CE2-CZ 3.6Å; Y688-F743 AromaticContact CZ-CE2 3.65Å; Y688-F743 AromaticContact CZ-CZ 3.8Å; Y688-F743 WeakPolarHBondContact OH-CZ 3.4Å; Y688-K747 HydrophobicContact CD2-CB 4.24Å; Y688-K747 HydrophobicContact CE2-CB 3.89Å; Y688-K747 HydrophobicContact CE2-CG 4.3Å |
| 689 | A | 80.5 | Confident | 82.1 | Confident | 53 Ų | 53 | 76 Ų | 76 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E685 E686 Q692 G693 | E685-A689 PolarHBondContact O-N 3.5Å; E685-A689 VanDerWaalsContact O-N 3.11Å; E686-A689 PolarHBondContact O-N 3.32Å; A689-Q692 PolarHBondContact O-N 2.97Å; A689-G693 PolarHBondContact O-N 2.63Å |
| 690 | N | 83 | Confident | 81.9 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 178.5 | -73.3 | -27.9 | 0 | 0 | 0 | 113.2 | E686 Y688 Q692 G693 S694 | E686-N690 VanDerWaalsContact O-CG 3.31Å; E686-N690 PolarHBondContact O-N 3.11Å; E686-N690 VanDerWaalsContact O-N 3.1Å; E686-N690 PolarHBondContact O-ND2 3.49Å; Y688-N690 VanDerWaalsContact C-N 3.31Å; Y688-N690 PolarHBondContact O-N 3.44Å; N690-Q692 VanDerWaalsContact C-N 3.34Å; N690-Q692 PolarHBondContact O-N 3.19Å; N690-G693 PolarHBondContact O-N 3.36Å; N690-S694 WeakPolarHBondContact O-CB 3.3Å; N690-S694 PolarHBondContact O-N 3.29Å; N690-S694 VanDerWaalsContact O-N 3.09Å; N690-S694 PolarHBondContact O-OG 2.88Å |
| 691 | E | 79.4 | Confident | 81.7 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 11% | 0.112 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.1 | -69.7 | -56.4 | 162.1 | 0 | 0 | 112.2 | E687 Y688 G693 S694 V695 L739 F743 K746 | E687-E691 PolarHBondContact O-N 2.85Å; Y688-E691 PolarHBondContact O-N 3.39Å; E691-G693 VanDerWaalsContact C-N 3.29Å; E691-G693 PolarHBondContact O-N 3.28Å; E691-S694 WeakPolarHBondContact O-CB 3.4Å; E691-S694 PolarHBondContact O-N 2.92Å; E691-V695 PolarHBondContact O-N 3.32Å; E691-L739 VanDerWaalsContact OE2-CD2 3.3Å; E691-L739 WeakPolarHBondContact OE2-CD2 3.39Å; E691-F743 HydrophobicContact CB-CB 4.47Å; E691-F743 HydrophobicContact CB-CD2 4.34Å; E691-K746 HydrophobicContact CG-CD 3.75Å; E691-K746 VanDerWaalsContact CG-NZ 3.34Å; E691-K746 IonicContact OE1-NZ 2.77Å; E691-K746 PolarHBondContact OE1-NZ 3.45Å |
| 692 | Q | 76.5 | Confident | 81.5 | Confident | 117 Ų | 117 | 74.3 Ų | 74.3 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 179.7 | -168.6 | 179.2 | 13 | 0 | 0 | 111.9 | Y688 A689 N690 F743 | Y688-Q692 PolarHBondContact O-N 3.14Å; A689-Q692 PolarHBondContact O-N 2.97Å; N690-Q692 VanDerWaalsContact C-N 3.34Å; N690-Q692 PolarHBondContact O-N 3.19Å; Q692-F743 HydrophobicContact CB-CD2 4.49Å; Q692-F743 HydrophobicContact CB-CE2 4.09Å; Q692-F743 HydrophobicContact CG-CE2 4.3Å |
| 693 | G | 78.6 | Confident | 81.4 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.7 | -34.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A689 N690 E691 V695 F696 L697 | A689-G693 PolarHBondContact O-N 2.63Å; N690-G693 PolarHBondContact O-N 3.36Å; E691-G693 VanDerWaalsContact C-N 3.29Å; E691-G693 PolarHBondContact O-N 3.28Å; G693-V695 PolarHBondContact O-N 3.39Å; G693-F696 PolarHBondContact O-N 3.4Å; G693-L697 PolarHBondContact O-N 3.11Å |
| 694 | S | 79.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 79.6 Ų | 79.6 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -176.6 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | N690 E691 F696 L697 W698 | N690-S694 WeakPolarHBondContact O-CB 3.3Å; N690-S694 PolarHBondContact O-N 3.29Å; N690-S694 VanDerWaalsContact O-N 3.09Å; N690-S694 PolarHBondContact O-OG 2.88Å; E691-S694 WeakPolarHBondContact O-CB 3.4Å; E691-S694 PolarHBondContact O-N 2.92Å; S694-F696 VanDerWaalsContact C-N 3.25Å; S694-F696 PolarHBondContact O-N 3.41Å; S694-L697 PolarHBondContact O-N 3.1Å; S694-L697 VanDerWaalsContact O-N 3.13Å; S694-W698 PolarHBondContact O-N 2.87Å; S694-W698 VanDerWaalsContact O-N 3.1Å |
| 695 | V | 75.4 | Confident | 80.6 | Confident | 35 Ų | 35 | 79.6 Ų | 79.6 | 21% | 0.212 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.9 | -39.1 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | E691 G693 L739 | E691-V695 PolarHBondContact O-N 3.32Å; G693-V695 PolarHBondContact O-N 3.39Å; V695-L739 HydrophobicContact CG2-CB 3.83Å; V695-L739 HydrophobicContact CG2-CD1 4.31Å |
| 696 | F | 77.1 | Confident | 80.2 | Confident | 158 Ų | 158 | 79.2 Ų | 79.2 | 69% | 0.693 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.1 | -40.7 | 179.4 | -178.6 | -97.7 | 0 | 0 | 0 | 111.9 | G693 S694 K700 | G693-F696 PolarHBondContact O-N 3.4Å; S694-F696 VanDerWaalsContact C-N 3.25Å; S694-F696 PolarHBondContact O-N 3.41Å; F696-K700 PolarHBondContact O-N 3.16Å |
| 697 | L | 80.5 | Confident | 79.9 | Confident | 81 Ų | 81 | 80.7 Ų | 80.7 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -48.5 | -178.4 | -172.7 | 71.4 | 0 | 0 | 0 | 112.1 | G693 S694 R699 K700 F701 | G693-L697 PolarHBondContact O-N 3.11Å; S694-L697 PolarHBondContact O-N 3.1Å; S694-L697 VanDerWaalsContact O-N 3.13Å; L697-R699 PolarHBondContact O-N 3.03Å; L697-K700 WeakPolarHBondContact O-CB 3.32Å; L697-K700 PolarHBondContact O-N 2.93Å; L697-K700 VanDerWaalsContact O-N 3.16Å; L697-F701 HydrophobicContact CD1-CE1 4.03Å; L697-F701 HydrophobicContact CD1-CE2 4.07Å; L697-F701 HydrophobicContact CD1-CZ 3.6Å; L697-F701 HydrophobicContact CD2-CE2 3.78Å; L697-F701 HydrophobicContact CD2-CZ 3.99Å; L697-F701 HydrophobicContact CG-CD2 4.23Å; L697-F701 HydrophobicContact CG-CE1 4.38Å; L697-F701 HydrophobicContact CG-CE2 3.57Å; L697-F701 HydrophobicContact CG-CZ 3.66Å; L697-F701 PolarHBondContact O-N 2.99Å; L697-F701 VanDerWaalsContact O-N 3.12Å |
| 698 | W | 83.3 | Confident | 78.8 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 21% | 0.205 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | -177.1 | -71.7 | 112.4 | 0 | 0 | 0 | 112.9 | S694 K700 F701 R702 I732 R735 I736 L739 | S694-W698 PolarHBondContact O-N 2.87Å; S694-W698 VanDerWaalsContact O-N 3.1Å; W698-K700 VanDerWaalsContact C-N 3.29Å; W698-K700 PolarHBondContact O-N 3.25Å; W698-F701 HydrophobicContact CE3-CD2 4.1Å; W698-F701 HydrophobicContact CZ3-CD2 4.37Å; W698-F701 PolarHBondContact O-N 3.47Å; W698-R702 PolarHBondContact O-N 3.27Å; W698-R702 VanDerWaalsContact O-N 3.1Å; W698-I732 HydrophobicContact CE3-CG1 4.07Å; W698-I732 HydrophobicContact CE3-CG2 4.29Å; W698-I732 HydrophobicContact CZ3-CG1 4.03Å; W698-R735 HydrophobicContact CD2-CB 4.46Å; W698-R735 HydrophobicContact CD2-CG 4.18Å; W698-R735 HydrophobicContact CZ2-CG 4.1Å; W698-I736 HydrophobicContact CB-CD1 4.37Å; W698-I736 HydrophobicContact CB-CG1 3.76Å; W698-L739 HydrophobicContact CB-CD1 4.34Å; W698-L739 HydrophobicContact CG-CD1 4.07Å |
| 699 | R | 81.4 | Confident | 78 | Confident | 141 Ų | 141 | 90.2 Ų | 90.2 | 53% | 0.532 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 174.4 | -74.1 | -178.9 | -175.8 | 163 | 3.4 | 112.1 | L697 R702 D703 I736 | L697-R699 PolarHBondContact O-N 3.03Å; R699-R702 WeakPolarHBondContact O-CB 3.33Å; R699-R702 PolarHBondContact O-N 3.39Å; R699-D703 PolarHBondContact O-N 3.27Å; R699-I736 HydrophobicContact CG-CD1 4.2Å; R699-I736 HydrophobicContact CG-CG2 4.49Å |
| 700 | K | 81.1 | Confident | 77.1 | Confident | 137 Ų | 137 | 88.5 Ų | 88.5 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69 | -36 | 179 | -166.7 | -179.2 | 179.8 | -177.6 | 0 | 112.8 | F696 L697 W698 R704 | F696-K700 PolarHBondContact O-N 3.16Å; L697-K700 WeakPolarHBondContact O-CB 3.32Å; L697-K700 PolarHBondContact O-N 2.93Å; L697-K700 VanDerWaalsContact O-N 3.16Å; W698-K700 VanDerWaalsContact C-N 3.29Å; W698-K700 PolarHBondContact O-N 3.25Å; K700-R704 PolarHBondContact O-N 3.43Å |
| 701 | F | 83.5 | Confident | 76.8 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 18% | 0.18 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 175.6 | -67.7 | -24.7 | 0 | 0 | 0 | 112.3 | L697 W698 D703 R704 L705 P713 V714 I732 | L697-F701 HydrophobicContact CD1-CE1 4.03Å; L697-F701 HydrophobicContact CD1-CE2 4.07Å; L697-F701 HydrophobicContact CD1-CZ 3.6Å; L697-F701 HydrophobicContact CD2-CE2 3.78Å; L697-F701 HydrophobicContact CD2-CZ 3.99Å; L697-F701 HydrophobicContact CG-CD2 4.23Å; L697-F701 HydrophobicContact CG-CE1 4.38Å; L697-F701 HydrophobicContact CG-CE2 3.57Å; L697-F701 HydrophobicContact CG-CZ 3.66Å; L697-F701 PolarHBondContact O-N 2.99Å; L697-F701 VanDerWaalsContact O-N 3.12Å; W698-F701 HydrophobicContact CE3-CD2 4.1Å; W698-F701 HydrophobicContact CZ3-CD2 4.37Å; W698-F701 PolarHBondContact O-N 3.47Å; F701-D703 VanDerWaalsContact C-N 3.33Å; F701-D703 PolarHBondContact O-N 3.38Å; F701-R704 PolarHBondContact O-N 3.38Å; F701-L705 PolarHBondContact O-N 3.35Å; F701-L705 VanDerWaalsContact O-N 3.13Å; F701-P713 HydrophobicContact CB-CG 4.12Å; F701-P713 HydrophobicContact CD1-CB 3.83Å; F701-P713 HydrophobicContact CD1-CG 4.07Å; F701-P713 HydrophobicContact CE1-CB 4.41Å; F701-P713 HydrophobicContact CG-CB 4.47Å; F701-P713 HydrophobicContact CG-CG 4.23Å; F701-V714 HydrophobicContact CE1-CG2 4.42Å; F701-V714 HydrophobicContact CE2-CG2 4.32Å; F701-V714 HydrophobicContact CZ-CG2 4.06Å; F701-I732 HydrophobicContact CB-CD1 4.14Å |
| 702 | R | 82.5 | Confident | 76.7 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.1 | -47.6 | 173.9 | -170.1 | -152.7 | -172 | -125.1 | -3.1 | 112.2 | W698 R699 R704 L705 S706 L729 I732 D733 I736 | W698-R702 PolarHBondContact O-N 3.27Å; W698-R702 VanDerWaalsContact O-N 3.1Å; R699-R702 WeakPolarHBondContact O-CB 3.33Å; R699-R702 PolarHBondContact O-N 3.39Å; R702-R704 VanDerWaalsContact C-N 3.25Å; R702-R704 PolarHBondContact O-N 2.89Å; R702-L705 PolarHBondContact O-N 3.23Å; R702-S706 PolarHBondContact O-N 2.92Å; R702-S706 PolarHBondContact O-OG 3.16Å; R702-L729 HydrophobicContact CG-CD2 4.34Å; R702-I732 HydrophobicContact CB-CG2 3.74Å; R702-I732 HydrophobicContact CG-CG2 4.3Å; R702-D733 WeakPolarHBondContact CD-OD1 3.16Å; R702-D733 IonicContact CZ-OD1 2.75Å; R702-D733 IonicContact NE-OD1 3.73Å; R702-D733 PolarHBondContact NE-OD1 3.32Å; R702-D733 IonicContact NE-OD2 2.8Å; R702-D733 IonicContact NH2-OD1 3.63Å; R702-D733 IonicContact NH2-OD2 2.74Å; R702-D733 PolarHBondContact NH2-OD2 2.91Å; R702-I736 HydrophobicContact CB-CD1 4.02Å; R702-I736 HydrophobicContact CG-CD1 4.33Å |
| 703 | D | 79.6 | Confident | 76.6 | Confident | 97 Ų | 97 | 80.4 Ų | 80.4 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.6 | -22.6 | -178.6 | -72 | -13.4 | 0 | 0 | 0 | 113.8 | R699 F701 S706 | R699-D703 PolarHBondContact O-N 3.27Å; F701-D703 VanDerWaalsContact C-N 3.33Å; F701-D703 PolarHBondContact O-N 3.38Å; D703-S706 PolarHBondContact O-OG 3.42Å |
| 704 | R | 78.1 | Confident | 76.6 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -85.4 | -36.6 | 178.1 | -175.9 | 164 | 171.3 | -160.8 | -2.8 | 112.3 | K700 F701 R702 S706 D711 P713 H716 | K700-R704 PolarHBondContact O-N 3.43Å; F701-R704 PolarHBondContact O-N 3.38Å; R702-R704 VanDerWaalsContact C-N 3.25Å; R702-R704 PolarHBondContact O-N 2.89Å; R704-S706 VanDerWaalsContact C-N 3.31Å; R704-S706 PolarHBondContact O-N 3.43Å; R704-D711 IonicContact CZ-OD1 3.37Å; R704-D711 IonicContact NE-OD1 3.81Å; R704-D711 PolarHBondContact NE-OD1 2.9Å; R704-D711 IonicContact NH2-OD1 3.6Å; R704-D711 PolarHBondContact NH2-OD1 3.28Å; R704-D711 IonicContact NH2-OD2 3.54Å; R704-D711 PolarHBondContact NH2-OD2 2.86Å; R704-P713 HydrophobicContact CB-CB 4.23Å; R704-P713 HydrophobicContact CG-CB 4.12Å; R704-P713 PolarHBondContact NH1-O 2.85Å; R704-H716 PolarHBondContact NH2-CE1 3.13Å; R704-H716 PolarHBondContact NH2-ND1 2.92Å; R704-H716 VanDerWaalsContact NH2-ND1 3.18Å |
| 705 | L | 78.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74.6 | -16.1 | 179.9 | -77.8 | 162 | 0 | 0 | 0 | 114.2 | F701 R702 R707 S710 P713 F719 R725 L728 L729 I732 | F701-L705 PolarHBondContact O-N 3.35Å; F701-L705 VanDerWaalsContact O-N 3.13Å; R702-L705 PolarHBondContact O-N 3.23Å; L705-R707 VanDerWaalsContact C-N 3.28Å; L705-R707 PolarHBondContact O-N 3.01Å; L705-S710 PolarHBondContact O-OG 2.92Å; L705-P713 HydrophobicContact CD1-CG 3.83Å; L705-P713 VanDerWaalsContact CD2-CD 3.49Å; L705-P713 HydrophobicContact CD2-CG 4.33Å; L705-P713 HydrophobicContact CG-CG 3.87Å; L705-F719 HydrophobicContact CD2-CE2 3.66Å; L705-F719 HydrophobicContact CD2-CZ 3.52Å; L705-R725 WeakPolarHBondContact O-CD 3.37Å; L705-L728 HydrophobicContact CD1-CD2 3.71Å; L705-L728 HydrophobicContact CD1-CG 3.95Å; L705-L728 HydrophobicContact CD2-CD2 3.81Å; L705-L728 HydrophobicContact CG-CD2 4.44Å; L705-L729 HydrophobicContact CB-CD2 3.82Å; L705-L729 HydrophobicContact CB-CG 4Å; L705-I732 HydrophobicContact CD1-CD1 3.17Å |
| 706 | S | 75.3 | Confident | 76.9 | Confident | 80 Ų | 80 | 89.3 Ų | 89.3 | 56% | 0.559 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 6 | 179.9 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | R702 D703 R704 | R702-S706 PolarHBondContact O-N 2.92Å; R702-S706 PolarHBondContact O-OG 3.16Å; D703-S706 PolarHBondContact O-OG 3.42Å; R704-S706 VanDerWaalsContact C-N 3.31Å; R704-S706 PolarHBondContact O-N 3.43Å |
| 707 | R | 77.6 | Confident | 77 | Confident | 171 Ų | 171 | 88.2 Ų | 88.2 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -92.1 | 147 | -177.9 | -60.3 | 179.3 | -177.6 | -168.1 | -2.7 | 112.1 | L705 S710 | L705-R707 VanDerWaalsContact C-N 3.28Å; L705-R707 PolarHBondContact O-N 3.01Å; R707-S710 WeakPolarHBondContact O-CB 3.34Å; R707-S710 PolarHBondContact O-N 2.93Å; R707-S710 PolarHBondContact O-OG 3.22Å |
| 708 | I | 61.6 | Low | 76.8 | Confident | 162 Ų | 162 | 88.8 Ų | 88.8 | 83% | 0.831 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 133.8 | 171.7 | -56.3 | 171.1 | 0 | 0 | 0 | 108 | ||
| 709 | D | 64.1 | Low | 76.6 | Confident | 165 Ų | 165 | 88.6 Ų | 88.6 | 88% | 0.882 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 48.4 | -165.9 | -64.5 | -25.2 | 0 | 0 | 0 | 113.7 | ||
| 710 | S | 62.3 | Low | 76.1 | Confident | 16 Ų | 16 | 88 Ų | 88 | 11% | 0.112 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 136.5 | 176.7 | 30.2 | 0 | 0 | 0 | 0 | 112.3 | L705 R707 F719 R725 | L705-S710 PolarHBondContact O-OG 2.92Å; R707-S710 WeakPolarHBondContact O-CB 3.34Å; R707-S710 PolarHBondContact O-N 2.93Å; R707-S710 PolarHBondContact O-OG 3.22Å; S710-F719 VanDerWaalsContact O-CD2 3.28Å; S710-F719 WeakPolarHBondContact O-CD2 3.28Å; S710-R725 VanDerWaalsContact OG-CD 3.23Å; S710-R725 WeakPolarHBondContact OG-CD 3.31Å |
| 711 | D | 77.4 | Confident | 75.9 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -93.3 | 157.7 | 166 | 67.3 | -20.1 | 0 | 0 | 0 | 110.3 | R704 H716 | R704-D711 IonicContact CZ-OD1 3.37Å; R704-D711 IonicContact NE-OD1 3.81Å; R704-D711 PolarHBondContact NE-OD1 2.9Å; R704-D711 IonicContact NH2-OD1 3.6Å; R704-D711 PolarHBondContact NH2-OD1 3.28Å; R704-D711 IonicContact NH2-OD2 3.54Å; R704-D711 PolarHBondContact NH2-OD2 2.86Å; D711-H716 IonicContact OD2-CE1 3.8Å; D711-H716 IonicContact OD2-CG 2.8Å; D711-H716 IonicContact OD2-ND1 3.84Å; D711-H716 PolarHBondContact OD2-ND1 3.28Å |
| 712 | C | 75.9 | Confident | 75.6 | Confident | 19 Ų | 19 | 87.2 Ų | 87.2 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 127.3 | 170.9 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | V714 C715 H716 R717 F719 | C712-V714 PolarHBondContact O-N 3.44Å; C712-C715 WeakPolarHBondContact CB-SG 3.48Å; C712-C715 PolarHBondContact SG-SG 2.89Å; C712-H716 WeakPolarHBondContact O-CA 3.31Å; C712-H716 PolarHBondContact O-N 3.45Å; C712-R717 PolarHBondContact N-O 3.1Å; C712-F719 HydrophobicContact CB-CE2 4.49Å; C712-F719 HydrophobicContact CB-CZ 4.03Å |
| 713 | P | 74.2 | Confident | 75.4 | Confident | 14 Ų | 14 | 85.4 Ų | 85.4 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.1 | -175.2 | 27.2 | -35.9 | 0 | 0 | 0 | 113.9 | F701 R704 L705 | F701-P713 HydrophobicContact CB-CG 4.12Å; F701-P713 HydrophobicContact CD1-CB 3.83Å; F701-P713 HydrophobicContact CD1-CG 4.07Å; F701-P713 HydrophobicContact CE1-CB 4.41Å; F701-P713 HydrophobicContact CG-CB 4.47Å; F701-P713 HydrophobicContact CG-CG 4.23Å; R704-P713 HydrophobicContact CB-CB 4.23Å; R704-P713 HydrophobicContact CG-CB 4.12Å; R704-P713 PolarHBondContact NH1-O 2.85Å; L705-P713 HydrophobicContact CD1-CG 3.83Å; L705-P713 VanDerWaalsContact CD2-CD 3.49Å; L705-P713 HydrophobicContact CD2-CG 4.33Å; L705-P713 HydrophobicContact CG-CG 3.87Å |
| 714 | V | 78.8 | Confident | 75.4 | Confident | 106 Ų | 106 | 84.1 Ų | 84.1 | 64% | 0.642 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -49.3 | 180 | -178 | 0 | 0 | 0 | 0 | 111.6 | F701 C712 | F701-V714 HydrophobicContact CE1-CG2 4.42Å; F701-V714 HydrophobicContact CE2-CG2 4.32Å; F701-V714 HydrophobicContact CZ-CG2 4.06Å; C712-V714 PolarHBondContact O-N 3.44Å |
| 715 | C | 84.4 | Confident | 75.5 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 0.4 | -172 | 70.6 | 0 | 0 | 0 | 0 | 115.1 | C712 R717 | C712-C715 WeakPolarHBondContact CB-SG 3.48Å; C712-C715 PolarHBondContact SG-SG 2.89Å; C715-R717 PolarHBondContact O-N 3.4Å; C715-R717 VanDerWaalsContact SG-CB 3.52Å |
| 716 | H | 76.8 | Confident | 75.6 | Confident | 118 Ų | 118 | 85.8 Ų | 85.8 | 55% | 0.546 | 46% | 0.461 | S | S | . | . | trans | 58.7 | 9.2 | -179.7 | -58.2 | -77.9 | 0 | 0 | 0 | 115.5 | R704 D711 C712 C718 | R704-H716 PolarHBondContact NH2-CE1 3.13Å; R704-H716 PolarHBondContact NH2-ND1 2.92Å; R704-H716 VanDerWaalsContact NH2-ND1 3.18Å; D711-H716 IonicContact OD2-CE1 3.8Å; D711-H716 IonicContact OD2-CG 2.8Å; D711-H716 IonicContact OD2-ND1 3.84Å; D711-H716 PolarHBondContact OD2-ND1 3.28Å; C712-H716 WeakPolarHBondContact O-CA 3.31Å; C712-H716 PolarHBondContact O-N 3.45Å; H716-C718 PolarHBondContact O-N 3.49Å | ||
| 717 | R | 79.9 | Confident | 76 | Confident | 135 Ų | 135 | 88.9 Ų | 88.9 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 130.9 | 173.7 | 177.3 | 177.1 | 169.3 | -145.4 | -6.8 | 109.3 | C712 C715 D720 E724 | C712-R717 PolarHBondContact N-O 3.1Å; C715-R717 PolarHBondContact O-N 3.4Å; C715-R717 VanDerWaalsContact SG-CB 3.52Å; R717-D720 IonicContact CZ-OD2 3.94Å; R717-D720 IonicContact NH2-OD2 2.65Å; R717-D720 PolarHBondContact NH2-OD2 3.42Å; R717-E724 IonicContact NH2-OE2 3.83Å |
| 718 | C | 77.2 | Confident | 76.2 | Confident | 94 Ų | 94 | 82.9 Ų | 82.9 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | B | Isolated β-bridge | trans | -69.9 | 140.7 | 167.3 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | H716 | H716-C718 PolarHBondContact O-N 3.49Å |
| 719 | F | 77.6 | Confident | 77.1 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 22% | 0.219 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 134.5 | 176.3 | -62.6 | -83.1 | 0 | 0 | 0 | 110 | L705 S710 C712 S721 E724 R725 L728 | L705-F719 HydrophobicContact CD2-CE2 3.66Å; L705-F719 HydrophobicContact CD2-CZ 3.52Å; S710-F719 VanDerWaalsContact O-CD2 3.28Å; S710-F719 WeakPolarHBondContact O-CD2 3.28Å; C712-F719 HydrophobicContact CB-CE2 4.49Å; C712-F719 HydrophobicContact CB-CZ 4.03Å; F719-S721 PolarHBondContact O-N 3.4Å; F719-E724 HydrophobicContact CD1-CB 3.95Å; F719-R725 HydrophobicContact CD1-CB 4.37Å; F719-R725 HydrophobicContact CD2-CB 4.17Å; F719-R725 HydrophobicContact CD2-CG 4.38Å; F719-R725 HydrophobicContact CE2-CG 4.41Å; F719-R725 HydrophobicContact CG-CB 4.11Å; F719-L728 HydrophobicContact CE1-CD2 3.89Å; F719-L728 HydrophobicContact CZ-CD2 3.73Å |
| 720 | D | 72 | Confident | 78 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 68% | 0.679 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -77.2 | -16.9 | -179.4 | -65.1 | -54 | 0 | 0 | 0 | 111.3 | R717 E724 | R717-D720 IonicContact CZ-OD2 3.94Å; R717-D720 IonicContact NH2-OD2 2.65Å; R717-D720 PolarHBondContact NH2-OD2 3.42Å; D720-E724 PolarHBondContact N-OE2 3.37Å |
| 721 | S | 76.5 | Confident | 79.1 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -151 | 151.5 | 171.9 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | F719 A723 E724 | F719-S721 PolarHBondContact O-N 3.4Å; S721-A723 PolarHBondContact O-N 3.07Å; S721-A723 VanDerWaalsContact O-N 3.16Å; S721-E724 PolarHBondContact O-N 2.67Å |
| 722 | D | 76.1 | Confident | 79.3 | Confident | 107 Ų | 107 | 75.9 Ų | 75.9 | 57% | 0.572 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59 | -24.4 | 173.6 | -77.3 | -54.3 | 0 | 0 | 0 | 113 | R725 D726 | D722-R725 PolarHBondContact O-N 3.43Å; D722-R725 IonicContact OD1-CZ 2.76Å; D722-R725 IonicContact OD1-NH1 3.08Å; D722-R725 PolarHBondContact OD1-NH1 3.14Å; D722-R725 IonicContact OD1-NH2 3.58Å; D722-D726 PolarHBondContact O-N 3.08Å; D722-D726 VanDerWaalsContact O-N 3.11Å |
| 723 | A | 79.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 77.1 Ų | 77.1 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S721 R725 D726 E727 | S721-A723 PolarHBondContact O-N 3.07Å; S721-A723 VanDerWaalsContact O-N 3.16Å; A723-R725 VanDerWaalsContact C-N 3.32Å; A723-R725 PolarHBondContact O-N 3.48Å; A723-D726 PolarHBondContact O-N 3.14Å; A723-E727 WeakPolarHBondContact O-CB 3.45Å; A723-E727 PolarHBondContact O-N 2.99Å |
| 724 | E | 79.2 | Confident | 80 | Confident | 71 Ų | 71 | 81 Ų | 81 | 33% | 0.332 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 177.1 | -68.2 | -174.5 | 160.6 | 0 | 0 | 111.8 | R717 F719 D720 S721 L728 | R717-E724 IonicContact NH2-OE2 3.83Å; F719-E724 HydrophobicContact CD1-CB 3.95Å; D720-E724 PolarHBondContact N-OE2 3.37Å; S721-E724 PolarHBondContact O-N 2.67Å; E724-L728 WeakPolarHBondContact O-CB 3.22Å; E724-L728 PolarHBondContact O-N 3.09Å |
| 725 | R | 79.7 | Confident | 80 | Confident | 47 Ų | 47 | 81.6 Ų | 81.6 | 18% | 0.177 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 176.8 | -176.3 | -160.6 | 68 | -146.3 | -8.7 | 111.6 | L705 S710 F719 D722 A723 L728 L729 | L705-R725 WeakPolarHBondContact O-CD 3.37Å; S710-R725 VanDerWaalsContact OG-CD 3.23Å; S710-R725 WeakPolarHBondContact OG-CD 3.31Å; F719-R725 HydrophobicContact CD1-CB 4.37Å; F719-R725 HydrophobicContact CD2-CB 4.17Å; F719-R725 HydrophobicContact CD2-CG 4.38Å; F719-R725 HydrophobicContact CE2-CG 4.41Å; F719-R725 HydrophobicContact CG-CB 4.11Å; D722-R725 PolarHBondContact O-N 3.43Å; D722-R725 IonicContact OD1-CZ 2.76Å; D722-R725 IonicContact OD1-NH1 3.08Å; D722-R725 PolarHBondContact OD1-NH1 3.14Å; D722-R725 IonicContact OD1-NH2 3.58Å; A723-R725 VanDerWaalsContact C-N 3.32Å; A723-R725 PolarHBondContact O-N 3.48Å; R725-L728 PolarHBondContact O-N 2.99Å; R725-L729 HydrophobicContact CG-CD1 4.31Å; R725-L729 PolarHBondContact O-N 3.28Å |
| 726 | D | 82 | Confident | 79.8 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.7 | -32.6 | -176.5 | -69.1 | -8.1 | 0 | 0 | 0 | 112 | D722 A723 L729 N730 | D722-D726 PolarHBondContact O-N 3.08Å; D722-D726 VanDerWaalsContact O-N 3.11Å; A723-D726 PolarHBondContact O-N 3.14Å; D726-L729 PolarHBondContact O-N 3.01Å; D726-N730 WeakPolarHBondContact O-CB 3.49Å; D726-N730 PolarHBondContact O-N 3.49Å; D726-N730 PolarHBondContact O-ND2 3.09Å |
| 727 | E | 83.5 | Confident | 80 | Confident | 144 Ų | 144 | 81.5 Ų | 81.5 | 67% | 0.673 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 170 | -168.5 | 170 | -163.6 | 0 | 0 | 111.1 | A723 N730 E731 | A723-E727 WeakPolarHBondContact O-CB 3.45Å; A723-E727 PolarHBondContact O-N 2.99Å; E727-N730 PolarHBondContact O-N 3.09Å; E727-E731 PolarHBondContact O-N 3.27Å |
| 728 | L | 80.5 | Confident | 80 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176.1 | -174.2 | 65.2 | 0 | 0 | 0 | 112.9 | L705 F719 E724 R725 E731 I732 | L705-L728 HydrophobicContact CD1-CD2 3.71Å; L705-L728 HydrophobicContact CD1-CG 3.95Å; L705-L728 HydrophobicContact CD2-CD2 3.81Å; L705-L728 HydrophobicContact CG-CD2 4.44Å; F719-L728 HydrophobicContact CE1-CD2 3.89Å; F719-L728 HydrophobicContact CZ-CD2 3.73Å; E724-L728 WeakPolarHBondContact O-CB 3.22Å; E724-L728 PolarHBondContact O-N 3.09Å; R725-L728 PolarHBondContact O-N 2.99Å; L728-E731 PolarHBondContact O-N 3.41Å; L728-I732 HydrophobicContact CG-CD1 4.25Å; L728-I732 WeakPolarHBondContact O-CG1 3.35Å; L728-I732 PolarHBondContact O-N 3.16Å |
| 729 | L | 81.4 | Confident | 80 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.7 | -88.4 | 165.1 | 0 | 0 | 0 | 111.8 | R702 L705 R725 D726 E731 I732 D733 | R702-L729 HydrophobicContact CG-CD2 4.34Å; L705-L729 HydrophobicContact CB-CD2 3.82Å; L705-L729 HydrophobicContact CB-CG 4Å; R725-L729 HydrophobicContact CG-CD1 4.31Å; R725-L729 PolarHBondContact O-N 3.28Å; D726-L729 PolarHBondContact O-N 3.01Å; L729-E731 VanDerWaalsContact C-N 3.35Å; L729-I732 PolarHBondContact O-N 3.45Å; L729-D733 WeakPolarHBondContact O-CB 3.39Å; L729-D733 PolarHBondContact O-N 3.32Å |
| 730 | N | 83.8 | Confident | 80 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 174.8 | -81.3 | -40.3 | 0 | 0 | 0 | 112 | D726 E727 D733 N734 | D726-N730 WeakPolarHBondContact O-CB 3.49Å; D726-N730 PolarHBondContact O-N 3.49Å; D726-N730 PolarHBondContact O-ND2 3.09Å; E727-N730 PolarHBondContact O-N 3.09Å; N730-D733 PolarHBondContact O-N 3.36Å; N730-N734 WeakPolarHBondContact O-CB 3.36Å; N730-N734 VanDerWaalsContact O-CG 3.25Å; N730-N734 PolarHBondContact O-N 3.35Å; N730-N734 PolarHBondContact O-ND2 2.8Å |
| 731 | E | 83.5 | Confident | 80.3 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.4 | -164.7 | -176.1 | 169.2 | 0 | 0 | 111.4 | E727 L728 L729 N734 R735 | E727-E731 PolarHBondContact O-N 3.27Å; L728-E731 PolarHBondContact O-N 3.41Å; L729-E731 VanDerWaalsContact C-N 3.35Å; E731-N734 PolarHBondContact O-N 3.39Å; E731-R735 PolarHBondContact O-N 3.4Å |
| 732 | I | 82.7 | Confident | 80.3 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 178 | -68.4 | 169 | 0 | 0 | 0 | 111.7 | W698 F701 R702 L705 L728 L729 N734 R735 I736 | W698-I732 HydrophobicContact CE3-CG1 4.07Å; W698-I732 HydrophobicContact CE3-CG2 4.29Å; W698-I732 HydrophobicContact CZ3-CG1 4.03Å; F701-I732 HydrophobicContact CB-CD1 4.14Å; R702-I732 HydrophobicContact CB-CG2 3.74Å; R702-I732 HydrophobicContact CG-CG2 4.3Å; L705-I732 HydrophobicContact CD1-CD1 3.17Å; L728-I732 HydrophobicContact CG-CD1 4.25Å; L728-I732 WeakPolarHBondContact O-CG1 3.35Å; L728-I732 PolarHBondContact O-N 3.16Å; L729-I732 PolarHBondContact O-N 3.45Å; I732-N734 VanDerWaalsContact C-N 3.34Å; I732-N734 PolarHBondContact O-N 3.34Å; I732-R735 WeakPolarHBondContact O-CB 3.34Å; I732-R735 PolarHBondContact O-N 3.11Å; I732-R735 VanDerWaalsContact O-N 3.15Å; I732-I736 HydrophobicContact CG2-CD1 3.86Å; I732-I736 HydrophobicContact CG2-CG1 4.39Å; I732-I736 WeakPolarHBondContact O-CG1 3.42Å; I732-I736 PolarHBondContact O-N 3.34Å |
| 733 | D | 82.6 | Confident | 80.5 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 177.6 | -92.2 | -13.7 | 0 | 0 | 0 | 112.5 | R702 L729 N730 R735 K737 | R702-D733 WeakPolarHBondContact CD-OD1 3.16Å; R702-D733 IonicContact CZ-OD1 2.75Å; R702-D733 IonicContact NE-OD1 3.73Å; R702-D733 PolarHBondContact NE-OD1 3.32Å; R702-D733 IonicContact NE-OD2 2.8Å; R702-D733 IonicContact NH2-OD1 3.63Å; R702-D733 IonicContact NH2-OD2 2.74Å; R702-D733 PolarHBondContact NH2-OD2 2.91Å; L729-D733 WeakPolarHBondContact O-CB 3.39Å; L729-D733 PolarHBondContact O-N 3.32Å; N730-D733 PolarHBondContact O-N 3.36Å; D733-R735 VanDerWaalsContact C-N 3.32Å; D733-K737 WeakPolarHBondContact O-CG 3.44Å; D733-K737 PolarHBondContact O-N 3.44Å |
| 734 | N | 82.4 | Confident | 80.5 | Confident | 96 Ų | 96 | 72 Ų | 72 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 172.2 | -73 | -27.3 | 0 | 0 | 0 | 111.9 | N730 E731 I732 K737 T738 | N730-N734 WeakPolarHBondContact O-CB 3.36Å; N730-N734 VanDerWaalsContact O-CG 3.25Å; N730-N734 PolarHBondContact O-N 3.35Å; N730-N734 PolarHBondContact O-ND2 2.8Å; E731-N734 PolarHBondContact O-N 3.39Å; I732-N734 VanDerWaalsContact C-N 3.34Å; I732-N734 PolarHBondContact O-N 3.34Å; N734-K737 PolarHBondContact O-N 2.73Å; N734-T738 PolarHBondContact O-N 2.61Å; N734-T738 PolarHBondContact O-OG1 3.36Å; N734-T738 VanDerWaalsContact O-OG1 3.09Å |
| 735 | R | 79.2 | Confident | 80.8 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 176.5 | -148.6 | 129.6 | -175.5 | 177.9 | -0.3 | 112.4 | W698 E731 I732 D733 K737 T738 L739 | W698-R735 HydrophobicContact CD2-CB 4.46Å; W698-R735 HydrophobicContact CD2-CG 4.18Å; W698-R735 HydrophobicContact CZ2-CG 4.1Å; E731-R735 PolarHBondContact O-N 3.4Å; I732-R735 WeakPolarHBondContact O-CB 3.34Å; I732-R735 PolarHBondContact O-N 3.11Å; I732-R735 VanDerWaalsContact O-N 3.15Å; D733-R735 VanDerWaalsContact C-N 3.32Å; R735-K737 VanDerWaalsContact C-N 3.26Å; R735-K737 PolarHBondContact O-N 2.63Å; R735-T738 PolarHBondContact O-N 2.82Å; R735-T738 PolarHBondContact O-OG1 2.86Å; R735-L739 WeakPolarHBondContact O-CD1 3.43Å; R735-L739 VanDerWaalsContact O-CG 3.26Å; R735-L739 WeakPolarHBondContact O-CG 3.4Å; R735-L739 PolarHBondContact O-N 3.34Å |
| 736 | I | 79.5 | Confident | 81 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 18% | 0.179 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -31.6 | 176.7 | -68.4 | 168.6 | 0 | 0 | 0 | 112 | W698 R699 R702 I732 P740 | W698-I736 HydrophobicContact CB-CD1 4.37Å; W698-I736 HydrophobicContact CB-CG1 3.76Å; R699-I736 HydrophobicContact CG-CD1 4.2Å; R699-I736 HydrophobicContact CG-CG2 4.49Å; R702-I736 HydrophobicContact CB-CD1 4.02Å; R702-I736 HydrophobicContact CG-CD1 4.33Å; I732-I736 HydrophobicContact CG2-CD1 3.86Å; I732-I736 HydrophobicContact CG2-CG1 4.39Å; I732-I736 WeakPolarHBondContact O-CG1 3.42Å; I732-I736 PolarHBondContact O-N 3.34Å; I736-P740 WeakPolarHBondContact O-CD 3.44Å |
| 737 | K | 80.8 | Confident | 81 | Confident | 159 Ų | 159 | 75.5 Ų | 75.5 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -73.6 | -28 | 177.8 | -74.6 | 174 | -176.5 | 170.4 | 0 | 114.1 | D733 N734 R735 | D733-K737 WeakPolarHBondContact O-CG 3.44Å; D733-K737 PolarHBondContact O-N 3.44Å; N734-K737 PolarHBondContact O-N 2.73Å; R735-K737 VanDerWaalsContact C-N 3.26Å; R735-K737 PolarHBondContact O-N 2.63Å |
| 738 | T | 80 | Confident | 81.1 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -88.2 | -34.5 | -173.7 | 41.3 | 0 | 0 | 0 | 0 | 113.1 | N734 R735 P740 S741 | N734-T738 PolarHBondContact O-N 2.61Å; N734-T738 PolarHBondContact O-OG1 3.36Å; N734-T738 VanDerWaalsContact O-OG1 3.09Å; R735-T738 PolarHBondContact O-N 2.82Å; R735-T738 PolarHBondContact O-OG1 2.86Å; T738-P740 VanDerWaalsContact C-CD 3.49Å; T738-S741 PolarHBondContact O-N 2.9Å; T738-S741 VanDerWaalsContact O-N 3.14Å; T738-S741 PolarHBondContact O-OG 3.28Å |
| 739 | L | 77.2 | Confident | 81.4 | Confident | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.5 | -40.5 | -175.6 | -68.9 | 159 | 0 | 0 | 0 | 116.3 | E691 V695 W698 R735 S741 E742 F743 | E691-L739 VanDerWaalsContact OE2-CD2 3.3Å; E691-L739 WeakPolarHBondContact OE2-CD2 3.39Å; V695-L739 HydrophobicContact CG2-CB 3.83Å; V695-L739 HydrophobicContact CG2-CD1 4.31Å; W698-L739 HydrophobicContact CB-CD1 4.34Å; W698-L739 HydrophobicContact CG-CD1 4.07Å; R735-L739 WeakPolarHBondContact O-CD1 3.43Å; R735-L739 VanDerWaalsContact O-CG 3.26Å; R735-L739 WeakPolarHBondContact O-CG 3.4Å; R735-L739 PolarHBondContact O-N 3.34Å; L739-S741 PolarHBondContact O-N 3.1Å; L739-E742 PolarHBondContact O-N 3.44Å; L739-F743 PolarHBondContact O-N 2.93Å |
| 740 | P | 76.8 | Confident | 81.7 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 179.7 | -23.7 | 34.9 | 0 | 0 | 0 | 113.6 | I736 T738 E744 | I736-P740 WeakPolarHBondContact O-CD 3.44Å; T738-P740 VanDerWaalsContact C-CD 3.49Å; P740-E744 PolarHBondContact O-N 3.48Å |
| 741 | S | 79.2 | Confident | 81.8 | Confident | 80 Ų | 80 | 76 Ų | 76 | 56% | 0.559 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.4 | -36.2 | 178.8 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | T738 L739 R745 | T738-S741 PolarHBondContact O-N 2.9Å; T738-S741 VanDerWaalsContact O-N 3.14Å; T738-S741 PolarHBondContact O-OG 3.28Å; L739-S741 PolarHBondContact O-N 3.1Å; S741-R745 PolarHBondContact O-N 3.29Å |
| 742 | E | 77.3 | Confident | 81.9 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 177 | -64.6 | -173.3 | 141.3 | 0 | 0 | 111.6 | L739 R745 K746 | L739-E742 PolarHBondContact O-N 3.44Å; E742-R745 PolarHBondContact O-N 2.92Å; E742-K746 PolarHBondContact O-N 2.85Å; E742-K746 VanDerWaalsContact O-N 3.16Å |
| 743 | F | 78.7 | Confident | 82.1 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 173.9 | 175.8 | -97.6 | 0 | 0 | 0 | 112.7 | Y688 E691 Q692 L739 R745 K746 K747 | Y688-F743 HydrophobicContact CD2-CD2 4.3Å; Y688-F743 HydrophobicContact CD2-CE2 4.04Å; Y688-F743 AromaticContact CE2-CD2 3.93Å; Y688-F743 HydrophobicContact CE2-CD2 3.93Å; Y688-F743 HydrophobicContact CE2-CE1 4.41Å; Y688-F743 AromaticContact CE2-CE2 3.3Å; Y688-F743 HydrophobicContact CE2-CE2 3.3Å; Y688-F743 AromaticContact CE2-CZ 3.6Å; Y688-F743 HydrophobicContact CE2-CZ 3.6Å; Y688-F743 AromaticContact CZ-CE2 3.65Å; Y688-F743 AromaticContact CZ-CZ 3.8Å; Y688-F743 WeakPolarHBondContact OH-CZ 3.4Å; E691-F743 HydrophobicContact CB-CB 4.47Å; E691-F743 HydrophobicContact CB-CD2 4.34Å; Q692-F743 HydrophobicContact CB-CD2 4.49Å; Q692-F743 HydrophobicContact CB-CE2 4.09Å; Q692-F743 HydrophobicContact CG-CE2 4.3Å; L739-F743 PolarHBondContact O-N 2.93Å; F743-R745 VanDerWaalsContact C-N 3.34Å; F743-R745 PolarHBondContact O-N 2.92Å; F743-K746 PolarHBondContact O-N 2.66Å; F743-K747 PolarHBondContact O-N 2.77Å; F743-K747 VanDerWaalsContact O-N 3.16Å |
| 744 | E | 80.6 | Confident | 82.1 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.3 | -33 | -178.3 | -158.2 | 64.6 | -156.9 | 0 | 0 | 111.8 | P740 K747 Q748 | P740-E744 PolarHBondContact O-N 3.48Å; E744-K747 PolarHBondContact O-N 2.76Å; E744-K747 IonicContact OE1-NZ 3.14Å; E744-K747 PolarHBondContact OE1-NZ 2.95Å; E744-K747 IonicContact OE2-NZ 3.82Å; E744-K747 PolarHBondContact OE2-NZ 3.48Å; E744-Q748 PolarHBondContact O-N 3.41Å; E744-Q748 VanDerWaalsContact O-N 3.09Å |
| 745 | R | 85 | Confident | 82.2 | Confident | 152 Ų | 152 | 74.3 Ų | 74.3 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.6 | -50.6 | 174.2 | -171.7 | -174.8 | 74.5 | -169.4 | -1.1 | 111.9 | S741 E742 F743 K747 Q748 E749 | S741-R745 PolarHBondContact O-N 3.29Å; E742-R745 PolarHBondContact O-N 2.92Å; F743-R745 VanDerWaalsContact C-N 3.34Å; F743-R745 PolarHBondContact O-N 2.92Å; R745-K747 VanDerWaalsContact C-N 3.32Å; R745-K747 PolarHBondContact O-N 3.32Å; R745-Q748 PolarHBondContact O-N 3.48Å; R745-E749 PolarHBondContact O-N 3.34Å |
| 746 | K | 83.7 | Confident | 82.3 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | -179.5 | -73.7 | 178 | 174.4 | 175 | 0 | 112.4 | E687 E691 E742 F743 E749 L750 | E687-K746 HydrophobicContact CB-CD 3.96Å; E687-K746 PolarHBondContact O-NZ 2.86Å; E687-K746 VanDerWaalsContact OE2-CE 3.26Å; E687-K746 WeakPolarHBondContact OE2-CE 3.31Å; E687-K746 IonicContact OE2-NZ 3.68Å; E691-K746 HydrophobicContact CG-CD 3.75Å; E691-K746 VanDerWaalsContact CG-NZ 3.34Å; E691-K746 IonicContact OE1-NZ 2.77Å; E691-K746 PolarHBondContact OE1-NZ 3.45Å; E742-K746 PolarHBondContact O-N 2.85Å; E742-K746 VanDerWaalsContact O-N 3.16Å; F743-K746 PolarHBondContact O-N 2.66Å; K746-E749 PolarHBondContact O-N 2.95Å; K746-L750 WeakPolarHBondContact O-CB 3.38Å; K746-L750 PolarHBondContact O-N 3.11Å |
| 747 | K | 83 | Confident | 82.4 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 39% | 0.387 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 174.8 | -179.2 | -179.4 | 160.9 | -149.8 | 0 | 112.6 | Y688 F743 E744 R745 K751 | Y688-K747 HydrophobicContact CD2-CB 4.24Å; Y688-K747 HydrophobicContact CE2-CB 3.89Å; Y688-K747 HydrophobicContact CE2-CG 4.3Å; F743-K747 PolarHBondContact O-N 2.77Å; F743-K747 VanDerWaalsContact O-N 3.16Å; E744-K747 PolarHBondContact O-N 2.76Å; E744-K747 IonicContact OE1-NZ 3.14Å; E744-K747 PolarHBondContact OE1-NZ 2.95Å; E744-K747 IonicContact OE2-NZ 3.82Å; E744-K747 PolarHBondContact OE2-NZ 3.48Å; R745-K747 VanDerWaalsContact C-N 3.32Å; R745-K747 PolarHBondContact O-N 3.32Å; K747-K751 PolarHBondContact O-N 3.15Å |
| 748 | Q | 85.7 | Confident | 82.5 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 177.1 | -171.8 | 63.7 | 29.9 | 0 | 0 | 111.2 | E744 R745 L750 K751 D752 | E744-Q748 PolarHBondContact O-N 3.41Å; E744-Q748 VanDerWaalsContact O-N 3.09Å; R745-Q748 PolarHBondContact O-N 3.48Å; Q748-L750 PolarHBondContact O-N 3.35Å; Q748-K751 WeakPolarHBondContact O-CB 3.35Å; Q748-K751 PolarHBondContact O-N 3.14Å; Q748-K751 VanDerWaalsContact O-N 3.16Å; Q748-D752 PolarHBondContact NE2-OD1 3.33Å; Q748-D752 PolarHBondContact O-N 3.38Å |
| 749 | E | 87 | Confident | 82.4 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 178.1 | -165.7 | 178.2 | 170.1 | 0 | 0 | 112.2 | R680 L684 R745 K746 K751 D752 I753 | R680-E749 IonicContact CZ-OE1 2.9Å; R680-E749 IonicContact NE-OE1 2.7Å; R680-E749 IonicContact NH2-OE1 2.98Å; R680-E749 PolarHBondContact NH2-OE1 3.39Å; R680-E749 IonicContact NH2-OE2 3.75Å; L684-E749 HydrophobicContact CD1-CB 4.45Å; L684-E749 HydrophobicContact CD1-CG 3.78Å; L684-E749 HydrophobicContact CD2-CB 4.11Å; L684-E749 HydrophobicContact CD2-CG 4.09Å; R745-E749 PolarHBondContact O-N 3.34Å; K746-E749 PolarHBondContact O-N 2.95Å; E749-K751 VanDerWaalsContact C-N 3.33Å; E749-K751 PolarHBondContact O-N 3.08Å; E749-D752 PolarHBondContact O-N 3.18Å; E749-I753 WeakPolarHBondContact O-CG1 3.37Å; E749-I753 PolarHBondContact O-N 3.41Å |
| 750 | L | 86.6 | Confident | 82.5 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.7 | -176.6 | 64 | 0 | 0 | 0 | 111.9 | R681 L684 E685 K746 Q748 I753 V754 | R681-L750 HydrophobicContact CG-CD1 3.96Å; L684-L750 HydrophobicContact CB-CD1 4.29Å; E685-L750 HydrophobicContact CG-CD1 3.66Å; E685-L750 HydrophobicContact CG-CD2 4.04Å; K746-L750 WeakPolarHBondContact O-CB 3.38Å; K746-L750 PolarHBondContact O-N 3.11Å; Q748-L750 PolarHBondContact O-N 3.35Å; L750-I753 PolarHBondContact O-N 2.95Å; L750-V754 VanDerWaalsContact O-CG2 3.28Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.26Å |
| 751 | K | 86.1 | Confident | 82.7 | Confident | 142 Ų | 142 | 70.7 Ų | 70.7 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 177.2 | -171.1 | -179.1 | 177.9 | -176.3 | 0 | 111.8 | K747 Q748 E749 S755 | K747-K751 PolarHBondContact O-N 3.15Å; Q748-K751 WeakPolarHBondContact O-CB 3.35Å; Q748-K751 PolarHBondContact O-N 3.14Å; Q748-K751 VanDerWaalsContact O-N 3.16Å; E749-K751 VanDerWaalsContact C-N 3.33Å; E749-K751 PolarHBondContact O-N 3.08Å; K751-S755 PolarHBondContact O-N 3.11Å; K751-S755 VanDerWaalsContact O-N 3.14Å |
| 752 | D | 86.7 | Confident | 82.7 | Confident | 85 Ų | 85 | 73.8 Ų | 73.8 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 179.3 | -65.1 | -16.4 | 0 | 0 | 0 | 111.3 | Q748 E749 S755 R756 | Q748-D752 PolarHBondContact NE2-OD1 3.33Å; Q748-D752 PolarHBondContact O-N 3.38Å; E749-D752 PolarHBondContact O-N 3.18Å; D752-S755 PolarHBondContact O-N 3.11Å; D752-S755 PolarHBondContact O-OG 2.77Å; D752-R756 PolarHBondContact O-N 3.39Å; D752-R756 VanDerWaalsContact O-N 3.1Å |
| 753 | I | 85.9 | Confident | 82.7 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.2 | -68.4 | -178.2 | 0 | 0 | 0 | 112.4 | R680 R681 L684 E749 L750 S755 R756 L757 | R680-I753 HydrophobicContact CB-CD1 4.19Å; R680-I753 HydrophobicContact CG-CD1 3.38Å; R681-I753 HydrophobicContact CB-CG2 4.01Å; L684-I753 HydrophobicContact CD1-CD1 3.26Å; L684-I753 HydrophobicContact CD1-CG1 4.48Å; E749-I753 WeakPolarHBondContact O-CG1 3.37Å; E749-I753 PolarHBondContact O-N 3.41Å; L750-I753 PolarHBondContact O-N 2.95Å; I753-S755 VanDerWaalsContact C-N 3.32Å; I753-S755 PolarHBondContact O-N 3.39Å; I753-R756 PolarHBondContact O-N 3.32Å; I753-L757 HydrophobicContact CG2-CD1 4.12Å; I753-L757 PolarHBondContact O-N 3.43Å |
| 754 | V | 83.4 | Confident | 82.7 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | L750 R756 L757 E758 | L750-V754 VanDerWaalsContact O-CG2 3.28Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.26Å; V754-R756 VanDerWaalsContact C-N 3.28Å; V754-R756 PolarHBondContact O-N 3.42Å; V754-L757 PolarHBondContact O-N 2.98Å; V754-E758 WeakPolarHBondContact O-CG 3.49Å; V754-E758 PolarHBondContact O-N 3.17Å |
| 755 | S | 83.5 | Confident | 82.8 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 176.8 | 77 | 0 | 0 | 0 | 0 | 113.3 | K751 D752 I753 S759 | K751-S755 PolarHBondContact O-N 3.11Å; K751-S755 VanDerWaalsContact O-N 3.14Å; D752-S755 PolarHBondContact O-N 3.11Å; D752-S755 PolarHBondContact O-OG 2.77Å; I753-S755 VanDerWaalsContact C-N 3.32Å; I753-S755 PolarHBondContact O-N 3.39Å; S755-S759 PolarHBondContact O-N 3.22Å; S755-S759 PolarHBondContact O-OG 3.37Å |
| 756 | R | 81.5 | Confident | 82.6 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.6 | -33.4 | 178 | -163.8 | 169.6 | -175.9 | 169.2 | 1.2 | 112.7 | P665 L677 D752 I753 V754 S759 L760 | P665-R756 PolarHBondContact O-NH2 3.05Å; L677-R756 HydrophobicContact CD1-CG 4.01Å; D752-R756 PolarHBondContact O-N 3.39Å; D752-R756 VanDerWaalsContact O-N 3.1Å; I753-R756 PolarHBondContact O-N 3.32Å; V754-R756 VanDerWaalsContact C-N 3.28Å; V754-R756 PolarHBondContact O-N 3.42Å; R756-S759 WeakPolarHBondContact CA-OG 3.35Å; R756-S759 PolarHBondContact O-OG 3.5Å; R756-L760 HydrophobicContact CG-CD1 4.35Å; R756-L760 WeakPolarHBondContact O-CG 3.36Å; R756-L760 PolarHBondContact O-N 3.44Å |
| 757 | L | 82.2 | Confident | 82.4 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 172.6 | -84.5 | 168 | 0 | 0 | 0 | 111.6 | L674 L677 Q678 R681 I753 V754 S759 L760 V761 | L674-L757 HydrophobicContact CD2-CD2 4.21Å; L677-L757 HydrophobicContact CB-CD1 4.41Å; L677-L757 HydrophobicContact CB-CD2 3.52Å; L677-L757 HydrophobicContact CB-CG 3.81Å; L677-L757 HydrophobicContact CD1-CD2 4.41Å; Q678-L757 HydrophobicContact CG-CD1 4.31Å; Q678-L757 HydrophobicContact CG-CD2 3.88Å; R681-L757 HydrophobicContact CB-CD1 4.22Å; I753-L757 HydrophobicContact CG2-CD1 4.12Å; I753-L757 PolarHBondContact O-N 3.43Å; V754-L757 PolarHBondContact O-N 2.98Å; L757-S759 PolarHBondContact O-N 3.22Å; L757-L760 PolarHBondContact O-N 2.96Å; L757-V761 VanDerWaalsContact O-CG2 3.28Å; L757-V761 WeakPolarHBondContact O-CG2 3.36Å; L757-V761 PolarHBondContact O-N 3.45Å |
| 758 | E | 82.3 | Confident | 82.4 | Confident | 121 Ų | 121 | 70.3 Ų | 70.3 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.3 | -48.2 | 177.9 | -72.9 | 171.7 | 168.9 | 0 | 0 | 111.1 | V754 L760 V761 E762 | V754-E758 WeakPolarHBondContact O-CG 3.49Å; V754-E758 PolarHBondContact O-N 3.17Å; E758-L760 PolarHBondContact O-N 3.2Å; E758-V761 PolarHBondContact O-N 3.37Å; E758-E762 WeakPolarHBondContact O-CG 3.23Å; E758-E762 PolarHBondContact O-N 3.31Å |
| 759 | S | 78.2 | Confident | 82.3 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -33.3 | 179.1 | 49 | 0 | 0 | 0 | 0 | 115 | S755 R756 L757 | S755-S759 PolarHBondContact O-N 3.22Å; S755-S759 PolarHBondContact O-OG 3.37Å; R756-S759 WeakPolarHBondContact CA-OG 3.35Å; R756-S759 PolarHBondContact O-OG 3.5Å; L757-S759 PolarHBondContact O-N 3.22Å |
| 760 | L | 79.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -80.1 | -32.3 | 178.6 | -71.6 | 170.7 | 0 | 0 | 0 | 112.9 | V664 L670 T673 L674 L677 R756 L757 E758 E762 L763 | V664-L760 HydrophobicContact CG1-CD2 3.73Å; L670-L760 HydrophobicContact CD1-CB 4.28Å; L670-L760 HydrophobicContact CD1-CD2 4.02Å; T673-L760 HydrophobicContact CG2-CD1 3.8Å; L674-L760 HydrophobicContact CD2-CB 3.7Å; L674-L760 HydrophobicContact CG-CB 4.37Å; L677-L760 HydrophobicContact CD1-CD1 3.36Å; R756-L760 HydrophobicContact CG-CD1 4.35Å; R756-L760 WeakPolarHBondContact O-CG 3.36Å; R756-L760 PolarHBondContact O-N 3.44Å; L757-L760 PolarHBondContact O-N 2.96Å; E758-L760 PolarHBondContact O-N 3.2Å; L760-E762 PolarHBondContact O-N 3.07Å; L760-L763 HydrophobicContact CD2-CD1 4Å; L760-L763 WeakPolarHBondContact O-CB 3.35Å; L760-L763 PolarHBondContact O-N 2.97Å; L760-L763 VanDerWaalsContact O-N 3.12Å |
| 761 | V | 80 | Confident | 82.1 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 176.2 | 169.2 | 0 | 0 | 0 | 0 | 111 | L674 L757 E758 L763 R764 | L674-V761 HydrophobicContact CD2-CG2 3.69Å; L757-V761 VanDerWaalsContact O-CG2 3.28Å; L757-V761 WeakPolarHBondContact O-CG2 3.36Å; L757-V761 PolarHBondContact O-N 3.45Å; E758-V761 PolarHBondContact O-N 3.37Å; V761-L763 PolarHBondContact O-N 3.2Å; V761-R764 PolarHBondContact O-N 3.33Å |
| 762 | E | 79.3 | Confident | 82.2 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 67% | 0.673 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21 | 175.3 | -70.7 | 176.8 | -179.9 | 0 | 0 | 113.7 | E758 L760 P765 | E758-E762 WeakPolarHBondContact O-CG 3.23Å; E758-E762 PolarHBondContact O-N 3.31Å; L760-E762 PolarHBondContact O-N 3.07Å; E762-P765 WeakPolarHBondContact O-CD 3.29Å |
| 763 | L | 77.8 | Confident | 82.2 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -12.8 | -178.9 | -58.8 | 174.7 | 0 | 0 | 0 | 114.3 | V664 L670 L760 V761 I766 S767 | V664-L763 HydrophobicContact CB-CD1 3.57Å; V664-L763 HydrophobicContact CG1-CD1 3.83Å; V664-L763 HydrophobicContact CG2-CD1 3.73Å; V664-L763 HydrophobicContact CG2-CD2 4.1Å; V664-L763 HydrophobicContact CG2-CG 4.41Å; L670-L763 HydrophobicContact CD1-CB 4Å; L670-L763 HydrophobicContact CD1-CD1 4.2Å; L670-L763 HydrophobicContact CD2-CB 4.18Å; L760-L763 HydrophobicContact CD2-CD1 4Å; L760-L763 WeakPolarHBondContact O-CB 3.35Å; L760-L763 PolarHBondContact O-N 2.97Å; L760-L763 VanDerWaalsContact O-N 3.12Å; V761-L763 PolarHBondContact O-N 3.2Å; L763-I766 HydrophobicContact CD2-CD1 4.19Å; L763-I766 WeakPolarHBondContact O-CB 3.25Å; L763-I766 PolarHBondContact O-N 3.38Å; L763-S767 PolarHBondContact O-N 3.05Å; L763-S767 VanDerWaalsContact O-N 3.1Å |
| 764 | R | 78.7 | Confident | 82.1 | Confident | 123 Ų | 123 | 69.4 Ų | 69.4 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | -176.6 | -159.3 | 179.3 | -167.9 | -165.9 | 1.2 | 113.6 | L670 E671 V761 I766 S767 L768 | L670-R764 HydrophobicContact CD2-CB 4.22Å; L670-R764 HydrophobicContact CD2-CG 4.49Å; E671-R764 IonicContact OE1-CZ 2.99Å; E671-R764 IonicContact OE1-NE 2.66Å; E671-R764 IonicContact OE1-NH2 2.74Å; E671-R764 PolarHBondContact OE1-NH2 2.77Å; E671-R764 IonicContact OE2-CZ 2.82Å; E671-R764 IonicContact OE2-NE 3.78Å; E671-R764 PolarHBondContact OE2-NE 2.98Å; E671-R764 IonicContact OE2-NH2 3.9Å; V761-R764 PolarHBondContact O-N 3.33Å; R764-I766 VanDerWaalsContact C-N 3.32Å; R764-I766 PolarHBondContact O-N 3.45Å; R764-S767 PolarHBondContact O-N 3.29Å; R764-L768 PolarHBondContact O-N 2.93Å |
| 765 | P | 82.3 | Confident | 82.2 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 175.8 | -20.4 | 33.5 | 0 | 0 | 0 | 112.7 | E762 L768 E769 | E762-P765 WeakPolarHBondContact O-CD 3.29Å; P765-L768 PolarHBondContact O-N 3.19Å; P765-E769 PolarHBondContact O-N 3.37Å; P765-E769 VanDerWaalsContact O-N 3.09Å |
| 766 | I | 81.7 | Confident | 82.3 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 16% | 0.159 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | -179.8 | -61.8 | 174.1 | 0 | 0 | 0 | 110.4 | L657 K660 L763 R764 L768 E769 I770 | L657-I766 HydrophobicContact CB-CG2 4.16Å; L657-I766 HydrophobicContact CD2-CG2 3.99Å; K660-I766 HydrophobicContact CB-CD1 4.18Å; K660-I766 HydrophobicContact CB-CG2 4.35Å; K660-I766 HydrophobicContact CD-CD1 4.11Å; L763-I766 HydrophobicContact CD2-CD1 4.19Å; L763-I766 WeakPolarHBondContact O-CB 3.25Å; L763-I766 PolarHBondContact O-N 3.38Å; R764-I766 VanDerWaalsContact C-N 3.32Å; R764-I766 PolarHBondContact O-N 3.45Å; I766-L768 PolarHBondContact O-N 3.13Å; I766-E769 PolarHBondContact O-N 3.01Å; I766-I770 HydrophobicContact CG2-CD1 4.06Å; I766-I770 WeakPolarHBondContact O-CG1 3.31Å; I766-I770 PolarHBondContact O-N 3.43Å |
| 767 | S | 79.8 | Confident | 82.4 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | L763 R764 K771 | L763-S767 PolarHBondContact O-N 3.05Å; L763-S767 VanDerWaalsContact O-N 3.1Å; R764-S767 PolarHBondContact O-N 3.29Å; S767-K771 PolarHBondContact O-N 2.78Å; S767-K771 VanDerWaalsContact O-N 3.13Å |
| 768 | L | 83 | Confident | 82.7 | Confident | 116 Ų | 116 | 73.4 Ų | 73.4 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.5 | -40 | 175.4 | -84.6 | 151.3 | 0 | 0 | 0 | 112.1 | R764 P765 I766 K771 N772 | R764-L768 PolarHBondContact O-N 2.93Å; P765-L768 PolarHBondContact O-N 3.19Å; I766-L768 PolarHBondContact O-N 3.13Å; L768-K771 PolarHBondContact O-N 3.49Å; L768-N772 PolarHBondContact O-N 3.23Å |
| 769 | E | 83.8 | Confident | 83.1 | Confident | 93 Ų | 93 | 69.9 Ų | 69.9 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 178.6 | -167.1 | 170.4 | -168.2 | 0 | 0 | 112.4 | L657 P765 I766 N772 L773 | L657-E769 HydrophobicContact CD1-CB 4.12Å; L657-E769 HydrophobicContact CD1-CG 3.68Å; P765-E769 PolarHBondContact O-N 3.37Å; P765-E769 VanDerWaalsContact O-N 3.09Å; I766-E769 PolarHBondContact O-N 3.01Å; E769-N772 PolarHBondContact O-N 2.83Å; E769-L773 HydrophobicContact CG-CD1 4.3Å; E769-L773 WeakPolarHBondContact O-CB 3.41Å; E769-L773 WeakPolarHBondContact O-CG 3.3Å; E769-L773 PolarHBondContact O-N 2.91Å |
| 770 | I | 84.5 | Confident | 83.5 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 171.9 | -69 | 167.6 | 0 | 0 | 0 | 110.5 | L654 L657 E658 L661 I766 N772 L773 H774 | L654-I770 HydrophobicContact CD1-CB 4.44Å; L654-I770 HydrophobicContact CD1-CG2 3.9Å; L657-I770 HydrophobicContact CB-CD1 4Å; L657-I770 HydrophobicContact CB-CG1 3.54Å; E658-I770 HydrophobicContact CG-CD1 4.41Å; E658-I770 HydrophobicContact CG-CG2 4.36Å; L661-I770 HydrophobicContact CB-CD1 4.05Å; L661-I770 HydrophobicContact CD2-CD1 4.03Å; I766-I770 HydrophobicContact CG2-CD1 4.06Å; I766-I770 WeakPolarHBondContact O-CG1 3.31Å; I766-I770 PolarHBondContact O-N 3.43Å; I770-N772 VanDerWaalsContact C-N 3.33Å; I770-N772 PolarHBondContact O-N 3.46Å; I770-L773 PolarHBondContact O-N 3.39Å; I770-H774 VanDerWaalsContact O-CB 3.22Å; I770-H774 WeakPolarHBondContact O-CB 3.45Å; I770-H774 PolarHBondContact O-N 3.4Å |
| 771 | K | 83.5 | Confident | 84 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58 | -45 | 177.1 | -78.3 | -176.1 | 176.8 | 179.4 | 0 | 111.9 | S767 L768 H774 E775 | S767-K771 PolarHBondContact O-N 2.78Å; S767-K771 VanDerWaalsContact O-N 3.13Å; L768-K771 PolarHBondContact O-N 3.49Å; K771-H774 PolarHBondContact O-N 2.95Å; K771-E775 VanDerWaalsContact O-CB 3.27Å; K771-E775 WeakPolarHBondContact O-CB 3.49Å; K771-E775 WeakPolarHBondContact O-CG 3.46Å; K771-E775 PolarHBondContact O-N 3.31Å |
| 772 | N | 88.3 | Confident | 84.4 | Confident | 67 Ų | 67 | 70.1 Ų | 70.1 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 177.5 | -174.8 | 16.6 | 0 | 0 | 0 | 112.6 | L768 E769 I770 E776 I777 | L768-N772 PolarHBondContact O-N 3.23Å; E769-N772 PolarHBondContact O-N 2.83Å; I770-N772 VanDerWaalsContact C-N 3.33Å; I770-N772 PolarHBondContact O-N 3.46Å; N772-E776 WeakPolarHBondContact O-CB 3.46Å; N772-E776 PolarHBondContact O-N 2.95Å; N772-E776 PolarHBondContact OD1-OE2 3.45Å; N772-I777 PolarHBondContact O-N 2.92Å; N772-I777 VanDerWaalsContact O-N 3.11Å |
| 773 | L | 87.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -63 | -43.3 | 177 | -74.8 | 168.6 | 0 | 0 | 0 | 112.1 | K650 Q653 L654 L657 E769 I770 I777 I778 | K650-L773 HydrophobicContact CB-CD2 4.35Å; K650-L773 HydrophobicContact CD-CD2 3.8Å; Q653-L773 HydrophobicContact CB-CD1 4.23Å; L654-L773 HydrophobicContact CB-CD1 4.41Å; L654-L773 HydrophobicContact CD1-CB 4.01Å; L657-L773 HydrophobicContact CD1-CD1 3.49Å; L657-L773 VanDerWaalsContact CD1-CD1 3.49Å; E769-L773 HydrophobicContact CG-CD1 4.3Å; E769-L773 WeakPolarHBondContact O-CB 3.41Å; E769-L773 WeakPolarHBondContact O-CG 3.3Å; E769-L773 PolarHBondContact O-N 2.91Å; I770-L773 PolarHBondContact O-N 3.39Å; L773-I777 HydrophobicContact CD2-CB 4.37Å; L773-I777 HydrophobicContact CD2-CD1 3.9Å; L773-I777 HydrophobicContact CD2-CG2 4.42Å; L773-I778 WeakPolarHBondContact O-CB 3.32Å; L773-I778 WeakPolarHBondContact O-CG1 3.44Å; L773-I778 PolarHBondContact O-N 3.2Å |
| 774 | H | 82.6 | Confident | 85.4 | Confident | 113 Ų | 113 | 74.5 Ų | 74.5 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -75.6 | -43.7 | -175.6 | -164 | 91.9 | 0 | 0 | 0 | 113 | L654 I770 K771 P779 | L654-H774 HydrophobicContact CD1-CB 4.43Å; I770-H774 VanDerWaalsContact O-CB 3.22Å; I770-H774 WeakPolarHBondContact O-CB 3.45Å; I770-H774 PolarHBondContact O-N 3.4Å; K771-H774 PolarHBondContact O-N 2.95Å; H774-P779 WeakPolarHBondContact O-CD 3.5Å; H774-P779 WeakPolarHBondContact O-CG 3.32Å |
| 775 | E | 85.7 | Confident | 85.9 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 65% | 0.65 | 35% | 0.354 | S | S | * | . | I | π-helix | trans | -91.2 | -29.5 | -172.8 | -62.8 | -179 | 178.9 | 0 | 0 | 113.4 | K771 | K771-E775 VanDerWaalsContact O-CB 3.27Å; K771-E775 WeakPolarHBondContact O-CB 3.49Å; K771-E775 WeakPolarHBondContact O-CG 3.46Å; K771-E775 PolarHBondContact O-N 3.31Å |
| 776 | E | 85.5 | Confident | 86.2 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -115 | -58.4 | -175.2 | -61.9 | -166.7 | 169 | 0 | 0 | 113.8 | N772 A780 | N772-E776 WeakPolarHBondContact O-CB 3.46Å; N772-E776 PolarHBondContact O-N 2.95Å; N772-E776 PolarHBondContact OD1-OE2 3.45Å; E776-A780 WeakPolarHBondContact O-CB 3.44Å; E776-A780 PolarHBondContact O-N 3.01Å |
| 777 | I | 85.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -73.4 | -49.6 | -164 | -61.7 | 171 | 0 | 0 | 0 | 112.4 | K650 N772 L773 A780 L781 | K650-I777 HydrophobicContact CD-CG2 4.15Å; K650-I777 HydrophobicContact CG-CG2 3.92Å; N772-I777 PolarHBondContact O-N 2.92Å; N772-I777 VanDerWaalsContact O-N 3.11Å; L773-I777 HydrophobicContact CD2-CB 4.37Å; L773-I777 HydrophobicContact CD2-CD1 3.9Å; L773-I777 HydrophobicContact CD2-CG2 4.42Å; I777-A780 PolarHBondContact O-N 2.61Å; I777-L781 HydrophobicContact CG2-CD1 4.01Å; I777-L781 WeakPolarHBondContact O-CG 3.47Å; I777-L781 PolarHBondContact O-N 2.91Å; I777-L781 VanDerWaalsContact O-N 3.1Å |
| 778 | I | 88.5 | Confident | 86.9 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.4 | -50.4 | -178.1 | -72 | 168.4 | 0 | 0 | 0 | 111.4 | L647 K650 R651 L654 L773 A780 L781 E782 | L647-I778 HydrophobicContact CD1-CB 4.49Å; L647-I778 HydrophobicContact CD1-CG1 4.48Å; L647-I778 HydrophobicContact CD1-CG2 3.98Å; K650-I778 HydrophobicContact CB-CG1 4.24Å; R651-I778 HydrophobicContact CG-CD1 4.13Å; L654-I778 HydrophobicContact CB-CD1 4.13Å; L654-I778 HydrophobicContact CD2-CD1 3.7Å; L654-I778 HydrophobicContact CG-CD1 4.47Å; L773-I778 WeakPolarHBondContact O-CB 3.32Å; L773-I778 WeakPolarHBondContact O-CG1 3.44Å; L773-I778 PolarHBondContact O-N 3.2Å; I778-A780 VanDerWaalsContact C-N 3.28Å; I778-A780 PolarHBondContact O-N 3.31Å; I778-L781 PolarHBondContact O-N 2.79Å; I778-L781 VanDerWaalsContact O-N 3.16Å; I778-E782 HydrophobicContact CG2-CG 4.37Å; I778-E782 WeakPolarHBondContact O-CG 3.29Å; I778-E782 PolarHBondContact O-N 3.2Å |
| 779 | P | 89.3 | Confident | 87.1 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 31% | 0.312 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58 | -37.9 | 176.9 | -26.1 | 35.6 | 0 | 0 | 0 | 113.3 | H774 E782 L783 | H774-P779 WeakPolarHBondContact O-CD 3.5Å; H774-P779 WeakPolarHBondContact O-CG 3.32Å; P779-E782 PolarHBondContact O-N 3.05Å; P779-L783 WeakPolarHBondContact O-CG 3.45Å; P779-L783 PolarHBondContact O-N 3.47Å |
| 780 | A | 88 | Confident | 87.4 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E776 I777 I778 K784 | E776-A780 WeakPolarHBondContact O-CB 3.44Å; E776-A780 PolarHBondContact O-N 3.01Å; I777-A780 PolarHBondContact O-N 2.61Å; I778-A780 VanDerWaalsContact C-N 3.28Å; I778-A780 PolarHBondContact O-N 3.31Å; A780-K784 WeakPolarHBondContact O-CG 3.28Å; A780-K784 PolarHBondContact O-N 3.13Å; A780-K784 VanDerWaalsContact O-N 3.14Å |
| 781 | L | 88.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 175.6 | -73 | 169.1 | 0 | 0 | 0 | 111.9 | H646 L647 K650 I777 I778 L783 K784 I785 | H646-L781 WeakPolarHBondContact ND1-CD1 3.39Å; H646-L781 WeakPolarHBondContact ND1-CD2 3.47Å; L647-L781 HydrophobicContact CB-CB 4.43Å; L647-L781 HydrophobicContact CD1-CB 4.02Å; K650-L781 HydrophobicContact CB-CD1 4.34Å; K650-L781 HydrophobicContact CG-CD1 3.9Å; I777-L781 HydrophobicContact CG2-CD1 4.01Å; I777-L781 WeakPolarHBondContact O-CG 3.47Å; I777-L781 PolarHBondContact O-N 2.91Å; I777-L781 VanDerWaalsContact O-N 3.1Å; I778-L781 PolarHBondContact O-N 2.79Å; I778-L781 VanDerWaalsContact O-N 3.16Å; L781-L783 PolarHBondContact O-N 3.21Å; L781-K784 PolarHBondContact O-N 3.4Å; L781-I785 WeakPolarHBondContact O-CD1 2.76Å; L781-I785 VanDerWaalsContact O-CG1 3.29Å; L781-I785 WeakPolarHBondContact O-CG1 3.45Å; L781-I785 PolarHBondContact O-N 2.88Å |
| 782 | E | 88.8 | Confident | 87.9 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.1 | -72.1 | 179.1 | 169.3 | 0 | 0 | 112.1 | L647 R651 I778 P779 I785 K786 | L647-E782 HydrophobicContact CD1-CG 3.95Å; L647-E782 HydrophobicContact CD2-CG 3.96Å; R651-E782 IonicContact CZ-OE1 2.98Å; R651-E782 IonicContact NE-OE1 3.05Å; R651-E782 IonicContact NH2-OE1 3.53Å; R651-E782 PolarHBondContact NH2-OE1 2.9Å; I778-E782 HydrophobicContact CG2-CG 4.37Å; I778-E782 WeakPolarHBondContact O-CG 3.29Å; I778-E782 PolarHBondContact O-N 3.2Å; P779-E782 PolarHBondContact O-N 3.05Å; E782-I785 PolarHBondContact O-N 3.15Å; E782-K786 WeakPolarHBondContact O-CB 3.26Å; E782-K786 PolarHBondContact O-N 3.29Å |
| 783 | L | 89.2 | Confident | 87.9 | Confident | 124 Ų | 124 | 70.5 Ų | 70.5 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 174.7 | -79.2 | 169 | 0 | 0 | 0 | 112.4 | P779 L781 K786 A787 | P779-L783 WeakPolarHBondContact O-CG 3.45Å; P779-L783 PolarHBondContact O-N 3.47Å; L781-L783 PolarHBondContact O-N 3.21Å; L783-K786 PolarHBondContact O-N 2.98Å; L783-A787 PolarHBondContact O-N 3.29Å |
| 784 | K | 88.3 | Confident | 88 | Confident | 123 Ų | 123 | 75.2 Ų | 75.2 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.1 | -77.8 | 177.3 | -179 | 176.9 | 0 | 111.9 | A780 L781 K786 A787 E788 | A780-K784 WeakPolarHBondContact O-CG 3.28Å; A780-K784 PolarHBondContact O-N 3.13Å; A780-K784 VanDerWaalsContact O-N 3.14Å; L781-K784 PolarHBondContact O-N 3.4Å; K784-K786 VanDerWaalsContact C-N 3.31Å; K784-K786 PolarHBondContact O-N 3.29Å; K784-A787 PolarHBondContact O-N 2.87Å; K784-E788 WeakPolarHBondContact O-CG 3.41Å; K784-E788 PolarHBondContact O-N 2.93Å |
| 785 | I | 88.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 178.9 | -69.3 | 162.3 | 0 | 0 | 0 | 110.8 | N643 R644 L647 L781 E782 E788 L789 | N643-I785 HydrophobicContact CB-CD1 4.2Å; N643-I785 HydrophobicContact CB-CG1 3.65Å; R644-I785 HydrophobicContact CG-CD1 4.25Å; R644-I785 HydrophobicContact CG-CG2 4.33Å; L647-I785 HydrophobicContact CB-CD1 3.85Å; L647-I785 HydrophobicContact CD2-CD1 3.61Å; L647-I785 HydrophobicContact CG-CD1 4.33Å; L781-I785 WeakPolarHBondContact O-CD1 2.76Å; L781-I785 VanDerWaalsContact O-CG1 3.29Å; L781-I785 WeakPolarHBondContact O-CG1 3.45Å; L781-I785 PolarHBondContact O-N 2.88Å; E782-I785 PolarHBondContact O-N 3.15Å; I785-E788 PolarHBondContact O-N 3.17Å; I785-L789 HydrophobicContact CG2-CD1 3.89Å; I785-L789 HydrophobicContact CG2-CG 4.42Å; I785-L789 WeakPolarHBondContact O-CB 3.18Å; I785-L789 WeakPolarHBondContact O-CG 3.5Å; I785-L789 PolarHBondContact O-N 2.92Å |
| 786 | K | 88.9 | Confident | 88.6 | Confident | 136 Ų | 136 | 68.9 Ų | 68.9 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.8 | -47.8 | 177.1 | -170.6 | 176.9 | -179.9 | 179.9 | 0 | 111.7 | E782 L783 K784 E788 L789 D790 | E782-K786 WeakPolarHBondContact O-CB 3.26Å; E782-K786 PolarHBondContact O-N 3.29Å; L783-K786 PolarHBondContact O-N 2.98Å; K784-K786 VanDerWaalsContact C-N 3.31Å; K784-K786 PolarHBondContact O-N 3.29Å; K786-E788 VanDerWaalsContact C-N 3.31Å; K786-E788 PolarHBondContact O-N 2.95Å; K786-L789 PolarHBondContact O-N 2.83Å; K786-D790 PolarHBondContact O-N 3.32Å |
| 787 | A | 89.3 | Confident | 88.9 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L783 K784 K791 | L783-A787 PolarHBondContact O-N 3.29Å; K784-A787 PolarHBondContact O-N 2.87Å; A787-K791 WeakPolarHBondContact O-CG 3.41Å; A787-K791 PolarHBondContact O-N 3.12Å |
| 788 | E | 88.5 | Confident | 89.2 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 174.3 | -73.7 | 174 | 171.5 | 0 | 0 | 112.3 | T639 S640 N643 K784 I785 K786 K791 L792 | T639-E788 WeakPolarHBondContact CG2-OE1 3.27Å; S640-E788 WeakPolarHBondContact CA-OE2 3.39Å; N643-E788 PolarHBondContact ND2-OE1 3.45Å; N643-E788 PolarHBondContact ND2-OE2 2.64Å; K784-E788 WeakPolarHBondContact O-CG 3.41Å; K784-E788 PolarHBondContact O-N 2.93Å; I785-E788 PolarHBondContact O-N 3.17Å; K786-E788 VanDerWaalsContact C-N 3.31Å; K786-E788 PolarHBondContact O-N 2.95Å; E788-K791 PolarHBondContact O-N 3.38Å; E788-L792 VanDerWaalsContact O-CB 3.23Å; E788-L792 WeakPolarHBondContact O-CB 2.93Å; E788-L792 PolarHBondContact O-N 3.43Å |
| 789 | L | 87 | Confident | 89.3 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 177 | -78.1 | 170.2 | 0 | 0 | 0 | 112.6 | I785 K786 L792 T793 | I785-L789 HydrophobicContact CG2-CD1 3.89Å; I785-L789 HydrophobicContact CG2-CG 4.42Å; I785-L789 WeakPolarHBondContact O-CB 3.18Å; I785-L789 WeakPolarHBondContact O-CG 3.5Å; I785-L789 PolarHBondContact O-N 2.92Å; K786-L789 PolarHBondContact O-N 2.83Å; L789-L792 WeakPolarHBondContact O-CB 3.49Å; L789-L792 PolarHBondContact O-N 3.03Å; L789-T793 PolarHBondContact O-N 3.41Å; L789-T793 PolarHBondContact O-OG1 3.5Å |
| 790 | D | 88.7 | Confident | 89.3 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.3 | -67.1 | -21.2 | 0 | 0 | 0 | 111 | K786 L792 T793 D794 | K786-D790 PolarHBondContact O-N 3.32Å; D790-L792 VanDerWaalsContact C-N 3.3Å; D790-L792 PolarHBondContact O-N 3.32Å; D790-T793 WeakPolarHBondContact CA-OG1 3.2Å; D790-T793 PolarHBondContact O-N 3.1Å; D790-T793 PolarHBondContact O-OG1 3.49Å; D790-D794 PolarHBondContact O-N 3.49Å; D790-D794 VanDerWaalsContact O-N 3.15Å |
| 791 | K | 89.1 | Confident | 89.4 | Confident | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.548 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 173.6 | -72.2 | 177.4 | -178.8 | -179.9 | 0 | 112.4 | L636 A787 E788 T793 D794 V795 | L636-K791 HydrophobicContact CD1-CB 4.11Å; A787-K791 WeakPolarHBondContact O-CG 3.41Å; A787-K791 PolarHBondContact O-N 3.12Å; E788-K791 PolarHBondContact O-N 3.38Å; K791-T793 VanDerWaalsContact C-N 3.3Å; K791-T793 PolarHBondContact O-N 3.22Å; K791-D794 PolarHBondContact O-N 3.41Å; K791-V795 WeakPolarHBondContact O-CG2 3.48Å; K791-V795 PolarHBondContact O-N 2.91Å |
| 792 | L | 89.5 | Confident | 89.5 | Confident | 8 Ų | 8 | 77.4 Ų | 77.4 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.5 | -32.6 | -179.5 | -168 | 152.1 | 0 | 0 | 0 | 111.4 | L636 E637 E788 L789 D790 R796 | L636-L792 HydrophobicContact CB-CD1 4.2Å; E637-L792 HydrophobicContact CB-CD1 4.39Å; E637-L792 HydrophobicContact CG-CD1 3.53Å; E637-L792 HydrophobicContact CG-CG 4.31Å; E788-L792 VanDerWaalsContact O-CB 3.23Å; E788-L792 WeakPolarHBondContact O-CB 2.93Å; E788-L792 PolarHBondContact O-N 3.43Å; L789-L792 WeakPolarHBondContact O-CB 3.49Å; L789-L792 PolarHBondContact O-N 3.03Å; D790-L792 VanDerWaalsContact C-N 3.3Å; D790-L792 PolarHBondContact O-N 3.32Å; L792-R796 HydrophobicContact CD2-CG 4.49Å; L792-R796 WeakPolarHBondContact O-CB 3.31Å; L792-R796 VanDerWaalsContact O-CG 3.23Å; L792-R796 WeakPolarHBondContact O-CG 3.32Å; L792-R796 PolarHBondContact O-N 3.39Å; L792-R796 VanDerWaalsContact O-N 3.09Å |
| 793 | T | 88.9 | Confident | 89.5 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 169.8 | 45.9 | 0 | 0 | 0 | 0 | 113 | L789 D790 K791 R796 S797 | L789-T793 PolarHBondContact O-N 3.41Å; L789-T793 PolarHBondContact O-OG1 3.5Å; D790-T793 WeakPolarHBondContact CA-OG1 3.2Å; D790-T793 PolarHBondContact O-N 3.1Å; D790-T793 PolarHBondContact O-OG1 3.49Å; K791-T793 VanDerWaalsContact C-N 3.3Å; K791-T793 PolarHBondContact O-N 3.22Å; T793-R796 PolarHBondContact O-N 3.33Å; T793-S797 PolarHBondContact O-N 3.12Å |
| 794 | D | 90.3 | Very high | 89.6 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.9 | -73.5 | -20 | 0 | 0 | 0 | 112 | D790 K791 R796 S797 Q798 | D790-D794 PolarHBondContact O-N 3.49Å; D790-D794 VanDerWaalsContact O-N 3.15Å; K791-D794 PolarHBondContact O-N 3.41Å; D794-R796 VanDerWaalsContact C-N 3.31Å; D794-R796 PolarHBondContact O-N 3.18Å; D794-S797 WeakPolarHBondContact O-CB 3.42Å; D794-S797 PolarHBondContact O-N 3.26Å; D794-Q798 WeakPolarHBondContact O-CG 3.24Å; D794-Q798 PolarHBondContact O-N 2.98Å |
| 795 | V | 91.1 | Very high | 89.7 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | I629 E632 R633 L636 K791 Q798 R799 | I629-V795 HydrophobicContact CG2-CG1 3.79Å; E632-V795 HydrophobicContact CG-CG2 4.16Å; R633-V795 HydrophobicContact CB-CG1 3.78Å; R633-V795 HydrophobicContact CG-CG1 4.35Å; L636-V795 HydrophobicContact CD1-CG2 4.02Å; K791-V795 WeakPolarHBondContact O-CG2 3.48Å; K791-V795 PolarHBondContact O-N 2.91Å; V795-Q798 PolarHBondContact O-N 3.29Å; V795-R799 PolarHBondContact O-N 3.41Å |
| 796 | R | 89.5 | Confident | 89.8 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 173.4 | -77.3 | 174.9 | 177.6 | -177.7 | 0.6 | 112.1 | E637 L792 T793 D794 Q798 R799 D800 | E637-R796 IonicContact OE1-CZ 3.68Å; E637-R796 IonicContact OE1-NE 3.03Å; E637-R796 IonicContact OE1-NH2 2.99Å; E637-R796 PolarHBondContact OE1-NH2 3.32Å; L792-R796 HydrophobicContact CD2-CG 4.49Å; L792-R796 WeakPolarHBondContact O-CB 3.31Å; L792-R796 VanDerWaalsContact O-CG 3.23Å; L792-R796 WeakPolarHBondContact O-CG 3.32Å; L792-R796 PolarHBondContact O-N 3.39Å; L792-R796 VanDerWaalsContact O-N 3.09Å; T793-R796 PolarHBondContact O-N 3.33Å; D794-R796 VanDerWaalsContact C-N 3.31Å; D794-R796 PolarHBondContact O-N 3.18Å; R796-Q798 VanDerWaalsContact C-N 3.34Å; R796-Q798 PolarHBondContact O-N 3.39Å; R796-R799 WeakPolarHBondContact O-CB 3.22Å; R796-R799 PolarHBondContact O-N 3.34Å; R796-D800 VanDerWaalsContact O-CG 3.29Å; R796-D800 PolarHBondContact O-N 2.95Å; R796-D800 VanDerWaalsContact O-N 3.07Å |
| 797 | S | 90.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 69 Ų | 69 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | T793 D794 D800 K801 | T793-S797 PolarHBondContact O-N 3.12Å; D794-S797 WeakPolarHBondContact O-CB 3.42Å; D794-S797 PolarHBondContact O-N 3.26Å; S797-D800 PolarHBondContact O-N 3.46Å; S797-K801 WeakPolarHBondContact O-CG 3.38Å; S797-K801 PolarHBondContact O-N 3.01Å; S797-K801 VanDerWaalsContact O-N 3.16Å |
| 798 | Q | 91.2 | Very high | 89.8 | Confident | 97 Ų | 97 | 70 Ų | 70 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 176.1 | -70.1 | -179.6 | 6.7 | 0 | 0 | 112.3 | I629 D794 V795 R796 K801 T802 | I629-Q798 HydrophobicContact CD1-CB 4.16Å; D794-Q798 WeakPolarHBondContact O-CG 3.24Å; D794-Q798 PolarHBondContact O-N 2.98Å; V795-Q798 PolarHBondContact O-N 3.29Å; R796-Q798 VanDerWaalsContact C-N 3.34Å; R796-Q798 PolarHBondContact O-N 3.39Å; Q798-K801 PolarHBondContact O-N 3.3Å; Q798-T802 WeakPolarHBondContact O-CB 3.44Å; Q798-T802 PolarHBondContact O-N 3.12Å; Q798-T802 PolarHBondContact O-OG1 2.91Å |
| 799 | R | 92.1 | Very high | 89.9 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 32% | 0.321 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 173.7 | -176 | -152.8 | 68 | 163.4 | -4.4 | 110.8 | L626 I629 V795 R796 K801 T802 S803 | L626-R799 HydrophobicContact CD1-CG 3.67Å; I629-R799 HydrophobicContact CG2-CB 3.83Å; V795-R799 PolarHBondContact O-N 3.41Å; R796-R799 WeakPolarHBondContact O-CB 3.22Å; R796-R799 PolarHBondContact O-N 3.34Å; R799-K801 PolarHBondContact O-N 3.49Å; R799-T802 PolarHBondContact O-N 3.12Å; R799-S803 WeakPolarHBondContact O-CB 3.48Å; R799-S803 PolarHBondContact O-N 3.01Å |
| 800 | D | 88.6 | Confident | 90 | Very high | 78 Ų | 78 | 72 Ų | 72 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | -176.1 | -65.4 | -10.6 | 0 | 0 | 0 | 111.6 | R796 S797 T802 S803 A804 | R796-D800 VanDerWaalsContact O-CG 3.29Å; R796-D800 PolarHBondContact O-N 2.95Å; R796-D800 VanDerWaalsContact O-N 3.07Å; S797-D800 PolarHBondContact O-N 3.46Å; D800-T802 PolarHBondContact O-N 3.47Å; D800-S803 PolarHBondContact O-N 3.23Å; D800-A804 WeakPolarHBondContact O-CB 3.2Å; D800-A804 PolarHBondContact O-N 3.13Å |
| 801 | K | 90.7 | Very high | 90 | Very high | 146 Ų | 146 | 69.9 Ų | 69.9 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 174.5 | -69.4 | 173.8 | -175.7 | 174.2 | 0 | 112.3 | S797 Q798 R799 L805 | S797-K801 WeakPolarHBondContact O-CG 3.38Å; S797-K801 PolarHBondContact O-N 3.01Å; S797-K801 VanDerWaalsContact O-N 3.16Å; Q798-K801 PolarHBondContact O-N 3.3Å; R799-K801 PolarHBondContact O-N 3.49Å; K801-L805 PolarHBondContact O-N 3.44Å; K801-L805 VanDerWaalsContact O-N 3.11Å |
| 802 | T | 90.2 | Very high | 90 | Very high | 19 Ų | 19 | 65.1 Ų | 65.1 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.9 | -35.8 | -179.3 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | T622 Q625 L626 Q798 R799 D800 L806 | T622-T802 HydrophobicContact CG2-CG2 3.69Å; T622-T802 WeakPolarHBondContact CG2-O 3.19Å; Q625-T802 HydrophobicContact CB-CG2 4.19Å; L626-T802 HydrophobicContact CB-CG2 4.08Å; L626-T802 HydrophobicContact CD1-CG2 4.35Å; Q798-T802 WeakPolarHBondContact O-CB 3.44Å; Q798-T802 PolarHBondContact O-N 3.12Å; Q798-T802 PolarHBondContact O-OG1 2.91Å; R799-T802 PolarHBondContact O-N 3.12Å; D800-T802 PolarHBondContact O-N 3.47Å; T802-L806 WeakPolarHBondContact O-CB 3.4Å; T802-L806 PolarHBondContact O-N 3.5Å |
| 803 | S | 90 | Very high | 89.9 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 175.1 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | R799 D800 L805 L806 E807 | R799-S803 WeakPolarHBondContact O-CB 3.48Å; R799-S803 PolarHBondContact O-N 3.01Å; D800-S803 PolarHBondContact O-N 3.23Å; S803-L805 VanDerWaalsContact C-N 3.32Å; S803-L805 PolarHBondContact O-N 3.32Å; S803-L806 WeakPolarHBondContact O-CB 3.21Å; S803-L806 PolarHBondContact O-N 3.31Å; S803-L806 VanDerWaalsContact O-N 3.14Å; S803-E807 WeakPolarHBondContact O-CG 3.2Å; S803-E807 PolarHBondContact O-N 3.18Å |
| 804 | A | 89.8 | Confident | 89.9 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D800 L806 E807 T808 | D800-A804 WeakPolarHBondContact O-CB 3.2Å; D800-A804 PolarHBondContact O-N 3.13Å; A804-L806 VanDerWaalsContact C-N 3.35Å; A804-L806 PolarHBondContact O-N 3.07Å; A804-E807 PolarHBondContact O-N 3.27Å; A804-T808 WeakPolarHBondContact O-CG2 3.25Å; A804-T808 PolarHBondContact O-N 3.21Å; A804-T808 VanDerWaalsContact O-N 3.13Å |
| 805 | L | 90.8 | Very high | 89.8 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.7 | -174.6 | 65.2 | 0 | 0 | 0 | 111.7 | T622 K801 S803 E807 T808 Y809 | T622-L805 HydrophobicContact CG2-CB 4.42Å; T622-L805 HydrophobicContact CG2-CD2 4.27Å; T622-L805 HydrophobicContact CG2-CG 4.39Å; K801-L805 PolarHBondContact O-N 3.44Å; K801-L805 VanDerWaalsContact O-N 3.11Å; S803-L805 VanDerWaalsContact C-N 3.32Å; S803-L805 PolarHBondContact O-N 3.32Å; L805-E807 PolarHBondContact O-N 3.36Å; L805-T808 PolarHBondContact O-N 3.46Å; L805-T808 PolarHBondContact O-OG1 2.82Å; L805-Y809 HydrophobicContact CD1-CD2 4.5Å; L805-Y809 HydrophobicContact CD1-CE1 4.38Å; L805-Y809 HydrophobicContact CD1-CE2 3.88Å; L805-Y809 HydrophobicContact CD2-CE2 3.94Å; L805-Y809 HydrophobicContact CG-CD2 4.11Å; L805-Y809 HydrophobicContact CG-CE2 3.63Å; L805-Y809 PolarHBondContact O-N 3.05Å; L805-Y809 VanDerWaalsContact O-N 3.07Å |
| 806 | L | 91.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.8 | 179.9 | 60 | 0 | 0 | 0 | 112.2 | T619 T622 R623 L626 T802 S803 A804 T808 Y809 Q810 | T619-L806 HydrophobicContact CG2-CD1 3.82Å; T622-L806 HydrophobicContact CG2-CB 3.88Å; T622-L806 HydrophobicContact CG2-CD1 4.49Å; R623-L806 HydrophobicContact CG-CD1 3.64Å; R623-L806 HydrophobicContact CG-CD2 3.65Å; R623-L806 HydrophobicContact CG-CG 4.31Å; L626-L806 HydrophobicContact CD2-CD2 4.01Å; T802-L806 WeakPolarHBondContact O-CB 3.4Å; T802-L806 PolarHBondContact O-N 3.5Å; S803-L806 WeakPolarHBondContact O-CB 3.21Å; S803-L806 PolarHBondContact O-N 3.31Å; S803-L806 VanDerWaalsContact O-N 3.14Å; A804-L806 VanDerWaalsContact C-N 3.35Å; A804-L806 PolarHBondContact O-N 3.07Å; L806-T808 VanDerWaalsContact C-N 3.31Å; L806-T808 PolarHBondContact O-N 3.49Å; L806-Y809 PolarHBondContact O-N 3.36Å; L806-Q810 HydrophobicContact CD1-CG 4.06Å; L806-Q810 HydrophobicContact CG-CG 4.34Å; L806-Q810 WeakPolarHBondContact O-CB 3.45Å; L806-Q810 VanDerWaalsContact O-CG 3.27Å; L806-Q810 WeakPolarHBondContact O-CG 3.36Å; L806-Q810 PolarHBondContact O-N 2.67Å |
| 807 | E | 88.9 | Confident | 89.6 | Confident | 126 Ų | 126 | 61.3 Ų | 61.3 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 175 | -74.8 | 170.6 | -163.8 | 0 | 0 | 111.3 | S803 A804 L805 Q810 A811 | S803-E807 WeakPolarHBondContact O-CG 3.2Å; S803-E807 PolarHBondContact O-N 3.18Å; A804-E807 PolarHBondContact O-N 3.27Å; L805-E807 PolarHBondContact O-N 3.36Å; E807-Q810 PolarHBondContact O-N 2.65Å; E807-A811 WeakPolarHBondContact O-CB 3.35Å; E807-A811 PolarHBondContact O-N 2.92Å |
| 808 | T | 89.3 | Confident | 89.5 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 44% | 0.436 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | A804 L805 L806 Q810 A811 D812 | A804-T808 WeakPolarHBondContact O-CG2 3.25Å; A804-T808 PolarHBondContact O-N 3.21Å; A804-T808 VanDerWaalsContact O-N 3.13Å; L805-T808 PolarHBondContact O-N 3.46Å; L805-T808 PolarHBondContact O-OG1 2.82Å; L806-T808 VanDerWaalsContact C-N 3.31Å; L806-T808 PolarHBondContact O-N 3.49Å; T808-Q810 VanDerWaalsContact C-N 3.34Å; T808-Q810 PolarHBondContact O-N 2.84Å; T808-A811 PolarHBondContact O-N 3.27Å; T808-D812 PolarHBondContact O-N 2.88Å; T808-D812 VanDerWaalsContact O-N 3.07Å |
| 809 | Y | 90.9 | Very high | 89.3 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 26% | 0.263 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.2 | -68.4 | -34.1 | 0 | 0 | 0 | 113 | L615 L805 L806 E813 | L615-Y809 HydrophobicContact CD2-CD1 4.39Å; L805-Y809 HydrophobicContact CD1-CD2 4.5Å; L805-Y809 HydrophobicContact CD1-CE1 4.38Å; L805-Y809 HydrophobicContact CD1-CE2 3.88Å; L805-Y809 HydrophobicContact CD2-CE2 3.94Å; L805-Y809 HydrophobicContact CG-CD2 4.11Å; L805-Y809 HydrophobicContact CG-CE2 3.63Å; L805-Y809 PolarHBondContact O-N 3.05Å; L805-Y809 VanDerWaalsContact O-N 3.07Å; L806-Y809 PolarHBondContact O-N 3.36Å; Y809-E813 VanDerWaalsContact O-CB 3.23Å; Y809-E813 WeakPolarHBondContact O-CB 3.26Å; Y809-E813 PolarHBondContact O-N 2.98Å |
| 810 | Q | 88.4 | Confident | 89.1 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 176.2 | -74.6 | -179.9 | 10.8 | 0 | 0 | 112.6 | T619 L806 E807 T808 S814 | T619-Q810 HydrophobicContact CG2-CG 3.83Å; L806-Q810 HydrophobicContact CD1-CG 4.06Å; L806-Q810 HydrophobicContact CG-CG 4.34Å; L806-Q810 WeakPolarHBondContact O-CB 3.45Å; L806-Q810 VanDerWaalsContact O-CG 3.27Å; L806-Q810 WeakPolarHBondContact O-CG 3.36Å; L806-Q810 PolarHBondContact O-N 2.67Å; E807-Q810 PolarHBondContact O-N 2.65Å; T808-Q810 VanDerWaalsContact C-N 3.34Å; T808-Q810 PolarHBondContact O-N 2.84Å; Q810-S814 VanDerWaalsContact O-CB 3.29Å; Q810-S814 WeakPolarHBondContact O-CB 3.35Å; Q810-S814 PolarHBondContact O-N 3.49Å; Q810-S814 PolarHBondContact O-OG 3.16Å |
| 811 | A | 88.7 | Confident | 88.9 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E807 T808 S814 L815 | E807-A811 WeakPolarHBondContact O-CB 3.35Å; E807-A811 PolarHBondContact O-N 2.92Å; T808-A811 PolarHBondContact O-N 3.27Å; A811-S814 PolarHBondContact O-N 3.09Å; A811-S814 PolarHBondContact O-OG 3.46Å; A811-L815 WeakPolarHBondContact O-CB 3.16Å; A811-L815 PolarHBondContact O-N 3.03Å |
| 812 | D | 88.9 | Confident | 88.7 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.9 | -68.4 | -16.5 | 0 | 0 | 0 | 112.6 | Q569 L615 T808 L815 A816 | Q569-D812 PolarHBondContact NE2-OD1 3.14Å; L615-D812 HydrophobicContact CD1-CB 4.2Å; L615-D812 HydrophobicContact CD2-CB 4.06Å; T808-D812 PolarHBondContact O-N 2.88Å; T808-D812 VanDerWaalsContact O-N 3.07Å; D812-L815 PolarHBondContact O-N 3.42Å; D812-A816 VanDerWaalsContact O-CB 3.32Å; D812-A816 WeakPolarHBondContact O-CB 3.36Å; D812-A816 PolarHBondContact O-N 2.94Å |
| 813 | E | 89 | Confident | 88.6 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.6 | -175.4 | -170 | 150 | 0 | 0 | 111.5 | E616 T619 Y809 A816 K817 | E616-E813 HydrophobicContact CG-CG 4.13Å; T619-E813 VanDerWaalsContact CB-OE2 3.24Å; T619-E813 WeakPolarHBondContact CB-OE2 3.1Å; T619-E813 WeakPolarHBondContact CG2-OE2 3.4Å; T619-E813 PolarHBondContact OG1-OE2 3.49Å; Y809-E813 VanDerWaalsContact O-CB 3.23Å; Y809-E813 WeakPolarHBondContact O-CB 3.26Å; Y809-E813 PolarHBondContact O-N 2.98Å; E813-A816 PolarHBondContact O-N 3.33Å; E813-K817 HydrophobicContact CG-CD 4.34Å; E813-K817 WeakPolarHBondContact O-CG 3.48Å; E813-K817 PolarHBondContact O-N 3.4Å; E813-K817 IonicContact OE1-NZ 3.81Å; E813-K817 PolarHBondContact OE1-NZ 2.97Å |
| 814 | S | 87.9 | Confident | 88.4 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 178.8 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | Q810 A811 A816 K817 T818 | Q810-S814 VanDerWaalsContact O-CB 3.29Å; Q810-S814 WeakPolarHBondContact O-CB 3.35Å; Q810-S814 PolarHBondContact O-N 3.49Å; Q810-S814 PolarHBondContact O-OG 3.16Å; A811-S814 PolarHBondContact O-N 3.09Å; A811-S814 PolarHBondContact O-OG 3.46Å; S814-A816 PolarHBondContact O-N 3.49Å; S814-K817 PolarHBondContact O-N 3.38Å; S814-T818 WeakPolarHBondContact O-CG2 3.28Å; S814-T818 PolarHBondContact O-N 3.44Å; S814-T818 VanDerWaalsContact O-N 3.14Å |
| 815 | L | 89 | Confident | 88.3 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.1 | -173.1 | 63.8 | 0 | 0 | 0 | 110.3 | A566 Q569 I570 A811 D812 K817 T818 V819 | A566-L815 HydrophobicContact CB-CD1 3.92Å; A566-L815 HydrophobicContact CB-CD2 4.15Å; A566-L815 HydrophobicContact CB-CG 4.01Å; Q569-L815 HydrophobicContact CB-CD2 3.97Å; Q569-L815 VanDerWaalsContact CD-CD2 3.48Å; Q569-L815 HydrophobicContact CG-CD2 4.04Å; Q569-L815 VanDerWaalsContact OE1-CD2 3.28Å; I570-L815 HydrophobicContact CD1-CG 4.26Å; I570-L815 HydrophobicContact CG1-CD2 4.28Å; I570-L815 HydrophobicContact CG1-CG 4.44Å; A811-L815 WeakPolarHBondContact O-CB 3.16Å; A811-L815 PolarHBondContact O-N 3.03Å; D812-L815 PolarHBondContact O-N 3.42Å; L815-K817 VanDerWaalsContact C-N 3.33Å; L815-K817 PolarHBondContact O-N 3.33Å; L815-T818 PolarHBondContact O-N 2.94Å; L815-T818 VanDerWaalsContact O-N 3.14Å; L815-T818 PolarHBondContact O-OG1 3.38Å; L815-V819 WeakPolarHBondContact O-CG2 3.42Å; L815-V819 PolarHBondContact O-N 3.07Å |
| 816 | A | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | I570 F608 L612 L615 D812 E813 S814 T818 V819 Q820 | I570-A816 HydrophobicContact CD1-CB 3.77Å; I570-A816 HydrophobicContact CG1-CB 4.17Å; I570-A816 HydrophobicContact CG2-CB 4.45Å; F608-A816 HydrophobicContact CE1-CB 4.49Å; F608-A816 HydrophobicContact CE2-CB 4.46Å; F608-A816 HydrophobicContact CZ-CB 3.84Å; F608-A816 VanDerWaalsContact CZ-O 3.23Å; F608-A816 WeakPolarHBondContact CZ-O 3.26Å; L612-A816 HydrophobicContact CD1-CB 3.73Å; L615-A816 HydrophobicContact CD1-CB 4.43Å; D812-A816 VanDerWaalsContact O-CB 3.32Å; D812-A816 WeakPolarHBondContact O-CB 3.36Å; D812-A816 PolarHBondContact O-N 2.94Å; E813-A816 PolarHBondContact O-N 3.33Å; S814-A816 PolarHBondContact O-N 3.49Å; A816-T818 VanDerWaalsContact C-N 3.33Å; A816-T818 PolarHBondContact O-N 3.17Å; A816-V819 PolarHBondContact O-N 3.1Å; A816-Q820 PolarHBondContact O-N 3.07Å; A816-Q820 VanDerWaalsContact O-N 3.13Å |
| 817 | K | 87.5 | Confident | 88 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 175.8 | -77.3 | 176.2 | 174.6 | 172 | 0 | 113 | L612 E616 E813 S814 L815 V819 | L612-K817 HydrophobicContact CD1-CG 4.21Å; E616-K817 WeakPolarHBondContact OE1-CE 3.29Å; E616-K817 IonicContact OE1-NZ 2.9Å; E616-K817 PolarHBondContact OE1-NZ 3.48Å; E813-K817 HydrophobicContact CG-CD 4.34Å; E813-K817 WeakPolarHBondContact O-CG 3.48Å; E813-K817 PolarHBondContact O-N 3.4Å; E813-K817 IonicContact OE1-NZ 3.81Å; E813-K817 PolarHBondContact OE1-NZ 2.97Å; S814-K817 PolarHBondContact O-N 3.38Å; L815-K817 VanDerWaalsContact C-N 3.33Å; L815-K817 PolarHBondContact O-N 3.33Å; K817-V819 VanDerWaalsContact C-N 3.34Å; K817-V819 PolarHBondContact O-N 3.4Å |
| 818 | T | 87.3 | Confident | 87.9 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.7 | -32.5 | 175.7 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | S814 L815 A816 | S814-T818 WeakPolarHBondContact O-CG2 3.28Å; S814-T818 PolarHBondContact O-N 3.44Å; S814-T818 VanDerWaalsContact O-N 3.14Å; L815-T818 PolarHBondContact O-N 2.94Å; L815-T818 VanDerWaalsContact O-N 3.14Å; L815-T818 PolarHBondContact O-OG1 3.38Å; A816-T818 VanDerWaalsContact C-N 3.33Å; A816-T818 PolarHBondContact O-N 3.17Å |
| 819 | V | 87.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.5 | -24.9 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | H563 A566 L567 I570 F608 L815 A816 K817 G821 D822 L823 | H563-V819 HydrophobicContact CB-CG1 4.06Å; A566-V819 HydrophobicContact CB-CG2 3.79Å; L567-V819 HydrophobicContact CD2-CG1 4.47Å; I570-V819 HydrophobicContact CD1-CG2 4.43Å; F608-V819 HydrophobicContact CE2-CB 4.37Å; F608-V819 HydrophobicContact CE2-CG1 4.26Å; F608-V819 HydrophobicContact CZ-CB 4.01Å; F608-V819 HydrophobicContact CZ-CG1 4.26Å; L815-V819 WeakPolarHBondContact O-CG2 3.42Å; L815-V819 PolarHBondContact O-N 3.07Å; A816-V819 PolarHBondContact O-N 3.1Å; K817-V819 VanDerWaalsContact C-N 3.34Å; K817-V819 PolarHBondContact O-N 3.4Å; V819-G821 VanDerWaalsContact C-N 3.32Å; V819-G821 PolarHBondContact O-N 2.98Å; V819-D822 PolarHBondContact O-N 2.9Å; V819-D822 VanDerWaalsContact O-N 3.17Å; V819-L823 HydrophobicContact CG1-CD1 3.79Å; V819-L823 HydrophobicContact CG1-CG 3.92Å; V819-L823 PolarHBondContact O-N 3.39Å; V819-L823 VanDerWaalsContact O-N 3.14Å |
| 820 | Q | 87.4 | Confident | 87.7 | Confident | 98 Ų | 98 | 47 Ų | 47 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -53 | -42.1 | -173.2 | -172.8 | -177.1 | 12.2 | 0 | 0 | 114.2 | F608 L612 A816 L823 A824 | F608-Q820 HydrophobicContact CE1-CB 4.3Å; L612-Q820 HydrophobicContact CD2-CG 4.49Å; A816-Q820 PolarHBondContact O-N 3.07Å; A816-Q820 VanDerWaalsContact O-N 3.13Å; Q820-L823 PolarHBondContact O-N 3.08Å; Q820-A824 PolarHBondContact O-N 3.11Å |
| 821 | G | 85.2 | Confident | 87.7 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V819 L823 A824 I825 | V819-G821 VanDerWaalsContact C-N 3.32Å; V819-G821 PolarHBondContact O-N 2.98Å; G821-L823 VanDerWaalsContact C-N 3.34Å; G821-L823 PolarHBondContact O-N 2.82Å; G821-A824 PolarHBondContact O-N 3.39Å; G821-I825 PolarHBondContact O-N 3.15Å |
| 822 | D | 87.4 | Confident | 87.7 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -30.2 | -179.9 | -76.2 | -24.7 | 0 | 0 | 0 | 111.9 | I559 R562 H563 V819 A824 I825 L826 | I559-D822 HydrophobicContact CG2-CB 3.93Å; R562-D822 IonicContact CZ-OD2 3Å; R562-D822 IonicContact NE-OD2 2.69Å; R562-D822 IonicContact NH1-OD1 2.65Å; R562-D822 IonicContact NH1-OD2 3.79Å; R562-D822 PolarHBondContact NH1-OD2 2.73Å; R562-D822 IonicContact NH2-OD2 3.8Å; R562-D822 PolarHBondContact NH2-OD2 2.91Å; H563-D822 IonicContact CD2-OD2 2.76Å; H563-D822 IonicContact CE1-OD2 2.91Å; H563-D822 WeakPolarHBondContact NE2-CB 3.49Å; H563-D822 IonicContact NE2-OD2 2.8Å; H563-D822 PolarHBondContact NE2-OD2 2.83Å; V819-D822 PolarHBondContact O-N 2.9Å; V819-D822 VanDerWaalsContact O-N 3.17Å; D822-A824 VanDerWaalsContact C-N 3.32Å; D822-A824 PolarHBondContact O-N 2.73Å; D822-I825 PolarHBondContact O-N 3.43Å; D822-L826 WeakPolarHBondContact O-CB 3.29Å; D822-L826 PolarHBondContact O-N 2.82Å |
| 823 | L | 87.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -31.6 | 172.9 | -74.7 | 169.5 | 0 | 0 | 0 | 113.4 | L604 F608 V819 Q820 G821 I825 L826 E827 | L604-L823 HydrophobicContact CD2-CD2 3.53Å; L604-L823 HydrophobicContact CG-CD2 3.81Å; F608-L823 HydrophobicContact CB-CD1 3.89Å; F608-L823 HydrophobicContact CD1-CD1 3.31Å; F608-L823 HydrophobicContact CD2-CD1 3.42Å; F608-L823 VanDerWaalsContact CD2-CD1 3.42Å; F608-L823 HydrophobicContact CE1-CD1 3.53Å; F608-L823 HydrophobicContact CE2-CD1 3.6Å; F608-L823 HydrophobicContact CG-CD1 3.24Å; F608-L823 HydrophobicContact CZ-CD1 3.65Å; V819-L823 HydrophobicContact CG1-CD1 3.79Å; V819-L823 HydrophobicContact CG1-CG 3.92Å; V819-L823 PolarHBondContact O-N 3.39Å; V819-L823 VanDerWaalsContact O-N 3.14Å; Q820-L823 PolarHBondContact O-N 3.08Å; G821-L823 VanDerWaalsContact C-N 3.34Å; G821-L823 PolarHBondContact O-N 2.82Å; L823-I825 VanDerWaalsContact C-N 3.35Å; L823-L826 PolarHBondContact O-N 3.42Å; L823-E827 PolarHBondContact O-N 3.47Å |
| 824 | A | 85.9 | Confident | 87.6 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.7 | -35.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q820 G821 D822 R828 | Q820-A824 PolarHBondContact O-N 3.11Å; G821-A824 PolarHBondContact O-N 3.39Å; D822-A824 VanDerWaalsContact C-N 3.32Å; D822-A824 PolarHBondContact O-N 2.73Å; A824-R828 PolarHBondContact O-N 3.27Å |
| 825 | I | 88 | Confident | 87.5 | Confident | 80 Ų | 80 | 44.2 Ų | 44.2 | 41% | 0.41 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.4 | -43.6 | 173.5 | -59.5 | 172 | 0 | 0 | 0 | 109.9 | I559 G821 D822 L823 E827 R828 L829 | I559-I825 HydrophobicContact CD1-CB 4.07Å; I559-I825 HydrophobicContact CD1-CG2 3.63Å; G821-I825 PolarHBondContact O-N 3.15Å; D822-I825 PolarHBondContact O-N 3.43Å; L823-I825 VanDerWaalsContact C-N 3.35Å; I825-E827 PolarHBondContact O-N 2.75Å; I825-R828 PolarHBondContact O-N 3.22Å; I825-L829 HydrophobicContact CG2-CD1 4.14Å; I825-L829 HydrophobicContact CG2-CG 4.38Å; I825-L829 WeakPolarHBondContact O-CG 3.29Å; I825-L829 PolarHBondContact O-N 3.16Å |
| 826 | L | 87.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 178 | -173.5 | 150.6 | 0 | 0 | 0 | 111.7 | I556 I559 R560 V579 D822 L823 R828 L829 E830 | I556-L826 HydrophobicContact CG2-CG 4.4Å; I559-L826 HydrophobicContact CB-CD1 4.3Å; I559-L826 HydrophobicContact CG2-CB 4.16Å; I559-L826 HydrophobicContact CG2-CD1 3.97Å; R560-L826 HydrophobicContact CB-CD1 4.43Å; V579-L826 HydrophobicContact CG1-CD1 4.37Å; V579-L826 HydrophobicContact CG1-CD2 4.16Å; D822-L826 WeakPolarHBondContact O-CB 3.29Å; D822-L826 PolarHBondContact O-N 2.82Å; L823-L826 PolarHBondContact O-N 3.42Å; L826-R828 VanDerWaalsContact C-N 3.33Å; L826-R828 PolarHBondContact O-N 3.15Å; L826-L829 PolarHBondContact O-N 3.33Å; L826-E830 HydrophobicContact CD2-CG 4.07Å; L826-E830 WeakPolarHBondContact O-CG 3.45Å; L826-E830 PolarHBondContact O-N 3.01Å |
| 827 | E | 87 | Confident | 87.4 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 178.3 | -169.3 | -160.7 | -138.5 | 0 | 0 | 112.3 | R603 R605 L823 I825 E830 N831 | R603-E827 VanDerWaalsContact NH2-CG 3.26Å; R603-E827 PolarHBondContact NH2-O 3.06Å; R605-E827 HydrophobicContact CB-CB 4.31Å; R605-E827 WeakPolarHBondContact CD-OE1 3.38Å; R605-E827 WeakPolarHBondContact CD-OE2 3.48Å; R605-E827 IonicContact CZ-OE2 3.21Å; R605-E827 IonicContact NE-OE2 2.77Å; R605-E827 IonicContact NH1-OE2 3.68Å; R605-E827 PolarHBondContact NH1-OE2 3.12Å; L823-E827 PolarHBondContact O-N 3.47Å; I825-E827 PolarHBondContact O-N 2.75Å; E827-E830 PolarHBondContact O-N 3.39Å; E827-N831 PolarHBondContact O-N 3.42Å; E827-N831 PolarHBondContact O-ND2 2.98Å; E827-N831 PolarHBondContact O-OD1 3.49Å |
| 828 | R | 88.4 | Confident | 87.3 | Confident | 165 Ų | 165 | 38.8 Ų | 38.8 | 62% | 0.623 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.2 | -47.4 | 175.3 | -176.5 | -175.7 | -67.6 | 168.8 | -1.1 | 111 | A824 I825 L826 E830 N831 E832 | A824-R828 PolarHBondContact O-N 3.27Å; I825-R828 PolarHBondContact O-N 3.22Å; L826-R828 VanDerWaalsContact C-N 3.33Å; L826-R828 PolarHBondContact O-N 3.15Å; R828-E830 VanDerWaalsContact C-N 3.33Å; R828-E830 PolarHBondContact O-N 2.97Å; R828-N831 PolarHBondContact O-N 3.33Å; R828-E832 WeakPolarHBondContact CG-OE1 3.32Å; R828-E832 WeakPolarHBondContact O-CG 3.46Å; R828-E832 PolarHBondContact O-N 3.11Å |
| 829 | L | 88.4 | Confident | 87.2 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.131 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.3 | -37.4 | 178.4 | -66.6 | 175.7 | 0 | 0 | 0 | 112.1 | K552 I556 I559 I825 L826 S833 | K552-L829 HydrophobicContact CD-CD2 3.71Å; I556-L829 HydrophobicContact CD1-CB 4.12Å; I556-L829 HydrophobicContact CG1-CB 3.54Å; I556-L829 HydrophobicContact CG1-CD1 4.38Å; I559-L829 HydrophobicContact CD1-CD1 3.94Å; I825-L829 HydrophobicContact CG2-CD1 4.14Å; I825-L829 HydrophobicContact CG2-CG 4.38Å; I825-L829 WeakPolarHBondContact O-CG 3.29Å; I825-L829 PolarHBondContact O-N 3.16Å; L826-L829 PolarHBondContact O-N 3.33Å; L829-S833 VanDerWaalsContact O-CB 3.29Å; L829-S833 WeakPolarHBondContact O-CB 3.38Å; L829-S833 PolarHBondContact O-N 3.21Å; L829-S833 PolarHBondContact O-OG 3.21Å |
| 830 | E | 87.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.8 | -78.7 | -173.7 | 143.9 | 0 | 0 | 111.9 | I556 V579 A580 R603 L826 E827 R828 S833 Y834 | I556-E830 HydrophobicContact CD1-CB 4.35Å; I556-E830 HydrophobicContact CD1-CG 3.83Å; I556-E830 HydrophobicContact CG1-CG 4.36Å; I556-E830 HydrophobicContact CG2-CG 4.45Å; V579-E830 WeakPolarHBondContact CG1-OE1 3.28Å; A580-E830 HydrophobicContact CB-CG 4.1Å; A580-E830 PolarHBondContact N-OE1 3.47Å; R603-E830 IonicContact CZ-OE2 3.49Å; R603-E830 IonicContact NE-OE2 3.53Å; R603-E830 PolarHBondContact NE-OE2 3.17Å; R603-E830 IonicContact NH2-OE2 2.85Å; R603-E830 PolarHBondContact NH2-OE2 2.8Å; L826-E830 HydrophobicContact CD2-CG 4.07Å; L826-E830 WeakPolarHBondContact O-CG 3.45Å; L826-E830 PolarHBondContact O-N 3.01Å; E827-E830 PolarHBondContact O-N 3.39Å; R828-E830 VanDerWaalsContact C-N 3.33Å; R828-E830 PolarHBondContact O-N 2.97Å; E830-S833 PolarHBondContact O-N 3.46Å; E830-Y834 PolarHBondContact O-N 3.45Å |
| 831 | N | 87.3 | Confident | 86.9 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 17% | 0.166 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.2 | -67.2 | -15.5 | 0 | 0 | 0 | 111.2 | R603 E827 R828 S833 Y834 E835 | R603-N831 VanDerWaalsContact CZ-OD1 3.29Å; R603-N831 PolarHBondContact NH1-OD1 3.25Å; R603-N831 PolarHBondContact NH2-OD1 3.29Å; E827-N831 PolarHBondContact O-N 3.42Å; E827-N831 PolarHBondContact O-ND2 2.98Å; E827-N831 PolarHBondContact O-OD1 3.49Å; R828-N831 PolarHBondContact O-N 3.33Å; N831-S833 VanDerWaalsContact C-N 3.31Å; N831-S833 PolarHBondContact O-N 3.31Å; N831-Y834 PolarHBondContact O-N 3.02Å; N831-E835 WeakPolarHBondContact O-CG 3.33Å; N831-E835 PolarHBondContact O-N 3.24Å |
| 832 | E | 88.2 | Confident | 86.7 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.2 | -71.4 | 172.7 | -171.4 | 0 | 0 | 111.2 | K552 R828 E835 L836 | K552-E832 WeakPolarHBondContact CD-OE2 3.36Å; K552-E832 WeakPolarHBondContact CE-OE2 3.32Å; K552-E832 IonicContact NZ-OE2 3.25Å; K552-E832 PolarHBondContact NZ-OE2 3.45Å; R828-E832 WeakPolarHBondContact CG-OE1 3.32Å; R828-E832 WeakPolarHBondContact O-CG 3.46Å; R828-E832 PolarHBondContact O-N 3.11Å; E832-E835 PolarHBondContact O-N 3.47Å; E832-L836 WeakPolarHBondContact O-CB 3.43Å; E832-L836 WeakPolarHBondContact O-CG 3.22Å; E832-L836 PolarHBondContact O-N 3.46Å |
| 833 | S | 87.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | K552 L829 E830 N831 T837 | K552-S833 WeakPolarHBondContact CB-OG 3.26Å; L829-S833 VanDerWaalsContact O-CB 3.29Å; L829-S833 WeakPolarHBondContact O-CB 3.38Å; L829-S833 PolarHBondContact O-N 3.21Å; L829-S833 PolarHBondContact O-OG 3.21Å; E830-S833 PolarHBondContact O-N 3.46Å; N831-S833 VanDerWaalsContact C-N 3.31Å; N831-S833 PolarHBondContact O-N 3.31Å; S833-T837 WeakPolarHBondContact O-CB 3.28Å; S833-T837 PolarHBondContact O-N 2.8Å; S833-T837 PolarHBondContact O-OG1 2.89Å |
| 834 | Y | 87.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -46.6 | 175 | -175.1 | -87.3 | 0 | 0 | 0 | 111.4 | L585 Q588 N590 I594 F597 E830 N831 L836 T837 V838 | L585-Y834 HydrophobicContact CD2-CD2 3.77Å; L585-Y834 HydrophobicContact CD2-CG 4.35Å; Q588-Y834 HydrophobicContact CB-CE2 4.24Å; Q588-Y834 PolarHBondContact O-OH 3.49Å; Q588-Y834 VanDerWaalsContact O-OH 3.11Å; N590-Y834 PolarHBondContact N-OH 2.91Å; N590-Y834 PolarHBondContact O-OH 3.23Å; N590-Y834 VanDerWaalsContact O-OH 3.07Å; I594-Y834 HydrophobicContact CB-CE1 4.16Å; I594-Y834 HydrophobicContact CG1-CD1 4.26Å; I594-Y834 HydrophobicContact CG1-CE1 3.68Å; F597-Y834 HydrophobicContact CB-CD1 4.37Å; F597-Y834 HydrophobicContact CB-CD2 4.1Å; F597-Y834 HydrophobicContact CB-CE1 4.18Å; F597-Y834 HydrophobicContact CB-CE2 3.89Å; F597-Y834 HydrophobicContact CB-CG 4.36Å; F597-Y834 HydrophobicContact CD1-CD1 4.14Å; F597-Y834 AromaticContact CD1-CD2 3.69Å; F597-Y834 HydrophobicContact CD1-CD2 3.69Å; F597-Y834 HydrophobicContact CD1-CE2 4.35Å; F597-Y834 AromaticContact CD1-CG 3.58Å; F597-Y834 HydrophobicContact CD1-CG 3.58Å; F597-Y834 AromaticContact CD2-CD2 3.57Å; F597-Y834 HydrophobicContact CD2-CD2 3.57Å; F597-Y834 AromaticContact CD2-CE2 3.74Å; F597-Y834 HydrophobicContact CD2-CE2 3.74Å; F597-Y834 HydrophobicContact CD2-CG 4.33Å; F597-Y834 AromaticContact CE1-CD2 3.95Å; F597-Y834 HydrophobicContact CE1-CD2 3.95Å; F597-Y834 AromaticContact CE1-CG 3.89Å; F597-Y834 HydrophobicContact CE1-CG 3.89Å; F597-Y834 AromaticContact CE2-CD2 3.84Å; F597-Y834 HydrophobicContact CE2-CD2 3.84Å; F597-Y834 HydrophobicContact CE2-CE2 4.37Å; F597-Y834 HydrophobicContact CG-CD1 4.3Å; F597-Y834 AromaticContact CG-CD2 3.49Å; F597-Y834 HydrophobicContact CG-CD2 3.49Å; F597-Y834 VanDerWaalsContact CG-CD2 3.49Å; F597-Y834 AromaticContact CG-CE2 3.72Å; F597-Y834 HydrophobicContact CG-CE2 3.72Å; F597-Y834 AromaticContact CG-CG 3.82Å; F597-Y834 HydrophobicContact CG-CG 3.82Å; F597-Y834 HydrophobicContact CZ-CD2 4.02Å; F597-Y834 HydrophobicContact CZ-CG 4.39Å; E830-Y834 PolarHBondContact O-N 3.45Å; N831-Y834 PolarHBondContact O-N 3.02Å; Y834-L836 PolarHBondContact O-N 3.47Å; Y834-T837 WeakPolarHBondContact O-CB 3.36Å; Y834-T837 PolarHBondContact O-N 3.02Å; Y834-T837 VanDerWaalsContact O-N 3.13Å; Y834-V838 HydrophobicContact CD1-CG2 4.05Å; Y834-V838 HydrophobicContact CE1-CG2 3.6Å; Y834-V838 WeakPolarHBondContact O-CG2 3.38Å; Y834-V838 PolarHBondContact O-N 3.2Å |
| 835 | E | 86.5 | Confident | 85.3 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 177.4 | -73.4 | -178.2 | -173.9 | 0 | 0 | 112.5 | N831 E832 T837 V838 K839 | N831-E835 WeakPolarHBondContact O-CG 3.33Å; N831-E835 PolarHBondContact O-N 3.24Å; E832-E835 PolarHBondContact O-N 3.47Å; E835-T837 VanDerWaalsContact C-N 3.31Å; E835-T837 PolarHBondContact O-N 3.26Å; E835-V838 PolarHBondContact O-N 2.76Å; E835-K839 PolarHBondContact O-N 3.32Å |
| 836 | L | 87.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 175.1 | -67.9 | 168.2 | 0 | 0 | 0 | 111.4 | V545 E548 R549 K552 E832 Y834 K839 I840 | V545-L836 HydrophobicContact CG1-CB 4.33Å; V545-L836 HydrophobicContact CG1-CD2 3.76Å; E548-L836 HydrophobicContact CB-CD1 4.17Å; E548-L836 HydrophobicContact CB-CD2 4.5Å; E548-L836 HydrophobicContact CG-CD1 3.87Å; E548-L836 HydrophobicContact CG-CD2 4.48Å; R549-L836 HydrophobicContact CB-CB 4.04Å; R549-L836 HydrophobicContact CB-CD1 4.32Å; R549-L836 HydrophobicContact CG-CB 4.35Å; K552-L836 HydrophobicContact CG-CD1 4.22Å; E832-L836 WeakPolarHBondContact O-CB 3.43Å; E832-L836 WeakPolarHBondContact O-CG 3.22Å; E832-L836 PolarHBondContact O-N 3.46Å; Y834-L836 PolarHBondContact O-N 3.47Å; L836-K839 PolarHBondContact O-N 2.87Å; L836-I840 WeakPolarHBondContact O-CD1 3.42Å; L836-I840 VanDerWaalsContact O-CG1 3.26Å; L836-I840 WeakPolarHBondContact O-CG1 3.42Å; L836-I840 PolarHBondContact O-N 3.33Å |
| 837 | T | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | 176.5 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | R549 L585 E586 A589 S833 Y834 E835 I840 N841 | R549-T837 WeakPolarHBondContact CD-OG1 3.45Å; L585-T837 HydrophobicContact CB-CG2 4.36Å; E586-T837 HydrophobicContact CG-CG2 4.12Å; A589-T837 HydrophobicContact CB-CG2 3.4Å; A589-T837 VanDerWaalsContact CB-CG2 3.4Å; S833-T837 WeakPolarHBondContact O-CB 3.28Å; S833-T837 PolarHBondContact O-N 2.8Å; S833-T837 PolarHBondContact O-OG1 2.89Å; Y834-T837 WeakPolarHBondContact O-CB 3.36Å; Y834-T837 PolarHBondContact O-N 3.02Å; Y834-T837 VanDerWaalsContact O-N 3.13Å; E835-T837 VanDerWaalsContact C-N 3.31Å; E835-T837 PolarHBondContact O-N 3.26Å; T837-I840 PolarHBondContact O-N 3Å; T837-N841 PolarHBondContact O-N 3Å |
| 838 | V | 85.9 | Confident | 82.3 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 173.5 | 171.3 | 0 | 0 | 0 | 0 | 111 | A589 P591 I594 Y834 E835 I840 N841 Q842 | A589-V838 HydrophobicContact CB-CG2 4.19Å; P591-V838 HydrophobicContact CB-CG1 3.77Å; P591-V838 HydrophobicContact CG-CG1 4.5Å; I594-V838 HydrophobicContact CD1-CG1 4.47Å; I594-V838 HydrophobicContact CG1-CG2 4.33Å; Y834-V838 HydrophobicContact CD1-CG2 4.05Å; Y834-V838 HydrophobicContact CE1-CG2 3.6Å; Y834-V838 WeakPolarHBondContact O-CG2 3.38Å; Y834-V838 PolarHBondContact O-N 3.2Å; E835-V838 PolarHBondContact O-N 2.76Å; V838-I840 PolarHBondContact O-N 3.04Å; V838-N841 PolarHBondContact O-N 2.63Å; V838-Q842 WeakPolarHBondContact O-CG 3.33Å; V838-Q842 PolarHBondContact O-N 3.06Å |
| 839 | K | 84.7 | Confident | 80.9 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.6 | -76.9 | 179.6 | 178.7 | 174.4 | 0 | 112.2 | V545 E835 L836 Q842 F843 | V545-K839 HydrophobicContact CG1-CB 4.13Å; E835-K839 PolarHBondContact O-N 3.32Å; L836-K839 PolarHBondContact O-N 2.87Å; K839-Q842 WeakPolarHBondContact O-CB 3.37Å; K839-Q842 PolarHBondContact O-N 3.03Å; K839-F843 WeakPolarHBondContact O-CD2 3.4Å; K839-F843 PolarHBondContact O-N 2.96Å |
| 840 | I | 85.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.1 | -69.2 | 160.5 | 0 | 0 | 0 | 110.9 | L542 V545 Q546 R549 L836 T837 V838 Q842 F843 K844 | L542-I840 HydrophobicContact CD1-CG2 4.42Å; V545-I840 HydrophobicContact CB-CG1 4.39Å; V545-I840 HydrophobicContact CG1-CD1 4.14Å; V545-I840 HydrophobicContact CG1-CG1 3.67Å; Q546-I840 HydrophobicContact CB-CD1 4.44Å; Q546-I840 HydrophobicContact CG-CD1 3.87Å; Q546-I840 HydrophobicContact CG-CG1 3.97Å; Q546-I840 HydrophobicContact CG-CG2 4.28Å; R549-I840 HydrophobicContact CB-CD1 4.05Å; R549-I840 HydrophobicContact CG-CD1 4.46Å; L836-I840 WeakPolarHBondContact O-CD1 3.42Å; L836-I840 VanDerWaalsContact O-CG1 3.26Å; L836-I840 WeakPolarHBondContact O-CG1 3.42Å; L836-I840 PolarHBondContact O-N 3.33Å; T837-I840 PolarHBondContact O-N 3Å; V838-I840 PolarHBondContact O-N 3.04Å; I840-Q842 VanDerWaalsContact C-N 3.33Å; I840-Q842 PolarHBondContact O-N 2.78Å; I840-F843 PolarHBondContact O-N 3.2Å; I840-K844 HydrophobicContact CG2-CD 4.22Å; I840-K844 HydrophobicContact CG2-CG 4.36Å; I840-K844 WeakPolarHBondContact O-CB 3.3Å; I840-K844 WeakPolarHBondContact O-CG 3.49Å; I840-K844 PolarHBondContact O-N 3.12Å |
| 841 | N | 83.7 | Confident | 77.6 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177.2 | -79.2 | -6.3 | 0 | 0 | 0 | 111.8 | A589 T837 V838 K844 Y845 | A589-N841 WeakPolarHBondContact CB-ND2 3.24Å; A589-N841 PolarHBondContact O-ND2 3.26Å; A589-N841 VanDerWaalsContact O-ND2 3.15Å; T837-N841 PolarHBondContact O-N 3Å; V838-N841 PolarHBondContact O-N 2.63Å; N841-K844 PolarHBondContact O-N 3.34Å; N841-Y845 PolarHBondContact O-N 2.8Å |
| 842 | Q | 81.2 | Confident | 76 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 172.7 | -74.6 | 175.1 | -15.6 | 0 | 0 | 111.3 | V838 K839 I840 K844 Y845 E846 | V838-Q842 WeakPolarHBondContact O-CG 3.33Å; V838-Q842 PolarHBondContact O-N 3.06Å; K839-Q842 WeakPolarHBondContact O-CB 3.37Å; K839-Q842 PolarHBondContact O-N 3.03Å; I840-Q842 VanDerWaalsContact C-N 3.33Å; I840-Q842 PolarHBondContact O-N 2.78Å; Q842-K844 PolarHBondContact O-N 3.14Å; Q842-Y845 PolarHBondContact O-N 3.12Å; Q842-E846 WeakPolarHBondContact O-CG 3.33Å; Q842-E846 PolarHBondContact O-N 2.96Å; Q842-E846 VanDerWaalsContact O-N 3.07Å |
| 843 | F | 78.8 | Confident | 74.1 | Confident | 33 Ų | 33 | 72 Ų | 72 | 15% | 0.145 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 177.1 | -75.6 | -56.5 | 0 | 0 | 0 | 112.4 | E541 L542 V545 K839 I840 Y845 E846 F847 | E541-F843 HydrophobicContact CB-CE1 4.44Å; E541-F843 HydrophobicContact CB-CZ 3.99Å; L542-F843 HydrophobicContact CB-CB 4.41Å; L542-F843 HydrophobicContact CD1-CB 3.32Å; L542-F843 HydrophobicContact CD1-CD2 4.31Å; L542-F843 HydrophobicContact CD1-CG 4.14Å; L542-F843 HydrophobicContact CG-CB 4.44Å; V545-F843 HydrophobicContact CG2-CE2 4.22Å; K839-F843 WeakPolarHBondContact O-CD2 3.4Å; K839-F843 PolarHBondContact O-N 2.96Å; I840-F843 PolarHBondContact O-N 3.2Å; F843-Y845 VanDerWaalsContact C-N 3.29Å; F843-Y845 PolarHBondContact O-N 3.13Å; F843-E846 WeakPolarHBondContact O-CA 3.25Å; F843-E846 WeakPolarHBondContact O-CB 3.43Å; F843-E846 PolarHBondContact O-N 3.35Å; F843-E846 VanDerWaalsContact O-N 3.07Å; F843-F847 HydrophobicContact CB-CD2 4.36Å; F843-F847 HydrophobicContact CB-CE2 4.05Å; F843-F847 HydrophobicContact CD1-CE2 4.49Å; F843-F847 WeakPolarHBondContact O-CD2 3.17Å; F843-F847 PolarHBondContact O-N 2.98Å |
| 844 | K | 77.3 | Confident | 72.5 | Confident | 100 Ų | 100 | 78 Ų | 78 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 176.7 | -79.9 | -177.5 | 178.2 | 178.7 | 0 | 112.2 | I840 N841 Q842 E846 F847 | I840-K844 HydrophobicContact CG2-CD 4.22Å; I840-K844 HydrophobicContact CG2-CG 4.36Å; I840-K844 WeakPolarHBondContact O-CB 3.3Å; I840-K844 WeakPolarHBondContact O-CG 3.49Å; I840-K844 PolarHBondContact O-N 3.12Å; N841-K844 PolarHBondContact O-N 3.34Å; Q842-K844 PolarHBondContact O-N 3.14Å; K844-E846 VanDerWaalsContact C-N 3.33Å; K844-F847 PolarHBondContact O-N 3.34Å |
| 845 | Y | 75.6 | Confident | 71.1 | Confident | 196 Ų | 196 | 82.8 Ų | 82.8 | 77% | 0.769 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.4 | -39.4 | 175.6 | -147.3 | -88.9 | 0 | 0 | 0 | 111 | N841 Q842 F843 F847 T848 | N841-Y845 PolarHBondContact O-N 2.8Å; Q842-Y845 PolarHBondContact O-N 3.12Å; F843-Y845 VanDerWaalsContact C-N 3.29Å; F843-Y845 PolarHBondContact O-N 3.13Å; Y845-F847 VanDerWaalsContact C-N 3.29Å; Y845-F847 PolarHBondContact O-N 2.81Å; Y845-T848 PolarHBondContact O-OG1 3.2Å |
| 846 | E | 70.8 | Confident | 69.8 | Low | 97 Ų | 97 | 86.3 Ų | 86.3 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.5 | -21.4 | 176 | -67.6 | -173.4 | 150.1 | 0 | 0 | 114.4 | K538 Q842 F843 K844 | K538-E846 IonicContact NZ-OE1 2.91Å; K538-E846 PolarHBondContact NZ-OE1 2.65Å; K538-E846 VanDerWaalsContact NZ-OE1 3.08Å; K538-E846 IonicContact NZ-OE2 2.81Å; K538-E846 PolarHBondContact NZ-OE2 3.09Å; Q842-E846 WeakPolarHBondContact O-CG 3.33Å; Q842-E846 PolarHBondContact O-N 2.96Å; Q842-E846 VanDerWaalsContact O-N 3.07Å; F843-E846 WeakPolarHBondContact O-CA 3.25Å; F843-E846 WeakPolarHBondContact O-CB 3.43Å; F843-E846 PolarHBondContact O-N 3.35Å; F843-E846 VanDerWaalsContact O-N 3.07Å; K844-E846 VanDerWaalsContact C-N 3.33Å |
| 847 | F | 66 | Low | 68.8 | Low | 19 Ų | 19 | 91 Ų | 91 | 8% | 0.083 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -1.5 | -178.1 | -75.9 | -58.9 | 0 | 0 | 0 | 115.8 | K538 Y539 L542 F843 K844 Y845 D849 I850 | K538-F847 VanDerWaalsContact C-CZ 3.44Å; K538-F847 HydrophobicContact CB-CE1 4.06Å; K538-F847 HydrophobicContact CB-CZ 3.56Å; Y539-F847 HydrophobicContact CD1-CE1 4.43Å; Y539-F847 HydrophobicContact CD1-CZ 4.41Å; Y539-F847 AromaticContact CD2-CD1 3.44Å; Y539-F847 HydrophobicContact CD2-CD1 3.44Å; Y539-F847 VanDerWaalsContact CD2-CD1 3.44Å; Y539-F847 AromaticContact CD2-CE1 3.06Å; Y539-F847 HydrophobicContact CD2-CE1 3.06Å; Y539-F847 HydrophobicContact CD2-CG 4.36Å; Y539-F847 AromaticContact CD2-CZ 3.74Å; Y539-F847 HydrophobicContact CD2-CZ 3.74Å; Y539-F847 AromaticContact CE2-CD1 3.14Å; Y539-F847 HydrophobicContact CE2-CD1 3.14Å; Y539-F847 AromaticContact CE2-CE1 3.36Å; Y539-F847 HydrophobicContact CE2-CE1 3.36Å; Y539-F847 AromaticContact CE2-CG 3.86Å; Y539-F847 HydrophobicContact CE2-CG 3.86Å; Y539-F847 HydrophobicContact CE2-CZ 4.21Å; Y539-F847 HydrophobicContact CG-CD1 4.26Å; Y539-F847 AromaticContact CG-CE1 3.67Å; Y539-F847 HydrophobicContact CG-CE1 3.67Å; Y539-F847 AromaticContact CG-CZ 3.83Å; Y539-F847 HydrophobicContact CG-CZ 3.83Å; Y539-F847 AromaticContact CZ-CD1 3.77Å; L542-F847 HydrophobicContact CB-CE2 3.97Å; L542-F847 HydrophobicContact CD1-CE2 4.37Å; L542-F847 HydrophobicContact CD2-CD2 4.16Å; L542-F847 HydrophobicContact CD2-CE2 4.07Å; L542-F847 HydrophobicContact CG-CE2 4.35Å; F843-F847 HydrophobicContact CB-CD2 4.36Å; F843-F847 HydrophobicContact CB-CE2 4.05Å; F843-F847 HydrophobicContact CD1-CE2 4.49Å; F843-F847 WeakPolarHBondContact O-CD2 3.17Å; F843-F847 PolarHBondContact O-N 2.98Å; K844-F847 PolarHBondContact O-N 3.34Å; Y845-F847 VanDerWaalsContact C-N 3.29Å; Y845-F847 PolarHBondContact O-N 2.81Å; F847-D849 PolarHBondContact O-N 3.31Å; F847-D849 VanDerWaalsContact O-N 3.09Å; F847-I850 HydrophobicContact CD1-CD1 4.29Å; F847-I850 PolarHBondContact O-N 2.98Å |
| 848 | T | 62.5 | Low | 68 | Low | 110 Ų | 110 | 93 Ų | 93 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18 | -173.3 | 33 | 0 | 0 | 0 | 0 | 114.8 | Y845 | Y845-T848 PolarHBondContact O-OG1 3.2Š|
| 849 | D | 58.4 | Low | 67.4 | Low | 148 Ų | 148 | 98 Ų | 98 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 0.2 | -175.9 | -74.1 | -25.1 | 0 | 0 | 0 | 116.1 | F847 | F847-D849 PolarHBondContact O-N 3.31Å; F847-D849 VanDerWaalsContact O-N 3.09Å |
| 850 | I | 55.5 | Low | 67.1 | Low | 74 Ų | 74 | 98.2 Ų | 98.2 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | trans | -104.9 | 88 | -173.3 | -57.9 | 157 | 0 | 0 | 0 | 110.8 | F847 | F847-I850 HydrophobicContact CD1-CD1 4.29Å; F847-I850 PolarHBondContact O-N 2.98Å | ||
| 851 | T | 51.8 | Low | 66.7 | Low | 118 Ų | 118 | 99.1 Ų | 99.1 | 72% | 0.724 | 53% | 0.526 | S | S | * | . | trans | -78.3 | 125.1 | 169.2 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | T853 | T851-T853 PolarHBondContact O-N 3.48Å; T851-T853 PolarHBondContact O-OG1 3.03Å | ||
| 852 | T | 51.9 | Low | 66.5 | Low | 140 Ų | 140 | 100.4 Ų | 100.4 | 86% | 0.859 | 53% | 0.531 | S | S | * | . | trans | -24.3 | 114.6 | 164.6 | 38.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 853 | T | 49.8 | Very low | 66.4 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | trans | -159.4 | 154.6 | 164 | -7.4 | 0 | 0 | 0 | 0 | 113.2 | T851 | T851-T853 PolarHBondContact O-N 3.48Å; T851-T853 PolarHBondContact O-OG1 3.03Å | ||
| 854 | D | 53.8 | Low | 66.5 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | trans | -65.6 | 145.4 | -143.7 | -72.8 | -57.1 | 0 | 0 | 0 | 119.9 | Q856 L857 | D854-Q856 PolarHBondContact O-N 2.74Å; D854-L857 PolarHBondContact O-N 3.45Å | ||
| 855 | S | 57.4 | Low | 66.7 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.5 | 174.5 | -170.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 856 | Q | 59.7 | Low | 67 | Low | 165 Ų | 165 | 101.4 Ų | 101.4 | 77% | 0.771 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.6 | -176.5 | -71.2 | -178.7 | -11.2 | 0 | 0 | 114.2 | D854 I858 | D854-Q856 PolarHBondContact O-N 2.74Å; Q856-I858 PolarHBondContact O-N 3.49Å |
| 857 | L | 66.4 | Low | 67.6 | Low | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -76.2 | -20.7 | -176.7 | -127.1 | 92.2 | 0 | 0 | 0 | 114 | D854 | D854-L857 PolarHBondContact O-N 3.45Å |
| 858 | I | 70.5 | Confident | 68.4 | Low | 43 Ų | 43 | 100.9 Ų | 100.9 | 22% | 0.221 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -73.9 | -39.4 | -173.6 | -75 | 173.2 | 0 | 0 | 0 | 112.3 | F532 Q856 V860 L861 Q862 | F532-I858 HydrophobicContact CB-CD1 4.24Å; Q856-I858 PolarHBondContact O-N 3.49Å; I858-V860 PolarHBondContact O-N 3.49Å; I858-L861 PolarHBondContact O-N 2.86Å; I858-Q862 PolarHBondContact O-N 3.44Å |
| 859 | D | 74 | Confident | 69.3 | Low | 110 Ų | 110 | 100.8 Ų | 100.8 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | -174.1 | -69 | -21.4 | 0 | 0 | 0 | 111.8 | L861 Q862 E863 | D859-L861 PolarHBondContact O-N 3.4Å; D859-Q862 PolarHBondContact O-N 3.48Å; D859-E863 PolarHBondContact O-N 3.03Å |
| 860 | V | 77.9 | Confident | 70.5 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 178.2 | -179 | 0 | 0 | 0 | 0 | 111.6 | I858 Q862 E863 | I858-V860 PolarHBondContact O-N 3.49Å; V860-Q862 VanDerWaalsContact C-N 3.27Å; V860-Q862 PolarHBondContact O-N 3.32Å; V860-E863 PolarHBondContact O-N 2.98Å |
| 861 | L | 78.4 | Confident | 71.8 | Confident | 20 Ų | 20 | 100.1 Ų | 100.1 | 11% | 0.105 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -66.8 | -27.8 | 178.4 | -69.9 | 172.3 | 0 | 0 | 0 | 112.3 | I525 K528 I529 I858 D859 R865 | I525-L861 HydrophobicContact CG2-CB 4.14Å; I525-L861 HydrophobicContact CG2-CD2 4.32Å; I525-L861 VanDerWaalsContact CG2-O 3.23Å; I525-L861 WeakPolarHBondContact CG2-O 3.39Å; K528-L861 HydrophobicContact CB-CD1 3.96Å; K528-L861 HydrophobicContact CD-CD1 4.48Å; K528-L861 HydrophobicContact CD-CD2 4.34Å; I529-L861 HydrophobicContact CD1-CB 3.98Å; I529-L861 HydrophobicContact CG1-CB 3.95Å; I529-L861 HydrophobicContact CG1-CD1 4.34Å; I858-L861 PolarHBondContact O-N 2.86Å; D859-L861 PolarHBondContact O-N 3.4Å; L861-R865 PolarHBondContact O-N 2.86Å |
| 862 | Q | 78.2 | Confident | 73.2 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.7 | -37.9 | 179.4 | -74.8 | -172 | 2 | 0 | 0 | 113.4 | I529 I858 D859 V860 K866 | I529-Q862 HydrophobicContact CD1-CG 4.06Å; I858-Q862 PolarHBondContact O-N 3.44Å; D859-Q862 PolarHBondContact O-N 3.48Å; V860-Q862 VanDerWaalsContact C-N 3.27Å; V860-Q862 PolarHBondContact O-N 3.32Å; Q862-K866 PolarHBondContact O-N 2.91Å |
| 863 | E | 80.4 | Confident | 74.7 | Confident | 138 Ų | 138 | 94.2 Ų | 94.2 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.1 | -44.6 | -178.9 | -147.1 | 72.2 | -144.1 | 0 | 0 | 111.1 | D859 V860 R865 K866 | D859-E863 PolarHBondContact O-N 3.03Å; V860-E863 PolarHBondContact O-N 2.98Å; E863-R865 PolarHBondContact O-N 3.01Å; E863-K866 WeakPolarHBondContact O-CB 3.36Å; E863-K866 PolarHBondContact O-N 2.97Å; E863-K866 VanDerWaalsContact O-N 3.14Å |
| 864 | E | 80.6 | Confident | 76.3 | Confident | 113 Ų | 113 | 92.8 Ų | 92.8 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | -179.3 | -159.3 | 173.1 | -146.7 | 0 | 0 | 111.6 | I525 K866 S867 | I525-E864 HydrophobicContact CD1-CB 4.11Å; I525-E864 HydrophobicContact CD1-CG 3.99Å; E864-K866 VanDerWaalsContact C-N 3.27Å; E864-K866 PolarHBondContact O-N 3.43Å; E864-S867 PolarHBondContact O-N 3.32Å; E864-S867 PolarHBondContact O-OG 2.91Å |
| 865 | R | 80.5 | Confident | 77.8 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 22% | 0.223 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -55.6 | -39.3 | 173.3 | -174.3 | -177.3 | 69.4 | 175.8 | -2.9 | 113.1 | I522 I525 D526 L861 E863 R869 | I522-R865 HydrophobicContact CG2-CG 4.48Å; I525-R865 HydrophobicContact CG2-CB 3.92Å; D526-R865 WeakPolarHBondContact OD1-CD 3.38Å; D526-R865 IonicContact OD1-CZ 3.78Å; D526-R865 IonicContact OD1-NE 3.84Å; D526-R865 IonicContact OD1-NH1 2.79Å; D526-R865 PolarHBondContact OD1-NH1 2.89Å; D526-R865 VanDerWaalsContact OD1-NH1 3.1Å; L861-R865 PolarHBondContact O-N 2.86Å; E863-R865 PolarHBondContact O-N 3.01Å; R865-R869 WeakPolarHBondContact O-CG 3.49Å; R865-R869 PolarHBondContact O-N 3.29Å |
| 866 | K | 82.7 | Confident | 78.8 | Confident | 135 Ų | 135 | 84.5 Ų | 84.5 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | -173.6 | -166.6 | 179.3 | 172 | -173.5 | 0 | 111.3 | Q862 E863 E864 | Q862-K866 PolarHBondContact O-N 2.91Å; E863-K866 WeakPolarHBondContact O-CB 3.36Å; E863-K866 PolarHBondContact O-N 2.97Å; E863-K866 VanDerWaalsContact O-N 3.14Å; E864-K866 VanDerWaalsContact C-N 3.27Å; E864-K866 PolarHBondContact O-N 3.43Å |
| 867 | S | 83 | Confident | 80 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.1 | -48.1 | -179.5 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | E864 R869 E870 | E864-S867 PolarHBondContact O-N 3.32Å; E864-S867 PolarHBondContact O-OG 2.91Å; S867-R869 VanDerWaalsContact C-N 3.31Å; S867-R869 PolarHBondContact O-N 2.8Å; S867-E870 PolarHBondContact O-N 2.88Å |
| 868 | L | 82.4 | Confident | 80.8 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -34.8 | -178.6 | -73 | 167.1 | 0 | 0 | 0 | 112.4 | L518 I522 I525 E870 T871 L872 | L518-L868 HydrophobicContact CD2-CD2 3.87Å; I522-L868 HydrophobicContact CD1-CB 3.93Å; I522-L868 HydrophobicContact CG1-CB 3.47Å; I522-L868 VanDerWaalsContact CG1-CB 3.47Å; I522-L868 HydrophobicContact CG1-CD1 4.28Å; I522-L868 HydrophobicContact CG1-CG 4.5Å; I525-L868 HydrophobicContact CD1-CD1 4.11Å; L868-E870 VanDerWaalsContact C-N 3.35Å; L868-E870 PolarHBondContact O-N 2.88Å; L868-T871 PolarHBondContact O-N 3.37Å; L868-T871 PolarHBondContact O-OG1 3.11Å; L868-L872 PolarHBondContact O-N 3.33Å |
| 869 | R | 82.5 | Confident | 81.4 | Confident | 108 Ų | 108 | 77.3 Ų | 77.3 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 178.6 | -80.8 | -178.9 | 176.9 | -175.6 | 0.1 | 112.9 | I522 D526 R865 S867 L872 L873 | I522-R869 HydrophobicContact CD1-CB 4.41Å; I522-R869 HydrophobicContact CD1-CG 3.77Å; I522-R869 HydrophobicContact CG1-CG 4.31Å; I522-R869 HydrophobicContact CG2-CG 4.16Å; D526-R869 VanDerWaalsContact CG-NH2 3.35Å; D526-R869 IonicContact OD1-NH2 2.93Å; D526-R869 PolarHBondContact OD1-NH2 3.48Å; D526-R869 VanDerWaalsContact OD1-NH2 3.16Å; D526-R869 IonicContact OD2-CZ 3.2Å; D526-R869 IonicContact OD2-NE 3.41Å; D526-R869 IonicContact OD2-NH2 3.45Å; D526-R869 PolarHBondContact OD2-NH2 3.48Å; R865-R869 WeakPolarHBondContact O-CG 3.49Å; R865-R869 PolarHBondContact O-N 3.29Å; S867-R869 VanDerWaalsContact C-N 3.31Å; S867-R869 PolarHBondContact O-N 2.8Å; R869-L872 PolarHBondContact O-N 3.11Å; R869-L873 WeakPolarHBondContact O-CB 3.42Å; R869-L873 PolarHBondContact O-N 3.33Å |
| 870 | E | 83 | Confident | 81.6 | Confident | 139 Ų | 139 | 75.8 Ų | 75.8 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 177.6 | -81.1 | -177.3 | 161.5 | 0 | 0 | 112.1 | S867 L868 L873 T874 | S867-E870 PolarHBondContact O-N 2.88Å; L868-E870 VanDerWaalsContact C-N 3.35Å; L868-E870 PolarHBondContact O-N 2.88Å; E870-L873 PolarHBondContact O-N 2.96Å; E870-T874 PolarHBondContact O-N 3.3Å; E870-T874 PolarHBondContact O-OG1 2.9Å |
| 871 | T | 82.6 | Confident | 81.9 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 175 | 38.9 | 0 | 0 | 0 | 0 | 113.3 | L868 L873 T874 L875 | L868-T871 PolarHBondContact O-N 3.37Å; L868-T871 PolarHBondContact O-OG1 3.11Å; T871-L873 VanDerWaalsContact C-N 3.34Å; T871-T874 PolarHBondContact O-OG1 3.36Å; T871-L875 PolarHBondContact O-N 3.32Å |
| 872 | L | 82.5 | Confident | 82.1 | Confident | 30 Ų | 30 | 79 Ų | 79 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.6 | -158.9 | 100.1 | 0 | 0 | 0 | 112.4 | L518 E519 I522 L868 R869 S876 | L518-L872 HydrophobicContact CB-CD1 3.48Å; L518-L872 VanDerWaalsContact CB-CD1 3.48Å; E519-L872 HydrophobicContact CB-CD1 4.02Å; E519-L872 HydrophobicContact CG-CD1 3.3Å; E519-L872 HydrophobicContact CG-CD2 3.95Å; E519-L872 HydrophobicContact CG-CG 4.09Å; I522-L872 HydrophobicContact CD1-CB 3.97Å; I522-L872 HydrophobicContact CD1-CD1 3.83Å; I522-L872 HydrophobicContact CD1-CD2 4.27Å; I522-L872 HydrophobicContact CD1-CG 4.24Å; L868-L872 PolarHBondContact O-N 3.33Å; R869-L872 PolarHBondContact O-N 3.11Å; L872-S876 VanDerWaalsContact O-CB 3.26Å; L872-S876 WeakPolarHBondContact O-CB 3.43Å; L872-S876 PolarHBondContact O-N 3.47Å; L872-S876 PolarHBondContact O-OG 3.07Å; L872-S876 VanDerWaalsContact O-OG 3.12Å |
| 873 | L | 82.6 | Confident | 82.1 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 55% | 0.55 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | -175.2 | -170.7 | 76.6 | 0 | 0 | 0 | 110.8 | R869 E870 T871 S876 Q877 | R869-L873 WeakPolarHBondContact O-CB 3.42Å; R869-L873 PolarHBondContact O-N 3.33Å; E870-L873 PolarHBondContact O-N 2.96Å; T871-L873 VanDerWaalsContact C-N 3.34Å; L873-S876 PolarHBondContact O-N 2.87Å; L873-Q877 VanDerWaalsContact O-CG 3.28Å; L873-Q877 WeakPolarHBondContact O-CG 3.48Å; L873-Q877 PolarHBondContact O-N 3.36Å |
| 874 | T | 83.6 | Confident | 82.1 | Confident | 86 Ų | 86 | 77 Ų | 77 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | -179 | 39.8 | 0 | 0 | 0 | 0 | 112.2 | E870 T871 Q877 T878 | E870-T874 PolarHBondContact O-N 3.3Å; E870-T874 PolarHBondContact O-OG1 2.9Å; T871-T874 PolarHBondContact O-OG1 3.36Å; T874-Q877 PolarHBondContact O-N 2.99Å; T874-T878 PolarHBondContact O-N 3.17Å; T874-T878 PolarHBondContact O-OG1 3.34Å |
| 875 | L | 84.2 | Confident | 82.3 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 17% | 0.173 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 178.5 | -172.9 | 68.9 | 0 | 0 | 0 | 112.7 | K514 K515 T871 Q877 T878 I879 | K514-L875 VanDerWaalsContact C-CD2 3.49Å; K514-L875 HydrophobicContact CB-CD2 3.49Å; K514-L875 VanDerWaalsContact CB-CD2 3.49Å; K515-L875 HydrophobicContact CB-CD2 3.87Å; K515-L875 HydrophobicContact CB-CG 4.47Å; T871-L875 PolarHBondContact O-N 3.32Å; L875-Q877 VanDerWaalsContact C-N 3.32Å; L875-Q877 PolarHBondContact O-N 2.73Å; L875-T878 PolarHBondContact O-N 2.74Å; L875-T878 PolarHBondContact O-OG1 3.38Å; L875-I879 HydrophobicContact CG-CD1 4.33Å; L875-I879 PolarHBondContact O-N 3.13Å |
| 876 | S | 78.8 | Confident | 82.3 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 174.4 | -76.4 | 0 | 0 | 0 | 0 | 111.2 | K515 L872 L873 T878 I879 D880 | K515-S876 WeakPolarHBondContact CD-OG 3.45Å; K515-S876 WeakPolarHBondContact CE-OG 3.34Å; K515-S876 PolarHBondContact NZ-OG 3.39Å; K515-S876 VanDerWaalsContact NZ-OG 3.12Å; L872-S876 VanDerWaalsContact O-CB 3.26Å; L872-S876 WeakPolarHBondContact O-CB 3.43Å; L872-S876 PolarHBondContact O-N 3.47Å; L872-S876 PolarHBondContact O-OG 3.07Å; L872-S876 VanDerWaalsContact O-OG 3.12Å; L873-S876 PolarHBondContact O-N 2.87Å; S876-T878 PolarHBondContact O-N 3.32Å; S876-I879 PolarHBondContact O-N 3.19Å; S876-D880 WeakPolarHBondContact O-CB 3.48Å; S876-D880 PolarHBondContact O-N 3.47Å |
| 877 | Q | 84.1 | Confident | 82 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.2 | -37.9 | 177.8 | -77.5 | 172.8 | -4.2 | 0 | 0 | 112.5 | L873 T874 L875 Q881 | L873-Q877 VanDerWaalsContact O-CG 3.28Å; L873-Q877 WeakPolarHBondContact O-CG 3.48Å; L873-Q877 PolarHBondContact O-N 3.36Å; T874-Q877 PolarHBondContact O-N 2.99Å; L875-Q877 VanDerWaalsContact C-N 3.32Å; L875-Q877 PolarHBondContact O-N 2.73Å; Q877-Q881 VanDerWaalsContact O-CG 3.29Å; Q877-Q881 WeakPolarHBondContact O-CG 3.29Å; Q877-Q881 PolarHBondContact O-N 3.48Å |
| 878 | T | 84 | Confident | 81.9 | Confident | 57 Ų | 57 | 73.7 Ų | 73.7 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73 | -39 | -179.9 | -18.1 | 0 | 0 | 0 | 0 | 112.7 | T874 L875 S876 K882 | T874-T878 PolarHBondContact O-N 3.17Å; T874-T878 PolarHBondContact O-OG1 3.34Å; L875-T878 PolarHBondContact O-N 2.74Å; L875-T878 PolarHBondContact O-OG1 3.38Å; S876-T878 PolarHBondContact O-N 3.32Å; T878-K882 PolarHBondContact O-N 3.38Å |
| 879 | I | 82.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 175.9 | -66.5 | 163.7 | 0 | 0 | 0 | 109.7 | S511 L512 K515 L875 S876 Q881 K882 Q883 | S511-I879 VanDerWaalsContact C-CD1 3.48Å; S511-I879 WeakPolarHBondContact O-CD1 3.26Å; L512-I879 HydrophobicContact CD2-CD1 4.26Å; L512-I879 HydrophobicContact CD2-CG2 3.98Å; L512-I879 HydrophobicContact CG-CD1 4.38Å; L512-I879 HydrophobicContact CG-CG2 4.14Å; K515-I879 HydrophobicContact CB-CD1 3.71Å; K515-I879 HydrophobicContact CD-CD1 3.7Å; K515-I879 HydrophobicContact CG-CD1 4.31Å; L875-I879 HydrophobicContact CG-CD1 4.33Å; L875-I879 PolarHBondContact O-N 3.13Å; S876-I879 PolarHBondContact O-N 3.19Å; I879-Q881 PolarHBondContact O-N 3.17Å; I879-K882 PolarHBondContact O-N 3.44Å; I879-Q883 WeakPolarHBondContact O-CB 3.14Å; I879-Q883 PolarHBondContact O-N 2.96Å |
| 880 | D | 79.4 | Confident | 81.7 | Confident | 79 Ų | 79 | 70 Ų | 70 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.4 | -40.3 | -178.5 | -133.9 | 44 | 0 | 0 | 0 | 111.3 | S876 K884 | S876-D880 WeakPolarHBondContact O-CB 3.48Å; S876-D880 PolarHBondContact O-N 3.47Å; D880-K884 WeakPolarHBondContact O-CB 3.39Å; D880-K884 WeakPolarHBondContact O-CD 3.14Å; D880-K884 WeakPolarHBondContact O-CG 3.18Å; D880-K884 PolarHBondContact O-N 2.85Å; D880-K884 VanDerWaalsContact OD2-CE 3.26Å; D880-K884 WeakPolarHBondContact OD2-CE 3.39Å; D880-K884 IonicContact OD2-NZ 2.81Å; D880-K884 PolarHBondContact OD2-NZ 3.23Å |
| 881 | Q | 83.9 | Confident | 81.6 | Confident | 140 Ų | 140 | 68.7 Ų | 68.7 | 65% | 0.654 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 175.2 | -76.5 | 174.3 | -2.9 | 0 | 0 | 112.6 | Q877 I879 R885 | Q877-Q881 VanDerWaalsContact O-CG 3.29Å; Q877-Q881 WeakPolarHBondContact O-CG 3.29Å; Q877-Q881 PolarHBondContact O-N 3.48Å; I879-Q881 PolarHBondContact O-N 3.17Å; Q881-R885 PolarHBondContact O-N 3.05Å |
| 882 | K | 82.9 | Confident | 81.4 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.6 | -42.4 | 179.9 | -66.2 | 177.7 | -177.4 | 172.6 | 0 | 112.2 | L504 S507 I508 T878 I879 R885 V886 | L504-K882 HydrophobicContact CD2-CB 4.01Å; L504-K882 HydrophobicContact CD2-CG 4.19Å; S507-K882 PolarHBondContact OG-NZ 3.3Å; I508-K882 HydrophobicContact CD1-CB 3.87Å; I508-K882 HydrophobicContact CG1-CB 3.43Å; I508-K882 VanDerWaalsContact CG1-CB 3.43Å; I508-K882 HydrophobicContact CG1-CD 4.29Å; T878-K882 PolarHBondContact O-N 3.38Å; I879-K882 PolarHBondContact O-N 3.44Å; K882-R885 WeakPolarHBondContact O-CB 3.39Å; K882-R885 PolarHBondContact O-N 2.82Å; K882-R885 VanDerWaalsContact O-N 3.17Å; K882-V886 PolarHBondContact O-N 2.71Å |
| 883 | Q | 78.5 | Confident | 81.2 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.4 | -140.5 | 104.6 | 15.1 | 0 | 0 | 110.9 | I508 I879 R885 V886 D887 | I508-Q883 HydrophobicContact CD1-CB 4.45Å; I879-Q883 WeakPolarHBondContact O-CB 3.14Å; I879-Q883 PolarHBondContact O-N 2.96Å; Q883-R885 PolarHBondContact O-N 2.99Å; Q883-V886 WeakPolarHBondContact O-CB 3.48Å; Q883-V886 PolarHBondContact O-N 2.86Å; Q883-D887 PolarHBondContact O-N 3.36Å |
| 884 | K | 80.8 | Confident | 81.1 | Confident | 108 Ų | 108 | 72.6 Ų | 72.6 | 47% | 0.47 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.5 | -40.2 | 174 | -80.5 | 169.9 | -172.1 | 160.6 | 0 | 112 | D880 Q888 | D880-K884 WeakPolarHBondContact O-CB 3.39Å; D880-K884 WeakPolarHBondContact O-CD 3.14Å; D880-K884 WeakPolarHBondContact O-CG 3.18Å; D880-K884 PolarHBondContact O-N 2.85Å; D880-K884 VanDerWaalsContact OD2-CE 3.26Å; D880-K884 WeakPolarHBondContact OD2-CE 3.39Å; D880-K884 IonicContact OD2-NZ 2.81Å; D880-K884 PolarHBondContact OD2-NZ 3.23Å; K884-Q888 VanDerWaalsContact O-CB 3.26Å; K884-Q888 WeakPolarHBondContact O-CB 3.48Å; K884-Q888 VanDerWaalsContact O-CD 3.29Å; K884-Q888 WeakPolarHBondContact O-CG 3.21Å; K884-Q888 PolarHBondContact O-N 3Å |
| 885 | R | 83.3 | Confident | 81 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 178.5 | -172.5 | 60.8 | 176.7 | 151.6 | 4.9 | 112.2 | E500 L504 Q881 K882 Q883 L889 | E500-R885 IonicContact OE1-CZ 3.93Å; E500-R885 IonicContact OE1-NE 3.65Å; E500-R885 PolarHBondContact OE1-NE 2.93Å; E500-R885 IonicContact OE1-NH2 2.81Å; E500-R885 PolarHBondContact OE1-NH2 2.66Å; E500-R885 VanDerWaalsContact OE1-NH2 3.14Å; E500-R885 IonicContact OE2-CZ 3.42Å; E500-R885 IonicContact OE2-NE 3.31Å; E500-R885 IonicContact OE2-NH2 2.74Å; E500-R885 PolarHBondContact OE2-NH2 2.97Å; L504-R885 HydrophobicContact CD1-CB 4.02Å; L504-R885 HydrophobicContact CD1-CG 3.45Å; L504-R885 VanDerWaalsContact CD1-CG 3.45Å; L504-R885 HydrophobicContact CD2-CB 4.31Å; L504-R885 HydrophobicContact CD2-CG 4.42Å; Q881-R885 PolarHBondContact O-N 3.05Å; K882-R885 WeakPolarHBondContact O-CB 3.39Å; K882-R885 PolarHBondContact O-N 2.82Å; K882-R885 VanDerWaalsContact O-N 3.17Å; Q883-R885 PolarHBondContact O-N 2.99Å; R885-L889 WeakPolarHBondContact O-CG 3.44Å; R885-L889 PolarHBondContact O-N 3.46Å |
| 886 | V | 80.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 176.2 | 168.5 | 0 | 0 | 0 | 0 | 112 | L504 H505 I508 K882 Q883 Q888 L889 N890 | L504-V886 HydrophobicContact CB-CG2 3.53Å; L504-V886 HydrophobicContact CD1-CG2 4.3Å; L504-V886 HydrophobicContact CG-CG2 4.4Å; H505-V886 WeakPolarHBondContact NE2-CG1 3.1Å; I508-V886 HydrophobicContact CD1-CB 4.4Å; I508-V886 HydrophobicContact CD1-CG2 3.65Å; K882-V886 PolarHBondContact O-N 2.71Å; Q883-V886 WeakPolarHBondContact O-CB 3.48Å; Q883-V886 PolarHBondContact O-N 2.86Å; V886-Q888 VanDerWaalsContact C-N 3.31Å; V886-Q888 PolarHBondContact O-N 2.92Å; V886-L889 PolarHBondContact O-N 2.75Å; V886-N890 PolarHBondContact O-N 2.88Å; V886-N890 PolarHBondContact O-ND2 3.34Å |
| 887 | D | 77 | Confident | 80.9 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 179.4 | -69.8 | -26.7 | 0 | 0 | 0 | 110.5 | Q883 L889 N890 Q891 | Q883-D887 PolarHBondContact O-N 3.36Å; D887-L889 VanDerWaalsContact C-N 3.34Å; D887-L889 PolarHBondContact O-N 2.68Å; D887-N890 PolarHBondContact O-N 3.49Å; D887-Q891 WeakPolarHBondContact O-CA 3.25Å; D887-Q891 WeakPolarHBondContact O-CB 3.37Å; D887-Q891 PolarHBondContact O-N 2.91Å |
| 888 | Q | 81.4 | Confident | 80.7 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 52% | 0.523 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 173.3 | -79.3 | 166.6 | 6.7 | 0 | 0 | 112.5 | K884 V886 A892 | K884-Q888 VanDerWaalsContact O-CB 3.26Å; K884-Q888 WeakPolarHBondContact O-CB 3.48Å; K884-Q888 VanDerWaalsContact O-CD 3.29Å; K884-Q888 WeakPolarHBondContact O-CG 3.21Å; K884-Q888 PolarHBondContact O-N 3Å; V886-Q888 VanDerWaalsContact C-N 3.31Å; V886-Q888 PolarHBondContact O-N 2.92Å; Q888-A892 VanDerWaalsContact O-CB 3.31Å; Q888-A892 WeakPolarHBondContact O-CB 3.26Å; Q888-A892 PolarHBondContact O-N 3.33Å |
| 889 | L | 80.7 | Confident | 80.7 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.4 | -45.5 | -178.5 | -68.8 | 171.1 | 0 | 0 | 0 | 112 | E500 L501 R885 V886 D887 Q891 A892 Q893 | E500-L889 HydrophobicContact CB-CD1 4.34Å; E500-L889 HydrophobicContact CG-CD1 4.46Å; L501-L889 HydrophobicContact CD1-CB 3.51Å; L501-L889 HydrophobicContact CD1-CD1 3.97Å; L501-L889 HydrophobicContact CD1-CG 4.4Å; R885-L889 WeakPolarHBondContact O-CG 3.44Å; R885-L889 PolarHBondContact O-N 3.46Å; V886-L889 PolarHBondContact O-N 2.75Å; D887-L889 VanDerWaalsContact C-N 3.34Å; D887-L889 PolarHBondContact O-N 2.68Å; L889-Q891 PolarHBondContact O-N 2.71Å; L889-A892 PolarHBondContact O-N 3Å; L889-Q893 PolarHBondContact O-N 2.88Å |
| 890 | N | 78.9 | Confident | 80.8 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 20% | 0.198 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -37.5 | 177.4 | -83.5 | -47.4 | 0 | 0 | 0 | 112.7 | V886 D887 Q893 R894 | V886-N890 PolarHBondContact O-N 2.88Å; V886-N890 PolarHBondContact O-ND2 3.34Å; D887-N890 PolarHBondContact O-N 3.49Å; N890-Q893 PolarHBondContact O-N 3.46Å; N890-R894 WeakPolarHBondContact O-CG 3.14Å; N890-R894 PolarHBondContact O-N 2.97Å; N890-R894 VanDerWaalsContact O-N 3.12Å |
| 891 | Q | 80.4 | Confident | 81 | Confident | 111 Ų | 111 | 75.9 Ų | 75.9 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 178.1 | -177.1 | 136.4 | -3.1 | 0 | 0 | 110.8 | D887 L889 Q893 R894 E895 | D887-Q891 WeakPolarHBondContact O-CA 3.25Å; D887-Q891 WeakPolarHBondContact O-CB 3.37Å; D887-Q891 PolarHBondContact O-N 2.91Å; L889-Q891 PolarHBondContact O-N 2.71Å; Q891-Q893 PolarHBondContact O-N 3.43Å; Q891-R894 PolarHBondContact O-N 2.74Å; Q891-E895 VanDerWaalsContact CG-CD 3.48Å; Q891-E895 HydrophobicContact CG-CG 4.05Å; Q891-E895 WeakPolarHBondContact CG-OE1 3.35Å; Q891-E895 PolarHBondContact NE2-OE1 3.39Å; Q891-E895 WeakPolarHBondContact O-CB 3.34Å; Q891-E895 VanDerWaalsContact O-CG 3.27Å; Q891-E895 WeakPolarHBondContact O-CG 3.34Å; Q891-E895 PolarHBondContact O-N 2.9Å |
| 892 | A | 79.7 | Confident | 81.1 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.3 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L495 Q888 L889 A896 | L495-A892 HydrophobicContact CD1-CB 4.34Å; Q888-A892 VanDerWaalsContact O-CB 3.31Å; Q888-A892 WeakPolarHBondContact O-CB 3.26Å; Q888-A892 PolarHBondContact O-N 3.33Å; L889-A892 PolarHBondContact O-N 3Å; A892-A896 WeakPolarHBondContact O-CB 3.23Å; A892-A896 PolarHBondContact O-N 3.42Å; A892-A896 VanDerWaalsContact O-N 3.11Å |
| 893 | Q | 78.3 | Confident | 81.2 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 178.7 | -162.6 | -174.1 | 15.9 | 0 | 0 | 112.7 | L495 N496 L889 N890 Q891 V897 | L495-Q893 HydrophobicContact CB-CG 4.47Å; N496-Q893 PolarHBondContact OD1-NE2 3.33Å; L889-Q893 PolarHBondContact O-N 2.88Å; N890-Q893 PolarHBondContact O-N 3.46Å; Q891-Q893 PolarHBondContact O-N 3.43Å; Q893-V897 WeakPolarHBondContact O-CG2 3.25Å; Q893-V897 PolarHBondContact O-N 2.95Å |
| 894 | R | 80.5 | Confident | 81.4 | Confident | 187 Ų | 187 | 74 Ų | 74 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72.4 | -39.6 | 179.2 | -68.8 | -178 | -161.9 | 179.2 | 6.9 | 112.8 | N890 Q891 A896 V897 S898 | N890-R894 WeakPolarHBondContact O-CG 3.14Å; N890-R894 PolarHBondContact O-N 2.97Å; N890-R894 VanDerWaalsContact O-N 3.12Å; Q891-R894 PolarHBondContact O-N 2.74Å; R894-A896 VanDerWaalsContact C-N 3.33Å; R894-V897 PolarHBondContact O-N 2.89Å; R894-S898 WeakPolarHBondContact O-CB 3.45Å; R894-S898 PolarHBondContact O-N 3.37Å |
| 895 | E | 80.1 | Confident | 81.3 | Confident | 108 Ų | 108 | 73.8 Ų | 73.8 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.5 | -75.2 | 175.2 | 175.8 | 0 | 0 | 110.6 | Q891 V897 S898 E899 | Q891-E895 VanDerWaalsContact CG-CD 3.48Å; Q891-E895 HydrophobicContact CG-CG 4.05Å; Q891-E895 WeakPolarHBondContact CG-OE1 3.35Å; Q891-E895 PolarHBondContact NE2-OE1 3.39Å; Q891-E895 WeakPolarHBondContact O-CB 3.34Å; Q891-E895 VanDerWaalsContact O-CG 3.27Å; Q891-E895 WeakPolarHBondContact O-CG 3.34Å; Q891-E895 PolarHBondContact O-N 2.9Å; E895-V897 VanDerWaalsContact C-N 3.33Å; E895-V897 PolarHBondContact O-N 2.85Å; E895-S898 PolarHBondContact O-N 2.91Å; E895-E899 VanDerWaalsContact O-CB 3.25Å; E895-E899 WeakPolarHBondContact O-CB 3.47Å; E895-E899 PolarHBondContact O-N 2.99Å |
| 896 | A | 81.2 | Confident | 81.3 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S488 T491 V492 L495 A892 R894 M900 | S488-A896 PolarHBondContact OG-O 3.45Å; T491-A896 HydrophobicContact CG2-CB 4.39Å; V492-A896 VanDerWaalsContact CG2-C 3.41Å; V492-A896 HydrophobicContact CG2-CB 3.64Å; V492-A896 WeakPolarHBondContact CG2-O 3.28Å; L495-A896 HydrophobicContact CD1-CB 4.05Å; A892-A896 WeakPolarHBondContact O-CB 3.23Å; A892-A896 PolarHBondContact O-N 3.42Å; A892-A896 VanDerWaalsContact O-N 3.11Å; R894-A896 VanDerWaalsContact C-N 3.33Å; A896-M900 PolarHBondContact O-N 3.4Å |
| 897 | V | 81 | Confident | 81.6 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 34% | 0.339 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.3 | -43.9 | 179.4 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | V492 Q893 R894 E895 E899 M900 H901 | V492-V897 HydrophobicContact CB-CG2 4.48Å; V492-V897 HydrophobicContact CG1-CG2 3.71Å; V492-V897 HydrophobicContact CG2-CG2 3.87Å; Q893-V897 WeakPolarHBondContact O-CG2 3.25Å; Q893-V897 PolarHBondContact O-N 2.95Å; R894-V897 PolarHBondContact O-N 2.89Å; E895-V897 VanDerWaalsContact C-N 3.33Å; E895-V897 PolarHBondContact O-N 2.85Å; V897-E899 VanDerWaalsContact C-N 3.29Å; V897-E899 PolarHBondContact O-N 3.28Å; V897-M900 PolarHBondContact O-N 3.45Å; V897-H901 PolarHBondContact O-CD2 3.48Å; V897-H901 PolarHBondContact O-N 2.98Å |
| 898 | S | 80.5 | Confident | 81.7 | Confident | 77 Ų | 77 | 75 Ų | 75 | 54% | 0.538 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | R894 E895 H901 R902 | R894-S898 WeakPolarHBondContact O-CB 3.45Å; R894-S898 PolarHBondContact O-N 3.37Å; E895-S898 PolarHBondContact O-N 2.91Å; S898-H901 PolarHBondContact O-N 3.24Å; S898-R902 WeakPolarHBondContact O-CB 3.49Å; S898-R902 PolarHBondContact O-N 3.41Å |
| 899 | E | 82.6 | Confident | 81.7 | Confident | 64 Ų | 64 | 76.4 Ų | 76.4 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | -179 | -174.3 | 57.6 | -166.9 | 0 | 0 | 111.7 | E895 V897 H901 R902 L903 | E895-E899 VanDerWaalsContact O-CB 3.25Å; E895-E899 WeakPolarHBondContact O-CB 3.47Å; E895-E899 PolarHBondContact O-N 2.99Å; V897-E899 VanDerWaalsContact C-N 3.29Å; V897-E899 PolarHBondContact O-N 3.28Å; E899-H901 VanDerWaalsContact C-N 3.34Å; E899-H901 PolarHBondContact O-N 2.98Å; E899-R902 PolarHBondContact O-N 2.89Å; E899-R902 IonicContact OE1-CZ 3.37Å; E899-R902 IonicContact OE1-NE 3.47Å; E899-R902 PolarHBondContact OE1-NE 3.19Å; E899-R902 IonicContact OE1-NH2 3.44Å; E899-R902 PolarHBondContact OE1-NH2 3.33Å; E899-R902 IonicContact OE2-CZ 3.54Å; E899-R902 IonicContact OE2-NE 3.13Å; E899-R902 PolarHBondContact OE2-NE 2.97Å; E899-R902 IonicContact OE2-NH2 3.88Å; E899-R902 PolarHBondContact OE2-NH2 3.22Å; E899-L903 HydrophobicContact CG-CD1 3.86Å; E899-L903 HydrophobicContact CG-CG 4.47Å; E899-L903 VanDerWaalsContact O-CG 3.29Å; E899-L903 WeakPolarHBondContact O-CG 3.34Å; E899-L903 PolarHBondContact O-N 3.43Å |
| 900 | M | 85.6 | Confident | 81.8 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 18% | 0.177 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57 | -46.3 | 175.8 | -174.1 | -164.8 | 67.7 | 0 | 0 | 111.7 | F485 S488 E489 A896 V897 K904 | F485-M900 HydrophobicContact CD2-CG 4.25Å; F485-M900 VanDerWaalsContact CD2-O 3.27Å; F485-M900 WeakPolarHBondContact CD2-O 3.45Å; F485-M900 HydrophobicContact CE2-CG 3.73Å; F485-M900 VanDerWaalsContact CE2-O 3.28Å; F485-M900 WeakPolarHBondContact CE2-O 3.46Å; F485-M900 HydrophobicContact CZ-CG 4.46Å; S488-M900 WeakPolarHBondContact OG-CA 3.43Å; S488-M900 WeakPolarHBondContact OG-CB 3.29Å; S488-M900 PolarHBondContact OG-N 2.81Å; S488-M900 VanDerWaalsContact OG-N 3.09Å; E489-M900 HydrophobicContact CB-SD 4.34Å; E489-M900 HydrophobicContact CG-SD 4.27Å; A896-M900 PolarHBondContact O-N 3.4Å; V897-M900 PolarHBondContact O-N 3.45Å; M900-K904 PolarHBondContact O-N 3.48Å |
| 901 | H | 83 | Confident | 81.8 | Confident | 106 Ų | 106 | 78.2 Ų | 78.2 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 178.8 | -77.9 | -64.2 | 0 | 0 | 0 | 112.8 | V897 S898 E899 L903 K904 D905 | V897-H901 PolarHBondContact O-CD2 3.48Å; V897-H901 PolarHBondContact O-N 2.98Å; S898-H901 PolarHBondContact O-N 3.24Å; E899-H901 VanDerWaalsContact C-N 3.34Å; E899-H901 PolarHBondContact O-N 2.98Å; H901-L903 VanDerWaalsContact C-N 3.34Å; H901-L903 PolarHBondContact O-N 3.44Å; H901-K904 PolarHBondContact O-N 2.95Å; H901-D905 PolarHBondContact O-N 2.97Å |
| 902 | R | 86.1 | Confident | 81.8 | Confident | 107 Ų | 107 | 79.8 Ų | 79.8 | 40% | 0.404 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 178 | -172.5 | -173.7 | 77.1 | 91.1 | 11.9 | 111.8 | S898 E899 K904 D905 Q906 | S898-R902 WeakPolarHBondContact O-CB 3.49Å; S898-R902 PolarHBondContact O-N 3.41Å; E899-R902 PolarHBondContact O-N 2.89Å; E899-R902 IonicContact OE1-CZ 3.37Å; E899-R902 IonicContact OE1-NE 3.47Å; E899-R902 PolarHBondContact OE1-NE 3.19Å; E899-R902 IonicContact OE1-NH2 3.44Å; E899-R902 PolarHBondContact OE1-NH2 3.33Å; E899-R902 IonicContact OE2-CZ 3.54Å; E899-R902 IonicContact OE2-NE 3.13Å; E899-R902 PolarHBondContact OE2-NE 2.97Å; E899-R902 IonicContact OE2-NH2 3.88Å; E899-R902 PolarHBondContact OE2-NH2 3.22Å; R902-K904 VanDerWaalsContact C-N 3.34Å; R902-D905 PolarHBondContact O-N 2.95Å; R902-Q906 WeakPolarHBondContact O-CG 3.24Å; R902-Q906 PolarHBondContact O-N 3.45Å |
| 903 | L | 85.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.1 | -36.4 | -178.3 | -69.1 | 166.7 | 0 | 0 | 0 | 111.8 | V481 E484 F485 E899 H901 Q906 L907 | V481-L903 HydrophobicContact CG1-CB 4.48Å; V481-L903 HydrophobicContact CG1-CD2 4.27Å; V481-L903 VanDerWaalsContact CG1-O 3.23Å; V481-L903 WeakPolarHBondContact CG1-O 3.45Å; E484-L903 HydrophobicContact CB-CD1 3.77Å; E484-L903 HydrophobicContact CB-CD2 3.83Å; E484-L903 HydrophobicContact CB-CG 4.42Å; E484-L903 VanDerWaalsContact OE2-CD2 3.29Å; E484-L903 WeakPolarHBondContact OE2-CD2 3.26Å; F485-L903 HydrophobicContact CB-CB 3.97Å; F485-L903 HydrophobicContact CD2-CB 4.12Å; E899-L903 HydrophobicContact CG-CD1 3.86Å; E899-L903 HydrophobicContact CG-CG 4.47Å; E899-L903 VanDerWaalsContact O-CG 3.29Å; E899-L903 WeakPolarHBondContact O-CG 3.34Å; E899-L903 PolarHBondContact O-N 3.43Å; H901-L903 VanDerWaalsContact C-N 3.34Å; H901-L903 PolarHBondContact O-N 3.44Å; L903-Q906 PolarHBondContact O-N 2.94Å; L903-L907 PolarHBondContact O-N 3.5Å; L903-L907 VanDerWaalsContact O-N 3.12Å |
| 904 | K | 81.5 | Confident | 81.8 | Confident | 108 Ų | 108 | 81.8 Ų | 81.8 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176 | -167.1 | 174.8 | -179 | 175.4 | 0 | 112.9 | F485 M900 H901 R902 Q906 L907 | F485-K904 HydrophobicContact CD2-CB 3.98Å; F485-K904 HydrophobicContact CE2-CB 3.65Å; F485-K904 HydrophobicContact CE2-CD 4.21Å; F485-K904 HydrophobicContact CE2-CG 4.13Å; F485-K904 HydrophobicContact CZ-CB 4.38Å; F485-K904 HydrophobicContact CZ-CD 4.25Å; F485-K904 HydrophobicContact CZ-CG 4.38Å; M900-K904 PolarHBondContact O-N 3.48Å; H901-K904 PolarHBondContact O-N 2.95Å; R902-K904 VanDerWaalsContact C-N 3.34Å; K904-Q906 VanDerWaalsContact C-N 3.33Å; K904-L907 PolarHBondContact O-N 3.36Å |
| 905 | D | 79.9 | Confident | 81.7 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.6 | -33.6 | 180 | -78.4 | -8.8 | 0 | 0 | 0 | 112.4 | H901 R902 K909 | H901-D905 PolarHBondContact O-N 2.97Å; R902-D905 PolarHBondContact O-N 2.95Å; D905-K909 PolarHBondContact O-N 3.38Å |
| 906 | Q | 82.5 | Confident | 81.7 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.6 | -77.1 | 179.5 | -3.6 | 0 | 0 | 112.2 | V481 R902 L903 K904 H908 K909 L910 | V481-Q906 HydrophobicContact CG1-CB 3.94Å; R902-Q906 WeakPolarHBondContact O-CG 3.24Å; R902-Q906 PolarHBondContact O-N 3.45Å; L903-Q906 PolarHBondContact O-N 2.94Å; K904-Q906 VanDerWaalsContact C-N 3.33Å; Q906-H908 VanDerWaalsContact C-N 3.34Å; Q906-H908 PolarHBondContact O-N 3.26Å; Q906-K909 PolarHBondContact O-N 3.47Å; Q906-L910 WeakPolarHBondContact O-CG 3.32Å; Q906-L910 PolarHBondContact O-N 2.8Å |
| 907 | L | 86 | Confident | 81.6 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | -178.7 | -177.6 | 57.9 | 0 | 0 | 0 | 112.2 | I478 V481 K482 L903 K904 K909 L910 Q911 | I478-L907 HydrophobicContact CG2-CD1 4Å; V481-L907 HydrophobicContact CG1-CB 3.98Å; K482-L907 HydrophobicContact CG-CD1 3.69Å; K482-L907 HydrophobicContact CG-CD2 3.59Å; K482-L907 HydrophobicContact CG-CG 4.31Å; L903-L907 PolarHBondContact O-N 3.5Å; L903-L907 VanDerWaalsContact O-N 3.12Å; K904-L907 PolarHBondContact O-N 3.36Å; L907-K909 PolarHBondContact O-N 3.01Å; L907-L910 PolarHBondContact O-N 3.46Å; L907-Q911 PolarHBondContact O-N 3.27Å |
| 908 | H | 79.3 | Confident | 81.5 | Confident | 126 Ų | 126 | 79.5 Ų | 79.5 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 179.4 | -95.7 | -66.3 | 0 | 0 | 0 | 113.2 | Q906 | Q906-H908 VanDerWaalsContact C-N 3.34Å; Q906-H908 PolarHBondContact O-N 3.26Å |
| 909 | K | 81.5 | Confident | 81.5 | Confident | 142 Ų | 142 | 81.8 Ų | 81.8 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 179.8 | -72.2 | 175.3 | -179.1 | 173.6 | 0 | 111.9 | D905 Q906 L907 Q911 Q912 E913 | D905-K909 PolarHBondContact O-N 3.38Å; Q906-K909 PolarHBondContact O-N 3.47Å; L907-K909 PolarHBondContact O-N 3.01Å; K909-Q911 VanDerWaalsContact C-N 3.33Å; K909-Q911 PolarHBondContact O-N 3.23Å; K909-Q912 PolarHBondContact O-N 3.37Å; K909-E913 PolarHBondContact O-N 3.35Å |
| 910 | L | 83 | Confident | 81.5 | Confident | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | -178.2 | -67.8 | 169.8 | 0 | 0 | 0 | 112.5 | L474 R477 I478 V481 Q906 L907 Q912 E913 N914 | L474-L910 WeakPolarHBondContact CD2-O 3.22Å; L474-L910 HydrophobicContact CG-CD2 4.45Å; R477-L910 HydrophobicContact CB-CD1 3.95Å; R477-L910 HydrophobicContact CB-CD2 4.37Å; I478-L910 HydrophobicContact CD1-CB 4.24Å; I478-L910 HydrophobicContact CG1-CB 3.5Å; I478-L910 VanDerWaalsContact CG1-CB 3.5Å; I478-L910 HydrophobicContact CG1-CD1 4.36Å; V481-L910 HydrophobicContact CG2-CD1 4.04Å; Q906-L910 WeakPolarHBondContact O-CG 3.32Å; Q906-L910 PolarHBondContact O-N 2.8Å; L907-L910 PolarHBondContact O-N 3.46Å; L910-Q912 VanDerWaalsContact C-N 3.29Å; L910-Q912 PolarHBondContact O-N 3.44Å; L910-E913 PolarHBondContact O-N 3.03Å; L910-N914 PolarHBondContact O-N 3.08Å |
| 911 | Q | 78.8 | Confident | 81.2 | Confident | 92 Ų | 92 | 82.9 Ų | 82.9 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -32.4 | 177.9 | -74.1 | -179.2 | -25.9 | 0 | 0 | 113.2 | I478 L907 K909 | I478-Q911 HydrophobicContact CG2-CG 4.5Å; L907-Q911 PolarHBondContact O-N 3.27Å; K909-Q911 VanDerWaalsContact C-N 3.33Å; K909-Q911 PolarHBondContact O-N 3.23Å |
| 912 | Q | 80.6 | Confident | 81.2 | Confident | 144 Ų | 144 | 83 Ų | 83 | 67% | 0.673 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -73.5 | -42.1 | 179.3 | -169.2 | 168.3 | 0 | 0 | 0 | 112 | K909 L910 N914 L915 | K909-Q912 PolarHBondContact O-N 3.37Å; L910-Q912 VanDerWaalsContact C-N 3.29Å; L910-Q912 PolarHBondContact O-N 3.44Å; Q912-N914 PolarHBondContact O-N 3.36Å; Q912-L915 PolarHBondContact O-N 2.81Å |
| 913 | E | 78 | Confident | 80.9 | Confident | 98 Ų | 98 | 80.3 Ų | 80.3 | 46% | 0.458 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -30.7 | 177.9 | -71.8 | 177.6 | 170.1 | 0 | 0 | 113.1 | L474 K909 L910 L915 | L474-E913 HydrophobicContact CD1-CB 3.94Å; L474-E913 WeakPolarHBondContact CD1-OE2 3.33Å; L474-E913 HydrophobicContact CD2-CB 3.96Å; K909-E913 PolarHBondContact O-N 3.35Å; L910-E913 PolarHBondContact O-N 3.03Å; E913-L915 PolarHBondContact O-N 3.18Å |
| 914 | N | 80 | Confident | 80.9 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69 | -32.1 | 179.7 | -161.1 | 21.6 | 0 | 0 | 0 | 113.2 | L474 N475 I478 L910 Q912 | L474-N914 HydrophobicContact CD2-CB 3.85Å; N475-N914 PolarHBondContact OD1-ND2 3.16Å; I478-N914 HydrophobicContact CD1-CB 4.38Å; L910-N914 PolarHBondContact O-N 3.08Å; Q912-N914 PolarHBondContact O-N 3.36Å |
| 915 | L | 79.4 | Confident | 81 | Confident | 122 Ų | 122 | 80.8 Ų | 80.8 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.6 | -36.3 | -178.9 | -151.9 | 97.5 | 0 | 0 | 0 | 111.7 | Q912 E913 V918 | Q912-L915 PolarHBondContact O-N 2.81Å; E913-L915 PolarHBondContact O-N 3.18Å; L915-V918 PolarHBondContact O-N 3.36Å |
| 916 | D | 79.9 | Confident | 81.4 | Confident | 90 Ų | 90 | 81.8 Ų | 81.8 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | -179.7 | -69.4 | -17 | 0 | 0 | 0 | 112.1 | V918 Q919 L920 | D916-V918 VanDerWaalsContact C-N 3.29Å; D916-V918 PolarHBondContact O-N 2.98Å; D916-Q919 PolarHBondContact O-N 2.87Å; D916-L920 PolarHBondContact O-N 3.13Å |
| 917 | N | 79.4 | Confident | 81.5 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 178.3 | -77.8 | -26.7 | 0 | 0 | 0 | 113.1 | L468 Q919 L920 K921 | L468-N917 HydrophobicContact CD2-CB 4.32Å; L468-N917 WeakPolarHBondContact CD2-O 3.5Å; N917-Q919 VanDerWaalsContact C-N 3.33Å; N917-Q919 PolarHBondContact O-N 3.32Å; N917-L920 PolarHBondContact O-N 3.47Å; N917-K921 PolarHBondContact O-N 3.43Å |
| 918 | V | 78.5 | Confident | 81.4 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 53% | 0.527 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 179.7 | 178 | 0 | 0 | 0 | 0 | 111.7 | L915 D916 | L915-V918 PolarHBondContact O-N 3.36Å; D916-V918 VanDerWaalsContact C-N 3.29Å; D916-V918 PolarHBondContact O-N 2.98Å |
| 919 | Q | 80.7 | Confident | 81.8 | Confident | 125 Ų | 125 | 82 Ų | 82 | 58% | 0.584 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.9 | -42.3 | 178.8 | -64.2 | -176.6 | -3.2 | 0 | 0 | 111.5 | D916 N917 K921 N922 | D916-Q919 PolarHBondContact O-N 2.87Å; N917-Q919 VanDerWaalsContact C-N 3.33Å; N917-Q919 PolarHBondContact O-N 3.32Å; Q919-K921 VanDerWaalsContact C-N 3.28Å; Q919-K921 PolarHBondContact O-N 3.45Å; Q919-N922 PolarHBondContact O-N 3.48Å |
| 920 | L | 82.2 | Confident | 81.9 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.2 | -36.2 | 179.4 | -71.8 | 173.2 | 0 | 0 | 0 | 112.9 | I464 R467 L468 D916 N917 N922 D923 L924 | I464-L920 HydrophobicContact CG1-CD2 4.21Å; I464-L920 HydrophobicContact CG2-CB 4.14Å; I464-L920 HydrophobicContact CG2-CD2 4.43Å; I464-L920 WeakPolarHBondContact CG2-O 3.44Å; R467-L920 HydrophobicContact CB-CD1 3.84Å; L468-L920 HydrophobicContact CD1-CB 4.14Å; L468-L920 HydrophobicContact CD2-CB 4.2Å; L468-L920 HydrophobicContact CG-CB 4.11Å; D916-L920 PolarHBondContact O-N 3.13Å; N917-L920 PolarHBondContact O-N 3.47Å; L920-N922 VanDerWaalsContact C-N 3.35Å; L920-N922 PolarHBondContact O-N 3.05Å; L920-D923 PolarHBondContact O-N 3.4Å; L920-L924 PolarHBondContact O-N 2.95Å |
| 921 | K | 79.8 | Confident | 82.1 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.4 | -77.7 | -177.3 | 173.6 | 169.4 | 0 | 113.6 | L468 E471 N917 Q919 L924 S925 | L468-K921 HydrophobicContact CD1-CG 3.93Å; L468-K921 HydrophobicContact CD2-CD 4.44Å; L468-K921 HydrophobicContact CD2-CG 3.61Å; L468-K921 HydrophobicContact CG-CG 4.44Å; E471-K921 IonicContact OE1-NZ 3.37Å; E471-K921 PolarHBondContact OE1-NZ 3.14Å; E471-K921 WeakPolarHBondContact OE2-CE 3.33Å; E471-K921 IonicContact OE2-NZ 2.72Å; E471-K921 PolarHBondContact OE2-NZ 3.36Å; N917-K921 PolarHBondContact O-N 3.43Å; Q919-K921 VanDerWaalsContact C-N 3.28Å; Q919-K921 PolarHBondContact O-N 3.45Å; K921-L924 PolarHBondContact O-N 3.12Å; K921-S925 PolarHBondContact O-N 3.42Å |
| 922 | N | 82.1 | Confident | 82.4 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.1 | -40 | -178.6 | -72.2 | -30.5 | 0 | 0 | 0 | 111.3 | Q919 L920 L924 S925 | Q919-N922 PolarHBondContact O-N 3.48Å; L920-N922 VanDerWaalsContact C-N 3.35Å; L920-N922 PolarHBondContact O-N 3.05Å; N922-L924 VanDerWaalsContact C-N 3.32Å; N922-L924 PolarHBondContact O-N 2.96Å; N922-S925 PolarHBondContact O-N 3.45Å; N922-S925 PolarHBondContact O-OG 3.23Å |
| 923 | D | 81.2 | Confident | 82.7 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 176.9 | -75.1 | -36.5 | 0 | 0 | 0 | 112.4 | I464 L920 S925 R926 L927 | I464-D923 HydrophobicContact CD1-CB 3.68Å; L920-D923 PolarHBondContact O-N 3.4Å; D923-S925 VanDerWaalsContact C-N 3.32Å; D923-S925 PolarHBondContact O-N 3.26Å; D923-R926 PolarHBondContact O-N 2.86Å; D923-R926 IonicContact OD1-CZ 3.22Å; D923-R926 IonicContact OD1-NH1 3.83Å; D923-R926 PolarHBondContact OD1-NH1 3.2Å; D923-R926 IonicContact OD1-NH2 3.14Å; D923-R926 PolarHBondContact OD1-NH2 3.46Å; D923-L927 WeakPolarHBondContact O-CG 3.49Å; D923-L927 PolarHBondContact O-N 2.79Å; D923-L927 VanDerWaalsContact O-N 3.08Å |
| 924 | L | 85.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 177.2 | -174.7 | 63.5 | 0 | 0 | 0 | 112.9 | K461 I464 E465 L468 L920 K921 N922 T928 | K461-L924 HydrophobicContact CG-CD1 3.67Å; I464-L924 HydrophobicContact CB-CD1 4.45Å; I464-L924 HydrophobicContact CG2-CB 3.86Å; I464-L924 HydrophobicContact CG2-CD1 4.21Å; E465-L924 HydrophobicContact CG-CD1 3.45Å; E465-L924 VanDerWaalsContact CG-CD1 3.45Å; E465-L924 HydrophobicContact CG-CD2 4Å; E465-L924 HydrophobicContact CG-CG 4.38Å; L468-L924 HydrophobicContact CD1-CD2 4.28Å; L920-L924 PolarHBondContact O-N 2.95Å; K921-L924 PolarHBondContact O-N 3.12Å; N922-L924 VanDerWaalsContact C-N 3.32Å; N922-L924 PolarHBondContact O-N 2.96Å; L924-T928 PolarHBondContact O-N 3.34Å; L924-T928 VanDerWaalsContact O-N 3.14Å; L924-T928 PolarHBondContact O-OG1 3.19Å |
| 925 | S | 83.9 | Confident | 83.3 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | -180 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | K921 N922 D923 | K921-S925 PolarHBondContact O-N 3.42Å; N922-S925 PolarHBondContact O-N 3.45Å; N922-S925 PolarHBondContact O-OG 3.23Å; D923-S925 VanDerWaalsContact C-N 3.32Å; D923-S925 PolarHBondContact O-N 3.26Å |
| 926 | R | 87.5 | Confident | 83.6 | Confident | 125 Ų | 125 | 77.6 Ų | 77.6 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.2 | -51.9 | 177.1 | -176.8 | -178 | 70 | -128 | -5.1 | 111.1 | D923 T928 R929 D930 | D923-R926 PolarHBondContact O-N 2.86Å; D923-R926 IonicContact OD1-CZ 3.22Å; D923-R926 IonicContact OD1-NH1 3.83Å; D923-R926 PolarHBondContact OD1-NH1 3.2Å; D923-R926 IonicContact OD1-NH2 3.14Å; D923-R926 PolarHBondContact OD1-NH2 3.46Å; R926-T928 VanDerWaalsContact C-N 3.27Å; R926-T928 PolarHBondContact O-N 3.41Å; R926-R929 PolarHBondContact O-N 2.81Å; R926-D930 PolarHBondContact O-N 3.02Å |
| 927 | L | 84.9 | Confident | 83.9 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | -177.8 | -72.8 | 165.4 | 0 | 0 | 0 | 112.6 | Q457 E460 K461 I464 D923 R929 D930 C931 | Q457-L927 HydrophobicContact CB-CD2 4.11Å; Q457-L927 HydrophobicContact CG-CD2 4.14Å; E460-L927 HydrophobicContact CB-CD1 3.9Å; E460-L927 HydrophobicContact CB-CD2 4.25Å; E460-L927 HydrophobicContact CG-CD1 3.67Å; E460-L927 HydrophobicContact CG-CD2 4.39Å; K461-L927 HydrophobicContact CB-CB 4.26Å; I464-L927 HydrophobicContact CD1-CD1 3.67Å; D923-L927 WeakPolarHBondContact O-CG 3.49Å; D923-L927 PolarHBondContact O-N 2.79Å; D923-L927 VanDerWaalsContact O-N 3.08Å; L927-R929 PolarHBondContact O-N 2.8Å; L927-D930 PolarHBondContact O-N 3.02Å; L927-C931 WeakPolarHBondContact O-CB 3.13Å; L927-C931 PolarHBondContact O-N 2.96Å; L927-C931 PolarHBondContact O-SG 2.84Å; L927-C931 VanDerWaalsContact O-SG 3.37Å |
| 928 | T | 84 | Confident | 84.2 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 22% | 0.221 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 178 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | K461 L924 R926 E932 | K461-T928 WeakPolarHBondContact CE-OG1 3.45Å; K461-T928 PolarHBondContact NZ-OG1 2.93Å; L924-T928 PolarHBondContact O-N 3.34Å; L924-T928 VanDerWaalsContact O-N 3.14Å; L924-T928 PolarHBondContact O-OG1 3.19Å; R926-T928 VanDerWaalsContact C-N 3.27Å; R926-T928 PolarHBondContact O-N 3.41Å; T928-E932 PolarHBondContact O-N 2.84Å |
| 929 | R | 87.3 | Confident | 84.4 | Confident | 184 Ų | 184 | 77.2 Ų | 77.2 | 69% | 0.694 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 179.2 | -173.8 | 177.4 | -179.6 | 147.6 | 1 | 112.3 | R926 L927 E932 T933 | R926-R929 PolarHBondContact O-N 2.81Å; L927-R929 PolarHBondContact O-N 2.8Å; R929-E932 PolarHBondContact O-N 2.81Å; R929-T933 PolarHBondContact O-N 2.83Å |
| 930 | D | 84.6 | Confident | 84.6 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | -179.4 | -63.6 | -17.2 | 0 | 0 | 0 | 111.1 | R926 L927 E932 T933 L934 | R926-D930 PolarHBondContact O-N 3.02Å; L927-D930 PolarHBondContact O-N 3.02Å; D930-E932 VanDerWaalsContact C-N 3.29Å; D930-E932 PolarHBondContact O-N 3.2Å; D930-T933 PolarHBondContact O-N 3.11Å; D930-T933 PolarHBondContact O-OG1 2.95Å; D930-L934 PolarHBondContact O-N 3.24Å; D930-L934 VanDerWaalsContact O-N 3.11Å |
| 931 | C | 85.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.8 | -39 | 174.7 | -76.9 | 0 | 0 | 0 | 0 | 113.2 | Y454 S458 L927 K935 | Y454-C931 HydrophobicContact CD2-CB 4.34Å; Y454-C931 WeakPolarHBondContact CD2-O 3.38Å; Y454-C931 HydrophobicContact CE2-CB 4.08Å; Y454-C931 WeakPolarHBondContact CE2-O 3.46Å; S458-C931 PolarHBondContact N-SG 2.89Å; L927-C931 WeakPolarHBondContact O-CB 3.13Å; L927-C931 PolarHBondContact O-N 2.96Å; L927-C931 PolarHBondContact O-SG 2.84Å; L927-C931 VanDerWaalsContact O-SG 3.37Å; C931-K935 WeakPolarHBondContact O-CB 3.39Å; C931-K935 PolarHBondContact O-N 3.26Å; C931-K935 VanDerWaalsContact O-N 3.14Å |
| 932 | E | 85.8 | Confident | 84.8 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 178.4 | -72.8 | 175.1 | 177.4 | 0 | 0 | 112.3 | T928 R929 D930 K935 K936 | T928-E932 PolarHBondContact O-N 2.84Å; R929-E932 PolarHBondContact O-N 2.81Å; D930-E932 VanDerWaalsContact C-N 3.29Å; D930-E932 PolarHBondContact O-N 3.2Å; E932-K935 PolarHBondContact O-N 3.46Å; E932-K936 PolarHBondContact O-N 2.86Å |
| 933 | T | 86 | Confident | 84.6 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 178.7 | 58 | 0 | 0 | 0 | 0 | 112.6 | R929 D930 K935 K936 E937 | R929-T933 PolarHBondContact O-N 2.83Å; D930-T933 PolarHBondContact O-N 3.11Å; D930-T933 PolarHBondContact O-OG1 2.95Å; T933-K935 VanDerWaalsContact C-N 3.32Å; T933-K935 PolarHBondContact O-N 2.91Å; T933-K936 PolarHBondContact O-N 2.95Å; T933-E937 PolarHBondContact O-N 2.89Å |
| 934 | L | 86.4 | Confident | 84.6 | Confident | 22 Ų | 22 | 76 Ų | 76 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 178.4 | -68.7 | 172.7 | 0 | 0 | 0 | 112.2 | I450 N453 Y454 D930 K936 L938 | I450-L934 HydrophobicContact CG2-CB 4.41Å; I450-L934 HydrophobicContact CG2-CD2 4.18Å; N453-L934 HydrophobicContact CB-CD1 3.78Å; N453-L934 HydrophobicContact CB-CD2 4.31Å; Y454-L934 HydrophobicContact CD2-CB 4.28Å; D930-L934 PolarHBondContact O-N 3.24Å; D930-L934 VanDerWaalsContact O-N 3.11Å; L934-K936 VanDerWaalsContact C-N 3.31Å; L934-K936 PolarHBondContact O-N 3.4Å; L934-L938 WeakPolarHBondContact O-CB 3.22Å; L934-L938 PolarHBondContact O-N 3.13Å |
| 935 | K | 85.4 | Confident | 84.3 | Confident | 131 Ų | 131 | 78.5 Ų | 78.5 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.8 | -36.9 | 177.3 | -168.1 | 176.5 | -178 | -179.1 | 0 | 111.9 | Y454 C931 E932 T933 S939 | Y454-K935 HydrophobicContact CD2-CB 4.32Å; Y454-K935 HydrophobicContact CE2-CB 3.99Å; Y454-K935 HydrophobicContact CE2-CD 4.44Å; Y454-K935 HydrophobicContact CE2-CG 4.44Å; C931-K935 WeakPolarHBondContact O-CB 3.39Å; C931-K935 PolarHBondContact O-N 3.26Å; C931-K935 VanDerWaalsContact O-N 3.14Å; E932-K935 PolarHBondContact O-N 3.46Å; T933-K935 VanDerWaalsContact C-N 3.32Å; T933-K935 PolarHBondContact O-N 2.91Å; K935-S939 PolarHBondContact O-N 2.95Å; K935-S939 VanDerWaalsContact O-N 3.17Å |
| 936 | K | 85.7 | Confident | 84.2 | Confident | 133 Ų | 133 | 76.9 Ų | 76.9 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.6 | -50 | 176.9 | -170 | -178.7 | 175.5 | -174 | 0 | 111.8 | E932 T933 L934 L938 S939 E940 | E932-K936 PolarHBondContact O-N 2.86Å; T933-K936 PolarHBondContact O-N 2.95Å; L934-K936 VanDerWaalsContact C-N 3.31Å; L934-K936 PolarHBondContact O-N 3.4Å; K936-L938 VanDerWaalsContact C-N 3.29Å; K936-L938 PolarHBondContact O-N 2.8Å; K936-S939 PolarHBondContact O-N 2.88Å; K936-S939 VanDerWaalsContact O-N 3.14Å; K936-S939 PolarHBondContact O-OG 3.26Å; K936-E940 WeakPolarHBondContact CE-OE1 3.13Å; K936-E940 PolarHBondContact O-N 3.37Å |
| 937 | E | 86.1 | Confident | 84.1 | Confident | 101 Ų | 101 | 73.7 Ų | 73.7 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 177.3 | -70.8 | -173.2 | 176.1 | 0 | 0 | 112.7 | I450 T933 S939 E940 L941 | I450-E937 HydrophobicContact CD1-CB 4.36Å; T933-E937 PolarHBondContact O-N 2.89Å; E937-S939 VanDerWaalsContact C-N 3.32Å; E937-S939 PolarHBondContact O-N 3.23Å; E937-E940 PolarHBondContact O-N 3.43Å; E937-L941 WeakPolarHBondContact O-CG 3.45Å; E937-L941 PolarHBondContact O-N 3.26Å |
| 938 | L | 86.3 | Confident | 84.1 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.7 | -166.3 | 118.6 | 0 | 0 | 0 | 111.2 | I450 K451 L934 K936 E942 | I450-L938 HydrophobicContact CB-CD1 4.38Å; I450-L938 HydrophobicContact CG2-CB 4.02Å; I450-L938 HydrophobicContact CG2-CD1 3.96Å; K451-L938 HydrophobicContact CB-CD1 3.63Å; K451-L938 HydrophobicContact CD-CD1 4.5Å; K451-L938 HydrophobicContact CG-CD1 4.04Å; L934-L938 WeakPolarHBondContact O-CB 3.22Å; L934-L938 PolarHBondContact O-N 3.13Å; K936-L938 VanDerWaalsContact C-N 3.29Å; K936-L938 PolarHBondContact O-N 2.8Å; L938-E942 VanDerWaalsContact CD2-OE2 3.31Å; L938-E942 WeakPolarHBondContact CD2-OE2 3.45Å; L938-E942 HydrophobicContact CG-CG 4.43Å; L938-E942 WeakPolarHBondContact O-CB 3.46Å; L938-E942 WeakPolarHBondContact O-CG 3.33Å; L938-E942 PolarHBondContact O-N 3.39Å |
| 939 | S | 81.9 | Confident | 84.2 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.1 | 71 | 0 | 0 | 0 | 0 | 112.6 | K935 K936 E937 L941 E942 S943 | K935-S939 PolarHBondContact O-N 2.95Å; K935-S939 VanDerWaalsContact O-N 3.17Å; K936-S939 PolarHBondContact O-N 2.88Å; K936-S939 VanDerWaalsContact O-N 3.14Å; K936-S939 PolarHBondContact O-OG 3.26Å; E937-S939 VanDerWaalsContact C-N 3.32Å; E937-S939 PolarHBondContact O-N 3.23Å; S939-L941 PolarHBondContact O-N 3.12Å; S939-E942 PolarHBondContact O-N 3.35Å; S939-S943 VanDerWaalsContact O-CB 3.31Å; S939-S943 WeakPolarHBondContact O-CB 3.41Å; S939-S943 PolarHBondContact O-N 3.01Å; S939-S943 PolarHBondContact O-OG 2.92Å |
| 940 | E | 84.7 | Confident | 83.9 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 41% | 0.407 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | -179.6 | -68.6 | 171.8 | -172.7 | 0 | 0 | 111.9 | K936 E937 E944 | K936-E940 WeakPolarHBondContact CE-OE1 3.13Å; K936-E940 PolarHBondContact O-N 3.37Å; E937-E940 PolarHBondContact O-N 3.43Å; E940-E944 WeakPolarHBondContact O-CB 3.46Å; E940-E944 PolarHBondContact O-N 3.06Å |
| 941 | L | 84 | Confident | 84 | Confident | 11 Ų | 11 | 78.3 Ų | 78.3 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -71 | -39.7 | 178.6 | -67.1 | 172.6 | 0 | 0 | 0 | 112.9 | L443 K446 I447 I450 E937 S939 L946 | L443-L941 HydrophobicContact CD1-CD2 4.05Å; K446-L941 HydrophobicContact CD-CD1 4.01Å; K446-L941 HydrophobicContact CD-CD2 4.31Å; K446-L941 HydrophobicContact CG-CD1 4.05Å; I447-L941 HydrophobicContact CD1-CB 4.2Å; I447-L941 HydrophobicContact CG1-CB 3.81Å; I447-L941 HydrophobicContact CG1-CD1 4.31Å; I450-L941 HydrophobicContact CD1-CD1 3.43Å; I450-L941 VanDerWaalsContact CD1-CD1 3.43Å; E937-L941 WeakPolarHBondContact O-CG 3.45Å; E937-L941 PolarHBondContact O-N 3.26Å; S939-L941 PolarHBondContact O-N 3.12Å; L941-L946 WeakPolarHBondContact O-CB 3.5Å; L941-L946 PolarHBondContact O-N 3.22Å; L941-L946 VanDerWaalsContact O-N 3.1Å |
| 942 | E | 81.2 | Confident | 84 | Confident | 73 Ų | 73 | 83.3 Ų | 83.3 | 34% | 0.341 | 41% | 0.406 | S | S | . | . | I | π-helix | trans | -72.4 | -36.4 | 179.1 | -73.4 | -177.2 | 162.1 | 0 | 0 | 112.1 | I447 L938 S939 P947 | I447-E942 HydrophobicContact CD1-CG 4.19Å; I447-E942 HydrophobicContact CG2-CG 4.03Å; L938-E942 VanDerWaalsContact CD2-OE2 3.31Å; L938-E942 WeakPolarHBondContact CD2-OE2 3.45Å; L938-E942 HydrophobicContact CG-CG 4.43Å; L938-E942 WeakPolarHBondContact O-CB 3.46Å; L938-E942 WeakPolarHBondContact O-CG 3.33Å; L938-E942 PolarHBondContact O-N 3.39Å; S939-E942 PolarHBondContact O-N 3.35Å; E942-P947 WeakPolarHBondContact O-CD 3.46Å |
| 943 | S | 79 | Confident | 84 | Confident | 79 Ų | 79 | 81.2 Ų | 81.2 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | I | π-helix | trans | -87.5 | -36.3 | -176.7 | 69.1 | 0 | 0 | 0 | 0 | 114.7 | S939 | S939-S943 VanDerWaalsContact O-CB 3.31Å; S939-S943 WeakPolarHBondContact O-CB 3.41Å; S939-S943 PolarHBondContact O-N 3.01Å; S939-S943 PolarHBondContact O-OG 2.92Å |
| 944 | E | 80.6 | Confident | 83.8 | Confident | 132 Ų | 132 | 80.8 Ų | 80.8 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | I | π-helix | trans | -101.7 | -53.2 | -172.4 | -61.5 | -172.1 | 169.8 | 0 | 0 | 113.1 | E940 V948 | E940-E944 WeakPolarHBondContact O-CB 3.46Å; E940-E944 PolarHBondContact O-N 3.06Å; E944-V948 VanDerWaalsContact O-CG2 3.29Å; E944-V948 WeakPolarHBondContact O-CG2 3.46Å |
| 945 | Q | 79.9 | Confident | 83.8 | Confident | 93 Ų | 93 | 87.2 Ų | 87.2 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | I | π-helix | trans | -85.5 | -40.8 | -168.8 | -63.5 | -176.6 | 11.6 | 0 | 0 | 112.8 | L443 V948 V949 | L443-Q945 HydrophobicContact CD1-CB 4.09Å; L443-Q945 HydrophobicContact CD2-CB 3.85Å; Q945-V948 PolarHBondContact O-N 3.38Å; Q945-V949 PolarHBondContact O-N 3.49Å |
| 946 | L | 81.8 | Confident | 83.8 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | -176.1 | -176.1 | 67.7 | 0 | 0 | 0 | 113 | L440 L443 K444 I447 L941 V948 H950 | L440-L946 HydrophobicContact CD1-CD1 3.91Å; L443-L946 HydrophobicContact CD2-CB 4.19Å; L443-L946 HydrophobicContact CD2-CD1 4.24Å; K444-L946 HydrophobicContact CG-CD1 4.26Å; I447-L946 HydrophobicContact CD1-CB 4.17Å; I447-L946 HydrophobicContact CD1-CD1 4.3Å; I447-L946 HydrophobicContact CD1-CD2 4.07Å; I447-L946 HydrophobicContact CD1-CG 4.42Å; L941-L946 WeakPolarHBondContact O-CB 3.5Å; L941-L946 PolarHBondContact O-N 3.22Å; L941-L946 VanDerWaalsContact O-N 3.1Å; L946-V948 VanDerWaalsContact C-N 3.3Å; L946-V948 PolarHBondContact O-N 3.2Å; L946-H950 VanDerWaalsContact O-CB 3.23Å; L946-H950 WeakPolarHBondContact O-CB 3.41Å; L946-H950 PolarHBondContact O-N 3.38Å |
| 947 | P | 84.3 | Confident | 83.8 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 178.5 | -22.9 | 35.8 | 0 | 0 | 0 | 113.1 | E942 R951 | E942-P947 WeakPolarHBondContact O-CD 3.46Å; P947-R951 WeakPolarHBondContact O-CB 3.44Å; P947-R951 VanDerWaalsContact O-CG 3.32Å; P947-R951 WeakPolarHBondContact O-CG 3.49Å; P947-R951 PolarHBondContact O-N 3.22Å |
| 948 | V | 85 | Confident | 83.7 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 53% | 0.527 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.4 | -49.1 | -179.8 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | E944 Q945 L946 H950 R951 R952 | E944-V948 VanDerWaalsContact O-CG2 3.29Å; E944-V948 WeakPolarHBondContact O-CG2 3.46Å; Q945-V948 PolarHBondContact O-N 3.38Å; L946-V948 VanDerWaalsContact C-N 3.3Å; L946-V948 PolarHBondContact O-N 3.2Å; V948-H950 VanDerWaalsContact C-N 3.33Å; V948-R951 PolarHBondContact O-N 2.94Å; V948-R952 PolarHBondContact O-N 3.01Å; V948-R952 VanDerWaalsContact O-N 3.1Å |
| 949 | V | 85.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | V436 E439 L440 L443 Q945 R951 R952 W953 | V436-V949 HydrophobicContact CG1-CG1 4.36Å; E439-V949 HydrophobicContact CB-CG1 4.22Å; E439-V949 HydrophobicContact CG-CG1 4.08Å; E439-V949 HydrophobicContact CG-CG2 4.26Å; L440-V949 HydrophobicContact CB-CG1 3.86Å; L440-V949 HydrophobicContact CD1-CB 4.4Å; L440-V949 HydrophobicContact CD1-CG1 4.01Å; L443-V949 HydrophobicContact CD2-CB 4.38Å; L443-V949 HydrophobicContact CD2-CG2 4.02Å; Q945-V949 PolarHBondContact O-N 3.49Å; V949-R951 PolarHBondContact O-N 3.23Å; V949-R952 PolarHBondContact O-N 3.39Å; V949-W953 WeakPolarHBondContact O-CB 3.39Å; V949-W953 PolarHBondContact O-N 3.36Å |
| 950 | H | 82.2 | Confident | 83.9 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 38% | 0.384 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.8 | -158 | 60 | 0 | 0 | 0 | 112 | L946 V948 R952 W953 T954 | L946-H950 VanDerWaalsContact O-CB 3.23Å; L946-H950 WeakPolarHBondContact O-CB 3.41Å; L946-H950 PolarHBondContact O-N 3.38Å; V948-H950 VanDerWaalsContact C-N 3.33Å; H950-R952 PolarHBondContact O-N 2.97Å; H950-W953 AromaticContact CE1-CE3 3.74Å; H950-W953 AromaticContact CE1-CZ3 3.81Å; H950-W953 AromaticContact ND1-CE3 3.9Å; H950-W953 WeakPolarHBondContact O-CB 3.34Å; H950-W953 PolarHBondContact O-N 2.88Å; H950-T954 PolarHBondContact O-N 3.44Å; H950-T954 PolarHBondContact O-OG1 2.87Å |
| 951 | R | 85.7 | Confident | 83.7 | Confident | 200 Ų | 200 | 79.2 Ų | 79.2 | 76% | 0.755 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 173.1 | -79.3 | 178.6 | -175.2 | -176.3 | 3.1 | 112.6 | P947 V948 V949 W953 T954 K955 | P947-R951 WeakPolarHBondContact O-CB 3.44Å; P947-R951 VanDerWaalsContact O-CG 3.32Å; P947-R951 WeakPolarHBondContact O-CG 3.49Å; P947-R951 PolarHBondContact O-N 3.22Å; V948-R951 PolarHBondContact O-N 2.94Å; V949-R951 PolarHBondContact O-N 3.23Å; R951-W953 VanDerWaalsContact C-N 3.34Å; R951-T954 PolarHBondContact O-N 3.1Å; R951-K955 WeakPolarHBondContact O-CB 3.27Å; R951-K955 PolarHBondContact O-N 2.91Å |
| 952 | R | 87.1 | Confident | 83.9 | Confident | 115 Ų | 115 | 84.7 Ų | 84.7 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 175.3 | -75.7 | 176.1 | 61.1 | -151.2 | -12.1 | 111.3 | V436 E439 V948 V949 H950 K955 A956 | V436-R952 HydrophobicContact CG1-CB 3.87Å; E439-R952 VanDerWaalsContact CD-NH1 3.26Å; E439-R952 IonicContact OE1-CZ 2.75Å; E439-R952 IonicContact OE1-NH1 2.71Å; E439-R952 PolarHBondContact OE1-NH1 3.15Å; E439-R952 IonicContact OE2-CZ 3.94Å; E439-R952 IonicContact OE2-NH1 3.27Å; E439-R952 PolarHBondContact OE2-NH1 3.25Å; E439-R952 IonicContact OE2-NH2 3.44Å; E439-R952 PolarHBondContact OE2-NH2 3.36Å; V948-R952 PolarHBondContact O-N 3.01Å; V948-R952 VanDerWaalsContact O-N 3.1Å; V949-R952 PolarHBondContact O-N 3.39Å; H950-R952 PolarHBondContact O-N 2.97Å; R952-K955 PolarHBondContact O-N 3.42Å; R952-A956 WeakPolarHBondContact O-CB 3.35Å; R952-A956 PolarHBondContact O-N 2.86Å |
| 953 | W | 85.3 | Confident | 84.1 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 33% | 0.326 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 177.3 | 177 | 76.3 | 0 | 0 | 0 | 111.1 | V436 L440 V949 H950 R951 K955 A956 C957 | V436-W953 HydrophobicContact CG1-CB 3.81Å; L440-W953 HydrophobicContact CD2-CB 4.47Å; L440-W953 HydrophobicContact CD2-CD2 4.34Å; L440-W953 HydrophobicContact CD2-CG 4.15Å; V949-W953 WeakPolarHBondContact O-CB 3.39Å; V949-W953 PolarHBondContact O-N 3.36Å; H950-W953 AromaticContact CE1-CE3 3.74Å; H950-W953 AromaticContact CE1-CZ3 3.81Å; H950-W953 AromaticContact ND1-CE3 3.9Å; H950-W953 WeakPolarHBondContact O-CB 3.34Å; H950-W953 PolarHBondContact O-N 2.88Å; R951-W953 VanDerWaalsContact C-N 3.34Å; W953-K955 VanDerWaalsContact C-N 3.31Å; W953-K955 PolarHBondContact O-N 3.37Å; W953-A956 PolarHBondContact O-N 3.45Å; W953-C957 PolarHBondContact NE1-SG 3.34Å; W953-C957 WeakPolarHBondContact O-CB 3.33Å; W953-C957 PolarHBondContact O-N 2.88Å; W953-C957 PolarHBondContact O-SG 3.47Å |
| 954 | T | 82.1 | Confident | 84.2 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | H950 R951 C957 S958 | H950-T954 PolarHBondContact O-N 3.44Å; H950-T954 PolarHBondContact O-OG1 2.87Å; R951-T954 PolarHBondContact O-N 3.1Å; T954-C957 PolarHBondContact O-N 3.42Å; T954-S958 WeakPolarHBondContact O-CB 3.44Å; T954-S958 PolarHBondContact O-N 3.42Å; T954-S958 PolarHBondContact O-OG 3.42Å |
| 955 | K | 85.1 | Confident | 84.3 | Confident | 158 Ų | 158 | 79.6 Ų | 79.6 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 177.2 | -170.6 | 179 | 179 | -177 | 0 | 112.3 | R951 R952 W953 S958 E959 | R951-K955 WeakPolarHBondContact O-CB 3.27Å; R951-K955 PolarHBondContact O-N 2.91Å; R952-K955 PolarHBondContact O-N 3.42Å; W953-K955 VanDerWaalsContact C-N 3.31Å; W953-K955 PolarHBondContact O-N 3.37Å; K955-S958 WeakPolarHBondContact CA-OG 3.2Å; K955-S958 PolarHBondContact O-N 2.94Å; K955-S958 PolarHBondContact O-OG 3.42Å; K955-E959 WeakPolarHBondContact O-CB 3.33Å; K955-E959 PolarHBondContact O-N 2.69Å |
| 956 | A | 87 | Confident | 84.6 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V433 R952 W953 E959 R960 | V433-A956 HydrophobicContact CG2-CB 3.95Å; R952-A956 WeakPolarHBondContact O-CB 3.35Å; R952-A956 PolarHBondContact O-N 2.86Å; W953-A956 PolarHBondContact O-N 3.45Å; A956-E959 PolarHBondContact O-N 3.36Å; A956-R960 PolarHBondContact O-N 3.36Å |
| 957 | C | 84 | Confident | 84.8 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 24% | 0.236 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 176 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | W953 T954 E959 R960 S961 | W953-C957 PolarHBondContact NE1-SG 3.34Å; W953-C957 WeakPolarHBondContact O-CB 3.33Å; W953-C957 PolarHBondContact O-N 2.88Å; W953-C957 PolarHBondContact O-SG 3.47Å; T954-C957 PolarHBondContact O-N 3.42Å; C957-E959 VanDerWaalsContact C-N 3.33Å; C957-R960 PolarHBondContact O-N 2.91Å; C957-S961 WeakPolarHBondContact O-CB 3.3Å; C957-S961 PolarHBondContact O-N 2.78Å |
| 958 | S | 83.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.1 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | T954 K955 S961 R962 | T954-S958 WeakPolarHBondContact O-CB 3.44Å; T954-S958 PolarHBondContact O-N 3.42Å; T954-S958 PolarHBondContact O-OG 3.42Å; K955-S958 WeakPolarHBondContact CA-OG 3.2Å; K955-S958 PolarHBondContact O-N 2.94Å; K955-S958 PolarHBondContact O-OG 3.42Å; S958-S961 PolarHBondContact O-N 3.14Å; S958-R962 WeakPolarHBondContact O-CB 3.47Å; S958-R962 PolarHBondContact O-N 2.85Å |
| 959 | E | 85.2 | Confident | 84.6 | Confident | 78 Ų | 78 | 80 Ų | 80 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 177.6 | -172.5 | 61.6 | -173 | 0 | 0 | 111.4 | K955 A956 C957 S961 R962 I963 | K955-E959 WeakPolarHBondContact O-CB 3.33Å; K955-E959 PolarHBondContact O-N 2.69Å; A956-E959 PolarHBondContact O-N 3.36Å; C957-E959 VanDerWaalsContact C-N 3.33Å; E959-S961 VanDerWaalsContact C-N 3.31Å; E959-S961 PolarHBondContact O-N 2.85Å; E959-R962 WeakPolarHBondContact O-CB 3.31Å; E959-R962 PolarHBondContact O-N 3.49Å; E959-R962 IonicContact OE1-CZ 2.7Å; E959-R962 IonicContact OE1-NE 3.73Å; E959-R962 PolarHBondContact OE1-NE 3.17Å; E959-R962 IonicContact OE1-NH2 2.64Å; E959-R962 PolarHBondContact OE1-NH2 2.88Å; E959-R962 IonicContact OE2-CZ 2.79Å; E959-R962 IonicContact OE2-NE 3.29Å; E959-R962 PolarHBondContact OE2-NE 3.47Å; E959-R962 IonicContact OE2-NH2 3.15Å; E959-I963 HydrophobicContact CG-CD1 4.1Å; E959-I963 WeakPolarHBondContact O-CG1 3.26Å; E959-I963 PolarHBondContact O-N 3.49Å |
| 960 | R | 88.1 | Confident | 84.7 | Confident | 108 Ų | 108 | 82.7 Ų | 82.7 | 41% | 0.408 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 170.9 | -164.8 | -160.4 | 88.3 | -178.9 | 5.1 | 111.5 | A429 V433 A956 C957 R962 I963 A964 | A429-R960 HydrophobicContact CB-CB 4.13Å; A429-R960 HydrophobicContact CB-CG 3.92Å; V433-R960 HydrophobicContact CG2-CB 4.03Å; A956-R960 PolarHBondContact O-N 3.36Å; C957-R960 PolarHBondContact O-N 2.91Å; R960-R962 VanDerWaalsContact C-N 3.31Å; R960-R962 PolarHBondContact O-N 3.3Å; R960-I963 PolarHBondContact O-N 3.19Å; R960-A964 VanDerWaalsContact O-CB 3.23Å; R960-A964 WeakPolarHBondContact O-CB 3.49Å; R960-A964 PolarHBondContact O-N 3.33Å |
| 961 | S | 80.6 | Confident | 84.8 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 43% | 0.427 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.3 | -32.4 | 178.6 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | C957 S958 E959 K965 | C957-S961 WeakPolarHBondContact O-CB 3.3Å; C957-S961 PolarHBondContact O-N 2.78Å; S958-S961 PolarHBondContact O-N 3.14Å; E959-S961 VanDerWaalsContact C-N 3.31Å; E959-S961 PolarHBondContact O-N 2.85Å; S961-K965 WeakPolarHBondContact O-CB 3.36Å; S961-K965 WeakPolarHBondContact O-CG 3.4Å; S961-K965 PolarHBondContact O-N 2.68Å |
| 962 | R | 88.1 | Confident | 84.7 | Confident | 125 Ų | 125 | 77.4 Ų | 77.4 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.6 | -48.6 | 173.1 | -171.3 | -175.5 | 76.9 | 83.8 | 2.1 | 110.8 | S958 E959 R960 K965 I966 | S958-R962 WeakPolarHBondContact O-CB 3.47Å; S958-R962 PolarHBondContact O-N 2.85Å; E959-R962 WeakPolarHBondContact O-CB 3.31Å; E959-R962 PolarHBondContact O-N 3.49Å; E959-R962 IonicContact OE1-CZ 2.7Å; E959-R962 IonicContact OE1-NE 3.73Å; E959-R962 PolarHBondContact OE1-NE 3.17Å; E959-R962 IonicContact OE1-NH2 2.64Å; E959-R962 PolarHBondContact OE1-NH2 2.88Å; E959-R962 IonicContact OE2-CZ 2.79Å; E959-R962 IonicContact OE2-NE 3.29Å; E959-R962 PolarHBondContact OE2-NE 3.47Å; E959-R962 IonicContact OE2-NH2 3.15Å; R960-R962 VanDerWaalsContact C-N 3.31Å; R960-R962 PolarHBondContact O-N 3.3Å; R962-K965 PolarHBondContact O-N 3.31Å; R962-I966 HydrophobicContact CG-CD1 4.14Å; R962-I966 VanDerWaalsContact O-CG1 3.3Å; R962-I966 WeakPolarHBondContact O-CG1 3.45Å; R962-I966 PolarHBondContact O-N 3.29Å |
| 963 | I | 85.7 | Confident | 84.6 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.5 | -69.2 | 167.1 | 0 | 0 | 0 | 110.5 | E425 A429 E959 R960 K965 I966 C967 | E425-I963 HydrophobicContact CB-CG2 3.98Å; A429-I963 HydrophobicContact CB-CD1 3.71Å; E959-I963 HydrophobicContact CG-CD1 4.1Å; E959-I963 WeakPolarHBondContact O-CG1 3.26Å; E959-I963 PolarHBondContact O-N 3.49Å; R960-I963 PolarHBondContact O-N 3.19Å; I963-K965 PolarHBondContact O-N 2.93Å; I963-I966 PolarHBondContact O-N 3.4Å; I963-C967 WeakPolarHBondContact O-CB 3.32Å; I963-C967 PolarHBondContact O-N 3.11Å; I963-C967 PolarHBondContact O-SG 3.39Å |
| 964 | A | 80.8 | Confident | 84.6 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E426 R960 I966 C967 E968 | E426-A964 WeakPolarHBondContact OE1-CB 3.23Å; R960-A964 VanDerWaalsContact O-CB 3.23Å; R960-A964 WeakPolarHBondContact O-CB 3.49Å; R960-A964 PolarHBondContact O-N 3.33Å; A964-I966 PolarHBondContact O-N 2.93Å; A964-C967 PolarHBondContact O-N 3.36Å; A964-E968 VanDerWaalsContact O-CB 3.24Å; A964-E968 WeakPolarHBondContact O-CB 3.17Å; A964-E968 PolarHBondContact O-N 3.41Å |
| 965 | K | 83.8 | Confident | 84.6 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 174.4 | -80.4 | -177.1 | 178.5 | -172.4 | 0 | 112.9 | S961 R962 I963 Q969 | S961-K965 WeakPolarHBondContact O-CB 3.36Å; S961-K965 WeakPolarHBondContact O-CG 3.4Å; S961-K965 PolarHBondContact O-N 2.68Å; R962-K965 PolarHBondContact O-N 3.31Å; I963-K965 PolarHBondContact O-N 2.93Å; K965-Q969 VanDerWaalsContact O-CB 3.3Å; K965-Q969 WeakPolarHBondContact O-CB 3.31Å; K965-Q969 WeakPolarHBondContact O-CG 3.23Å; K965-Q969 PolarHBondContact O-N 3.35Å |
| 966 | I | 86 | Confident | 84.5 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 177.1 | -68.9 | 165.7 | 0 | 0 | 0 | 110.2 | R962 I963 A964 Q969 N970 | R962-I966 HydrophobicContact CG-CD1 4.14Å; R962-I966 VanDerWaalsContact O-CG1 3.3Å; R962-I966 WeakPolarHBondContact O-CG1 3.45Å; R962-I966 PolarHBondContact O-N 3.29Å; I963-I966 PolarHBondContact O-N 3.4Å; A964-I966 PolarHBondContact O-N 2.93Å; I966-Q969 PolarHBondContact O-N 3.44Å; I966-N970 WeakPolarHBondContact O-CB 3.35Å; I966-N970 PolarHBondContact O-N 3.02Å; I966-N970 PolarHBondContact O-ND2 3.37Å |
| 967 | C | 84.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.6 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | I963 A964 N970 I971 | I963-C967 WeakPolarHBondContact O-CB 3.32Å; I963-C967 PolarHBondContact O-N 3.11Å; I963-C967 PolarHBondContact O-SG 3.39Å; A964-C967 PolarHBondContact O-N 3.36Å; C967-N970 PolarHBondContact O-N 3.39Å; C967-I971 WeakPolarHBondContact O-CB 3.19Å; C967-I971 VanDerWaalsContact O-CG1 3.25Å; C967-I971 WeakPolarHBondContact O-CG1 3.3Å; C967-I971 PolarHBondContact O-N 2.8Å |
| 968 | E | 81.1 | Confident | 84.4 | Confident | 132 Ų | 132 | 71.4 Ų | 71.4 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 176.8 | -170.6 | 171.2 | -152.8 | 0 | 0 | 111 | A964 N970 I971 E972 | A964-E968 VanDerWaalsContact O-CB 3.24Å; A964-E968 WeakPolarHBondContact O-CB 3.17Å; A964-E968 PolarHBondContact O-N 3.41Å; E968-N970 PolarHBondContact O-N 3.49Å; E968-I971 PolarHBondContact O-N 3.26Å; E968-E972 WeakPolarHBondContact O-CB 3.3Å; E968-E972 PolarHBondContact O-N 2.91Å |
| 969 | Q | 85.2 | Confident | 84.3 | Confident | 101 Ų | 101 | 72.7 Ų | 72.7 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.3 | -77.3 | 174.8 | -14 | 0 | 0 | 112.7 | K965 I966 E972 Q973 | K965-Q969 VanDerWaalsContact O-CB 3.3Å; K965-Q969 WeakPolarHBondContact O-CB 3.31Å; K965-Q969 WeakPolarHBondContact O-CG 3.23Å; K965-Q969 PolarHBondContact O-N 3.35Å; I966-Q969 PolarHBondContact O-N 3.44Å; Q969-E972 PolarHBondContact O-N 3.18Å; Q969-Q973 WeakPolarHBondContact O-CB 3.43Å; Q969-Q973 VanDerWaalsContact O-CG 3.22Å; Q969-Q973 WeakPolarHBondContact O-CG 3.36Å; Q969-Q973 PolarHBondContact O-N 2.88Å |
| 970 | N | 86.6 | Confident | 84.2 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 178.7 | -70.1 | -18 | 0 | 0 | 0 | 111.3 | V418 I966 C967 E968 A974 | V418-N970 HydrophobicContact CG1-CB 3.92Å; I966-N970 WeakPolarHBondContact O-CB 3.35Å; I966-N970 PolarHBondContact O-N 3.02Å; I966-N970 PolarHBondContact O-ND2 3.37Å; C967-N970 PolarHBondContact O-N 3.39Å; E968-N970 PolarHBondContact O-N 3.49Å; N970-A974 WeakPolarHBondContact O-CB 3.35Å; N970-A974 PolarHBondContact O-N 3.33Å |
| 971 | I | 85.6 | Confident | 84 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 175.2 | -68.7 | 168.1 | 0 | 0 | 0 | 110.2 | V418 K419 C967 E968 A974 T975 | V418-I971 HydrophobicContact CG1-CG1 4.12Å; K419-I971 HydrophobicContact CG-CD1 4.42Å; K419-I971 HydrophobicContact CG-CG1 4.33Å; C967-I971 WeakPolarHBondContact O-CB 3.19Å; C967-I971 VanDerWaalsContact O-CG1 3.25Å; C967-I971 WeakPolarHBondContact O-CG1 3.3Å; C967-I971 PolarHBondContact O-N 2.8Å; E968-I971 PolarHBondContact O-N 3.26Å; I971-A974 PolarHBondContact O-N 3.32Å; I971-T975 WeakPolarHBondContact O-CB 3.49Å; I971-T975 PolarHBondContact O-N 3.45Å; I971-T975 PolarHBondContact O-OG1 3.02Å |
| 972 | E | 83.6 | Confident | 84.1 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63 | -49.1 | 177.1 | -172.5 | 174.5 | -160.1 | 0 | 0 | 110.4 | E968 Q969 A974 T975 T976 | E968-E972 WeakPolarHBondContact O-CB 3.3Å; E968-E972 PolarHBondContact O-N 2.91Å; Q969-E972 PolarHBondContact O-N 3.18Å; E972-A974 VanDerWaalsContact C-N 3.35Å; E972-A974 PolarHBondContact O-N 3.01Å; E972-T975 CarbonylContact O-C 3.54Å; E972-T975 PolarHBondContact O-N 3.39Å; E972-T975 VanDerWaalsContact O-N 3.11Å; E972-T976 HydrophobicContact CG-CG2 4.28Å; E972-T976 WeakPolarHBondContact O-CG2 3.38Å; E972-T976 PolarHBondContact O-N 3.18Å; E972-T976 PolarHBondContact O-OG1 3.15Å |
| 973 | Q | 84.6 | Confident | 83.8 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.9 | -42 | 175.6 | -75.7 | 176.4 | 12.5 | 0 | 0 | 112.9 | Q969 T976 K977 | Q969-Q973 WeakPolarHBondContact O-CB 3.43Å; Q969-Q973 VanDerWaalsContact O-CG 3.22Å; Q969-Q973 WeakPolarHBondContact O-CG 3.36Å; Q969-Q973 PolarHBondContact O-N 2.88Å; Q973-T976 WeakPolarHBondContact CA-OG1 3.05Å; Q973-T976 PolarHBondContact O-OG1 2.94Å; Q973-K977 WeakPolarHBondContact O-CB 3.26Å; Q973-K977 PolarHBondContact O-N 2.71Å; Q973-K977 VanDerWaalsContact O-N 3.12Å |
| 974 | A | 85.7 | Confident | 83.5 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L415 N970 I971 E972 V978 | L415-A974 HydrophobicContact CB-CB 4.37Å; L415-A974 HydrophobicContact CD1-CB 3.67Å; N970-A974 WeakPolarHBondContact O-CB 3.35Å; N970-A974 PolarHBondContact O-N 3.33Å; I971-A974 PolarHBondContact O-N 3.32Å; E972-A974 VanDerWaalsContact C-N 3.35Å; E972-A974 PolarHBondContact O-N 3.01Å; A974-V978 WeakPolarHBondContact O-CG2 3.32Å; A974-V978 PolarHBondContact O-N 2.87Å; A974-V978 VanDerWaalsContact O-N 3.1Å |
| 975 | T | 82.3 | Confident | 83.6 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73 | -40.7 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | I971 E972 K977 V978 N979 | I971-T975 WeakPolarHBondContact O-CB 3.49Å; I971-T975 PolarHBondContact O-N 3.45Å; I971-T975 PolarHBondContact O-OG1 3.02Å; E972-T975 CarbonylContact O-C 3.54Å; E972-T975 PolarHBondContact O-N 3.39Å; E972-T975 VanDerWaalsContact O-N 3.11Å; T975-K977 VanDerWaalsContact C-N 3.31Å; T975-K977 PolarHBondContact O-N 2.83Å; T975-V978 PolarHBondContact O-N 2.9Å; T975-N979 VanDerWaalsContact O-CB 3.32Å; T975-N979 WeakPolarHBondContact O-CB 3.27Å; T975-N979 PolarHBondContact O-N 3.15Å; T975-N979 PolarHBondContact O-ND2 2.94Å |
| 976 | T | 82.5 | Confident | 83.6 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 36% | 0.362 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 174.5 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | E972 Q973 V978 N979 E980 | E972-T976 HydrophobicContact CG-CG2 4.28Å; E972-T976 WeakPolarHBondContact O-CG2 3.38Å; E972-T976 PolarHBondContact O-N 3.18Å; E972-T976 PolarHBondContact O-OG1 3.15Å; Q973-T976 WeakPolarHBondContact CA-OG1 3.05Å; Q973-T976 PolarHBondContact O-OG1 2.94Å; T976-V978 PolarHBondContact O-N 2.9Å; T976-N979 PolarHBondContact O-N 3.3Å; T976-E980 VanDerWaalsContact O-CB 3.25Å; T976-E980 WeakPolarHBondContact O-CB 3Å; T976-E980 WeakPolarHBondContact O-CG 3.31Å; T976-E980 PolarHBondContact O-N 3.41Å |
| 977 | K | 82.6 | Confident | 83.4 | Confident | 92 Ų | 92 | 71.3 Ų | 71.3 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 174.9 | -170.4 | 180 | 176 | -168.4 | 0 | 112.1 | Q973 T975 E980 I981 | Q973-K977 WeakPolarHBondContact O-CB 3.26Å; Q973-K977 PolarHBondContact O-N 2.71Å; Q973-K977 VanDerWaalsContact O-N 3.12Å; T975-K977 VanDerWaalsContact C-N 3.31Å; T975-K977 PolarHBondContact O-N 2.83Å; K977-E980 PolarHBondContact O-N 3.28Å; K977-I981 HydrophobicContact CG-CD1 4.06Å; K977-I981 WeakPolarHBondContact O-CD1 3.42Å; K977-I981 VanDerWaalsContact O-CG1 3.26Å; K977-I981 WeakPolarHBondContact O-CG1 3.07Å; K977-I981 PolarHBondContact O-N 3.38Å; K977-I981 VanDerWaalsContact O-N 3.11Å |
| 978 | V | 84.8 | Confident | 83.3 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L408 E412 L415 A974 T975 T976 I981 G982 | L408-V978 HydrophobicContact CD1-CG1 4.11Å; E412-V978 HydrophobicContact CG-CG1 4.3Å; L415-V978 HydrophobicContact CB-CG2 4.42Å; L415-V978 HydrophobicContact CD2-CG2 4.37Å; A974-V978 WeakPolarHBondContact O-CG2 3.32Å; A974-V978 PolarHBondContact O-N 2.87Å; A974-V978 VanDerWaalsContact O-N 3.1Å; T975-V978 PolarHBondContact O-N 2.9Å; T976-V978 PolarHBondContact O-N 2.9Å; V978-I981 PolarHBondContact O-N 3.27Å; V978-G982 PolarHBondContact O-N 3.45Å |
| 979 | N | 82.2 | Confident | 83.3 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 179 | -71.9 | -15.8 | 0 | 0 | 0 | 112.4 | T975 T976 G982 E983 | T975-N979 VanDerWaalsContact O-CB 3.32Å; T975-N979 WeakPolarHBondContact O-CB 3.27Å; T975-N979 PolarHBondContact O-N 3.15Å; T975-N979 PolarHBondContact O-ND2 2.94Å; T976-N979 PolarHBondContact O-N 3.3Å; N979-G982 PolarHBondContact O-N 3.35Å; N979-E983 VanDerWaalsContact O-CB 3.3Å; N979-E983 WeakPolarHBondContact O-CB 3.49Å; N979-E983 WeakPolarHBondContact O-CG 3.18Å; N979-E983 PolarHBondContact O-N 2.84Å |
| 980 | E | 83.9 | Confident | 83 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.1 | -80.5 | 173.9 | -164.8 | 0 | 0 | 111.3 | T976 K977 K984 | T976-E980 VanDerWaalsContact O-CB 3.25Å; T976-E980 WeakPolarHBondContact O-CB 3Å; T976-E980 WeakPolarHBondContact O-CG 3.31Å; T976-E980 PolarHBondContact O-N 3.41Å; K977-E980 PolarHBondContact O-N 3.28Å; E980-K984 WeakPolarHBondContact O-CB 3.43Å; E980-K984 VanDerWaalsContact O-CG 3.29Å; E980-K984 WeakPolarHBondContact O-CG 3.5Å; E980-K984 PolarHBondContact O-N 3.44Å; E980-K984 VanDerWaalsContact O-N 3.13Å |
| 981 | I | 83.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 176.9 | -63.5 | 160.6 | 0 | 0 | 0 | 109.8 | Y380 V404 L407 L408 S411 K977 V978 K984 L985 | Y380-I981 HydrophobicContact CE1-CG1 4.07Å; V404-I981 HydrophobicContact CG1-CG2 4.06Å; L407-I981 HydrophobicContact CD2-CD1 3.69Å; L407-I981 HydrophobicContact CD2-CG1 4.12Å; L407-I981 HydrophobicContact CD2-CG2 4.46Å; L408-I981 HydrophobicContact CB-CG2 3.87Å; L408-I981 HydrophobicContact CD1-CB 4.22Å; L408-I981 HydrophobicContact CD1-CG2 4Å; S411-I981 WeakPolarHBondContact OG-CD1 3.35Å; K977-I981 HydrophobicContact CG-CD1 4.06Å; K977-I981 WeakPolarHBondContact O-CD1 3.42Å; K977-I981 VanDerWaalsContact O-CG1 3.26Å; K977-I981 WeakPolarHBondContact O-CG1 3.07Å; K977-I981 PolarHBondContact O-N 3.38Å; K977-I981 VanDerWaalsContact O-N 3.11Å; V978-I981 PolarHBondContact O-N 3.27Å; I981-K984 PolarHBondContact O-N 3.46Å; I981-L985 WeakPolarHBondContact O-CB 3Å; I981-L985 PolarHBondContact O-N 2.89Å |
| 982 | G | 82.4 | Confident | 82.4 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V978 N979 L985 K986 | V978-G982 PolarHBondContact O-N 3.45Å; N979-G982 PolarHBondContact O-N 3.35Å; G982-L985 PolarHBondContact O-N 3.37Å; G982-K986 WeakPolarHBondContact O-CB 3.19Å; G982-K986 PolarHBondContact O-N 3.5Å |
| 983 | E | 83 | Confident | 82.3 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.9 | -84.5 | -161.3 | -176.8 | 0 | 0 | 112.1 | N979 K986 K987 | N979-E983 VanDerWaalsContact O-CB 3.3Å; N979-E983 WeakPolarHBondContact O-CB 3.49Å; N979-E983 WeakPolarHBondContact O-CG 3.18Å; N979-E983 PolarHBondContact O-N 2.84Å; E983-K986 PolarHBondContact O-N 3.49Å; E983-K987 WeakPolarHBondContact O-CB 3.46Å; E983-K987 VanDerWaalsContact O-CG 3.28Å; E983-K987 WeakPolarHBondContact O-CG 3.27Å; E983-K987 PolarHBondContact O-N 3.43Å; E983-K987 IonicContact OE2-NZ 3.99Å; E983-K987 PolarHBondContact OE2-NZ 3.27Å |
| 984 | K | 79.9 | Confident | 81.9 | Confident | 49 Ų | 49 | 58 Ų | 58 | 21% | 0.213 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 176.7 | -76.5 | 179.9 | -176.6 | 176.6 | 0 | 111.1 | N379 Y380 E980 I981 K987 L988 | N379-K984 PolarHBondContact ND2-NZ 3.48Å; Y380-K984 HydrophobicContact CE2-CD 3.62Å; Y380-K984 PolarHBondContact OH-NZ 3.44Å; E980-K984 WeakPolarHBondContact O-CB 3.43Å; E980-K984 VanDerWaalsContact O-CG 3.29Å; E980-K984 WeakPolarHBondContact O-CG 3.5Å; E980-K984 PolarHBondContact O-N 3.44Å; E980-K984 VanDerWaalsContact O-N 3.13Å; I981-K984 PolarHBondContact O-N 3.46Å; K984-K987 PolarHBondContact O-N 3.25Å; K984-L988 VanDerWaalsContact O-CB 3.31Å; K984-L988 WeakPolarHBondContact O-CB 3.36Å; K984-L988 PolarHBondContact O-N 3.32Å |
| 985 | L | 82.5 | Confident | 81.6 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.4 | -173.2 | 65.5 | 0 | 0 | 0 | 111.3 | V404 L408 I981 G982 L988 N989 | V404-L985 HydrophobicContact CB-CD1 4.12Å; V404-L985 HydrophobicContact CG1-CB 4.06Å; V404-L985 HydrophobicContact CG1-CD1 3.84Å; V404-L985 HydrophobicContact CG1-CG 4.42Å; L408-L985 HydrophobicContact CD2-CD2 4.05Å; I981-L985 WeakPolarHBondContact O-CB 3Å; I981-L985 PolarHBondContact O-N 2.89Å; G982-L985 PolarHBondContact O-N 3.37Å; L985-L988 PolarHBondContact O-N 2.87Å; L985-N989 WeakPolarHBondContact O-CB 3.36Å; L985-N989 PolarHBondContact O-N 3.48Å |
| 986 | K | 82.6 | Confident | 81.2 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.9 | -47.6 | 176 | -173.6 | -179 | 176.9 | -175.9 | 0 | 112.3 | G982 E983 L988 N989 D990 | G982-K986 WeakPolarHBondContact O-CB 3.19Å; G982-K986 PolarHBondContact O-N 3.5Å; E983-K986 PolarHBondContact O-N 3.49Å; K986-L988 VanDerWaalsContact C-N 3.28Å; K986-L988 PolarHBondContact O-N 2.88Å; K986-N989 PolarHBondContact O-N 3.14Å; K986-D990 WeakPolarHBondContact O-CB 3.31Å; K986-D990 VanDerWaalsContact O-CG 3.24Å; K986-D990 PolarHBondContact O-N 2.91Å |
| 987 | K | 82.4 | Confident | 80.7 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 176 | -75.1 | 171.4 | -174.4 | 160.8 | 0 | 111.5 | I372 E983 K984 A991 | I372-K987 HydrophobicContact CD1-CB 4.29Å; E983-K987 WeakPolarHBondContact O-CB 3.46Å; E983-K987 VanDerWaalsContact O-CG 3.28Å; E983-K987 WeakPolarHBondContact O-CG 3.27Å; E983-K987 PolarHBondContact O-N 3.43Å; E983-K987 IonicContact OE2-NZ 3.99Å; E983-K987 PolarHBondContact OE2-NZ 3.27Å; K984-K987 PolarHBondContact O-N 3.25Å; K987-A991 WeakPolarHBondContact O-CB 3.49Å; K987-A991 PolarHBondContact O-N 3.09Å |
| 988 | L | 82.4 | Confident | 80 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 174.9 | 179.4 | 61.7 | 0 | 0 | 0 | 110.8 | I372 L373 I376 I400 M401 K984 L985 K986 A991 C992 | I372-L988 HydrophobicContact CG2-CB 4.03Å; I372-L988 HydrophobicContact CG2-CD1 4.18Å; L373-L988 HydrophobicContact CD2-CD1 3.55Å; L373-L988 HydrophobicContact CD2-CD2 4.11Å; L373-L988 HydrophobicContact CD2-CG 4.5Å; L373-L988 HydrophobicContact CG-CD1 3.72Å; I376-L988 HydrophobicContact CD1-CB 4.12Å; I376-L988 HydrophobicContact CD1-CD2 3.76Å; I376-L988 HydrophobicContact CD1-CG 4.38Å; I400-L988 HydrophobicContact CG2-CD2 4.48Å; M401-L988 HydrophobicContact CG-CD2 3.76Å; M401-L988 HydrophobicContact CG-CG 4.42Å; K984-L988 VanDerWaalsContact O-CB 3.31Å; K984-L988 WeakPolarHBondContact O-CB 3.36Å; K984-L988 PolarHBondContact O-N 3.32Å; L985-L988 PolarHBondContact O-N 2.87Å; K986-L988 VanDerWaalsContact C-N 3.28Å; K986-L988 PolarHBondContact O-N 2.88Å; L988-A991 PolarHBondContact O-N 3.32Å; L988-C992 WeakPolarHBondContact O-CB 3.36Å; L988-C992 PolarHBondContact O-N 2.96Å; L988-C992 PolarHBondContact O-SG 3.39Å |
| 989 | N | 81.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 64 Ų | 64 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 178.9 | -156.8 | 26.4 | 0 | 0 | 0 | 111.4 | L985 K986 A991 C992 T993 | L985-N989 WeakPolarHBondContact O-CB 3.36Å; L985-N989 PolarHBondContact O-N 3.48Å; K986-N989 PolarHBondContact O-N 3.14Å; N989-A991 VanDerWaalsContact C-N 3.29Å; N989-A991 PolarHBondContact O-N 3.49Å; N989-C992 PolarHBondContact O-N 3.17Å; N989-T993 PolarHBondContact O-N 2.89Å; N989-T993 PolarHBondContact O-OG1 3.36Å |
| 990 | D | 79.8 | Confident | 78.5 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.4 | -67.3 | -18.5 | 0 | 0 | 0 | 111.7 | K986 S994 | K986-D990 WeakPolarHBondContact O-CB 3.31Å; K986-D990 VanDerWaalsContact O-CG 3.24Å; K986-D990 PolarHBondContact O-N 2.91Å; D990-S994 VanDerWaalsContact O-CB 3.29Å; D990-S994 WeakPolarHBondContact O-CB 3.19Å; D990-S994 PolarHBondContact O-N 2.9Å; D990-S994 PolarHBondContact O-OG 2.96Å |
| 991 | A | 79.5 | Confident | 77.6 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R369 I372 K987 L988 N989 S994 V995 | R369-A991 HydrophobicContact CB-CB 4.2Å; I372-A991 HydrophobicContact CD1-CB 3.82Å; K987-A991 WeakPolarHBondContact O-CB 3.49Å; K987-A991 PolarHBondContact O-N 3.09Å; L988-A991 PolarHBondContact O-N 3.32Å; N989-A991 VanDerWaalsContact C-N 3.29Å; N989-A991 PolarHBondContact O-N 3.49Å; A991-S994 PolarHBondContact O-N 3.46Å; A991-V995 WeakPolarHBondContact O-CG2 3.4Å; A991-V995 PolarHBondContact O-N 3.16Å |
| 992 | C | 80.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 10% | 0.095 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 173.9 | -70.1 | 0 | 0 | 0 | 0 | 111 | L988 N989 S994 V995 E996 | L988-C992 WeakPolarHBondContact O-CB 3.36Å; L988-C992 PolarHBondContact O-N 2.96Å; L988-C992 PolarHBondContact O-SG 3.39Å; N989-C992 PolarHBondContact O-N 3.17Å; C992-S994 VanDerWaalsContact C-N 3.3Å; C992-S994 PolarHBondContact O-N 2.83Å; C992-V995 PolarHBondContact O-N 3.23Å; C992-E996 PolarHBondContact O-N 3.01Å |
| 993 | T | 80.3 | Confident | 76.5 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 176.7 | -47.3 | 0 | 0 | 0 | 0 | 112.1 | N989 E996 F997 | N989-T993 PolarHBondContact O-N 2.89Å; N989-T993 PolarHBondContact O-OG1 3.36Å; T993-E996 PolarHBondContact O-N 3.44Å; T993-F997 VanDerWaalsContact O-CB 3.29Å; T993-F997 WeakPolarHBondContact O-CB 3.04Å; T993-F997 PolarHBondContact O-N 2.82Å |
| 994 | S | 78 | Confident | 76 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | D990 A991 C992 A998 | D990-S994 VanDerWaalsContact O-CB 3.29Å; D990-S994 WeakPolarHBondContact O-CB 3.19Å; D990-S994 PolarHBondContact O-N 2.9Å; D990-S994 PolarHBondContact O-OG 2.96Å; A991-S994 PolarHBondContact O-N 3.46Å; C992-S994 VanDerWaalsContact C-N 3.3Å; C992-S994 PolarHBondContact O-N 2.83Å; S994-A998 VanDerWaalsContact O-CB 3.27Å; S994-A998 WeakPolarHBondContact O-CB 3.32Å; S994-A998 PolarHBondContact O-N 3.22Å |
| 995 | V | 78.1 | Confident | 75.7 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.5 | -46.7 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | A365 I366 R369 A991 C992 F997 A998 L999 | A365-V995 HydrophobicContact CB-CG2 4.06Å; I366-V995 HydrophobicContact CG1-CG1 4.23Å; I366-V995 HydrophobicContact CG1-CG2 4.19Å; R369-V995 HydrophobicContact CB-CG2 4.05Å; A991-V995 WeakPolarHBondContact O-CG2 3.4Å; A991-V995 PolarHBondContact O-N 3.16Å; C992-V995 PolarHBondContact O-N 3.23Å; V995-F997 PolarHBondContact O-N 2.89Å; V995-A998 PolarHBondContact O-N 3.36Å; V995-L999 HydrophobicContact CG1-CD1 3.65Å; V995-L999 WeakPolarHBondContact O-CB 3.43Å; V995-L999 PolarHBondContact O-N 3.48Å |
| 996 | E | 74 | Confident | 75.4 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.4 | -52.1 | 174.9 | -74.7 | 179.4 | 173.5 | 0 | 0 | 111.3 | C992 T993 A998 L999 N1000 | C992-E996 PolarHBondContact O-N 3.01Å; T993-E996 PolarHBondContact O-N 3.44Å; E996-A998 VanDerWaalsContact C-N 3.31Å; E996-A998 PolarHBondContact O-N 3.25Å; E996-L999 PolarHBondContact O-N 3Å; E996-N1000 PolarHBondContact O-N 2.96Å; E996-N1000 PolarHBondContact O-ND2 3.27Å; E996-N1000 PolarHBondContact O-OD1 3.4Å |
| 997 | F | 72.7 | Confident | 75.1 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 179.3 | -175.3 | -96.6 | 0 | 0 | 0 | 112.8 | D652 T993 V995 | D652-F997 VanDerWaalsContact OD2-CE2 3.32Å; D652-F997 WeakPolarHBondContact OD2-CE2 3.31Å; T993-F997 VanDerWaalsContact O-CB 3.29Å; T993-F997 WeakPolarHBondContact O-CB 3.04Å; T993-F997 PolarHBondContact O-N 2.82Å; V995-F997 PolarHBondContact O-N 2.89Å |
| 998 | A | 67.6 | Low | 74.8 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.5 | -29.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L362 S994 V995 E996 N1000 S1001 | L362-A998 HydrophobicContact CB-CB 4.32Å; L362-A998 HydrophobicContact CD1-CB 3.55Å; S994-A998 VanDerWaalsContact O-CB 3.27Å; S994-A998 WeakPolarHBondContact O-CB 3.32Å; S994-A998 PolarHBondContact O-N 3.22Å; V995-A998 PolarHBondContact O-N 3.36Å; E996-A998 VanDerWaalsContact C-N 3.31Å; E996-A998 PolarHBondContact O-N 3.25Å; A998-N1000 VanDerWaalsContact C-N 3.34Å; A998-S1001 PolarHBondContact O-OG 2.92Å; A998-S1001 VanDerWaalsContact O-OG 3.11Å |
| 999 | L | 68.4 | Low | 74.7 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70 | -31.1 | 175.4 | -98.9 | 142.1 | 0 | 0 | 0 | 112.5 | L362 V995 E996 S1001 | L362-L999 HydrophobicContact CD1-CG 4.29Å; V995-L999 HydrophobicContact CG1-CD1 3.65Å; V995-L999 WeakPolarHBondContact O-CB 3.43Å; V995-L999 PolarHBondContact O-N 3.48Å; E996-L999 PolarHBondContact O-N 3Å; L999-S1001 PolarHBondContact O-N 3.29Å |
| 1000 | N | 66.8 | Low | 74.6 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.1 | -174.3 | -60.8 | -20.9 | 0 | 0 | 0 | 114.6 | I656 E996 A998 | I656-N1000 HydrophobicContact CD1-CB 3.67Å; I656-N1000 WeakPolarHBondContact CD1-ND2 3.32Å; I656-N1000 WeakPolarHBondContact CD1-OD1 3.47Å; I656-N1000 HydrophobicContact CG1-CB 3.46Å; I656-N1000 VanDerWaalsContact CG1-CB 3.46Å; I656-N1000 WeakPolarHBondContact CG1-OD1 3.43Å; E996-N1000 PolarHBondContact O-N 2.96Å; E996-N1000 PolarHBondContact O-ND2 3.27Å; E996-N1000 PolarHBondContact O-OD1 3.4Å; A998-N1000 VanDerWaalsContact C-N 3.34Å |
| 1001 | S | 64.8 | Low | 74.4 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1.2 | -175.9 | 61.5 | 0 | 0 | 0 | 0 | 115 | A998 L999 P1003 | A998-S1001 PolarHBondContact O-OG 2.92Å; A998-S1001 VanDerWaalsContact O-OG 3.11Å; L999-S1001 PolarHBondContact O-N 3.29Å; S1001-P1003 VanDerWaalsContact C-CD 3.41Å; S1001-P1003 VanDerWaalsContact C-N 3.33Å |
| 1002 | Q | 72.1 | Confident | 74.4 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | trans | 41.7 | 48.9 | -177.7 | -65.2 | 179.1 | -20.6 | 0 | 0 | 114.3 | L1004 E1005 | Q1002-L1004 VanDerWaalsContact C-N 3.25Å; Q1002-L1004 PolarHBondContact O-N 2.94Å; Q1002-E1005 PolarHBondContact O-N 2.96Å | ||
| 1003 | P | 70.2 | Confident | 74.4 | Confident | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.032 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -26 | -169.3 | 27.1 | -33.8 | 0 | 0 | 0 | 113.2 | I355 E358 V359 L362 S1001 L1007 | I355-P1003 WeakPolarHBondContact CG2-O 3.41Å; E358-P1003 HydrophobicContact CB-CB 4.21Å; V359-P1003 HydrophobicContact CG2-CB 3.93Å; V359-P1003 HydrophobicContact CG2-CG 4.47Å; L362-P1003 HydrophobicContact CD2-CG 4.2Å; S1001-P1003 VanDerWaalsContact C-CD 3.41Å; S1001-P1003 VanDerWaalsContact C-N 3.33Å; P1003-L1007 WeakPolarHBondContact O-CB 3.4Å; P1003-L1007 PolarHBondContact O-N 3.12Å |
| 1004 | L | 72.8 | Confident | 74.4 | Confident | 117 Ų | 117 | 74.8 Ų | 74.8 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.8 | -39.5 | 179.7 | -72.5 | 161.3 | 0 | 0 | 0 | 113.3 | V359 Q1002 | V359-L1004 HydrophobicContact CG1-CD2 4.5Å; Q1002-L1004 VanDerWaalsContact C-N 3.25Å; Q1002-L1004 PolarHBondContact O-N 2.94Å |
| 1005 | E | 73.9 | Confident | 74.5 | Confident | 130 Ų | 130 | 77.8 Ų | 77.8 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -75.3 | -39.1 | -179.7 | -71.5 | -175.5 | 162.1 | 0 | 0 | 112.1 | Q1002 L1007 K1008 T1009 | Q1002-E1005 PolarHBondContact O-N 2.96Å; E1005-L1007 VanDerWaalsContact C-N 3.35Å; E1005-L1007 PolarHBondContact O-N 3.3Å; E1005-K1008 WeakPolarHBondContact O-CB 3.49Å; E1005-K1008 PolarHBondContact O-N 2.85Å; E1005-T1009 PolarHBondContact O-N 3.47Å; E1005-T1009 PolarHBondContact O-OG1 2.93Å |
| 1006 | R | 75.3 | Confident | 74.7 | Confident | 115 Ų | 115 | 79.2 Ų | 79.2 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 177 | -65.9 | 171.9 | 61.4 | -149.4 | -3.8 | 112 | I355 E358 K1008 T1009 I1010 | I355-R1006 HydrophobicContact CD1-CB 3.64Å; E358-R1006 IonicContact OE2-NH1 3.23Å; E358-R1006 PolarHBondContact OE2-NH1 3.33Å; R1006-K1008 VanDerWaalsContact C-N 3.29Å; R1006-K1008 PolarHBondContact O-N 3.23Å; R1006-T1009 PolarHBondContact O-N 2.76Å; R1006-I1010 PolarHBondContact O-N 3Å |
| 1007 | L | 76.8 | Confident | 75.1 | Confident | 34 Ų | 34 | 75 Ų | 75 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 176.4 | -177.1 | 62.1 | 0 | 0 | 0 | 111.8 | I355 E356 V359 P1003 E1005 T1009 I1010 L1011 | I355-L1007 HydrophobicContact CG2-CB 3.84Å; I355-L1007 HydrophobicContact CG2-CD1 4.25Å; E356-L1007 HydrophobicContact CG-CD1 3.85Å; V359-L1007 HydrophobicContact CG2-CD2 4.36Å; P1003-L1007 WeakPolarHBondContact O-CB 3.4Å; P1003-L1007 PolarHBondContact O-N 3.12Å; E1005-L1007 VanDerWaalsContact C-N 3.35Å; E1005-L1007 PolarHBondContact O-N 3.3Å; L1007-T1009 VanDerWaalsContact C-N 3.35Å; L1007-T1009 PolarHBondContact O-N 3.41Å; L1007-I1010 PolarHBondContact O-N 3.15Å; L1007-L1011 HydrophobicContact CG-CD1 4.2Å; L1007-L1011 WeakPolarHBondContact O-CG 3.26Å; L1007-L1011 PolarHBondContact O-N 2.81Å |
| 1008 | K | 76.8 | Confident | 75.4 | Confident | 145 Ų | 145 | 76.2 Ų | 76.2 | 63% | 0.63 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 179.3 | -164.2 | 179.9 | 179.5 | -174.5 | 0 | 111.8 | E1005 R1006 L1011 E1012 | E1005-K1008 WeakPolarHBondContact O-CB 3.49Å; E1005-K1008 PolarHBondContact O-N 2.85Å; R1006-K1008 VanDerWaalsContact C-N 3.29Å; R1006-K1008 PolarHBondContact O-N 3.23Å; K1008-L1011 PolarHBondContact O-N 3.45Å; K1008-E1012 PolarHBondContact O-N 2.81Å |
| 1009 | T | 79 | Confident | 76.1 | Confident | 85 Ų | 85 | 82.6 Ų | 82.6 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | -179.2 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | E1005 R1006 L1007 E1012 T1013 | E1005-T1009 PolarHBondContact O-N 3.47Å; E1005-T1009 PolarHBondContact O-OG1 2.93Å; R1006-T1009 PolarHBondContact O-N 2.76Å; L1007-T1009 VanDerWaalsContact C-N 3.35Å; L1007-T1009 PolarHBondContact O-N 3.41Å; T1009-E1012 PolarHBondContact O-N 2.91Å; T1009-T1013 PolarHBondContact O-N 3.33Å |
| 1010 | I | 79.5 | Confident | 76.8 | Confident | 21 Ų | 21 | 81.9 Ų | 81.9 | 11% | 0.108 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 179.7 | -67.1 | -170.6 | 0 | 0 | 0 | 111.8 | T348 E351 K352 I355 R1006 L1007 E1012 T1013 A1014 | T348-I1010 HydrophobicContact CG2-CG2 4.14Å; E351-I1010 HydrophobicContact CB-CD1 3.86Å; K352-I1010 HydrophobicContact CB-CG2 3.88Å; I355-I1010 HydrophobicContact CD1-CD1 3.38Å; I355-I1010 HydrophobicContact CD1-CG1 4.31Å; I355-I1010 HydrophobicContact CG1-CD1 4.17Å; R1006-I1010 PolarHBondContact O-N 3Å; L1007-I1010 PolarHBondContact O-N 3.15Å; I1010-E1012 VanDerWaalsContact C-N 3.3Å; I1010-E1012 PolarHBondContact O-N 2.69Å; I1010-T1013 PolarHBondContact O-N 3.26Å; I1010-T1013 PolarHBondContact O-OG1 3.47Å; I1010-A1014 PolarHBondContact O-N 3.08Å |
| 1011 | L | 76.7 | Confident | 77.7 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 177.5 | -73.1 | 168.5 | 0 | 0 | 0 | 111.9 | K352 L1007 K1008 A1014 E1015 | K352-L1011 HydrophobicContact CD-CD2 4.41Å; L1007-L1011 HydrophobicContact CG-CD1 4.2Å; L1007-L1011 WeakPolarHBondContact O-CG 3.26Å; L1007-L1011 PolarHBondContact O-N 2.81Å; K1008-L1011 PolarHBondContact O-N 3.45Å; L1011-A1014 PolarHBondContact O-N 3.38Å; L1011-E1015 PolarHBondContact O-N 3.25Å |
| 1012 | E | 79.9 | Confident | 78.5 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 60% | 0.598 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 177 | -68 | 174.9 | -178.6 | 0 | 0 | 112.3 | K1008 T1009 I1010 G1016 | K1008-E1012 PolarHBondContact O-N 2.81Å; T1009-E1012 PolarHBondContact O-N 2.91Å; I1010-E1012 VanDerWaalsContact C-N 3.3Å; I1010-E1012 PolarHBondContact O-N 2.69Å; E1012-G1016 PolarHBondContact O-N 3.45Å |
| 1013 | T | 80 | Confident | 79.2 | Confident | 71 Ų | 71 | 82 Ų | 82 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | T1009 I1010 G1016 L1017 | T1009-T1013 PolarHBondContact O-N 3.33Å; I1010-T1013 PolarHBondContact O-N 3.26Å; I1010-T1013 PolarHBondContact O-OG1 3.47Å; T1013-G1016 PolarHBondContact O-N 3.47Å; T1013-L1017 PolarHBondContact O-N 3.16Å; T1013-L1017 VanDerWaalsContact O-N 3.15Å |
| 1014 | A | 79.1 | Confident | 79.9 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 26% | 0.256 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | T348 I1010 L1011 G1016 L1017 Q1018 | T348-A1014 HydrophobicContact CG2-CB 4.06Å; I1010-A1014 PolarHBondContact O-N 3.08Å; L1011-A1014 PolarHBondContact O-N 3.38Å; A1014-G1016 VanDerWaalsContact C-N 3.34Å; A1014-G1016 PolarHBondContact O-N 3.41Å; A1014-L1017 PolarHBondContact O-N 3.3Å; A1014-Q1018 PolarHBondContact O-N 3.02Å; A1014-Q1018 VanDerWaalsContact O-N 3.14Å |
| 1015 | E | 79.4 | Confident | 80.4 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 59% | 0.593 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.7 | -39.2 | 175.3 | -75.8 | -171.7 | 173.6 | 0 | 0 | 112.5 | L1011 K1019 | L1011-E1015 PolarHBondContact O-N 3.25Å; E1015-K1019 PolarHBondContact O-N 2.69Å |
| 1016 | G | 82.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 37% | 0.371 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1012 T1013 A1014 Q1018 K1019 N1020 | E1012-G1016 PolarHBondContact O-N 3.45Å; T1013-G1016 PolarHBondContact O-N 3.47Å; A1014-G1016 VanDerWaalsContact C-N 3.34Å; A1014-G1016 PolarHBondContact O-N 3.41Å; G1016-Q1018 VanDerWaalsContact C-N 3.35Å; G1016-Q1018 PolarHBondContact O-N 3.24Å; G1016-K1019 PolarHBondContact O-N 3.48Å; G1016-N1020 PolarHBondContact O-N 3.45Å |
| 1017 | L | 82.9 | Confident | 81.4 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 18% | 0.183 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 178.1 | -79.9 | 165.7 | 0 | 0 | 0 | 112.4 | N344 T348 T1013 A1014 K1019 N1020 L1021 | N344-L1017 HydrophobicContact CB-CD2 4.28Å; T348-L1017 HydrophobicContact CG2-CD1 4.48Å; T348-L1017 WeakPolarHBondContact OG1-CD1 3.48Å; T1013-L1017 PolarHBondContact O-N 3.16Å; T1013-L1017 VanDerWaalsContact O-N 3.15Å; A1014-L1017 PolarHBondContact O-N 3.3Å; L1017-K1019 VanDerWaalsContact C-N 3.34Å; L1017-K1019 PolarHBondContact O-N 3.09Å; L1017-N1020 PolarHBondContact O-N 3.4Å; L1017-L1021 PolarHBondContact O-N 3.29Å; L1017-L1021 VanDerWaalsContact O-N 3.11Å |
| 1018 | Q | 80 | Confident | 81.7 | Confident | 129 Ų | 129 | 75.6 Ų | 75.6 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 179.9 | -171.8 | 172.7 | -1.6 | 0 | 0 | 112.7 | A1014 G1016 S1022 | A1014-Q1018 PolarHBondContact O-N 3.02Å; A1014-Q1018 VanDerWaalsContact O-N 3.14Å; G1016-Q1018 VanDerWaalsContact C-N 3.35Å; G1016-Q1018 PolarHBondContact O-N 3.24Å; Q1018-S1022 PolarHBondContact O-N 3.38Å |
| 1019 | K | 82.3 | Confident | 82 | Confident | 154 Ų | 154 | 72.8 Ų | 72.8 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.8 | -36.6 | 176 | -74.3 | 178.2 | -178.9 | 170.5 | 0 | 113.2 | E1015 G1016 L1017 S1022 L1023 | E1015-K1019 PolarHBondContact O-N 2.69Å; G1016-K1019 PolarHBondContact O-N 3.48Å; L1017-K1019 VanDerWaalsContact C-N 3.34Å; L1017-K1019 PolarHBondContact O-N 3.09Å; K1019-S1022 PolarHBondContact O-OG 3.17Å; K1019-L1023 PolarHBondContact O-N 3.41Å |
| 1020 | N | 83 | Confident | 82.2 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.9 | -38.5 | 178.5 | -72.4 | -16.2 | 0 | 0 | 0 | 112 | G1016 L1017 S1022 L1023 V1024 | G1016-N1020 PolarHBondContact O-N 3.45Å; L1017-N1020 PolarHBondContact O-N 3.4Å; N1020-S1022 VanDerWaalsContact C-N 3.33Å; N1020-S1022 PolarHBondContact O-N 3.41Å; N1020-L1023 PolarHBondContact O-N 3.12Å; N1020-V1024 PolarHBondContact O-N 3.49Å |
| 1021 | L | 84.3 | Confident | 82.4 | Confident | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.4 | -37 | -179.7 | -151.2 | 152.9 | 0 | 0 | 0 | 111.4 | L338 E342 Q345 L1017 K1025 | L338-L1021 HydrophobicContact CD2-CD2 4.37Å; E342-L1021 HydrophobicContact CG-CD1 4.15Å; Q345-L1021 HydrophobicContact CB-CD1 4.15Å; L1017-L1021 PolarHBondContact O-N 3.29Å; L1017-L1021 VanDerWaalsContact O-N 3.11Å; L1021-K1025 WeakPolarHBondContact O-CB 3.41Å; L1021-K1025 PolarHBondContact O-N 3.32Å; L1021-K1025 VanDerWaalsContact O-N 3.17Å |
| 1022 | S | 82.2 | Confident | 82.6 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 175.5 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | Q1018 K1019 N1020 S1026 | Q1018-S1022 PolarHBondContact O-N 3.38Å; K1019-S1022 PolarHBondContact O-OG 3.17Å; N1020-S1022 VanDerWaalsContact C-N 3.33Å; N1020-S1022 PolarHBondContact O-N 3.41Å; S1022-S1026 PolarHBondContact O-N 3.38Å |
| 1023 | L | 86.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 70.5 Ų | 70.5 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.3 | -53.7 | 178.8 | -177.9 | 67.8 | 0 | 0 | 0 | 112.2 | K1019 N1020 K1025 S1026 E1027 | K1019-L1023 PolarHBondContact O-N 3.41Å; N1020-L1023 PolarHBondContact O-N 3.12Å; L1023-K1025 VanDerWaalsContact C-N 3.26Å; L1023-K1025 PolarHBondContact O-N 3.27Å; L1023-S1026 WeakPolarHBondContact O-CB 3.34Å; L1023-S1026 PolarHBondContact O-N 3.22Å; L1023-E1027 PolarHBondContact O-N 3.35Å |
| 1024 | V | 85 | Confident | 82.8 | Confident | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.067 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.7 | -33.2 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | K334 E337 L338 L341 N1020 E1027 A1028 | K334-V1024 HydrophobicContact CD-CG1 4.45Å; E337-V1024 HydrophobicContact CB-CG1 4.3Å; E337-V1024 HydrophobicContact CG-CG1 4.17Å; L338-V1024 HydrophobicContact CD1-CG1 4.49Å; L338-V1024 HydrophobicContact CG-CG1 4.03Å; L341-V1024 HydrophobicContact CD1-CB 4.37Å; L341-V1024 HydrophobicContact CD1-CG2 3.89Å; N1020-V1024 PolarHBondContact O-N 3.49Å; V1024-E1027 PolarHBondContact O-N 3.24Å; V1024-A1028 WeakPolarHBondContact O-CB 3.2Å; V1024-A1028 PolarHBondContact O-N 3.46Å |
| 1025 | K | 83.8 | Confident | 83 | Confident | 107 Ų | 107 | 69.9 Ų | 69.9 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 174.5 | -167.8 | 170.4 | -176.9 | 173.9 | 0 | 112.1 | L338 L1021 L1023 E1027 A1028 D1029 | L338-K1025 HydrophobicContact CD2-CB 4.33Å; L1021-K1025 WeakPolarHBondContact O-CB 3.41Å; L1021-K1025 PolarHBondContact O-N 3.32Å; L1021-K1025 VanDerWaalsContact O-N 3.17Å; L1023-K1025 VanDerWaalsContact C-N 3.26Å; L1023-K1025 PolarHBondContact O-N 3.27Å; K1025-E1027 VanDerWaalsContact C-N 3.33Å; K1025-E1027 PolarHBondContact O-N 3.41Å; K1025-A1028 PolarHBondContact O-N 3.37Å; K1025-D1029 WeakPolarHBondContact O-CB 3.19Å; K1025-D1029 PolarHBondContact O-N 3Å |
| 1026 | S | 83.7 | Confident | 83 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56 | -43.8 | 173.6 | 169.4 | 0 | 0 | 0 | 0 | 112.7 | S1022 L1023 D1029 T1030 | S1022-S1026 PolarHBondContact O-N 3.38Å; L1023-S1026 WeakPolarHBondContact O-CB 3.34Å; L1023-S1026 PolarHBondContact O-N 3.22Å; S1026-D1029 PolarHBondContact O-N 3.16Å; S1026-T1030 PolarHBondContact O-N 3.4Å; S1026-T1030 PolarHBondContact O-OG1 3.32Å |
| 1027 | E | 85.8 | Confident | 83 | Confident | 78 Ų | 78 | 72 Ų | 72 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.4 | -65.7 | -179.8 | 164.7 | 0 | 0 | 112.6 | K334 L1023 V1024 K1025 T1030 C1031 | K334-E1027 VanDerWaalsContact CE-OE2 3.23Å; K334-E1027 WeakPolarHBondContact CE-OE2 3.32Å; K334-E1027 IonicContact NZ-OE2 2.82Å; K334-E1027 PolarHBondContact NZ-OE2 3.5Å; L1023-E1027 PolarHBondContact O-N 3.35Å; V1024-E1027 PolarHBondContact O-N 3.24Å; K1025-E1027 VanDerWaalsContact C-N 3.33Å; K1025-E1027 PolarHBondContact O-N 3.41Å; E1027-T1030 PolarHBondContact O-N 2.9Å; E1027-C1031 WeakPolarHBondContact O-CB 3.48Å; E1027-C1031 PolarHBondContact O-N 3.31Å |
| 1028 | A | 83.7 | Confident | 83 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K334 L338 V1024 K1025 C1031 S1032 | K334-A1028 HydrophobicContact CB-CB 4.45Å; L338-A1028 HydrophobicContact CD1-CB 3.6Å; V1024-A1028 WeakPolarHBondContact O-CB 3.2Å; V1024-A1028 PolarHBondContact O-N 3.46Å; K1025-A1028 PolarHBondContact O-N 3.37Å; A1028-C1031 PolarHBondContact O-N 3.35Å; A1028-S1032 VanDerWaalsContact O-CB 3.31Å; A1028-S1032 WeakPolarHBondContact O-CB 3.4Å; A1028-S1032 PolarHBondContact O-N 3.43Å |
| 1029 | D | 82.4 | Confident | 82.9 | Confident | 86 Ų | 86 | 70 Ų | 70 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 175.3 | -68.3 | -23.4 | 0 | 0 | 0 | 110.2 | K1025 S1026 C1031 S1032 E1033 | K1025-D1029 WeakPolarHBondContact O-CB 3.19Å; K1025-D1029 PolarHBondContact O-N 3Å; S1026-D1029 PolarHBondContact O-N 3.16Å; D1029-C1031 VanDerWaalsContact C-N 3.3Å; D1029-C1031 PolarHBondContact O-N 3.04Å; D1029-S1032 CarbonylContact O-C 3.57Å; D1029-S1032 WeakPolarHBondContact O-CA 3.47Å; D1029-S1032 WeakPolarHBondContact O-CB 3.44Å; D1029-S1032 PolarHBondContact O-N 3.45Å; D1029-S1032 VanDerWaalsContact O-N 3.11Å; D1029-E1033 WeakPolarHBondContact O-CG 3.5Å; D1029-E1033 PolarHBondContact O-N 3.34Å |
| 1030 | T | 84 | Confident | 82.6 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 176.8 | -46.6 | 0 | 0 | 0 | 0 | 112.4 | S1026 E1027 N1034 | S1026-T1030 PolarHBondContact O-N 3.4Å; S1026-T1030 PolarHBondContact O-OG1 3.32Å; E1027-T1030 PolarHBondContact O-N 2.9Å; T1030-N1034 PolarHBondContact O-N 2.86Å; T1030-N1034 PolarHBondContact O-ND2 2.91Å; T1030-N1034 VanDerWaalsContact O-ND2 3.07Å |
| 1031 | C | 83.8 | Confident | 82.4 | Confident | 20 Ų | 20 | 66.8 Ų | 66.8 | 14% | 0.135 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72 | -37.4 | 177.9 | -152.4 | 0 | 0 | 0 | 0 | 111.5 | L331 E1027 A1028 D1029 N1034 I1035 | L331-C1031 HydrophobicContact CD1-CB 4.28Å; E1027-C1031 WeakPolarHBondContact O-CB 3.48Å; E1027-C1031 PolarHBondContact O-N 3.31Å; A1028-C1031 PolarHBondContact O-N 3.35Å; D1029-C1031 VanDerWaalsContact C-N 3.3Å; D1029-C1031 PolarHBondContact O-N 3.04Å; C1031-N1034 PolarHBondContact O-N 3.46Å; C1031-I1035 WeakPolarHBondContact O-CG1 3.37Å; C1031-I1035 PolarHBondContact O-N 3.46Å |
| 1032 | S | 80.8 | Confident | 82.1 | Confident | 40 Ų | 40 | 66.6 Ų | 66.6 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 172.5 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | A1028 D1029 N1034 I1035 E1036 | A1028-S1032 VanDerWaalsContact O-CB 3.31Å; A1028-S1032 WeakPolarHBondContact O-CB 3.4Å; A1028-S1032 PolarHBondContact O-N 3.43Å; D1029-S1032 CarbonylContact O-C 3.57Å; D1029-S1032 WeakPolarHBondContact O-CA 3.47Å; D1029-S1032 WeakPolarHBondContact O-CB 3.44Å; D1029-S1032 PolarHBondContact O-N 3.45Å; D1029-S1032 VanDerWaalsContact O-N 3.11Å; S1032-N1034 PolarHBondContact O-N 2.92Å; S1032-I1035 PolarHBondContact O-N 3.5Å; S1032-E1036 WeakPolarHBondContact O-CG 3.45Å; S1032-E1036 PolarHBondContact O-N 2.95Å |
| 1033 | E | 82.9 | Confident | 81.5 | Confident | 129 Ų | 129 | 67.7 Ų | 67.7 | 60% | 0.603 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.2 | -43.3 | 174.5 | -73.8 | 174.5 | 179.8 | 0 | 0 | 112.1 | D1029 E1036 L1037 | D1029-E1033 WeakPolarHBondContact O-CG 3.5Å; D1029-E1033 PolarHBondContact O-N 3.34Å; E1033-E1036 WeakPolarHBondContact O-CB 3.49Å; E1033-E1036 PolarHBondContact O-N 3.26Å; E1033-L1037 PolarHBondContact O-N 3.46Å |
| 1034 | N | 82.2 | Confident | 80.8 | Confident | 82 Ų | 82 | 68 Ų | 68 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 176.6 | -77.3 | -47.8 | 0 | 0 | 0 | 112.8 | T1030 C1031 S1032 E1036 L1037 L1038 | T1030-N1034 PolarHBondContact O-N 2.86Å; T1030-N1034 PolarHBondContact O-ND2 2.91Å; T1030-N1034 VanDerWaalsContact O-ND2 3.07Å; C1031-N1034 PolarHBondContact O-N 3.46Å; S1032-N1034 PolarHBondContact O-N 2.92Å; N1034-E1036 VanDerWaalsContact C-N 3.34Å; N1034-L1037 WeakPolarHBondContact O-CB 3.35Å; N1034-L1037 PolarHBondContact O-N 3.47Å; N1034-L1038 PolarHBondContact O-N 2.91Å |
| 1035 | I | 83.1 | Confident | 80.1 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 173.9 | -73.5 | 162.5 | 0 | 0 | 0 | 110.1 | L324 E328 L331 C1031 S1032 L1037 L1038 K1039 | L324-I1035 HydrophobicContact CD1-CG2 4.24Å; E328-I1035 HydrophobicContact CG-CD1 4.27Å; E328-I1035 HydrophobicContact CG-CG1 4.39Å; E328-I1035 HydrophobicContact CG-CG2 4.3Å; L331-I1035 HydrophobicContact CB-CD1 3.48Å; L331-I1035 VanDerWaalsContact CB-CD1 3.48Å; L331-I1035 HydrophobicContact CD2-CD1 3.49Å; L331-I1035 VanDerWaalsContact CD2-CD1 3.49Å; L331-I1035 HydrophobicContact CG-CD1 4.07Å; C1031-I1035 WeakPolarHBondContact O-CG1 3.37Å; C1031-I1035 PolarHBondContact O-N 3.46Å; S1032-I1035 PolarHBondContact O-N 3.5Å; I1035-L1037 VanDerWaalsContact C-N 3.3Å; I1035-L1037 PolarHBondContact O-N 3.48Å; I1035-L1038 PolarHBondContact O-N 3.09Å; I1035-K1039 HydrophobicContact CG2-CD 3.77Å; I1035-K1039 HydrophobicContact CG2-CG 4.19Å; I1035-K1039 WeakPolarHBondContact O-CB 3.37Å; I1035-K1039 WeakPolarHBondContact O-CG 3.43Å; I1035-K1039 PolarHBondContact O-N 2.95Å |
| 1036 | E | 78.3 | Confident | 79.4 | Confident | 117 Ų | 117 | 69 Ų | 69 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 171.8 | -77.1 | -147.2 | 159.8 | 0 | 0 | 112 | S1032 E1033 N1034 K1040 | S1032-E1036 WeakPolarHBondContact O-CG 3.45Å; S1032-E1036 PolarHBondContact O-N 2.95Å; E1033-E1036 WeakPolarHBondContact O-CB 3.49Å; E1033-E1036 PolarHBondContact O-N 3.26Å; N1034-E1036 VanDerWaalsContact C-N 3.34Å; E1036-K1040 WeakPolarHBondContact O-CB 3.47Å; E1036-K1040 VanDerWaalsContact O-CG 3.32Å; E1036-K1040 WeakPolarHBondContact O-CG 3.38Å; E1036-K1040 PolarHBondContact O-N 3.38Å |
| 1037 | L | 82.9 | Confident | 78.6 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.3 | -166.7 | 79.2 | 0 | 0 | 0 | 112.1 | E1033 N1034 I1035 K1040 Q1041 | E1033-L1037 PolarHBondContact O-N 3.46Å; N1034-L1037 WeakPolarHBondContact O-CB 3.35Å; N1034-L1037 PolarHBondContact O-N 3.47Å; I1035-L1037 VanDerWaalsContact C-N 3.3Å; I1035-L1037 PolarHBondContact O-N 3.48Å; L1037-K1040 WeakPolarHBondContact O-CB 3.36Å; L1037-K1040 PolarHBondContact O-N 3.17Å; L1037-Q1041 WeakPolarHBondContact O-CG 3.44Å; L1037-Q1041 PolarHBondContact O-N 3.33Å |
| 1038 | L | 82.1 | Confident | 77.7 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.6 | -74.6 | 167.9 | 0 | 0 | 0 | 111.8 | L323 L324 S327 N1034 I1035 K1040 Q1041 V1042 | L323-L1038 HydrophobicContact CB-CD2 4.22Å; L324-L1038 HydrophobicContact CD1-CB 4.07Å; S327-L1038 WeakPolarHBondContact OG-CD1 3.37Å; N1034-L1038 PolarHBondContact O-N 2.91Å; I1035-L1038 PolarHBondContact O-N 3.09Å; L1038-K1040 VanDerWaalsContact C-N 3.31Å; L1038-K1040 PolarHBondContact O-N 3.46Å; L1038-Q1041 PolarHBondContact O-N 3.4Å; L1038-V1042 WeakPolarHBondContact O-CG2 3.44Å; L1038-V1042 PolarHBondContact O-N 2.93Å |
| 1039 | K | 79.2 | Confident | 76.9 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 171.5 | -77.5 | -179.8 | 178.6 | 175.7 | 0 | 110.7 | L324 E328 I1035 N1043 | L324-K1039 HydrophobicContact CD1-CD 4.49Å; L324-K1039 HydrophobicContact CD1-CG 3.66Å; L324-K1039 HydrophobicContact CD2-CG 4.16Å; E328-K1039 WeakPolarHBondContact OE1-CE 3.48Å; E328-K1039 IonicContact OE1-NZ 3.56Å; E328-K1039 PolarHBondContact OE1-NZ 3.36Å; I1035-K1039 HydrophobicContact CG2-CD 3.77Å; I1035-K1039 HydrophobicContact CG2-CG 4.19Å; I1035-K1039 WeakPolarHBondContact O-CB 3.37Å; I1035-K1039 WeakPolarHBondContact O-CG 3.43Å; I1035-K1039 PolarHBondContact O-N 2.95Å; K1039-N1043 WeakPolarHBondContact O-CB 3.42Å; K1039-N1043 PolarHBondContact O-N 3.27Å |
| 1040 | K | 76.3 | Confident | 76 | Confident | 123 Ų | 123 | 72.7 Ų | 72.7 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 171.8 | -82.3 | 174.5 | 178.1 | 172.4 | 0 | 111.7 | E1036 L1037 L1038 N1043 E1044 | E1036-K1040 WeakPolarHBondContact O-CB 3.47Å; E1036-K1040 VanDerWaalsContact O-CG 3.32Å; E1036-K1040 WeakPolarHBondContact O-CG 3.38Å; E1036-K1040 PolarHBondContact O-N 3.38Å; L1037-K1040 WeakPolarHBondContact O-CB 3.36Å; L1037-K1040 PolarHBondContact O-N 3.17Å; L1038-K1040 VanDerWaalsContact C-N 3.31Å; L1038-K1040 PolarHBondContact O-N 3.46Å; K1040-N1043 CarbonylContact O-C 3.59Å; K1040-N1043 WeakPolarHBondContact O-CB 3.32Å; K1040-N1043 PolarHBondContact O-N 3.41Å; K1040-E1044 WeakPolarHBondContact O-CG 3.25Å; K1040-E1044 PolarHBondContact O-N 3.17Å |
| 1041 | Q | 77.1 | Confident | 75.2 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | -179.1 | -70 | 177.2 | 2.9 | 0 | 0 | 114.2 | K320 L1037 L1038 N1043 E1044 H1045 | K320-Q1041 HydrophobicContact CD-CB 4.45Å; L1037-Q1041 WeakPolarHBondContact O-CG 3.44Å; L1037-Q1041 PolarHBondContact O-N 3.33Å; L1038-Q1041 PolarHBondContact O-N 3.4Å; Q1041-N1043 VanDerWaalsContact C-N 3.25Å; Q1041-N1043 PolarHBondContact O-N 3.34Å; Q1041-E1044 WeakPolarHBondContact O-CB 3.43Å; Q1041-E1044 PolarHBondContact O-N 2.88Å; Q1041-H1045 PolarHBondContact O-CD2 3.03Å; Q1041-H1045 PolarHBondContact O-N 3.07Å; Q1041-H1045 VanDerWaalsContact O-N 3.09Å |
| 1042 | V | 78.2 | Confident | 74.3 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | Y317 K320 I321 L324 L1038 K1046 | Y317-V1042 HydrophobicContact CE2-CG1 3.93Å; K320-V1042 HydrophobicContact CB-CG2 3.69Å; I321-V1042 HydrophobicContact CG1-CG1 4.19Å; L324-V1042 HydrophobicContact CD2-CG2 4.42Å; L1038-V1042 WeakPolarHBondContact O-CG2 3.44Å; L1038-V1042 PolarHBondContact O-N 2.93Å; V1042-K1046 WeakPolarHBondContact O-CB 3.35Å; V1042-K1046 PolarHBondContact O-N 3.15Å |
| 1043 | N | 69.1 | Low | 73.6 | Confident | 98 Ų | 98 | 69.2 Ų | 69.2 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.4 | -154.4 | 46.5 | 0 | 0 | 0 | 110.8 | K1039 K1040 Q1041 H1045 K1046 M1047 | K1039-N1043 WeakPolarHBondContact O-CB 3.42Å; K1039-N1043 PolarHBondContact O-N 3.27Å; K1040-N1043 CarbonylContact O-C 3.59Å; K1040-N1043 WeakPolarHBondContact O-CB 3.32Å; K1040-N1043 PolarHBondContact O-N 3.41Å; Q1041-N1043 VanDerWaalsContact C-N 3.25Å; Q1041-N1043 PolarHBondContact O-N 3.34Å; N1043-H1045 PolarHBondContact O-N 2.98Å; N1043-K1046 PolarHBondContact O-N 3.12Å; N1043-M1047 VanDerWaalsContact O-CB 3.25Å; N1043-M1047 WeakPolarHBondContact O-CB 3.43Å; N1043-M1047 WeakPolarHBondContact O-CG 3.3Å; N1043-M1047 PolarHBondContact O-N 2.89Å |
| 1044 | E | 72.1 | Confident | 72.7 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 175.4 | -76 | 165 | -178.4 | 0 | 0 | 113 | K1040 Q1041 M1047 R1048 | K1040-E1044 WeakPolarHBondContact O-CG 3.25Å; K1040-E1044 PolarHBondContact O-N 3.17Å; Q1041-E1044 WeakPolarHBondContact O-CB 3.43Å; Q1041-E1044 PolarHBondContact O-N 2.88Å; E1044-M1047 WeakPolarHBondContact O-CB 3.28Å; E1044-M1047 PolarHBondContact O-N 3.12Å; E1044-R1048 PolarHBondContact O-N 3.03Å |
| 1045 | H | 70.3 | Confident | 71.9 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 178.8 | -82.1 | -87.1 | 0 | 0 | 0 | 113.3 | Y317 Q1041 N1043 M1047 R1048 Q1049 | Y317-H1045 HydrophobicContact CD2-CB 4.5Å; Q1041-H1045 PolarHBondContact O-CD2 3.03Å; Q1041-H1045 PolarHBondContact O-N 3.07Å; Q1041-H1045 VanDerWaalsContact O-N 3.09Å; N1043-H1045 PolarHBondContact O-N 2.98Å; H1045-M1047 VanDerWaalsContact C-N 3.28Å; H1045-M1047 PolarHBondContact O-N 3.29Å; H1045-R1048 WeakPolarHBondContact O-CB 3.41Å; H1045-R1048 PolarHBondContact O-N 3.45Å; H1045-Q1049 PolarHBondContact O-N 3.5Å; H1045-Q1049 VanDerWaalsContact O-N 3.13Å |
| 1046 | K | 69.8 | Low | 71 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 174.2 | -167.6 | 174.4 | -177.1 | 169.9 | 0 | 111.6 | Y317 V1042 N1043 R1050 | Y317-K1046 HydrophobicContact CD2-CB 4.06Å; Y317-K1046 HydrophobicContact CE2-CB 3.64Å; Y317-K1046 HydrophobicContact CE2-CD 4.03Å; Y317-K1046 HydrophobicContact CE2-CG 3.93Å; V1042-K1046 WeakPolarHBondContact O-CB 3.35Å; V1042-K1046 PolarHBondContact O-N 3.15Å; N1043-K1046 PolarHBondContact O-N 3.12Å; K1046-R1050 VanDerWaalsContact O-CB 3.24Å; K1046-R1050 WeakPolarHBondContact O-CB 3.34Å; K1046-R1050 PolarHBondContact O-N 2.87Å |
| 1047 | M | 65.5 | Low | 70.3 | Confident | 54 Ų | 54 | 62 Ų | 62 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -57 | 169.2 | -69.6 | -70.7 | -69.3 | 0 | 0 | 107.7 | N1043 E1044 H1045 Q1049 R1050 E1051 | N1043-M1047 VanDerWaalsContact O-CB 3.25Å; N1043-M1047 WeakPolarHBondContact O-CB 3.43Å; N1043-M1047 WeakPolarHBondContact O-CG 3.3Å; N1043-M1047 PolarHBondContact O-N 2.89Å; E1044-M1047 WeakPolarHBondContact O-CB 3.28Å; E1044-M1047 PolarHBondContact O-N 3.12Å; H1045-M1047 VanDerWaalsContact C-N 3.28Å; H1045-M1047 PolarHBondContact O-N 3.29Å; M1047-Q1049 PolarHBondContact O-N 3.28Å; M1047-Q1049 VanDerWaalsContact O-N 3.1Å; M1047-R1050 CarbonylContact O-C 3.58Å; M1047-R1050 WeakPolarHBondContact O-CA 3.47Å; M1047-R1050 VanDerWaalsContact O-CB 3.28Å; M1047-R1050 WeakPolarHBondContact O-CB 3.05Å; M1047-R1050 PolarHBondContact O-N 2.87Å; M1047-E1051 VanDerWaalsContact C-OE1 3.26Å; M1047-E1051 WeakPolarHBondContact CB-OE1 3.29Å; M1047-E1051 WeakPolarHBondContact O-CG 3.31Å; M1047-E1051 PolarHBondContact O-N 3.31Å |
| 1048 | R | 66.9 | Low | 69.4 | Low | 78 Ų | 78 | 57.6 Ų | 57.6 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -46.4 | -45.7 | -178.6 | -161.7 | 69.5 | -180 | 159.9 | 1.9 | 116.7 | N297 E1044 H1045 E1051 L1052 | N297-R1048 PolarHBondContact ND2-NH1 2.75Å; E1044-R1048 PolarHBondContact O-N 3.03Å; H1045-R1048 WeakPolarHBondContact O-CB 3.41Å; H1045-R1048 PolarHBondContact O-N 3.45Å; R1048-E1051 VanDerWaalsContact CA-CD 3.44Å; R1048-E1051 WeakPolarHBondContact CA-OE1 3.22Å; R1048-E1051 WeakPolarHBondContact CD-OE2 3.38Å; R1048-E1051 IonicContact CZ-OE2 2.78Å; R1048-E1051 PolarHBondContact N-OE1 3.49Å; R1048-E1051 VanDerWaalsContact N-OE1 3.15Å; R1048-E1051 IonicContact NH1-OE2 3.05Å; R1048-E1051 PolarHBondContact NH1-OE2 2.86Å; R1048-E1051 WeakPolarHBondContact O-CB 3.28Å; R1048-E1051 PolarHBondContact O-N 3.04Å; R1048-L1052 PolarHBondContact O-N 2.93Å |
| 1049 | Q | 68 | Low | 68.6 | Low | 55 Ų | 55 | 62 Ų | 62 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 177.7 | -174.6 | -167.2 | 12.7 | 0 | 0 | 111.4 | A313 E314 H1045 M1047 E1051 L1052 | A313-Q1049 HydrophobicContact CB-CB 4.39Å; E314-Q1049 HydrophobicContact CG-CG 4.31Å; E314-Q1049 PolarHBondContact OE1-NE2 3.47Å; H1045-Q1049 PolarHBondContact O-N 3.5Å; H1045-Q1049 VanDerWaalsContact O-N 3.13Å; M1047-Q1049 PolarHBondContact O-N 3.28Å; M1047-Q1049 VanDerWaalsContact O-N 3.1Å; Q1049-E1051 PolarHBondContact O-N 2.99Å; Q1049-L1052 PolarHBondContact O-N 3.33Å |
| 1050 | R | 64.4 | Low | 67.7 | Low | 128 Ų | 128 | 64.2 Ų | 64.2 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 178.3 | -138.3 | -176 | -170.1 | 158.6 | 3.5 | 109.2 | N294 K1046 M1047 L1052 A1053 D1054 | N294-R1050 VanDerWaalsContact CB-C 3.41Å; N294-R1050 HydrophobicContact CB-CB 3.5Å; N294-R1050 HydrophobicContact CB-CG 3.4Å; N294-R1050 VanDerWaalsContact CB-O 3.27Å; N294-R1050 WeakPolarHBondContact CB-O 3.39Å; N294-R1050 VanDerWaalsContact CG-CD 3.42Å; N294-R1050 WeakPolarHBondContact ND2-CG 3.16Å; N294-R1050 CarbonylContact O-C 3.57Å; N294-R1050 VanDerWaalsContact O-C 3.26Å; N294-R1050 WeakPolarHBondContact OD1-CD 3.46Å; K1046-R1050 VanDerWaalsContact O-CB 3.24Å; K1046-R1050 WeakPolarHBondContact O-CB 3.34Å; K1046-R1050 PolarHBondContact O-N 2.87Å; M1047-R1050 CarbonylContact O-C 3.58Å; M1047-R1050 WeakPolarHBondContact O-CA 3.47Å; M1047-R1050 VanDerWaalsContact O-CB 3.28Å; M1047-R1050 WeakPolarHBondContact O-CB 3.05Å; M1047-R1050 PolarHBondContact O-N 2.87Å; R1050-L1052 PolarHBondContact O-N 3.49Å; R1050-A1053 PolarHBondContact O-N 3.33Å; R1050-D1054 WeakPolarHBondContact O-CB 3.27Å; R1050-D1054 PolarHBondContact O-N 2.72Å |
| 1051 | E | 65.5 | Low | 67.1 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 177.5 | -64 | 166.8 | -152.3 | 0 | 0 | 116.1 | N294 I295 Q296 M1047 R1048 Q1049 C1055 | N294-E1051 WeakPolarHBondContact O-CA 3.32Å; N294-E1051 WeakPolarHBondContact O-CB 3.41Å; N294-E1051 WeakPolarHBondContact O-CG 3.44Å; N294-E1051 PolarHBondContact O-N 3.45Å; I295-E1051 VanDerWaalsContact CA-CA 3.44Å; I295-E1051 VanDerWaalsContact CA-CB 3.43Å; I295-E1051 VanDerWaalsContact CA-CG 3.45Å; I295-E1051 HydrophobicContact CB-CB 4.47Å; I295-E1051 WeakPolarHBondContact CG1-O 3.28Å; I295-E1051 HydrophobicContact CG2-CB 4.4Å; Q296-E1051 WeakPolarHBondContact CA-OE2 3.49Å; Q296-E1051 HydrophobicContact CB-CG 4.05Å; Q296-E1051 VanDerWaalsContact CB-OE1 3.32Å; Q296-E1051 WeakPolarHBondContact CB-OE1 3.48Å; Q296-E1051 WeakPolarHBondContact CB-OE2 3.37Å; Q296-E1051 VanDerWaalsContact CD-CD 3.5Å; Q296-E1051 HydrophobicContact CG-CG 3.96Å; Q296-E1051 WeakPolarHBondContact CG-OE1 3.28Å; Q296-E1051 PolarHBondContact N-OE2 3.46Å; Q296-E1051 PolarHBondContact NE2-OE1 2.73Å; Q296-E1051 VanDerWaalsContact NE2-OE1 3.16Å; Q296-E1051 PolarHBondContact OE1-OE1 2.92Å; M1047-E1051 VanDerWaalsContact C-OE1 3.26Å; M1047-E1051 WeakPolarHBondContact CB-OE1 3.29Å; M1047-E1051 WeakPolarHBondContact O-CG 3.31Å; M1047-E1051 PolarHBondContact O-N 3.31Å; R1048-E1051 VanDerWaalsContact CA-CD 3.44Å; R1048-E1051 WeakPolarHBondContact CA-OE1 3.22Å; R1048-E1051 WeakPolarHBondContact CD-OE2 3.38Å; R1048-E1051 IonicContact CZ-OE2 2.78Å; R1048-E1051 PolarHBondContact N-OE1 3.49Å; R1048-E1051 VanDerWaalsContact N-OE1 3.15Å; R1048-E1051 IonicContact NH1-OE2 3.05Å; R1048-E1051 PolarHBondContact NH1-OE2 2.86Å; R1048-E1051 WeakPolarHBondContact O-CB 3.28Å; R1048-E1051 PolarHBondContact O-N 3.04Å; Q1049-E1051 PolarHBondContact O-N 2.99Å; E1051-C1055 WeakPolarHBondContact O-CB 3.44Å; E1051-C1055 PolarHBondContact O-N 3.28Å |
| 1052 | L | 64.6 | Low | 66.6 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -78.3 | -32.7 | -176.7 | -64.5 | 162.2 | 0 | 0 | 0 | 110.9 | L306 L309 I310 R1048 Q1049 R1050 C1055 | L306-L1052 HydrophobicContact CD1-CB 4.21Å; L306-L1052 HydrophobicContact CD1-CD2 3.64Å; L309-L1052 HydrophobicContact CB-CD1 3.9Å; L309-L1052 HydrophobicContact CB-CD2 4.22Å; L309-L1052 WeakPolarHBondContact O-CD1 3.31Å; I310-L1052 HydrophobicContact CD1-CB 4.18Å; I310-L1052 HydrophobicContact CG1-CB 3.57Å; I310-L1052 HydrophobicContact CG1-CD1 4.06Å; I310-L1052 HydrophobicContact CG1-CG 4.44Å; R1048-L1052 PolarHBondContact O-N 2.93Å; Q1049-L1052 PolarHBondContact O-N 3.33Å; R1050-L1052 PolarHBondContact O-N 3.49Å; L1052-C1055 WeakPolarHBondContact O-CB 3.32Å |
| 1053 | A | 66.5 | Low | 65.7 | Low | 51 Ų | 51 | 66.7 Ų | 66.7 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1050 C1055 | R1050-A1053 PolarHBondContact O-N 3.33Å; A1053-C1055 VanDerWaalsContact C-N 3.35Å |
| 1054 | D | 63.9 | Low | 65.3 | Low | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -36.3 | 177.1 | -96.5 | 44.6 | 0 | 0 | 0 | 111.4 | L291 N294 I295 R1050 V1056 Q1057 V1058 | L291-D1054 VanDerWaalsContact CA-OD2 3.3Å; L291-D1054 WeakPolarHBondContact CA-OD2 3.23Å; L291-D1054 CarbonylContact O-C 3.54Å; L291-D1054 WeakPolarHBondContact O-CA 3.36Å; L291-D1054 WeakPolarHBondContact O-CB 3.43Å; N294-D1054 WeakPolarHBondContact CA-OD2 3.49Å; N294-D1054 HydrophobicContact CB-CB 3.52Å; N294-D1054 WeakPolarHBondContact CB-OD1 3.36Å; N294-D1054 WeakPolarHBondContact CB-OD2 3.42Å; N294-D1054 PolarHBondContact N-OD2 3.46Å; N294-D1054 PolarHBondContact ND2-OD1 3.09Å; N294-D1054 PolarHBondContact ND2-OD2 3.07Å; I295-D1054 HydrophobicContact CD1-CB 4.44Å; I295-D1054 VanDerWaalsContact CG1-C 3.48Å; I295-D1054 HydrophobicContact CG1-CB 3.54Å; R1050-D1054 WeakPolarHBondContact O-CB 3.27Å; R1050-D1054 PolarHBondContact O-N 2.72Å; D1054-V1056 PolarHBondContact O-N 3.47Å; D1054-Q1057 PolarHBondContact O-N 2.93Å; D1054-V1058 WeakPolarHBondContact O-CB 3.36Å; D1054-V1058 WeakPolarHBondContact O-CG2 3.36Å |
| 1055 | C | 65.7 | Low | 64.7 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -44 | -34.8 | 175.7 | -102.8 | 0 | 0 | 0 | 0 | 116.1 | I295 L306 E1051 L1052 A1053 V1058 | I295-C1055 HydrophobicContact CD1-CB 4.14Å; I295-C1055 VanDerWaalsContact CD1-N 3.32Å; I295-C1055 HydrophobicContact CG1-CB 4.37Å; I295-C1055 HydrophobicContact CG2-CB 4.49Å; I295-C1055 WeakPolarHBondContact CG2-SG 3.49Å; L306-C1055 HydrophobicContact CD1-CB 4.43Å; E1051-C1055 WeakPolarHBondContact O-CB 3.44Å; E1051-C1055 PolarHBondContact O-N 3.28Å; L1052-C1055 WeakPolarHBondContact O-CB 3.32Å; A1053-C1055 VanDerWaalsContact C-N 3.35Å; C1055-V1058 WeakPolarHBondContact O-CG1 3.45Å |
| 1056 | V | 64.1 | Low | 64.3 | Low | 77 Ų | 77 | 65.1 Ų | 65.1 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76.5 | -35 | -172.2 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | L306 D1054 | L306-V1056 HydrophobicContact CD2-CG2 3.46Å; L306-V1056 VanDerWaalsContact CD2-CG2 3.46Å; D1054-V1056 PolarHBondContact O-N 3.47Å |
| 1057 | Q | 64.6 | Low | 64 | Low | 97 Ų | 97 | 68.8 Ų | 68.8 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -105.6 | -56.5 | -149.6 | -143.8 | 177.8 | -33.5 | 0 | 0 | 110.8 | L291 D1054 R1059 Q1060 L1061 | L291-Q1057 HydrophobicContact CB-CB 3.72Å; L291-Q1057 HydrophobicContact CB-CG 4.49Å; L291-Q1057 HydrophobicContact CD1-CB 3.25Å; L291-Q1057 HydrophobicContact CD1-CG 3.08Å; L291-Q1057 HydrophobicContact CD2-CB 3.39Å; L291-Q1057 HydrophobicContact CD2-CG 3.65Å; L291-Q1057 HydrophobicContact CG-CB 3.52Å; L291-Q1057 HydrophobicContact CG-CG 3.78Å; D1054-Q1057 PolarHBondContact O-N 2.93Å; Q1057-R1059 VanDerWaalsContact C-N 3.26Å; Q1057-R1059 PolarHBondContact O-N 3.4Å; Q1057-Q1060 WeakPolarHBondContact O-CB 3.44Å; Q1057-Q1060 PolarHBondContact O-N 2.93Å; Q1057-L1061 VanDerWaalsContact C-CD1 3.48Å; Q1057-L1061 HydrophobicContact CG-CD1 4.48Å; Q1057-L1061 WeakPolarHBondContact O-CB 3.28Å; Q1057-L1061 VanDerWaalsContact O-CD1 3.23Å; Q1057-L1061 WeakPolarHBondContact O-CD1 3.27Å |
| 1058 | V | 62.6 | Low | 63.8 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | 17.1 | -67.6 | 122.9 | 157.1 | 0 | 0 | 0 | 0 | 121.9 | L291 M292 I295 D1054 C1055 Q1060 L1061 R1062 | L291-V1058 HydrophobicContact CB-CG2 3.67Å; L291-V1058 VanDerWaalsContact CB-N 3.33Å; L291-V1058 WeakPolarHBondContact O-CG2 3.36Å; M292-V1058 HydrophobicContact CB-CB 4.27Å; M292-V1058 HydrophobicContact CB-CG2 3.32Å; M292-V1058 HydrophobicContact CE-CB 3.91Å; M292-V1058 HydrophobicContact CE-CG1 2.96Å; M292-V1058 HydrophobicContact CE-CG2 4.46Å; M292-V1058 HydrophobicContact CG-CB 3.58Å; M292-V1058 HydrophobicContact CG-CG1 3.4Å; M292-V1058 HydrophobicContact CG-CG2 3.06Å; M292-V1058 WeakPolarHBondContact SD-CA 3.43Å; M292-V1058 HydrophobicContact SD-CB 3.35Å; M292-V1058 WeakPolarHBondContact SD-CB 3.47Å; M292-V1058 HydrophobicContact SD-CG1 3.13Å; M292-V1058 WeakPolarHBondContact SD-CG1 3.38Å; M292-V1058 HydrophobicContact SD-CG2 3.49Å; M292-V1058 WeakPolarHBondContact SD-CG2 3.4Å; I295-V1058 HydrophobicContact CD1-CB 4.05Å; I295-V1058 HydrophobicContact CD1-CG1 3.35Å; I295-V1058 HydrophobicContact CD1-CG2 3.73Å; D1054-V1058 WeakPolarHBondContact O-CB 3.36Å; D1054-V1058 WeakPolarHBondContact O-CG2 3.36Å; C1055-V1058 WeakPolarHBondContact O-CG1 3.45Å; V1058-Q1060 PolarHBondContact O-N 2.99Å; V1058-L1061 PolarHBondContact O-N 2.94Å; V1058-R1062 PolarHBondContact O-N 2.91Å | |
| 1059 | R | 66.3 | Low | 63.4 | Low | 115 Ų | 115 | 64.4 Ų | 64.4 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -66 | -29.2 | -169.6 | -82.1 | -178.3 | 169.8 | 168.3 | 0.1 | 109.6 | E298 Y299 Q1057 L1061 | E298-R1059 IonicContact OE1-CZ 3.78Å; E298-R1059 IonicContact OE1-NE 2.97Å; E298-R1059 PolarHBondContact OE1-NE 3.04Å; E298-R1059 IonicContact OE1-NH2 3.68Å; Y299-R1059 PolarHBondContact O-NH2 3.21Å; Q1057-R1059 VanDerWaalsContact C-N 3.26Å; Q1057-R1059 PolarHBondContact O-N 3.4Å; R1059-L1061 VanDerWaalsContact C-N 3.25Å; R1059-L1061 PolarHBondContact O-N 2.59Å |
| 1060 | Q | 61.2 | Low | 63.1 | Low | 145 Ų | 145 | 68.8 Ų | 68.8 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -82.1 | -11.8 | 178.6 | -63.8 | 173 | -22.1 | 0 | 0 | 112.9 | Q1057 V1058 | Q1057-Q1060 WeakPolarHBondContact O-CB 3.44Å; Q1057-Q1060 PolarHBondContact O-N 2.93Å; V1058-Q1060 PolarHBondContact O-N 2.99Å |
| 1061 | L | 63.5 | Low | 63 | Low | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -48.5 | -150.4 | -94.3 | 169.8 | 0 | 0 | 0 | 108 | T287 I288 L291 Q1057 V1058 R1059 C1063 Q1064 L1065 | T287-L1061 HydrophobicContact CG2-CD1 4.2Å; T287-L1061 HydrophobicContact CG2-CD2 3.42Å; T287-L1061 VanDerWaalsContact CG2-CD2 3.42Å; T287-L1061 HydrophobicContact CG2-CG 4.46Å; T287-L1061 WeakPolarHBondContact O-CD1 3.12Å; T287-L1061 WeakPolarHBondContact O-CD2 3.3Å; I288-L1061 HydrophobicContact CB-CB 3.67Å; I288-L1061 HydrophobicContact CB-CD2 4.34Å; I288-L1061 HydrophobicContact CB-CG 4.43Å; I288-L1061 HydrophobicContact CD1-CB 4.32Å; I288-L1061 HydrophobicContact CD1-CD2 4.2Å; I288-L1061 WeakPolarHBondContact CD1-O 3.42Å; I288-L1061 VanDerWaalsContact CG1-CA 3.41Å; I288-L1061 HydrophobicContact CG1-CB 3.27Å; I288-L1061 HydrophobicContact CG1-CD2 3.3Å; I288-L1061 HydrophobicContact CG1-CG 3.76Å; I288-L1061 WeakPolarHBondContact CG1-O 3.11Å; I288-L1061 HydrophobicContact CG2-CB 3.74Å; L291-L1061 HydrophobicContact CD1-CD1 3.25Å; Q1057-L1061 VanDerWaalsContact C-CD1 3.48Å; Q1057-L1061 HydrophobicContact CG-CD1 4.48Å; Q1057-L1061 WeakPolarHBondContact O-CB 3.28Å; Q1057-L1061 VanDerWaalsContact O-CD1 3.23Å; Q1057-L1061 WeakPolarHBondContact O-CD1 3.27Å; V1058-L1061 PolarHBondContact O-N 2.94Å; R1059-L1061 VanDerWaalsContact C-N 3.25Å; R1059-L1061 PolarHBondContact O-N 2.59Å; L1061-C1063 PolarHBondContact O-N 2.95Å; L1061-Q1064 PolarHBondContact O-N 3.23Å; L1061-L1065 PolarHBondContact O-N 3.42Å |
| 1062 | R | 65.9 | Low | 62.9 | Low | 116 Ų | 116 | 70.2 Ų | 70.2 | 44% | 0.438 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51.6 | -24.3 | 173.5 | -111.7 | -167.2 | -134.9 | 152.1 | -7.4 | 114.5 | I288 M292 V1058 Q1064 | I288-R1062 HydrophobicContact CG2-CB 4.31Å; I288-R1062 HydrophobicContact CG2-CG 4.14Å; M292-R1062 HydrophobicContact CE-CB 3.83Å; M292-R1062 HydrophobicContact CE-CG 3.75Å; M292-R1062 HydrophobicContact CG-CG 4.3Å; M292-R1062 VanDerWaalsContact CG-NH2 3.29Å; M292-R1062 HydrophobicContact SD-CB 3.43Å; M292-R1062 WeakPolarHBondContact SD-CB 3.29Å; M292-R1062 WeakPolarHBondContact SD-CD 3.16Å; M292-R1062 HydrophobicContact SD-CG 3.09Å; M292-R1062 WeakPolarHBondContact SD-CG 3.29Å; M292-R1062 PolarHBondContact SD-NE 3.47Å; V1058-R1062 PolarHBondContact O-N 2.91Å; R1062-Q1064 PolarHBondContact O-N 3Å |
| 1063 | C | 59.5 | Low | 62.8 | Low | 111 Ų | 111 | 74.6 Ų | 74.6 | 75% | 0.75 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.6 | -29.5 | 178.3 | -144.9 | 0 | 0 | 0 | 0 | 113.8 | L1061 | L1061-C1063 PolarHBondContact O-N 2.95Å |
| 1064 | Q | 59.7 | Low | 62.6 | Low | 108 Ų | 108 | 75.2 Ų | 75.2 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -97.7 | -25.2 | -177 | -70 | 176.3 | -18.4 | 0 | 0 | 113.3 | L284 I288 L1061 R1062 | L284-Q1064 HydrophobicContact CD1-CB 3.88Å; L284-Q1064 HydrophobicContact CD2-CB 3.6Å; L284-Q1064 HydrophobicContact CD2-CG 4.31Å; L284-Q1064 HydrophobicContact CG-CB 4.21Å; I288-Q1064 HydrophobicContact CD1-CB 4.32Å; L1061-Q1064 PolarHBondContact O-N 3.23Å; R1062-Q1064 PolarHBondContact O-N 3Å |
| 1065 | L | 60.2 | Low | 62.5 | Low | 26 Ų | 26 | 76.4 Ų | 76.4 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 175 | -154.7 | 107.6 | 0 | 0 | 0 | 111.8 | T285 I288 L1061 F1067 L1068 T1069 | T285-L1065 HydrophobicContact CG2-CD1 3.7Å; T285-L1065 VanDerWaalsContact OG1-CD1 3.24Å; T285-L1065 WeakPolarHBondContact OG1-CD1 3.32Å; I288-L1065 HydrophobicContact CB-CD1 3.59Å; I288-L1065 HydrophobicContact CD1-CB 3.58Å; I288-L1065 HydrophobicContact CD1-CD1 3.6Å; I288-L1065 HydrophobicContact CD1-CG 4.22Å; I288-L1065 VanDerWaalsContact CD1-N 3.27Å; I288-L1065 HydrophobicContact CG1-CD1 4.07Å; I288-L1065 HydrophobicContact CG2-CB 4.36Å; I288-L1065 HydrophobicContact CG2-CD1 3.81Å; L1061-L1065 PolarHBondContact O-N 3.42Å; L1065-F1067 VanDerWaalsContact C-N 3.28Å; L1065-F1067 PolarHBondContact O-N 2.93Å; L1065-L1068 PolarHBondContact O-N 3.26Å; L1065-T1069 HydrophobicContact CD2-CG2 4.41Å; L1065-T1069 VanDerWaalsContact CD2-OG1 3.23Å; L1065-T1069 WeakPolarHBondContact CD2-OG1 3.36Å; L1065-T1069 VanDerWaalsContact CG-OG1 3.31Å; L1065-T1069 WeakPolarHBondContact CG-OG1 3.46Å; L1065-T1069 VanDerWaalsContact O-CB 3.26Å; L1065-T1069 WeakPolarHBondContact O-CB 3.23Å; L1065-T1069 PolarHBondContact O-N 2.93Å; L1065-T1069 PolarHBondContact O-OG1 2.85Å |
| 1066 | N | 62.1 | Low | 62.2 | Low | 93 Ų | 93 | 77.1 Ų | 77.1 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | -159 | -79.1 | -9.4 | 0 | 0 | 0 | 110.7 | L1068 T1069 E1070 | N1066-L1068 PolarHBondContact O-N 3.37Å; N1066-T1069 PolarHBondContact O-N 3.15Å; N1066-E1070 PolarHBondContact O-N 3.24Å |
| 1067 | F | 63.3 | Low | 62 | Low | 164 Ų | 164 | 80.1 Ų | 80.1 | 72% | 0.719 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 179.6 | -177.2 | -101.4 | 0 | 0 | 0 | 113.7 | L1065 | L1065-F1067 VanDerWaalsContact C-N 3.28Å; L1065-F1067 PolarHBondContact O-N 2.93Å |
| 1068 | L | 61.5 | Low | 61.7 | Low | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -82.4 | -30.7 | 179.2 | -68.7 | 164.8 | 0 | 0 | 0 | 111 | E280 R281 L284 L1065 N1066 E1070 R1071 T1072 | E280-L1068 HydrophobicContact CB-CD1 4.07Å; E280-L1068 HydrophobicContact CB-CD2 3.85Å; E280-L1068 WeakPolarHBondContact O-CD1 3.12Å; R281-L1068 HydrophobicContact CB-CB 4.46Å; R281-L1068 WeakPolarHBondContact CD-O 3.28Å; R281-L1068 VanDerWaalsContact CG-C 3.43Å; R281-L1068 HydrophobicContact CG-CB 3.33Å; R281-L1068 WeakPolarHBondContact CG-O 3.39Å; L284-L1068 HydrophobicContact CB-CD1 4.28Å; L284-L1068 HydrophobicContact CD1-CD1 3.32Å; L284-L1068 HydrophobicContact CG-CD1 4.29Å; L1065-L1068 PolarHBondContact O-N 3.26Å; N1066-L1068 PolarHBondContact O-N 3.37Å; L1068-E1070 PolarHBondContact O-N 3.12Å; L1068-R1071 PolarHBondContact O-N 3.37Å; L1068-T1072 PolarHBondContact O-N 2.92Å; L1068-T1072 PolarHBondContact O-OG1 3.44Å; L1068-T1072 VanDerWaalsContact O-OG1 3.14Å |
| 1069 | T | 59.2 | Low | 61.5 | Low | 20 Ų | 20 | 80.7 Ų | 80.7 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -53.8 | -48.9 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | R281 L1065 N1066 R1071 E1073 | R281-T1069 PolarHBondContact NH1-O 3.48Å; L1065-T1069 HydrophobicContact CD2-CG2 4.41Å; L1065-T1069 VanDerWaalsContact CD2-OG1 3.23Å; L1065-T1069 WeakPolarHBondContact CD2-OG1 3.36Å; L1065-T1069 VanDerWaalsContact CG-OG1 3.31Å; L1065-T1069 WeakPolarHBondContact CG-OG1 3.46Å; L1065-T1069 VanDerWaalsContact O-CB 3.26Å; L1065-T1069 WeakPolarHBondContact O-CB 3.23Å; L1065-T1069 PolarHBondContact O-N 2.93Å; L1065-T1069 PolarHBondContact O-OG1 2.85Å; N1066-T1069 PolarHBondContact O-N 3.15Å; T1069-R1071 VanDerWaalsContact C-N 3.32Å; T1069-R1071 PolarHBondContact O-N 3.31Å; T1069-E1073 HydrophobicContact CG2-CG 4.43Å; T1069-E1073 WeakPolarHBondContact CG2-OE1 3.41Å; T1069-E1073 VanDerWaalsContact O-CB 3.22Å; T1069-E1073 WeakPolarHBondContact O-CB 3.4Å; T1069-E1073 WeakPolarHBondContact O-CG 3.46Å; T1069-E1073 PolarHBondContact O-N 2.9Å |
| 1070 | E | 61.1 | Low | 60.9 | Low | 148 Ų | 148 | 82 Ų | 82 | 69% | 0.692 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 178.5 | -69.6 | -178.8 | 155.8 | 0 | 0 | 113.7 | N1066 L1068 S1074 | N1066-E1070 PolarHBondContact O-N 3.24Å; L1068-E1070 PolarHBondContact O-N 3.12Å; E1070-S1074 PolarHBondContact O-N 2.88Å; E1070-S1074 VanDerWaalsContact O-N 3.14Å |
| 1071 | R | 63 | Low | 60.6 | Low | 156 Ų | 156 | 81.2 Ų | 81.2 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.5 | -46.4 | -177.1 | -177.6 | 166.4 | 162.7 | 142.3 | -8.8 | 112.1 | L1068 T1069 E1073 S1074 L1075 | L1068-R1071 PolarHBondContact O-N 3.37Å; T1069-R1071 VanDerWaalsContact C-N 3.32Å; T1069-R1071 PolarHBondContact O-N 3.31Å; R1071-E1073 VanDerWaalsContact C-N 3.33Å; R1071-S1074 PolarHBondContact O-N 3.45Å; R1071-S1074 PolarHBondContact O-OG 3.45Å; R1071-L1075 PolarHBondContact O-N 3.1Å |
| 1072 | T | 62.6 | Low | 60.1 | Low | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.006 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.3 | -28.3 | 176.9 | -40.8 | 0 | 0 | 0 | 0 | 111.2 | C277 E278 R281 L1068 S1074 L1075 A1076 | C277-T1072 HydrophobicContact CB-CG2 4.08Å; C277-T1072 WeakPolarHBondContact CB-OG1 3.18Å; C277-T1072 PolarHBondContact O-OG1 3.29Å; C277-T1072 VanDerWaalsContact O-OG1 3.06Å; E278-T1072 HydrophobicContact CG-CG2 3.67Å; R281-T1072 VanDerWaalsContact CD-CB 3.46Å; R281-T1072 WeakPolarHBondContact CD-OG1 3.34Å; R281-T1072 WeakPolarHBondContact CG-OG1 3.38Å; R281-T1072 VanDerWaalsContact CZ-CB 3.45Å; R281-T1072 VanDerWaalsContact NE-CB 3.34Å; L1068-T1072 PolarHBondContact O-N 2.92Å; L1068-T1072 PolarHBondContact O-OG1 3.44Å; L1068-T1072 VanDerWaalsContact O-OG1 3.14Å; T1072-S1074 VanDerWaalsContact C-N 3.32Å; T1072-L1075 PolarHBondContact O-N 3.33Å; T1072-A1076 WeakPolarHBondContact O-CA 3.13Å; T1072-A1076 WeakPolarHBondContact O-CB 3.31Å; T1072-A1076 PolarHBondContact O-N 3.49Å |
| 1073 | E | 62 | Low | 59.2 | Low | 96 Ų | 96 | 79.8 Ų | 79.8 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.4 | -30.2 | 170 | -91.1 | 167.2 | -163.8 | 0 | 0 | 113 | T1069 R1071 K1077 | T1069-E1073 HydrophobicContact CG2-CG 4.43Å; T1069-E1073 WeakPolarHBondContact CG2-OE1 3.41Å; T1069-E1073 VanDerWaalsContact O-CB 3.22Å; T1069-E1073 WeakPolarHBondContact O-CB 3.4Å; T1069-E1073 WeakPolarHBondContact O-CG 3.46Å; T1069-E1073 PolarHBondContact O-N 2.9Å; R1071-E1073 VanDerWaalsContact C-N 3.33Å; E1073-K1077 WeakPolarHBondContact O-CB 3.4Å; E1073-K1077 VanDerWaalsContact O-CG 3.24Å; E1073-K1077 WeakPolarHBondContact O-CG 3.36Å; E1073-K1077 PolarHBondContact O-N 3.36Å |
| 1074 | S | 63.7 | Low | 58.7 | Low | 64 Ų | 64 | 80.6 Ų | 80.6 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 175.2 | 77.6 | 0 | 0 | 0 | 0 | 112.3 | E1070 R1071 T1072 N1078 | E1070-S1074 PolarHBondContact O-N 2.88Å; E1070-S1074 VanDerWaalsContact O-N 3.14Å; R1071-S1074 PolarHBondContact O-N 3.45Å; R1071-S1074 PolarHBondContact O-OG 3.45Å; T1072-S1074 VanDerWaalsContact C-N 3.32Å; S1074-N1078 PolarHBondContact O-N 3.41Å |
| 1075 | L | 61.7 | Low | 58.3 | Low | 32 Ų | 32 | 76.7 Ų | 76.7 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -78.5 | -41.2 | 178.4 | -66.4 | 165.4 | 0 | 0 | 0 | 111.3 | I274 C277 R1071 T1072 K1077 N1078 Q1079 | I274-L1075 HydrophobicContact CD1-CB 4.32Å; I274-L1075 WeakPolarHBondContact CD1-O 3.32Å; I274-L1075 HydrophobicContact CG1-CB 3.84Å; C277-L1075 HydrophobicContact CB-CD1 4.23Å; C277-L1075 WeakPolarHBondContact SG-CD1 3.42Å; R1071-L1075 PolarHBondContact O-N 3.1Å; T1072-L1075 PolarHBondContact O-N 3.33Å; L1075-K1077 VanDerWaalsContact C-N 3.26Å; L1075-K1077 PolarHBondContact O-N 3.24Å; L1075-N1078 CarbonylContact O-C 3.53Å; L1075-N1078 WeakPolarHBondContact O-CA 3.15Å; L1075-N1078 WeakPolarHBondContact O-CB 3.34Å; L1075-N1078 PolarHBondContact O-N 2.87Å; L1075-Q1079 PolarHBondContact O-N 3.18Å |
| 1076 | A | 59.6 | Low | 57.9 | Low | 17 Ų | 17 | 81.6 Ų | 81.6 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.9 | -24.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1072 Q1079 M1080 | T1072-A1076 WeakPolarHBondContact O-CA 3.13Å; T1072-A1076 WeakPolarHBondContact O-CB 3.31Å; T1072-A1076 PolarHBondContact O-N 3.49Å; A1076-Q1079 PolarHBondContact O-N 3.1Å; A1076-M1080 WeakPolarHBondContact O-CA 3.3Å; A1076-M1080 WeakPolarHBondContact O-CB 3.5Å; A1076-M1080 VanDerWaalsContact O-CG 3.26Å; A1076-M1080 WeakPolarHBondContact O-CG 3.45Å; A1076-M1080 PolarHBondContact O-N 3.34Å |
| 1077 | K | 58.7 | Low | 57.5 | Low | 139 Ų | 139 | 79.6 Ų | 79.6 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 165.1 | -91.9 | 173.5 | 175.4 | 170.6 | 0 | 111.6 | E1073 L1075 Q1079 M1080 I1081 | E1073-K1077 WeakPolarHBondContact O-CB 3.4Å; E1073-K1077 VanDerWaalsContact O-CG 3.24Å; E1073-K1077 WeakPolarHBondContact O-CG 3.36Å; E1073-K1077 PolarHBondContact O-N 3.36Å; L1075-K1077 VanDerWaalsContact C-N 3.26Å; L1075-K1077 PolarHBondContact O-N 3.24Å; K1077-Q1079 VanDerWaalsContact C-N 3.27Å; K1077-Q1079 PolarHBondContact O-N 3.37Å; K1077-M1080 PolarHBondContact O-N 2.94Å; K1077-I1081 WeakPolarHBondContact O-CB 3.28Å; K1077-I1081 VanDerWaalsContact O-CD1 3.3Å; K1077-I1081 WeakPolarHBondContact O-CD1 3.48Å; K1077-I1081 WeakPolarHBondContact O-CG1 3.5Å; K1077-I1081 PolarHBondContact O-N 2.95Å |
| 1078 | N | 57.7 | Low | 57.2 | Low | 89 Ų | 89 | 74.4 Ų | 74.4 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69 | -27.1 | 174.8 | -65 | -25.9 | 0 | 0 | 0 | 112.2 | L270 S1074 L1075 C1082 | L270-N1078 HydrophobicContact CD2-CB 3.82Å; S1074-N1078 PolarHBondContact O-N 3.41Å; L1075-N1078 CarbonylContact O-C 3.53Å; L1075-N1078 WeakPolarHBondContact O-CA 3.15Å; L1075-N1078 WeakPolarHBondContact O-CB 3.34Å; L1075-N1078 PolarHBondContact O-N 2.87Å; N1078-C1082 PolarHBondContact O-SG 3.36Å |
| 1079 | Q | 58.4 | Low | 56.9 | Low | 20 Ų | 20 | 76.3 Ų | 76.3 | 9% | 0.093 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -81.6 | -35 | 172.6 | -169.6 | -175.5 | 32.2 | 0 | 0 | 113.5 | L267 L270 I274 L1075 A1076 K1077 C1082 D1083 | L267-Q1079 HydrophobicContact CD2-CG 4.33Å; L270-Q1079 HydrophobicContact CB-CB 4.01Å; L270-Q1079 HydrophobicContact CB-CG 3.92Å; L270-Q1079 HydrophobicContact CD1-CB 4.5Å; L270-Q1079 HydrophobicContact CD2-CB 4.04Å; L270-Q1079 HydrophobicContact CG-CB 4.4Å; I274-Q1079 HydrophobicContact CD1-CB 3.14Å; I274-Q1079 HydrophobicContact CD1-CG 3.7Å; L1075-Q1079 PolarHBondContact O-N 3.18Å; A1076-Q1079 PolarHBondContact O-N 3.1Å; K1077-Q1079 VanDerWaalsContact C-N 3.27Å; K1077-Q1079 PolarHBondContact O-N 3.37Å; Q1079-C1082 CarbonylContact O-C 3.55Å; Q1079-C1082 WeakPolarHBondContact O-CA 3.48Å; Q1079-C1082 WeakPolarHBondContact O-CB 3.32Å; Q1079-C1082 PolarHBondContact O-N 2.91Å; Q1079-D1083 PolarHBondContact O-N 3.25Å; Q1079-D1083 VanDerWaalsContact O-N 3.11Å |
| 1080 | M | 54 | Low | 57 | Low | 142 Ų | 142 | 82.3 Ų | 82.3 | 70% | 0.7 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -75.3 | -29.2 | 175.3 | -79.5 | -174.8 | 88.7 | 0 | 0 | 112.5 | A1076 K1077 C1082 D1083 | A1076-M1080 WeakPolarHBondContact O-CA 3.3Å; A1076-M1080 WeakPolarHBondContact O-CB 3.5Å; A1076-M1080 VanDerWaalsContact O-CG 3.26Å; A1076-M1080 WeakPolarHBondContact O-CG 3.45Å; A1076-M1080 PolarHBondContact O-N 3.34Å; K1077-M1080 PolarHBondContact O-N 2.94Å; M1080-C1082 PolarHBondContact O-N 3.44Å; M1080-D1083 PolarHBondContact O-N 2.9Å |
| 1081 | I | 55.8 | Low | 57.2 | Low | 130 Ų | 130 | 79 Ų | 79 | 67% | 0.667 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.6 | 165.3 | -66.1 | 161.7 | 0 | 0 | 0 | 109.7 | K1077 | K1077-I1081 WeakPolarHBondContact O-CB 3.28Å; K1077-I1081 VanDerWaalsContact O-CD1 3.3Å; K1077-I1081 WeakPolarHBondContact O-CD1 3.48Å; K1077-I1081 WeakPolarHBondContact O-CG1 3.5Å; K1077-I1081 PolarHBondContact O-N 2.95Å |
| 1082 | C | 52.5 | Low | 57.3 | Low | 27 Ų | 27 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 34.5 | 171.9 | -56.3 | 0 | 0 | 0 | 0 | 113.5 | R263 L270 N1078 Q1079 M1080 | R263-C1082 VanDerWaalsContact CZ-CA 3.46Å; R263-C1082 PolarHBondContact NE-O 3.29Å; R263-C1082 PolarHBondContact NH1-O 3.19Å; R263-C1082 PolarHBondContact NH2-O 2.9Å; L270-C1082 HydrophobicContact CD1-CB 3.59Å; N1078-C1082 PolarHBondContact O-SG 3.36Å; Q1079-C1082 CarbonylContact O-C 3.55Å; Q1079-C1082 WeakPolarHBondContact O-CA 3.48Å; Q1079-C1082 WeakPolarHBondContact O-CB 3.32Å; Q1079-C1082 PolarHBondContact O-N 2.91Å; M1080-C1082 PolarHBondContact O-N 3.44Å |
| 1083 | D | 46.2 | Very low | 57.6 | Low | 73 Ų | 73 | 74 Ų | 74 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | trans | -129.2 | 100.6 | 166.8 | -90.6 | -28.7 | 0 | 0 | 0 | 112.7 | R263 Q1079 M1080 | R263-D1083 VanDerWaalsContact NH2-CA 3.34Å; Q1079-D1083 PolarHBondContact O-N 3.25Å; Q1079-D1083 VanDerWaalsContact O-N 3.11Å; M1080-D1083 PolarHBondContact O-N 2.9Å | ||
| 1084 | N | 48.9 | Very low | 58 | Low | 129 Ų | 129 | 73.8 Ų | 73.8 | 69% | 0.69 | 40% | 0.398 | S | S | * | . | trans | -132.5 | 28.6 | 178.4 | -100.8 | -22.6 | 0 | 0 | 0 | 110.6 | R259 | R259-N1084 PolarHBondContact NH2-O 2.81Š| ||
| 1085 | I | 52.6 | Low | 58.4 | Low | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -146.3 | 127.5 | 175.8 | -48.3 | 178.3 | 0 | 0 | 0 | 109.8 | R259 Y260 R263 L1087 | R259-I1085 HydrophobicContact CG-CD1 3.84Å; Y260-I1085 HydrophobicContact CD1-CD1 4.3Å; Y260-I1085 HydrophobicContact CE1-CD1 4.32Å; Y260-I1085 HydrophobicContact CE1-CG2 3.64Å; R263-I1085 HydrophobicContact CB-CD1 4.09Å; R263-I1085 HydrophobicContact CG-CD1 3.93Å; I1085-L1087 HydrophobicContact CG2-CD1 3.79Å; I1085-L1087 PolarHBondContact O-N 2.91Å; I1085-L1087 VanDerWaalsContact O-N 3.14Å |
| 1086 | P | 50.7 | Low | 59 | Low | 129 Ų | 129 | 72.1 Ų | 72.1 | 84% | 0.838 | 38% | 0.384 | S | S | * | . | trans | -85.8 | 67.9 | -175.9 | 34.5 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 1087 | L | 53.7 | Low | 59.9 | Low | 52 Ų | 52 | 77.6 Ų | 77.6 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | trans | -138.4 | 136.3 | 173.5 | -82.8 | 93.7 | 0 | 0 | 0 | 110.6 | Y260 I1085 D1091 L1092 E1095 | Y260-L1087 HydrophobicContact CE1-CD1 3.93Å; Y260-L1087 HydrophobicContact CE1-CD2 4.23Å; Y260-L1087 WeakPolarHBondContact OH-CD1 3.08Å; I1085-L1087 HydrophobicContact CG2-CD1 3.79Å; I1085-L1087 PolarHBondContact O-N 2.91Å; I1085-L1087 VanDerWaalsContact O-N 3.14Å; L1087-D1091 HydrophobicContact CB-CB 4.05Å; L1087-D1091 HydrophobicContact CD2-CB 4.04Å; L1087-D1091 HydrophobicContact CG-CB 4.33Å; L1087-L1092 HydrophobicContact CB-CD1 4.19Å; L1087-E1095 HydrophobicContact CD2-CB 3.64Å; L1087-E1095 HydrophobicContact CD2-CG 3.75Å | ||
| 1088 | S | 57.8 | Low | 61.1 | Low | 55 Ų | 55 | 76.1 Ų | 76.1 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | trans | -63 | 159.5 | 175.8 | 81.6 | 0 | 0 | 0 | 0 | 111.9 | Q1090 D1091 L1092 | S1088-Q1090 PolarHBondContact O-N 3.36Å; S1088-Q1090 VanDerWaalsContact O-N 3.15Å; S1088-D1091 WeakPolarHBondContact CB-OD2 3.45Å; S1088-D1091 PolarHBondContact N-OD2 2.96Å; S1088-D1091 CarbonylContact O-C 3.5Å; S1088-D1091 WeakPolarHBondContact O-CA 3.36Å; S1088-D1091 WeakPolarHBondContact O-CB 3.24Å; S1088-D1091 PolarHBondContact O-N 3.47Å; S1088-D1091 WeakPolarHBondContact OG-CB 3.35Å; S1088-D1091 PolarHBondContact OG-N 3.25Å; S1088-D1091 PolarHBondContact OG-OD2 2.93Å; S1088-L1092 WeakPolarHBondContact O-CB 3.41Å; S1088-L1092 PolarHBondContact O-N 3.48Å | ||
| 1089 | D | 55.7 | Low | 62.3 | Low | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -50.9 | -40.4 | 176.9 | -69.9 | -2.6 | 0 | 0 | 0 | 113.4 | Q271 I1093 | Q271-D1089 VanDerWaalsContact CD-CG 3.43Å; Q271-D1089 WeakPolarHBondContact CG-OD2 3.37Å; Q271-D1089 PolarHBondContact NE2-OD1 2.92Å; Q271-D1089 PolarHBondContact NE2-OD2 2.94Å; D1089-I1093 WeakPolarHBondContact O-CD1 3.42Å; D1089-I1093 VanDerWaalsContact O-CG1 3.26Å; D1089-I1093 WeakPolarHBondContact O-CG1 3.16Å; D1089-I1093 PolarHBondContact O-N 2.89Å; D1089-I1093 VanDerWaalsContact O-N 3.17Å |
| 1090 | Q | 60.9 | Low | 63.4 | Low | 146 Ų | 146 | 72.4 Ų | 72.4 | 68% | 0.682 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.1 | -35.8 | 174.7 | -87.8 | 171.6 | -25.7 | 0 | 0 | 112 | S1088 L1092 I1093 N1094 | S1088-Q1090 PolarHBondContact O-N 3.36Å; S1088-Q1090 VanDerWaalsContact O-N 3.15Å; Q1090-L1092 VanDerWaalsContact C-N 3.35Å; Q1090-I1093 PolarHBondContact O-N 3.45Å; Q1090-N1094 WeakPolarHBondContact O-CB 3.42Å; Q1090-N1094 PolarHBondContact O-N 2.83Å; Q1090-N1094 PolarHBondContact O-ND2 3.41Å; Q1090-N1094 VanDerWaalsContact O-ND2 3.16Å |
| 1091 | D | 65.6 | Low | 64.8 | Low | 79 Ų | 79 | 70.1 Ų | 70.1 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.2 | -33.6 | 174.3 | -60.2 | -40.9 | 0 | 0 | 0 | 111.4 | L1087 S1088 N1094 E1095 | L1087-D1091 HydrophobicContact CB-CB 4.05Å; L1087-D1091 HydrophobicContact CD2-CB 4.04Å; L1087-D1091 HydrophobicContact CG-CB 4.33Å; S1088-D1091 WeakPolarHBondContact CB-OD2 3.45Å; S1088-D1091 PolarHBondContact N-OD2 2.96Å; S1088-D1091 CarbonylContact O-C 3.5Å; S1088-D1091 WeakPolarHBondContact O-CA 3.36Å; S1088-D1091 WeakPolarHBondContact O-CB 3.24Å; S1088-D1091 PolarHBondContact O-N 3.47Å; S1088-D1091 WeakPolarHBondContact OG-CB 3.35Å; S1088-D1091 PolarHBondContact OG-N 3.25Å; S1088-D1091 PolarHBondContact OG-OD2 2.93Å; D1091-N1094 PolarHBondContact O-N 3.47Å; D1091-E1095 WeakPolarHBondContact O-CA 3.2Å; D1091-E1095 WeakPolarHBondContact O-CB 3.43Å; D1091-E1095 PolarHBondContact O-N 3.28Å |
| 1092 | L | 64.8 | Low | 66.2 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 175.9 | -151.6 | 104.8 | 0 | 0 | 0 | 110.3 | Y260 Y264 L267 L1087 S1088 Q1090 T1096 | Y260-L1092 HydrophobicContact CD1-CD1 3.55Å; Y260-L1092 HydrophobicContact CD1-CG 3.86Å; Y260-L1092 HydrophobicContact CE1-CD1 3.85Å; Y260-L1092 HydrophobicContact CE1-CG 4.47Å; Y264-L1092 HydrophobicContact CD2-CD2 3.75Å; Y264-L1092 HydrophobicContact CG-CD2 4.18Å; L267-L1092 HydrophobicContact CD1-CD1 4.28Å; L267-L1092 HydrophobicContact CD1-CD2 3.8Å; L1087-L1092 HydrophobicContact CB-CD1 4.19Å; S1088-L1092 WeakPolarHBondContact O-CB 3.41Å; S1088-L1092 PolarHBondContact O-N 3.48Å; Q1090-L1092 VanDerWaalsContact C-N 3.35Å; L1092-T1096 WeakPolarHBondContact O-CB 3.47Å; L1092-T1096 PolarHBondContact O-N 3.39Å; L1092-T1096 PolarHBondContact O-OG1 3.48Å |
| 1093 | I | 68.1 | Low | 67.8 | Low | 49 Ų | 49 | 68.4 Ų | 68.4 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 173.1 | -68.6 | 165 | 0 | 0 | 0 | 110.9 | Y264 D1089 Q1090 E1095 T1096 K1097 | Y264-I1093 HydrophobicContact CD2-CG1 4.15Å; Y264-I1093 HydrophobicContact CE2-CD1 3.84Å; Y264-I1093 HydrophobicContact CE2-CG1 3.31Å; D1089-I1093 WeakPolarHBondContact O-CD1 3.42Å; D1089-I1093 VanDerWaalsContact O-CG1 3.26Å; D1089-I1093 WeakPolarHBondContact O-CG1 3.16Å; D1089-I1093 PolarHBondContact O-N 2.89Å; D1089-I1093 VanDerWaalsContact O-N 3.17Å; Q1090-I1093 PolarHBondContact O-N 3.45Å; I1093-E1095 VanDerWaalsContact C-N 3.35Å; I1093-T1096 PolarHBondContact O-N 3.09Å; I1093-K1097 HydrophobicContact CG2-CD 4.14Å; I1093-K1097 WeakPolarHBondContact O-CB 3.45Å; I1093-K1097 VanDerWaalsContact O-CG 3.29Å; I1093-K1097 WeakPolarHBondContact O-CG 3.48Å; I1093-K1097 PolarHBondContact O-N 3.26Å |
| 1094 | N | 72 | Confident | 69.6 | Low | 92 Ų | 92 | 71.2 Ų | 71.2 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | -179.6 | -71.7 | -21.7 | 0 | 0 | 0 | 110.8 | Q1090 D1091 K1097 R1098 | Q1090-N1094 WeakPolarHBondContact O-CB 3.42Å; Q1090-N1094 PolarHBondContact O-N 2.83Å; Q1090-N1094 PolarHBondContact O-ND2 3.41Å; Q1090-N1094 VanDerWaalsContact O-ND2 3.16Å; D1091-N1094 PolarHBondContact O-N 3.47Å; N1094-K1097 PolarHBondContact O-N 3.38Å; N1094-R1098 WeakPolarHBondContact O-CA 3.45Å; N1094-R1098 WeakPolarHBondContact O-CB 3.27Å; N1094-R1098 PolarHBondContact O-N 3.31Å |
| 1095 | E | 70.3 | Confident | 71.4 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73 | -37 | 176.8 | -167.9 | 66.6 | -173.1 | 0 | 0 | 111 | Y260 L1087 D1091 I1093 R1098 L1099 | Y260-E1095 HydrophobicContact CE2-CG 4Å; L1087-E1095 HydrophobicContact CD2-CB 3.64Å; L1087-E1095 HydrophobicContact CD2-CG 3.75Å; D1091-E1095 WeakPolarHBondContact O-CA 3.2Å; D1091-E1095 WeakPolarHBondContact O-CB 3.43Å; D1091-E1095 PolarHBondContact O-N 3.28Å; I1093-E1095 VanDerWaalsContact C-N 3.35Å; E1095-R1098 VanDerWaalsContact CD-NE 3.3Å; E1095-R1098 PolarHBondContact O-N 3.35Å; E1095-R1098 IonicContact OE1-CZ 2.89Å; E1095-R1098 IonicContact OE1-NE 3.85Å; E1095-R1098 PolarHBondContact OE1-NE 3.26Å; E1095-R1098 IonicContact OE1-NH2 3.67Å; E1095-R1098 PolarHBondContact OE1-NH2 3.02Å; E1095-R1098 IonicContact OE2-CZ 3.27Å; E1095-R1098 IonicContact OE2-NE 3.66Å; E1095-R1098 PolarHBondContact OE2-NE 3.34Å; E1095-R1098 IonicContact OE2-NH2 2.81Å; E1095-L1099 HydrophobicContact CG-CD1 3.84Å; E1095-L1099 HydrophobicContact CG-CG 4.22Å; E1095-L1099 WeakPolarHBondContact O-CB 3.22Å; E1095-L1099 WeakPolarHBondContact O-CG 3.42Å; E1095-L1099 PolarHBondContact O-N 3.34Å |
| 1096 | T | 75.7 | Confident | 73.1 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 14% | 0.135 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 171 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | L257 K261 L1092 I1093 A1100 | L257-T1096 HydrophobicContact CD1-CG2 3.92Å; L257-T1096 WeakPolarHBondContact CD1-O 3.48Å; K261-T1096 HydrophobicContact CG-CG2 4.17Å; L1092-T1096 WeakPolarHBondContact O-CB 3.47Å; L1092-T1096 PolarHBondContact O-N 3.39Å; L1092-T1096 PolarHBondContact O-OG1 3.48Å; I1093-T1096 PolarHBondContact O-N 3.09Å; T1096-A1100 WeakPolarHBondContact O-CB 3.5Å; T1096-A1100 PolarHBondContact O-N 3.19Å |
| 1097 | K | 78.4 | Confident | 74.8 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 173.9 | -75.7 | 176.8 | -178.9 | 177.7 | 0 | 111.8 | I1093 N1094 A1100 L1101 | I1093-K1097 HydrophobicContact CG2-CD 4.14Å; I1093-K1097 WeakPolarHBondContact O-CB 3.45Å; I1093-K1097 VanDerWaalsContact O-CG 3.29Å; I1093-K1097 WeakPolarHBondContact O-CG 3.48Å; I1093-K1097 PolarHBondContact O-N 3.26Å; N1094-K1097 PolarHBondContact O-N 3.38Å; K1097-A1100 PolarHBondContact O-N 3.32Å; K1097-L1101 VanDerWaalsContact O-CB 3.31Å; K1097-L1101 WeakPolarHBondContact O-CB 3.37Å; K1097-L1101 VanDerWaalsContact O-CG 3.24Å; K1097-L1101 WeakPolarHBondContact O-CG 3.3Å; K1097-L1101 PolarHBondContact O-N 3.26Å |
| 1098 | R | 83.9 | Confident | 76.4 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 178.8 | -170.6 | -168.8 | 76.8 | 68.1 | 6.3 | 110.3 | N1094 E1095 A1100 L1101 E1102 | N1094-R1098 WeakPolarHBondContact O-CA 3.45Å; N1094-R1098 WeakPolarHBondContact O-CB 3.27Å; N1094-R1098 PolarHBondContact O-N 3.31Å; E1095-R1098 VanDerWaalsContact CD-NE 3.3Å; E1095-R1098 PolarHBondContact O-N 3.35Å; E1095-R1098 IonicContact OE1-CZ 2.89Å; E1095-R1098 IonicContact OE1-NE 3.85Å; E1095-R1098 PolarHBondContact OE1-NE 3.26Å; E1095-R1098 IonicContact OE1-NH2 3.67Å; E1095-R1098 PolarHBondContact OE1-NH2 3.02Å; E1095-R1098 IonicContact OE2-CZ 3.27Å; E1095-R1098 IonicContact OE2-NE 3.66Å; E1095-R1098 PolarHBondContact OE2-NE 3.34Å; E1095-R1098 IonicContact OE2-NH2 2.81Å; R1098-A1100 VanDerWaalsContact C-N 3.35Å; R1098-L1101 PolarHBondContact O-N 3.42Å; R1098-E1102 IonicContact CZ-OE2 3.3Å; R1098-E1102 IonicContact NH1-OE2 2.78Å; R1098-E1102 PolarHBondContact NH1-OE2 3.07Å; R1098-E1102 IonicContact NH2-OE2 3.68Å; R1098-E1102 WeakPolarHBondContact O-CB 3.41Å; R1098-E1102 PolarHBondContact O-N 3.14Å |
| 1099 | L | 82.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 176.5 | -70.1 | 170.6 | 0 | 0 | 0 | 111.9 | V253 K256 L257 Y260 E1095 E1102 E1103 | V253-L1099 HydrophobicContact CG1-CB 4.42Å; V253-L1099 HydrophobicContact CG1-CD2 3.98Å; V253-L1099 WeakPolarHBondContact CG1-O 3.26Å; V253-L1099 HydrophobicContact CG2-CD2 4.41Å; K256-L1099 HydrophobicContact CB-CD1 3.9Å; L257-L1099 HydrophobicContact CB-CB 4.27Å; L257-L1099 HydrophobicContact CD1-CB 3.72Å; Y260-L1099 HydrophobicContact CD2-CD1 3.32Å; Y260-L1099 HydrophobicContact CE2-CD1 3.44Å; Y260-L1099 VanDerWaalsContact CE2-CD1 3.44Å; Y260-L1099 HydrophobicContact CG-CD1 4.49Å; E1095-L1099 HydrophobicContact CG-CD1 3.84Å; E1095-L1099 HydrophobicContact CG-CG 4.22Å; E1095-L1099 WeakPolarHBondContact O-CB 3.22Å; E1095-L1099 WeakPolarHBondContact O-CG 3.42Å; E1095-L1099 PolarHBondContact O-N 3.34Å; L1099-E1102 PolarHBondContact O-N 3.49Å; L1099-E1103 WeakPolarHBondContact O-CA 3.46Å; L1099-E1103 WeakPolarHBondContact O-CB 3.34Å; L1099-E1103 PolarHBondContact O-N 3.45Å |
| 1100 | A | 81 | Confident | 79.3 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.2 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L257 T1096 K1097 R1098 E1102 E1103 E1104 | L257-A1100 HydrophobicContact CD1-CB 4.08Å; L257-A1100 HydrophobicContact CD2-CB 4.49Å; T1096-A1100 WeakPolarHBondContact O-CB 3.5Å; T1096-A1100 PolarHBondContact O-N 3.19Å; K1097-A1100 PolarHBondContact O-N 3.32Å; R1098-A1100 VanDerWaalsContact C-N 3.35Å; A1100-E1102 VanDerWaalsContact C-N 3.31Å; A1100-E1103 PolarHBondContact O-N 3.33Å; A1100-E1104 VanDerWaalsContact O-CB 3.28Å; A1100-E1104 WeakPolarHBondContact O-CB 3.18Å; A1100-E1104 PolarHBondContact O-N 3.31Å |
| 1101 | L | 84.6 | Confident | 80.5 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 171.6 | -75.2 | 166.9 | 0 | 0 | 0 | 111.4 | K1097 R1098 K1105 | K1097-L1101 VanDerWaalsContact O-CB 3.31Å; K1097-L1101 WeakPolarHBondContact O-CB 3.37Å; K1097-L1101 VanDerWaalsContact O-CG 3.24Å; K1097-L1101 WeakPolarHBondContact O-CG 3.3Å; K1097-L1101 PolarHBondContact O-N 3.26Å; R1098-L1101 PolarHBondContact O-N 3.42Å; L1101-K1105 VanDerWaalsContact O-CB 3.28Å; L1101-K1105 WeakPolarHBondContact O-CB 3.42Å; L1101-K1105 WeakPolarHBondContact O-CD 3.24Å; L1101-K1105 WeakPolarHBondContact O-CG 3.35Å; L1101-K1105 PolarHBondContact O-N 3.47Å |
| 1102 | E | 84.2 | Confident | 81.6 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70 | -41.1 | 175.8 | -172.4 | 172.4 | -168.3 | 0 | 0 | 111.2 | V253 R1098 L1099 A1100 K1105 L1106 | V253-E1102 HydrophobicContact CG1-CB 4.31Å; V253-E1102 HydrophobicContact CG1-CG 4.27Å; V253-E1102 HydrophobicContact CG2-CG 4.15Å; R1098-E1102 IonicContact CZ-OE2 3.3Å; R1098-E1102 IonicContact NH1-OE2 2.78Å; R1098-E1102 PolarHBondContact NH1-OE2 3.07Å; R1098-E1102 IonicContact NH2-OE2 3.68Å; R1098-E1102 WeakPolarHBondContact O-CB 3.41Å; R1098-E1102 PolarHBondContact O-N 3.14Å; L1099-E1102 PolarHBondContact O-N 3.49Å; A1100-E1102 VanDerWaalsContact C-N 3.31Å; E1102-K1105 PolarHBondContact O-N 3.36Å; E1102-L1106 HydrophobicContact CG-CD1 3.96Å; E1102-L1106 HydrophobicContact CG-CG 4.39Å; E1102-L1106 VanDerWaalsContact O-CB 3.25Å; E1102-L1106 WeakPolarHBondContact O-CB 3.5Å; E1102-L1106 VanDerWaalsContact O-CG 3.23Å; E1102-L1106 WeakPolarHBondContact O-CG 3.23Å; E1102-L1106 PolarHBondContact O-N 3.43Å |
| 1103 | E | 85.9 | Confident | 82.7 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 171.5 | -176.5 | -148.7 | -178.9 | 0 | 0 | 110.2 | L250 V253 V254 L257 L1099 A1100 K1105 L1106 H1107 | L250-E1103 HydrophobicContact CD1-CG 4.07Å; V253-E1103 HydrophobicContact CG1-CB 4.14Å; V254-E1103 HydrophobicContact CG2-CG 4.14Å; L257-E1103 HydrophobicContact CD2-CB 4.26Å; L257-E1103 HydrophobicContact CD2-CG 4.42Å; L257-E1103 WeakPolarHBondContact CD2-OE2 3.45Å; L1099-E1103 WeakPolarHBondContact O-CA 3.46Å; L1099-E1103 WeakPolarHBondContact O-CB 3.34Å; L1099-E1103 PolarHBondContact O-N 3.45Å; A1100-E1103 PolarHBondContact O-N 3.33Å; E1103-K1105 VanDerWaalsContact C-N 3.31Å; E1103-K1105 PolarHBondContact O-N 3.08Å; E1103-L1106 PolarHBondContact O-N 3.47Å; E1103-H1107 WeakPolarHBondContact O-CA 3.32Å; E1103-H1107 WeakPolarHBondContact O-CB 3.43Å; E1103-H1107 PolarHBondContact O-N 3.23Å |
| 1104 | E | 84.7 | Confident | 83.7 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 179.2 | -174.2 | 179 | -170.5 | 0 | 0 | 111.1 | A1100 S1108 | A1100-E1104 VanDerWaalsContact O-CB 3.28Å; A1100-E1104 WeakPolarHBondContact O-CB 3.18Å; A1100-E1104 PolarHBondContact O-N 3.31Å; E1104-S1108 VanDerWaalsContact O-CB 3.23Å; E1104-S1108 WeakPolarHBondContact O-CB 3.42Å; E1104-S1108 PolarHBondContact O-N 3.48Å |
| 1105 | K | 86.8 | Confident | 84.5 | Confident | 141 Ų | 141 | 69.6 Ų | 69.6 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.4 | -50.6 | 174.4 | -75.9 | 171.4 | -176.2 | -177.2 | 0 | 112.2 | L1101 E1102 E1103 H1107 S1108 L1109 | L1101-K1105 VanDerWaalsContact O-CB 3.28Å; L1101-K1105 WeakPolarHBondContact O-CB 3.42Å; L1101-K1105 WeakPolarHBondContact O-CD 3.24Å; L1101-K1105 WeakPolarHBondContact O-CG 3.35Å; L1101-K1105 PolarHBondContact O-N 3.47Å; E1102-K1105 PolarHBondContact O-N 3.36Å; E1103-K1105 VanDerWaalsContact C-N 3.31Å; E1103-K1105 PolarHBondContact O-N 3.08Å; K1105-H1107 VanDerWaalsContact C-N 3.33Å; K1105-H1107 PolarHBondContact O-N 3.44Å; K1105-S1108 PolarHBondContact O-N 3.48Å; K1105-L1109 WeakPolarHBondContact O-CB 3.3Å; K1105-L1109 VanDerWaalsContact O-CG 3.26Å; K1105-L1109 WeakPolarHBondContact O-CG 3.48Å; K1105-L1109 PolarHBondContact O-N 3.38Å |
| 1106 | L | 86.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -35.3 | -179.4 | -73.2 | 174.3 | 0 | 0 | 0 | 111.7 | M246 K249 L250 V253 E1102 E1103 K1110 | M246-L1106 HydrophobicContact SD-CD2 4.05Å; K249-L1106 HydrophobicContact CB-CD1 4.2Å; K249-L1106 HydrophobicContact CB-CD2 4.21Å; L250-L1106 HydrophobicContact CB-CB 4.4Å; L250-L1106 HydrophobicContact CD1-CB 3.81Å; V253-L1106 HydrophobicContact CB-CD1 4.39Å; V253-L1106 HydrophobicContact CG2-CD1 3.93Å; E1102-L1106 HydrophobicContact CG-CD1 3.96Å; E1102-L1106 HydrophobicContact CG-CG 4.39Å; E1102-L1106 VanDerWaalsContact O-CB 3.25Å; E1102-L1106 WeakPolarHBondContact O-CB 3.5Å; E1102-L1106 VanDerWaalsContact O-CG 3.23Å; E1102-L1106 WeakPolarHBondContact O-CG 3.23Å; E1102-L1106 PolarHBondContact O-N 3.43Å; E1103-L1106 PolarHBondContact O-N 3.47Å; L1106-K1110 WeakPolarHBondContact O-CB 3.02Å; L1106-K1110 PolarHBondContact O-N 3.33Å |
| 1107 | H | 87 | Confident | 86.1 | Confident | 95 Ų | 95 | 71.3 Ų | 71.3 | 44% | 0.44 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.8 | -42 | 175.8 | -169.1 | -72.1 | 0 | 0 | 0 | 111.1 | E1103 K1105 K1110 Q1111 | E1103-H1107 WeakPolarHBondContact O-CA 3.32Å; E1103-H1107 WeakPolarHBondContact O-CB 3.43Å; E1103-H1107 PolarHBondContact O-N 3.23Å; K1105-H1107 VanDerWaalsContact C-N 3.33Å; K1105-H1107 PolarHBondContact O-N 3.44Å; H1107-K1110 PolarHBondContact O-N 3.29Å; H1107-Q1111 VanDerWaalsContact O-CB 3.32Å; H1107-Q1111 WeakPolarHBondContact O-CB 3.36Å; H1107-Q1111 PolarHBondContact O-N 3.1Å |
| 1108 | S | 86.5 | Confident | 86.6 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | E1104 K1105 K1110 Q1111 D1112 | E1104-S1108 VanDerWaalsContact O-CB 3.23Å; E1104-S1108 WeakPolarHBondContact O-CB 3.42Å; E1104-S1108 PolarHBondContact O-N 3.48Å; K1105-S1108 PolarHBondContact O-N 3.48Å; S1108-K1110 PolarHBondContact O-N 3.23Å; S1108-Q1111 PolarHBondContact O-N 3.48Å; S1108-Q1111 VanDerWaalsContact O-N 3.16Å; S1108-D1112 PolarHBondContact O-N 3.3Å |
| 1109 | L | 86 | Confident | 86.9 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 177.9 | -72 | 168 | 0 | 0 | 0 | 112.3 | K1105 Q1111 D1112 I1113 | K1105-L1109 WeakPolarHBondContact O-CB 3.3Å; K1105-L1109 VanDerWaalsContact O-CG 3.26Å; K1105-L1109 WeakPolarHBondContact O-CG 3.48Å; K1105-L1109 PolarHBondContact O-N 3.38Å; L1109-Q1111 VanDerWaalsContact C-N 3.34Å; L1109-D1112 PolarHBondContact O-N 3.42Å; L1109-I1113 WeakPolarHBondContact O-CD1 3.28Å; L1109-I1113 VanDerWaalsContact O-CG1 3.25Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; L1109-I1113 PolarHBondContact O-N 3.26Å |
| 1110 | K | 88.5 | Confident | 87.4 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.8 | -178.1 | -173.4 | 174 | -174.3 | 0 | 111.2 | L243 L250 L1106 H1107 S1108 S1114 | L243-K1110 HydrophobicContact CD1-CG 3.79Å; L250-K1110 HydrophobicContact CD2-CD 3.82Å; L1106-K1110 WeakPolarHBondContact O-CB 3.02Å; L1106-K1110 PolarHBondContact O-N 3.33Å; H1107-K1110 PolarHBondContact O-N 3.29Å; S1108-K1110 PolarHBondContact O-N 3.23Å; K1110-S1114 VanDerWaalsContact O-CB 3.22Å; K1110-S1114 WeakPolarHBondContact O-CB 3.34Å; K1110-S1114 PolarHBondContact O-N 3.32Å |
| 1111 | Q | 88 | Confident | 87.9 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 41% | 0.411 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.3 | -173.2 | 63.5 | 38.1 | 0 | 0 | 111.2 | H1107 S1108 L1109 S1114 N1115 | H1107-Q1111 VanDerWaalsContact O-CB 3.32Å; H1107-Q1111 WeakPolarHBondContact O-CB 3.36Å; H1107-Q1111 PolarHBondContact O-N 3.1Å; S1108-Q1111 PolarHBondContact O-N 3.48Å; S1108-Q1111 VanDerWaalsContact O-N 3.16Å; L1109-Q1111 VanDerWaalsContact C-N 3.34Å; Q1111-S1114 PolarHBondContact O-N 3.15Å; Q1111-N1115 PolarHBondContact NE2-OD1 3.12Å; Q1111-N1115 WeakPolarHBondContact O-CB 3.39Å; Q1111-N1115 PolarHBondContact O-N 2.78Å; Q1111-N1115 PolarHBondContact O-ND2 3Å; Q1111-N1115 PolarHBondContact O-OD1 3.32Å |
| 1112 | D | 87.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.7 | -66.7 | -28.3 | 0 | 0 | 0 | 111.4 | S1108 L1109 N1115 Q1116 | S1108-D1112 PolarHBondContact O-N 3.3Å; L1109-D1112 PolarHBondContact O-N 3.42Å; D1112-N1115 PolarHBondContact O-N 3.25Å; D1112-Q1116 VanDerWaalsContact O-CG 3.31Å; D1112-Q1116 WeakPolarHBondContact O-CG 3.29Å; D1112-Q1116 PolarHBondContact O-N 3.14Å |
| 1113 | I | 87.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.2 | -65.7 | 162.3 | 0 | 0 | 0 | 110.8 | Q239 N242 L243 M246 L1109 Q1116 L1117 | Q239-I1113 HydrophobicContact CB-CG2 4.36Å; Q239-I1113 WeakPolarHBondContact O-CG2 3.41Å; N242-I1113 HydrophobicContact CB-CD1 4.08Å; N242-I1113 HydrophobicContact CB-CG2 4.4Å; L243-I1113 HydrophobicContact CB-CG2 3.95Å; L243-I1113 HydrophobicContact CD1-CB 4.48Å; L243-I1113 HydrophobicContact CD1-CG2 4.15Å; M246-I1113 HydrophobicContact CB-CD1 4.44Å; M246-I1113 HydrophobicContact CG-CD1 3.6Å; L1109-I1113 WeakPolarHBondContact O-CD1 3.28Å; L1109-I1113 VanDerWaalsContact O-CG1 3.25Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; L1109-I1113 PolarHBondContact O-N 3.26Å; I1113-Q1116 PolarHBondContact O-N 3.31Å; I1113-L1117 HydrophobicContact CG2-CD1 4.23Å; I1113-L1117 WeakPolarHBondContact O-CB 3.16Å; I1113-L1117 PolarHBondContact O-N 3.46Å |
| 1114 | S | 88.7 | Confident | 88.8 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | K1110 Q1111 L1117 S1118 | K1110-S1114 VanDerWaalsContact O-CB 3.22Å; K1110-S1114 WeakPolarHBondContact O-CB 3.34Å; K1110-S1114 PolarHBondContact O-N 3.32Å; Q1111-S1114 PolarHBondContact O-N 3.15Å; S1114-L1117 PolarHBondContact O-N 3Å; S1114-S1118 PolarHBondContact O-N 2.93Å |
| 1115 | N | 88.1 | Confident | 89.2 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 174.6 | -68.6 | -16.1 | 0 | 0 | 0 | 110.8 | Q1111 D1112 L1117 S1118 E1119 | Q1111-N1115 PolarHBondContact NE2-OD1 3.12Å; Q1111-N1115 WeakPolarHBondContact O-CB 3.39Å; Q1111-N1115 PolarHBondContact O-N 2.78Å; Q1111-N1115 PolarHBondContact O-ND2 3Å; Q1111-N1115 PolarHBondContact O-OD1 3.32Å; D1112-N1115 PolarHBondContact O-N 3.25Å; N1115-L1117 VanDerWaalsContact C-N 3.34Å; N1115-L1117 PolarHBondContact O-N 3.33Å; N1115-S1118 WeakPolarHBondContact O-CB 3.42Å; N1115-S1118 PolarHBondContact O-N 3.32Å; N1115-S1118 VanDerWaalsContact O-N 3.14Å; N1115-E1119 WeakPolarHBondContact O-CG 3.29Å; N1115-E1119 PolarHBondContact O-N 3.18Å |
| 1116 | Q | 89.5 | Confident | 89.3 | Confident | 85 Ų | 85 | 69 Ų | 69 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.7 | -72.4 | 175.4 | 7.6 | 0 | 0 | 112 | D1112 I1113 S1118 E1119 L1120 | D1112-Q1116 VanDerWaalsContact O-CG 3.31Å; D1112-Q1116 WeakPolarHBondContact O-CG 3.29Å; D1112-Q1116 PolarHBondContact O-N 3.14Å; I1113-Q1116 PolarHBondContact O-N 3.31Å; Q1116-S1118 VanDerWaalsContact C-N 3.34Å; Q1116-S1118 PolarHBondContact O-N 3.17Å; Q1116-E1119 PolarHBondContact O-N 2.97Å; Q1116-L1120 WeakPolarHBondContact O-CB 3.34Å; Q1116-L1120 VanDerWaalsContact O-CG 3.28Å; Q1116-L1120 WeakPolarHBondContact O-CG 3.14Å; Q1116-L1120 PolarHBondContact O-N 3.48Å |
| 1117 | L | 90.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.1 | -83.2 | 168.8 | 0 | 0 | 0 | 111.9 | I236 Q239 E240 L243 I1113 S1114 N1115 N1121 | I236-L1117 HydrophobicContact CG2-CD2 4.06Å; Q239-L1117 HydrophobicContact CB-CD1 4.38Å; Q239-L1117 HydrophobicContact CB-CD2 3.58Å; Q239-L1117 HydrophobicContact CB-CG 3.73Å; E240-L1117 HydrophobicContact CG-CD1 4.33Å; E240-L1117 HydrophobicContact CG-CD2 3.74Å; L243-L1117 HydrophobicContact CB-CD1 4.12Å; L243-L1117 HydrophobicContact CD2-CD1 3.81Å; L243-L1117 HydrophobicContact CG-CD1 4.44Å; I1113-L1117 HydrophobicContact CG2-CD1 4.23Å; I1113-L1117 WeakPolarHBondContact O-CB 3.16Å; I1113-L1117 PolarHBondContact O-N 3.46Å; S1114-L1117 PolarHBondContact O-N 3Å; N1115-L1117 VanDerWaalsContact C-N 3.34Å; N1115-L1117 PolarHBondContact O-N 3.33Å; L1117-N1121 WeakPolarHBondContact O-CB 3.41Å; L1117-N1121 PolarHBondContact O-N 3.37Å; L1117-N1121 PolarHBondContact O-ND2 2.77Å |
| 1118 | S | 89.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 175.8 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | S1114 N1115 Q1116 N1121 A1122 | S1114-S1118 PolarHBondContact O-N 2.93Å; N1115-S1118 WeakPolarHBondContact O-CB 3.42Å; N1115-S1118 PolarHBondContact O-N 3.32Å; N1115-S1118 VanDerWaalsContact O-N 3.14Å; Q1116-S1118 VanDerWaalsContact C-N 3.34Å; Q1116-S1118 PolarHBondContact O-N 3.17Å; S1118-N1121 PolarHBondContact O-N 2.98Å; S1118-A1122 WeakPolarHBondContact O-CB 3.41Å; S1118-A1122 PolarHBondContact O-N 2.91Å |
| 1119 | E | 90.1 | Very high | 89.8 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 176.5 | -71.1 | 177.4 | -174 | 0 | 0 | 112.3 | N1115 Q1116 A1122 K1123 | N1115-E1119 WeakPolarHBondContact O-CG 3.29Å; N1115-E1119 PolarHBondContact O-N 3.18Å; Q1116-E1119 PolarHBondContact O-N 2.97Å; E1119-A1122 PolarHBondContact O-N 3.41Å; E1119-K1123 PolarHBondContact O-N 2.86Å |
| 1120 | L | 92.8 | Very high | 89.9 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.9 | -71 | 173.2 | 0 | 0 | 0 | 111.8 | T232 I236 Q239 Q1116 K1123 L1124 | T232-L1120 HydrophobicContact CG2-CB 4.47Å; T232-L1120 HydrophobicContact CG2-CD2 4.28Å; T232-L1120 WeakPolarHBondContact CG2-O 3.41Å; I236-L1120 HydrophobicContact CD1-CB 4.19Å; I236-L1120 HydrophobicContact CG1-CB 3.62Å; I236-L1120 HydrophobicContact CG1-CD1 4.28Å; Q239-L1120 HydrophobicContact CG-CD1 4.02Å; Q1116-L1120 WeakPolarHBondContact O-CB 3.34Å; Q1116-L1120 VanDerWaalsContact O-CG 3.28Å; Q1116-L1120 WeakPolarHBondContact O-CG 3.14Å; Q1116-L1120 PolarHBondContact O-N 3.48Å; L1120-K1123 WeakPolarHBondContact O-CB 3.44Å; L1120-K1123 PolarHBondContact O-N 2.79Å; L1120-L1124 WeakPolarHBondContact O-CB 3.37Å; L1120-L1124 PolarHBondContact O-N 3.37Å |
| 1121 | N | 91.5 | Very high | 89.9 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.6 | -82.7 | -56.1 | 0 | 0 | 0 | 112.2 | L1117 S1118 K1123 L1124 C1125 | L1117-N1121 WeakPolarHBondContact O-CB 3.41Å; L1117-N1121 PolarHBondContact O-N 3.37Å; L1117-N1121 PolarHBondContact O-ND2 2.77Å; S1118-N1121 PolarHBondContact O-N 2.98Å; N1121-K1123 VanDerWaalsContact C-N 3.35Å; N1121-L1124 PolarHBondContact O-N 3.35Å; N1121-C1125 WeakPolarHBondContact O-CB 3.46Å; N1121-C1125 PolarHBondContact O-N 3.14Å |
| 1122 | A | 91.2 | Very high | 89.9 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1118 E1119 C1125 Y1126 | S1118-A1122 WeakPolarHBondContact O-CB 3.41Å; S1118-A1122 PolarHBondContact O-N 2.91Å; E1119-A1122 PolarHBondContact O-N 3.41Å; A1122-C1125 PolarHBondContact O-N 3.45Å; A1122-Y1126 PolarHBondContact O-N 3.06Å |
| 1123 | K | 90.9 | Very high | 89.7 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 173.5 | -171.5 | -178.6 | 179.9 | -170.4 | 0 | 111.8 | T232 E1119 L1120 N1121 C1125 Y1126 L1127 | T232-K1123 HydrophobicContact CG2-CB 4.45Å; T232-K1123 HydrophobicContact CG2-CD 4.46Å; E1119-K1123 PolarHBondContact O-N 2.86Å; L1120-K1123 WeakPolarHBondContact O-CB 3.44Å; L1120-K1123 PolarHBondContact O-N 2.79Å; N1121-K1123 VanDerWaalsContact C-N 3.35Å; K1123-C1125 VanDerWaalsContact C-N 3.32Å; K1123-C1125 PolarHBondContact O-N 3.49Å; K1123-Y1126 WeakPolarHBondContact O-CB 3.33Å; K1123-Y1126 PolarHBondContact O-N 3.02Å; K1123-L1127 HydrophobicContact CG-CD1 4.18Å; K1123-L1127 HydrophobicContact CG-CG 4.46Å; K1123-L1127 WeakPolarHBondContact O-CG 3.46Å; K1123-L1127 PolarHBondContact O-N 2.82Å |
| 1124 | L | 92.1 | Very high | 89.5 | Confident | 20 Ų | 20 | 71.7 Ų | 71.7 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 176.4 | -179.6 | 65.3 | 0 | 0 | 0 | 111.4 | R229 T232 L233 I236 L1120 N1121 L1127 N1128 | R229-L1124 HydrophobicContact CG-CD1 3.73Å; T232-L1124 HydrophobicContact CG2-CB 4.08Å; L233-L1124 HydrophobicContact CD2-CD1 3.9Å; L233-L1124 HydrophobicContact CD2-CD2 3.61Å; L233-L1124 HydrophobicContact CD2-CG 4.43Å; L233-L1124 HydrophobicContact CG-CD1 3.83Å; L233-L1124 HydrophobicContact CG-CD2 4.43Å; I236-L1124 HydrophobicContact CD1-CB 3.94Å; I236-L1124 HydrophobicContact CD1-CD2 3.64Å; I236-L1124 HydrophobicContact CD1-CG 4.33Å; L1120-L1124 WeakPolarHBondContact O-CB 3.37Å; L1120-L1124 PolarHBondContact O-N 3.37Å; N1121-L1124 PolarHBondContact O-N 3.35Å; L1124-L1127 PolarHBondContact O-N 2.9Å; L1124-N1128 VanDerWaalsContact O-CB 3.31Å; L1124-N1128 WeakPolarHBondContact O-CB 3.21Å; L1124-N1128 VanDerWaalsContact O-CG 3.32Å; L1124-N1128 PolarHBondContact O-N 3.45Å; L1124-N1128 PolarHBondContact O-ND2 3.17Å |
| 1125 | C | 92.1 | Very high | 89.5 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 58% | 0.581 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | N1121 A1122 K1123 N1128 R1129 | N1121-C1125 WeakPolarHBondContact O-CB 3.46Å; N1121-C1125 PolarHBondContact O-N 3.14Å; A1122-C1125 PolarHBondContact O-N 3.45Å; K1123-C1125 VanDerWaalsContact C-N 3.32Å; K1123-C1125 PolarHBondContact O-N 3.49Å; C1125-N1128 PolarHBondContact O-N 3.25Å; C1125-R1129 WeakPolarHBondContact O-CB 3.36Å; C1125-R1129 PolarHBondContact O-N 3.12Å |
| 1126 | Y | 89.9 | Confident | 89.4 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.4 | 177.2 | -93.1 | 0 | 0 | 0 | 112.2 | A1122 K1123 R1129 D1130 | A1122-Y1126 PolarHBondContact O-N 3.06Å; K1123-Y1126 WeakPolarHBondContact O-CB 3.33Å; K1123-Y1126 PolarHBondContact O-N 3.02Å; Y1126-R1129 VanDerWaalsContact CD2-NH2 3.35Å; Y1126-R1129 PolarHBondContact O-N 2.95Å; Y1126-D1130 PolarHBondContact O-N 3.04Å |
| 1127 | L | 90.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 178.6 | -70.2 | 172.8 | 0 | 0 | 0 | 111.8 | L225 E228 R229 K1123 L1124 D1130 L1131 | L225-L1127 HydrophobicContact CD2-CD2 3.67Å; E228-L1127 HydrophobicContact CB-CD1 4.09Å; E228-L1127 HydrophobicContact CB-CD2 4.2Å; R229-L1127 HydrophobicContact CB-CB 4.5Å; R229-L1127 HydrophobicContact CB-CD1 4.44Å; K1123-L1127 HydrophobicContact CG-CD1 4.18Å; K1123-L1127 HydrophobicContact CG-CG 4.46Å; K1123-L1127 WeakPolarHBondContact O-CG 3.46Å; K1123-L1127 PolarHBondContact O-N 2.82Å; L1124-L1127 PolarHBondContact O-N 2.9Å; L1127-D1130 PolarHBondContact O-N 3.04Å; L1127-L1131 VanDerWaalsContact O-CB 3.29Å; L1127-L1131 WeakPolarHBondContact O-CB 3.38Å; L1127-L1131 VanDerWaalsContact O-CG 3.25Å; L1127-L1131 WeakPolarHBondContact O-CG 3.47Å; L1127-L1131 PolarHBondContact O-N 3.2Å |
| 1128 | N | 89.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.2 | -78.5 | -30.2 | 0 | 0 | 0 | 112 | R229 L1124 C1125 N1132 | R229-N1128 VanDerWaalsContact CD-OD1 3.32Å; R229-N1128 WeakPolarHBondContact CD-OD1 3.4Å; L1124-N1128 VanDerWaalsContact O-CB 3.31Å; L1124-N1128 WeakPolarHBondContact O-CB 3.21Å; L1124-N1128 VanDerWaalsContact O-CG 3.32Å; L1124-N1128 PolarHBondContact O-N 3.45Å; L1124-N1128 PolarHBondContact O-ND2 3.17Å; C1125-N1128 PolarHBondContact O-N 3.25Å; N1128-N1132 VanDerWaalsContact O-CB 3.23Å; N1128-N1132 WeakPolarHBondContact O-CB 3.33Å; N1128-N1132 PolarHBondContact O-N 3.29Å; N1128-N1132 PolarHBondContact O-ND2 3.23Å |
| 1129 | R | 90.7 | Very high | 89.1 | Confident | 121 Ų | 121 | 68.1 Ų | 68.1 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 176.1 | -174.7 | -174.4 | 65.9 | -172.3 | -0.7 | 111.1 | C1125 Y1126 L1131 N1132 E1133 | C1125-R1129 WeakPolarHBondContact O-CB 3.36Å; C1125-R1129 PolarHBondContact O-N 3.12Å; Y1126-R1129 VanDerWaalsContact CD2-NH2 3.35Å; Y1126-R1129 PolarHBondContact O-N 2.95Å; R1129-L1131 VanDerWaalsContact C-N 3.34Å; R1129-L1131 PolarHBondContact O-N 3.49Å; R1129-N1132 PolarHBondContact O-N 3.01Å; R1129-E1133 VanDerWaalsContact CG-CD 3.41Å; R1129-E1133 HydrophobicContact CG-CG 4.04Å; R1129-E1133 VanDerWaalsContact CG-OE1 3.26Å; R1129-E1133 WeakPolarHBondContact CG-OE1 3.46Å; R1129-E1133 WeakPolarHBondContact O-CB 3.41Å; R1129-E1133 WeakPolarHBondContact O-CG 3.43Å; R1129-E1133 PolarHBondContact O-N 3.2Å |
| 1130 | D | 87.1 | Confident | 89 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | -179.1 | -89.4 | 42.4 | 0 | 0 | 0 | 111.6 | L225 Y1126 L1127 K1134 Y1135 | L225-D1130 HydrophobicContact CD1-CB 4.29Å; Y1126-D1130 PolarHBondContact O-N 3.04Å; L1127-D1130 PolarHBondContact O-N 3.04Å; D1130-K1134 WeakPolarHBondContact O-CB 3.33Å; D1130-K1134 PolarHBondContact O-N 2.9Å; D1130-K1134 IonicContact OD1-NZ 3.53Å; D1130-K1134 IonicContact OD2-NZ 3.66Å; D1130-K1134 PolarHBondContact OD2-NZ 3.5Å; D1130-Y1135 WeakPolarHBondContact O-CD2 3.29Å |
| 1131 | L | 89.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 173 | -76.5 | 171.6 | 0 | 0 | 0 | 112.3 | L225 R226 R229 L1127 R1129 Y1135 T1136 | L225-L1131 HydrophobicContact CB-CD1 4.49Å; L225-L1131 HydrophobicContact CB-CD2 3.67Å; L225-L1131 HydrophobicContact CB-CG 3.98Å; R226-L1131 HydrophobicContact CG-CD1 4.02Å; R226-L1131 HydrophobicContact CG-CD2 3.67Å; R229-L1131 HydrophobicContact CB-CD1 4.17Å; R229-L1131 HydrophobicContact CG-CD1 4.4Å; L1127-L1131 VanDerWaalsContact O-CB 3.29Å; L1127-L1131 WeakPolarHBondContact O-CB 3.38Å; L1127-L1131 VanDerWaalsContact O-CG 3.25Å; L1127-L1131 WeakPolarHBondContact O-CG 3.47Å; L1127-L1131 PolarHBondContact O-N 3.2Å; R1129-L1131 VanDerWaalsContact C-N 3.34Å; R1129-L1131 PolarHBondContact O-N 3.49Å; L1131-Y1135 CarbonylContact O-C 3.14Å; L1131-Y1135 WeakPolarHBondContact O-CA 3.31Å; L1131-Y1135 PolarHBondContact O-N 2.87Å; L1131-T1136 PolarHBondContact O-N 3.43Å; L1131-T1136 PolarHBondContact O-OG1 2.9Å |
| 1132 | N | 86.5 | Confident | 89 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -76.8 | -36.9 | -177.8 | -74 | -18.3 | 0 | 0 | 0 | 113.5 | N1128 R1129 T1136 | N1128-N1132 VanDerWaalsContact O-CB 3.23Å; N1128-N1132 WeakPolarHBondContact O-CB 3.33Å; N1128-N1132 PolarHBondContact O-N 3.29Å; N1128-N1132 PolarHBondContact O-ND2 3.23Å; R1129-N1132 PolarHBondContact O-N 3.01Å; N1132-T1136 WeakPolarHBondContact CA-OG1 3.38Å; N1132-T1136 PolarHBondContact O-OG1 3.44Å |
| 1133 | E | 84.2 | Confident | 88.9 | Confident | 139 Ų | 139 | 70 Ų | 70 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -82.5 | -40.9 | -176.7 | -71.7 | -178.9 | 179.8 | 0 | 0 | 112.4 | R1129 | R1129-E1133 VanDerWaalsContact CG-CD 3.41Å; R1129-E1133 HydrophobicContact CG-CG 4.04Å; R1129-E1133 VanDerWaalsContact CG-OE1 3.26Å; R1129-E1133 WeakPolarHBondContact CG-OE1 3.46Å; R1129-E1133 WeakPolarHBondContact O-CB 3.41Å; R1129-E1133 WeakPolarHBondContact O-CG 3.43Å; R1129-E1133 PolarHBondContact O-N 3.2Å |
| 1134 | K | 83.9 | Confident | 89 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -107.7 | -29.5 | -170.7 | -60.9 | 174.2 | -172.2 | 161 | 0 | 114.1 | D1130 | D1130-K1134 WeakPolarHBondContact O-CB 3.33Å; D1130-K1134 PolarHBondContact O-N 2.9Å; D1130-K1134 IonicContact OD1-NZ 3.53Å; D1130-K1134 IonicContact OD2-NZ 3.66Å; D1130-K1134 PolarHBondContact OD2-NZ 3.5Å |
| 1135 | Y | 89.4 | Confident | 89 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -126.4 | 12.4 | -164.8 | -56.8 | -72.5 | 0 | 0 | 0 | 115.1 | N218 E221 A222 L225 D1130 L1131 N1137 A1138 | N218-Y1135 HydrophobicContact CB-CD1 4.43Å; N218-Y1135 HydrophobicContact CB-CE1 4.35Å; N218-Y1135 WeakPolarHBondContact O-CD1 3.24Å; E221-Y1135 HydrophobicContact CB-CE1 3.83Å; E221-Y1135 PolarHBondContact OE2-OH 3.28Å; A222-Y1135 HydrophobicContact CB-CD1 4.04Å; A222-Y1135 HydrophobicContact CB-CG 3.99Å; L225-Y1135 HydrophobicContact CD1-CD2 3.58Å; L225-Y1135 HydrophobicContact CD1-CE2 3.42Å; L225-Y1135 VanDerWaalsContact CD1-CE2 3.42Å; D1130-Y1135 WeakPolarHBondContact O-CD2 3.29Å; L1131-Y1135 CarbonylContact O-C 3.14Å; L1131-Y1135 WeakPolarHBondContact O-CA 3.31Å; L1131-Y1135 PolarHBondContact O-N 2.87Å; Y1135-N1137 VanDerWaalsContact C-N 3.3Å; Y1135-N1137 PolarHBondContact O-N 3.3Å; Y1135-A1138 HydrophobicContact CD1-CB 4.49Å; Y1135-A1138 PolarHBondContact O-N 2.88Å |
| 1136 | T | 84.8 | Confident | 89 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 45% | 0.454 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -46.6 | -178.4 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | L1131 N1132 | L1131-T1136 PolarHBondContact O-N 3.43Å; L1131-T1136 PolarHBondContact O-OG1 2.9Å; N1132-T1136 WeakPolarHBondContact CA-OG1 3.38Å; N1132-T1136 PolarHBondContact O-OG1 3.44Å |
| 1137 | N | 86.7 | Confident | 89.2 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 11.1 | -175.3 | -65.2 | -33 | 0 | 0 | 0 | 113.7 | Y1135 D1139 N1140 E1141 | Y1135-N1137 VanDerWaalsContact C-N 3.3Å; Y1135-N1137 PolarHBondContact O-N 3.3Å; N1137-D1139 VanDerWaalsContact C-N 3.27Å; N1137-D1139 PolarHBondContact O-N 2.76Å; N1137-D1139 VanDerWaalsContact O-N 3.15Å; N1137-N1140 PolarHBondContact O-N 2.82Å; N1137-E1141 HydrophobicContact CB-CG 4.16Å; N1137-E1141 WeakPolarHBondContact O-CG 3.31Å; N1137-E1141 PolarHBondContact O-N 2.97Å |
| 1138 | A | 89.1 | Confident | 89.3 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56 | -38.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.4 | A222 Y1135 Y1142 | A222-A1138 HydrophobicContact CB-CB 3.92Å; Y1135-A1138 HydrophobicContact CD1-CB 4.49Å; Y1135-A1138 PolarHBondContact O-N 2.88Å; A1138-Y1142 VanDerWaalsContact O-CB 3.24Å; A1138-Y1142 WeakPolarHBondContact O-CB 3.46Å; A1138-Y1142 PolarHBondContact O-N 3.05Å; A1138-Y1142 VanDerWaalsContact O-N 3.13Å |
| 1139 | D | 87.2 | Confident | 89.5 | Confident | 31 Ų | 31 | 73 Ų | 73 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 176.4 | -66.1 | -57.7 | 0 | 0 | 0 | 112.9 | R219 R226 N1137 R1143 | R219-D1139 VanDerWaalsContact CG-OD1 3.31Å; R219-D1139 WeakPolarHBondContact CG-OD1 3.42Å; R226-D1139 IonicContact CZ-OD2 2.68Å; R226-D1139 IonicContact NH1-OD2 2.85Å; R226-D1139 PolarHBondContact NH1-OD2 3.2Å; R226-D1139 IonicContact NH2-OD2 3.54Å; R226-D1139 PolarHBondContact NH2-OD2 2.71Å; N1137-D1139 VanDerWaalsContact C-N 3.27Å; N1137-D1139 PolarHBondContact O-N 2.76Å; N1137-D1139 VanDerWaalsContact O-N 3.15Å; D1139-R1143 WeakPolarHBondContact O-CB 3.49Å; D1139-R1143 WeakPolarHBondContact O-CG 3.43Å; D1139-R1143 PolarHBondContact O-N 3.37Å |
| 1140 | N | 89.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.4 | -47.3 | -178.5 | -69 | -23.1 | 0 | 0 | 0 | 110.3 | N1137 Y1142 R1143 D1144 | N1137-N1140 PolarHBondContact O-N 2.82Å; N1140-Y1142 VanDerWaalsContact C-N 3.32Å; N1140-Y1142 PolarHBondContact O-N 2.9Å; N1140-R1143 PolarHBondContact O-N 2.95Å; N1140-R1143 VanDerWaalsContact O-N 3.17Å; N1140-D1144 WeakPolarHBondContact O-CB 3.12Å; N1140-D1144 VanDerWaalsContact O-CG 3.32Å; N1140-D1144 PolarHBondContact O-N 3.43Å |
| 1141 | E | 89.4 | Confident | 89.9 | Confident | 93 Ų | 93 | 76.5 Ų | 76.5 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.5 | -69.1 | 175.9 | -174.9 | 0 | 0 | 111.2 | L215 N1137 M1145 | L215-E1141 HydrophobicContact CD1-CB 4.29Å; L215-E1141 WeakPolarHBondContact CD1-O 3.18Å; L215-E1141 HydrophobicContact CD2-CB 3.94Å; N1137-E1141 HydrophobicContact CB-CG 4.16Å; N1137-E1141 WeakPolarHBondContact O-CG 3.31Å; N1137-E1141 PolarHBondContact O-N 2.97Å; E1141-M1145 VanDerWaalsContact O-CB 3.28Å; E1141-M1145 WeakPolarHBondContact O-CB 3.46Å; E1141-M1145 PolarHBondContact O-N 3.11Å |
| 1142 | Y | 93.5 | Very high | 90 | Very high | 39 Ų | 39 | 77 Ų | 77 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 174.4 | 171.9 | -91.5 | 0 | 0 | 0 | 112.1 | L212 T216 A1138 N1140 M1146 | L212-Y1142 HydrophobicContact CD1-CD2 3.74Å; L212-Y1142 HydrophobicContact CD1-CE2 3.71Å; L212-Y1142 HydrophobicContact CD1-CG 4.47Å; L212-Y1142 HydrophobicContact CG-CE2 4.22Å; T216-Y1142 HydrophobicContact CG2-CE2 4.47Å; T216-Y1142 WeakPolarHBondContact OG1-CE2 3.24Å; A1138-Y1142 VanDerWaalsContact O-CB 3.24Å; A1138-Y1142 WeakPolarHBondContact O-CB 3.46Å; A1138-Y1142 PolarHBondContact O-N 3.05Å; A1138-Y1142 VanDerWaalsContact O-N 3.13Å; N1140-Y1142 VanDerWaalsContact C-N 3.32Å; N1140-Y1142 PolarHBondContact O-N 2.9Å; Y1142-M1146 HydrophobicContact CE1-SD 3.92Å; Y1142-M1146 VanDerWaalsContact O-CB 3.22Å; Y1142-M1146 WeakPolarHBondContact O-CB 3.35Å; Y1142-M1146 PolarHBondContact O-N 3.28Å |
| 1143 | R | 90.8 | Very high | 90.3 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 49% | 0.494 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 179.9 | -74.9 | 171.4 | -172 | -179.7 | 3.3 | 111.8 | D1139 N1140 M1145 M1146 Y1147 | D1139-R1143 WeakPolarHBondContact O-CB 3.49Å; D1139-R1143 WeakPolarHBondContact O-CG 3.43Å; D1139-R1143 PolarHBondContact O-N 3.37Å; N1140-R1143 PolarHBondContact O-N 2.95Å; N1140-R1143 VanDerWaalsContact O-N 3.17Å; R1143-M1145 PolarHBondContact O-N 3.31Å; R1143-M1146 WeakPolarHBondContact O-CB 3.46Å; R1143-M1146 PolarHBondContact O-N 3.1Å; R1143-Y1147 HydrophobicContact CB-CE2 4.17Å; R1143-Y1147 WeakPolarHBondContact O-CD2 3.34Å; R1143-Y1147 VanDerWaalsContact O-CG 3.24Å; R1143-Y1147 PolarHBondContact O-N 3.38Å |
| 1144 | D | 91.7 | Very high | 90.7 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 179.2 | -73.7 | -14.3 | 0 | 0 | 0 | 111 | N1140 M1146 Y1147 Q1148 | N1140-D1144 WeakPolarHBondContact O-CB 3.12Å; N1140-D1144 VanDerWaalsContact O-CG 3.32Å; N1140-D1144 PolarHBondContact O-N 3.43Å; D1144-M1146 VanDerWaalsContact C-N 3.34Å; D1144-M1146 PolarHBondContact O-N 2.9Å; D1144-Y1147 PolarHBondContact O-N 2.86Å; D1144-Q1148 WeakPolarHBondContact O-CG 3.35Å; D1144-Q1148 PolarHBondContact O-N 3.32Å |
| 1145 | M | 92 | Very high | 91.1 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.069 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.3 | -171.7 | 54.2 | 54.2 | 0 | 0 | 112 | Y208 E211 L212 L215 E1141 R1143 Q1148 L1149 | Y208-M1145 HydrophobicContact CD1-CE 4.21Å; Y208-M1145 HydrophobicContact CD1-SD 3.43Å; Y208-M1145 WeakPolarHBondContact CD1-SD 3.23Å; Y208-M1145 HydrophobicContact CE1-SD 4.28Å; Y208-M1145 HydrophobicContact CG-SD 3.83Å; E211-M1145 HydrophobicContact CB-CE 4.43Å; E211-M1145 HydrophobicContact CB-CG 4.33Å; E211-M1145 HydrophobicContact CB-SD 4.19Å; E211-M1145 HydrophobicContact CG-CE 3.86Å; E211-M1145 HydrophobicContact CG-CG 4.3Å; E211-M1145 HydrophobicContact CG-SD 4.24Å; E211-M1145 WeakPolarHBondContact OE1-CE 3.36Å; E211-M1145 WeakPolarHBondContact OE2-CE 3.48Å; L212-M1145 HydrophobicContact CB-CG 4.08Å; L212-M1145 HydrophobicContact CD1-CB 4.08Å; L212-M1145 HydrophobicContact CD1-CG 4.1Å; L215-M1145 HydrophobicContact CD1-CB 3.56Å; L215-M1145 HydrophobicContact CD1-CG 3.89Å; E1141-M1145 VanDerWaalsContact O-CB 3.28Å; E1141-M1145 WeakPolarHBondContact O-CB 3.46Å; E1141-M1145 PolarHBondContact O-N 3.11Å; R1143-M1145 PolarHBondContact O-N 3.31Å; M1145-Q1148 PolarHBondContact O-N 3.25Å; M1145-L1149 VanDerWaalsContact O-CB 3.31Å; M1145-L1149 WeakPolarHBondContact O-CB 3.37Å; M1145-L1149 PolarHBondContact O-N 3.03Å |
| 1146 | M | 92.9 | Very high | 91.2 | Very high | 89 Ų | 89 | 67 Ų | 67 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175 | -176.9 | 177.1 | 176 | 0 | 0 | 111.3 | L212 Y1142 R1143 D1144 K1150 | L212-M1146 HydrophobicContact CD1-CB 3.95Å; Y1142-M1146 HydrophobicContact CE1-SD 3.92Å; Y1142-M1146 VanDerWaalsContact O-CB 3.22Å; Y1142-M1146 WeakPolarHBondContact O-CB 3.35Å; Y1142-M1146 PolarHBondContact O-N 3.28Å; R1143-M1146 WeakPolarHBondContact O-CB 3.46Å; R1143-M1146 PolarHBondContact O-N 3.1Å; D1144-M1146 VanDerWaalsContact C-N 3.34Å; D1144-M1146 PolarHBondContact O-N 2.9Å; M1146-K1150 WeakPolarHBondContact O-CB 3.29Å; M1146-K1150 PolarHBondContact O-N 3.16Å |
| 1147 | Y | 93.7 | Very high | 91.5 | Very high | 146 Ų | 146 | 65.6 Ų | 65.6 | 57% | 0.573 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 176.4 | -63.7 | -36.3 | 0 | 0 | 0 | 112.3 | R1143 D1144 K1150 T1151 | R1143-Y1147 HydrophobicContact CB-CE2 4.17Å; R1143-Y1147 WeakPolarHBondContact O-CD2 3.34Å; R1143-Y1147 VanDerWaalsContact O-CG 3.24Å; R1143-Y1147 PolarHBondContact O-N 3.38Å; D1144-Y1147 PolarHBondContact O-N 2.86Å; Y1147-K1150 PolarHBondContact O-N 2.92Å; Y1147-T1151 VanDerWaalsContact O-CB 3.24Å; Y1147-T1151 WeakPolarHBondContact O-CB 3.43Å; Y1147-T1151 PolarHBondContact O-N 3.09Å; Y1147-T1151 PolarHBondContact O-OG1 2.83Å |
| 1148 | Q | 92.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.1 | -73 | 179 | 21 | 0 | 0 | 111.7 | Y208 D1144 M1145 S1152 | Y208-Q1148 HydrophobicContact CD2-CB 4.45Å; Y208-Q1148 HydrophobicContact CE2-CB 4.33Å; D1144-Q1148 WeakPolarHBondContact O-CG 3.35Å; D1144-Q1148 PolarHBondContact O-N 3.32Å; M1145-Q1148 PolarHBondContact O-N 3.25Å; Q1148-S1152 VanDerWaalsContact O-CB 3.26Å; Q1148-S1152 WeakPolarHBondContact O-CB 3.44Å; Q1148-S1152 PolarHBondContact O-N 3.25Å; Q1148-S1152 PolarHBondContact O-OG 3.34Å |
| 1149 | L | 93.8 | Very high | 92 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.9 | -52.7 | 175.5 | 174.5 | 59.6 | 0 | 0 | 0 | 110.7 | V205 K209 L212 M1145 T1151 S1152 E1153 | V205-L1149 HydrophobicContact CG1-CD1 3.91Å; K209-L1149 HydrophobicContact CD-CD1 4.43Å; K209-L1149 HydrophobicContact CG-CD1 3.63Å; K209-L1149 HydrophobicContact CG-CD2 3.88Å; K209-L1149 HydrophobicContact CG-CG 4.43Å; L212-L1149 HydrophobicContact CD2-CD2 3.61Å; M1145-L1149 VanDerWaalsContact O-CB 3.31Å; M1145-L1149 WeakPolarHBondContact O-CB 3.37Å; M1145-L1149 PolarHBondContact O-N 3.03Å; L1149-T1151 PolarHBondContact O-N 3.31Å; L1149-S1152 PolarHBondContact O-N 2.88Å; L1149-E1153 HydrophobicContact CD1-CG 4.14Å; L1149-E1153 WeakPolarHBondContact O-CG 3.36Å; L1149-E1153 PolarHBondContact O-N 2.77Å |
| 1150 | K | 92.2 | Very high | 92.1 | Very high | 111 Ų | 111 | 66.9 Ų | 66.9 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | -174.7 | -165.3 | 71.3 | -150.5 | 158 | 0 | 112.3 | M1146 Y1147 S1152 E1153 L1154 | M1146-K1150 WeakPolarHBondContact O-CB 3.29Å; M1146-K1150 PolarHBondContact O-N 3.16Å; Y1147-K1150 PolarHBondContact O-N 2.92Å; K1150-S1152 VanDerWaalsContact C-N 3.35Å; K1150-E1153 IonicContact NZ-OE2 2.69Å; K1150-E1153 PolarHBondContact NZ-OE2 3.34Å; K1150-E1153 PolarHBondContact O-N 2.96Å; K1150-L1154 WeakPolarHBondContact O-CG 3.04Å; K1150-L1154 PolarHBondContact O-N 3.46Å; K1150-L1154 VanDerWaalsContact O-N 3.07Å |
| 1151 | T | 94.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 70.6 Ų | 70.6 | 56% | 0.564 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | Y1147 L1149 L1154 A1155 | Y1147-T1151 VanDerWaalsContact O-CB 3.24Å; Y1147-T1151 WeakPolarHBondContact O-CB 3.43Å; Y1147-T1151 PolarHBondContact O-N 3.09Å; Y1147-T1151 PolarHBondContact O-OG1 2.83Å; L1149-T1151 PolarHBondContact O-N 3.31Å; T1151-L1154 PolarHBondContact O-N 3.03Å; T1151-A1155 WeakPolarHBondContact O-CB 3.34Å; T1151-A1155 PolarHBondContact O-N 2.83Å |
| 1152 | S | 92.7 | Very high | 92.2 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | Y208 Q1148 L1149 K1150 A1155 C1156 | Y208-S1152 WeakPolarHBondContact CE2-OG 3.36Å; Q1148-S1152 VanDerWaalsContact O-CB 3.26Å; Q1148-S1152 WeakPolarHBondContact O-CB 3.44Å; Q1148-S1152 PolarHBondContact O-N 3.25Å; Q1148-S1152 PolarHBondContact O-OG 3.34Å; L1149-S1152 PolarHBondContact O-N 2.88Å; K1150-S1152 VanDerWaalsContact C-N 3.35Å; S1152-A1155 PolarHBondContact O-N 2.78Å; S1152-C1156 PolarHBondContact O-N 3.34Å; S1152-C1156 PolarHBondContact O-SG 2.86Å |
| 1153 | E | 92.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 71.7 Ų | 71.7 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 173.6 | -75.1 | -172.7 | 152.3 | 0 | 0 | 112.1 | V205 K209 L1149 K1150 C1156 S1157 | V205-E1153 HydrophobicContact CG1-CG 3.91Å; V205-E1153 HydrophobicContact CG2-CG 4.26Å; K209-E1153 WeakPolarHBondContact CE-OE1 3.38Å; K209-E1153 IonicContact NZ-OE1 3.69Å; K209-E1153 PolarHBondContact NZ-OE1 3.17Å; L1149-E1153 HydrophobicContact CD1-CG 4.14Å; L1149-E1153 WeakPolarHBondContact O-CG 3.36Å; L1149-E1153 PolarHBondContact O-N 2.77Å; K1150-E1153 IonicContact NZ-OE2 2.69Å; K1150-E1153 PolarHBondContact NZ-OE2 3.34Å; K1150-E1153 PolarHBondContact O-N 2.96Å; E1153-C1156 PolarHBondContact O-N 2.68Å; E1153-S1157 PolarHBondContact O-N 3.33Å; E1153-S1157 VanDerWaalsContact O-N 3.1Å |
| 1154 | L | 93 | Very high | 91.9 | Very high | 97 Ų | 97 | 69.4 Ų | 69.4 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.6 | -70.4 | 172.2 | 0 | 0 | 0 | 111.2 | K1150 T1151 C1156 S1157 D1158 | K1150-L1154 WeakPolarHBondContact O-CG 3.04Å; K1150-L1154 PolarHBondContact O-N 3.46Å; K1150-L1154 VanDerWaalsContact O-N 3.07Å; T1151-L1154 PolarHBondContact O-N 3.03Å; L1154-C1156 VanDerWaalsContact C-N 3.34Å; L1154-C1156 PolarHBondContact O-N 3.3Å; L1154-S1157 WeakPolarHBondContact O-CB 3.14Å; L1154-S1157 PolarHBondContact O-N 2.82Å; L1154-D1158 PolarHBondContact O-N 3.17Å |
| 1155 | A | 93.1 | Very high | 91.8 | Very high | 38 Ų | 38 | 67.8 Ų | 67.8 | 31% | 0.314 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1151 S1152 S1157 D1158 L1159 | T1151-A1155 WeakPolarHBondContact O-CB 3.34Å; T1151-A1155 PolarHBondContact O-N 2.83Å; S1152-A1155 PolarHBondContact O-N 2.78Å; A1155-S1157 PolarHBondContact O-N 3.49Å; A1155-D1158 PolarHBondContact O-N 2.82Å; A1155-L1159 WeakPolarHBondContact O-CB 3.36Å; A1155-L1159 VanDerWaalsContact O-CG 3.25Å; A1155-L1159 WeakPolarHBondContact O-CG 3.47Å; A1155-L1159 PolarHBondContact O-N 2.85Å |
| 1156 | C | 91 | Very high | 91.6 | Very high | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | N201 S1152 E1153 L1154 E1160 | N201-C1156 WeakPolarHBondContact CB-SG 3.27Å; S1152-C1156 PolarHBondContact O-N 3.34Å; S1152-C1156 PolarHBondContact O-SG 2.86Å; E1153-C1156 PolarHBondContact O-N 2.68Å; L1154-C1156 VanDerWaalsContact C-N 3.34Å; L1154-C1156 PolarHBondContact O-N 3.3Å; C1156-E1160 PolarHBondContact O-N 2.86Å; C1156-E1160 VanDerWaalsContact O-N 3.07Å |
| 1157 | S | 91.5 | Very high | 91.2 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.2 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | E1153 L1154 A1155 E1160 R1161 | E1153-S1157 PolarHBondContact O-N 3.33Å; E1153-S1157 VanDerWaalsContact O-N 3.1Å; L1154-S1157 WeakPolarHBondContact O-CB 3.14Å; L1154-S1157 PolarHBondContact O-N 2.82Å; A1155-S1157 PolarHBondContact O-N 3.49Å; S1157-E1160 PolarHBondContact O-N 3.11Å; S1157-R1161 WeakPolarHBondContact O-CG 3.29Å; S1157-R1161 PolarHBondContact O-N 3.43Å |
| 1158 | D | 93.2 | Very high | 90.8 | Very high | 59 Ų | 59 | 66.9 Ų | 66.9 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 179.7 | -73 | -16 | 0 | 0 | 0 | 112.3 | L1154 A1155 E1160 R1161 Y1162 | L1154-D1158 PolarHBondContact O-N 3.17Å; A1155-D1158 PolarHBondContact O-N 2.82Å; D1158-E1160 VanDerWaalsContact C-N 3.25Å; D1158-E1160 PolarHBondContact O-N 3.45Å; D1158-R1161 WeakPolarHBondContact O-CB 3.43Å; D1158-R1161 PolarHBondContact O-N 3.44Å; D1158-R1161 VanDerWaalsContact O-N 3.09Å; D1158-R1161 IonicContact OD1-CZ 3.38Å; D1158-R1161 IonicContact OD1-NH1 2.9Å; D1158-R1161 PolarHBondContact OD1-NH1 2.89Å; D1158-R1161 VanDerWaalsContact OD1-NH1 3.08Å; D1158-Y1162 HydrophobicContact CB-CE2 4.1Å; D1158-Y1162 WeakPolarHBondContact O-CD2 3.48Å; D1158-Y1162 PolarHBondContact O-N 3.27Å |
| 1159 | L | 92.5 | Very high | 90.5 | Very high | 28 Ų | 28 | 65.4 Ų | 65.4 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 171.7 | -71.6 | 169.3 | 0 | 0 | 0 | 111.8 | I194 C197 K198 A1155 Y1163 | I194-L1159 HydrophobicContact CG2-CB 4.15Å; I194-L1159 HydrophobicContact CG2-CD2 4.05Å; I194-L1159 VanDerWaalsContact CG2-O 3.23Å; I194-L1159 WeakPolarHBondContact CG2-O 3.45Å; C197-L1159 HydrophobicContact CB-CD1 4.32Å; K198-L1159 HydrophobicContact CB-CB 4.22Å; K198-L1159 HydrophobicContact CB-CD1 4.2Å; K198-L1159 HydrophobicContact CG-CB 4.47Å; A1155-L1159 WeakPolarHBondContact O-CB 3.36Å; A1155-L1159 VanDerWaalsContact O-CG 3.25Å; A1155-L1159 WeakPolarHBondContact O-CG 3.47Å; A1155-L1159 PolarHBondContact O-N 2.85Å; L1159-Y1163 WeakPolarHBondContact O-CB 3.09Å; L1159-Y1163 PolarHBondContact O-N 3.4Å |
| 1160 | E | 89.3 | Confident | 90 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 28% | 0.28 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 174.7 | 176.9 | 165.5 | 174.7 | 0 | 0 | 112.9 | K198 C1156 S1157 D1158 Y1163 K1164 | K198-E1160 HydrophobicContact CD-CB 4.41Å; K198-E1160 IonicContact NZ-OE2 2.62Å; K198-E1160 PolarHBondContact NZ-OE2 3.43Å; C1156-E1160 PolarHBondContact O-N 2.86Å; C1156-E1160 VanDerWaalsContact O-N 3.07Å; S1157-E1160 PolarHBondContact O-N 3.11Å; D1158-E1160 VanDerWaalsContact C-N 3.25Å; D1158-E1160 PolarHBondContact O-N 3.45Å; E1160-Y1163 PolarHBondContact O-N 3.44Å; E1160-K1164 HydrophobicContact CG-CD 4.08Å; E1160-K1164 WeakPolarHBondContact O-CB 3.44Å; E1160-K1164 WeakPolarHBondContact O-CG 3.44Å; E1160-K1164 PolarHBondContact O-N 3.18Å; E1160-K1164 VanDerWaalsContact OE1-CE 3.32Å; E1160-K1164 WeakPolarHBondContact OE1-CE 3.44Å; E1160-K1164 IonicContact OE1-NZ 3.88Å; E1160-K1164 PolarHBondContact OE1-NZ 3.19Å |
| 1161 | R | 90.2 | Very high | 89.5 | Confident | 161 Ų | 161 | 62.1 Ų | 62.1 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 175.2 | -70.6 | 168.6 | 179.8 | 174.7 | -7.3 | 111.2 | S1157 D1158 K1164 A1165 | S1157-R1161 WeakPolarHBondContact O-CG 3.29Å; S1157-R1161 PolarHBondContact O-N 3.43Å; D1158-R1161 WeakPolarHBondContact O-CB 3.43Å; D1158-R1161 PolarHBondContact O-N 3.44Å; D1158-R1161 VanDerWaalsContact O-N 3.09Å; D1158-R1161 IonicContact OD1-CZ 3.38Å; D1158-R1161 IonicContact OD1-NH1 2.9Å; D1158-R1161 PolarHBondContact OD1-NH1 2.89Å; D1158-R1161 VanDerWaalsContact OD1-NH1 3.08Å; R1161-K1164 PolarHBondContact O-N 3.28Å; R1161-A1165 WeakPolarHBondContact O-CB 3.28Å; R1161-A1165 PolarHBondContact O-N 3.4Å |
| 1162 | Y | 91.3 | Very high | 89 | Confident | 149 Ų | 149 | 61.1 Ų | 61.1 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 176.6 | -65.3 | -44.1 | 0 | 0 | 0 | 112 | D1158 A1165 L1166 | D1158-Y1162 HydrophobicContact CB-CE2 4.1Å; D1158-Y1162 WeakPolarHBondContact O-CD2 3.48Å; D1158-Y1162 PolarHBondContact O-N 3.27Å; Y1162-A1165 PolarHBondContact O-N 3.39Å; Y1162-L1166 WeakPolarHBondContact O-CB 3.2Å; Y1162-L1166 PolarHBondContact O-N 3.49Å |
| 1163 | Y | 90.2 | Very high | 88.7 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -52.3 | 174 | -170.7 | -76.1 | 0 | 0 | 0 | 111.1 | L191 I194 R195 L1159 E1160 A1165 L1166 D1167 V1215 | L191-Y1163 HydrophobicContact CB-CD2 4.24Å; L191-Y1163 HydrophobicContact CB-CE2 3.72Å; L191-Y1163 HydrophobicContact CD2-CD1 4.11Å; L191-Y1163 HydrophobicContact CD2-CD2 3.68Å; L191-Y1163 HydrophobicContact CD2-CE1 4.18Å; L191-Y1163 HydrophobicContact CD2-CE2 3.82Å; L191-Y1163 HydrophobicContact CD2-CG 3.83Å; L191-Y1163 WeakPolarHBondContact CD2-O 3.29Å; L191-Y1163 HydrophobicContact CG-CE2 4.31Å; L191-Y1163 WeakPolarHBondContact O-CD2 3.21Å; L191-Y1163 VanDerWaalsContact O-CE2 3.27Å; L191-Y1163 WeakPolarHBondContact O-CE2 3.3Å; I194-Y1163 HydrophobicContact CB-CD2 4.42Å; I194-Y1163 HydrophobicContact CG2-CD2 4.22Å; R195-Y1163 HydrophobicContact CB-CD2 4.22Å; R195-Y1163 HydrophobicContact CB-CE2 3.88Å; L1159-Y1163 WeakPolarHBondContact O-CB 3.09Å; L1159-Y1163 PolarHBondContact O-N 3.4Å; E1160-Y1163 PolarHBondContact O-N 3.44Å; Y1163-A1165 PolarHBondContact O-N 3.43Å; Y1163-L1166 PolarHBondContact O-N 2.69Å; Y1163-D1167 HydrophobicContact CD1-CB 4.42Å; Y1163-D1167 HydrophobicContact CE1-CB 4.28Å; Y1163-D1167 VanDerWaalsContact O-CB 3.25Å; Y1163-D1167 WeakPolarHBondContact O-CB 3.5Å; Y1163-D1167 PolarHBondContact O-N 2.62Å; Y1163-V1215 HydrophobicContact CD1-CG1 4Å; Y1163-V1215 HydrophobicContact CE1-CG1 3.51Å; Y1163-V1215 WeakPolarHBondContact CE1-O 3.16Å; Y1163-V1215 VanDerWaalsContact CZ-O 3.29Å; Y1163-V1215 PolarHBondContact OH-O 2.83Å |
| 1164 | K | 86.8 | Confident | 88.2 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | -178.8 | -75.7 | 171.4 | 171.5 | 170.7 | 0 | 112.5 | E1160 R1161 R1168 | E1160-K1164 HydrophobicContact CG-CD 4.08Å; E1160-K1164 WeakPolarHBondContact O-CB 3.44Å; E1160-K1164 WeakPolarHBondContact O-CG 3.44Å; E1160-K1164 PolarHBondContact O-N 3.18Å; E1160-K1164 VanDerWaalsContact OE1-CE 3.32Å; E1160-K1164 WeakPolarHBondContact OE1-CE 3.44Å; E1160-K1164 IonicContact OE1-NZ 3.88Å; E1160-K1164 PolarHBondContact OE1-NZ 3.19Å; R1161-K1164 PolarHBondContact O-N 3.28Å; K1164-R1168 WeakPolarHBondContact O-CB 3.24Å; K1164-R1168 WeakPolarHBondContact O-CG 3.03Å; K1164-R1168 PolarHBondContact O-N 3.38Å |
| 1165 | A | 89.4 | Confident | 87.8 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -46.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1161 Y1162 Y1163 R1168 A1169 | R1161-A1165 WeakPolarHBondContact O-CB 3.28Å; R1161-A1165 PolarHBondContact O-N 3.4Å; Y1162-A1165 PolarHBondContact O-N 3.39Å; Y1163-A1165 PolarHBondContact O-N 3.43Å; A1165-R1168 PolarHBondContact O-N 3.43Å; A1165-A1169 WeakPolarHBondContact O-CB 3.46Å; A1165-A1169 PolarHBondContact O-N 3.31Å |
| 1166 | L | 88.4 | Confident | 87.6 | Confident | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 178.3 | -179.2 | 60.7 | 0 | 0 | 0 | 111.8 | Y187 A190 L191 I194 Y1162 Y1163 R1168 A1169 I1170 | Y187-L1166 HydrophobicContact CD1-CD1 3.9Å; Y187-L1166 HydrophobicContact CG-CD1 4.41Å; A190-L1166 HydrophobicContact CB-CD2 4.11Å; L191-L1166 HydrophobicContact CD2-CB 3.83Å; L191-L1166 HydrophobicContact CD2-CD2 3.82Å; L191-L1166 HydrophobicContact CD2-CG 3.88Å; L191-L1166 HydrophobicContact CG-CD2 3.86Å; L191-L1166 HydrophobicContact CG-CG 4.06Å; I194-L1166 HydrophobicContact CD1-CD2 4.47Å; Y1162-L1166 WeakPolarHBondContact O-CB 3.2Å; Y1162-L1166 PolarHBondContact O-N 3.49Å; Y1163-L1166 PolarHBondContact O-N 2.69Å; L1166-R1168 PolarHBondContact O-N 3.2Å; L1166-A1169 PolarHBondContact O-N 2.74Å; L1166-I1170 HydrophobicContact CD1-CD1 4.43Å; L1166-I1170 HydrophobicContact CD1-CG1 4.41Å; L1166-I1170 HydrophobicContact CG-CD1 4.21Å; L1166-I1170 VanDerWaalsContact O-CG1 3.31Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.4Å; L1166-I1170 PolarHBondContact O-N 3.37Å |
| 1167 | D | 83.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.6 | -51.1 | 174.2 | -174.1 | 57.3 | 0 | 0 | 0 | 110.4 | L191 Y1163 A1169 I1170 M1171 V1215 R1220 | L191-D1167 HydrophobicContact CD1-CB 4.28Å; L191-D1167 HydrophobicContact CD2-CB 4.4Å; Y1163-D1167 HydrophobicContact CD1-CB 4.42Å; Y1163-D1167 HydrophobicContact CE1-CB 4.28Å; Y1163-D1167 VanDerWaalsContact O-CB 3.25Å; Y1163-D1167 WeakPolarHBondContact O-CB 3.5Å; Y1163-D1167 PolarHBondContact O-N 2.62Å; D1167-A1169 VanDerWaalsContact C-N 3.32Å; D1167-A1169 PolarHBondContact O-N 3.45Å; D1167-I1170 PolarHBondContact O-N 3.5Å; D1167-M1171 VanDerWaalsContact O-CG 3.26Å; D1167-M1171 WeakPolarHBondContact O-CG 2.9Å; D1167-M1171 PolarHBondContact O-N 3.29Å; D1167-V1215 WeakPolarHBondContact OD2-CG1 3.34Å; D1167-R1220 IonicContact OD1-NE 3.47Å; D1167-R1220 IonicContact OD2-CZ 2.79Å; D1167-R1220 VanDerWaalsContact OD2-CZ 3.27Å; D1167-R1220 IonicContact OD2-NE 3.04Å; D1167-R1220 PolarHBondContact OD2-NE 3.01Å; D1167-R1220 IonicContact OD2-NH2 3.19Å; D1167-R1220 PolarHBondContact OD2-NH2 2.86Å |
| 1168 | R | 85.8 | Confident | 87.3 | Confident | 178 Ų | 178 | 62.7 Ų | 62.7 | 67% | 0.672 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.8 | -39.8 | 176.4 | -75 | 174.3 | -174.3 | 177 | 1.2 | 113.1 | K1164 A1165 L1166 M1171 S1172 | K1164-R1168 WeakPolarHBondContact O-CB 3.24Å; K1164-R1168 WeakPolarHBondContact O-CG 3.03Å; K1164-R1168 PolarHBondContact O-N 3.38Å; A1165-R1168 PolarHBondContact O-N 3.43Å; L1166-R1168 PolarHBondContact O-N 3.2Å; R1168-M1171 PolarHBondContact O-N 3.21Å; R1168-S1172 VanDerWaalsContact O-CB 3.28Å; R1168-S1172 WeakPolarHBondContact O-CB 3.5Å; R1168-S1172 PolarHBondContact O-N 3.4Å |
| 1169 | A | 86.4 | Confident | 87.1 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1165 L1166 D1167 S1172 Y1173 | A1165-A1169 WeakPolarHBondContact O-CB 3.46Å; A1165-A1169 PolarHBondContact O-N 3.31Å; L1166-A1169 PolarHBondContact O-N 2.74Å; D1167-A1169 VanDerWaalsContact C-N 3.32Å; D1167-A1169 PolarHBondContact O-N 3.45Å; A1169-S1172 PolarHBondContact O-N 2.93Å; A1169-Y1173 VanDerWaalsContact O-CB 3.32Å; A1169-Y1173 WeakPolarHBondContact O-CB 3.28Å; A1169-Y1173 PolarHBondContact O-N 3.31Å |
| 1170 | I | 82.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 174.6 | -63.7 | 169.2 | 0 | 0 | 0 | 110.5 | V188 L191 L1166 D1167 Y1173 H1174 | V188-I1170 HydrophobicContact CG2-CD1 4.49Å; L191-I1170 HydrophobicContact CD1-CD1 3.6Å; L191-I1170 HydrophobicContact CG-CD1 4.33Å; L1166-I1170 HydrophobicContact CD1-CD1 4.43Å; L1166-I1170 HydrophobicContact CD1-CG1 4.41Å; L1166-I1170 HydrophobicContact CG-CD1 4.21Å; L1166-I1170 VanDerWaalsContact O-CG1 3.31Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.4Å; L1166-I1170 PolarHBondContact O-N 3.37Å; D1167-I1170 PolarHBondContact O-N 3.5Å; I1170-Y1173 PolarHBondContact O-N 3.14Å; I1170-H1174 WeakPolarHBondContact O-CB 3.27Å; I1170-H1174 PolarHBondContact O-N 3.08Å |
| 1171 | M | 81.1 | Confident | 87 | Confident | 37 Ų | 37 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 178.5 | -65 | -170.2 | 88 | 0 | 0 | 111.8 | D1167 R1168 H1174 A1175 E1207 R1220 Y1222 | D1167-M1171 VanDerWaalsContact O-CG 3.26Å; D1167-M1171 WeakPolarHBondContact O-CG 2.9Å; D1167-M1171 PolarHBondContact O-N 3.29Å; R1168-M1171 PolarHBondContact O-N 3.21Å; M1171-H1174 PolarHBondContact O-N 3.28Å; M1171-A1175 WeakPolarHBondContact O-CB 3.34Å; M1171-A1175 PolarHBondContact O-N 3.06Å; M1171-E1207 WeakPolarHBondContact CE-OE1 3.36Å; M1171-R1220 VanDerWaalsContact CE-NH1 3.3Å; M1171-R1220 VanDerWaalsContact SD-CZ 3.54Å; M1171-Y1222 WeakPolarHBondContact CE-OH 3.35Å; M1171-Y1222 WeakPolarHBondContact CG-OH 3.33Å |
| 1172 | S | 84.9 | Confident | 87.1 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.9 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | R1168 A1169 H1174 A1175 V1176 | R1168-S1172 VanDerWaalsContact O-CB 3.28Å; R1168-S1172 WeakPolarHBondContact O-CB 3.5Å; R1168-S1172 PolarHBondContact O-N 3.4Å; A1169-S1172 PolarHBondContact O-N 2.93Å; S1172-H1174 PolarHBondContact O-N 3.42Å; S1172-A1175 PolarHBondContact O-N 3.33Å; S1172-V1176 WeakPolarHBondContact O-CB 3.41Å; S1172-V1176 VanDerWaalsContact O-CG2 3.26Å; S1172-V1176 WeakPolarHBondContact O-CG2 3.36Å; S1172-V1176 PolarHBondContact O-N 2.75Å |
| 1173 | Y | 85.1 | Confident | 87.2 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.2 | 178.5 | -98.9 | 0 | 0 | 0 | 111.9 | F182 A1169 I1170 K1177 | F182-Y1173 HydrophobicContact CD1-CE1 4.18Å; A1169-Y1173 VanDerWaalsContact O-CB 3.32Å; A1169-Y1173 WeakPolarHBondContact O-CB 3.28Å; A1169-Y1173 PolarHBondContact O-N 3.31Å; I1170-Y1173 PolarHBondContact O-N 3.14Å; Y1173-K1177 HydrophobicContact CD1-CG 4.4Å; Y1173-K1177 HydrophobicContact CD2-CG 4.3Å; Y1173-K1177 HydrophobicContact CE1-CG 4.08Å; Y1173-K1177 HydrophobicContact CE2-CD 4.44Å; Y1173-K1177 HydrophobicContact CE2-CG 3.99Å; Y1173-K1177 WeakPolarHBondContact O-CB 3.48Å; Y1173-K1177 WeakPolarHBondContact O-CG 3.2Å; Y1173-K1177 PolarHBondContact O-N 3.44Å |
| 1174 | H | 83.7 | Confident | 87.1 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 178.2 | -175.6 | -86 | 0 | 0 | 0 | 111.9 | F182 I1170 M1171 S1172 V1176 K1177 M1178 Y1224 | F182-H1174 AromaticContact CD2-CD2 3.79Å; F182-H1174 AromaticContact CE2-CD2 3.74Å; F182-H1174 AromaticContact CE2-NE2 3.66Å; F182-H1174 AromaticContact CZ-CD2 3.91Å; I1170-H1174 WeakPolarHBondContact O-CB 3.27Å; I1170-H1174 PolarHBondContact O-N 3.08Å; M1171-H1174 PolarHBondContact O-N 3.28Å; S1172-H1174 PolarHBondContact O-N 3.42Å; H1174-V1176 PolarHBondContact O-N 3.33Å; H1174-K1177 PolarHBondContact O-N 3.35Å; H1174-M1178 VanDerWaalsContact CE1-CG 3.47Å; H1174-M1178 WeakPolarHBondContact CE1-CG 3.45Å; H1174-M1178 WeakPolarHBondContact O-CB 3.38Å; H1174-M1178 WeakPolarHBondContact O-CG 3.37Å; H1174-M1178 PolarHBondContact O-N 3.46Å; H1174-Y1224 AromaticContact CE1-CE1 3.83Å; H1174-Y1224 AromaticContact NE2-CE1 3.36Å; H1174-Y1224 WeakPolarHBondContact NE2-CE1 3.36Å; H1174-Y1224 AromaticContact NE2-CZ 3.48Å; H1174-Y1224 PolarHBondContact NE2-OH 2.93Å |
| 1175 | A | 84.3 | Confident | 87.4 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1171 S1172 M1178 A1179 | M1171-A1175 WeakPolarHBondContact O-CB 3.34Å; M1171-A1175 PolarHBondContact O-N 3.06Å; S1172-A1175 PolarHBondContact O-N 3.33Å; A1175-M1178 PolarHBondContact O-N 3.29Å; A1175-A1179 WeakPolarHBondContact O-CB 3.31Å; A1175-A1179 PolarHBondContact O-N 3.27Å |
| 1176 | V | 88 | Confident | 87.5 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | S1172 H1174 M1178 A1179 D1180 | S1172-V1176 WeakPolarHBondContact O-CB 3.41Å; S1172-V1176 VanDerWaalsContact O-CG2 3.26Å; S1172-V1176 WeakPolarHBondContact O-CG2 3.36Å; S1172-V1176 PolarHBondContact O-N 2.75Å; H1174-V1176 PolarHBondContact O-N 3.33Å; V1176-M1178 PolarHBondContact O-N 3.11Å; V1176-A1179 PolarHBondContact O-N 3.2Å; V1176-D1180 PolarHBondContact O-N 3.2Å |
| 1177 | K | 87.5 | Confident | 87.5 | Confident | 39 Ų | 39 | 55 Ų | 55 | 17% | 0.17 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -34 | -178.8 | -69.3 | -69.9 | 174.2 | -170.5 | 0 | 113.2 | F182 Y1173 H1174 L1181 V1280 | F182-K1177 HydrophobicContact CD1-CB 4.49Å; F182-K1177 HydrophobicContact CE1-CB 3.71Å; Y1173-K1177 HydrophobicContact CD1-CG 4.4Å; Y1173-K1177 HydrophobicContact CD2-CG 4.3Å; Y1173-K1177 HydrophobicContact CE1-CG 4.08Å; Y1173-K1177 HydrophobicContact CE2-CD 4.44Å; Y1173-K1177 HydrophobicContact CE2-CG 3.99Å; Y1173-K1177 WeakPolarHBondContact O-CB 3.48Å; Y1173-K1177 WeakPolarHBondContact O-CG 3.2Å; Y1173-K1177 PolarHBondContact O-N 3.44Å; H1174-K1177 PolarHBondContact O-N 3.35Å; K1177-L1181 VanDerWaalsContact O-CB 3.26Å; K1177-L1181 WeakPolarHBondContact O-CB 3.39Å; K1177-L1181 PolarHBondContact O-N 3.38Å; K1177-V1280 HydrophobicContact CB-CG1 4.42Å; K1177-V1280 HydrophobicContact CD-CG1 3.56Å |
| 1178 | M | 87.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.8 | -38 | 173.3 | -66.1 | -82.3 | 64.1 | 0 | 0 | 112.2 | F178 F182 H1174 A1175 V1176 L1181 N1182 Y1224 | F178-M1178 HydrophobicContact CE1-CE 4.43Å; F182-M1178 HydrophobicContact CE2-CE 4.17Å; F182-M1178 HydrophobicContact CE2-SD 4.14Å; F182-M1178 HydrophobicContact CZ-CE 3.5Å; F182-M1178 VanDerWaalsContact CZ-CE 3.5Å; F182-M1178 HydrophobicContact CZ-CG 4.06Å; F182-M1178 HydrophobicContact CZ-SD 3.77Å; H1174-M1178 VanDerWaalsContact CE1-CG 3.47Å; H1174-M1178 WeakPolarHBondContact CE1-CG 3.45Å; H1174-M1178 WeakPolarHBondContact O-CB 3.38Å; H1174-M1178 WeakPolarHBondContact O-CG 3.37Å; H1174-M1178 PolarHBondContact O-N 3.46Å; A1175-M1178 PolarHBondContact O-N 3.29Å; V1176-M1178 PolarHBondContact O-N 3.11Å; M1178-L1181 HydrophobicContact CE-CB 4.09Å; M1178-L1181 HydrophobicContact CE-CD2 3.29Å; M1178-L1181 HydrophobicContact CE-CG 4.3Å; M1178-L1181 PolarHBondContact O-N 3.14Å; M1178-N1182 WeakPolarHBondContact O-CB 3.22Å; M1178-N1182 PolarHBondContact O-N 3.41Å; M1178-N1182 PolarHBondContact O-ND2 3.02Å; M1178-Y1224 HydrophobicContact SD-CD1 4.31Å; M1178-Y1224 HydrophobicContact SD-CE1 3.98Å |
| 1179 | A | 90.1 | Very high | 87.8 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 51% | 0.512 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1175 V1176 N1182 K1183 | A1175-A1179 WeakPolarHBondContact O-CB 3.31Å; A1175-A1179 PolarHBondContact O-N 3.27Å; V1176-A1179 PolarHBondContact O-N 3.2Å; A1179-N1182 PolarHBondContact O-N 2.67Å; A1179-K1183 WeakPolarHBondContact O-CB 3.32Å; A1179-K1183 PolarHBondContact O-N 3.29Å |
| 1180 | D | 88.9 | Confident | 87.9 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 175.3 | -68.3 | -20.1 | 0 | 0 | 0 | 111.1 | V1176 K1183 I1184 V1280 | V1176-D1180 PolarHBondContact O-N 3.2Å; D1180-K1183 WeakPolarHBondContact O-CB 3.47Å; D1180-K1183 PolarHBondContact O-N 3.23Å; D1180-I1184 WeakPolarHBondContact O-CD1 3.45Å; D1180-I1184 WeakPolarHBondContact O-CG1 3.47Å; D1180-I1184 PolarHBondContact O-N 3.22Å; D1180-V1280 HydrophobicContact CB-CG2 4.29Å |
| 1181 | L | 91.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 179.2 | -172.6 | 72.3 | 0 | 0 | 0 | 111.8 | F178 K1177 M1178 K1183 I1184 I1185 I1203 A1276 L1277 V1280 | F178-L1181 HydrophobicContact CE1-CD2 4.32Å; K1177-L1181 VanDerWaalsContact O-CB 3.26Å; K1177-L1181 WeakPolarHBondContact O-CB 3.39Å; K1177-L1181 PolarHBondContact O-N 3.38Å; M1178-L1181 HydrophobicContact CE-CB 4.09Å; M1178-L1181 HydrophobicContact CE-CD2 3.29Å; M1178-L1181 HydrophobicContact CE-CG 4.3Å; M1178-L1181 PolarHBondContact O-N 3.14Å; L1181-K1183 VanDerWaalsContact C-N 3.28Å; L1181-K1183 PolarHBondContact O-N 3.29Å; L1181-I1184 PolarHBondContact O-N 3.19Å; L1181-I1185 HydrophobicContact CD1-CD1 4.41Å; L1181-I1185 HydrophobicContact CD2-CD1 4.16Å; L1181-I1185 HydrophobicContact CG-CD1 3.76Å; L1181-I1185 HydrophobicContact CG-CG1 4.41Å; L1181-I1185 VanDerWaalsContact O-CG1 3.29Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.35Å; L1181-I1185 PolarHBondContact O-N 2.66Å; L1181-I1203 HydrophobicContact CD2-CD1 3.74Å; L1181-A1276 HydrophobicContact CD1-CB 3.54Å; L1181-A1276 WeakPolarHBondContact CD1-O 3.29Å; L1181-A1276 HydrophobicContact CG-CB 4.39Å; L1181-L1277 HydrophobicContact CD1-CB 4.43Å; L1181-L1277 HydrophobicContact CD1-CD2 3.8Å; L1181-L1277 HydrophobicContact CD1-CG 3.94Å; L1181-L1277 HydrophobicContact CD2-CD2 3.85Å; L1181-L1277 HydrophobicContact CD2-CG 4.43Å; L1181-V1280 HydrophobicContact CB-CG2 4.18Å; L1181-V1280 HydrophobicContact CD1-CB 4.45Å; L1181-V1280 HydrophobicContact CD1-CG2 3.95Å |
| 1182 | N | 92.6 | Very high | 88 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -31.4 | -178.5 | -77 | -25.6 | 0 | 0 | 0 | 112.3 | M1178 A1179 R1186 E1202 I1203 | M1178-N1182 WeakPolarHBondContact O-CB 3.22Å; M1178-N1182 PolarHBondContact O-N 3.41Å; M1178-N1182 PolarHBondContact O-ND2 3.02Å; A1179-N1182 PolarHBondContact O-N 2.67Å; N1182-R1186 WeakPolarHBondContact O-CB 3.49Å; N1182-R1186 WeakPolarHBondContact O-CG 3.36Å; N1182-R1186 PolarHBondContact O-N 3.16Å; N1182-E1202 HydrophobicContact CB-CG 4.03Å; N1182-E1202 VanDerWaalsContact CG-CG 3.42Å; N1182-E1202 VanDerWaalsContact ND2-CG 3.34Å; N1182-E1202 WeakPolarHBondContact ND2-CG 3.21Å; N1182-E1202 PolarHBondContact ND2-OE1 3.37Å; N1182-I1203 PolarHBondContact ND2-O 3.5Å; N1182-I1203 PolarHBondContact OD1-N 3.34Å |
| 1183 | K | 92.1 | Very high | 88 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 54% | 0.539 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 172.2 | -177.4 | -176.3 | 174.2 | -170.5 | 0 | 110.8 | A1179 D1180 L1181 R1186 E1187 | A1179-K1183 WeakPolarHBondContact O-CB 3.32Å; A1179-K1183 PolarHBondContact O-N 3.29Å; D1180-K1183 WeakPolarHBondContact O-CB 3.47Å; D1180-K1183 PolarHBondContact O-N 3.23Å; L1181-K1183 VanDerWaalsContact C-N 3.28Å; L1181-K1183 PolarHBondContact O-N 3.29Å; K1183-R1186 PolarHBondContact O-N 2.71Å; K1183-E1187 WeakPolarHBondContact CE-OE1 3.31Å; K1183-E1187 WeakPolarHBondContact CG-OE1 3.39Å; K1183-E1187 WeakPolarHBondContact O-CG 3.44Å; K1183-E1187 PolarHBondContact O-N 3.41Å; K1183-E1187 VanDerWaalsContact O-N 3.12Å |
| 1184 | I | 88.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 179.9 | -63.3 | 159.4 | 0 | 0 | 0 | 110.9 | D1180 L1181 R1186 E1187 L1188 A1276 E1279 V1280 | D1180-I1184 WeakPolarHBondContact O-CD1 3.45Å; D1180-I1184 WeakPolarHBondContact O-CG1 3.47Å; D1180-I1184 PolarHBondContact O-N 3.22Å; L1181-I1184 PolarHBondContact O-N 3.19Å; I1184-R1186 VanDerWaalsContact C-N 3.33Å; I1184-R1186 PolarHBondContact O-N 3.12Å; I1184-E1187 PolarHBondContact O-N 2.81Å; I1184-L1188 HydrophobicContact CG2-CD1 3.74Å; I1184-L1188 HydrophobicContact CG2-CG 4.12Å; I1184-L1188 WeakPolarHBondContact O-CB 3.42Å; I1184-L1188 WeakPolarHBondContact O-CG 3.5Å; I1184-L1188 PolarHBondContact O-N 2.68Å; I1184-A1276 HydrophobicContact CB-CB 4Å; I1184-A1276 HydrophobicContact CG2-CB 3.64Å; I1184-E1279 HydrophobicContact CD1-CB 4.1Å; I1184-E1279 HydrophobicContact CD1-CG 3.72Å; I1184-E1279 VanDerWaalsContact CG2-OE2 3.27Å; I1184-E1279 WeakPolarHBondContact CG2-OE2 3.46Å; I1184-V1280 HydrophobicContact CD1-CG2 3.73Å |
| 1185 | I | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -45.5 | 177.7 | -71.2 | 170.5 | 0 | 0 | 0 | 111.3 | L1181 L1188 W1189 I1201 I1203 I1272 I1273 A1276 | L1181-I1185 HydrophobicContact CD1-CD1 4.41Å; L1181-I1185 HydrophobicContact CD2-CD1 4.16Å; L1181-I1185 HydrophobicContact CG-CD1 3.76Å; L1181-I1185 HydrophobicContact CG-CG1 4.41Å; L1181-I1185 VanDerWaalsContact O-CG1 3.29Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.35Å; L1181-I1185 PolarHBondContact O-N 2.66Å; I1185-L1188 PolarHBondContact O-N 3.23Å; I1185-W1189 VanDerWaalsContact O-CB 3.28Å; I1185-W1189 WeakPolarHBondContact O-CB 3.37Å; I1185-W1189 PolarHBondContact O-N 3.05Å; I1185-I1201 HydrophobicContact CG2-CD1 3.97Å; I1185-I1201 HydrophobicContact CG2-CG1 3.45Å; I1185-I1201 VanDerWaalsContact CG2-CG1 3.45Å; I1185-I1201 WeakPolarHBondContact CG2-O 3.39Å; I1185-I1203 HydrophobicContact CD1-CD1 3.74Å; I1185-I1203 HydrophobicContact CD1-CG1 3.74Å; I1185-I1272 HydrophobicContact CB-CG2 4.46Å; I1185-I1272 HydrophobicContact CG1-CG2 4.5Å; I1185-I1272 HydrophobicContact CG2-CG2 4.17Å; I1185-I1273 HydrophobicContact CD1-CG1 3.91Å; I1185-I1273 HydrophobicContact CG1-CG1 4.42Å; I1185-A1276 HydrophobicContact CD1-CB 4.33Å; I1185-A1276 HydrophobicContact CG1-CB 3.49Å; I1185-A1276 VanDerWaalsContact CG1-CB 3.49Å |
| 1186 | R | 91.9 | Very high | 87.9 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 179 | -74.5 | 175.6 | -173.1 | 167.8 | 2.9 | 112 | N1182 K1183 I1184 R1190 Y1200 E1202 | N1182-R1186 WeakPolarHBondContact O-CB 3.49Å; N1182-R1186 WeakPolarHBondContact O-CG 3.36Å; N1182-R1186 PolarHBondContact O-N 3.16Å; K1183-R1186 PolarHBondContact O-N 2.71Å; I1184-R1186 VanDerWaalsContact C-N 3.33Å; I1184-R1186 PolarHBondContact O-N 3.12Å; R1186-R1190 WeakPolarHBondContact O-CG 3.33Å; R1186-R1190 PolarHBondContact O-N 2.85Å; R1186-Y1200 HydrophobicContact CG-CD2 3.58Å; R1186-Y1200 HydrophobicContact CG-CE2 4.21Å; R1186-Y1200 HydrophobicContact CG-CG 4.03Å; R1186-E1202 IonicContact CZ-OE1 3.36Å; R1186-E1202 IonicContact CZ-OE2 3.21Å; R1186-E1202 IonicContact NE-OE2 3.8Å; R1186-E1202 IonicContact NH2-OE1 2.9Å; R1186-E1202 PolarHBondContact NH2-OE1 2.96Å; R1186-E1202 IonicContact NH2-OE2 2.67Å; R1186-E1202 PolarHBondContact NH2-OE2 3.38Å |
| 1187 | E | 87.7 | Confident | 87.9 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 178.3 | -72 | 171.7 | -170.4 | 0 | 0 | 111.1 | K1183 I1184 S1191 | K1183-E1187 WeakPolarHBondContact CE-OE1 3.31Å; K1183-E1187 WeakPolarHBondContact CG-OE1 3.39Å; K1183-E1187 WeakPolarHBondContact O-CG 3.44Å; K1183-E1187 PolarHBondContact O-N 3.41Å; K1183-E1187 VanDerWaalsContact O-N 3.12Å; I1184-E1187 PolarHBondContact O-N 2.81Å; E1187-S1191 PolarHBondContact O-N 2.84Å |
| 1188 | L | 86.5 | Confident | 88 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 178.8 | -71.1 | 178.9 | 0 | 0 | 0 | 112.3 | I1184 I1185 R1190 S1191 T1192 I1272 L1275 I1312 | I1184-L1188 HydrophobicContact CG2-CD1 3.74Å; I1184-L1188 HydrophobicContact CG2-CG 4.12Å; I1184-L1188 WeakPolarHBondContact O-CB 3.42Å; I1184-L1188 WeakPolarHBondContact O-CG 3.5Å; I1184-L1188 PolarHBondContact O-N 2.68Å; I1185-L1188 PolarHBondContact O-N 3.23Å; L1188-R1190 PolarHBondContact O-N 2.68Å; L1188-S1191 PolarHBondContact O-N 3.13Å; L1188-S1191 VanDerWaalsContact O-N 3.16Å; L1188-T1192 PolarHBondContact O-N 2.91Å; L1188-T1192 PolarHBondContact O-OG1 2.88Å; L1188-I1272 HydrophobicContact CB-CG1 4.36Å; L1188-I1272 HydrophobicContact CB-CG2 3.7Å; L1188-I1272 HydrophobicContact CD1-CG2 4.25Å; L1188-L1275 HydrophobicContact CD1-CB 3.81Å; L1188-I1312 HydrophobicContact CD2-CD1 3.9Å; L1188-I1312 HydrophobicContact CD2-CG1 4.36Å |
| 1189 | W | 90.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 179.9 | -175 | -84.4 | 0 | 0 | 0 | 112.5 | I1185 S1191 T1192 Y1193 I1198 Y1200 I1201 M1257 L1268 A1269 I1272 | I1185-W1189 VanDerWaalsContact O-CB 3.28Å; I1185-W1189 WeakPolarHBondContact O-CB 3.37Å; I1185-W1189 PolarHBondContact O-N 3.05Å; W1189-S1191 PolarHBondContact O-N 2.87Å; W1189-T1192 PolarHBondContact O-N 2.89Å; W1189-Y1193 AromaticContact CE2-CD1 3.69Å; W1189-Y1193 AromaticContact CE2-CG 3.75Å; W1189-Y1193 HydrophobicContact CH2-CD1 4.48Å; W1189-Y1193 HydrophobicContact CH2-CD2 4.37Å; W1189-Y1193 HydrophobicContact CH2-CG 4.2Å; W1189-Y1193 AromaticContact CZ2-CD1 3.48Å; W1189-Y1193 HydrophobicContact CZ2-CD1 3.48Å; W1189-Y1193 VanDerWaalsContact CZ2-CD1 3.48Å; W1189-Y1193 HydrophobicContact CZ2-CD2 4.1Å; W1189-Y1193 AromaticContact CZ2-CE1 3.95Å; W1189-Y1193 HydrophobicContact CZ2-CE1 3.95Å; W1189-Y1193 AromaticContact CZ2-CG 3.54Å; W1189-Y1193 HydrophobicContact CZ2-CG 3.54Å; W1189-Y1193 AromaticContact NE1-CD1 3.56Å; W1189-Y1193 AromaticContact NE1-CG 3.93Å; W1189-Y1193 WeakPolarHBondContact O-CB 3.35Å; W1189-Y1193 PolarHBondContact O-N 3.05Å; W1189-I1198 HydrophobicContact CZ2-CB 4.01Å; W1189-I1198 HydrophobicContact CZ2-CD1 4.06Å; W1189-I1198 HydrophobicContact CZ2-CG2 3.82Å; W1189-I1198 PolarHBondContact NE1-O 3.45Å; W1189-Y1200 VanDerWaalsContact CD1-CA 3.47Å; W1189-I1201 HydrophobicContact CB-CG1 4.32Å; W1189-I1201 HydrophobicContact CD2-CB 4.42Å; W1189-I1201 HydrophobicContact CD2-CD1 4.19Å; W1189-I1201 HydrophobicContact CD2-CG1 3.91Å; W1189-I1201 HydrophobicContact CD2-CG2 3.78Å; W1189-I1201 HydrophobicContact CE3-CB 4.44Å; W1189-I1201 HydrophobicContact CE3-CD1 3.43Å; W1189-I1201 VanDerWaalsContact CE3-CD1 3.43Å; W1189-I1201 HydrophobicContact CE3-CG1 3.68Å; W1189-I1201 HydrophobicContact CE3-CG2 3.91Å; W1189-I1201 HydrophobicContact CG-CG1 4.2Å; W1189-I1201 HydrophobicContact CG-CG2 4.43Å; W1189-I1201 HydrophobicContact CH2-CG2 4.08Å; W1189-I1201 HydrophobicContact CZ2-CG2 3.92Å; W1189-I1201 HydrophobicContact CZ3-CD1 3.8Å; W1189-I1201 HydrophobicContact CZ3-CG1 4.37Å; W1189-I1201 HydrophobicContact CZ3-CG2 4.08Å; W1189-M1257 HydrophobicContact CH2-CE 4.39Å; W1189-L1268 HydrophobicContact CZ3-CB 4.49Å; W1189-L1268 HydrophobicContact CZ3-CD2 4.33Å; W1189-L1268 HydrophobicContact CZ3-CG 4.3Å; W1189-A1269 HydrophobicContact CH2-CB 4.35Å; W1189-A1269 HydrophobicContact CZ3-CB 3.72Å; W1189-I1272 HydrophobicContact CB-CD1 4.27Å; W1189-I1272 HydrophobicContact CD2-CD1 4.29Å; W1189-I1272 HydrophobicContact CE3-CD1 3.48Å; W1189-I1272 VanDerWaalsContact CE3-CD1 3.48Å; W1189-I1272 HydrophobicContact CZ3-CD1 4.13Å |
| 1190 | R | 88.3 | Confident | 88.2 | Confident | 160 Ų | 160 | 54 Ų | 54 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.4 | -30.9 | 178.4 | -73.5 | 175.8 | 176.4 | -179.4 | -0.3 | 112.8 | R1186 L1188 D1199 | R1186-R1190 WeakPolarHBondContact O-CG 3.33Å; R1186-R1190 PolarHBondContact O-N 2.85Å; L1188-R1190 PolarHBondContact O-N 2.68Å; R1190-D1199 WeakPolarHBondContact CG-O 3.45Å |
| 1191 | S | 82.2 | Confident | 88.5 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.8 | -39.7 | 177.6 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | E1187 L1188 W1189 R1194 | E1187-S1191 PolarHBondContact O-N 2.84Å; L1188-S1191 PolarHBondContact O-N 3.13Å; L1188-S1191 VanDerWaalsContact O-N 3.16Å; W1189-S1191 PolarHBondContact O-N 2.87Å; S1191-R1194 PolarHBondContact O-NH1 2.87Å; S1191-R1194 PolarHBondContact O-NH2 3.31Å |
| 1192 | T | 82.8 | Confident | 88.5 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -99.1 | -41.5 | -168.3 | -45.9 | 0 | 0 | 0 | 0 | 114.8 | L1188 W1189 R1194 L1268 S1304 L1305 A1308 | L1188-T1192 PolarHBondContact O-N 2.91Å; L1188-T1192 PolarHBondContact O-OG1 2.88Å; W1189-T1192 PolarHBondContact O-N 2.89Å; T1192-R1194 PolarHBondContact O-N 2.78Å; T1192-L1268 HydrophobicContact CG2-CD1 3.79Å; T1192-S1304 WeakPolarHBondContact O-CB 3.31Å; T1192-S1304 PolarHBondContact O-OG 3.44Å; T1192-L1305 HydrophobicContact CG2-CB 4.12Å; T1192-L1305 HydrophobicContact CG2-CD1 3.97Å; T1192-A1308 HydrophobicContact CG2-CB 3.97Å; T1192-A1308 WeakPolarHBondContact OG1-CB 3.41Å |
| 1193 | Y | 86.5 | Confident | 88.5 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | trans | -77.4 | 128 | -177.2 | -171.7 | -122.8 | 0 | 0 | 0 | 110.8 | W1189 G1195 D1197 I1198 Q1265 L1268 | W1189-Y1193 AromaticContact CE2-CD1 3.69Å; W1189-Y1193 AromaticContact CE2-CG 3.75Å; W1189-Y1193 HydrophobicContact CH2-CD1 4.48Å; W1189-Y1193 HydrophobicContact CH2-CD2 4.37Å; W1189-Y1193 HydrophobicContact CH2-CG 4.2Å; W1189-Y1193 AromaticContact CZ2-CD1 3.48Å; W1189-Y1193 HydrophobicContact CZ2-CD1 3.48Å; W1189-Y1193 VanDerWaalsContact CZ2-CD1 3.48Å; W1189-Y1193 HydrophobicContact CZ2-CD2 4.1Å; W1189-Y1193 AromaticContact CZ2-CE1 3.95Å; W1189-Y1193 HydrophobicContact CZ2-CE1 3.95Å; W1189-Y1193 AromaticContact CZ2-CG 3.54Å; W1189-Y1193 HydrophobicContact CZ2-CG 3.54Å; W1189-Y1193 AromaticContact NE1-CD1 3.56Å; W1189-Y1193 AromaticContact NE1-CG 3.93Å; W1189-Y1193 WeakPolarHBondContact O-CB 3.35Å; W1189-Y1193 PolarHBondContact O-N 3.05Å; Y1193-G1195 VanDerWaalsContact CE1-CA 3.45Å; Y1193-D1197 VanDerWaalsContact CE1-OD1 3.3Å; Y1193-D1197 WeakPolarHBondContact CE1-OD1 3.4Å; Y1193-D1197 PolarHBondContact OH-OD1 3.07Å; Y1193-I1198 HydrophobicContact CD1-CB 4.41Å; Y1193-I1198 HydrophobicContact CE1-CB 4.09Å; Y1193-Q1265 HydrophobicContact CE2-CG 4.06Å; Y1193-Q1265 PolarHBondContact OH-NE2 2.64Å; Y1193-L1268 HydrophobicContact CD2-CD2 3.53Å; Y1193-L1268 HydrophobicContact CE2-CD2 4.49Å; Y1193-L1268 HydrophobicContact CG-CD2 4.15Å | ||
| 1194 | R | 82.6 | Confident | 88.2 | Confident | 135 Ų | 135 | 46.6 Ų | 46.6 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -99.2 | -4.9 | -179.9 | -66.2 | -69.1 | 179.1 | -112 | -7.2 | 114 | S1191 T1192 N1301 S1304 | S1191-R1194 PolarHBondContact O-NH1 2.87Å; S1191-R1194 PolarHBondContact O-NH2 3.31Å; T1192-R1194 PolarHBondContact O-N 2.78Å; R1194-N1301 PolarHBondContact N-OD1 2.93Å; R1194-S1304 PolarHBondContact NE-OG 2.79Å; R1194-S1304 PolarHBondContact NH2-OG 2.8Å; R1194-S1304 VanDerWaalsContact NH2-OG 3.15Å | ||
| 1195 | G | 82 | Confident | 88 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | trans | -71.5 | 145.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1193 | Y1193-G1195 VanDerWaalsContact CE1-CA 3.45Š| ||
| 1196 | N | 84.6 | Confident | 87.3 | Confident | 143 Ų | 143 | 52 Ų | 52 | 77% | 0.765 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -93 | 4.5 | 179.8 | 65 | -6.6 | 0 | 0 | 0 | 113.5 | K1230 | N1196-K1230 WeakPolarHBondContact O-CE 3.5Å; N1196-K1230 PolarHBondContact O-NZ 3.29Å |
| 1197 | D | 88.7 | Confident | 86.4 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -92 | -20.8 | -176 | 60.9 | -46.4 | 0 | 0 | 0 | 113.8 | Y1193 K1230 Q1265 | Y1193-D1197 VanDerWaalsContact CE1-OD1 3.3Å; Y1193-D1197 WeakPolarHBondContact CE1-OD1 3.4Å; Y1193-D1197 PolarHBondContact OH-OD1 3.07Å; D1197-K1230 WeakPolarHBondContact O-CD 3.29Å; D1197-Q1265 PolarHBondContact OD2-NE2 2.98Å |
| 1198 | I | 90.6 | Very high | 85.3 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | trans | -132.9 | 115.3 | 178.2 | -56.9 | 172.1 | 0 | 0 | 0 | 110.2 | W1189 Y1193 I1201 M1228 M1257 Q1265 | W1189-I1198 HydrophobicContact CZ2-CB 4.01Å; W1189-I1198 HydrophobicContact CZ2-CD1 4.06Å; W1189-I1198 HydrophobicContact CZ2-CG2 3.82Å; W1189-I1198 PolarHBondContact NE1-O 3.45Å; Y1193-I1198 HydrophobicContact CD1-CB 4.41Å; Y1193-I1198 HydrophobicContact CE1-CB 4.09Å; I1198-I1201 HydrophobicContact CG2-CG2 3.82Å; I1198-M1228 HydrophobicContact CD1-CB 4.1Å; I1198-M1228 HydrophobicContact CD1-SD 3.76Å; I1198-M1228 HydrophobicContact CG1-CB 4.12Å; I1198-M1228 HydrophobicContact CG1-SD 4Å; I1198-M1228 HydrophobicContact CG2-CB 3.74Å; I1198-M1257 HydrophobicContact CD1-CE 4.32Å; I1198-Q1265 HydrophobicContact CD1-CG 4.44Å | ||
| 1199 | D | 90 | Very high | 83.9 | Confident | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -76.7 | -41.1 | -178.3 | -62 | -23.1 | 0 | 0 | 0 | 112.1 | R1190 V1229 K1230 T1231 | R1190-D1199 WeakPolarHBondContact CG-O 3.45Å; D1199-V1229 PolarHBondContact N-O 3.31Å; D1199-K1230 WeakPolarHBondContact OD1-CD 3.46Å; D1199-K1230 IonicContact OD1-NZ 2.86Å; D1199-K1230 PolarHBondContact OD1-NZ 3.31Å; D1199-T1231 WeakPolarHBondContact OD2-CB 3.42Å; D1199-T1231 PolarHBondContact OD2-N 3.47Å; D1199-T1231 PolarHBondContact OD2-OG1 3.13Å |
| 1200 | Y | 92.3 | Very high | 82.1 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 163.8 | 172.1 | 65.5 | -88.9 | 0 | 0 | 0 | 110.8 | R1186 W1189 E1202 V1229 E1252 | R1186-Y1200 HydrophobicContact CG-CD2 3.58Å; R1186-Y1200 HydrophobicContact CG-CE2 4.21Å; R1186-Y1200 HydrophobicContact CG-CG 4.03Å; W1189-Y1200 VanDerWaalsContact CD1-CA 3.47Å; Y1200-E1202 HydrophobicContact CE2-CB 4.37Å; Y1200-V1229 HydrophobicContact CD1-CB 4.17Å; Y1200-V1229 HydrophobicContact CD2-CB 4.14Å; Y1200-V1229 HydrophobicContact CD2-CG2 4.05Å; Y1200-V1229 HydrophobicContact CE1-CB 3.78Å; Y1200-V1229 HydrophobicContact CE1-CG1 3.75Å; Y1200-V1229 HydrophobicContact CE1-CG2 4.4Å; Y1200-V1229 HydrophobicContact CE2-CB 3.75Å; Y1200-V1229 HydrophobicContact CE2-CG1 4.3Å; Y1200-V1229 HydrophobicContact CE2-CG2 3.46Å; Y1200-V1229 VanDerWaalsContact CE2-CG2 3.46Å; Y1200-V1229 HydrophobicContact CG-CB 4.36Å; Y1200-V1229 PolarHBondContact O-N 2.74Å; Y1200-E1252 PolarHBondContact OH-OE1 2.99Å; Y1200-E1252 PolarHBondContact OH-OE2 2.97Å; Y1200-E1252 VanDerWaalsContact OH-OE2 3.09Å |
| 1201 | I | 93.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 155 | 172.4 | 66.1 | 168.5 | 0 | 0 | 0 | 110 | I1185 W1189 I1198 V1226 V1227 M1228 M1257 A1269 I1273 | I1185-I1201 HydrophobicContact CG2-CD1 3.97Å; I1185-I1201 HydrophobicContact CG2-CG1 3.45Å; I1185-I1201 VanDerWaalsContact CG2-CG1 3.45Å; I1185-I1201 WeakPolarHBondContact CG2-O 3.39Å; W1189-I1201 HydrophobicContact CB-CG1 4.32Å; W1189-I1201 HydrophobicContact CD2-CB 4.42Å; W1189-I1201 HydrophobicContact CD2-CD1 4.19Å; W1189-I1201 HydrophobicContact CD2-CG1 3.91Å; W1189-I1201 HydrophobicContact CD2-CG2 3.78Å; W1189-I1201 HydrophobicContact CE3-CB 4.44Å; W1189-I1201 HydrophobicContact CE3-CD1 3.43Å; W1189-I1201 VanDerWaalsContact CE3-CD1 3.43Å; W1189-I1201 HydrophobicContact CE3-CG1 3.68Å; W1189-I1201 HydrophobicContact CE3-CG2 3.91Å; W1189-I1201 HydrophobicContact CG-CG1 4.2Å; W1189-I1201 HydrophobicContact CG-CG2 4.43Å; W1189-I1201 HydrophobicContact CH2-CG2 4.08Å; W1189-I1201 HydrophobicContact CZ2-CG2 3.92Å; W1189-I1201 HydrophobicContact CZ3-CD1 3.8Å; W1189-I1201 HydrophobicContact CZ3-CG1 4.37Å; W1189-I1201 HydrophobicContact CZ3-CG2 4.08Å; I1198-I1201 HydrophobicContact CG2-CG2 3.82Å; I1201-V1226 HydrophobicContact CB-CG1 4.49Å; I1201-V1227 CarbonylContact C-O 3.51Å; I1201-V1227 VanDerWaalsContact CA-O 3.27Å; I1201-V1227 WeakPolarHBondContact CA-O 3.29Å; I1201-M1228 HydrophobicContact CG2-CB 4.39Å; I1201-M1257 HydrophobicContact CB-SD 3.98Å; I1201-M1257 HydrophobicContact CG2-CE 4.06Å; I1201-M1257 HydrophobicContact CG2-SD 3.41Å; I1201-M1257 WeakPolarHBondContact CG2-SD 3.45Å; I1201-A1269 HydrophobicContact CD1-CB 3.67Å; I1201-I1273 HydrophobicContact CD1-CD1 4.46Å; I1201-I1273 HydrophobicContact CD1-CG1 4.44Å |
| 1202 | E | 91.8 | Very high | 79.1 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146.8 | -178.4 | -175.5 | 171.8 | -174.3 | 0 | 0 | 110.8 | N1182 R1186 Y1200 V1226 V1227 | N1182-E1202 HydrophobicContact CB-CG 4.03Å; N1182-E1202 VanDerWaalsContact CG-CG 3.42Å; N1182-E1202 VanDerWaalsContact ND2-CG 3.34Å; N1182-E1202 WeakPolarHBondContact ND2-CG 3.21Å; N1182-E1202 PolarHBondContact ND2-OE1 3.37Å; R1186-E1202 IonicContact CZ-OE1 3.36Å; R1186-E1202 IonicContact CZ-OE2 3.21Å; R1186-E1202 IonicContact NE-OE2 3.8Å; R1186-E1202 IonicContact NH2-OE1 2.9Å; R1186-E1202 PolarHBondContact NH2-OE1 2.96Å; R1186-E1202 IonicContact NH2-OE2 2.67Å; R1186-E1202 PolarHBondContact NH2-OE2 3.38Å; Y1200-E1202 HydrophobicContact CE2-CB 4.37Å; E1202-V1226 CarbonylContact O-C 3.5Å; E1202-V1226 WeakPolarHBondContact O-CA 2.74Å; E1202-V1227 HydrophobicContact CB-CG2 4.01Å; E1202-V1227 PolarHBondContact N-O 3.42Å; E1202-V1227 WeakPolarHBondContact O-CG2 3.42Å; E1202-V1227 PolarHBondContact O-N 3.09Å |
| 1203 | I | 92 | Very high | 77.6 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 114.2 | 171.3 | -48.9 | -166.1 | 0 | 0 | 0 | 108.7 | F178 L1181 N1182 I1185 Y1224 V1226 I1273 | F178-I1203 HydrophobicContact CE1-CD1 4.15Å; F178-I1203 HydrophobicContact CE2-CD1 4.46Å; F178-I1203 HydrophobicContact CE2-CG2 4.43Å; F178-I1203 HydrophobicContact CZ-CD1 3.54Å; F178-I1203 HydrophobicContact CZ-CG2 4.21Å; L1181-I1203 HydrophobicContact CD2-CD1 3.74Å; N1182-I1203 PolarHBondContact ND2-O 3.5Å; N1182-I1203 PolarHBondContact OD1-N 3.34Å; I1185-I1203 HydrophobicContact CD1-CD1 3.74Å; I1185-I1203 HydrophobicContact CD1-CG1 3.74Å; I1203-Y1224 HydrophobicContact CG2-CD1 4.46Å; I1203-V1226 HydrophobicContact CG1-CG2 4.48Å; I1203-I1273 HydrophobicContact CD1-CD1 4.26Å; I1203-I1273 HydrophobicContact CD1-CG1 4.21Å; I1203-I1273 HydrophobicContact CD1-CG2 3.91Å |
| 1204 | C | 87.5 | Confident | 76.4 | Confident | 22 Ų | 22 | 58 Ų | 58 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.2 | 173.8 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | Y1224 R1225 V1227 | C1204-Y1224 WeakPolarHBondContact O-CA 3.38Å; C1204-R1225 HydrophobicContact CB-CG 4.04Å; C1204-R1225 PolarHBondContact N-O 2.86Å; C1204-R1225 PolarHBondContact O-N 2.95Å; C1204-V1227 WeakPolarHBondContact SG-CG2 3.48Å |
| 1205 | S | 84.8 | Confident | 75.3 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 109.4 | 169 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | N1223 | S1205-N1223 WeakPolarHBondContact CA-O 3.26Å |
| 1206 | E | 77.7 | Confident | 74.3 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135 | 176.5 | -66.7 | -176.6 | 154.9 | 0 | 0 | 110.9 | Y1222 N1223 R1225 | E1206-Y1222 WeakPolarHBondContact O-CA 3.39Å; E1206-N1223 PolarHBondContact N-O 3.36Å; E1206-N1223 PolarHBondContact O-N 2.67Å; E1206-R1225 IonicContact OE1-CZ 2.66Å; E1206-R1225 IonicContact OE1-NH1 2.71Å; E1206-R1225 PolarHBondContact OE1-NH1 3.1Å; E1206-R1225 IonicContact OE1-NH2 3.77Å; E1206-R1225 PolarHBondContact OE1-NH2 3.21Å; E1206-R1225 IonicContact OE2-CZ 3.34Å; E1206-R1225 IonicContact OE2-NH1 3.5Å; E1206-R1225 PolarHBondContact OE2-NH1 3.26Å |
| 1207 | E | 71.1 | Confident | 73.2 | Confident | 93 Ų | 93 | 54 Ų | 54 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.3 | 174.4 | -69.3 | -176.4 | -154.8 | 0 | 0 | 111.2 | M1171 T1209 R1220 Y1222 | M1171-E1207 WeakPolarHBondContact CE-OE1 3.36Å; E1207-T1209 PolarHBondContact O-N 3.41Å; E1207-R1220 IonicContact OE2-NH1 3.93Å; E1207-Y1222 HydrophobicContact CG-CD1 3.94Å; E1207-Y1222 HydrophobicContact CG-CE1 3.55Å |
| 1208 | D | 65.9 | Low | 71.8 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | trans | -68.9 | 99 | 168.6 | -81.2 | -41.1 | 0 | 0 | 0 | 110.4 | A1210 A1211 T1221 | D1208-A1210 PolarHBondContact O-N 2.88Å; D1208-A1211 PolarHBondContact O-N 2.64Å; D1208-T1221 PolarHBondContact N-O 3.37Å; D1208-T1221 PolarHBondContact OD2-OG1 3.19Å | ||
| 1209 | T | 56.1 | Low | 70.6 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 76% | 0.761 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -54.7 | -26.6 | -174.6 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | E1207 A1211 A1212 | E1207-T1209 PolarHBondContact O-N 3.41Å; T1209-A1211 VanDerWaalsContact C-N 3.28Å; T1209-A1211 PolarHBondContact O-N 2.81Å; T1209-A1212 PolarHBondContact O-N 2.81Å |
| 1210 | A | 53.4 | Low | 69.5 | Low | 85 Ų | 85 | 59.5 Ų | 59.5 | 70% | 0.702 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.3 | -28 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1208 | D1208-A1210 PolarHBondContact O-N 2.88Å |
| 1211 | A | 54.2 | Low | 68.3 | Low | 11 Ų | 11 | 61.2 Ų | 61.2 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -83.8 | -19.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1208 T1209 S1213 N1214 R1220 | D1208-A1211 PolarHBondContact O-N 2.64Å; T1209-A1211 VanDerWaalsContact C-N 3.28Å; T1209-A1211 PolarHBondContact O-N 2.81Å; A1211-S1213 PolarHBondContact O-N 2.67Å; A1211-N1214 PolarHBondContact O-N 3.45Å; A1211-R1220 HydrophobicContact CB-CG 4.47Å |
| 1212 | A | 51.9 | Low | 67.3 | Low | 42 Ų | 42 | 62.5 Ų | 62.5 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.7 | -26.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | T1209 V1215 | T1209-A1212 PolarHBondContact O-N 2.81Å; A1212-V1215 VanDerWaalsContact O-CG2 3.29Å; A1212-V1215 WeakPolarHBondContact O-CG2 3.45Å |
| 1213 | S | 52.6 | Low | 66.7 | Low | 94 Ų | 94 | 63.8 Ų | 63.8 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -20.4 | -179.5 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | A1211 | A1211-S1213 PolarHBondContact O-N 2.67Š|
| 1214 | N | 60.1 | Low | 66.4 | Low | 80 Ų | 80 | 64 Ų | 64 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 51.6 | -172.7 | -84.6 | -37.9 | 0 | 0 | 0 | 111.5 | A1211 C1216 R1217 T1218 | A1211-N1214 PolarHBondContact O-N 3.45Å; N1214-C1216 PolarHBondContact O-N 2.83Å; N1214-R1217 HydrophobicContact CB-CB 4.26Å; N1214-R1217 PolarHBondContact O-N 3.24Å; N1214-T1218 PolarHBondContact O-N 2.88Å; N1214-T1218 PolarHBondContact O-OG1 3.41Å |
| 1215 | V | 60.3 | Low | 66.4 | Low | 24 Ų | 24 | 67.5 Ų | 67.5 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -34.4 | -173.8 | -179.6 | 0 | 0 | 0 | 0 | 113.4 | Y1163 D1167 A1212 R1220 | Y1163-V1215 HydrophobicContact CD1-CG1 4Å; Y1163-V1215 HydrophobicContact CE1-CG1 3.51Å; Y1163-V1215 WeakPolarHBondContact CE1-O 3.16Å; Y1163-V1215 VanDerWaalsContact CZ-O 3.29Å; Y1163-V1215 PolarHBondContact OH-O 2.83Å; D1167-V1215 WeakPolarHBondContact OD2-CG1 3.34Å; A1212-V1215 VanDerWaalsContact O-CG2 3.29Å; A1212-V1215 WeakPolarHBondContact O-CG2 3.45Å; V1215-R1220 VanDerWaalsContact CG2-NH2 3.33Å |
| 1216 | C | 60.8 | Low | 66.7 | Low | 21 Ų | 21 | 65.5 Ų | 65.5 | 14% | 0.142 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.5 | 176.6 | -71.1 | 0 | 0 | 0 | 0 | 115.3 | R195 N1214 | R195-C1216 WeakPolarHBondContact CG-O 3.39Å; N1214-C1216 PolarHBondContact O-N 2.83Å |
| 1217 | R | 61.1 | Low | 67.4 | Low | 177 Ų | 177 | 61.4 Ų | 61.4 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -18.6 | -179.6 | -68.2 | -174.4 | 177.1 | 174.2 | 1.5 | 114.1 | R195 N1214 | R195-R1217 PolarHBondContact NE-O 3.48Å; R195-R1217 PolarHBondContact NH2-O 3.15Å; N1214-R1217 HydrophobicContact CB-CB 4.26Å; N1214-R1217 PolarHBondContact O-N 3.24Å |
| 1218 | T | 59.6 | Low | 68.4 | Low | 57 Ų | 57 | 58.2 Ų | 58.2 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -138.8 | 134.1 | -178.2 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | N1214 | N1214-T1218 PolarHBondContact O-N 2.88Å; N1214-T1218 PolarHBondContact O-OG1 3.41Å |
| 1219 | R | 66 | Low | 69.6 | Low | 124 Ų | 124 | 55 Ų | 55 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | trans | -67.6 | 131.6 | 177.4 | 175 | 172.2 | 168.4 | 179.8 | -6.5 | 109.5 | D192 | D192-R1219 IonicContact OD2-NH1 3.47Š| ||
| 1220 | R | 66.9 | Low | 71.1 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 21% | 0.211 | 27% | 0.273 | C | S | . | . | trans | -72 | 145.5 | 172.2 | -66.3 | -174.8 | -162 | -128.1 | 13.3 | 111 | D1167 M1171 E1207 A1211 V1215 | D1167-R1220 IonicContact OD1-NE 3.47Å; D1167-R1220 IonicContact OD2-CZ 2.79Å; D1167-R1220 VanDerWaalsContact OD2-CZ 3.27Å; D1167-R1220 IonicContact OD2-NE 3.04Å; D1167-R1220 PolarHBondContact OD2-NE 3.01Å; D1167-R1220 IonicContact OD2-NH2 3.19Å; D1167-R1220 PolarHBondContact OD2-NH2 2.86Å; M1171-R1220 VanDerWaalsContact CE-NH1 3.3Å; M1171-R1220 VanDerWaalsContact SD-CZ 3.54Å; E1207-R1220 IonicContact OE2-NH1 3.93Å; A1211-R1220 HydrophobicContact CB-CG 4.47Å; V1215-R1220 VanDerWaalsContact CG2-NH2 3.33Å | ||
| 1221 | T | 67 | Low | 72.4 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 27% | 0.27 | 26% | 0.26 | S | S | . | . | trans | -132.3 | 131.5 | 178.5 | 36 | 0 | 0 | 0 | 0 | 109.9 | K175 D1208 | K175-T1221 VanDerWaalsContact NZ-CB 3.35Å; D1208-T1221 PolarHBondContact N-O 3.37Å; D1208-T1221 PolarHBondContact OD2-OG1 3.19Å | ||
| 1222 | Y | 72.6 | Confident | 73.2 | Confident | 28 Ų | 28 | 54 Ų | 54 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.1 | 170 | -64.6 | -80.9 | 0 | 0 | 0 | 109.9 | K175 M1171 E1206 E1207 | K175-Y1222 WeakPolarHBondContact CD-O 3.47Å; K175-Y1222 WeakPolarHBondContact CE-O 3.27Å; K175-Y1222 PolarHBondContact NZ-O 2.97Å; K175-Y1222 VanDerWaalsContact NZ-O 3.11Å; M1171-Y1222 WeakPolarHBondContact CE-OH 3.35Å; M1171-Y1222 WeakPolarHBondContact CG-OH 3.33Å; E1206-Y1222 WeakPolarHBondContact O-CA 3.39Å; E1207-Y1222 HydrophobicContact CG-CD1 3.94Å; E1207-Y1222 HydrophobicContact CG-CE1 3.55Å |
| 1223 | N | 78.4 | Confident | 73.6 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.8 | 169 | -63.7 | -41.1 | 0 | 0 | 0 | 108.2 | K175 S1205 E1206 | K175-N1223 PolarHBondContact NZ-OD1 2.9Å; S1205-N1223 WeakPolarHBondContact CA-O 3.26Å; E1206-N1223 PolarHBondContact N-O 3.36Å; E1206-N1223 PolarHBondContact O-N 2.67Å |
| 1224 | Y | 85.7 | Confident | 73.4 | Confident | 6 Ų | 6 | 57 Ų | 57 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.8 | -176.2 | -56.5 | -96 | 0 | 0 | 0 | 109.8 | K175 F178 D179 F182 H1174 M1178 I1203 C1204 | K175-Y1224 HydrophobicContact CB-CD2 4.08Å; K175-Y1224 HydrophobicContact CB-CE2 4.46Å; K175-Y1224 HydrophobicContact CG-CD2 4.27Å; K175-Y1224 HydrophobicContact CG-CE2 4.21Å; F178-Y1224 HydrophobicContact CB-CD1 4.2Å; F178-Y1224 HydrophobicContact CB-CD2 3.99Å; F178-Y1224 HydrophobicContact CB-CE1 3.92Å; F178-Y1224 HydrophobicContact CB-CE2 3.69Å; F178-Y1224 HydrophobicContact CB-CG 4.22Å; F178-Y1224 HydrophobicContact CD1-CE1 4.46Å; F178-Y1224 HydrophobicContact CD2-CD1 4.02Å; F178-Y1224 HydrophobicContact CD2-CD2 4.27Å; F178-Y1224 AromaticContact CD2-CG 3.85Å; F178-Y1224 HydrophobicContact CD2-CG 3.85Å; F178-Y1224 AromaticContact CG-CD1 3.99Å; F178-Y1224 HydrophobicContact CG-CD1 3.99Å; F178-Y1224 HydrophobicContact CG-CD2 4.41Å; F178-Y1224 HydrophobicContact CG-CE1 4.08Å; F178-Y1224 HydrophobicContact CG-CE2 4.47Å; F178-Y1224 HydrophobicContact CG-CG 4.15Å; D179-Y1224 PolarHBondContact OD1-OH 2.83Å; F182-Y1224 HydrophobicContact CE2-CE1 4.17Å; H1174-Y1224 AromaticContact CE1-CE1 3.83Å; H1174-Y1224 AromaticContact NE2-CE1 3.36Å; H1174-Y1224 WeakPolarHBondContact NE2-CE1 3.36Å; H1174-Y1224 AromaticContact NE2-CZ 3.48Å; H1174-Y1224 PolarHBondContact NE2-OH 2.93Å; M1178-Y1224 HydrophobicContact SD-CD1 4.31Å; M1178-Y1224 HydrophobicContact SD-CE1 3.98Å; I1203-Y1224 HydrophobicContact CG2-CD1 4.46Å; C1204-Y1224 WeakPolarHBondContact O-CA 3.38Å |
| 1225 | R | 87.7 | Confident | 72.5 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 36% | 0.362 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.2 | 170.3 | 66.4 | 176.9 | -171 | -130.8 | -8.6 | 110.6 | C1204 E1206 V1227 | C1204-R1225 HydrophobicContact CB-CG 4.04Å; C1204-R1225 PolarHBondContact N-O 2.86Å; C1204-R1225 PolarHBondContact O-N 2.95Å; E1206-R1225 IonicContact OE1-CZ 2.66Å; E1206-R1225 IonicContact OE1-NH1 2.71Å; E1206-R1225 PolarHBondContact OE1-NH1 3.1Å; E1206-R1225 IonicContact OE1-NH2 3.77Å; E1206-R1225 PolarHBondContact OE1-NH2 3.21Å; E1206-R1225 IonicContact OE2-CZ 3.34Å; E1206-R1225 IonicContact OE2-NH1 3.5Å; E1206-R1225 PolarHBondContact OE2-NH1 3.26Å; R1225-V1227 HydrophobicContact CG-CG1 4.11Å |
| 1226 | V | 91.4 | Very high | 71.5 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.9 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 108 | P167 L168 I1201 E1202 I1203 M1257 I1273 | P167-V1226 WeakPolarHBondContact O-CG2 3.27Å; L168-V1226 HydrophobicContact CD2-CB 3.7Å; L168-V1226 HydrophobicContact CD2-CG1 4.17Å; L168-V1226 HydrophobicContact CD2-CG2 3.97Å; I1201-V1226 HydrophobicContact CB-CG1 4.49Å; E1202-V1226 CarbonylContact O-C 3.5Å; E1202-V1226 WeakPolarHBondContact O-CA 2.74Å; I1203-V1226 HydrophobicContact CG1-CG2 4.48Å; V1226-M1257 HydrophobicContact CG1-CG 4.29Å; V1226-M1257 HydrophobicContact CG1-SD 3.66Å; V1226-M1257 PolarHBondContact O-N 3.46Å; V1226-I1273 HydrophobicContact CG1-CD1 4.08Å; V1226-I1273 HydrophobicContact CG2-CD1 3.85Å |
| 1227 | V | 91.8 | Very high | 70.2 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.8 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | I1201 E1202 C1204 R1225 V1229 L1255 | I1201-V1227 CarbonylContact C-O 3.51Å; I1201-V1227 VanDerWaalsContact CA-O 3.27Å; I1201-V1227 WeakPolarHBondContact CA-O 3.29Å; E1202-V1227 HydrophobicContact CB-CG2 4.01Å; E1202-V1227 PolarHBondContact N-O 3.42Å; E1202-V1227 WeakPolarHBondContact O-CG2 3.42Å; E1202-V1227 PolarHBondContact O-N 3.09Å; C1204-V1227 WeakPolarHBondContact SG-CG2 3.48Å; R1225-V1227 HydrophobicContact CG-CG1 4.11Å; V1227-V1229 HydrophobicContact CG2-CG2 4.34Å; V1227-L1255 CarbonylContact C-O 3.46Å; V1227-L1255 WeakPolarHBondContact CA-O 3.31Å; V1227-L1255 WeakPolarHBondContact CB-O 3.3Å |
| 1228 | M | 92.5 | Very high | 69.3 | Low | 27 Ų | 27 | 67.6 Ų | 67.6 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.3 | 163.8 | 57.2 | -172.8 | -172 | 0 | 0 | 108.7 | I1198 I1201 L1255 M1257 R1260 | I1198-M1228 HydrophobicContact CD1-CB 4.1Å; I1198-M1228 HydrophobicContact CD1-SD 3.76Å; I1198-M1228 HydrophobicContact CG1-CB 4.12Å; I1198-M1228 HydrophobicContact CG1-SD 4Å; I1198-M1228 HydrophobicContact CG2-CB 3.74Å; I1201-M1228 HydrophobicContact CG2-CB 4.39Å; M1228-L1255 HydrophobicContact CE-CB 3.72Å; M1228-L1255 HydrophobicContact CE-CD1 3.82Å; M1228-L1255 HydrophobicContact CE-CG 4.43Å; M1228-L1255 HydrophobicContact CG-CB 3.96Å; M1228-L1255 WeakPolarHBondContact CG-O 3.39Å; M1228-L1255 PolarHBondContact N-O 2.83Å; M1228-L1255 PolarHBondContact O-N 3.16Å; M1228-M1257 HydrophobicContact CB-CG 3.65Å; M1228-M1257 HydrophobicContact CB-SD 4.22Å; M1228-M1257 HydrophobicContact CG-CG 3.92Å; M1228-M1257 HydrophobicContact SD-CG 4.28Å; M1228-R1260 HydrophobicContact CE-CB 4.08Å |
| 1229 | V | 91 | Very high | 68.4 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.1 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | D1199 Y1200 V1227 E1252 A1253 R1254 | D1199-V1229 PolarHBondContact N-O 3.31Å; Y1200-V1229 HydrophobicContact CD1-CB 4.17Å; Y1200-V1229 HydrophobicContact CD2-CB 4.14Å; Y1200-V1229 HydrophobicContact CD2-CG2 4.05Å; Y1200-V1229 HydrophobicContact CE1-CB 3.78Å; Y1200-V1229 HydrophobicContact CE1-CG1 3.75Å; Y1200-V1229 HydrophobicContact CE1-CG2 4.4Å; Y1200-V1229 HydrophobicContact CE2-CB 3.75Å; Y1200-V1229 HydrophobicContact CE2-CG1 4.3Å; Y1200-V1229 HydrophobicContact CE2-CG2 3.46Å; Y1200-V1229 VanDerWaalsContact CE2-CG2 3.46Å; Y1200-V1229 HydrophobicContact CG-CB 4.36Å; Y1200-V1229 PolarHBondContact O-N 2.74Å; V1227-V1229 HydrophobicContact CG2-CG2 4.34Å; V1229-E1252 HydrophobicContact CG1-CB 3.8Å; V1229-E1252 HydrophobicContact CG1-CG 3.98Å; V1229-A1253 WeakPolarHBondContact CA-O 3.48Å; V1229-R1254 HydrophobicContact CG1-CG 4.36Å; V1229-R1254 HydrophobicContact CG2-CG 4.03Å |
| 1230 | K | 87.9 | Confident | 66.8 | Low | 70 Ų | 70 | 75.1 Ų | 75.1 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.6 | 171.6 | -173.9 | 61.7 | -175.7 | 169.7 | 0 | 110.3 | N1196 D1197 D1199 T1232 A1253 | N1196-K1230 WeakPolarHBondContact O-CE 3.5Å; N1196-K1230 PolarHBondContact O-NZ 3.29Å; D1197-K1230 WeakPolarHBondContact O-CD 3.29Å; D1199-K1230 WeakPolarHBondContact OD1-CD 3.46Å; D1199-K1230 IonicContact OD1-NZ 2.86Å; D1199-K1230 PolarHBondContact OD1-NZ 3.31Å; K1230-T1232 PolarHBondContact O-N 3.31Å; K1230-A1253 PolarHBondContact N-O 3.02Å; K1230-A1253 PolarHBondContact O-N 3.4Å |
| 1231 | T | 81.5 | Confident | 65.2 | Low | 71 Ų | 71 | 78 Ų | 78 | 44% | 0.436 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.1 | 175.4 | -48.7 | 0 | 0 | 0 | 0 | 108.1 | D1199 | D1199-T1231 WeakPolarHBondContact OD2-CB 3.42Å; D1199-T1231 PolarHBondContact OD2-N 3.47Å; D1199-T1231 PolarHBondContact OD2-OG1 3.13Å |
| 1232 | T | 69.6 | Low | 63.6 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | trans | -97.9 | 120.6 | 178.8 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | K1230 G1234 N1251 A1253 | K1230-T1232 PolarHBondContact O-N 3.31Å; T1232-G1234 PolarHBondContact O-N 3.4Å; T1232-G1234 VanDerWaalsContact O-N 3.13Å; T1232-N1251 PolarHBondContact N-O 3.23Å; T1232-N1251 PolarHBondContact OG1-O 3.01Å; T1232-A1253 HydrophobicContact CG2-CB 3.9Å | ||
| 1233 | P | 61.5 | Low | 61.9 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 85% | 0.851 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -72.5 | 102.8 | 169.4 | 27.1 | -29.3 | 0 | 0 | 0 | 109.6 | ||
| 1234 | G | 48.4 | Very low | 59.9 | Low | 70 Ų | 70 | 97.4 Ų | 97.4 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | trans | 72.9 | 99.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | T1232 | T1232-G1234 PolarHBondContact O-N 3.4Å; T1232-G1234 VanDerWaalsContact O-N 3.13Å | ||
| 1235 | S | 40.2 | Very low | 57.3 | Low | 117 Ų | 117 | 101.7 Ų | 101.7 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | trans | -134.6 | 117 | 152.6 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1236 | M | 39.6 | Very low | 54.9 | Low | 173 Ų | 173 | 107 Ų | 107 | 85% | 0.852 | 60% | 0.595 | S | S | * | * | trans | -73.9 | 130.4 | 176.3 | -74.9 | -111.4 | -94.8 | 0 | 0 | 110.6 | ||||
| 1237 | S | 34.6 | Very low | 52.3 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | trans | 63.9 | 127.6 | 152.1 | 74.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1238 | V | 40.4 | Very low | 49.5 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | 155.7 | 109 | 117.3 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1239 | S | 40.8 | Very low | 47.1 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | 73.3 | 96.6 | 140.3 | -54.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1240 | R | 32.7 | Very low | 45.3 | Very low | 237 Ų | 237 | 127 Ų | 127 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | trans | 60.4 | 160.3 | 131.7 | -88 | -175.3 | 176.7 | 178.8 | 1.1 | 119.2 | ||||
| 1241 | P | 34.9 | Very low | 44.2 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | cis | -130 | 174.1 | 8 | 28.3 | -4.6 | 0 | 0 | 0 | 115.6 | S1243 | P1241-S1243 PolarHBondContact O-N 3.46Š| ||
| 1242 | K | 33.3 | Very low | 43.9 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -51.6 | 113.3 | -180 | -61.9 | 171.3 | 176.3 | 177.1 | 0 | 113.2 | ||||
| 1243 | S | 36.3 | Very low | 44.5 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -141.3 | 125.4 | 149.3 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | P1241 S1245 | P1241-S1243 PolarHBondContact O-N 3.46Å; S1243-S1245 PolarHBondContact O-N 3.07Å | ||
| 1244 | K | 35.4 | Very low | 45.7 | Very low | 213 Ų | 213 | 126.6 Ų | 126.6 | 93% | 0.926 | 71% | 0.714 | S | S | * | * | trans | -80.7 | 102.8 | -179.3 | -77.3 | 174.5 | 171.8 | 176.8 | 0 | 109.1 | ||||
| 1245 | S | 31.2 | Very low | 47.6 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | trans | 177.4 | 140.7 | 136.9 | 58.7 | 0 | 0 | 0 | 0 | 111 | S1243 | S1243-S1245 PolarHBondContact O-N 3.07Š| ||
| 1246 | Y | 37.6 | Very low | 50 | Low | 206 Ų | 206 | 123.9 Ų | 123.9 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 77.6 | 95.2 | 173.7 | -65 | -82.5 | 0 | 0 | 0 | 118.8 | ||
| 1247 | T | 37.4 | Very low | 52.4 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 77% | 0.767 | 63% | 0.632 | S | S | * | * | trans | 41.3 | 92.4 | 141.3 | 26.4 | 0 | 0 | 0 | 0 | 117.2 | C1249 | T1247-C1249 PolarHBondContact O-N 3.43Š| ||
| 1248 | S | 33.1 | Very low | 55 | Low | 118 Ų | 118 | 115.7 Ų | 115.7 | 83% | 0.825 | 62% | 0.616 | S | S | * | * | trans | -59.3 | 109.9 | 163.7 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1249 | C | 42.7 | Very low | 57.1 | Low | 94 Ų | 94 | 113.6 Ų | 113.6 | 64% | 0.635 | 62% | 0.62 | S | S | * | * | trans | -123.7 | 104.9 | 149.3 | -79.9 | 0 | 0 | 0 | 0 | 107 | T1247 N1251 | T1247-C1249 PolarHBondContact O-N 3.43Å; C1249-N1251 PolarHBondContact O-N 3.21Å | ||
| 1250 | S | 52.6 | Low | 59.5 | Low | 118 Ų | 118 | 116.1 Ų | 116.1 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 10.8 | -169.4 | 52.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1251 | N | 64.3 | Low | 62.1 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.6 | 10.1 | -170.3 | -66.5 | -0.7 | 0 | 0 | 0 | 114.4 | T1232 C1249 | T1232-N1251 PolarHBondContact N-O 3.23Å; T1232-N1251 PolarHBondContact OG1-O 3.01Å; C1249-N1251 PolarHBondContact O-N 3.21Å |
| 1252 | E | 74.7 | Confident | 64.7 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 29% | 0.294 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.2 | -177 | -70.9 | 173.9 | -172.8 | 0 | 0 | 111.8 | Y1200 V1229 R1254 | Y1200-E1252 PolarHBondContact OH-OE1 2.99Å; Y1200-E1252 PolarHBondContact OH-OE2 2.97Å; Y1200-E1252 VanDerWaalsContact OH-OE2 3.09Å; V1229-E1252 HydrophobicContact CG1-CB 3.8Å; V1229-E1252 HydrophobicContact CG1-CG 3.98Å; E1252-R1254 IonicContact OE2-CZ 2.68Å; E1252-R1254 IonicContact OE2-NE 3.31Å; E1252-R1254 IonicContact OE2-NH2 3.68Å; E1252-R1254 PolarHBondContact OE2-NH2 2.96Å |
| 1253 | A | 82.2 | Confident | 67.2 | Low | 34 Ų | 34 | 96.6 Ų | 96.6 | 28% | 0.281 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V1229 K1230 T1232 | V1229-A1253 WeakPolarHBondContact CA-O 3.48Å; K1230-A1253 PolarHBondContact N-O 3.02Å; K1230-A1253 PolarHBondContact O-N 3.4Å; T1232-A1253 HydrophobicContact CG2-CB 3.9Å |
| 1254 | R | 87.4 | Confident | 69.5 | Low | 130 Ų | 130 | 91.7 Ų | 91.7 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.3 | 179.2 | -57.1 | -171.9 | 176.1 | -176.4 | -2.1 | 110.3 | V1229 E1252 | V1229-R1254 HydrophobicContact CG1-CG 4.36Å; V1229-R1254 HydrophobicContact CG2-CG 4.03Å; E1252-R1254 IonicContact OE2-CZ 2.68Å; E1252-R1254 IonicContact OE2-NE 3.31Å; E1252-R1254 IonicContact OE2-NH2 3.68Å; E1252-R1254 PolarHBondContact OE2-NH2 2.96Å |
| 1255 | L | 88.8 | Confident | 72.1 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139 | -176.6 | -60.5 | 166.2 | 0 | 0 | 0 | 109.4 | V1227 M1228 M1257 R1260 | V1227-L1255 CarbonylContact C-O 3.46Å; V1227-L1255 WeakPolarHBondContact CA-O 3.31Å; V1227-L1255 WeakPolarHBondContact CB-O 3.3Å; M1228-L1255 HydrophobicContact CE-CB 3.72Å; M1228-L1255 HydrophobicContact CE-CD1 3.82Å; M1228-L1255 HydrophobicContact CE-CG 4.43Å; M1228-L1255 HydrophobicContact CG-CB 3.96Å; M1228-L1255 WeakPolarHBondContact CG-O 3.39Å; M1228-L1255 PolarHBondContact N-O 2.83Å; M1228-L1255 PolarHBondContact O-N 3.16Å; L1255-M1257 PolarHBondContact O-N 3.38Å; L1255-R1260 VanDerWaalsContact CD2-NH1 3.35Å |
| 1256 | D | 89.5 | Confident | 74.8 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 129.6 | 171.6 | -168.3 | -15.4 | 0 | 0 | 0 | 109.7 | R1258 R1260 | D1256-R1258 VanDerWaalsContact C-N 3.31Å; D1256-R1258 WeakPolarHBondContact OD1-CB 3.21Å; D1256-R1258 PolarHBondContact OD1-N 3.4Å; D1256-R1260 WeakPolarHBondContact O-CD 3.48Å |
| 1257 | M | 91 | Very high | 77.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | trans | -72.7 | -26.9 | 178 | -71.8 | -168.6 | 76.1 | 0 | 0 | 112.2 | L168 W1189 I1198 I1201 V1226 M1228 L1255 G1259 R1260 C1261 A1269 | L168-M1257 HydrophobicContact CD2-CB 3.75Å; W1189-M1257 HydrophobicContact CH2-CE 4.39Å; I1198-M1257 HydrophobicContact CD1-CE 4.32Å; I1201-M1257 HydrophobicContact CB-SD 3.98Å; I1201-M1257 HydrophobicContact CG2-CE 4.06Å; I1201-M1257 HydrophobicContact CG2-SD 3.41Å; I1201-M1257 WeakPolarHBondContact CG2-SD 3.45Å; V1226-M1257 HydrophobicContact CG1-CG 4.29Å; V1226-M1257 HydrophobicContact CG1-SD 3.66Å; V1226-M1257 PolarHBondContact O-N 3.46Å; M1228-M1257 HydrophobicContact CB-CG 3.65Å; M1228-M1257 HydrophobicContact CB-SD 4.22Å; M1228-M1257 HydrophobicContact CG-CG 3.92Å; M1228-M1257 HydrophobicContact SD-CG 4.28Å; L1255-M1257 PolarHBondContact O-N 3.38Å; M1257-G1259 PolarHBondContact O-N 2.82Å; M1257-G1259 VanDerWaalsContact O-N 3.15Å; M1257-R1260 PolarHBondContact O-N 3.44Å; M1257-C1261 HydrophobicContact CE-CB 3.88Å; M1257-C1261 PolarHBondContact O-N 2.86Å; M1257-C1261 PolarHBondContact O-SG 3.2Å; M1257-A1269 HydrophobicContact CE-CB 3.93Å; M1257-A1269 HydrophobicContact SD-CB 4.33Å | ||
| 1258 | R | 88.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 41% | 0.408 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 120.9 | -175.6 | -174.6 | 179.3 | 175.2 | -150.2 | -4.4 | 110.2 | Q169 E170 D1256 R1260 | Q169-R1258 WeakPolarHBondContact O-CD 3.24Å; E170-R1258 VanDerWaalsContact CA-CZ 3.41Å; E170-R1258 IonicContact OE1-NH2 2.78Å; E170-R1258 PolarHBondContact OE1-NH2 3.08Å; D1256-R1258 VanDerWaalsContact C-N 3.31Å; D1256-R1258 WeakPolarHBondContact OD1-CB 3.21Å; D1256-R1258 PolarHBondContact OD1-N 3.4Å; R1258-R1260 PolarHBondContact O-N 2.88Å |
| 1259 | G | 85.4 | Confident | 82.4 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 85% | 0.845 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 5.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | M1257 | M1257-G1259 PolarHBondContact O-N 2.82Å; M1257-G1259 VanDerWaalsContact O-N 3.15Å |
| 1260 | R | 89.8 | Confident | 84.6 | Confident | 156 Ų | 156 | 56.7 Ų | 56.7 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | -12.7 | -179.5 | -59.4 | -169.6 | -177.3 | 177.3 | -2.3 | 114.6 | M1228 L1255 D1256 M1257 R1258 | M1228-R1260 HydrophobicContact CE-CB 4.08Å; L1255-R1260 VanDerWaalsContact CD2-NH1 3.35Å; D1256-R1260 WeakPolarHBondContact O-CD 3.48Å; M1257-R1260 PolarHBondContact O-N 3.44Å; R1258-R1260 PolarHBondContact O-N 2.88Å |
| 1261 | C | 89 | Confident | 86.2 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -91 | 152.2 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | M1257 Q1265 | M1257-C1261 HydrophobicContact CE-CB 3.88Å; M1257-C1261 PolarHBondContact O-N 2.86Å; M1257-C1261 PolarHBondContact O-SG 3.2Å; C1261-Q1265 VanDerWaalsContact CA-OE1 3.27Å; C1261-Q1265 HydrophobicContact CB-CB 3.91Å |
| 1262 | S | 88.6 | Confident | 87.4 | Confident | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | trans | -69.1 | 165.3 | 171.1 | 78.9 | 0 | 0 | 0 | 0 | 111.6 | G1264 Q1265 K1266 | S1262-G1264 VanDerWaalsContact C-N 3.31Å; S1262-G1264 PolarHBondContact O-N 3.42Å; S1262-Q1265 PolarHBondContact O-N 3.32Å; S1262-Q1265 WeakPolarHBondContact OG-CB 3.24Å; S1262-Q1265 VanDerWaalsContact OG-CG 3.28Å; S1262-Q1265 WeakPolarHBondContact OG-CG 3.48Å; S1262-Q1265 PolarHBondContact OG-N 2.79Å; S1262-Q1265 VanDerWaalsContact OG-N 3.17Å; S1262-K1266 WeakPolarHBondContact O-CB 3.32Å; S1262-K1266 PolarHBondContact O-N 3.38Å | ||
| 1263 | A | 85.3 | Confident | 88.2 | Confident | 58 Ų | 58 | 44 Ų | 44 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1266 V1267 N1296 | A1263-K1266 WeakPolarHBondContact O-CB 3.44Å; A1263-K1266 PolarHBondContact O-N 3.16Å; A1263-V1267 WeakPolarHBondContact O-CG2 3.24Å; A1263-V1267 PolarHBondContact O-N 2.7Å; A1263-V1267 VanDerWaalsContact O-N 3.15Å; A1263-N1296 HydrophobicContact CB-CB 4.04Å |
| 1264 | G | 85.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S1262 K1266 V1267 L1268 N1296 L1297 | S1262-G1264 VanDerWaalsContact C-N 3.31Å; S1262-G1264 PolarHBondContact O-N 3.42Å; G1264-K1266 VanDerWaalsContact C-N 3.27Å; G1264-K1266 PolarHBondContact O-N 3.35Å; G1264-V1267 PolarHBondContact O-N 3.37Å; G1264-L1268 WeakPolarHBondContact O-CB 3.35Å; G1264-L1268 PolarHBondContact O-N 3.11Å; G1264-N1296 WeakPolarHBondContact CA-O 3.28Å; G1264-L1297 WeakPolarHBondContact O-CD2 3.48Å |
| 1265 | Q | 89.7 | Confident | 88.4 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 174.9 | -74.3 | 168.7 | -7.5 | 0 | 0 | 112 | Y1193 D1197 I1198 C1261 S1262 A1269 | Y1193-Q1265 HydrophobicContact CE2-CG 4.06Å; Y1193-Q1265 PolarHBondContact OH-NE2 2.64Å; D1197-Q1265 PolarHBondContact OD2-NE2 2.98Å; I1198-Q1265 HydrophobicContact CD1-CG 4.44Å; C1261-Q1265 VanDerWaalsContact CA-OE1 3.27Å; C1261-Q1265 HydrophobicContact CB-CB 3.91Å; S1262-Q1265 PolarHBondContact O-N 3.32Å; S1262-Q1265 WeakPolarHBondContact OG-CB 3.24Å; S1262-Q1265 VanDerWaalsContact OG-CG 3.28Å; S1262-Q1265 WeakPolarHBondContact OG-CG 3.48Å; S1262-Q1265 PolarHBondContact OG-N 2.79Å; S1262-Q1265 VanDerWaalsContact OG-N 3.17Å; Q1265-A1269 WeakPolarHBondContact O-CB 3.5Å; Q1265-A1269 PolarHBondContact O-N 3.21Å |
| 1266 | K | 88.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.9 | -177.8 | 176.7 | 178.9 | 177.7 | 0 | 111.8 | N165 L168 S1262 A1263 G1264 S1270 | N165-K1266 HydrophobicContact CB-CD 4.47Å; N165-K1266 HydrophobicContact CB-CG 4.31Å; N165-K1266 PolarHBondContact OD1-O 3.47Å; L168-K1266 HydrophobicContact CD1-CB 4.13Å; L168-K1266 HydrophobicContact CD1-CG 3.63Å; S1262-K1266 WeakPolarHBondContact O-CB 3.32Å; S1262-K1266 PolarHBondContact O-N 3.38Å; A1263-K1266 WeakPolarHBondContact O-CB 3.44Å; A1263-K1266 PolarHBondContact O-N 3.16Å; G1264-K1266 VanDerWaalsContact C-N 3.27Å; G1264-K1266 PolarHBondContact O-N 3.35Å; K1266-S1270 WeakPolarHBondContact O-CB 3.28Å; K1266-S1270 PolarHBondContact O-N 3.45Å; K1266-S1270 VanDerWaalsContact O-N 3.09Å; K1266-S1270 PolarHBondContact O-OG 2.94Å |
| 1267 | V | 87.1 | Confident | 88.4 | Confident | 16 Ų | 16 | 31 Ų | 31 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | A1263 G1264 A1269 S1270 L1271 | A1263-V1267 WeakPolarHBondContact O-CG2 3.24Å; A1263-V1267 PolarHBondContact O-N 2.7Å; A1263-V1267 VanDerWaalsContact O-N 3.15Å; G1264-V1267 PolarHBondContact O-N 3.37Å; V1267-A1269 PolarHBondContact O-N 2.82Å; V1267-S1270 PolarHBondContact O-N 3.36Å; V1267-L1271 WeakPolarHBondContact O-CB 3.41Å; V1267-L1271 PolarHBondContact O-N 2.85Å |
| 1268 | L | 88.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | -179.4 | -171.1 | 65.6 | 0 | 0 | 0 | 112.5 | W1189 T1192 Y1193 G1264 S1270 L1271 I1272 L1297 L1305 | W1189-L1268 HydrophobicContact CZ3-CB 4.49Å; W1189-L1268 HydrophobicContact CZ3-CD2 4.33Å; W1189-L1268 HydrophobicContact CZ3-CG 4.3Å; T1192-L1268 HydrophobicContact CG2-CD1 3.79Å; Y1193-L1268 HydrophobicContact CD2-CD2 3.53Å; Y1193-L1268 HydrophobicContact CE2-CD2 4.49Å; Y1193-L1268 HydrophobicContact CG-CD2 4.15Å; G1264-L1268 WeakPolarHBondContact O-CB 3.35Å; G1264-L1268 PolarHBondContact O-N 3.11Å; L1268-S1270 VanDerWaalsContact C-N 3.34Å; L1268-S1270 PolarHBondContact O-N 3.2Å; L1268-L1271 WeakPolarHBondContact O-CB 3.26Å; L1268-L1271 PolarHBondContact O-N 2.99Å; L1268-I1272 HydrophobicContact CD1-CD1 4.31Å; L1268-I1272 HydrophobicContact CG-CD1 3.96Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.14Å; L1268-I1272 PolarHBondContact O-N 3.05Å; L1268-L1297 HydrophobicContact CB-CD2 4.2Å; L1268-L1305 HydrophobicContact CD1-CD1 4.31Å |
| 1269 | A | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L168 W1189 I1201 M1257 Q1265 V1267 L1271 I1272 I1273 | L168-A1269 HydrophobicContact CD1-CB 4.17Å; W1189-A1269 HydrophobicContact CH2-CB 4.35Å; W1189-A1269 HydrophobicContact CZ3-CB 3.72Å; I1201-A1269 HydrophobicContact CD1-CB 3.67Å; M1257-A1269 HydrophobicContact CE-CB 3.93Å; M1257-A1269 HydrophobicContact SD-CB 4.33Å; Q1265-A1269 WeakPolarHBondContact O-CB 3.5Å; Q1265-A1269 PolarHBondContact O-N 3.21Å; V1267-A1269 PolarHBondContact O-N 2.82Å; A1269-L1271 VanDerWaalsContact C-N 3.32Å; A1269-L1271 PolarHBondContact O-N 2.9Å; A1269-I1272 PolarHBondContact O-N 2.87Å; A1269-I1273 WeakPolarHBondContact O-CB 3.4Å; A1269-I1273 WeakPolarHBondContact O-CD1 3.47Å; A1269-I1273 WeakPolarHBondContact O-CG1 3.28Å; A1269-I1273 PolarHBondContact O-N 3Å |
| 1270 | S | 89.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 179 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | S164 N165 K1266 V1267 L1268 R1274 | S164-S1270 VanDerWaalsContact O-CB 3.24Å; S164-S1270 WeakPolarHBondContact O-CB 3.4Å; N165-S1270 WeakPolarHBondContact CA-OG 3.34Å; N165-S1270 PolarHBondContact OD1-OG 3.15Å; K1266-S1270 WeakPolarHBondContact O-CB 3.28Å; K1266-S1270 PolarHBondContact O-N 3.45Å; K1266-S1270 VanDerWaalsContact O-N 3.09Å; K1266-S1270 PolarHBondContact O-OG 2.94Å; V1267-S1270 PolarHBondContact O-N 3.36Å; L1268-S1270 VanDerWaalsContact C-N 3.34Å; L1268-S1270 PolarHBondContact O-N 3.2Å; S1270-R1274 WeakPolarHBondContact O-CB 3.31Å; S1270-R1274 VanDerWaalsContact O-CG 3.26Å; S1270-R1274 WeakPolarHBondContact O-CG 3.27Å; S1270-R1274 PolarHBondContact O-N 2.81Å |
| 1271 | L | 86.3 | Confident | 87.5 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 175 | -173.1 | 66.2 | 0 | 0 | 0 | 112.3 | V1267 L1268 A1269 R1274 L1275 L1290 P1293 L1305 | V1267-L1271 WeakPolarHBondContact O-CB 3.41Å; V1267-L1271 PolarHBondContact O-N 2.85Å; L1268-L1271 WeakPolarHBondContact O-CB 3.26Å; L1268-L1271 PolarHBondContact O-N 2.99Å; A1269-L1271 VanDerWaalsContact C-N 3.32Å; A1269-L1271 PolarHBondContact O-N 2.9Å; L1271-R1274 PolarHBondContact O-N 3.13Å; L1271-L1275 HydrophobicContact CG-CD1 4.4Å; L1271-L1275 WeakPolarHBondContact O-CG 3.5Å; L1271-L1275 PolarHBondContact O-N 3.02Å; L1271-L1290 HydrophobicContact CD1-CD1 4.08Å; L1271-L1290 HydrophobicContact CD1-CD2 3.38Å; L1271-L1290 HydrophobicContact CD1-CG 4.21Å; L1271-P1293 HydrophobicContact CD2-CB 4.17Å; L1271-L1305 HydrophobicContact CD2-CD1 3.51Å; L1271-L1305 HydrophobicContact CD2-CD2 3.62Å; L1271-L1305 HydrophobicContact CD2-CG 4.21Å |
| 1272 | I | 89.7 | Confident | 87 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 177.8 | -73.4 | 164.2 | 0 | 0 | 0 | 111.2 | I1185 L1188 W1189 L1268 A1269 R1274 L1275 A1276 | I1185-I1272 HydrophobicContact CB-CG2 4.46Å; I1185-I1272 HydrophobicContact CG1-CG2 4.5Å; I1185-I1272 HydrophobicContact CG2-CG2 4.17Å; L1188-I1272 HydrophobicContact CB-CG1 4.36Å; L1188-I1272 HydrophobicContact CB-CG2 3.7Å; L1188-I1272 HydrophobicContact CD1-CG2 4.25Å; W1189-I1272 HydrophobicContact CB-CD1 4.27Å; W1189-I1272 HydrophobicContact CD2-CD1 4.29Å; W1189-I1272 HydrophobicContact CE3-CD1 3.48Å; W1189-I1272 VanDerWaalsContact CE3-CD1 3.48Å; W1189-I1272 HydrophobicContact CZ3-CD1 4.13Å; L1268-I1272 HydrophobicContact CD1-CD1 4.31Å; L1268-I1272 HydrophobicContact CG-CD1 3.96Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.14Å; L1268-I1272 PolarHBondContact O-N 3.05Å; A1269-I1272 PolarHBondContact O-N 2.87Å; I1272-R1274 VanDerWaalsContact C-N 3.3Å; I1272-R1274 PolarHBondContact O-N 2.85Å; I1272-L1275 WeakPolarHBondContact O-CB 3.31Å; I1272-L1275 PolarHBondContact O-N 2.91Å; I1272-A1276 WeakPolarHBondContact O-CB 3.06Å; I1272-A1276 PolarHBondContact O-N 3.12Å |
| 1273 | I | 91.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.2 | -70.1 | 166.6 | 0 | 0 | 0 | 110.3 | P167 I1185 I1201 I1203 V1226 A1269 A1276 L1277 | P167-I1273 HydrophobicContact CB-CD1 3.76Å; P167-I1273 HydrophobicContact CB-CG2 4.09Å; P167-I1273 HydrophobicContact CG-CB 4.31Å; P167-I1273 HydrophobicContact CG-CD1 4.41Å; P167-I1273 HydrophobicContact CG-CG2 3.89Å; I1185-I1273 HydrophobicContact CD1-CG1 3.91Å; I1185-I1273 HydrophobicContact CG1-CG1 4.42Å; I1201-I1273 HydrophobicContact CD1-CD1 4.46Å; I1201-I1273 HydrophobicContact CD1-CG1 4.44Å; I1203-I1273 HydrophobicContact CD1-CD1 4.26Å; I1203-I1273 HydrophobicContact CD1-CG1 4.21Å; I1203-I1273 HydrophobicContact CD1-CG2 3.91Å; V1226-I1273 HydrophobicContact CG1-CD1 4.08Å; V1226-I1273 HydrophobicContact CG2-CD1 3.85Å; A1269-I1273 WeakPolarHBondContact O-CB 3.4Å; A1269-I1273 WeakPolarHBondContact O-CD1 3.47Å; A1269-I1273 WeakPolarHBondContact O-CG1 3.28Å; A1269-I1273 PolarHBondContact O-N 3Å; I1273-A1276 PolarHBondContact O-N 2.76Å; I1273-L1277 HydrophobicContact CG2-CD1 3.83Å; I1273-L1277 HydrophobicContact CG2-CG 4.25Å; I1273-L1277 WeakPolarHBondContact O-CB 3.21Å; I1273-L1277 VanDerWaalsContact O-CG 3.22Å; I1273-L1277 WeakPolarHBondContact O-CG 3.3Å; I1273-L1277 PolarHBondContact O-N 3.25Å |
| 1274 | R | 89.3 | Confident | 85.9 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.3 | -74.9 | 175.6 | 62.4 | -159.2 | -5.5 | 112.4 | V156 S1270 L1271 I1272 A1276 L1277 A1278 A1289 | V156-R1274 VanDerWaalsContact CG1-O 3.3Å; V156-R1274 WeakPolarHBondContact CG1-O 3.21Å; V156-R1274 PolarHBondContact O-NE 2.82Å; V156-R1274 PolarHBondContact O-NH2 2.89Å; S1270-R1274 WeakPolarHBondContact O-CB 3.31Å; S1270-R1274 VanDerWaalsContact O-CG 3.26Å; S1270-R1274 WeakPolarHBondContact O-CG 3.27Å; S1270-R1274 PolarHBondContact O-N 2.81Å; L1271-R1274 PolarHBondContact O-N 3.13Å; I1272-R1274 VanDerWaalsContact C-N 3.3Å; I1272-R1274 PolarHBondContact O-N 2.85Å; R1274-A1276 VanDerWaalsContact C-N 3.35Å; R1274-L1277 PolarHBondContact O-N 2.88Å; R1274-A1278 WeakPolarHBondContact O-CB 3.31Å; R1274-A1278 PolarHBondContact O-N 3.34Å; R1274-A1289 PolarHBondContact NH2-O 2.78Å |
| 1275 | L | 85.4 | Confident | 85.5 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 174.7 | -78 | 162.8 | 0 | 0 | 0 | 111.4 | L1188 L1271 I1272 A1278 E1279 L1288 I1312 | L1188-L1275 HydrophobicContact CD1-CB 3.81Å; L1271-L1275 HydrophobicContact CG-CD1 4.4Å; L1271-L1275 WeakPolarHBondContact O-CG 3.5Å; L1271-L1275 PolarHBondContact O-N 3.02Å; I1272-L1275 WeakPolarHBondContact O-CB 3.31Å; I1272-L1275 PolarHBondContact O-N 2.91Å; L1275-A1278 PolarHBondContact O-N 3.49Å; L1275-E1279 PolarHBondContact O-N 2.8Å; L1275-E1279 VanDerWaalsContact O-N 3.1Å; L1275-L1288 HydrophobicContact CD2-CD2 3.22Å; L1275-L1288 HydrophobicContact CG-CD2 3.99Å; L1275-I1312 HydrophobicContact CD1-CD1 4.23Å; L1275-I1312 HydrophobicContact CD2-CD1 4.3Å |
| 1276 | A | 88.6 | Confident | 85 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1181 I1184 I1185 I1272 I1273 R1274 A1278 E1279 V1280 | L1181-A1276 HydrophobicContact CD1-CB 3.54Å; L1181-A1276 WeakPolarHBondContact CD1-O 3.29Å; L1181-A1276 HydrophobicContact CG-CB 4.39Å; I1184-A1276 HydrophobicContact CB-CB 4Å; I1184-A1276 HydrophobicContact CG2-CB 3.64Å; I1185-A1276 HydrophobicContact CD1-CB 4.33Å; I1185-A1276 HydrophobicContact CG1-CB 3.49Å; I1185-A1276 VanDerWaalsContact CG1-CB 3.49Å; I1272-A1276 WeakPolarHBondContact O-CB 3.06Å; I1272-A1276 PolarHBondContact O-N 3.12Å; I1273-A1276 PolarHBondContact O-N 2.76Å; R1274-A1276 VanDerWaalsContact C-N 3.35Å; A1276-A1278 VanDerWaalsContact C-N 3.34Å; A1276-A1278 PolarHBondContact O-N 2.87Å; A1276-E1279 PolarHBondContact O-N 2.89Å; A1276-V1280 WeakPolarHBondContact O-CG2 3.43Å; A1276-V1280 PolarHBondContact O-N 3.22Å |
| 1277 | L | 89.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 175.2 | -75.7 | 171.1 | 0 | 0 | 0 | 111.6 | V156 W166 F178 L181 L1181 I1273 R1274 E1279 V1280 F1281 | V156-L1277 HydrophobicContact CG1-CB 3.82Å; V156-L1277 HydrophobicContact CG2-CB 3.83Å; V156-L1277 HydrophobicContact CG2-CD1 3.94Å; V156-L1277 HydrophobicContact CG2-CG 4.49Å; W166-L1277 HydrophobicContact CH2-CD1 4.06Å; W166-L1277 HydrophobicContact CZ2-CD1 3.7Å; F178-L1277 HydrophobicContact CE1-CD2 4.14Å; L181-L1277 HydrophobicContact CD1-CD1 4.02Å; L181-L1277 HydrophobicContact CD1-CD2 4.24Å; L1181-L1277 HydrophobicContact CD1-CB 4.43Å; L1181-L1277 HydrophobicContact CD1-CD2 3.8Å; L1181-L1277 HydrophobicContact CD1-CG 3.94Å; L1181-L1277 HydrophobicContact CD2-CD2 3.85Å; L1181-L1277 HydrophobicContact CD2-CG 4.43Å; I1273-L1277 HydrophobicContact CG2-CD1 3.83Å; I1273-L1277 HydrophobicContact CG2-CG 4.25Å; I1273-L1277 WeakPolarHBondContact O-CB 3.21Å; I1273-L1277 VanDerWaalsContact O-CG 3.22Å; I1273-L1277 WeakPolarHBondContact O-CG 3.3Å; I1273-L1277 PolarHBondContact O-N 3.25Å; R1274-L1277 PolarHBondContact O-N 2.88Å; L1277-E1279 VanDerWaalsContact C-N 3.28Å; L1277-E1279 PolarHBondContact O-N 3Å; L1277-V1280 PolarHBondContact O-N 2.93Å; L1277-F1281 HydrophobicContact CB-CD2 4.48Å; L1277-F1281 HydrophobicContact CD2-CD2 3.82Å; L1277-F1281 HydrophobicContact CD2-CE2 3.53Å; L1277-F1281 WeakPolarHBondContact O-CB 3.49Å; L1277-F1281 WeakPolarHBondContact O-CD2 3.44Å; L1277-F1281 PolarHBondContact O-N 3.17Å |
| 1278 | A | 85 | Confident | 85 | Confident | 9 Ų | 9 | 20.2 Ų | 20.2 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V156 R1274 L1275 A1276 C1282 L1288 | V156-A1278 HydrophobicContact CG1-CB 3.87Å; R1274-A1278 WeakPolarHBondContact O-CB 3.31Å; R1274-A1278 PolarHBondContact O-N 3.34Å; L1275-A1278 PolarHBondContact O-N 3.49Å; A1276-A1278 VanDerWaalsContact C-N 3.34Å; A1276-A1278 PolarHBondContact O-N 2.87Å; A1278-C1282 WeakPolarHBondContact O-CA 3.38Å; A1278-C1282 WeakPolarHBondContact O-CB 3.41Å; A1278-C1282 PolarHBondContact O-N 3.17Å; A1278-C1282 PolarHBondContact O-SG 2.72Å; A1278-C1282 VanDerWaalsContact O-SG 3.41Å; A1278-L1288 HydrophobicContact CB-CD1 4.21Å |
| 1279 | E | 81.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 20.2 Ų | 20.2 | 38% | 0.383 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 177.3 | -177.2 | 161.6 | -152.1 | 0 | 0 | 113.4 | I1184 L1275 A1276 L1277 R1316 | I1184-E1279 HydrophobicContact CD1-CB 4.1Å; I1184-E1279 HydrophobicContact CD1-CG 3.72Å; I1184-E1279 VanDerWaalsContact CG2-OE2 3.27Å; I1184-E1279 WeakPolarHBondContact CG2-OE2 3.46Å; L1275-E1279 PolarHBondContact O-N 2.8Å; L1275-E1279 VanDerWaalsContact O-N 3.1Å; A1276-E1279 PolarHBondContact O-N 2.89Å; L1277-E1279 VanDerWaalsContact C-N 3.28Å; L1277-E1279 PolarHBondContact O-N 3Å; E1279-R1316 IonicContact OE1-NH2 3.51Å; E1279-R1316 PolarHBondContact OE1-NH2 3.14Å; E1279-R1316 IonicContact OE2-NH2 3.74Å; E1279-R1316 PolarHBondContact OE2-NH2 2.97Å |
| 1280 | V | 85.7 | Confident | 85.1 | Confident | 10 Ų | 10 | 20.2 Ų | 20.2 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -75.2 | -37.3 | -177.7 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | K1177 D1180 L1181 I1184 A1276 L1277 | K1177-V1280 HydrophobicContact CB-CG1 4.42Å; K1177-V1280 HydrophobicContact CD-CG1 3.56Å; D1180-V1280 HydrophobicContact CB-CG2 4.29Å; L1181-V1280 HydrophobicContact CB-CG2 4.18Å; L1181-V1280 HydrophobicContact CD1-CB 4.45Å; L1181-V1280 HydrophobicContact CD1-CG2 3.95Å; I1184-V1280 HydrophobicContact CD1-CG2 3.73Å; A1276-V1280 WeakPolarHBondContact O-CG2 3.43Å; A1276-V1280 PolarHBondContact O-N 3.22Å; L1277-V1280 PolarHBondContact O-N 2.93Å |
| 1281 | F | 83.7 | Confident | 85.1 | Confident | 33 Ų | 33 | 20.6 Ų | 20.6 | 15% | 0.145 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -104.8 | -23.3 | -171.9 | -69.1 | -73.8 | 0 | 0 | 0 | 114.7 | V152 F182 L1277 L1283 | V152-F1281 HydrophobicContact CG1-CB 4.32Å; V152-F1281 HydrophobicContact CG2-CB 3.85Å; V152-F1281 HydrophobicContact CG2-CG 4.26Å; F182-F1281 HydrophobicContact CD1-CE1 4.03Å; F182-F1281 AromaticContact CD1-CZ 3.64Å; F182-F1281 HydrophobicContact CD1-CZ 3.64Å; F182-F1281 HydrophobicContact CE1-CE1 4.3Å; F182-F1281 AromaticContact CE1-CZ 3.56Å; F182-F1281 HydrophobicContact CE1-CZ 3.56Å; F182-F1281 HydrophobicContact CG-CZ 4.25Å; F182-F1281 HydrophobicContact CZ-CZ 4.1Å; L1277-F1281 HydrophobicContact CB-CD2 4.48Å; L1277-F1281 HydrophobicContact CD2-CD2 3.82Å; L1277-F1281 HydrophobicContact CD2-CE2 3.53Å; L1277-F1281 WeakPolarHBondContact O-CB 3.49Å; L1277-F1281 WeakPolarHBondContact O-CD2 3.44Å; L1277-F1281 PolarHBondContact O-N 3.17Å; F1281-L1283 PolarHBondContact O-N 3Å |
| 1282 | C | 78.1 | Confident | 85.1 | Confident | 14 Ų | 14 | 20.5 Ų | 20.5 | 10% | 0.095 | 11% | 0.109 | C | C | . | . | trans | -99.1 | 57.1 | -175.5 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | V148 V152 A1278 H1284 C1285 | V148-C1282 HydrophobicContact CG2-CB 4.4Å; V152-C1282 WeakPolarHBondContact CG1-SG 3.41Å; A1278-C1282 WeakPolarHBondContact O-CA 3.38Å; A1278-C1282 WeakPolarHBondContact O-CB 3.41Å; A1278-C1282 PolarHBondContact O-N 3.17Å; A1278-C1282 PolarHBondContact O-SG 2.72Å; A1278-C1282 VanDerWaalsContact O-SG 3.41Å; C1282-H1284 PolarHBondContact O-N 3.37Å; C1282-C1285 WeakPolarHBondContact CB-O 3.15Å | ||
| 1283 | L | 74.3 | Confident | 85 | Confident | 112 Ų | 112 | 20.7 Ų | 20.7 | 59% | 0.586 | 11% | 0.11 | S | C | * | . | S | Bend | trans | -62.4 | -28.8 | 178.7 | -67 | 171.5 | 0 | 0 | 0 | 113.4 | M1 F1281 | M1-L1283 WeakPolarHBondContact CE-O 3.36Å; F1281-L1283 PolarHBondContact O-N 3Å |
| 1284 | H | 75.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 21.1 Ų | 21.1 | 46% | 0.463 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -108.3 | -8.4 | -173.6 | -60.8 | -49.2 | 0 | 0 | 0 | 114.9 | M1 A2 V88 C1282 | M1-H1284 CarbonylContact C-O 3.41Å; M1-H1284 WeakPolarHBondContact CA-O 3.11Å; M1-H1284 VanDerWaalsContact CB-O 3.3Å; M1-H1284 WeakPolarHBondContact CB-O 3.34Å; A2-H1284 PolarHBondContact N-O 2.76Å; V88-H1284 HydrophobicContact CG1-CB 3.87Å; C1282-H1284 PolarHBondContact O-N 3.37Å |
| 1285 | C | 77.5 | Confident | 84.5 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 103.8 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | V148 C1282 V1287 | V148-C1285 HydrophobicContact CG2-CB 3.39Å; C1282-C1285 WeakPolarHBondContact CB-O 3.15Å; C1285-V1287 PolarHBondContact O-N 3.46Å; C1285-V1287 VanDerWaalsContact O-N 3.09Å; C1285-V1287 VanDerWaalsContact SG-CG2 3.57Å |
| 1286 | G | 79.6 | Confident | 84.3 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 25 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1321 F1322 Q1323 | G1286-N1321 WeakPolarHBondContact CA-O 3.36Å; G1286-F1322 WeakPolarHBondContact O-CA 3.33Å; G1286-Q1323 PolarHBondContact O-N 2.88Å |
| 1287 | V | 86.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134 | -172.2 | -174.8 | 0 | 0 | 0 | 0 | 111 | I4 I157 F158 C1285 Q1323 I1325 | I4-V1287 HydrophobicContact CD1-CG1 3.77Å; I4-V1287 HydrophobicContact CD1-CG2 4.23Å; I4-V1287 HydrophobicContact CG1-CG1 4.5Å; I4-V1287 HydrophobicContact CG1-CG2 4.13Å; I157-V1287 HydrophobicContact CG2-CB 4.39Å; I157-V1287 HydrophobicContact CG2-CG1 4.16Å; I157-V1287 WeakPolarHBondContact CG2-O 3.22Å; F158-V1287 HydrophobicContact CE1-CG1 4.44Å; C1285-V1287 PolarHBondContact O-N 3.46Å; C1285-V1287 VanDerWaalsContact O-N 3.09Å; C1285-V1287 VanDerWaalsContact SG-CG2 3.57Å; V1287-Q1323 CarbonylContact C-O 3.58Å; V1287-Q1323 VanDerWaalsContact CA-O 3.29Å; V1287-Q1323 WeakPolarHBondContact CA-O 3.48Å; V1287-Q1323 HydrophobicContact CG2-CB 4.2Å; V1287-I1325 HydrophobicContact CG1-CD1 4.34Å |
| 1288 | L | 89.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 132.4 | 170.6 | -178.2 | 64.7 | 0 | 0 | 0 | 110.9 | V156 L1275 A1278 L1290 Q1323 L1324 I1325 | V156-L1288 WeakPolarHBondContact O-CD1 3.18Å; L1275-L1288 HydrophobicContact CD2-CD2 3.22Å; L1275-L1288 HydrophobicContact CG-CD2 3.99Å; A1278-L1288 HydrophobicContact CB-CD1 4.21Å; L1288-L1290 HydrophobicContact CD1-CD2 4.49Å; L1288-L1290 HydrophobicContact CD2-CD2 3.96Å; L1288-L1290 HydrophobicContact CG-CD2 3.96Å; L1288-Q1323 PolarHBondContact N-O 2.83Å; L1288-L1324 HydrophobicContact CB-CD1 4.23Å; L1288-L1324 HydrophobicContact CD2-CD1 4.26Å; L1288-L1324 HydrophobicContact CG-CD1 4.39Å; L1288-I1325 PolarHBondContact O-N 2.72Å |
| 1289 | A | 90.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I44 I157 F158 R1274 I1325 | I44-A1289 HydrophobicContact CD1-CB 3.67Å; I44-A1289 HydrophobicContact CG1-CB 4.45Å; I44-A1289 HydrophobicContact CG2-CB 4.39Å; I157-A1289 WeakPolarHBondContact O-CB 3.42Å; I157-A1289 PolarHBondContact O-N 3.4Å; F158-A1289 HydrophobicContact CD1-CB 4.06Å; R1274-A1289 PolarHBondContact NH2-O 2.78Å; A1289-I1325 CarbonylContact C-O 3.53Å; A1289-I1325 VanDerWaalsContact CA-O 3.31Å; A1289-I1325 WeakPolarHBondContact CA-O 3.45Å; A1289-I1325 HydrophobicContact CB-CB 4.24Å |
| 1290 | L | 89.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106 | 177.4 | -56.6 | -173.1 | 0 | 0 | 0 | 108.9 | L1271 L1288 P1293 L1309 L1324 I1325 I1327 | L1271-L1290 HydrophobicContact CD1-CD1 4.08Å; L1271-L1290 HydrophobicContact CD1-CD2 3.38Å; L1271-L1290 HydrophobicContact CD1-CG 4.21Å; L1288-L1290 HydrophobicContact CD1-CD2 4.49Å; L1288-L1290 HydrophobicContact CD2-CD2 3.96Å; L1288-L1290 HydrophobicContact CG-CD2 3.96Å; L1290-P1293 HydrophobicContact CB-CB 4.3Å; L1290-P1293 HydrophobicContact CB-CG 4.28Å; L1290-L1309 HydrophobicContact CD1-CD1 4.14Å; L1290-L1309 HydrophobicContact CD1-CD2 3.88Å; L1290-L1324 HydrophobicContact CD1-CD1 3.95Å; L1290-L1324 HydrophobicContact CG-CD1 4.05Å; L1290-I1325 PolarHBondContact N-O 2.89Å; L1290-I1327 PolarHBondContact O-N 3.32Å |
| 1291 | D | 89.1 | Confident | 84 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 109.9 | 179.9 | -166.9 | 6.9 | 0 | 0 | 0 | 109.7 | T41 I44 | T41-D1291 VanDerWaalsContact CG2-OD2 3.3Å; T41-D1291 WeakPolarHBondContact CG2-OD2 3.35Å; T41-D1291 PolarHBondContact OG1-OD1 2.92Å; I44-D1291 HydrophobicContact CG1-CB 4.39Å |
| 1292 | E | 87.6 | Confident | 84.1 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 52.8 | 56.9 | -178.8 | -63.2 | -67.5 | 175.3 | 0 | 0 | 114.2 | K40 T1294 T1295 I1327 T1328 H1329 | K40-E1292 WeakPolarHBondContact CE-OE1 3.45Å; K40-E1292 IonicContact NZ-OE1 2.79Å; E1292-T1294 PolarHBondContact O-N 3.41Å; E1292-T1294 VanDerWaalsContact O-N 3.12Å; E1292-T1295 WeakPolarHBondContact CB-OG1 3.15Å; E1292-T1295 WeakPolarHBondContact O-CB 3.37Å; E1292-T1295 PolarHBondContact O-N 3.31Å; E1292-T1295 VanDerWaalsContact O-N 3.16Å; E1292-T1295 PolarHBondContact O-OG1 2.79Å; E1292-I1327 WeakPolarHBondContact CA-O 3.48Å; E1292-I1327 PolarHBondContact N-O 2.72Å; E1292-T1328 WeakPolarHBondContact OE2-CA 3.39Å; E1292-H1329 VanDerWaalsContact CD-ND1 3.27Å; E1292-H1329 PolarHBondContact OE1-N 3.21Å; E1292-H1329 IonicContact OE1-ND1 3.87Å; E1292-H1329 PolarHBondContact OE1-ND1 2.96Å; E1292-H1329 IonicContact OE2-CE1 3.72Å; E1292-H1329 PolarHBondContact OE2-CE1 2.85Å; E1292-H1329 IonicContact OE2-CG 3.5Å; E1292-H1329 PolarHBondContact OE2-N 3.21Å; E1292-H1329 IonicContact OE2-ND1 3.13Å; E1292-H1329 PolarHBondContact OE2-ND1 2.78Å |
| 1293 | P | 86.5 | Confident | 84.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.8 | -173.7 | 29.3 | -36.2 | 0 | 0 | 0 | 114.1 | L1271 L1290 T1295 L1297 L1305 V1326 I1327 F1333 | L1271-P1293 HydrophobicContact CD2-CB 4.17Å; L1290-P1293 HydrophobicContact CB-CB 4.3Å; L1290-P1293 HydrophobicContact CB-CG 4.28Å; P1293-T1295 VanDerWaalsContact C-N 3.35Å; P1293-L1297 VanDerWaalsContact O-CD1 3.29Å; P1293-L1297 WeakPolarHBondContact O-CD1 3.45Å; P1293-L1305 HydrophobicContact CB-CD2 4.14Å; P1293-V1326 HydrophobicContact CG-CG1 4.07Å; P1293-I1327 WeakPolarHBondContact CD-O 3.26Å; P1293-F1333 HydrophobicContact CG-CE1 3.73Å; P1293-F1333 HydrophobicContact CG-CZ 4.11Å |
| 1294 | T | 86.7 | Confident | 85 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.1 | 179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | E1292 N1296 L1297 I1302 D1330 F1333 | E1292-T1294 PolarHBondContact O-N 3.41Å; E1292-T1294 VanDerWaalsContact O-N 3.12Å; T1294-N1296 PolarHBondContact O-N 3Å; T1294-L1297 PolarHBondContact O-N 3.29Å; T1294-L1297 VanDerWaalsContact O-N 3.12Å; T1294-I1302 HydrophobicContact CG2-CD1 4.45Å; T1294-I1302 HydrophobicContact CG2-CG1 4.04Å; T1294-I1302 HydrophobicContact CG2-CG2 3.97Å; T1294-D1330 HydrophobicContact CG2-CB 4.37Å; T1294-F1333 HydrophobicContact CG2-CB 3.79Å; T1294-F1333 HydrophobicContact CG2-CD1 3.73Å; T1294-F1333 HydrophobicContact CG2-CD2 3.71Å; T1294-F1333 HydrophobicContact CG2-CE1 4.13Å; T1294-F1333 HydrophobicContact CG2-CE2 4.11Å; T1294-F1333 HydrophobicContact CG2-CG 3.47Å; T1294-F1333 VanDerWaalsContact CG2-CG 3.47Å; T1294-F1333 HydrophobicContact CG2-CZ 4.3Å |
| 1295 | T | 83.3 | Confident | 85.4 | Confident | 44 Ų | 44 | 35.2 Ų | 35.2 | 27% | 0.27 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 122.7 | -178.1 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | E1292 P1293 L1297 | E1292-T1295 WeakPolarHBondContact CB-OG1 3.15Å; E1292-T1295 WeakPolarHBondContact O-CB 3.37Å; E1292-T1295 PolarHBondContact O-N 3.31Å; E1292-T1295 VanDerWaalsContact O-N 3.16Å; E1292-T1295 PolarHBondContact O-OG1 2.79Å; P1293-T1295 VanDerWaalsContact C-N 3.35Å; T1295-L1297 PolarHBondContact O-N 3.36Å |
| 1296 | N | 82.3 | Confident | 85.8 | Confident | 113 Ų | 113 | 35.2 Ų | 35.2 | 60% | 0.604 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 18.2 | -179.7 | -56 | -46.7 | 0 | 0 | 0 | 115.5 | A1263 G1264 T1294 | A1263-N1296 HydrophobicContact CB-CB 4.04Å; G1264-N1296 WeakPolarHBondContact CA-O 3.28Å; T1294-N1296 PolarHBondContact O-N 3Å |
| 1297 | L | 84 | Confident | 86 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | trans | -89.2 | 145.3 | 171 | -63.3 | -175.7 | 0 | 0 | 0 | 110.3 | G1264 L1268 P1293 T1294 T1295 N1301 I1302 L1305 | G1264-L1297 WeakPolarHBondContact O-CD2 3.48Å; L1268-L1297 HydrophobicContact CB-CD2 4.2Å; P1293-L1297 VanDerWaalsContact O-CD1 3.29Å; P1293-L1297 WeakPolarHBondContact O-CD1 3.45Å; T1294-L1297 PolarHBondContact O-N 3.29Å; T1294-L1297 VanDerWaalsContact O-N 3.12Å; T1295-L1297 PolarHBondContact O-N 3.36Å; L1297-N1301 HydrophobicContact CD2-CB 4.49Å; L1297-I1302 HydrophobicContact CB-CD1 4.26Å; L1297-I1302 HydrophobicContact CB-CG1 3.63Å; L1297-L1305 HydrophobicContact CD1-CD2 3.79Å | ||
| 1298 | D | 84.9 | Confident | 85.7 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | trans | -76.9 | 165.1 | 167.6 | 55.7 | 30.5 | 0 | 0 | 0 | 110.3 | E1300 N1301 I1302 | D1298-E1300 VanDerWaalsContact C-N 3.28Å; D1298-E1300 PolarHBondContact O-N 3.27Å; D1298-N1301 PolarHBondContact O-N 2.88Å; D1298-N1301 WeakPolarHBondContact OD1-CB 3.46Å; D1298-N1301 PolarHBondContact OD1-N 2.81Å; D1298-N1301 PolarHBondContact OD1-ND2 2.94Å; D1298-N1301 PolarHBondContact OD2-ND2 3.31Å; D1298-I1302 VanDerWaalsContact O-CG1 3.24Å; D1298-I1302 WeakPolarHBondContact O-CG1 3.16Å; D1298-I1302 PolarHBondContact O-N 3.23Å | ||
| 1299 | R | 85.8 | Confident | 85.3 | Confident | 174 Ų | 174 | 41 Ų | 41 | 66% | 0.657 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -57.7 | -39.8 | -177.4 | -173.4 | 177.8 | 177.3 | 146.9 | 9.4 | 112.8 | I1302 E1303 | R1299-I1302 PolarHBondContact O-N 3.33Å; R1299-E1303 IonicContact NE-OE1 3.48Å; R1299-E1303 PolarHBondContact NE-OE1 2.78Å; R1299-E1303 WeakPolarHBondContact O-CG 3.28Å; R1299-E1303 PolarHBondContact O-N 2.92Å |
| 1300 | E | 85.5 | Confident | 85 | Confident | 134 Ų | 134 | 42.3 Ų | 42.3 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.8 | -42.7 | 179.8 | -65 | -176.4 | -177.6 | 0 | 0 | 112.2 | D1298 S1304 | D1298-E1300 VanDerWaalsContact C-N 3.28Å; D1298-E1300 PolarHBondContact O-N 3.27Å; E1300-S1304 VanDerWaalsContact O-CB 3.27Å; E1300-S1304 WeakPolarHBondContact O-CB 3.08Å; E1300-S1304 PolarHBondContact O-N 2.83Å |
| 1301 | N | 83.2 | Confident | 84.5 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.5 | -28.9 | 175.9 | -69.4 | -59.9 | 0 | 0 | 0 | 112 | R1194 L1297 D1298 L1305 | R1194-N1301 PolarHBondContact N-OD1 2.93Å; L1297-N1301 HydrophobicContact CD2-CB 4.49Å; D1298-N1301 PolarHBondContact O-N 2.88Å; D1298-N1301 WeakPolarHBondContact OD1-CB 3.46Å; D1298-N1301 PolarHBondContact OD1-N 2.81Å; D1298-N1301 PolarHBondContact OD1-ND2 2.94Å; D1298-N1301 PolarHBondContact OD2-ND2 3.31Å; N1301-L1305 WeakPolarHBondContact O-CB 3.47Å; N1301-L1305 PolarHBondContact O-N 2.92Å |
| 1302 | I | 86 | Confident | 84 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -50 | 171 | -69.7 | 166.9 | 0 | 0 | 0 | 110.3 | T1294 L1297 D1298 R1299 S1304 L1305 A1306 F1333 | T1294-I1302 HydrophobicContact CG2-CD1 4.45Å; T1294-I1302 HydrophobicContact CG2-CG1 4.04Å; T1294-I1302 HydrophobicContact CG2-CG2 3.97Å; L1297-I1302 HydrophobicContact CB-CD1 4.26Å; L1297-I1302 HydrophobicContact CB-CG1 3.63Å; D1298-I1302 VanDerWaalsContact O-CG1 3.24Å; D1298-I1302 WeakPolarHBondContact O-CG1 3.16Å; D1298-I1302 PolarHBondContact O-N 3.23Å; R1299-I1302 PolarHBondContact O-N 3.33Å; I1302-S1304 PolarHBondContact O-N 3.2Å; I1302-L1305 PolarHBondContact O-N 3.21Å; I1302-A1306 PolarHBondContact O-N 2.87Å; I1302-F1333 HydrophobicContact CG2-CB 4.09Å; I1302-F1333 HydrophobicContact CG2-CD2 3.68Å; I1302-F1333 HydrophobicContact CG2-CG 4.29Å |
| 1303 | E | 86.1 | Confident | 83.7 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 176.2 | -75.2 | 174.5 | -166.5 | 0 | 0 | 110.6 | R1299 L1305 A1306 Y1307 L1336 | R1299-E1303 IonicContact NE-OE1 3.48Å; R1299-E1303 PolarHBondContact NE-OE1 2.78Å; R1299-E1303 WeakPolarHBondContact O-CG 3.28Å; R1299-E1303 PolarHBondContact O-N 2.92Å; E1303-L1305 VanDerWaalsContact C-N 3.32Å; E1303-L1305 PolarHBondContact O-N 2.88Å; E1303-A1306 WeakPolarHBondContact O-CB 3.29Å; E1303-A1306 PolarHBondContact O-N 2.85Å; E1303-A1306 VanDerWaalsContact O-N 3.16Å; E1303-Y1307 HydrophobicContact CB-CE2 4.5Å; E1303-Y1307 WeakPolarHBondContact O-CD2 3.47Å; E1303-Y1307 PolarHBondContact O-N 2.84Å; E1303-L1336 HydrophobicContact CB-CD1 4.45Å; E1303-L1336 HydrophobicContact CG-CD1 3.7Å; E1303-L1336 HydrophobicContact CG-CD2 4.47Å |
| 1304 | S | 84.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 178.3 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | T1192 R1194 E1300 I1302 Y1307 A1308 | T1192-S1304 WeakPolarHBondContact O-CB 3.31Å; T1192-S1304 PolarHBondContact O-OG 3.44Å; R1194-S1304 PolarHBondContact NE-OG 2.79Å; R1194-S1304 PolarHBondContact NH2-OG 2.8Å; R1194-S1304 VanDerWaalsContact NH2-OG 3.15Å; E1300-S1304 VanDerWaalsContact O-CB 3.27Å; E1300-S1304 WeakPolarHBondContact O-CB 3.08Å; E1300-S1304 PolarHBondContact O-N 2.83Å; I1302-S1304 PolarHBondContact O-N 3.2Å; S1304-Y1307 PolarHBondContact O-N 2.8Å; S1304-A1308 WeakPolarHBondContact O-CB 3.44Å; S1304-A1308 PolarHBondContact O-N 2.93Å |
| 1305 | L | 84.6 | Confident | 83 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 173.4 | 179.2 | 61.9 | 0 | 0 | 0 | 111.5 | T1192 L1268 L1271 P1293 L1297 N1301 I1302 E1303 A1308 L1309 F1333 | T1192-L1305 HydrophobicContact CG2-CB 4.12Å; T1192-L1305 HydrophobicContact CG2-CD1 3.97Å; L1268-L1305 HydrophobicContact CD1-CD1 4.31Å; L1271-L1305 HydrophobicContact CD2-CD1 3.51Å; L1271-L1305 HydrophobicContact CD2-CD2 3.62Å; L1271-L1305 HydrophobicContact CD2-CG 4.21Å; P1293-L1305 HydrophobicContact CB-CD2 4.14Å; L1297-L1305 HydrophobicContact CD1-CD2 3.79Å; N1301-L1305 WeakPolarHBondContact O-CB 3.47Å; N1301-L1305 PolarHBondContact O-N 2.92Å; I1302-L1305 PolarHBondContact O-N 3.21Å; E1303-L1305 VanDerWaalsContact C-N 3.32Å; E1303-L1305 PolarHBondContact O-N 2.88Å; L1305-A1308 PolarHBondContact O-N 2.98Å; L1305-L1309 HydrophobicContact CD1-CD1 4.4Å; L1305-L1309 HydrophobicContact CD1-CG 4.21Å; L1305-L1309 HydrophobicContact CG-CD1 4.26Å; L1305-L1309 HydrophobicContact CG-CG 4.49Å; L1305-L1309 WeakPolarHBondContact O-CB 3Å; L1305-L1309 WeakPolarHBondContact O-CG 3.32Å; L1305-L1309 PolarHBondContact O-N 2.77Å; L1305-F1333 HydrophobicContact CD2-CE2 4.44Å; L1305-F1333 HydrophobicContact CD2-CZ 4.42Å; L1305-F1333 HydrophobicContact CG-CE2 4.34Å; L1305-F1333 HydrophobicContact CG-CZ 4.48Å |
| 1306 | A | 84.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1302 E1303 A1308 L1309 V1310 F1333 L1336 L1337 | I1302-A1306 PolarHBondContact O-N 2.87Å; E1303-A1306 WeakPolarHBondContact O-CB 3.29Å; E1303-A1306 PolarHBondContact O-N 2.85Å; E1303-A1306 VanDerWaalsContact O-N 3.16Å; A1306-A1308 PolarHBondContact O-N 2.91Å; A1306-L1309 PolarHBondContact O-N 3.22Å; A1306-V1310 VanDerWaalsContact O-CG2 3.27Å; A1306-V1310 WeakPolarHBondContact O-CG2 3.47Å; A1306-V1310 PolarHBondContact O-N 2.84Å; A1306-F1333 HydrophobicContact CB-CD2 3.95Å; A1306-F1333 HydrophobicContact CB-CE2 3.76Å; A1306-L1336 HydrophobicContact CB-CB 3.89Å; A1306-L1336 HydrophobicContact CB-CD1 4.38Å; A1306-L1337 HydrophobicContact CB-CD2 4.28Å |
| 1307 | Y | 84 | Confident | 82.2 | Confident | 145 Ų | 145 | 51.8 Ų | 51.8 | 57% | 0.569 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.1 | -44.3 | 175.6 | -77.7 | -65.8 | 0 | 0 | 0 | 112.8 | E1303 S1304 V1310 E1311 | E1303-Y1307 HydrophobicContact CB-CE2 4.5Å; E1303-Y1307 WeakPolarHBondContact O-CD2 3.47Å; E1303-Y1307 PolarHBondContact O-N 2.84Å; S1304-Y1307 PolarHBondContact O-N 2.8Å; Y1307-V1310 PolarHBondContact O-N 2.83Å; Y1307-E1311 PolarHBondContact O-N 3.44Å |
| 1308 | A | 80.2 | Confident | 81.6 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1192 S1304 L1305 A1306 E1311 I1312 | T1192-A1308 HydrophobicContact CG2-CB 3.97Å; T1192-A1308 WeakPolarHBondContact OG1-CB 3.41Å; S1304-A1308 WeakPolarHBondContact O-CB 3.44Å; S1304-A1308 PolarHBondContact O-N 2.93Å; L1305-A1308 PolarHBondContact O-N 2.98Å; A1306-A1308 PolarHBondContact O-N 2.91Å; A1308-E1311 PolarHBondContact O-N 3.39Å; A1308-I1312 VanDerWaalsContact O-CG1 3.28Å; A1308-I1312 WeakPolarHBondContact O-CG1 3.43Å; A1308-I1312 PolarHBondContact O-N 2.75Å |
| 1309 | L | 82.6 | Confident | 81 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.8 | -72.6 | 176.5 | 0 | 0 | 0 | 111.2 | L1290 L1305 A1306 E1311 I1312 I1313 L1324 F1333 L1337 | L1290-L1309 HydrophobicContact CD1-CD1 4.14Å; L1290-L1309 HydrophobicContact CD1-CD2 3.88Å; L1305-L1309 HydrophobicContact CD1-CD1 4.4Å; L1305-L1309 HydrophobicContact CD1-CG 4.21Å; L1305-L1309 HydrophobicContact CG-CD1 4.26Å; L1305-L1309 HydrophobicContact CG-CG 4.49Å; L1305-L1309 WeakPolarHBondContact O-CB 3Å; L1305-L1309 WeakPolarHBondContact O-CG 3.32Å; L1305-L1309 PolarHBondContact O-N 2.77Å; A1306-L1309 PolarHBondContact O-N 3.22Å; L1309-E1311 VanDerWaalsContact C-N 3.33Å; L1309-E1311 PolarHBondContact O-N 3.24Å; L1309-I1312 PolarHBondContact O-N 3.27Å; L1309-I1313 WeakPolarHBondContact O-CB 3.48Å; L1309-I1313 VanDerWaalsContact O-CD1 3.29Å; L1309-I1313 WeakPolarHBondContact O-CD1 3.49Å; L1309-I1313 WeakPolarHBondContact O-CG1 3.36Å; L1309-I1313 PolarHBondContact O-N 2.79Å; L1309-L1324 HydrophobicContact CD2-CD2 4.14Å; L1309-F1333 HydrophobicContact CD1-CZ 3.73Å; L1309-L1337 HydrophobicContact CB-CD2 4.25Å |
| 1310 | V | 83 | Confident | 80.2 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | A1306 Y1307 I1313 K1314 L1337 | A1306-V1310 VanDerWaalsContact O-CG2 3.27Å; A1306-V1310 WeakPolarHBondContact O-CG2 3.47Å; A1306-V1310 PolarHBondContact O-N 2.84Å; Y1307-V1310 PolarHBondContact O-N 2.83Å; V1310-I1313 PolarHBondContact O-N 2.87Å; V1310-K1314 WeakPolarHBondContact O-CB 3.13Å; V1310-K1314 PolarHBondContact O-N 2.85Å; V1310-L1337 HydrophobicContact CG2-CD2 3.91Å |
| 1311 | E | 80.4 | Confident | 79.6 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 174.5 | -84.9 | -67.4 | 136.7 | 0 | 0 | 112.6 | Y1307 A1308 L1309 K1314 S1315 | Y1307-E1311 PolarHBondContact O-N 3.44Å; A1308-E1311 PolarHBondContact O-N 3.39Å; L1309-E1311 VanDerWaalsContact C-N 3.33Å; L1309-E1311 PolarHBondContact O-N 3.24Å; E1311-K1314 PolarHBondContact O-N 2.79Å; E1311-K1314 IonicContact OE1-NZ 3.54Å; E1311-K1314 PolarHBondContact OE1-NZ 3.24Å; E1311-S1315 WeakPolarHBondContact O-CB 3.46Å; E1311-S1315 PolarHBondContact O-N 3.49Å; E1311-S1315 PolarHBondContact O-OG 2.77Å |
| 1312 | I | 78.7 | Confident | 79.6 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 172.4 | -66.7 | 165.6 | 0 | 0 | 0 | 110.5 | L1188 L1275 A1308 L1309 S1315 R1316 F1322 | L1188-I1312 HydrophobicContact CD2-CD1 3.9Å; L1188-I1312 HydrophobicContact CD2-CG1 4.36Å; L1275-I1312 HydrophobicContact CD1-CD1 4.23Å; L1275-I1312 HydrophobicContact CD2-CD1 4.3Å; A1308-I1312 VanDerWaalsContact O-CG1 3.28Å; A1308-I1312 WeakPolarHBondContact O-CG1 3.43Å; A1308-I1312 PolarHBondContact O-N 2.75Å; L1309-I1312 PolarHBondContact O-N 3.27Å; I1312-S1315 WeakPolarHBondContact CA-OG 3.23Å; I1312-S1315 PolarHBondContact O-N 3.48Å; I1312-S1315 PolarHBondContact O-OG 3.43Å; I1312-R1316 VanDerWaalsContact O-CB 3.29Å; I1312-R1316 WeakPolarHBondContact O-CB 3.39Å; I1312-R1316 WeakPolarHBondContact O-CG 3.42Å; I1312-R1316 PolarHBondContact O-N 2.86Å; I1312-F1322 HydrophobicContact CG2-CE2 4.45Å; I1312-F1322 HydrophobicContact CG2-CZ 4Å |
| 1313 | I | 80.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.3 | -67.1 | 155.5 | 0 | 0 | 0 | 109.6 | P28 V29 L1309 V1310 R1316 S1317 F1322 L1324 Y1342 | P28-I1313 HydrophobicContact CB-CG2 4.23Å; P28-I1313 HydrophobicContact CG-CG2 3.8Å; V29-I1313 HydrophobicContact CG2-CB 4.36Å; V29-I1313 HydrophobicContact CG2-CD1 3.39Å; V29-I1313 HydrophobicContact CG2-CG1 3.56Å; V29-I1313 HydrophobicContact CG2-CG2 3.81Å; L1309-I1313 WeakPolarHBondContact O-CB 3.48Å; L1309-I1313 VanDerWaalsContact O-CD1 3.29Å; L1309-I1313 WeakPolarHBondContact O-CD1 3.49Å; L1309-I1313 WeakPolarHBondContact O-CG1 3.36Å; L1309-I1313 PolarHBondContact O-N 2.79Å; V1310-I1313 PolarHBondContact O-N 2.87Å; I1313-R1316 CarbonylContact O-C 3.56Å; I1313-R1316 PolarHBondContact O-N 2.94Å; I1313-S1317 VanDerWaalsContact O-CA 3.29Å; I1313-S1317 WeakPolarHBondContact O-CA 3.48Å; I1313-S1317 WeakPolarHBondContact O-CB 3.38Å; I1313-S1317 PolarHBondContact O-N 3.43Å; I1313-F1322 HydrophobicContact CG1-CE1 4.13Å; I1313-L1324 HydrophobicContact CD1-CD2 3.99Å; I1313-L1324 HydrophobicContact CG1-CD2 4.04Å; I1313-Y1342 HydrophobicContact CG2-CD1 4.28Å; I1313-Y1342 HydrophobicContact CG2-CD2 3.83Å; I1313-Y1342 HydrophobicContact CG2-CE2 4.46Å; I1313-Y1342 HydrophobicContact CG2-CG 3.74Å |
| 1314 | K | 81.3 | Confident | 79.8 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 179.2 | 177.5 | 173.7 | 174.2 | -165.4 | 0 | 112.1 | V1310 E1311 R1316 S1317 Y1342 | V1310-K1314 WeakPolarHBondContact O-CB 3.13Å; V1310-K1314 PolarHBondContact O-N 2.85Å; E1311-K1314 PolarHBondContact O-N 2.79Å; E1311-K1314 IonicContact OE1-NZ 3.54Å; E1311-K1314 PolarHBondContact OE1-NZ 3.24Å; K1314-R1316 VanDerWaalsContact C-N 3.34Å; K1314-R1316 PolarHBondContact O-N 2.67Å; K1314-S1317 PolarHBondContact O-OG 3.13Å; K1314-Y1342 HydrophobicContact CB-CE2 4.07Å; K1314-Y1342 WeakPolarHBondContact CG-OH 3.25Å |
| 1315 | S | 78.2 | Confident | 80.1 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | E1311 I1312 | E1311-S1315 WeakPolarHBondContact O-CB 3.46Å; E1311-S1315 PolarHBondContact O-N 3.49Å; E1311-S1315 PolarHBondContact O-OG 2.77Å; I1312-S1315 WeakPolarHBondContact CA-OG 3.23Å; I1312-S1315 PolarHBondContact O-N 3.48Å; I1312-S1315 PolarHBondContact O-OG 3.43Å |
| 1316 | R | 76.2 | Confident | 80.4 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -95.7 | -10.4 | -177.7 | -62.4 | -171.3 | 178.4 | 176.4 | 5.8 | 115 | E1279 I1312 I1313 K1314 R1318 Q1319 F1322 | E1279-R1316 IonicContact OE1-NH2 3.51Å; E1279-R1316 PolarHBondContact OE1-NH2 3.14Å; E1279-R1316 IonicContact OE2-NH2 3.74Å; E1279-R1316 PolarHBondContact OE2-NH2 2.97Å; I1312-R1316 VanDerWaalsContact O-CB 3.29Å; I1312-R1316 WeakPolarHBondContact O-CB 3.39Å; I1312-R1316 WeakPolarHBondContact O-CG 3.42Å; I1312-R1316 PolarHBondContact O-N 2.86Å; I1313-R1316 CarbonylContact O-C 3.56Å; I1313-R1316 PolarHBondContact O-N 2.94Å; K1314-R1316 VanDerWaalsContact C-N 3.34Å; K1314-R1316 PolarHBondContact O-N 2.67Å; R1316-R1318 PolarHBondContact O-N 3.45Å; R1316-R1318 VanDerWaalsContact O-N 3.11Å; R1316-Q1319 WeakPolarHBondContact O-CA 3.39Å; R1316-Q1319 VanDerWaalsContact O-CB 3.24Å; R1316-Q1319 WeakPolarHBondContact O-CB 3.35Å; R1316-Q1319 PolarHBondContact O-N 3.03Å; R1316-F1322 HydrophobicContact CB-CB 4.09Å; R1316-F1322 HydrophobicContact CB-CD1 3.85Å; R1316-F1322 HydrophobicContact CB-CD2 3.92Å; R1316-F1322 HydrophobicContact CB-CE1 4.26Å; R1316-F1322 HydrophobicContact CB-CE2 4.32Å; R1316-F1322 HydrophobicContact CB-CG 3.66Å; R1316-F1322 HydrophobicContact CB-CZ 4.47Å; R1316-F1322 HydrophobicContact CG-CD2 4.42Å |
| 1317 | S | 71.4 | Confident | 80.8 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.9 | -179.3 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | I1313 K1314 Q1319 | I1313-S1317 VanDerWaalsContact O-CA 3.29Å; I1313-S1317 WeakPolarHBondContact O-CA 3.48Å; I1313-S1317 WeakPolarHBondContact O-CB 3.38Å; I1313-S1317 PolarHBondContact O-N 3.43Å; K1314-S1317 PolarHBondContact O-OG 3.13Å; S1317-Q1319 PolarHBondContact O-N 2.81Å |
| 1318 | R | 72.3 | Confident | 81.1 | Confident | 232 Ų | 232 | 47.5 Ų | 47.5 | 88% | 0.875 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.3 | 174.8 | -64.2 | -177.6 | 179.8 | 179.2 | 0.1 | 112.7 | R1316 K1320 | R1316-R1318 PolarHBondContact O-N 3.45Å; R1316-R1318 VanDerWaalsContact O-N 3.11Å; R1318-K1320 PolarHBondContact O-N 3.27Å |
| 1319 | Q | 73.1 | Confident | 81.6 | Confident | 110 Ų | 110 | 51.2 Ų | 51.2 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -81.7 | 114.8 | 174.8 | -55.4 | 179.8 | -4.4 | 0 | 0 | 108.5 | R1316 S1317 N1321 F1322 | R1316-Q1319 WeakPolarHBondContact O-CA 3.39Å; R1316-Q1319 VanDerWaalsContact O-CB 3.24Å; R1316-Q1319 WeakPolarHBondContact O-CB 3.35Å; R1316-Q1319 PolarHBondContact O-N 3.03Å; S1317-Q1319 PolarHBondContact O-N 2.81Å; Q1319-N1321 PolarHBondContact O-N 2.87Å; Q1319-F1322 PolarHBondContact O-N 3.42Å |
| 1320 | K | 67.6 | Low | 81.9 | Confident | 178 Ų | 178 | 52.5 Ų | 52.5 | 77% | 0.774 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -15.7 | -177.9 | -69.1 | -172.7 | 175.8 | -175.5 | 0 | 115.2 | R1318 | R1318-K1320 PolarHBondContact O-N 3.27Š|
| 1321 | N | 72.8 | Confident | 82.1 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 6.2 | -167.4 | -43 | -50.3 | 0 | 0 | 0 | 113.7 | M1 L3 G1286 Q1319 | M1-N1321 HydrophobicContact CB-CB 3.88Å; M1-N1321 VanDerWaalsContact CB-ND2 3.28Å; M1-N1321 WeakPolarHBondContact CB-ND2 3.49Å; M1-N1321 HydrophobicContact SD-CB 4.13Å; M1-N1321 PolarHBondContact SD-ND2 3.19Å; L3-N1321 HydrophobicContact CD2-CB 4.26Å; L3-N1321 HydrophobicContact CG-CB 4.29Å; G1286-N1321 WeakPolarHBondContact CA-O 3.36Å; Q1319-N1321 PolarHBondContact O-N 2.87Å |
| 1322 | F | 84.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 122.8 | 176.8 | 177.5 | -106.3 | 0 | 0 | 0 | 110.2 | T27 P28 G1286 I1312 I1313 R1316 Q1319 L1324 | T27-F1322 WeakPolarHBondContact CG2-O 3.39Å; P28-F1322 WeakPolarHBondContact CA-O 3.5Å; P28-F1322 HydrophobicContact CB-CD1 3.86Å; P28-F1322 HydrophobicContact CB-CE1 4.41Å; G1286-F1322 WeakPolarHBondContact O-CA 3.33Å; I1312-F1322 HydrophobicContact CG2-CE2 4.45Å; I1312-F1322 HydrophobicContact CG2-CZ 4Å; I1313-F1322 HydrophobicContact CG1-CE1 4.13Å; R1316-F1322 HydrophobicContact CB-CB 4.09Å; R1316-F1322 HydrophobicContact CB-CD1 3.85Å; R1316-F1322 HydrophobicContact CB-CD2 3.92Å; R1316-F1322 HydrophobicContact CB-CE1 4.26Å; R1316-F1322 HydrophobicContact CB-CE2 4.32Å; R1316-F1322 HydrophobicContact CB-CG 3.66Å; R1316-F1322 HydrophobicContact CB-CZ 4.47Å; R1316-F1322 HydrophobicContact CG-CD2 4.42Å; Q1319-F1322 PolarHBondContact O-N 3.42Å; F1322-L1324 HydrophobicContact CE1-CB 4.12Å; F1322-L1324 HydrophobicContact CZ-CB 4.03Å |
| 1323 | Q | 87.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 117.6 | 178.8 | -72.3 | -174 | -45.2 | 0 | 0 | 110.3 | L3 I4 T27 P28 G1286 V1287 L1288 | L3-Q1323 VanDerWaalsContact CD2-CD 3.47Å; L3-Q1323 HydrophobicContact CD2-CG 3.76Å; I4-Q1323 PolarHBondContact O-NE2 2.78Å; I4-Q1323 PolarHBondContact O-OE1 3.09Å; T27-Q1323 HydrophobicContact CG2-CG 4.43Å; T27-Q1323 PolarHBondContact OG1-NE2 2.8Å; T27-Q1323 VanDerWaalsContact OG1-NE2 3.13Å; P28-Q1323 CarbonylContact O-C 3.49Å; P28-Q1323 WeakPolarHBondContact O-CA 3.27Å; G1286-Q1323 PolarHBondContact O-N 2.88Å; V1287-Q1323 CarbonylContact C-O 3.58Å; V1287-Q1323 VanDerWaalsContact CA-O 3.29Å; V1287-Q1323 WeakPolarHBondContact CA-O 3.48Å; V1287-Q1323 HydrophobicContact CG2-CB 4.2Å; L1288-Q1323 PolarHBondContact N-O 2.83Å |
| 1324 | L | 88.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118 | 174.8 | -175.2 | 68.3 | 0 | 0 | 0 | 109.2 | P28 V29 T30 L1288 L1290 L1309 I1313 F1322 V1326 | P28-L1324 PolarHBondContact O-N 3.34Å; V29-L1324 CarbonylContact C-O 2.81Å; V29-L1324 WeakPolarHBondContact CA-O 3.17Å; V29-L1324 HydrophobicContact CG2-CB 4.37Å; T30-L1324 PolarHBondContact N-O 2.97Å; L1288-L1324 HydrophobicContact CB-CD1 4.23Å; L1288-L1324 HydrophobicContact CD2-CD1 4.26Å; L1288-L1324 HydrophobicContact CG-CD1 4.39Å; L1290-L1324 HydrophobicContact CD1-CD1 3.95Å; L1290-L1324 HydrophobicContact CG-CD1 4.05Å; L1309-L1324 HydrophobicContact CD2-CD2 4.14Å; I1313-L1324 HydrophobicContact CD1-CD2 3.99Å; I1313-L1324 HydrophobicContact CG1-CD2 4.04Å; F1322-L1324 HydrophobicContact CE1-CB 4.12Å; F1322-L1324 HydrophobicContact CZ-CB 4.03Å; L1324-V1326 HydrophobicContact CD2-CG2 3.92Å; L1324-V1326 HydrophobicContact CG-CG2 3.81Å |
| 1325 | I | 91.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.5 | 175.9 | -56.6 | 167.4 | 0 | 0 | 0 | 107.1 | F25 T30 I32 I44 L47 V1287 L1288 A1289 L1290 | F25-I1325 HydrophobicContact CD1-CD1 3.55Å; F25-I1325 HydrophobicContact CD1-CG1 3.86Å; F25-I1325 HydrophobicContact CE1-CD1 3.61Å; F25-I1325 HydrophobicContact CE1-CG1 4.18Å; F25-I1325 HydrophobicContact CE1-CG2 4.26Å; F25-I1325 HydrophobicContact CG-CD1 4.4Å; F25-I1325 HydrophobicContact CZ-CD1 4.48Å; T30-I1325 WeakPolarHBondContact O-CA 3.27Å; I32-I1325 HydrophobicContact CD1-CG2 4.12Å; I44-I1325 HydrophobicContact CD1-CG2 4.08Å; L47-I1325 HydrophobicContact CD1-CD1 3.86Å; V1287-I1325 HydrophobicContact CG1-CD1 4.34Å; L1288-I1325 PolarHBondContact O-N 2.72Å; A1289-I1325 CarbonylContact C-O 3.53Å; A1289-I1325 VanDerWaalsContact CA-O 3.31Å; A1289-I1325 WeakPolarHBondContact CA-O 3.45Å; A1289-I1325 HydrophobicContact CB-CB 4.24Å; L1290-I1325 PolarHBondContact N-O 2.89Å |
| 1326 | V | 90.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.8 | -179.7 | -177 | 0 | 0 | 0 | 0 | 108.6 | T30 L31 I32 P1293 L1324 F1333 | T30-V1326 PolarHBondContact O-N 2.87Å; L31-V1326 CarbonylContact C-O 3.58Å; L31-V1326 HydrophobicContact CD2-CB 3.7Å; L31-V1326 HydrophobicContact CD2-CG1 4.32Å; L31-V1326 HydrophobicContact CD2-CG2 4.06Å; I32-V1326 PolarHBondContact N-O 2.85Å; P1293-V1326 HydrophobicContact CG-CG1 4.07Å; L1324-V1326 HydrophobicContact CD2-CG2 3.92Å; L1324-V1326 HydrophobicContact CG-CG2 3.81Å; V1326-F1333 HydrophobicContact CG1-CE1 3.81Å |
| 1327 | I | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.8 | 174.9 | -55.2 | -150.4 | 0 | 0 | 0 | 108.3 | I32 K40 V43 I44 L1290 E1292 P1293 | I32-I1327 HydrophobicContact CB-CB 4.5Å; I32-I1327 HydrophobicContact CB-CD1 4.31Å; I32-I1327 HydrophobicContact CB-CG1 4.02Å; I32-I1327 HydrophobicContact CD1-CD1 3.83Å; I32-I1327 HydrophobicContact CD1-CG1 4.05Å; I32-I1327 HydrophobicContact CG1-CG1 4.38Å; I32-I1327 HydrophobicContact CG2-CD1 4.42Å; I32-I1327 WeakPolarHBondContact O-CA 3.21Å; K40-I1327 HydrophobicContact CB-CG2 3.5Å; K40-I1327 VanDerWaalsContact CB-CG2 3.5Å; K40-I1327 HydrophobicContact CD-CG2 3.87Å; K40-I1327 HydrophobicContact CG-CG2 4.06Å; K40-I1327 WeakPolarHBondContact O-CD1 3.49Å; V43-I1327 HydrophobicContact CB-CD1 4.07Å; I44-I1327 HydrophobicContact CD1-CD1 3.56Å; I44-I1327 HydrophobicContact CD1-CG1 3.97Å; I44-I1327 HydrophobicContact CG1-CD1 3.48Å; I44-I1327 VanDerWaalsContact CG1-CD1 3.48Å; I44-I1327 HydrophobicContact CG1-CG1 4.06Å; L1290-I1327 PolarHBondContact O-N 3.32Å; E1292-I1327 WeakPolarHBondContact CA-O 3.48Å; E1292-I1327 PolarHBondContact N-O 2.72Å; P1293-I1327 WeakPolarHBondContact CD-O 3.26Å |
| 1328 | T | 90.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 162.9 | 178.1 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | I32 L33 G34 K40 E1292 D1330 F1333 V1334 | I32-T1328 PolarHBondContact O-N 2.95Å; L33-T1328 WeakPolarHBondContact CA-O 3.4Å; L33-T1328 HydrophobicContact CD1-CG2 4.45Å; G34-T1328 PolarHBondContact N-O 3.42Å; K40-T1328 WeakPolarHBondContact CD-O 3.41Å; E1292-T1328 WeakPolarHBondContact OE2-CA 3.39Å; T1328-D1330 VanDerWaalsContact OG1-CB 3.31Å; T1328-D1330 WeakPolarHBondContact OG1-CB 3.32Å; T1328-D1330 PolarHBondContact OG1-N 2.91Å; T1328-F1333 HydrophobicContact CG2-CD1 4.24Å; T1328-V1334 HydrophobicContact CG2-CG2 3.38Å |
| 1329 | H | 90.1 | Very high | 84.5 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 39% | 0.389 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -107.4 | -0.8 | 163.4 | 65.7 | -72.6 | 0 | 0 | 0 | 112.5 | G34 E1292 E1331 | G34-H1329 VanDerWaalsContact O-CB 3.3Å; G34-H1329 WeakPolarHBondContact O-CB 3.37Å; E1292-H1329 VanDerWaalsContact CD-ND1 3.27Å; E1292-H1329 PolarHBondContact OE1-N 3.21Å; E1292-H1329 IonicContact OE1-ND1 3.87Å; E1292-H1329 PolarHBondContact OE1-ND1 2.96Å; E1292-H1329 IonicContact OE2-CE1 3.72Å; E1292-H1329 PolarHBondContact OE2-CE1 2.85Å; E1292-H1329 IonicContact OE2-CG 3.5Å; E1292-H1329 PolarHBondContact OE2-N 3.21Å; E1292-H1329 IonicContact OE2-ND1 3.13Å; E1292-H1329 PolarHBondContact OE2-ND1 2.78Å; H1329-E1331 PolarHBondContact O-N 3.25Å |
| 1330 | D | 89.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | trans | -86.4 | 103.6 | -177.6 | -171.9 | -24.4 | 0 | 0 | 0 | 109.7 | T1294 T1328 D1332 F1333 V1334 | T1294-D1330 HydrophobicContact CG2-CB 4.37Å; T1328-D1330 VanDerWaalsContact OG1-CB 3.31Å; T1328-D1330 WeakPolarHBondContact OG1-CB 3.32Å; T1328-D1330 PolarHBondContact OG1-N 2.91Å; D1330-D1332 WeakPolarHBondContact OD1-CB 3.34Å; D1330-D1332 PolarHBondContact OD1-N 2.87Å; D1330-D1332 VanDerWaalsContact OD1-N 3.07Å; D1330-F1333 HydrophobicContact CB-CB 3.9Å; D1330-F1333 PolarHBondContact O-N 2.79Å; D1330-F1333 PolarHBondContact OD1-N 3.49Å; D1330-V1334 WeakPolarHBondContact O-CG2 3.37Å; D1330-V1334 PolarHBondContact O-N 3.45Å | ||
| 1331 | E | 87 | Confident | 84.9 | Confident | 110 Ų | 110 | 38.8 Ų | 38.8 | 51% | 0.514 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.5 | -77.5 | 178.1 | -167.7 | 0 | 0 | 111.9 | L33 H1329 F1333 V1334 E1335 F1368 | L33-E1331 HydrophobicContact CD1-CG 4.13Å; L33-E1331 HydrophobicContact CD2-CG 4.03Å; H1329-E1331 PolarHBondContact O-N 3.25Å; E1331-F1333 VanDerWaalsContact C-N 3.31Å; E1331-F1333 PolarHBondContact O-N 2.75Å; E1331-V1334 PolarHBondContact O-N 3.38Å; E1331-E1335 WeakPolarHBondContact O-CB 3.47Å; E1331-E1335 PolarHBondContact O-N 2.64Å; E1331-F1368 HydrophobicContact CB-CE1 4.07Å; E1331-F1368 HydrophobicContact CG-CE1 4.46Å |
| 1332 | D | 86 | Confident | 85.1 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.6 | -68 | -14.7 | 0 | 0 | 0 | 110.4 | D1330 E1335 L1336 | D1330-D1332 WeakPolarHBondContact OD1-CB 3.34Å; D1330-D1332 PolarHBondContact OD1-N 2.87Å; D1330-D1332 VanDerWaalsContact OD1-N 3.07Å; D1332-E1335 PolarHBondContact O-N 3.09Å; D1332-L1336 WeakPolarHBondContact O-CB 3.49Å; D1332-L1336 VanDerWaalsContact O-CG 3.22Å; D1332-L1336 WeakPolarHBondContact O-CG 3.46Å; D1332-L1336 PolarHBondContact O-N 2.96Å |
| 1333 | F | 87.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 176.8 | -175.3 | -115.4 | 0 | 0 | 0 | 112.9 | P1293 T1294 I1302 L1305 A1306 L1309 V1326 T1328 D1330 E1331 L1336 L1337 | P1293-F1333 HydrophobicContact CG-CE1 3.73Å; P1293-F1333 HydrophobicContact CG-CZ 4.11Å; T1294-F1333 HydrophobicContact CG2-CB 3.79Å; T1294-F1333 HydrophobicContact CG2-CD1 3.73Å; T1294-F1333 HydrophobicContact CG2-CD2 3.71Å; T1294-F1333 HydrophobicContact CG2-CE1 4.13Å; T1294-F1333 HydrophobicContact CG2-CE2 4.11Å; T1294-F1333 HydrophobicContact CG2-CG 3.47Å; T1294-F1333 VanDerWaalsContact CG2-CG 3.47Å; T1294-F1333 HydrophobicContact CG2-CZ 4.3Å; I1302-F1333 HydrophobicContact CG2-CB 4.09Å; I1302-F1333 HydrophobicContact CG2-CD2 3.68Å; I1302-F1333 HydrophobicContact CG2-CG 4.29Å; L1305-F1333 HydrophobicContact CD2-CE2 4.44Å; L1305-F1333 HydrophobicContact CD2-CZ 4.42Å; L1305-F1333 HydrophobicContact CG-CE2 4.34Å; L1305-F1333 HydrophobicContact CG-CZ 4.48Å; A1306-F1333 HydrophobicContact CB-CD2 3.95Å; A1306-F1333 HydrophobicContact CB-CE2 3.76Å; L1309-F1333 HydrophobicContact CD1-CZ 3.73Å; V1326-F1333 HydrophobicContact CG1-CE1 3.81Å; T1328-F1333 HydrophobicContact CG2-CD1 4.24Å; D1330-F1333 HydrophobicContact CB-CB 3.9Å; D1330-F1333 PolarHBondContact O-N 2.79Å; D1330-F1333 PolarHBondContact OD1-N 3.49Å; E1331-F1333 VanDerWaalsContact C-N 3.31Å; E1331-F1333 PolarHBondContact O-N 2.75Å; F1333-L1336 PolarHBondContact O-N 2.88Å; F1333-L1337 HydrophobicContact CD1-CD1 4.05Å; F1333-L1337 HydrophobicContact CE1-CD1 3.65Å; F1333-L1337 HydrophobicContact CE2-CD1 4.44Å; F1333-L1337 HydrophobicContact CZ-CD1 3.88Å; F1333-L1337 HydrophobicContact CZ-CG 4.49Å; F1333-L1337 WeakPolarHBondContact O-CG 3.34Å; F1333-L1337 PolarHBondContact O-N 3.38Å |
| 1334 | V | 86.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 173.8 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L31 L33 T1328 D1330 E1331 L1337 G1338 F1368 | L31-V1334 HydrophobicContact CD1-CG1 4.02Å; L33-V1334 HydrophobicContact CB-CG2 4.46Å; L33-V1334 HydrophobicContact CD1-CG2 4.1Å; T1328-V1334 HydrophobicContact CG2-CG2 3.38Å; D1330-V1334 WeakPolarHBondContact O-CG2 3.37Å; D1330-V1334 PolarHBondContact O-N 3.45Å; E1331-V1334 PolarHBondContact O-N 3.38Å; V1334-L1337 PolarHBondContact O-N 2.93Å; V1334-G1338 WeakPolarHBondContact O-CA 3.27Å; V1334-G1338 PolarHBondContact O-N 2.88Å; V1334-F1368 HydrophobicContact CB-CE2 4.45Å; V1334-F1368 HydrophobicContact CB-CZ 4.06Å; V1334-F1368 HydrophobicContact CG1-CE2 3.73Å; V1334-F1368 HydrophobicContact CG1-CZ 3.81Å |
| 1335 | E | 85 | Confident | 84.6 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.8 | -164 | -161.8 | 147.6 | 0 | 0 | 110.9 | E1331 D1332 L1337 G1338 R1339 F1368 | E1331-E1335 WeakPolarHBondContact O-CB 3.47Å; E1331-E1335 PolarHBondContact O-N 2.64Å; D1332-E1335 PolarHBondContact O-N 3.09Å; E1335-L1337 VanDerWaalsContact C-N 3.35Å; E1335-L1337 PolarHBondContact O-N 2.73Å; E1335-G1338 CarbonylContact O-C 3.59Å; E1335-G1338 PolarHBondContact O-N 2.89Å; E1335-G1338 VanDerWaalsContact O-N 3.12Å; E1335-R1339 WeakPolarHBondContact O-CG 3.36Å; E1335-R1339 PolarHBondContact O-N 3.43Å; E1335-R1339 IonicContact OE1-CZ 3.09Å; E1335-R1339 IonicContact OE1-NE 2.91Å; E1335-R1339 PolarHBondContact OE1-NE 2.91Å; E1335-R1339 IonicContact OE1-NH2 2.7Å; E1335-R1339 PolarHBondContact OE1-NH2 2.93Å; E1335-F1368 HydrophobicContact CB-CD1 4.15Å; E1335-F1368 HydrophobicContact CB-CE1 4.23Å; E1335-F1368 HydrophobicContact CG-CB 4.41Å; E1335-F1368 HydrophobicContact CG-CD1 4.18Å; E1335-F1368 HydrophobicContact CG-CG 4.29Å |
| 1336 | L | 85.1 | Confident | 84.6 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 177.7 | -73.1 | 166.3 | 0 | 0 | 0 | 112.7 | E1303 A1306 D1332 F1333 | E1303-L1336 HydrophobicContact CB-CD1 4.45Å; E1303-L1336 HydrophobicContact CG-CD1 3.7Å; E1303-L1336 HydrophobicContact CG-CD2 4.47Å; A1306-L1336 HydrophobicContact CB-CB 3.89Å; A1306-L1336 HydrophobicContact CB-CD1 4.38Å; D1332-L1336 WeakPolarHBondContact O-CB 3.49Å; D1332-L1336 VanDerWaalsContact O-CG 3.22Å; D1332-L1336 WeakPolarHBondContact O-CG 3.46Å; D1332-L1336 PolarHBondContact O-N 2.96Å; F1333-L1336 PolarHBondContact O-N 2.88Å |
| 1337 | L | 85 | Confident | 84.7 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.3 | -34.2 | 173.6 | -70 | 175.9 | 0 | 0 | 0 | 112 | L31 A1306 L1309 V1310 F1333 V1334 E1335 R1339 S1340 | L31-L1337 HydrophobicContact CD1-CB 4.09Å; L31-L1337 HydrophobicContact CD2-CD1 3.83Å; A1306-L1337 HydrophobicContact CB-CD2 4.28Å; L1309-L1337 HydrophobicContact CB-CD2 4.25Å; V1310-L1337 HydrophobicContact CG2-CD2 3.91Å; F1333-L1337 HydrophobicContact CD1-CD1 4.05Å; F1333-L1337 HydrophobicContact CE1-CD1 3.65Å; F1333-L1337 HydrophobicContact CE2-CD1 4.44Å; F1333-L1337 HydrophobicContact CZ-CD1 3.88Å; F1333-L1337 HydrophobicContact CZ-CG 4.49Å; F1333-L1337 WeakPolarHBondContact O-CG 3.34Å; F1333-L1337 PolarHBondContact O-N 3.38Å; V1334-L1337 PolarHBondContact O-N 2.93Å; E1335-L1337 VanDerWaalsContact C-N 3.35Å; E1335-L1337 PolarHBondContact O-N 2.73Å; L1337-R1339 VanDerWaalsContact C-N 3.33Å; L1337-S1340 WeakPolarHBondContact O-CB 3.5Å; L1337-S1340 PolarHBondContact O-N 2.9Å; L1337-S1340 PolarHBondContact O-OG 2.68Å |
| 1338 | G | 77.8 | Confident | 84.8 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.5 | -23.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1334 E1335 S1340 | V1334-G1338 WeakPolarHBondContact O-CA 3.27Å; V1334-G1338 PolarHBondContact O-N 2.88Å; E1335-G1338 CarbonylContact O-C 3.59Å; E1335-G1338 PolarHBondContact O-N 2.89Å; E1335-G1338 VanDerWaalsContact O-N 3.12Å; G1338-S1340 PolarHBondContact O-N 2.89Å; G1338-S1340 VanDerWaalsContact O-N 3.15Å |
| 1339 | R | 77.6 | Confident | 84.9 | Confident | 166 Ų | 166 | 51.8 Ų | 51.8 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -8.2 | 168.9 | -72.4 | 173.2 | -173.1 | -177.5 | 3 | 113.4 | E1335 L1337 | E1335-R1339 WeakPolarHBondContact O-CG 3.36Å; E1335-R1339 PolarHBondContact O-N 3.43Å; E1335-R1339 IonicContact OE1-CZ 3.09Å; E1335-R1339 IonicContact OE1-NE 2.91Å; E1335-R1339 PolarHBondContact OE1-NE 2.91Å; E1335-R1339 IonicContact OE1-NH2 2.7Å; E1335-R1339 PolarHBondContact OE1-NH2 2.93Å; L1337-R1339 VanDerWaalsContact C-N 3.33Å |
| 1340 | S | 74.7 | Confident | 85 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 12% | 0.119 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -89.3 | 146.2 | 173.9 | 77.7 | 0 | 0 | 0 | 0 | 111.6 | L1337 G1338 Y1342 | L1337-S1340 WeakPolarHBondContact O-CB 3.5Å; L1337-S1340 PolarHBondContact O-N 2.9Å; L1337-S1340 PolarHBondContact O-OG 2.68Å; G1338-S1340 PolarHBondContact O-N 2.89Å; G1338-S1340 VanDerWaalsContact O-N 3.15Å; S1340-Y1342 PolarHBondContact O-N 2.85Å |
| 1341 | D | 74.7 | Confident | 85.1 | Confident | 164 Ų | 164 | 54.5 Ų | 54.5 | 88% | 0.877 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 6.5 | 178.4 | -58.8 | -34.1 | 0 | 0 | 0 | 114.1 | ||
| 1342 | Y | 76.7 | Confident | 85.2 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -9 | -172.5 | -58.2 | -65.5 | 0 | 0 | 0 | 114.2 | I1313 K1314 S1340 | I1313-Y1342 HydrophobicContact CG2-CD1 4.28Å; I1313-Y1342 HydrophobicContact CG2-CD2 3.83Å; I1313-Y1342 HydrophobicContact CG2-CE2 4.46Å; I1313-Y1342 HydrophobicContact CG2-CG 3.74Å; K1314-Y1342 HydrophobicContact CB-CE2 4.07Å; K1314-Y1342 WeakPolarHBondContact CG-OH 3.25Å; S1340-Y1342 PolarHBondContact O-N 2.85Å |
| 1343 | V | 78.3 | Confident | 85.2 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | trans | -129.2 | 111 | -178.5 | -162.2 | 0 | 0 | 0 | 0 | 109.9 | V29 L31 N1345 I1364 | V29-V1343 HydrophobicContact CB-CG2 4.03Å; V29-V1343 HydrophobicContact CG1-CG2 4Å; L31-V1343 HydrophobicContact CD1-CB 4.42Å; L31-V1343 HydrophobicContact CD1-CG1 3.82Å; L31-V1343 HydrophobicContact CD1-CG2 4.23Å; L31-V1343 HydrophobicContact CG-CG1 4Å; L31-V1343 HydrophobicContact CG-CG2 4.5Å; V1343-N1345 WeakPolarHBondContact CG1-O 3.44Å; V1343-I1364 HydrophobicContact CB-CD1 3.7Å; V1343-I1364 HydrophobicContact CG1-CD1 3.4Å | ||
| 1344 | E | 82.7 | Confident | 85 | Confident | 154 Ų | 154 | 60.9 Ų | 60.9 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -92 | -36.5 | 175.4 | -64.3 | 176.2 | 178.2 | 0 | 0 | 111.8 | I1364 | E1344-I1364 PolarHBondContact O-N 2.77Š|
| 1345 | N | 88.5 | Confident | 85 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.7 | -172.2 | -58.9 | -78.9 | 0 | 0 | 0 | 110 | F26 V1343 K1361 V1362 P1363 | F26-N1345 HydrophobicContact CE2-CB 4.06Å; F26-N1345 HydrophobicContact CZ-CB 4.41Å; V1343-N1345 WeakPolarHBondContact CG1-O 3.44Å; N1345-K1361 HydrophobicContact CB-CD 4.46Å; N1345-K1361 VanDerWaalsContact CB-CE 3.49Å; N1345-K1361 HydrophobicContact CB-CG 4.11Å; N1345-K1361 VanDerWaalsContact CG-CE 3.4Å; N1345-K1361 WeakPolarHBondContact ND2-CE 3.37Å; N1345-V1362 WeakPolarHBondContact CA-O 3.31Å; N1345-P1363 WeakPolarHBondContact OD1-CA 3.27Å |
| 1346 | F | 91.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 166.2 | 169.2 | 71.3 | -78.1 | 0 | 0 | 0 | 109.8 | L31 L33 L1348 V1362 I1364 H1367 F1368 | L31-F1346 HydrophobicContact CB-CB 3.8Å; L33-F1346 HydrophobicContact CB-CD2 3.82Å; L33-F1346 HydrophobicContact CB-CE2 3.97Å; L33-F1346 HydrophobicContact CD2-CD2 4.37Å; L33-F1346 HydrophobicContact CD2-CE2 3.83Å; F1346-L1348 HydrophobicContact CE2-CB 3.88Å; F1346-L1348 HydrophobicContact CE2-CD1 4.22Å; F1346-V1362 HydrophobicContact CD1-CB 4.29Å; F1346-V1362 VanDerWaalsContact CD1-O 3.28Å; F1346-V1362 WeakPolarHBondContact CD1-O 3.45Å; F1346-V1362 HydrophobicContact CE1-CB 3.67Å; F1346-V1362 HydrophobicContact CE1-CG1 3.68Å; F1346-V1362 HydrophobicContact CE2-CB 4.24Å; F1346-V1362 HydrophobicContact CZ-CB 3.61Å; F1346-V1362 HydrophobicContact CZ-CG1 3.7Å; F1346-V1362 HydrophobicContact CZ-CG2 4.33Å; F1346-V1362 PolarHBondContact N-O 2.88Å; F1346-V1362 PolarHBondContact O-N 3.4Å; F1346-I1364 HydrophobicContact CD1-CG1 3.6Å; F1346-I1364 HydrophobicContact CE1-CG1 4.35Å; F1346-I1364 HydrophobicContact CG-CG1 4.47Å; F1346-H1367 HydrophobicContact CE1-CB 3.85Å; F1346-H1367 HydrophobicContact CZ-CB 3.89Å; F1346-H1367 AromaticContact CZ-CD2 3.26Å; F1346-H1367 WeakPolarHBondContact CZ-CD2 3.26Å; F1346-H1367 AromaticContact CZ-CG 3.76Å; F1346-F1368 HydrophobicContact CE1-CE2 4.44Å |
| 1347 | F | 93 | Very high | 85.6 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.5 | 172.4 | -68.8 | -80.8 | 0 | 0 | 0 | 109.8 | I23 E24 F26 T30 L31 I32 L33 L1349 I1359 R1360 K1361 | I23-F1347 HydrophobicContact CD1-CB 4.44Å; I23-F1347 HydrophobicContact CD1-CD2 3.99Å; I23-F1347 HydrophobicContact CD1-CE2 4.4Å; I23-F1347 HydrophobicContact CD1-CG 4.08Å; I23-F1347 HydrophobicContact CG1-CD1 4.19Å; I23-F1347 HydrophobicContact CG1-CD2 3.96Å; I23-F1347 HydrophobicContact CG1-CE1 4.12Å; I23-F1347 HydrophobicContact CG1-CE2 3.9Å; I23-F1347 HydrophobicContact CG1-CG 4.1Å; I23-F1347 HydrophobicContact CG1-CZ 3.97Å; E24-F1347 HydrophobicContact CB-CZ 4.34Å; E24-F1347 WeakPolarHBondContact O-CE2 3.34Å; E24-F1347 WeakPolarHBondContact O-CZ 3.35Å; F26-F1347 HydrophobicContact CD2-CE2 4.11Å; F26-F1347 HydrophobicContact CE1-CE2 4.16Å; F26-F1347 HydrophobicContact CE1-CZ 4.02Å; F26-F1347 HydrophobicContact CE2-CD2 4.1Å; F26-F1347 AromaticContact CE2-CE2 3.35Å; F26-F1347 HydrophobicContact CE2-CE2 3.35Å; F26-F1347 AromaticContact CE2-CZ 3.86Å; F26-F1347 HydrophobicContact CE2-CZ 3.86Å; F26-F1347 HydrophobicContact CZ-CD2 4.41Å; F26-F1347 HydrophobicContact CZ-CE1 4.38Å; F26-F1347 AromaticContact CZ-CE2 3.36Å; F26-F1347 HydrophobicContact CZ-CE2 3.36Å; F26-F1347 AromaticContact CZ-CZ 3.34Å; F26-F1347 HydrophobicContact CZ-CZ 3.34Å; T30-F1347 HydrophobicContact CG2-CD2 3.82Å; T30-F1347 HydrophobicContact CG2-CE2 3.87Å; L31-F1347 PolarHBondContact O-N 3.32Å; I32-F1347 CarbonylContact C-O 3.55Å; I32-F1347 WeakPolarHBondContact CA-O 3.49Å; I32-F1347 HydrophobicContact CG1-CB 4.42Å; L33-F1347 PolarHBondContact N-O 2.87Å; F1347-L1349 HydrophobicContact CB-CD1 4.47Å; F1347-I1359 HydrophobicContact CB-CG2 4.21Å; F1347-I1359 HydrophobicContact CD1-CG2 3.68Å; F1347-I1359 HydrophobicContact CE1-CG2 4.47Å; F1347-I1359 HydrophobicContact CG-CG2 4.26Å; F1347-R1360 CarbonylContact C-O 3.6Å; F1347-R1360 VanDerWaalsContact CA-O 3.31Å; F1347-R1360 WeakPolarHBondContact CA-O 3.41Å; F1347-K1361 HydrophobicContact CD1-CB 4.14Å; F1347-K1361 HydrophobicContact CE1-CB 3.91Å; F1347-K1361 HydrophobicContact CE1-CG 4.26Å |
| 1348 | L | 93.3 | Very high | 85.9 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.6 | 171.8 | -174.4 | 65.4 | 0 | 0 | 0 | 109.3 | L33 F1346 R1360 V1362 | L33-L1348 HydrophobicContact CB-CD1 4.36Å; L33-L1348 HydrophobicContact CD2-CD1 4.19Å; L33-L1348 HydrophobicContact CG-CD1 4.16Å; L33-L1348 CarbonylContact O-C 3.2Å; L33-L1348 WeakPolarHBondContact O-CA 2.93Å; F1346-L1348 HydrophobicContact CE2-CB 3.88Å; F1346-L1348 HydrophobicContact CE2-CD1 4.22Å; L1348-R1360 PolarHBondContact N-O 3.43Å; L1348-R1360 PolarHBondContact O-N 2.99Å; L1348-V1362 HydrophobicContact CB-CG2 3.85Å; L1348-V1362 HydrophobicContact CD2-CG2 4.41Å |
| 1349 | L | 92.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.9 | 171.9 | -89.4 | 60.8 | 0 | 0 | 0 | 109.2 | I32 L33 T38 K40 V43 F1347 E1358 I1359 | I32-L1349 HydrophobicContact CG2-CD1 3.42Å; I32-L1349 VanDerWaalsContact CG2-CD1 3.42Å; I32-L1349 HydrophobicContact CG2-CD2 4.09Å; I32-L1349 HydrophobicContact CG2-CG 4.33Å; L33-L1349 PolarHBondContact O-N 3.34Å; T38-L1349 WeakPolarHBondContact CB-O 3.33Å; T38-L1349 WeakPolarHBondContact CG2-O 3.48Å; T38-L1349 PolarHBondContact OG1-O 2.97Å; K40-L1349 HydrophobicContact CG-CD2 4.12Å; V43-L1349 HydrophobicContact CG2-CD2 3.99Å; F1347-L1349 HydrophobicContact CB-CD1 4.47Å; L1349-E1358 WeakPolarHBondContact CA-O 3.23Å; L1349-I1359 HydrophobicContact CD1-CB 4.41Å; L1349-I1359 HydrophobicContact CD1-CG1 3.98Å; L1349-I1359 HydrophobicContact CD1-CG2 4.11Å; L1349-I1359 HydrophobicContact CG-CG1 4.13Å |
| 1350 | S | 92.5 | Very high | 87.3 | Confident | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 170.7 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | E1358 | S1350-E1358 PolarHBondContact N-O 2.88Å; S1350-E1358 VanDerWaalsContact N-O 3.09Å; S1350-E1358 PolarHBondContact O-N 2.69Å |
| 1351 | R | 90.6 | Very high | 88.1 | Confident | 140 Ų | 140 | 65.3 Ų | 65.3 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.3 | 165.3 | -68.2 | 179.8 | -174.8 | 166.9 | -0.2 | 109.3 | G37 T38 L1356 | G37-R1351 VanDerWaalsContact C-NH2 3.3Å; G37-R1351 PolarHBondContact O-NE 3.1Å; G37-R1351 PolarHBondContact O-NH2 3.09Å; T38-R1351 HydrophobicContact CG2-CG 4.37Å; R1351-L1356 CarbonylContact C-O 3.51Å; R1351-L1356 VanDerWaalsContact CA-O 3.23Å; R1351-L1356 WeakPolarHBondContact CA-O 3.46Å |
| 1352 | D | 89 | Confident | 88.9 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | trans | -73.6 | -178.2 | 171.9 | 71.1 | 9.7 | 0 | 0 | 0 | 111.4 | Q1354 G1355 L1356 | D1352-Q1354 PolarHBondContact O-N 2.7Å; D1352-Q1354 VanDerWaalsContact O-N 3.15Å; D1352-Q1354 VanDerWaalsContact OD1-CA 3.31Å; D1352-Q1354 WeakPolarHBondContact OD1-CA 3.29Å; D1352-Q1354 WeakPolarHBondContact OD1-CB 3.32Å; D1352-Q1354 PolarHBondContact OD1-N 3.47Å; D1352-G1355 PolarHBondContact O-N 3.01Å; D1352-G1355 PolarHBondContact OD1-N 3.27Å; D1352-L1356 PolarHBondContact N-O 2.91Å; D1352-L1356 PolarHBondContact OD1-N 3.46Å | ||
| 1353 | A | 86.4 | Confident | 89.4 | Confident | 114 Ų | 114 | 57.2 Ų | 57.2 | 94% | 0.942 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1354 | Q | 84 | Confident | 89.7 | Confident | 162 Ų | 162 | 57.3 Ų | 57.3 | 76% | 0.757 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.1 | 176.6 | -59.9 | -178.2 | -7.3 | 0 | 0 | 112.3 | D1352 L1356 | D1352-Q1354 PolarHBondContact O-N 2.7Å; D1352-Q1354 VanDerWaalsContact O-N 3.15Å; D1352-Q1354 VanDerWaalsContact OD1-CA 3.31Å; D1352-Q1354 WeakPolarHBondContact OD1-CA 3.29Å; D1352-Q1354 WeakPolarHBondContact OD1-CB 3.32Å; D1352-Q1354 PolarHBondContact OD1-N 3.47Å; Q1354-L1356 VanDerWaalsContact C-N 3.3Å; Q1354-L1356 HydrophobicContact CB-CD1 4.32Å; Q1354-L1356 HydrophobicContact CB-CG 4.23Å |
| 1355 | G | 85.3 | Confident | 89.4 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 81 | 7.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | D1352 | D1352-G1355 PolarHBondContact O-N 3.01Å; D1352-G1355 PolarHBondContact OD1-N 3.27Å |
| 1356 | L | 90.1 | Very high | 88.8 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | trans | -82.8 | 149.4 | 177.4 | -59.5 | 173.5 | 0 | 0 | 0 | 110.4 | S14 R1351 D1352 Q1354 | S14-L1356 WeakPolarHBondContact O-CA 3.43Å; R1351-L1356 CarbonylContact C-O 3.51Å; R1351-L1356 VanDerWaalsContact CA-O 3.23Å; R1351-L1356 WeakPolarHBondContact CA-O 3.46Å; D1352-L1356 PolarHBondContact N-O 2.91Å; D1352-L1356 PolarHBondContact OD1-N 3.46Å; Q1354-L1356 VanDerWaalsContact C-N 3.3Å; Q1354-L1356 HydrophobicContact CB-CD1 4.32Å; Q1354-L1356 HydrophobicContact CB-CG 4.23Å | ||
| 1357 | S | 92.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.7 | -178.8 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | S14 Q21 T38 | S14-S1357 WeakPolarHBondContact CB-OG 3.39Å; S14-S1357 PolarHBondContact O-N 3.35Å; S14-S1357 PolarHBondContact OG-OG 3.06Å; Q21-S1357 WeakPolarHBondContact CG-O 3.3Å; T38-S1357 VanDerWaalsContact O-CB 3.27Å; T38-S1357 WeakPolarHBondContact O-CB 3.17Å; T38-S1357 PolarHBondContact O-OG 3.15Å |
| 1358 | E | 92.4 | Very high | 87.4 | Confident | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.6 | 178.6 | -167 | -169.9 | 160.9 | 0 | 0 | 109.3 | L1349 S1350 R1360 | L1349-E1358 WeakPolarHBondContact CA-O 3.23Å; S1350-E1358 PolarHBondContact N-O 2.88Å; S1350-E1358 VanDerWaalsContact N-O 3.09Å; S1350-E1358 PolarHBondContact O-N 2.69Å; E1358-R1360 VanDerWaalsContact CD-NE 3.3Å; E1358-R1360 HydrophobicContact CG-CG 4.48Å; E1358-R1360 IonicContact OE1-CZ 2.85Å; E1358-R1360 IonicContact OE1-NE 3.86Å; E1358-R1360 PolarHBondContact OE1-NE 3.15Å; E1358-R1360 IonicContact OE1-NH2 3.34Å; E1358-R1360 PolarHBondContact OE1-NH2 3Å; E1358-R1360 IonicContact OE2-CZ 3.2Å; E1358-R1360 IonicContact OE2-NE 2.8Å; E1358-R1360 PolarHBondContact OE2-NE 2.86Å; E1358-R1360 IonicContact OE2-NH2 2.66Å; E1358-R1360 PolarHBondContact OE2-NH2 2.85Å |
| 1359 | I | 93.3 | Very high | 85.9 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.2 | 179.3 | -56.9 | 178.8 | 0 | 0 | 0 | 108.7 | F15 Q21 I23 F1347 L1349 | F15-I1359 HydrophobicContact CE1-CD1 3.98Å; F15-I1359 HydrophobicContact CE1-CG1 4Å; F15-I1359 HydrophobicContact CZ-CD1 4.29Å; Q21-I1359 HydrophobicContact CB-CD1 4.03Å; Q21-I1359 HydrophobicContact CB-CG1 4.19Å; I23-I1359 HydrophobicContact CB-CD1 4.22Å; F1347-I1359 HydrophobicContact CB-CG2 4.21Å; F1347-I1359 HydrophobicContact CD1-CG2 3.68Å; F1347-I1359 HydrophobicContact CE1-CG2 4.47Å; F1347-I1359 HydrophobicContact CG-CG2 4.26Å; L1349-I1359 HydrophobicContact CD1-CB 4.41Å; L1349-I1359 HydrophobicContact CD1-CG1 3.98Å; L1349-I1359 HydrophobicContact CD1-CG2 4.11Å; L1349-I1359 HydrophobicContact CG-CG1 4.13Å |
| 1360 | R | 91.7 | Very high | 85.6 | Confident | 127 Ų | 127 | 73.4 Ų | 73.4 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.2 | 175.8 | -63 | -175.2 | -176.9 | 170.2 | 9.3 | 110.7 | F1347 L1348 E1358 V1362 | F1347-R1360 CarbonylContact C-O 3.6Å; F1347-R1360 VanDerWaalsContact CA-O 3.31Å; F1347-R1360 WeakPolarHBondContact CA-O 3.41Å; L1348-R1360 PolarHBondContact N-O 3.43Å; L1348-R1360 PolarHBondContact O-N 2.99Å; E1358-R1360 VanDerWaalsContact CD-NE 3.3Å; E1358-R1360 HydrophobicContact CG-CG 4.48Å; E1358-R1360 IonicContact OE1-CZ 2.85Å; E1358-R1360 IonicContact OE1-NE 3.86Å; E1358-R1360 PolarHBondContact OE1-NE 3.15Å; E1358-R1360 IonicContact OE1-NH2 3.34Å; E1358-R1360 PolarHBondContact OE1-NH2 3Å; E1358-R1360 IonicContact OE2-CZ 3.2Å; E1358-R1360 IonicContact OE2-NE 2.8Å; E1358-R1360 PolarHBondContact OE2-NE 2.86Å; E1358-R1360 IonicContact OE2-NH2 2.66Å; E1358-R1360 PolarHBondContact OE2-NH2 2.85Å; R1360-V1362 HydrophobicContact CB-CG2 4.5Å |
| 1361 | K | 91.7 | Very high | 85.2 | Confident | 109 Ų | 109 | 75.7 Ų | 75.7 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.7 | 171.5 | -176.3 | 177.8 | 176.2 | 174.9 | 0 | 108.4 | F26 N1345 F1347 | F26-K1361 HydrophobicContact CZ-CD 3.88Å; F26-K1361 VanDerWaalsContact CZ-CE 3.43Å; F26-K1361 HydrophobicContact CZ-CG 4.36Å; N1345-K1361 HydrophobicContact CB-CD 4.46Å; N1345-K1361 VanDerWaalsContact CB-CE 3.49Å; N1345-K1361 HydrophobicContact CB-CG 4.11Å; N1345-K1361 VanDerWaalsContact CG-CE 3.4Å; N1345-K1361 WeakPolarHBondContact ND2-CE 3.37Å; F1347-K1361 HydrophobicContact CD1-CB 4.14Å; F1347-K1361 HydrophobicContact CE1-CB 3.91Å; F1347-K1361 HydrophobicContact CE1-CG 4.26Å |
| 1362 | V | 90.8 | Very high | 84.9 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.8 | -176.1 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | N1345 F1346 L1348 R1360 H1367 | N1345-V1362 WeakPolarHBondContact CA-O 3.31Å; F1346-V1362 HydrophobicContact CD1-CB 4.29Å; F1346-V1362 VanDerWaalsContact CD1-O 3.28Å; F1346-V1362 WeakPolarHBondContact CD1-O 3.45Å; F1346-V1362 HydrophobicContact CE1-CB 3.67Å; F1346-V1362 HydrophobicContact CE1-CG1 3.68Å; F1346-V1362 HydrophobicContact CE2-CB 4.24Å; F1346-V1362 HydrophobicContact CZ-CB 3.61Å; F1346-V1362 HydrophobicContact CZ-CG1 3.7Å; F1346-V1362 HydrophobicContact CZ-CG2 4.33Å; F1346-V1362 PolarHBondContact N-O 2.88Å; F1346-V1362 PolarHBondContact O-N 3.4Å; L1348-V1362 HydrophobicContact CB-CG2 3.85Å; L1348-V1362 HydrophobicContact CD2-CG2 4.41Å; R1360-V1362 HydrophobicContact CB-CG2 4.5Å; V1362-H1367 HydrophobicContact CG1-CB 4.15Å |
| 1363 | P | 87.8 | Confident | 84.7 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 136.5 | 170.6 | -19.6 | 33.1 | 0 | 0 | 0 | 111.2 | N1345 G1365 E1366 | N1345-P1363 WeakPolarHBondContact OD1-CA 3.27Å; P1363-G1365 VanDerWaalsContact C-N 3.3Å; P1363-G1365 PolarHBondContact O-N 2.74Å; P1363-E1366 HydrophobicContact CB-CB 4.41Å; P1363-E1366 HydrophobicContact CB-CG 4.16Å; P1363-E1366 HydrophobicContact CG-CG 4.33Å; P1363-E1366 PolarHBondContact O-N 3.09Å |
| 1364 | I | 83.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | -179.4 | -74.5 | -178 | 0 | 0 | 0 | 111.4 | L31 V1343 E1344 F1346 E1366 H1367 F1368 | L31-I1364 HydrophobicContact CD1-CD1 4.43Å; V1343-I1364 HydrophobicContact CB-CD1 3.7Å; V1343-I1364 HydrophobicContact CG1-CD1 3.4Å; E1344-I1364 PolarHBondContact O-N 2.77Å; F1346-I1364 HydrophobicContact CD1-CG1 3.6Å; F1346-I1364 HydrophobicContact CE1-CG1 4.35Å; F1346-I1364 HydrophobicContact CG-CG1 4.47Å; I1364-E1366 PolarHBondContact O-N 2.76Å; I1364-H1367 PolarHBondContact O-N 3.26Å; I1364-F1368 HydrophobicContact CG2-CD2 4.22Å; I1364-F1368 PolarHBondContact O-N 3.39Å |
| 1365 | G | 76.8 | Confident | 84.6 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70 | -8.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1363 H1369 | P1363-G1365 VanDerWaalsContact C-N 3.3Å; P1363-G1365 PolarHBondContact O-N 2.74Å; G1365-H1369 WeakPolarHBondContact O-CB 3.27Å |
| 1366 | E | 76.8 | Confident | 84.5 | Confident | 145 Ų | 145 | 66.4 Ų | 66.4 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -98.1 | -16.2 | 173.9 | -70.3 | -178.5 | 176.5 | 0 | 0 | 112.8 | P1363 I1364 | P1363-E1366 HydrophobicContact CB-CB 4.41Å; P1363-E1366 HydrophobicContact CB-CG 4.16Å; P1363-E1366 HydrophobicContact CG-CG 4.33Å; P1363-E1366 PolarHBondContact O-N 3.09Å; I1364-E1366 PolarHBondContact O-N 2.76Å |
| 1367 | H | 79.1 | Confident | 84.1 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -98.4 | -39.7 | -174.2 | -164.4 | 35.5 | 0 | 0 | 0 | 113.2 | F1346 V1362 I1364 | F1346-H1367 HydrophobicContact CE1-CB 3.85Å; F1346-H1367 HydrophobicContact CZ-CB 3.89Å; F1346-H1367 AromaticContact CZ-CD2 3.26Å; F1346-H1367 WeakPolarHBondContact CZ-CD2 3.26Å; F1346-H1367 AromaticContact CZ-CG 3.76Å; V1362-H1367 HydrophobicContact CG1-CB 4.15Å; I1364-H1367 PolarHBondContact O-N 3.26Å |
| 1368 | F | 76.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | trans | -102.9 | -6.6 | -177.3 | -63.3 | -78.5 | 0 | 0 | 0 | 113.4 | L33 E1331 V1334 E1335 F1346 I1364 | L33-F1368 HydrophobicContact CD2-CZ 4.39Å; E1331-F1368 HydrophobicContact CB-CE1 4.07Å; E1331-F1368 HydrophobicContact CG-CE1 4.46Å; V1334-F1368 HydrophobicContact CB-CE2 4.45Å; V1334-F1368 HydrophobicContact CB-CZ 4.06Å; V1334-F1368 HydrophobicContact CG1-CE2 3.73Å; V1334-F1368 HydrophobicContact CG1-CZ 3.81Å; E1335-F1368 HydrophobicContact CB-CD1 4.15Å; E1335-F1368 HydrophobicContact CB-CE1 4.23Å; E1335-F1368 HydrophobicContact CG-CB 4.41Å; E1335-F1368 HydrophobicContact CG-CD1 4.18Å; E1335-F1368 HydrophobicContact CG-CG 4.29Å; F1346-F1368 HydrophobicContact CE1-CE2 4.44Å; I1364-F1368 HydrophobicContact CG2-CD2 4.22Å; I1364-F1368 PolarHBondContact O-N 3.39Å | ||
| 1369 | H | 61.2 | Low | 82.6 | Confident | 190 Ų | 190 | 76.5 Ų | 76.5 | 88% | 0.88 | 38% | 0.376 | S | S | * | . | trans | -127.8 | 0 | 175.9 | -58.8 | -37.6 | 0 | 0 | 0 | 109.1 | G1365 | G1365-H1369 WeakPolarHBondContact O-CB 3.27Š|
Retrieved 1,369 of 1,369 residues in 2730.5 ms
(Link to these results)