| 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 | 47.6 | Very low | 74.2 | Confident | 198 Ų | 198 | 97.6 Ų | 97.6 | 98% | 0.975 | 53% | 0.533 | S | S | * | . | 0 | 131.1 | 0 | -78.9 | 163.7 | -177.7 | 0 | 0 | 106 | E3 | M1-E3 PolarHBondContact O-N 3.06Š| |||
| 2 | A | 50.3 | Low | 75.2 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | trans | -71.6 | 99.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | L4 F117 | A2-L4 PolarHBondContact O-N 2.98Å; A2-F117 HydrophobicContact CB-CD2 4.03Å; A2-F117 WeakPolarHBondContact O-CD2 3.45Å; A2-F117 WeakPolarHBondContact O-CE2 3.4Å | ||
| 3 | E | 63.7 | Low | 76.2 | Confident | 150 Ų | 150 | 96.2 Ų | 96.2 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | -77.8 | 121.7 | 178.8 | -74.2 | 176.3 | -179.5 | 0 | 0 | 108 | M1 G5 | M1-E3 PolarHBondContact O-N 3.06Å; E3-G5 PolarHBondContact O-N 2.91Å | ||
| 4 | L | 70.1 | Confident | 77.2 | Confident | 59 Ų | 59 | 92.6 Ų | 92.6 | 31% | 0.309 | 50% | 0.501 | S | S | . | . | trans | -65 | 10.8 | 174.9 | -77.7 | 150.4 | 0 | 0 | 0 | 113.1 | A2 L6 V14 M18 I114 F117 | A2-L4 PolarHBondContact O-N 2.98Å; L4-L6 HydrophobicContact CB-CD1 4.14Å; L4-L6 HydrophobicContact CB-CG 4.14Å; L4-L6 PolarHBondContact O-N 3.29Å; L4-V14 HydrophobicContact CD1-CG1 3.98Å; L4-M18 HydrophobicContact CD1-CE 4.25Å; L4-I114 HydrophobicContact CD2-CG1 4.5Å; L4-F117 HydrophobicContact CD1-CD1 3.98Å; L4-F117 HydrophobicContact CD1-CD2 4.2Å; L4-F117 HydrophobicContact CD1-CE1 3.63Å; L4-F117 HydrophobicContact CD1-CE2 3.88Å; L4-F117 HydrophobicContact CD1-CG 4.25Å; L4-F117 HydrophobicContact CD1-CZ 3.57Å; L4-F117 HydrophobicContact CG-CD2 4.24Å; L4-F117 HydrophobicContact CG-CE2 4.26Å; L4-F117 HydrophobicContact CG-CG 4.41Å; L4-F117 HydrophobicContact CG-CZ 4.43Å | ||
| 5 | G | 75.7 | Confident | 78 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 78% | 0.784 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 67.8 | 15.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E3 | E3-G5 PolarHBondContact O-N 2.91Š|
| 6 | L | 81.3 | Confident | 78.8 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -104.2 | 155.7 | -176.3 | -62.9 | 178.1 | 0 | 0 | 0 | 111.6 | L4 H10 V14 | L4-L6 HydrophobicContact CB-CD1 4.14Å; L4-L6 HydrophobicContact CB-CG 4.14Å; L4-L6 PolarHBondContact O-N 3.29Å; L6-H10 HydrophobicContact CB-CB 4.19Å; L6-H10 HydrophobicContact CD1-CB 4.49Å; L6-V14 HydrophobicContact CD1-CG2 3.92Å |
| 7 | N | 86.4 | Confident | 79.6 | Confident | 108 Ų | 108 | 85.9 Ų | 85.9 | 58% | 0.578 | 46% | 0.458 | S | S | * | . | trans | -60.2 | 148.5 | 168.9 | -173.3 | 6.6 | 0 | 0 | 0 | 110.4 | H9 H10 Q11 | N7-H9 PolarHBondContact O-N 2.81Å; N7-H9 VanDerWaalsContact O-N 3.14Å; N7-H10 CarbonylContact O-C 3.57Å; N7-H10 WeakPolarHBondContact O-CA 3.47Å; N7-H10 PolarHBondContact O-N 2.85Å; N7-Q11 PolarHBondContact O-N 3.29Å | ||
| 8 | E | 83.8 | Confident | 80.2 | Confident | 144 Ų | 144 | 82.3 Ų | 82.3 | 67% | 0.673 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -49.9 | -43 | -178.1 | -173.5 | -177.4 | 178.2 | 0 | 0 | 112.5 | Q11 N12 | E8-Q11 PolarHBondContact O-N 3.49Å; E8-N12 WeakPolarHBondContact O-CB 3.2Å; E8-N12 PolarHBondContact O-N 2.86Å; E8-N12 PolarHBondContact O-ND2 2.96Å; E8-N12 VanDerWaalsContact O-ND2 3.16Å |
| 9 | H | 84.2 | Confident | 80.7 | Confident | 74 Ų | 74 | 84.7 Ų | 84.7 | 34% | 0.343 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 174.9 | 174.8 | -104.9 | 0 | 0 | 0 | 112.4 | N7 Q11 N12 E13 I141 | N7-H9 PolarHBondContact O-N 2.81Å; N7-H9 VanDerWaalsContact O-N 3.14Å; H9-Q11 VanDerWaalsContact C-N 3.34Å; H9-N12 PolarHBondContact O-N 2.85Å; H9-E13 PolarHBondContact O-N 3.3Å; H9-I141 HydrophobicContact CB-CD1 4.4Å; H9-I141 WeakPolarHBondContact CD2-CD1 3.11Å; H9-I141 VanDerWaalsContact NE2-CD1 3.33Å; H9-I141 WeakPolarHBondContact NE2-CD1 2.98Å |
| 10 | H | 85.8 | Confident | 81.3 | Confident | 102 Ų | 102 | 85.4 Ų | 85.4 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.4 | -33.8 | 180 | -63.8 | 156 | 0 | 0 | 0 | 111.8 | L6 N7 E13 V14 | L6-H10 HydrophobicContact CB-CB 4.19Å; L6-H10 HydrophobicContact CD1-CB 4.49Å; N7-H10 CarbonylContact O-C 3.57Å; N7-H10 WeakPolarHBondContact O-CA 3.47Å; N7-H10 PolarHBondContact O-N 2.85Å; H10-E13 PolarHBondContact O-N 3.37Å; H10-V14 VanDerWaalsContact O-CG2 3.27Å; H10-V14 WeakPolarHBondContact O-CG2 3.33Å; H10-V14 PolarHBondContact O-N 2.79Å |
| 11 | Q | 87.3 | Confident | 81.7 | Confident | 24 Ų | 24 | 83 Ų | 83 | 11% | 0.112 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 172.9 | -175.8 | 166.9 | -13.9 | 0 | 0 | 111.3 | N7 E8 H9 V14 I15 | N7-Q11 PolarHBondContact O-N 3.29Å; E8-Q11 PolarHBondContact O-N 3.49Å; H9-Q11 VanDerWaalsContact C-N 3.34Å; Q11-V14 PolarHBondContact O-N 2.83Å; Q11-I15 HydrophobicContact CG-CD1 4.18Å; Q11-I15 VanDerWaalsContact O-CG1 3.29Å; Q11-I15 WeakPolarHBondContact O-CG1 3.25Å; Q11-I15 PolarHBondContact O-N 3.45Å |
| 12 | N | 86.8 | Confident | 83.8 | Confident | 77 Ų | 77 | 79.1 Ų | 79.1 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.9 | -76.1 | -36.3 | 0 | 0 | 0 | 112.5 | E8 H9 I15 N16 | E8-N12 WeakPolarHBondContact O-CB 3.2Å; E8-N12 PolarHBondContact O-N 2.86Å; E8-N12 PolarHBondContact O-ND2 2.96Å; E8-N12 VanDerWaalsContact O-ND2 3.16Å; H9-N12 PolarHBondContact O-N 2.85Å; N12-I15 PolarHBondContact O-N 3.44Å; N12-N16 VanDerWaalsContact O-CG 3.29Å; N12-N16 PolarHBondContact O-N 2.83Å; N12-N16 PolarHBondContact O-ND2 3.19Å |
| 13 | E | 88.3 | Confident | 85.7 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.2 | -74.4 | -57.5 | 115.1 | 0 | 0 | 112.3 | H9 H10 N16 Y17 | H9-E13 PolarHBondContact O-N 3.3Å; H10-E13 PolarHBondContact O-N 3.37Å; E13-N16 WeakPolarHBondContact O-CB 3.23Å; E13-N16 PolarHBondContact O-N 3.38Å; E13-N16 PolarHBondContact OE1-ND2 2.91Å; E13-Y17 PolarHBondContact O-N 2.79Å |
| 14 | V | 90.1 | Very high | 87 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L4 L6 H10 Q11 N16 Y17 M18 | L4-V14 HydrophobicContact CD1-CG1 3.98Å; L6-V14 HydrophobicContact CD1-CG2 3.92Å; H10-V14 VanDerWaalsContact O-CG2 3.27Å; H10-V14 WeakPolarHBondContact O-CG2 3.33Å; H10-V14 PolarHBondContact O-N 2.79Å; Q11-V14 PolarHBondContact O-N 2.83Å; V14-N16 VanDerWaalsContact C-N 3.33Å; V14-N16 PolarHBondContact O-N 2.73Å; V14-Y17 PolarHBondContact O-N 3.38Å; V14-M18 HydrophobicContact CG1-CE 3.34Å; V14-M18 HydrophobicContact CG1-CG 4.44Å; V14-M18 WeakPolarHBondContact O-CG 3.16Å; V14-M18 PolarHBondContact O-N 2.83Å |
| 15 | I | 89.5 | Confident | 88 | Confident | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.056 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.8 | -69 | 164.5 | 0 | 0 | 0 | 111.2 | Q11 N12 M18 R19 F117 | Q11-I15 HydrophobicContact CG-CD1 4.18Å; Q11-I15 VanDerWaalsContact O-CG1 3.29Å; Q11-I15 WeakPolarHBondContact O-CG1 3.25Å; Q11-I15 PolarHBondContact O-N 3.45Å; N12-I15 PolarHBondContact O-N 3.44Å; I15-M18 PolarHBondContact O-N 2.78Å; I15-R19 WeakPolarHBondContact O-CG 3.17Å; I15-R19 PolarHBondContact O-N 3.46Å; I15-F117 HydrophobicContact CD1-CZ 4.13Å; I15-F117 HydrophobicContact CG1-CE1 3.98Å; I15-F117 HydrophobicContact CG1-CZ 3.88Å |
| 16 | N | 89.4 | Confident | 88.7 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.7 | -73.9 | -26.2 | 0 | 0 | 0 | 111.6 | N12 E13 V14 R19 F20 | N12-N16 VanDerWaalsContact O-CG 3.29Å; N12-N16 PolarHBondContact O-N 2.83Å; N12-N16 PolarHBondContact O-ND2 3.19Å; E13-N16 WeakPolarHBondContact O-CB 3.23Å; E13-N16 PolarHBondContact O-N 3.38Å; E13-N16 PolarHBondContact OE1-ND2 2.91Å; V14-N16 VanDerWaalsContact C-N 3.33Å; V14-N16 PolarHBondContact O-N 2.73Å; N16-R19 WeakPolarHBondContact O-CB 3.49Å; N16-R19 PolarHBondContact O-N 2.87Å; N16-F20 PolarHBondContact O-N 3.45Å |
| 17 | Y | 93 | Very high | 89.2 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.5 | 176.3 | -97.2 | 0 | 0 | 0 | 111.9 | E13 V14 R19 F20 A21 N80 L83 | E13-Y17 PolarHBondContact O-N 2.79Å; V14-Y17 PolarHBondContact O-N 3.38Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 2.87Å; Y17-F20 HydrophobicContact CD2-CD1 4.43Å; Y17-F20 HydrophobicContact CE2-CD1 4.43Å; Y17-F20 WeakPolarHBondContact O-CB 3.49Å; Y17-F20 PolarHBondContact O-N 3.45Å; Y17-A21 HydrophobicContact CE1-CB 4.44Å; Y17-A21 WeakPolarHBondContact O-CB 3.35Å; Y17-A21 PolarHBondContact O-N 3.2Å; Y17-N80 PolarHBondContact OH-OD1 2.88Å; Y17-L83 HydrophobicContact CD2-CD2 3.81Å; Y17-L83 HydrophobicContact CE2-CD2 3.79Å; Y17-L83 HydrophobicContact CG-CD2 4.22Å |
| 18 | M | 90.2 | Very high | 89.4 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 175.3 | -69.3 | -172 | -161 | 0 | 0 | 112.2 | L4 V14 I15 A21 R22 I114 F117 E118 F122 | L4-M18 HydrophobicContact CD1-CE 4.25Å; V14-M18 HydrophobicContact CG1-CE 3.34Å; V14-M18 HydrophobicContact CG1-CG 4.44Å; V14-M18 WeakPolarHBondContact O-CG 3.16Å; V14-M18 PolarHBondContact O-N 2.83Å; I15-M18 PolarHBondContact O-N 2.78Å; M18-A21 PolarHBondContact O-N 2.83Å; M18-R22 VanDerWaalsContact O-CB 3.27Å; M18-R22 WeakPolarHBondContact O-CB 3.34Å; M18-R22 PolarHBondContact O-N 2.8Å; M18-I114 HydrophobicContact CE-CG2 4.22Å; M18-F117 HydrophobicContact CE-CD1 3.35Å; M18-F117 HydrophobicContact CE-CE1 3.48Å; M18-F117 VanDerWaalsContact CE-CE1 3.48Å; M18-F117 HydrophobicContact SD-CD1 3.66Å; M18-F117 HydrophobicContact SD-CE1 3.74Å; M18-E118 HydrophobicContact SD-CB 4.37Å; M18-F122 HydrophobicContact CB-CE2 4.17Å; M18-F122 HydrophobicContact CB-CZ 4.27Å |
| 19 | R | 90.4 | Very high | 89.9 | Confident | 129 Ų | 129 | 74.4 Ų | 74.4 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 173.7 | -75.9 | 177 | -172.2 | 177.8 | 1.9 | 111.7 | I15 N16 Y17 R22 S23 F122 | I15-R19 WeakPolarHBondContact O-CG 3.17Å; I15-R19 PolarHBondContact O-N 3.46Å; N16-R19 WeakPolarHBondContact O-CB 3.49Å; N16-R19 PolarHBondContact O-N 2.87Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 2.87Å; R19-R22 PolarHBondContact O-N 2.84Å; R19-S23 WeakPolarHBondContact O-CB 3.34Å; R19-S23 PolarHBondContact O-N 3.36Å; R19-F122 HydrophobicContact CB-CZ 4.37Å; R19-F122 HydrophobicContact CG-CE1 3.32Å; R19-F122 HydrophobicContact CG-CZ 3.43Å; R19-F122 VanDerWaalsContact CG-CZ 3.43Å |
| 20 | F | 91.8 | Very high | 90.4 | Very high | 97 Ų | 97 | 77.9 Ų | 77.9 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 177 | 167.4 | -93.9 | 0 | 0 | 0 | 111.3 | N16 Y17 R22 S23 K24 T79 | N16-F20 PolarHBondContact O-N 3.45Å; Y17-F20 HydrophobicContact CD2-CD1 4.43Å; Y17-F20 HydrophobicContact CE2-CD1 4.43Å; Y17-F20 WeakPolarHBondContact O-CB 3.49Å; Y17-F20 PolarHBondContact O-N 3.45Å; F20-R22 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-N 2.99Å; F20-K24 HydrophobicContact CD2-CG 4.43Å; F20-K24 HydrophobicContact CE1-CG 4.05Å; F20-K24 HydrophobicContact CE2-CD 4.47Å; F20-K24 HydrophobicContact CE2-CG 3.99Å; F20-K24 HydrophobicContact CZ-CD 4.34Å; F20-K24 HydrophobicContact CZ-CG 3.79Å; F20-K24 WeakPolarHBondContact O-CG 3.23Å; F20-K24 PolarHBondContact O-N 2.89Å; F20-T79 HydrophobicContact CE1-CG2 3.93Å; F20-T79 HydrophobicContact CZ-CG2 4.38Å |
| 21 | A | 91.1 | Very high | 90.7 | Very high | 37 Ų | 37 | 75 Ų | 75 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y17 M18 K24 R25 | Y17-A21 HydrophobicContact CE1-CB 4.44Å; Y17-A21 WeakPolarHBondContact O-CB 3.35Å; Y17-A21 PolarHBondContact O-N 3.2Å; M18-A21 PolarHBondContact O-N 2.83Å; A21-K24 PolarHBondContact O-N 3.36Å; A21-R25 WeakPolarHBondContact O-CB 3.44Å; A21-R25 PolarHBondContact O-N 2.84Å |
| 22 | R | 90.1 | Very high | 91.1 | Very high | 116 Ų | 116 | 75.4 Ų | 75.4 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.6 | 178 | 172.2 | 174.8 | 168.6 | -2.1 | 112.7 | M18 R19 F20 R25 G26 F122 | M18-R22 VanDerWaalsContact O-CB 3.27Å; M18-R22 WeakPolarHBondContact O-CB 3.34Å; M18-R22 PolarHBondContact O-N 2.8Å; R19-R22 PolarHBondContact O-N 2.84Å; F20-R22 PolarHBondContact O-N 2.9Å; R22-R25 PolarHBondContact O-N 2.81Å; R22-G26 PolarHBondContact O-N 2.83Å; R22-F122 VanDerWaalsContact NH1-CG 3.26Å |
| 23 | S | 90 | Very high | 91.5 | Very high | 87 Ų | 87 | 76.7 Ų | 76.7 | 61% | 0.608 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | R19 F20 G26 L27 | R19-S23 WeakPolarHBondContact O-CB 3.34Å; R19-S23 PolarHBondContact O-N 3.36Å; F20-S23 PolarHBondContact O-N 2.99Å; S23-G26 PolarHBondContact O-N 2.91Å; S23-L27 PolarHBondContact O-N 3.28Å |
| 24 | K | 91.3 | Very high | 91.8 | Very high | 74 Ų | 74 | 74 Ų | 74 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.9 | -51.1 | 173.9 | -76.3 | -70.9 | -172.2 | 173.6 | 0 | 111.6 | F20 A21 G26 L27 R28 | F20-K24 HydrophobicContact CD2-CG 4.43Å; F20-K24 HydrophobicContact CE1-CG 4.05Å; F20-K24 HydrophobicContact CE2-CD 4.47Å; F20-K24 HydrophobicContact CE2-CG 3.99Å; F20-K24 HydrophobicContact CZ-CD 4.34Å; F20-K24 HydrophobicContact CZ-CG 3.79Å; F20-K24 WeakPolarHBondContact O-CG 3.23Å; F20-K24 PolarHBondContact O-N 2.89Å; A21-K24 PolarHBondContact O-N 3.36Å; K24-G26 VanDerWaalsContact C-N 3.26Å; K24-G26 PolarHBondContact O-N 3.03Å; K24-L27 WeakPolarHBondContact O-CB 3.31Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-R28 VanDerWaalsContact O-CG 3.31Å; K24-R28 WeakPolarHBondContact O-CG 3.47Å; K24-R28 PolarHBondContact O-N 3.39Å |
| 25 | R | 91.5 | Very high | 92 | Very high | 126 Ų | 126 | 72.9 Ų | 72.9 | 48% | 0.475 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -51.8 | -45.4 | 175 | -176.7 | 174.1 | 62.4 | -156.1 | -6.7 | 111.8 | A21 R22 R28 L29 E118 | A21-R25 WeakPolarHBondContact O-CB 3.44Å; A21-R25 PolarHBondContact O-N 2.84Å; R22-R25 PolarHBondContact O-N 2.81Å; R25-R28 PolarHBondContact O-N 3.39Å; R25-L29 WeakPolarHBondContact O-CG 3.17Å; R25-L29 PolarHBondContact O-N 3.42Å; R25-E118 IonicContact CZ-OE1 3.83Å; R25-E118 IonicContact NH1-OE1 3.99Å; R25-E118 IonicContact NH1-OE2 2.75Å; R25-E118 IonicContact NH2-OE1 3.96Å; R25-E118 PolarHBondContact NH2-OE1 3.44Å; R25-E118 IonicContact NH2-OE2 3.72Å |
| 26 | G | 91.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 76.3 Ų | 76.3 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R22 S23 K24 R28 K30 | R22-G26 PolarHBondContact O-N 2.83Å; S23-G26 PolarHBondContact O-N 2.91Å; K24-G26 VanDerWaalsContact C-N 3.26Å; K24-G26 PolarHBondContact O-N 3.03Å; G26-R28 VanDerWaalsContact C-N 3.35Å; G26-K30 WeakPolarHBondContact O-CG 3.33Å; G26-K30 PolarHBondContact O-N 2.8Å |
| 27 | L | 90.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 76.8 Ų | 76.8 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.4 | -179.1 | 64.1 | 0 | 0 | 0 | 111.4 | S23 K24 K30 T31 | S23-L27 PolarHBondContact O-N 3.28Å; K24-L27 WeakPolarHBondContact O-CB 3.31Å; K24-L27 PolarHBondContact O-N 3.14Å; L27-K30 WeakPolarHBondContact O-CB 3.49Å; L27-K30 PolarHBondContact O-N 3.3Å; L27-T31 PolarHBondContact O-N 3.47Å; L27-T31 PolarHBondContact O-OG1 3Å |
| 28 | R | 90.6 | Very high | 92.5 | Very high | 64 Ų | 64 | 77.8 Ų | 77.8 | 24% | 0.242 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.9 | -40.2 | -178 | -62 | -60 | -179.2 | -176.3 | 13.1 | 113.4 | K24 R25 G26 K30 T31 V32 E68 E72 N75 | K24-R28 VanDerWaalsContact O-CG 3.31Å; K24-R28 WeakPolarHBondContact O-CG 3.47Å; K24-R28 PolarHBondContact O-N 3.39Å; R25-R28 PolarHBondContact O-N 3.39Å; G26-R28 VanDerWaalsContact C-N 3.35Å; R28-K30 VanDerWaalsContact C-N 3.26Å; R28-K30 PolarHBondContact O-N 3.1Å; R28-T31 WeakPolarHBondContact O-CB 3.28Å; R28-T31 PolarHBondContact O-N 3Å; R28-T31 VanDerWaalsContact O-N 3.12Å; R28-V32 WeakPolarHBondContact O-CG2 3.33Å; R28-V32 PolarHBondContact O-N 3.15Å; R28-E68 IonicContact NH1-OE1 3.54Å; R28-E72 HydrophobicContact CB-CG 4.46Å; R28-E72 HydrophobicContact CG-CG 3.74Å; R28-E72 VanDerWaalsContact CG-OE1 3.27Å; R28-E72 WeakPolarHBondContact CG-OE1 3.44Å; R28-E72 IonicContact CZ-OE1 3.05Å; R28-E72 IonicContact CZ-OE2 2.81Å; R28-E72 IonicContact NE-OE1 2.73Å; R28-E72 PolarHBondContact NE-OE1 2.88Å; R28-E72 IonicContact NE-OE2 3.41Å; R28-E72 PolarHBondContact NE-OE2 2.99Å; R28-E72 IonicContact NH2-OE1 3.02Å; R28-E72 IonicContact NH2-OE2 3.61Å; R28-E72 PolarHBondContact NH2-OE2 3.29Å; R28-N75 PolarHBondContact NH2-ND2 2.84Å |
| 29 | L | 93.3 | Very high | 92.6 | Very high | 106 Ų | 106 | 78 Ų | 78 | 56% | 0.555 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.9 | -42.2 | 171.8 | -69.1 | 175.1 | 0 | 0 | 0 | 111.1 | R25 T31 V32 D33 | R25-L29 WeakPolarHBondContact O-CG 3.17Å; R25-L29 PolarHBondContact O-N 3.42Å; L29-T31 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 2.75Å; L29-D33 VanDerWaalsContact O-CG 3.28Å; L29-D33 PolarHBondContact O-N 3.08Å |
| 30 | K | 95 | Very high | 92.7 | Very high | 147 Ų | 147 | 77.4 Ų | 77.4 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.7 | -37.5 | 174.8 | -68.9 | 176.6 | 178.9 | -175.3 | 0 | 113.2 | G26 L27 R28 D33 A34 | G26-K30 WeakPolarHBondContact O-CG 3.33Å; G26-K30 PolarHBondContact O-N 2.8Å; L27-K30 WeakPolarHBondContact O-CB 3.49Å; L27-K30 PolarHBondContact O-N 3.3Å; R28-K30 VanDerWaalsContact C-N 3.26Å; R28-K30 PolarHBondContact O-N 3.1Å; K30-D33 PolarHBondContact O-N 3.5Å; K30-A34 WeakPolarHBondContact O-CB 3.35Å; K30-A34 PolarHBondContact O-N 3.2Å |
| 31 | T | 93.5 | Very high | 92.7 | Very high | 43 Ų | 43 | 78.9 Ų | 78.9 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 175.6 | -57 | 0 | 0 | 0 | 0 | 110.9 | L27 R28 L29 A34 C35 E68 | L27-T31 PolarHBondContact O-N 3.47Å; L27-T31 PolarHBondContact O-OG1 3Å; R28-T31 WeakPolarHBondContact O-CB 3.28Å; R28-T31 PolarHBondContact O-N 3Å; R28-T31 VanDerWaalsContact O-N 3.12Å; L29-T31 PolarHBondContact O-N 3.37Å; T31-A34 WeakPolarHBondContact O-CB 3.36Å; T31-A34 PolarHBondContact O-N 2.81Å; T31-C35 PolarHBondContact O-N 2.85Å; T31-C35 PolarHBondContact O-SG 2.9Å; T31-E68 HydrophobicContact CG2-CG 3.93Å |
| 32 | V | 95.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 81 Ų | 81 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | R28 L29 A34 C35 F36 V65 V69 | R28-V32 WeakPolarHBondContact O-CG2 3.33Å; R28-V32 PolarHBondContact O-N 3.15Å; L29-V32 PolarHBondContact O-N 2.75Å; V32-A34 PolarHBondContact O-N 3.14Å; V32-C35 WeakPolarHBondContact O-CB 3.49Å; V32-C35 PolarHBondContact O-N 3.41Å; V32-F36 HydrophobicContact CG1-CD2 4.07Å; V32-F36 HydrophobicContact CG1-CE2 3.73Å; V32-F36 VanDerWaalsContact O-CD2 3.27Å; V32-F36 WeakPolarHBondContact O-CD2 3.24Å; V32-F36 PolarHBondContact O-N 3.26Å; V32-V65 HydrophobicContact CG1-CG1 4.29Å; V32-V69 HydrophobicContact CG2-CG2 4.49Å |
| 33 | D | 94.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 82.1 Ų | 82.1 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.1 | -38.9 | 177.4 | -69.2 | -26.7 | 0 | 0 | 0 | 112 | L29 K30 F36 Q37 | L29-D33 VanDerWaalsContact O-CG 3.28Å; L29-D33 PolarHBondContact O-N 3.08Å; K30-D33 PolarHBondContact O-N 3.5Å; D33-F36 PolarHBondContact O-N 2.85Å; D33-Q37 WeakPolarHBondContact O-CB 3.25Å; D33-Q37 PolarHBondContact O-N 2.92Å |
| 34 | A | 94.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 82 Ų | 82 | 35% | 0.347 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K30 T31 V32 F36 Q37 D38 | K30-A34 WeakPolarHBondContact O-CB 3.35Å; K30-A34 PolarHBondContact O-N 3.2Å; T31-A34 WeakPolarHBondContact O-CB 3.36Å; T31-A34 PolarHBondContact O-N 2.81Å; V32-A34 PolarHBondContact O-N 3.14Å; A34-F36 VanDerWaalsContact C-N 3.27Å; A34-F36 PolarHBondContact O-N 3.15Å; A34-Q37 PolarHBondContact O-N 3.28Å; A34-Q37 VanDerWaalsContact O-N 3.09Å; A34-D38 WeakPolarHBondContact O-CB 3.27Å; A34-D38 PolarHBondContact O-N 3.34Å |
| 35 | C | 93.7 | Very high | 92 | Very high | 23 Ų | 23 | 83.6 Ų | 83.6 | 16% | 0.155 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | T31 V32 L39 V64 V65 | T31-C35 PolarHBondContact O-N 2.85Å; T31-C35 PolarHBondContact O-SG 2.9Å; V32-C35 WeakPolarHBondContact O-CB 3.49Å; V32-C35 PolarHBondContact O-N 3.41Å; C35-L39 PolarHBondContact O-N 2.82Å; C35-L39 VanDerWaalsContact O-N 3.16Å; C35-V64 HydrophobicContact CB-CG1 4.36Å; C35-V65 HydrophobicContact CB-CG2 4.3Å |
| 36 | F | 94.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 83.8 Ų | 83.8 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.3 | -39 | 175.5 | -76.6 | -91.3 | 0 | 0 | 0 | 112 | V32 D33 A34 L39 K40 L61 V65 | V32-F36 HydrophobicContact CG1-CD2 4.07Å; V32-F36 HydrophobicContact CG1-CE2 3.73Å; V32-F36 VanDerWaalsContact O-CD2 3.27Å; V32-F36 WeakPolarHBondContact O-CD2 3.24Å; V32-F36 PolarHBondContact O-N 3.26Å; D33-F36 PolarHBondContact O-N 2.85Å; A34-F36 VanDerWaalsContact C-N 3.27Å; A34-F36 PolarHBondContact O-N 3.15Å; F36-L39 PolarHBondContact O-N 3.28Å; F36-K40 WeakPolarHBondContact O-CG 3.28Å; F36-K40 PolarHBondContact O-N 2.86Å; F36-L61 HydrophobicContact CD1-CD1 4.15Å; F36-L61 HydrophobicContact CD1-CD2 3.47Å; F36-L61 VanDerWaalsContact CD1-CD2 3.47Å; F36-L61 HydrophobicContact CD1-CG 4.28Å; F36-L61 HydrophobicContact CE1-CD1 4.27Å; F36-L61 HydrophobicContact CE1-CD2 3.28Å; F36-L61 HydrophobicContact CE1-CG 4.02Å; F36-L61 HydrophobicContact CG-CD1 4.31Å; F36-L61 HydrophobicContact CG-CD2 4.41Å; F36-L61 HydrophobicContact CZ-CD2 4.1Å; F36-L61 HydrophobicContact CZ-CG 4.39Å; F36-V65 HydrophobicContact CD2-CG2 4.35Å; F36-V65 HydrophobicContact CE2-CG1 4.45Å; F36-V65 HydrophobicContact CE2-CG2 3.68Å; F36-V65 HydrophobicContact CZ-CG2 4.03Å |
| 37 | Q | 94.6 | Very high | 91.2 | Very high | 86 Ų | 86 | 91.9 Ų | 91.9 | 40% | 0.402 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 178.8 | -170.2 | 60.3 | 23.3 | 0 | 0 | 111.5 | D33 A34 L39 K40 E41 | D33-Q37 WeakPolarHBondContact O-CB 3.25Å; D33-Q37 PolarHBondContact O-N 2.92Å; A34-Q37 PolarHBondContact O-N 3.28Å; A34-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 3.25Å; Q37-K40 WeakPolarHBondContact O-CB 3.39Å; Q37-K40 PolarHBondContact O-N 3.41Å; Q37-K40 VanDerWaalsContact O-N 3.08Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.16Å; Q37-E41 PolarHBondContact NE2-OE1 3.47Å; Q37-E41 WeakPolarHBondContact O-CG 3.33Å; Q37-E41 PolarHBondContact O-N 3.49Å |
| 38 | D | 93.4 | Very high | 91.2 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 175.6 | -69 | -14.6 | 0 | 0 | 0 | 111 | A34 S42 | A34-D38 WeakPolarHBondContact O-CB 3.27Å; A34-D38 PolarHBondContact O-N 3.34Å; D38-S42 WeakPolarHBondContact O-CB 3.32Å; D38-S42 PolarHBondContact O-N 2.98Å; D38-S42 PolarHBondContact O-OG 3.32Å |
| 39 | L | 93 | Very high | 91.2 | Very high | 24 Ų | 24 | 93.3 Ų | 93.3 | 13% | 0.126 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.1 | -170.5 | 84.1 | 0 | 0 | 0 | 112 | C35 F36 Q37 E41 S42 R43 L44 V57 L61 | C35-L39 PolarHBondContact O-N 2.82Å; C35-L39 VanDerWaalsContact O-N 3.16Å; F36-L39 PolarHBondContact O-N 3.28Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 3.25Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 3Å; L39-S42 PolarHBondContact O-N 3.35Å; L39-R43 HydrophobicContact CD1-CB 4.31Å; L39-R43 HydrophobicContact CD1-CG 4.3Å; L39-R43 PolarHBondContact O-N 3.41Å; L39-L44 HydrophobicContact CD2-CD1 4.42Å; L39-L44 PolarHBondContact O-N 3.35Å; L39-V57 HydrophobicContact CD1-CG1 4.11Å; L39-V57 HydrophobicContact CD2-CG1 3.71Å; L39-V57 HydrophobicContact CG-CG1 4.09Å; L39-L61 HydrophobicContact CB-CD1 4.35Å; L39-L61 HydrophobicContact CD1-CB 4.43Å; L39-L61 HydrophobicContact CD2-CB 3.77Å; L39-L61 HydrophobicContact CD2-CD1 4.04Å; L39-L61 HydrophobicContact CD2-CD2 3.54Å; L39-L61 HydrophobicContact CD2-CG 3.97Å |
| 40 | K | 91.1 | Very high | 91.2 | Very high | 118 Ų | 118 | 91.8 Ų | 91.8 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.3 | -75.2 | 173.8 | -174.8 | 175.6 | 0 | 111.4 | F36 Q37 L44 | F36-K40 WeakPolarHBondContact O-CG 3.28Å; F36-K40 PolarHBondContact O-N 2.86Å; Q37-K40 WeakPolarHBondContact O-CB 3.39Å; Q37-K40 PolarHBondContact O-N 3.41Å; Q37-K40 VanDerWaalsContact O-N 3.08Å; K40-L44 HydrophobicContact CG-CD1 4.08Å; K40-L44 PolarHBondContact O-N 2.95Å |
| 41 | E | 92.1 | Very high | 91.1 | Very high | 127 Ų | 127 | 91.8 Ų | 91.8 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.3 | -29.2 | -177.6 | -68.7 | 178.2 | -169.1 | 0 | 0 | 113.1 | Q37 L39 V45 | Q37-E41 WeakPolarHBondContact CG-OE1 3.16Å; Q37-E41 PolarHBondContact NE2-OE1 3.47Å; Q37-E41 WeakPolarHBondContact O-CG 3.33Å; Q37-E41 PolarHBondContact O-N 3.49Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 3Å; E41-V45 VanDerWaalsContact O-CG2 3.3Å; E41-V45 WeakPolarHBondContact O-CG2 3.27Å |
| 42 | S | 89.9 | Confident | 91.2 | Very high | 81 Ų | 81 | 95.3 Ų | 95.3 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -97.1 | -36.2 | -175.8 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | D38 L39 | D38-S42 WeakPolarHBondContact O-CB 3.32Å; D38-S42 PolarHBondContact O-N 2.98Å; D38-S42 PolarHBondContact O-OG 3.32Å; L39-S42 PolarHBondContact O-N 3.35Å |
| 43 | R | 85.1 | Confident | 91.1 | Very high | 141 Ų | 141 | 97.8 Ų | 97.8 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -118.7 | -20.4 | -170.7 | -64.6 | -157 | 179 | -132.1 | 4.4 | 114.8 | L39 F49 V57 | L39-R43 HydrophobicContact CD1-CB 4.31Å; L39-R43 HydrophobicContact CD1-CG 4.3Å; L39-R43 PolarHBondContact O-N 3.41Å; R43-F49 WeakPolarHBondContact O-CE1 3.34Å; R43-F49 WeakPolarHBondContact O-CZ 3.48Å; R43-V57 HydrophobicContact CB-CG2 4.31Å |
| 44 | L | 86.4 | Confident | 91 | Very high | 84 Ų | 84 | 95.7 Ų | 95.7 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | trans | -101.4 | 49.3 | 177.3 | -74.9 | 146.4 | 0 | 0 | 0 | 111.5 | L39 K40 F49 | L39-L44 HydrophobicContact CD2-CD1 4.42Å; L39-L44 PolarHBondContact O-N 3.35Å; K40-L44 HydrophobicContact CG-CD1 4.08Å; K40-L44 PolarHBondContact O-N 2.95Å; L44-F49 HydrophobicContact CD2-CE2 3.96Å; L44-F49 HydrophobicContact CD2-CZ 4.19Å | ||
| 45 | V | 86.8 | Confident | 90.9 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 65% | 0.648 | 49% | 0.494 | S | S | * | . | trans | -96 | -22.2 | -177.8 | -170.7 | 0 | 0 | 0 | 0 | 112 | E41 | E41-V45 VanDerWaalsContact O-CG2 3.3Å; E41-V45 WeakPolarHBondContact O-CG2 3.27Å | ||
| 46 | E | 85.1 | Confident | 90.9 | Very high | 131 Ų | 131 | 102.4 Ų | 102.4 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -86.4 | 150.2 | -177.1 | -58.6 | -175.7 | -172.4 | 0 | 0 | 112.1 | F49 | E46-F49 HydrophobicContact CB-CE1 4.29Å; E46-F49 HydrophobicContact CB-CE2 4.32Å; E46-F49 HydrophobicContact CB-CZ 3.88Å; E46-F49 WeakPolarHBondContact O-CE2 3.42Å |
| 47 | E | 82.2 | Confident | 90.9 | Very high | 199 Ų | 199 | 99.4 Ų | 99.4 | 93% | 0.93 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -79.4 | -20.6 | -178.8 | -68.5 | -174.6 | 169.7 | 0 | 0 | 113.4 | ||
| 48 | T | 89.3 | Confident | 90.8 | Very high | 116 Ų | 116 | 100.1 Ų | 100.1 | 71% | 0.712 | 51% | 0.509 | S | S | * | . | trans | -134.2 | 131.6 | -177.1 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 49 | F | 91.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 100.2 Ų | 100.2 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | trans | -124.4 | 144.9 | 175.6 | -67.9 | -86.1 | 0 | 0 | 0 | 111 | R43 L44 E46 E53 V54 | R43-F49 WeakPolarHBondContact O-CE1 3.34Å; R43-F49 WeakPolarHBondContact O-CZ 3.48Å; L44-F49 HydrophobicContact CD2-CE2 3.96Å; L44-F49 HydrophobicContact CD2-CZ 4.19Å; E46-F49 HydrophobicContact CB-CE1 4.29Å; E46-F49 HydrophobicContact CB-CE2 4.32Å; E46-F49 HydrophobicContact CB-CZ 3.88Å; E46-F49 WeakPolarHBondContact O-CE2 3.42Å; F49-E53 HydrophobicContact CD1-CB 4.32Å; F49-V54 HydrophobicContact CB-CG2 3.54Å; F49-V54 HydrophobicContact CG-CG2 4.24Å | ||
| 50 | T | 93.7 | Very high | 91 | Very high | 73 Ų | 73 | 100.8 Ų | 100.8 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | trans | -77.4 | 160.2 | 165.8 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | D52 E53 V54 | T50-D52 VanDerWaalsContact C-N 3.27Å; T50-D52 PolarHBondContact O-N 3.33Å; T50-E53 WeakPolarHBondContact CB-OE2 3.32Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.42Å; T50-E53 PolarHBondContact N-OE2 3.45Å; T50-E53 PolarHBondContact O-N 2.85Å; T50-E53 VanDerWaalsContact OG1-CG 3.22Å; T50-E53 WeakPolarHBondContact OG1-CG 3.32Å; T50-E53 PolarHBondContact OG1-N 3.29Å; T50-E53 PolarHBondContact OG1-OE2 3.45Å; T50-V54 WeakPolarHBondContact O-CG2 3.34Å; T50-V54 PolarHBondContact O-N 2.81Å; T50-V54 VanDerWaalsContact O-N 3.11Å | ||
| 51 | M | 93.4 | Very high | 91.2 | Very high | 148 Ų | 148 | 96 Ų | 96 | 73% | 0.729 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | 177.8 | -174.6 | 177.1 | 176.3 | 0 | 0 | 112 | V54 M55 | M51-V54 PolarHBondContact O-N 2.93Å; M51-M55 HydrophobicContact CE-CE 4.45Å; M51-M55 HydrophobicContact CE-SD 4.22Å; M51-M55 HydrophobicContact CG-CE 4.12Å; M51-M55 WeakPolarHBondContact O-CG 3.38Å; M51-M55 PolarHBondContact O-N 3.25Å |
| 52 | D | 95.1 | Very high | 91.4 | Very high | 116 Ų | 116 | 96 Ų | 96 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | -178.5 | -65.4 | -29.7 | 0 | 0 | 0 | 111.8 | T50 M55 E56 | T50-D52 VanDerWaalsContact C-N 3.27Å; T50-D52 PolarHBondContact O-N 3.33Å; D52-M55 PolarHBondContact O-N 2.87Å; D52-M55 WeakPolarHBondContact OD1-CE 3.45Å; D52-E56 PolarHBondContact O-N 2.96Å |
| 53 | E | 92.2 | Very high | 91.7 | Very high | 83 Ų | 83 | 96 Ų | 96 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.5 | -71.8 | 158.3 | 168.3 | 0 | 0 | 111.7 | F49 T50 M55 E56 V57 | F49-E53 HydrophobicContact CD1-CB 4.32Å; T50-E53 WeakPolarHBondContact CB-OE2 3.32Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.42Å; T50-E53 PolarHBondContact N-OE2 3.45Å; T50-E53 PolarHBondContact O-N 2.85Å; T50-E53 VanDerWaalsContact OG1-CG 3.22Å; T50-E53 WeakPolarHBondContact OG1-CG 3.32Å; T50-E53 PolarHBondContact OG1-N 3.29Å; T50-E53 PolarHBondContact OG1-OE2 3.45Å; E53-M55 VanDerWaalsContact C-N 3.32Å; E53-M55 PolarHBondContact O-N 3.39Å; E53-E56 PolarHBondContact O-N 3.45Å; E53-V57 WeakPolarHBondContact O-CB 3.5Å; E53-V57 VanDerWaalsContact O-CG2 3.27Å; E53-V57 WeakPolarHBondContact O-CG2 3.36Å; E53-V57 PolarHBondContact O-N 3.05Å |
| 54 | V | 93 | Very high | 92.2 | Very high | 62 Ų | 62 | 93.1 Ų | 93.1 | 38% | 0.376 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | F49 T50 M51 V57 L58 | F49-V54 HydrophobicContact CB-CG2 3.54Å; F49-V54 HydrophobicContact CG-CG2 4.24Å; T50-V54 WeakPolarHBondContact O-CG2 3.34Å; T50-V54 PolarHBondContact O-N 2.81Å; T50-V54 VanDerWaalsContact O-N 3.11Å; M51-V54 PolarHBondContact O-N 2.93Å; V54-V57 PolarHBondContact O-N 2.91Å; V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 HydrophobicContact CG1-CG 4.37Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.37Å; V54-L58 PolarHBondContact O-N 3.04Å |
| 55 | M | 93.6 | Very high | 92.6 | Very high | 79 Ų | 79 | 90.3 Ų | 90.3 | 39% | 0.389 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176 | -75.2 | -170.6 | -63.4 | 0 | 0 | 112 | M51 D52 E53 L58 N59 | M51-M55 HydrophobicContact CE-CE 4.45Å; M51-M55 HydrophobicContact CE-SD 4.22Å; M51-M55 HydrophobicContact CG-CE 4.12Å; M51-M55 WeakPolarHBondContact O-CG 3.38Å; M51-M55 PolarHBondContact O-N 3.25Å; D52-M55 PolarHBondContact O-N 2.87Å; D52-M55 WeakPolarHBondContact OD1-CE 3.45Å; E53-M55 VanDerWaalsContact C-N 3.32Å; E53-M55 PolarHBondContact O-N 3.39Å; M55-L58 PolarHBondContact O-N 3.22Å; M55-N59 WeakPolarHBondContact O-CB 3.25Å; M55-N59 PolarHBondContact O-N 3.03Å; M55-N59 PolarHBondContact O-ND2 3.44Å; M55-N59 VanDerWaalsContact O-ND2 3.11Å |
| 56 | E | 93.8 | Very high | 93.1 | Very high | 127 Ų | 127 | 90.8 Ų | 90.8 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 176.9 | -168.6 | -174.5 | 156.5 | 0 | 0 | 111.7 | D52 E53 L58 N59 G60 | D52-E56 PolarHBondContact O-N 2.96Å; E53-E56 PolarHBondContact O-N 3.45Å; E56-L58 PolarHBondContact O-N 3.11Å; E56-N59 PolarHBondContact O-N 3.27Å; E56-G60 PolarHBondContact O-N 2.95Å |
| 57 | V | 93.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 88 Ų | 88 | 12% | 0.121 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | L39 R43 E53 V54 L61 | L39-V57 HydrophobicContact CD1-CG1 4.11Å; L39-V57 HydrophobicContact CD2-CG1 3.71Å; L39-V57 HydrophobicContact CG-CG1 4.09Å; R43-V57 HydrophobicContact CB-CG2 4.31Å; E53-V57 WeakPolarHBondContact O-CB 3.5Å; E53-V57 VanDerWaalsContact O-CG2 3.27Å; E53-V57 WeakPolarHBondContact O-CG2 3.36Å; E53-V57 PolarHBondContact O-N 3.05Å; V54-V57 PolarHBondContact O-N 2.91Å; V57-L61 WeakPolarHBondContact O-CB 3.32Å; V57-L61 PolarHBondContact O-N 2.8Å |
| 58 | L | 94 | Very high | 94.2 | Very high | 101 Ų | 101 | 81 Ų | 81 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.9 | -71.8 | 175.4 | 0 | 0 | 0 | 112.4 | V54 M55 E56 G60 L61 Q62 | V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 HydrophobicContact CG1-CG 4.37Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.37Å; V54-L58 PolarHBondContact O-N 3.04Å; M55-L58 PolarHBondContact O-N 3.22Å; E56-L58 PolarHBondContact O-N 3.11Å; L58-G60 VanDerWaalsContact C-N 3.35Å; L58-L61 PolarHBondContact O-N 3.45Å; L58-Q62 WeakPolarHBondContact O-CB 3.37Å; L58-Q62 PolarHBondContact O-N 2.94Å |
| 59 | N | 95.7 | Very high | 94.5 | Very high | 99 Ų | 99 | 78.6 Ų | 78.6 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 177.4 | -71.9 | -28.4 | 0 | 0 | 0 | 111.6 | M55 E56 Q62 S63 | M55-N59 WeakPolarHBondContact O-CB 3.25Å; M55-N59 PolarHBondContact O-N 3.03Å; M55-N59 PolarHBondContact O-ND2 3.44Å; M55-N59 VanDerWaalsContact O-ND2 3.11Å; E56-N59 PolarHBondContact O-N 3.27Å; N59-Q62 PolarHBondContact O-N 3.14Å; N59-S63 PolarHBondContact O-N 3.37Å |
| 60 | G | 93.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 80 Ų | 80 | 38% | 0.381 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E56 L58 Q62 S63 V64 | E56-G60 PolarHBondContact O-N 2.95Å; L58-G60 VanDerWaalsContact C-N 3.35Å; G60-Q62 PolarHBondContact O-N 3.11Å; G60-S63 PolarHBondContact O-N 3.49Å; G60-V64 WeakPolarHBondContact O-CG2 3.33Å; G60-V64 PolarHBondContact O-N 3.47Å; G60-V64 VanDerWaalsContact O-N 3.1Å |
| 61 | L | 95.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 79.7 Ų | 79.7 | 9% | 0.089 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.8 | 180 | 61.3 | 0 | 0 | 0 | 112 | F36 L39 V57 L58 S63 V64 V65 | F36-L61 HydrophobicContact CD1-CD1 4.15Å; F36-L61 HydrophobicContact CD1-CD2 3.47Å; F36-L61 VanDerWaalsContact CD1-CD2 3.47Å; F36-L61 HydrophobicContact CD1-CG 4.28Å; F36-L61 HydrophobicContact CE1-CD1 4.27Å; F36-L61 HydrophobicContact CE1-CD2 3.28Å; F36-L61 HydrophobicContact CE1-CG 4.02Å; F36-L61 HydrophobicContact CG-CD1 4.31Å; F36-L61 HydrophobicContact CG-CD2 4.41Å; F36-L61 HydrophobicContact CZ-CD2 4.1Å; F36-L61 HydrophobicContact CZ-CG 4.39Å; L39-L61 HydrophobicContact CB-CD1 4.35Å; L39-L61 HydrophobicContact CD1-CB 4.43Å; L39-L61 HydrophobicContact CD2-CB 3.77Å; L39-L61 HydrophobicContact CD2-CD1 4.04Å; L39-L61 HydrophobicContact CD2-CD2 3.54Å; L39-L61 HydrophobicContact CD2-CG 3.97Å; V57-L61 WeakPolarHBondContact O-CB 3.32Å; V57-L61 PolarHBondContact O-N 2.8Å; L58-L61 PolarHBondContact O-N 3.45Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 2.87Å; L61-V64 PolarHBondContact O-N 3.36Å; L61-V65 HydrophobicContact CD1-CG2 3.79Å; L61-V65 HydrophobicContact CG-CG2 4.23Å; L61-V65 WeakPolarHBondContact O-CB 3.46Å; L61-V65 WeakPolarHBondContact O-CG2 3.5Å; L61-V65 PolarHBondContact O-N 2.87Å |
| 62 | Q | 96.2 | Very high | 94.7 | Very high | 127 Ų | 127 | 74 Ų | 74 | 59% | 0.593 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57.2 | -45.6 | 176.5 | -179.9 | -177.9 | -10.4 | 0 | 0 | 111 | L58 N59 G60 V64 H66 | L58-Q62 WeakPolarHBondContact O-CB 3.37Å; L58-Q62 PolarHBondContact O-N 2.94Å; N59-Q62 PolarHBondContact O-N 3.14Å; G60-Q62 PolarHBondContact O-N 3.11Å; Q62-V64 PolarHBondContact O-N 2.88Å; Q62-H66 WeakPolarHBondContact O-CB 3.42Å; Q62-H66 PolarHBondContact O-N 2.89Å |
| 63 | S | 96.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 74.1 Ų | 74.1 | 57% | 0.566 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | N59 G60 L61 S67 | N59-S63 PolarHBondContact O-N 3.37Å; G60-S63 PolarHBondContact O-N 3.49Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 2.87Å; S63-S67 WeakPolarHBondContact O-CB 3.38Å; S63-S67 PolarHBondContact O-N 3.34Å |
| 64 | V | 95.5 | Very high | 94.7 | Very high | 81 Ų | 81 | 73.6 Ų | 73.6 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.9 | -49.4 | -179.6 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | C35 G60 L61 Q62 H66 S67 E68 | C35-V64 HydrophobicContact CB-CG1 4.36Å; G60-V64 WeakPolarHBondContact O-CG2 3.33Å; G60-V64 PolarHBondContact O-N 3.47Å; G60-V64 VanDerWaalsContact O-N 3.1Å; L61-V64 PolarHBondContact O-N 3.36Å; Q62-V64 PolarHBondContact O-N 2.88Å; V64-H66 VanDerWaalsContact C-N 3.35Å; V64-H66 PolarHBondContact O-N 2.93Å; V64-S67 PolarHBondContact O-N 2.87Å; V64-E68 PolarHBondContact O-N 3.39Å |
| 65 | V | 96.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 73.2 Ų | 73.2 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 179.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | V32 C35 F36 L61 S67 E68 V69 | V32-V65 HydrophobicContact CG1-CG1 4.29Å; C35-V65 HydrophobicContact CB-CG2 4.3Å; F36-V65 HydrophobicContact CD2-CG2 4.35Å; F36-V65 HydrophobicContact CE2-CG1 4.45Å; F36-V65 HydrophobicContact CE2-CG2 3.68Å; F36-V65 HydrophobicContact CZ-CG2 4.03Å; L61-V65 HydrophobicContact CD1-CG2 3.79Å; L61-V65 HydrophobicContact CG-CG2 4.23Å; L61-V65 WeakPolarHBondContact O-CB 3.46Å; L61-V65 WeakPolarHBondContact O-CG2 3.5Å; L61-V65 PolarHBondContact O-N 2.87Å; V65-S67 VanDerWaalsContact C-N 3.35Å; V65-S67 PolarHBondContact O-N 3.39Å; V65-E68 PolarHBondContact O-N 3.31Å; V65-V69 HydrophobicContact CG1-CG2 4.26Å; V65-V69 WeakPolarHBondContact O-CB 3.5Å; V65-V69 VanDerWaalsContact O-CG2 3.28Å; V65-V69 WeakPolarHBondContact O-CG2 3.24Å; V65-V69 PolarHBondContact O-N 2.96Å |
| 66 | H | 96.9 | Very high | 94.7 | Very high | 116 Ų | 116 | 72.2 Ų | 72.2 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.8 | -176.6 | -75.5 | 0 | 0 | 0 | 111.2 | Q62 V64 E68 V69 E70 | Q62-H66 WeakPolarHBondContact O-CB 3.42Å; Q62-H66 PolarHBondContact O-N 2.89Å; V64-H66 VanDerWaalsContact C-N 3.35Å; V64-H66 PolarHBondContact O-N 2.93Å; H66-E68 PolarHBondContact O-N 3.33Å; H66-V69 PolarHBondContact O-N 2.87Å; H66-E70 IonicContact CE1-OE2 3.64Å; H66-E70 PolarHBondContact CE1-OE2 3.26Å; H66-E70 IonicContact ND1-OE2 3.72Å; H66-E70 VanDerWaalsContact O-CB 3.29Å; H66-E70 WeakPolarHBondContact O-CB 3.47Å; H66-E70 PolarHBondContact O-N 3.1Å |
| 67 | S | 95.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 68.5 Ų | 68.5 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | S63 V64 V65 S71 | S63-S67 WeakPolarHBondContact O-CB 3.38Å; S63-S67 PolarHBondContact O-N 3.34Å; V64-S67 PolarHBondContact O-N 2.87Å; V65-S67 VanDerWaalsContact C-N 3.35Å; V65-S67 PolarHBondContact O-N 3.39Å; S67-S71 VanDerWaalsContact O-CB 3.26Å; S67-S71 WeakPolarHBondContact O-CB 3.47Å; S67-S71 PolarHBondContact O-N 3.06Å |
| 68 | E | 94.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 25% | 0.248 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 177.7 | -173.7 | 60.6 | -155.3 | 0 | 0 | 111.8 | R28 T31 V64 V65 H66 E72 | R28-E68 IonicContact NH1-OE1 3.54Å; T31-E68 HydrophobicContact CG2-CG 3.93Å; V64-E68 PolarHBondContact O-N 3.39Å; V65-E68 PolarHBondContact O-N 3.31Å; H66-E68 PolarHBondContact O-N 3.33Å; E68-E72 PolarHBondContact O-N 2.98Å |
| 69 | V | 95.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 72.4 Ų | 72.4 | 39% | 0.394 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V32 V65 H66 S71 E72 L73 | V32-V69 HydrophobicContact CG2-CG2 4.49Å; V65-V69 HydrophobicContact CG1-CG2 4.26Å; V65-V69 WeakPolarHBondContact O-CB 3.5Å; V65-V69 VanDerWaalsContact O-CG2 3.28Å; V65-V69 WeakPolarHBondContact O-CG2 3.24Å; V65-V69 PolarHBondContact O-N 2.96Å; H66-V69 PolarHBondContact O-N 2.87Å; V69-S71 PolarHBondContact O-N 2.82Å; V69-E72 PolarHBondContact O-N 3.46Å; V69-L73 HydrophobicContact CG1-CD1 4.06Å; V69-L73 HydrophobicContact CG1-CG 4.34Å; V69-L73 WeakPolarHBondContact O-CG 3.34Å; V69-L73 PolarHBondContact O-N 3.47Å |
| 70 | E | 95.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 177.7 | -178.4 | 175.8 | -174.5 | 0 | 0 | 111.5 | H66 E72 L73 I74 | H66-E70 IonicContact CE1-OE2 3.64Å; H66-E70 PolarHBondContact CE1-OE2 3.26Å; H66-E70 IonicContact ND1-OE2 3.72Å; H66-E70 VanDerWaalsContact O-CB 3.29Å; H66-E70 WeakPolarHBondContact O-CB 3.47Å; H66-E70 PolarHBondContact O-N 3.1Å; E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 2.92Å; E70-L73 PolarHBondContact O-N 3.47Å; E70-I74 HydrophobicContact CG-CD1 4.06Å; E70-I74 WeakPolarHBondContact O-CG1 3.49Å; E70-I74 PolarHBondContact O-N 2.82Å |
| 71 | S | 94 | Very high | 94.8 | Very high | 67 Ų | 67 | 73.2 Ų | 73.2 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.7 | -42.1 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | S67 V69 N75 | S67-S71 VanDerWaalsContact O-CB 3.26Å; S67-S71 WeakPolarHBondContact O-CB 3.47Å; S67-S71 PolarHBondContact O-N 3.06Å; V69-S71 PolarHBondContact O-N 2.82Å; S71-N75 VanDerWaalsContact O-CB 3.32Å; S71-N75 WeakPolarHBondContact O-CB 3.39Å; S71-N75 PolarHBondContact O-N 3.45Å |
| 72 | E | 92.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 77.3 Ų | 77.3 | 14% | 0.136 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -73.7 | -36.4 | 179 | -179.2 | 60.7 | 169.8 | 0 | 0 | 113.9 | R28 E68 V69 E70 I74 N75 T76 | R28-E72 HydrophobicContact CB-CG 4.46Å; R28-E72 HydrophobicContact CG-CG 3.74Å; R28-E72 VanDerWaalsContact CG-OE1 3.27Å; R28-E72 WeakPolarHBondContact CG-OE1 3.44Å; R28-E72 IonicContact CZ-OE1 3.05Å; R28-E72 IonicContact CZ-OE2 2.81Å; R28-E72 IonicContact NE-OE1 2.73Å; R28-E72 PolarHBondContact NE-OE1 2.88Å; R28-E72 IonicContact NE-OE2 3.41Å; R28-E72 PolarHBondContact NE-OE2 2.99Å; R28-E72 IonicContact NH2-OE1 3.02Å; R28-E72 IonicContact NH2-OE2 3.61Å; R28-E72 PolarHBondContact NH2-OE2 3.29Å; E68-E72 PolarHBondContact O-N 2.98Å; V69-E72 PolarHBondContact O-N 3.46Å; E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 2.92Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.45Å; E72-N75 PolarHBondContact O-N 3.44Å; E72-N75 PolarHBondContact OE2-ND2 2.87Å; E72-T76 WeakPolarHBondContact O-CB 3.48Å; E72-T76 PolarHBondContact O-N 2.77Å; E72-T76 PolarHBondContact O-OG1 3.38Å |
| 73 | L | 93.4 | Very high | 94.6 | Very high | 118 Ų | 118 | 74 Ų | 74 | 62% | 0.618 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 174.6 | -71 | 175 | 0 | 0 | 0 | 110.7 | V69 E70 T76 A77 | V69-L73 HydrophobicContact CG1-CD1 4.06Å; V69-L73 HydrophobicContact CG1-CG 4.34Å; V69-L73 WeakPolarHBondContact O-CG 3.34Å; V69-L73 PolarHBondContact O-N 3.47Å; E70-L73 PolarHBondContact O-N 3.47Å; L73-T76 PolarHBondContact O-N 2.91Å; L73-A77 PolarHBondContact O-N 2.99Å; L73-A77 VanDerWaalsContact O-N 3.08Å |
| 74 | I | 94.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.4 | -67.9 | 168.2 | 0 | 0 | 0 | 110.6 | E70 E72 T76 A77 Y78 | E70-I74 HydrophobicContact CG-CD1 4.06Å; E70-I74 WeakPolarHBondContact O-CG1 3.49Å; E70-I74 PolarHBondContact O-N 2.82Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.45Å; I74-T76 VanDerWaalsContact C-N 3.28Å; I74-T76 PolarHBondContact O-N 2.71Å; I74-A77 WeakPolarHBondContact O-CB 3.47Å; I74-A77 PolarHBondContact O-N 3.18Å; I74-A77 VanDerWaalsContact O-N 3.16Å; I74-Y78 HydrophobicContact CG2-CD2 3.95Å; I74-Y78 HydrophobicContact CG2-CE1 4.09Å; I74-Y78 HydrophobicContact CG2-CE2 3.4Å; I74-Y78 VanDerWaalsContact CG2-CZ 3.48Å; I74-Y78 PolarHBondContact O-N 3.47Å |
| 75 | N | 93.5 | Very high | 94.3 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 179.5 | 179.8 | 39.3 | 0 | 0 | 0 | 112.5 | R28 S71 E72 Y78 T79 | R28-N75 PolarHBondContact NH2-ND2 2.84Å; S71-N75 VanDerWaalsContact O-CB 3.32Å; S71-N75 WeakPolarHBondContact O-CB 3.39Å; S71-N75 PolarHBondContact O-N 3.45Å; E72-N75 PolarHBondContact O-N 3.44Å; E72-N75 PolarHBondContact OE2-ND2 2.87Å; N75-Y78 PolarHBondContact O-N 2.89Å; N75-T79 WeakPolarHBondContact O-CB 3.44Å; N75-T79 PolarHBondContact O-N 3.34Å; N75-T79 PolarHBondContact O-OG1 3.49Å |
| 76 | T | 93.3 | Very high | 94 | Very high | 57 Ų | 57 | 82.7 Ų | 82.7 | 35% | 0.35 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -46 | 173.4 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | E72 L73 I74 Y78 T79 N80 | E72-T76 WeakPolarHBondContact O-CB 3.48Å; E72-T76 PolarHBondContact O-N 2.77Å; E72-T76 PolarHBondContact O-OG1 3.38Å; L73-T76 PolarHBondContact O-N 2.91Å; I74-T76 VanDerWaalsContact C-N 3.28Å; I74-T76 PolarHBondContact O-N 2.71Å; T76-Y78 PolarHBondContact O-N 3.37Å; T76-T79 PolarHBondContact O-N 3.47Å; T76-N80 PolarHBondContact O-N 2.89Å; T76-N80 PolarHBondContact O-OD1 3.22Å |
| 77 | A | 93.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 81.1 Ų | 81.1 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L73 I74 T79 N80 V81 | L73-A77 PolarHBondContact O-N 2.99Å; L73-A77 VanDerWaalsContact O-N 3.08Å; I74-A77 WeakPolarHBondContact O-CB 3.47Å; I74-A77 PolarHBondContact O-N 3.18Å; I74-A77 VanDerWaalsContact O-N 3.16Å; A77-T79 VanDerWaalsContact C-N 3.35Å; A77-T79 PolarHBondContact O-N 2.88Å; A77-N80 PolarHBondContact O-N 3.44Å; A77-V81 WeakPolarHBondContact O-CG2 3.46Å; A77-V81 PolarHBondContact O-N 3.48Å |
| 78 | Y | 96.2 | Very high | 93.4 | Very high | 163 Ų | 163 | 81 Ų | 81 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 177.6 | -66.7 | -14.1 | 0 | 0 | 0 | 112.9 | I74 N75 T76 N80 V81 L82 | I74-Y78 HydrophobicContact CG2-CD2 3.95Å; I74-Y78 HydrophobicContact CG2-CE1 4.09Å; I74-Y78 HydrophobicContact CG2-CE2 3.4Å; I74-Y78 VanDerWaalsContact CG2-CZ 3.48Å; I74-Y78 PolarHBondContact O-N 3.47Å; N75-Y78 PolarHBondContact O-N 2.89Å; T76-Y78 PolarHBondContact O-N 3.37Å; Y78-N80 VanDerWaalsContact C-N 3.31Å; Y78-N80 PolarHBondContact O-N 2.87Å; Y78-V81 PolarHBondContact O-N 2.91Å; Y78-L82 WeakPolarHBondContact O-CB 3.42Å; Y78-L82 PolarHBondContact O-N 3.48Å |
| 79 | T | 94.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 81 Ų | 81 | 24% | 0.239 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 176 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | F20 N75 T76 A77 L82 L83 | F20-T79 HydrophobicContact CE1-CG2 3.93Å; F20-T79 HydrophobicContact CZ-CG2 4.38Å; N75-T79 WeakPolarHBondContact O-CB 3.44Å; N75-T79 PolarHBondContact O-N 3.34Å; N75-T79 PolarHBondContact O-OG1 3.49Å; T76-T79 PolarHBondContact O-N 3.47Å; A77-T79 VanDerWaalsContact C-N 3.35Å; A77-T79 PolarHBondContact O-N 2.88Å; T79-L82 WeakPolarHBondContact O-CB 3.37Å; T79-L82 PolarHBondContact O-N 2.92Å; T79-L83 PolarHBondContact O-N 2.93Å |
| 80 | N | 93 | Very high | 92.7 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 178.8 | -66.4 | -6.5 | 0 | 0 | 0 | 112 | Y17 T76 A77 Y78 L82 L83 L84 | Y17-N80 PolarHBondContact OH-OD1 2.88Å; T76-N80 PolarHBondContact O-N 2.89Å; T76-N80 PolarHBondContact O-OD1 3.22Å; A77-N80 PolarHBondContact O-N 3.44Å; Y78-N80 VanDerWaalsContact C-N 3.31Å; Y78-N80 PolarHBondContact O-N 2.87Å; N80-L82 VanDerWaalsContact C-N 3.27Å; N80-L82 PolarHBondContact O-N 3.39Å; N80-L83 WeakPolarHBondContact O-CB 3.24Å; N80-L83 PolarHBondContact O-N 3.31Å; N80-L84 WeakPolarHBondContact O-CG 3.39Å; N80-L84 PolarHBondContact O-N 2.91Å |
| 81 | V | 94.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 78.3 Ų | 78.3 | 58% | 0.576 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62 | -38.3 | 173.3 | 173.6 | 0 | 0 | 0 | 0 | 111 | A77 Y78 L84 R85 | A77-V81 WeakPolarHBondContact O-CG2 3.46Å; A77-V81 PolarHBondContact O-N 3.48Å; Y78-V81 PolarHBondContact O-N 2.91Å; V81-L84 PolarHBondContact O-N 3.44Å; V81-R85 WeakPolarHBondContact O-CB 3.29Å; V81-R85 PolarHBondContact O-N 2.88Å |
| 82 | L | 93.7 | Very high | 91.6 | Very high | 104 Ų | 104 | 81.7 Ų | 81.7 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176 | -174.7 | 64 | 0 | 0 | 0 | 111.8 | Y78 T79 N80 R85 Q86 | Y78-L82 WeakPolarHBondContact O-CB 3.42Å; Y78-L82 PolarHBondContact O-N 3.48Å; T79-L82 WeakPolarHBondContact O-CB 3.37Å; T79-L82 PolarHBondContact O-N 2.92Å; N80-L82 VanDerWaalsContact C-N 3.27Å; N80-L82 PolarHBondContact O-N 3.39Å; L82-R85 PolarHBondContact O-N 3.43Å; L82-Q86 PolarHBondContact O-N 2.88Å |
| 83 | L | 92.9 | Very high | 91.2 | Very high | 58 Ų | 58 | 87.6 Ų | 87.6 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 173.7 | 178.5 | 63.8 | 0 | 0 | 0 | 111.1 | Y17 T79 N80 R85 Q86 L87 | Y17-L83 HydrophobicContact CD2-CD2 3.81Å; Y17-L83 HydrophobicContact CE2-CD2 3.79Å; Y17-L83 HydrophobicContact CG-CD2 4.22Å; T79-L83 PolarHBondContact O-N 2.93Å; N80-L83 WeakPolarHBondContact O-CB 3.24Å; N80-L83 PolarHBondContact O-N 3.31Å; L83-R85 VanDerWaalsContact C-N 3.33Å; L83-R85 PolarHBondContact O-N 3.45Å; L83-Q86 WeakPolarHBondContact O-CB 3.37Å; L83-Q86 PolarHBondContact O-N 3.2Å; L83-Q86 VanDerWaalsContact O-N 3.1Å; L83-L87 HydrophobicContact CG-CD1 4.31Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 3.42Å |
| 84 | L | 92.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 89.5 Ų | 89.5 | 37% | 0.372 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.9 | -71.3 | 175.2 | 0 | 0 | 0 | 111.8 | N80 V81 Q86 L87 F88 | N80-L84 WeakPolarHBondContact O-CG 3.39Å; N80-L84 PolarHBondContact O-N 2.91Å; V81-L84 PolarHBondContact O-N 3.44Å; L84-Q86 VanDerWaalsContact C-N 3.3Å; L84-Q86 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 2.93Å; L84-F88 HydrophobicContact CB-CE2 4.17Å; L84-F88 HydrophobicContact CD2-CZ 4.39Å; L84-F88 WeakPolarHBondContact O-CD2 3.37Å; L84-F88 WeakPolarHBondContact O-CG 3.49Å; L84-F88 PolarHBondContact O-N 3Å |
| 85 | R | 93.2 | Very high | 90 | Very high | 182 Ų | 182 | 96.2 Ų | 96.2 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.8 | -42.4 | 174.8 | -178.8 | -173.6 | 172 | -161.4 | -1.4 | 111.7 | V81 L82 L83 S89 | V81-R85 WeakPolarHBondContact O-CB 3.29Å; V81-R85 PolarHBondContact O-N 2.88Å; L82-R85 PolarHBondContact O-N 3.43Å; L83-R85 VanDerWaalsContact C-N 3.33Å; L83-R85 PolarHBondContact O-N 3.45Å; R85-S89 VanDerWaalsContact O-CB 3.3Å; R85-S89 WeakPolarHBondContact O-CB 3.37Å; R85-S89 PolarHBondContact O-N 2.9Å |
| 86 | Q | 89.8 | Confident | 89.7 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 178.1 | -178.1 | 175.4 | -8.4 | 0 | 0 | 112 | L82 L83 L84 Q90 | L82-Q86 PolarHBondContact O-N 2.88Å; L83-Q86 WeakPolarHBondContact O-CB 3.37Å; L83-Q86 PolarHBondContact O-N 3.2Å; L83-Q86 VanDerWaalsContact O-N 3.1Å; L84-Q86 VanDerWaalsContact C-N 3.3Å; L84-Q86 PolarHBondContact O-N 2.95Å; Q86-Q90 WeakPolarHBondContact O-CG 3.24Å; Q86-Q90 PolarHBondContact O-N 2.91Å; Q86-Q90 PolarHBondContact O-NE2 2.93Å |
| 87 | L | 90.5 | Very high | 89.3 | Confident | 83 Ų | 83 | 105.8 Ų | 105.8 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 176.2 | -67.7 | 174.3 | 0 | 0 | 0 | 111.6 | L83 L84 S89 Q90 A91 | L83-L87 HydrophobicContact CG-CD1 4.31Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 3.42Å; L84-L87 PolarHBondContact O-N 2.93Å; L87-S89 PolarHBondContact O-N 3.42Å; L87-Q90 WeakPolarHBondContact O-CB 3.34Å; L87-Q90 PolarHBondContact O-N 2.84Å; L87-A91 PolarHBondContact O-N 2.78Å |
| 88 | F | 90.3 | Very high | 88.9 | Confident | 69 Ų | 69 | 108 Ų | 108 | 30% | 0.303 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 178.6 | -63.6 | -29.6 | 0 | 0 | 0 | 112.5 | L84 Q90 A91 E92 L98 | L84-F88 HydrophobicContact CB-CE2 4.17Å; L84-F88 HydrophobicContact CD2-CZ 4.39Å; L84-F88 WeakPolarHBondContact O-CD2 3.37Å; L84-F88 WeakPolarHBondContact O-CG 3.49Å; L84-F88 PolarHBondContact O-N 3Å; F88-Q90 PolarHBondContact O-N 3.42Å; F88-A91 PolarHBondContact O-N 3.37Å; F88-A91 VanDerWaalsContact O-N 3.14Å; F88-E92 WeakPolarHBondContact O-CB 3.45Å; F88-E92 WeakPolarHBondContact O-CG 3.48Å; F88-E92 PolarHBondContact O-N 3.45Å; F88-L98 HydrophobicContact CD1-CB 4.1Å; F88-L98 HydrophobicContact CD1-CD1 4.1Å; F88-L98 HydrophobicContact CE1-CB 3.83Å; F88-L98 HydrophobicContact CE1-CD1 4.3Å |
| 89 | S | 87.8 | Confident | 88.4 | Confident | 55 Ų | 55 | 109.4 Ų | 109.4 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -32.6 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | R85 L87 K93 | R85-S89 VanDerWaalsContact O-CB 3.3Å; R85-S89 WeakPolarHBondContact O-CB 3.37Å; R85-S89 PolarHBondContact O-N 2.9Å; L87-S89 PolarHBondContact O-N 3.42Å; S89-K93 WeakPolarHBondContact O-CG 3.46Å |
| 90 | Q | 86.1 | Confident | 88 | Confident | 95 Ų | 95 | 112 Ų | 112 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.4 | -48.1 | 171.8 | -70.2 | 175.6 | 57.4 | 0 | 0 | 110.7 | Q86 L87 F88 E92 K93 | Q86-Q90 WeakPolarHBondContact O-CG 3.24Å; Q86-Q90 PolarHBondContact O-N 2.91Å; Q86-Q90 PolarHBondContact O-NE2 2.93Å; L87-Q90 WeakPolarHBondContact O-CB 3.34Å; L87-Q90 PolarHBondContact O-N 2.84Å; F88-Q90 PolarHBondContact O-N 3.42Å; Q90-E92 VanDerWaalsContact C-N 3.32Å; Q90-E92 PolarHBondContact O-N 3.01Å; Q90-K93 WeakPolarHBondContact O-CB 3.36Å; Q90-K93 PolarHBondContact O-N 3.42Å |
| 91 | A | 86.3 | Confident | 87.6 | Confident | 11 Ų | 11 | 113.6 Ų | 113.6 | 9% | 0.091 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L87 F88 K93 W94 Y95 L96 L98 | L87-A91 PolarHBondContact O-N 2.78Å; F88-A91 PolarHBondContact O-N 3.37Å; F88-A91 VanDerWaalsContact O-N 3.14Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 3.39Å; A91-W94 CarbonylContact O-C 3.38Å; A91-W94 WeakPolarHBondContact O-CA 3.37Å; A91-W94 PolarHBondContact O-N 2.85Å; A91-Y95 PolarHBondContact O-N 2.85Å; A91-Y95 VanDerWaalsContact O-N 3.13Å; A91-L96 HydrophobicContact CB-CB 4.17Å; A91-L96 PolarHBondContact O-N 3.21Å; A91-L98 HydrophobicContact CB-CD1 3.52Å; A91-L98 HydrophobicContact CB-CG 3.8Å |
| 92 | E | 82.2 | Confident | 87.2 | Confident | 137 Ų | 137 | 115.3 Ų | 115.3 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.1 | -36.6 | 177.5 | -77.7 | 178.7 | 172.6 | 0 | 0 | 112.8 | F88 Q90 W94 Y95 | F88-E92 WeakPolarHBondContact O-CB 3.45Å; F88-E92 WeakPolarHBondContact O-CG 3.48Å; F88-E92 PolarHBondContact O-N 3.45Å; Q90-E92 VanDerWaalsContact C-N 3.32Å; Q90-E92 PolarHBondContact O-N 3.01Å; E92-W94 PolarHBondContact O-N 2.9Å; E92-Y95 PolarHBondContact O-N 2.94Å |
| 93 | K | 83.6 | Confident | 86.7 | Confident | 154 Ų | 154 | 115 Ų | 115 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.6 | -26.6 | 174.3 | -70.1 | 175.4 | -176.5 | -176.8 | 0 | 112.5 | S89 Q90 A91 | S89-K93 WeakPolarHBondContact O-CG 3.46Å; Q90-K93 WeakPolarHBondContact O-CB 3.36Å; Q90-K93 PolarHBondContact O-N 3.42Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 3.39Å |
| 94 | W | 81.1 | Confident | 86.4 | Confident | 158 Ų | 158 | 117.5 Ų | 117.5 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 9.9 | 176.4 | -61.5 | 98 | 0 | 0 | 0 | 112.5 | A91 E92 L96 T146 | A91-W94 CarbonylContact O-C 3.38Å; A91-W94 WeakPolarHBondContact O-CA 3.37Å; A91-W94 PolarHBondContact O-N 2.85Å; E92-W94 PolarHBondContact O-N 2.9Å; W94-L96 HydrophobicContact CB-CD1 4.05Å; W94-L96 HydrophobicContact CB-CG 4.09Å; W94-L96 PolarHBondContact O-N 2.98Å; W94-T146 HydrophobicContact CH2-CG2 4.29Å; W94-T146 WeakPolarHBondContact CH2-OG1 3.42Å; W94-T146 HydrophobicContact CZ3-CG2 3.93Å; W94-T146 WeakPolarHBondContact CZ3-OG1 3.33Å |
| 95 | Y | 81.1 | Confident | 86 | Confident | 213 Ų | 213 | 120 Ų | 120 | 84% | 0.835 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.4 | 28.9 | -178 | -57 | -84.3 | 0 | 0 | 0 | 114.1 | A91 E92 | A91-Y95 PolarHBondContact O-N 2.85Å; A91-Y95 VanDerWaalsContact O-N 3.13Å; E92-Y95 PolarHBondContact O-N 2.94Å |
| 96 | L | 87 | Confident | 85.5 | Confident | 104 Ų | 104 | 119.7 Ų | 119.7 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | trans | -88.8 | 132.3 | 177.8 | -65.6 | 171.7 | 0 | 0 | 0 | 110.4 | A91 W94 | A91-L96 HydrophobicContact CB-CB 4.17Å; A91-L96 PolarHBondContact O-N 3.21Å; W94-L96 HydrophobicContact CB-CD1 4.05Å; W94-L96 HydrophobicContact CB-CG 4.09Å; W94-L96 PolarHBondContact O-N 2.98Å | ||
| 97 | K | 84.6 | Confident | 85.5 | Confident | 208 Ų | 208 | 117.3 Ų | 117.3 | 90% | 0.904 | 57% | 0.571 | S | S | * | * | trans | -96.6 | 100.8 | 171.5 | -66.4 | -175.7 | -179.1 | -179.5 | 0 | 108.8 | ||||
| 98 | L | 86.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 122.8 Ų | 122.8 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | trans | -84.4 | 137.1 | 174.7 | -61.9 | -179 | 0 | 0 | 0 | 109.8 | F88 A91 | F88-L98 HydrophobicContact CD1-CB 4.1Å; F88-L98 HydrophobicContact CD1-CD1 4.1Å; F88-L98 HydrophobicContact CE1-CB 3.83Å; F88-L98 HydrophobicContact CE1-CD1 4.3Å; A91-L98 HydrophobicContact CB-CD1 3.52Å; A91-L98 HydrophobicContact CB-CG 3.8Å | ||
| 99 | Q | 84.8 | Confident | 85.2 | Confident | 192 Ų | 192 | 125.6 Ų | 125.6 | 90% | 0.897 | 60% | 0.6 | S | S | * | * | trans | -123.3 | 138.1 | 172.2 | -69.6 | -178 | -33.4 | 0 | 0 | 108 | ||||
| 100 | T | 85.5 | Confident | 85.1 | Confident | 93 Ų | 93 | 125.9 Ų | 125.9 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | trans | -117.5 | 129.5 | 175.6 | 10.9 | 0 | 0 | 0 | 0 | 107.7 | I102 | T100-I102 PolarHBondContact O-N 2.81Š| ||
| 101 | D | 84.8 | Confident | 85.2 | Confident | 92 Ų | 92 | 125.7 Ų | 125.7 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | trans | -81.8 | 109.5 | 172.3 | -167 | -15.8 | 0 | 0 | 0 | 108.9 | S103 E104 | D101-S103 PolarHBondContact O-N 2.89Å; D101-S103 VanDerWaalsContact OD1-CB 3.29Å; D101-S103 WeakPolarHBondContact OD1-CB 3.3Å; D101-S103 PolarHBondContact OD1-N 2.85Å; D101-E104 HydrophobicContact CB-CG 4.07Å; D101-E104 PolarHBondContact O-N 2.78Å | ||
| 102 | I | 86.8 | Confident | 85.3 | Confident | 131 Ų | 131 | 130.4 Ų | 130.4 | 67% | 0.672 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -67.3 | -28 | -179.3 | -58 | 173.7 | 0 | 0 | 0 | 110.1 | T100 E104 L105 | T100-I102 PolarHBondContact O-N 2.81Å; I102-E104 PolarHBondContact O-N 2.94Å; I102-L105 HydrophobicContact CG2-CD1 4.32Å; I102-L105 WeakPolarHBondContact O-CB 3.16Å; I102-L105 PolarHBondContact O-N 3.5Å; I102-L105 VanDerWaalsContact O-N 3.17Å |
| 103 | S | 84 | Confident | 85.5 | Confident | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -66.3 | -25.8 | 179.9 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | D101 L105 | D101-S103 PolarHBondContact O-N 2.89Å; D101-S103 VanDerWaalsContact OD1-CB 3.29Å; D101-S103 WeakPolarHBondContact OD1-CB 3.3Å; D101-S103 PolarHBondContact OD1-N 2.85Å; S103-L105 VanDerWaalsContact C-N 3.33Å |
| 104 | E | 85.3 | Confident | 85.6 | Confident | 110 Ų | 110 | 124.9 Ų | 124.9 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -76.2 | -19.2 | 176.6 | -66.8 | -171.3 | 162.6 | 0 | 0 | 113.3 | D101 I102 E106 N107 L110 | D101-E104 HydrophobicContact CB-CG 4.07Å; D101-E104 PolarHBondContact O-N 2.78Å; I102-E104 PolarHBondContact O-N 2.94Å; E104-E106 PolarHBondContact O-N 3.32Å; E104-N107 WeakPolarHBondContact O-CB 3.3Å; E104-N107 PolarHBondContact O-N 2.85Å; E104-N107 VanDerWaalsContact O-N 3.08Å; E104-L110 HydrophobicContact CB-CD1 4.09Å |
| 105 | L | 84.4 | Confident | 85.9 | Confident | 123 Ų | 123 | 119 Ų | 119 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -67.6 | -24.5 | -178.5 | -63 | 177.2 | 0 | 0 | 0 | 113.3 | I102 S103 | I102-L105 HydrophobicContact CG2-CD1 4.32Å; I102-L105 WeakPolarHBondContact O-CB 3.16Å; I102-L105 PolarHBondContact O-N 3.5Å; I102-L105 VanDerWaalsContact O-N 3.17Å; S103-L105 VanDerWaalsContact C-N 3.33Å |
| 106 | E | 83.8 | Confident | 86.2 | Confident | 175 Ų | 175 | 114.6 Ų | 114.6 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -95.5 | 0.9 | 175.8 | -63 | -174.1 | 169.8 | 0 | 0 | 112.5 | E104 R108 | E104-E106 PolarHBondContact O-N 3.32Å; E106-R108 PolarHBondContact O-N 2.83Å |
| 107 | N | 90.1 | Very high | 86.1 | Confident | 65 Ų | 65 | 109.9 Ų | 109.9 | 35% | 0.348 | 55% | 0.545 | S | S | . | . | trans | -67.9 | 109 | 179.5 | -173.5 | -24.6 | 0 | 0 | 0 | 110.2 | E104 E109 L110 L111 | E104-N107 WeakPolarHBondContact O-CB 3.3Å; E104-N107 PolarHBondContact O-N 2.85Å; E104-N107 VanDerWaalsContact O-N 3.08Å; N107-E109 VanDerWaalsContact C-N 3.26Å; N107-E109 PolarHBondContact O-N 2.85Å; N107-E109 WeakPolarHBondContact OD1-CB 3.35Å; N107-E109 PolarHBondContact OD1-N 3.47Å; N107-L110 HydrophobicContact CB-CB 4.18Å; N107-L110 HydrophobicContact CB-CD1 3.93Å; N107-L110 HydrophobicContact CB-CG 4.03Å; N107-L110 PolarHBondContact O-N 2.88Å; N107-L111 WeakPolarHBondContact O-CG 3.33Å; N107-L111 PolarHBondContact O-N 3.46Å | ||
| 108 | R | 87.3 | Confident | 86.2 | Confident | 199 Ų | 199 | 101.8 Ų | 101.8 | 75% | 0.751 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.9 | -36.7 | -178.5 | -176 | 174.8 | 175.9 | 150.8 | 0.3 | 113.1 | E106 L111 E112 | E106-R108 PolarHBondContact O-N 2.83Å; R108-L111 PolarHBondContact O-N 3.41Å; R108-E112 WeakPolarHBondContact O-CB 3.46Å; R108-E112 PolarHBondContact O-N 3.41Å |
| 109 | E | 86.3 | Confident | 86.2 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 180 | -169.7 | -178.2 | 170.1 | 0 | 0 | 110.9 | N107 L111 E112 Q113 | N107-E109 VanDerWaalsContact C-N 3.26Å; N107-E109 PolarHBondContact O-N 2.85Å; N107-E109 WeakPolarHBondContact OD1-CB 3.35Å; N107-E109 PolarHBondContact OD1-N 3.47Å; E109-L111 PolarHBondContact O-N 3.27Å; E109-E112 PolarHBondContact O-N 2.84Å; E109-Q113 WeakPolarHBondContact O-CG 3.36Å; E109-Q113 PolarHBondContact O-N 3.37Å |
| 110 | L | 85.4 | Confident | 86.1 | Confident | 60 Ų | 60 | 97 Ų | 97 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.5 | -64 | -179.8 | 0 | 0 | 0 | 111.7 | E104 N107 E112 Q113 I114 | E104-L110 HydrophobicContact CB-CD1 4.09Å; N107-L110 HydrophobicContact CB-CB 4.18Å; N107-L110 HydrophobicContact CB-CD1 3.93Å; N107-L110 HydrophobicContact CB-CG 4.03Å; N107-L110 PolarHBondContact O-N 2.88Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 2.93Å; L110-Q113 PolarHBondContact O-N 3.12Å; L110-I114 WeakPolarHBondContact O-CG1 3.29Å; L110-I114 PolarHBondContact O-N 2.86Å |
| 111 | L | 87.8 | Confident | 86 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 174.8 | -69.8 | 174.3 | 0 | 0 | 0 | 112.2 | N107 R108 E109 I114 A115 | N107-L111 WeakPolarHBondContact O-CG 3.33Å; N107-L111 PolarHBondContact O-N 3.46Å; R108-L111 PolarHBondContact O-N 3.41Å; E109-L111 PolarHBondContact O-N 3.27Å; L111-I114 PolarHBondContact O-N 3.42Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.47Å |
| 112 | E | 88.7 | Confident | 85.5 | Confident | 109 Ų | 109 | 91.8 Ų | 91.8 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.8 | -172.3 | 156.5 | -150.7 | 0 | 0 | 111.4 | R108 E109 L110 I114 A115 E116 | R108-E112 WeakPolarHBondContact O-CB 3.46Å; R108-E112 PolarHBondContact O-N 3.41Å; E109-E112 PolarHBondContact O-N 2.84Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 2.93Å; E112-I114 PolarHBondContact O-N 3.23Å; E112-A115 WeakPolarHBondContact O-CB 3.42Å; E112-A115 PolarHBondContact O-N 2.83Å; E112-A115 VanDerWaalsContact O-N 3.13Å; E112-E116 WeakPolarHBondContact O-CG 3.29Å; E112-E116 PolarHBondContact O-N 2.84Å |
| 113 | Q | 86.3 | Confident | 84.7 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173 | -70.3 | 174.3 | 22.4 | 0 | 0 | 112.1 | E109 L110 A115 E116 F117 | E109-Q113 WeakPolarHBondContact O-CG 3.36Å; E109-Q113 PolarHBondContact O-N 3.37Å; L110-Q113 PolarHBondContact O-N 3.12Å; Q113-A115 VanDerWaalsContact C-N 3.33Å; Q113-A115 PolarHBondContact O-N 3.37Å; Q113-E116 PolarHBondContact O-N 2.83Å; Q113-F117 WeakPolarHBondContact O-CB 3.42Å; Q113-F117 PolarHBondContact O-N 2.94Å |
| 114 | I | 87 | Confident | 83.5 | Confident | 77 Ų | 77 | 90 Ų | 90 | 40% | 0.395 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 175.1 | -68.1 | 168.1 | 0 | 0 | 0 | 110.8 | L4 M18 L110 L111 E112 F117 E118 | L4-I114 HydrophobicContact CD2-CG1 4.5Å; M18-I114 HydrophobicContact CE-CG2 4.22Å; L110-I114 WeakPolarHBondContact O-CG1 3.29Å; L110-I114 PolarHBondContact O-N 2.86Å; L111-I114 PolarHBondContact O-N 3.42Å; E112-I114 PolarHBondContact O-N 3.23Å; I114-F117 PolarHBondContact O-N 2.87Å; I114-E118 WeakPolarHBondContact O-CB 3.11Å; I114-E118 PolarHBondContact O-N 3.35Å |
| 115 | A | 86.5 | Confident | 82 | Confident | 35 Ų | 35 | 87.4 Ų | 87.4 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L111 E112 Q113 E118 K119 | L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.47Å; E112-A115 WeakPolarHBondContact O-CB 3.42Å; E112-A115 PolarHBondContact O-N 2.83Å; E112-A115 VanDerWaalsContact O-N 3.13Å; Q113-A115 VanDerWaalsContact C-N 3.33Å; Q113-A115 PolarHBondContact O-N 3.37Å; A115-E118 PolarHBondContact O-N 2.81Å; A115-K119 VanDerWaalsContact O-CG 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.14Å; A115-K119 PolarHBondContact O-N 3.31Å |
| 116 | E | 87 | Confident | 80 | Confident | 120 Ų | 120 | 87 Ų | 87 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 172.4 | -73.5 | -175.2 | 172.7 | 0 | 0 | 111.5 | E112 Q113 K119 A120 | E112-E116 WeakPolarHBondContact O-CG 3.29Å; E112-E116 PolarHBondContact O-N 2.84Å; Q113-E116 PolarHBondContact O-N 2.83Å; E116-K119 PolarHBondContact O-N 2.92Å; E116-A120 WeakPolarHBondContact O-CB 3.23Å; E116-A120 PolarHBondContact O-N 3.12Å |
| 117 | F | 85.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 88 Ų | 88 | 2% | 0.022 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 173.7 | 177.6 | -90.3 | 0 | 0 | 0 | 111.7 | A2 L4 I15 M18 Q113 I114 K119 A120 E121 | A2-F117 HydrophobicContact CB-CD2 4.03Å; A2-F117 WeakPolarHBondContact O-CD2 3.45Å; A2-F117 WeakPolarHBondContact O-CE2 3.4Å; L4-F117 HydrophobicContact CD1-CD1 3.98Å; L4-F117 HydrophobicContact CD1-CD2 4.2Å; L4-F117 HydrophobicContact CD1-CE1 3.63Å; L4-F117 HydrophobicContact CD1-CE2 3.88Å; L4-F117 HydrophobicContact CD1-CG 4.25Å; L4-F117 HydrophobicContact CD1-CZ 3.57Å; L4-F117 HydrophobicContact CG-CD2 4.24Å; L4-F117 HydrophobicContact CG-CE2 4.26Å; L4-F117 HydrophobicContact CG-CG 4.41Å; L4-F117 HydrophobicContact CG-CZ 4.43Å; I15-F117 HydrophobicContact CD1-CZ 4.13Å; I15-F117 HydrophobicContact CG1-CE1 3.98Å; I15-F117 HydrophobicContact CG1-CZ 3.88Å; M18-F117 HydrophobicContact CE-CD1 3.35Å; M18-F117 HydrophobicContact CE-CE1 3.48Å; M18-F117 VanDerWaalsContact CE-CE1 3.48Å; M18-F117 HydrophobicContact SD-CD1 3.66Å; M18-F117 HydrophobicContact SD-CE1 3.74Å; Q113-F117 WeakPolarHBondContact O-CB 3.42Å; Q113-F117 PolarHBondContact O-N 2.94Å; I114-F117 PolarHBondContact O-N 2.87Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.28Å; F117-A120 PolarHBondContact O-N 3.39Å; F117-E121 HydrophobicContact CD1-CG 4.18Å; F117-E121 HydrophobicContact CD2-CG 4.36Å; F117-E121 HydrophobicContact CE1-CG 3.69Å; F117-E121 HydrophobicContact CE2-CG 3.87Å; F117-E121 HydrophobicContact CG-CG 4.5Å; F117-E121 HydrophobicContact CZ-CG 3.52Å; F117-E121 PolarHBondContact O-N 2.82Å |
| 118 | E | 86.1 | Confident | 75.8 | Confident | 38 Ų | 38 | 94.2 Ų | 94.2 | 18% | 0.178 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -54.8 | -47.9 | 175.3 | -172.8 | -171.4 | 177.6 | 0 | 0 | 110.1 | M18 R25 I114 A115 F122 | M18-E118 HydrophobicContact SD-CB 4.37Å; R25-E118 IonicContact CZ-OE1 3.83Å; R25-E118 IonicContact NH1-OE1 3.99Å; R25-E118 IonicContact NH1-OE2 2.75Å; R25-E118 IonicContact NH2-OE1 3.96Å; R25-E118 PolarHBondContact NH2-OE1 3.44Å; R25-E118 IonicContact NH2-OE2 3.72Å; I114-E118 WeakPolarHBondContact O-CB 3.11Å; I114-E118 PolarHBondContact O-N 3.35Å; A115-E118 PolarHBondContact O-N 2.81Å; E118-F122 HydrophobicContact CG-CD2 3.65Å; E118-F122 HydrophobicContact CG-CE2 3.73Å; E118-F122 WeakPolarHBondContact O-CD2 3.22Å; E118-F122 PolarHBondContact O-N 2.86Å; E118-F122 VanDerWaalsContact O-N 3.17Å |
| 119 | K | 86.3 | Confident | 73.7 | Confident | 138 Ų | 138 | 90.1 Ų | 90.1 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 177.9 | -72.3 | 170.2 | -173.6 | 171.4 | 0 | 111.8 | A115 E116 F117 F122 T123 | A115-K119 VanDerWaalsContact O-CG 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.14Å; A115-K119 PolarHBondContact O-N 3.31Å; E116-K119 PolarHBondContact O-N 2.92Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.28Å; K119-F122 PolarHBondContact O-N 3.21Å; K119-T123 VanDerWaalsContact O-CB 3.29Å; K119-T123 WeakPolarHBondContact O-CB 3.3Å; K119-T123 WeakPolarHBondContact O-CG2 3.35Å; K119-T123 PolarHBondContact O-N 2.96Å; K119-T123 PolarHBondContact O-OG1 2.91Å |
| 120 | A | 84 | Confident | 71.6 | Confident | 49 Ų | 49 | 91.1 Ų | 91.1 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E116 F117 S124 | E116-A120 WeakPolarHBondContact O-CB 3.23Å; E116-A120 PolarHBondContact O-N 3.12Å; F117-A120 PolarHBondContact O-N 3.39Å; A120-S124 WeakPolarHBondContact O-CB 3.16Å; A120-S124 PolarHBondContact O-N 2.86Å; A120-S124 PolarHBondContact O-OG 3.27Å |
| 121 | E | 81.9 | Confident | 69.8 | Low | 36 Ų | 36 | 94.7 Ų | 94.7 | 17% | 0.168 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.6 | -36.7 | -179.8 | -75.2 | -60.5 | 124.8 | 0 | 0 | 112.5 | F117 S124 S125 | F117-E121 HydrophobicContact CD1-CG 4.18Å; F117-E121 HydrophobicContact CD2-CG 4.36Å; F117-E121 HydrophobicContact CE1-CG 3.69Å; F117-E121 HydrophobicContact CE2-CG 3.87Å; F117-E121 HydrophobicContact CG-CG 4.5Å; F117-E121 HydrophobicContact CZ-CG 3.52Å; F117-E121 PolarHBondContact O-N 2.82Å; E121-S124 PolarHBondContact O-OG 3.07Å; E121-S125 WeakPolarHBondContact O-CB 3.29Å; E121-S125 PolarHBondContact O-OG 3.37Å |
| 122 | F | 75.4 | Confident | 67.4 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 18% | 0.175 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -97.9 | -12.2 | -175 | -63.6 | -61.1 | 0 | 0 | 0 | 115.8 | M18 R19 R22 E118 K119 | M18-F122 HydrophobicContact CB-CE2 4.17Å; M18-F122 HydrophobicContact CB-CZ 4.27Å; R19-F122 HydrophobicContact CB-CZ 4.37Å; R19-F122 HydrophobicContact CG-CE1 3.32Å; R19-F122 HydrophobicContact CG-CZ 3.43Å; R19-F122 VanDerWaalsContact CG-CZ 3.43Å; R22-F122 VanDerWaalsContact NH1-CG 3.26Å; E118-F122 HydrophobicContact CG-CD2 3.65Å; E118-F122 HydrophobicContact CG-CE2 3.73Å; E118-F122 WeakPolarHBondContact O-CD2 3.22Å; E118-F122 PolarHBondContact O-N 2.86Å; E118-F122 VanDerWaalsContact O-N 3.17Å; K119-F122 PolarHBondContact O-N 3.21Å |
| 123 | T | 70.4 | Confident | 65.4 | Low | 102 Ų | 102 | 97.4 Ų | 97.4 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -84.8 | -34.5 | 171.3 | 51.9 | 0 | 0 | 0 | 0 | 112 | K119 S125 | K119-T123 VanDerWaalsContact O-CB 3.29Å; K119-T123 WeakPolarHBondContact O-CB 3.3Å; K119-T123 WeakPolarHBondContact O-CG2 3.35Å; K119-T123 PolarHBondContact O-N 2.96Å; K119-T123 PolarHBondContact O-OG1 2.91Å; T123-S125 VanDerWaalsContact C-N 3.3Å; T123-S125 PolarHBondContact O-N 3.31Å |
| 124 | S | 58.6 | Low | 63.2 | Low | 89 Ų | 89 | 97.1 Ų | 97.1 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.4 | -21.5 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | A120 E121 S126 | A120-S124 WeakPolarHBondContact O-CB 3.16Å; A120-S124 PolarHBondContact O-N 2.86Å; A120-S124 PolarHBondContact O-OG 3.27Å; E121-S124 PolarHBondContact O-OG 3.07Å; S124-S126 PolarHBondContact O-N 3.26Å |
| 125 | S | 52.8 | Low | 61.5 | Low | 56 Ų | 56 | 102.1 Ų | 102.1 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | trans | -90.3 | 48.4 | -174.6 | -60.8 | 0 | 0 | 0 | 0 | 114.6 | E121 T123 K127 | E121-S125 WeakPolarHBondContact O-CB 3.29Å; E121-S125 PolarHBondContact O-OG 3.37Å; T123-S125 VanDerWaalsContact C-N 3.3Å; T123-S125 PolarHBondContact O-N 3.31Å; S125-K127 PolarHBondContact O-N 2.83Å | ||
| 126 | S | 42 | Very low | 59.5 | Low | 116 Ų | 116 | 106 Ų | 106 | 81% | 0.811 | 57% | 0.567 | S | S | * | * | trans | -70.1 | 10.4 | 172.2 | -56.8 | 0 | 0 | 0 | 0 | 114.1 | S124 | S124-S126 PolarHBondContact O-N 3.26Š| ||
| 127 | K | 46.2 | Very low | 57.5 | Low | 196 Ų | 196 | 108.8 Ų | 108.8 | 85% | 0.852 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -98.6 | 118.5 | 174.3 | -71.9 | -177.7 | 179 | 176.4 | 0 | 108.9 | S125 | S125-K127 PolarHBondContact O-N 2.83Š|
| 128 | K | 40.1 | Very low | 55.5 | Low | 195 Ų | 195 | 115.7 Ų | 115.7 | 85% | 0.848 | 61% | 0.614 | S | S | * | * | trans | -31.1 | 134.5 | -177.8 | -67.8 | 174.9 | 175.7 | 177.7 | 0 | 113.7 | I130 | K128-I130 PolarHBondContact O-N 3.37Å; K128-I130 VanDerWaalsContact O-N 3.16Å | ||
| 129 | P | 42.7 | Very low | 53.5 | Low | 113 Ų | 113 | 119.5 Ų | 119.5 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -72.6 | 112 | 167.6 | 30.3 | -27.4 | 0 | 0 | 0 | 107.4 | I131 | P129-I131 VanDerWaalsContact C-N 3.29Å; P129-I131 PolarHBondContact O-N 2.87Å | ||
| 130 | I | 42.5 | Very low | 51.6 | Low | 149 Ų | 149 | 116.6 Ų | 116.6 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | trans | -67.3 | 103.8 | 156.9 | -67.4 | 171.4 | 0 | 0 | 0 | 104.6 | K128 D132 | K128-I130 PolarHBondContact O-N 3.37Å; K128-I130 VanDerWaalsContact O-N 3.16Å; I130-D132 HydrophobicContact CG2-CB 4.27Å; I130-D132 PolarHBondContact O-N 3.26Å | ||
| 131 | I | 48.7 | Very low | 49.9 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | trans | -68.1 | 85.1 | 166.1 | -62.3 | 167.6 | 0 | 0 | 0 | 105.2 | P129 I133 | P129-I131 VanDerWaalsContact C-N 3.29Å; P129-I131 PolarHBondContact O-N 2.87Å; I131-I133 HydrophobicContact CG2-CD1 3.54Å; I131-I133 HydrophobicContact CG2-CG1 3.57Å | ||
| 132 | D | 36.1 | Very low | 48.3 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 60% | 0.599 | 66% | 0.66 | S | S | * | * | trans | -90.2 | 98.2 | 163.2 | -134.7 | -35.6 | 0 | 0 | 0 | 106.8 | I130 T134 | I130-D132 HydrophobicContact CG2-CB 4.27Å; I130-D132 PolarHBondContact O-N 3.26Å; D132-T134 PolarHBondContact O-N 3.31Å; D132-T134 PolarHBondContact OD1-OG1 2.69Å | ||
| 133 | I | 46.8 | Very low | 47 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -74 | 11.3 | 170.9 | -69.3 | 156.7 | 0 | 0 | 0 | 110.4 | I131 K135 | I131-I133 HydrophobicContact CG2-CD1 3.54Å; I131-I133 HydrophobicContact CG2-CG1 3.57Å; I133-K135 PolarHBondContact O-N 2.73Å | ||
| 134 | T | 41.7 | Very low | 46 | Very low | 94 Ų | 94 | 124 Ų | 124 | 58% | 0.577 | 66% | 0.664 | S | S | * | * | trans | -64.4 | 96.6 | 154.6 | 47 | 0 | 0 | 0 | 0 | 106.7 | D132 P136 | D132-T134 PolarHBondContact O-N 3.31Å; D132-T134 PolarHBondContact OD1-OG1 2.69Å; T134-P136 WeakPolarHBondContact O-CD 3.25Å | ||
| 135 | K | 50.5 | Low | 46 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 79% | 0.787 | 65% | 0.646 | S | S | * | * | trans | -36 | 118.2 | 156.6 | -70.1 | 175.8 | 178.5 | 177.8 | 0 | 105 | I133 K137 | I133-K135 PolarHBondContact O-N 2.73Å; K135-K137 PolarHBondContact O-N 2.82Å | ||
| 136 | P | 44.9 | Very low | 46.1 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | trans | -61.5 | 92.9 | 148.5 | 22.2 | -16.5 | 0 | 0 | 0 | 101.6 | T134 L138 | T134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-L138 PolarHBondContact O-N 3.48Å | ||
| 137 | K | 44.8 | Very low | 47.1 | Very low | 179 Ų | 179 | 119 Ų | 119 | 78% | 0.778 | 63% | 0.627 | S | S | * | * | trans | -44.6 | 111.4 | 150.1 | -91.8 | -177.7 | 175.1 | 179.4 | 0 | 101.2 | K135 V139 | K135-K137 PolarHBondContact O-N 2.82Å; K137-V139 PolarHBondContact O-N 2.9Å | ||
| 138 | L | 43.7 | Very low | 48.3 | Very low | 151 Ų | 151 | 114.4 Ų | 114.4 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -32.6 | 99.2 | 174.9 | -70.1 | 158.9 | 0 | 0 | 0 | 105.7 | P136 P140 | P136-L138 PolarHBondContact O-N 3.48Å; L138-P140 VanDerWaalsContact O-CD 3.32Å; L138-P140 WeakPolarHBondContact O-CD 3.41Å | ||
| 139 | V | 44.4 | Very low | 49.8 | Very low | 117 Ų | 117 | 110.6 Ų | 110.6 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | trans | -67.4 | 119.9 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 99.6 | K137 I141 | K137-V139 PolarHBondContact O-N 2.9Å; V139-I141 PolarHBondContact O-N 3.48Å | ||
| 140 | P | 45.1 | Very low | 51.5 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 51% | 0.506 | 59% | 0.588 | S | S | . | * | trans | -49.1 | 115.8 | 178.9 | -20.8 | 29.7 | 0 | 0 | 0 | 105.7 | L138 N142 E143 | L138-P140 VanDerWaalsContact O-CD 3.32Å; L138-P140 WeakPolarHBondContact O-CD 3.41Å; P140-N142 PolarHBondContact O-N 3.13Å; P140-E143 HydrophobicContact CB-CG 4.01Å | ||
| 141 | I | 49.6 | Very low | 53.4 | Low | 128 Ų | 128 | 107 Ų | 107 | 66% | 0.656 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -66.1 | 90 | 166.9 | -76.6 | 177.8 | 0 | 0 | 0 | 102.9 | H9 V139 | H9-I141 HydrophobicContact CB-CD1 4.4Å; H9-I141 WeakPolarHBondContact CD2-CD1 3.11Å; H9-I141 VanDerWaalsContact NE2-CD1 3.33Å; H9-I141 WeakPolarHBondContact NE2-CD1 2.98Å; V139-I141 PolarHBondContact O-N 3.48Å |
| 142 | N | 48 | Very low | 55.1 | Low | 81 Ų | 81 | 107 Ų | 107 | 43% | 0.433 | 57% | 0.567 | S | S | . | * | trans | 37.8 | 91 | 178.7 | -144.5 | 8.1 | 0 | 0 | 0 | 113 | P140 G144 G145 | P140-N142 PolarHBondContact O-N 3.13Å; N142-G144 PolarHBondContact O-N 3.46Å; N142-G144 WeakPolarHBondContact OD1-CA 3.14Å; N142-G144 PolarHBondContact OD1-N 2.89Å; N142-G145 VanDerWaalsContact CB-N 3.35Å; N142-G145 WeakPolarHBondContact ND2-CA 3.34Å; N142-G145 PolarHBondContact ND2-N 3.08Å; N142-G145 PolarHBondContact O-N 3.43Å | ||
| 143 | E | 47.2 | Very low | 57.4 | Low | 159 Ų | 159 | 105.5 Ų | 105.5 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -5.1 | 148.6 | -82.2 | -178.9 | 178.9 | 0 | 0 | 111.9 | P140 T147 | P140-E143 HydrophobicContact CB-CG 4.01Å; E143-T147 WeakPolarHBondContact O-CB 3.24Å; E143-T147 PolarHBondContact O-OG1 3.5Å |
| 144 | G | 49.5 | Very low | 59.4 | Low | 14 Ų | 14 | 101.7 Ų | 101.7 | 14% | 0.144 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -0.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N142 E148 | N142-G144 PolarHBondContact O-N 3.46Å; N142-G144 WeakPolarHBondContact OD1-CA 3.14Å; N142-G144 PolarHBondContact OD1-N 2.89Å; G144-E148 VanDerWaalsContact O-CA 3.23Å; G144-E148 WeakPolarHBondContact O-CA 3.16Å; G144-E148 WeakPolarHBondContact O-CB 3.15Å; G144-E148 WeakPolarHBondContact O-CG 3.2Å; G144-E148 PolarHBondContact O-N 3.25Å |
| 145 | G | 58.1 | Low | 61.7 | Low | 24 Ų | 24 | 101.7 Ų | 101.7 | 25% | 0.247 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -75.1 | -66 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N142 T147 L149 | N142-G145 VanDerWaalsContact CB-N 3.35Å; N142-G145 WeakPolarHBondContact ND2-CA 3.34Å; N142-G145 PolarHBondContact ND2-N 3.08Å; N142-G145 PolarHBondContact O-N 3.43Å; G145-T147 VanDerWaalsContact C-N 3.25Å; G145-T147 PolarHBondContact O-N 3.5Å; G145-L149 WeakPolarHBondContact O-CB 3.47Å; G145-L149 VanDerWaalsContact O-CG 3.23Å; G145-L149 WeakPolarHBondContact O-CG 3.37Å; G145-L149 PolarHBondContact O-N 2.89Å |
| 146 | T | 55.2 | Low | 63.8 | Low | 72 Ų | 72 | 99.8 Ų | 99.8 | 44% | 0.442 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -32.4 | 169.7 | 35.8 | 0 | 0 | 0 | 0 | 111.4 | W94 L149 L150 | W94-T146 HydrophobicContact CH2-CG2 4.29Å; W94-T146 WeakPolarHBondContact CH2-OG1 3.42Å; W94-T146 HydrophobicContact CZ3-CG2 3.93Å; W94-T146 WeakPolarHBondContact CZ3-OG1 3.33Å; T146-L149 PolarHBondContact O-N 2.98Å; T146-L150 WeakPolarHBondContact O-CB 3.33Å; T146-L150 PolarHBondContact O-N 2.91Å |
| 147 | T | 63.5 | Low | 66.2 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 36% | 0.362 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.7 | -31.1 | -179.9 | -21.9 | 0 | 0 | 0 | 0 | 112.7 | E143 G145 N151 | E143-T147 WeakPolarHBondContact O-CB 3.24Å; E143-T147 PolarHBondContact O-OG1 3.5Å; G145-T147 VanDerWaalsContact C-N 3.25Å; G145-T147 PolarHBondContact O-N 3.5Å; T147-N151 WeakPolarHBondContact O-CA 3.21Å; T147-N151 WeakPolarHBondContact O-CB 3.48Å; T147-N151 PolarHBondContact O-N 3.21Å; T147-N151 PolarHBondContact O-ND2 3.36Å; T147-N151 VanDerWaalsContact O-ND2 3.07Å |
| 148 | E | 70.6 | Confident | 68.5 | Low | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.8 | -36.2 | 168 | -72.9 | 164.5 | -170.4 | 0 | 0 | 110.9 | G144 N151 K152 | G144-E148 VanDerWaalsContact O-CA 3.23Å; G144-E148 WeakPolarHBondContact O-CA 3.16Å; G144-E148 WeakPolarHBondContact O-CB 3.15Å; G144-E148 WeakPolarHBondContact O-CG 3.2Å; G144-E148 PolarHBondContact O-N 3.25Å; E148-N151 PolarHBondContact O-N 2.92Å; E148-K152 WeakPolarHBondContact O-CB 3.49Å; E148-K152 WeakPolarHBondContact O-CG 3.29Å; E148-K152 PolarHBondContact O-N 3.37Å |
| 149 | L | 72.9 | Confident | 70.9 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 172.1 | -72 | 173.7 | 0 | 0 | 0 | 110.8 | G145 T146 K152 E153 | G145-L149 WeakPolarHBondContact O-CB 3.47Å; G145-L149 VanDerWaalsContact O-CG 3.23Å; G145-L149 WeakPolarHBondContact O-CG 3.37Å; G145-L149 PolarHBondContact O-N 2.89Å; T146-L149 PolarHBondContact O-N 2.98Å; L149-K152 PolarHBondContact O-N 3.19Å; L149-E153 WeakPolarHBondContact O-CB 3.33Å; L149-E153 PolarHBondContact O-N 2.89Å |
| 150 | L | 78.6 | Confident | 73.3 | Confident | 103 Ų | 103 | 93.1 Ų | 93.1 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 172.9 | -164.7 | 86.2 | 0 | 0 | 0 | 110.6 | T146 K152 E153 I154 | T146-L150 WeakPolarHBondContact O-CB 3.33Å; T146-L150 PolarHBondContact O-N 2.91Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-K152 PolarHBondContact O-N 3.4Å; L150-E153 CarbonylContact O-C 3.58Å; L150-E153 PolarHBondContact O-N 3.24Å; L150-I154 HydrophobicContact CD2-CD1 3.93Å; L150-I154 HydrophobicContact CG-CD1 3.86Å; L150-I154 HydrophobicContact CG-CG1 4.42Å; L150-I154 VanDerWaalsContact O-CB 3.28Å; L150-I154 WeakPolarHBondContact O-CB 3.3Å; L150-I154 WeakPolarHBondContact O-CD1 3.38Å; L150-I154 WeakPolarHBondContact O-CG1 3.3Å; L150-I154 PolarHBondContact O-N 2.84Å |
| 151 | N | 81.6 | Confident | 75.7 | Confident | 83 Ų | 83 | 93.7 Ų | 93.7 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 176 | -77.7 | -27.7 | 0 | 0 | 0 | 111.8 | T147 E148 L155 | T147-N151 WeakPolarHBondContact O-CA 3.21Å; T147-N151 WeakPolarHBondContact O-CB 3.48Å; T147-N151 PolarHBondContact O-N 3.21Å; T147-N151 PolarHBondContact O-ND2 3.36Å; T147-N151 VanDerWaalsContact O-ND2 3.07Å; E148-N151 PolarHBondContact O-N 2.92Å; N151-L155 WeakPolarHBondContact O-CB 3.31Å; N151-L155 WeakPolarHBondContact O-CG 3.47Å; N151-L155 PolarHBondContact O-N 3.39Å |
| 152 | K | 84.9 | Confident | 77.9 | Confident | 134 Ų | 134 | 92.7 Ų | 92.7 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 172.2 | -81.7 | 174.1 | 179.3 | 173.3 | 0 | 110.9 | E148 L149 L150 L155 R156 | E148-K152 WeakPolarHBondContact O-CB 3.49Å; E148-K152 WeakPolarHBondContact O-CG 3.29Å; E148-K152 PolarHBondContact O-N 3.37Å; L149-K152 PolarHBondContact O-N 3.19Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-K152 PolarHBondContact O-N 3.4Å; K152-L155 PolarHBondContact O-N 3.49Å; K152-R156 VanDerWaalsContact O-CB 3.27Å; K152-R156 WeakPolarHBondContact O-CB 3.44Å; K152-R156 PolarHBondContact O-N 2.91Å |
| 153 | E | 83.6 | Confident | 80.1 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70 | -38.5 | 176.2 | -167.4 | 59.9 | -158.3 | 0 | 0 | 111.4 | L149 L150 R156 L157 | L149-E153 WeakPolarHBondContact O-CB 3.33Å; L149-E153 PolarHBondContact O-N 2.89Å; L150-E153 CarbonylContact O-C 3.58Å; L150-E153 PolarHBondContact O-N 3.24Å; E153-R156 PolarHBondContact O-N 3.46Å; E153-R156 IonicContact OE1-NH1 2.9Å; E153-R156 IonicContact OE2-NH1 2.91Å; E153-L157 HydrophobicContact CG-CD1 4.19Å; E153-L157 HydrophobicContact CG-CG 4.49Å; E153-L157 VanDerWaalsContact O-CB 3.29Å; E153-L157 WeakPolarHBondContact O-CB 3.41Å; E153-L157 VanDerWaalsContact O-CG 3.22Å; E153-L157 WeakPolarHBondContact O-CG 3.34Å; E153-L157 PolarHBondContact O-N 3.48Å |
| 154 | I | 88.6 | Confident | 82.4 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 33% | 0.333 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 172.1 | -72 | 164.3 | 0 | 0 | 0 | 110 | L150 R156 L157 Q158 | L150-I154 HydrophobicContact CD2-CD1 3.93Å; L150-I154 HydrophobicContact CG-CD1 3.86Å; L150-I154 HydrophobicContact CG-CG1 4.42Å; L150-I154 VanDerWaalsContact O-CB 3.28Å; L150-I154 WeakPolarHBondContact O-CB 3.3Å; L150-I154 WeakPolarHBondContact O-CD1 3.38Å; L150-I154 WeakPolarHBondContact O-CG1 3.3Å; L150-I154 PolarHBondContact O-N 2.84Å; I154-R156 VanDerWaalsContact C-N 3.35Å; I154-R156 PolarHBondContact O-N 2.87Å; I154-L157 PolarHBondContact O-N 2.83Å; I154-Q158 HydrophobicContact CG2-CG 4.29Å; I154-Q158 VanDerWaalsContact O-CB 3.26Å; I154-Q158 WeakPolarHBondContact O-CB 3.37Å; I154-Q158 WeakPolarHBondContact O-CG 3.44Å; I154-Q158 PolarHBondContact O-N 3.5Å |
| 155 | L | 91.3 | Very high | 84.6 | Confident | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.2 | -88.2 | 163.2 | 0 | 0 | 0 | 111.4 | N151 K152 Q158 Q159 | N151-L155 WeakPolarHBondContact O-CB 3.31Å; N151-L155 WeakPolarHBondContact O-CG 3.47Å; N151-L155 PolarHBondContact O-N 3.39Å; K152-L155 PolarHBondContact O-N 3.49Å; L155-Q158 PolarHBondContact O-N 3.29Å; L155-Q159 WeakPolarHBondContact O-CB 3.41Å; L155-Q159 VanDerWaalsContact O-CG 3.26Å; L155-Q159 WeakPolarHBondContact O-CG 3.3Å; L155-Q159 PolarHBondContact O-N 3.37Å |
| 156 | R | 94.6 | Very high | 86.4 | Confident | 142 Ų | 142 | 99.2 Ų | 99.2 | 54% | 0.536 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 175.7 | -179 | -168.6 | 162.7 | -173.2 | -2.4 | 111 | K152 E153 I154 Q158 Q159 E160 | K152-R156 VanDerWaalsContact O-CB 3.27Å; K152-R156 WeakPolarHBondContact O-CB 3.44Å; K152-R156 PolarHBondContact O-N 2.91Å; E153-R156 PolarHBondContact O-N 3.46Å; E153-R156 IonicContact OE1-NH1 2.9Å; E153-R156 IonicContact OE2-NH1 2.91Å; I154-R156 VanDerWaalsContact C-N 3.35Å; I154-R156 PolarHBondContact O-N 2.87Å; R156-Q158 VanDerWaalsContact C-N 3.3Å; R156-Q158 PolarHBondContact O-N 3.28Å; R156-Q159 PolarHBondContact O-N 2.8Å; R156-E160 WeakPolarHBondContact O-CB 3.28Å; R156-E160 PolarHBondContact O-N 3.3Å |
| 157 | L | 93.4 | Very high | 88.3 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -34.6 | 177.3 | -73.5 | 171.3 | 0 | 0 | 0 | 111.9 | E153 I154 N161 | E153-L157 HydrophobicContact CG-CD1 4.19Å; E153-L157 HydrophobicContact CG-CG 4.49Å; E153-L157 VanDerWaalsContact O-CB 3.29Å; E153-L157 WeakPolarHBondContact O-CB 3.41Å; E153-L157 VanDerWaalsContact O-CG 3.22Å; E153-L157 WeakPolarHBondContact O-CG 3.34Å; E153-L157 PolarHBondContact O-N 3.48Å; I154-L157 PolarHBondContact O-N 2.83Å; L157-N161 VanDerWaalsContact O-CB 3.27Å; L157-N161 WeakPolarHBondContact O-CB 3.24Å; L157-N161 PolarHBondContact O-N 2.79Å; L157-N161 PolarHBondContact O-ND2 2.8Å |
| 158 | Q | 94.4 | Very high | 89.8 | Confident | 108 Ų | 108 | 105.5 Ų | 105.5 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 173.2 | -78.4 | 174.5 | -11 | 0 | 0 | 111.4 | I154 L155 R156 E160 N161 E162 | I154-Q158 HydrophobicContact CG2-CG 4.29Å; I154-Q158 VanDerWaalsContact O-CB 3.26Å; I154-Q158 WeakPolarHBondContact O-CB 3.37Å; I154-Q158 WeakPolarHBondContact O-CG 3.44Å; I154-Q158 PolarHBondContact O-N 3.5Å; L155-Q158 PolarHBondContact O-N 3.29Å; R156-Q158 VanDerWaalsContact C-N 3.3Å; R156-Q158 PolarHBondContact O-N 3.28Å; Q158-E160 VanDerWaalsContact C-N 3.33Å; Q158-E160 PolarHBondContact O-N 2.8Å; Q158-N161 PolarHBondContact O-N 3.41Å; Q158-E162 WeakPolarHBondContact O-CG 3.49Å; Q158-E162 PolarHBondContact O-N 2.92Å |
| 159 | Q | 94.5 | Very high | 91 | Very high | 136 Ų | 136 | 107.2 Ų | 107.2 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 174.7 | -75.4 | 174.5 | -0.9 | 0 | 0 | 111.7 | L155 R156 E162 K163 | L155-Q159 WeakPolarHBondContact O-CB 3.41Å; L155-Q159 VanDerWaalsContact O-CG 3.26Å; L155-Q159 WeakPolarHBondContact O-CG 3.3Å; L155-Q159 PolarHBondContact O-N 3.37Å; R156-Q159 PolarHBondContact O-N 2.8Å; Q159-E162 PolarHBondContact O-N 3.04Å; Q159-K163 VanDerWaalsContact O-CB 3.32Å; Q159-K163 WeakPolarHBondContact O-CB 3.33Å; Q159-K163 PolarHBondContact O-N 2.86Å |
| 160 | E | 94.4 | Very high | 92.1 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 176.7 | -167.9 | 164.7 | -167.9 | 0 | 0 | 111.1 | R156 Q158 K163 L164 | R156-E160 WeakPolarHBondContact O-CB 3.28Å; R156-E160 PolarHBondContact O-N 3.3Å; Q158-E160 VanDerWaalsContact C-N 3.33Å; Q158-E160 PolarHBondContact O-N 2.8Å; E160-K163 PolarHBondContact O-N 3.26Å; E160-L164 HydrophobicContact CG-CD1 4.38Å; E160-L164 WeakPolarHBondContact O-CB 3.5Å; E160-L164 VanDerWaalsContact O-CG 3.28Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.45Å |
| 161 | N | 94.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 105.1 Ų | 105.1 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 172.7 | -88.6 | -51.7 | 0 | 0 | 0 | 112.8 | L157 Q158 K163 L164 K165 | L157-N161 VanDerWaalsContact O-CB 3.27Å; L157-N161 WeakPolarHBondContact O-CB 3.24Å; L157-N161 PolarHBondContact O-N 2.79Å; L157-N161 PolarHBondContact O-ND2 2.8Å; Q158-N161 PolarHBondContact O-N 3.41Å; N161-K163 VanDerWaalsContact C-N 3.34Å; N161-L164 PolarHBondContact O-N 3.25Å; N161-K165 WeakPolarHBondContact O-CB 3.41Å; N161-K165 WeakPolarHBondContact O-CG 3.38Å; N161-K165 PolarHBondContact O-N 2.79Å |
| 162 | E | 95.7 | Very high | 93.5 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 176.3 | -72.6 | -56.1 | 128.1 | 0 | 0 | 111.8 | Q158 Q159 K165 S166 | Q158-E162 WeakPolarHBondContact O-CG 3.49Å; Q158-E162 PolarHBondContact O-N 2.92Å; Q159-E162 PolarHBondContact O-N 3.04Å; E162-K165 PolarHBondContact O-N 3.37Å; E162-K165 IonicContact OE1-NZ 3.79Å; E162-K165 PolarHBondContact OE1-NZ 3.43Å; E162-S166 WeakPolarHBondContact O-CB 2.85Å; E162-S166 PolarHBondContact O-N 2.88Å; E162-S166 PolarHBondContact O-OG 3.31Å |
| 163 | K | 95.6 | Very high | 94.1 | Very high | 137 Ų | 137 | 104 Ų | 104 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | 172.1 | -169.8 | 177.2 | -178 | 179.4 | 0 | 112 | Q159 E160 N161 S166 R167 | Q159-K163 VanDerWaalsContact O-CB 3.32Å; Q159-K163 WeakPolarHBondContact O-CB 3.33Å; Q159-K163 PolarHBondContact O-N 2.86Å; E160-K163 PolarHBondContact O-N 3.26Å; N161-K163 VanDerWaalsContact C-N 3.34Å; K163-S166 WeakPolarHBondContact CA-OG 3.31Å; K163-S166 PolarHBondContact O-OG 2.87Å; K163-R167 WeakPolarHBondContact O-CB 3.35Å; K163-R167 PolarHBondContact O-N 2.89Å |
| 164 | L | 95.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 105.8 Ų | 105.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 175 | -73.9 | 172 | 0 | 0 | 0 | 110.8 | E160 N161 S166 R167 L168 | E160-L164 HydrophobicContact CG-CD1 4.38Å; E160-L164 WeakPolarHBondContact O-CB 3.5Å; E160-L164 VanDerWaalsContact O-CG 3.28Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.45Å; N161-L164 PolarHBondContact O-N 3.25Å; L164-S166 PolarHBondContact O-N 2.87Å; L164-R167 WeakPolarHBondContact O-CB 3.34Å; L164-R167 PolarHBondContact O-N 3.02Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 PolarHBondContact O-N 2.77Å |
| 165 | K | 95.6 | Very high | 94.9 | Very high | 122 Ų | 122 | 106.9 Ų | 106.9 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 175.5 | -77.2 | 178.6 | -170.4 | 167.8 | 0 | 112.5 | N161 E162 L168 K169 | N161-K165 WeakPolarHBondContact O-CB 3.41Å; N161-K165 WeakPolarHBondContact O-CG 3.38Å; N161-K165 PolarHBondContact O-N 2.79Å; E162-K165 PolarHBondContact O-N 3.37Å; E162-K165 IonicContact OE1-NZ 3.79Å; E162-K165 PolarHBondContact OE1-NZ 3.43Å; K165-L168 PolarHBondContact O-N 3.49Å; K165-K169 WeakPolarHBondContact O-CB 3.38Å; K165-K169 PolarHBondContact O-N 2.84Å |
| 166 | S | 95.3 | Very high | 95 | Very high | 62 Ų | 62 | 105.9 Ų | 105.9 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | E162 K163 L164 L168 K169 T170 | E162-S166 WeakPolarHBondContact O-CB 2.85Å; E162-S166 PolarHBondContact O-N 2.88Å; E162-S166 PolarHBondContact O-OG 3.31Å; K163-S166 WeakPolarHBondContact CA-OG 3.31Å; K163-S166 PolarHBondContact O-OG 2.87Å; L164-S166 PolarHBondContact O-N 2.87Å; S166-L168 PolarHBondContact O-N 3.25Å; S166-K169 PolarHBondContact O-N 3.33Å; S166-T170 PolarHBondContact O-N 2.88Å; S166-T170 PolarHBondContact O-OG1 2.88Å; S166-T170 VanDerWaalsContact O-OG1 3.08Å |
| 167 | R | 95.3 | Very high | 95.1 | Very high | 163 Ų | 163 | 103 Ų | 103 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -44.7 | 171.3 | -87.1 | -176.5 | 159.3 | -174.9 | -6.4 | 112.5 | K163 L164 K169 T170 I171 | K163-R167 WeakPolarHBondContact O-CB 3.35Å; K163-R167 PolarHBondContact O-N 2.89Å; L164-R167 WeakPolarHBondContact O-CB 3.34Å; L164-R167 PolarHBondContact O-N 3.02Å; R167-K169 VanDerWaalsContact C-N 3.34Å; R167-K169 PolarHBondContact O-N 2.84Å; R167-T170 PolarHBondContact O-N 3.43Å; R167-I171 WeakPolarHBondContact O-CG1 3.48Å; R167-I171 PolarHBondContact O-N 3.37Å |
| 168 | L | 95 | Very high | 95.1 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 179.1 | -140.8 | 167.6 | 0 | 0 | 0 | 109.8 | L164 K165 S166 T170 I171 E172 | L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 PolarHBondContact O-N 2.77Å; K165-L168 PolarHBondContact O-N 3.49Å; S166-L168 PolarHBondContact O-N 3.25Å; L168-T170 VanDerWaalsContact C-N 3.35Å; L168-T170 PolarHBondContact O-N 2.86Å; L168-I171 PolarHBondContact O-N 3.05Å; L168-E172 HydrophobicContact CD2-CG 3.91Å; L168-E172 WeakPolarHBondContact CD2-OE1 3.49Å; L168-E172 WeakPolarHBondContact O-CB 3.48Å; L168-E172 WeakPolarHBondContact O-CG 3.38Å; L168-E172 PolarHBondContact O-N 3.48Å |
| 169 | K | 96.2 | Very high | 95.2 | Very high | 137 Ų | 137 | 101.8 Ų | 101.8 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 174.9 | -169 | 175.6 | -176.3 | 178.3 | 0 | 112.7 | K165 S166 R167 E172 I173 | K165-K169 WeakPolarHBondContact O-CB 3.38Å; K165-K169 PolarHBondContact O-N 2.84Å; S166-K169 PolarHBondContact O-N 3.33Å; R167-K169 VanDerWaalsContact C-N 3.34Å; R167-K169 PolarHBondContact O-N 2.84Å; K169-E172 PolarHBondContact O-N 2.79Å; K169-I173 HydrophobicContact CG-CD1 4.19Å; K169-I173 WeakPolarHBondContact O-CD1 3.49Å; K169-I173 VanDerWaalsContact O-CG1 3.24Å; K169-I173 WeakPolarHBondContact O-CG1 3.46Å; K169-I173 PolarHBondContact O-N 2.99Å |
| 170 | T | 95.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 99.5 Ų | 99.5 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | S166 R167 L168 I173 Q174 | S166-T170 PolarHBondContact O-N 2.88Å; S166-T170 PolarHBondContact O-OG1 2.88Å; S166-T170 VanDerWaalsContact O-OG1 3.08Å; R167-T170 PolarHBondContact O-N 3.43Å; L168-T170 VanDerWaalsContact C-N 3.35Å; L168-T170 PolarHBondContact O-N 2.86Å; T170-I173 PolarHBondContact O-N 2.68Å; T170-Q174 WeakPolarHBondContact O-CB 3.42Å; T170-Q174 VanDerWaalsContact O-CG 3.31Å; T170-Q174 WeakPolarHBondContact O-CG 3.28Å; T170-Q174 PolarHBondContact O-N 2.82Å |
| 171 | I | 95.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 100.8 Ų | 100.8 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 178 | -68.7 | 168.9 | 0 | 0 | 0 | 110.5 | R167 L168 Q174 T175 | R167-I171 WeakPolarHBondContact O-CG1 3.48Å; R167-I171 PolarHBondContact O-N 3.37Å; L168-I171 PolarHBondContact O-N 3.05Å; I171-Q174 PolarHBondContact O-N 3.3Å; I171-T175 WeakPolarHBondContact O-CB 3.44Å; I171-T175 PolarHBondContact O-N 3.37Å; I171-T175 PolarHBondContact O-OG1 3.2Å |
| 172 | E | 95.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.9 | -50.9 | 173.7 | -79.2 | 175.2 | 167.2 | 0 | 0 | 110.9 | L168 K169 Q174 T175 T176 | L168-E172 HydrophobicContact CD2-CG 3.91Å; L168-E172 WeakPolarHBondContact CD2-OE1 3.49Å; L168-E172 WeakPolarHBondContact O-CB 3.48Å; L168-E172 WeakPolarHBondContact O-CG 3.38Å; L168-E172 PolarHBondContact O-N 3.48Å; K169-E172 PolarHBondContact O-N 2.79Å; E172-Q174 VanDerWaalsContact C-N 3.32Å; E172-Q174 PolarHBondContact O-N 3.49Å; E172-T175 PolarHBondContact O-N 3.07Å; E172-T175 VanDerWaalsContact O-N 3.13Å; E172-T176 WeakPolarHBondContact O-CG2 3.24Å; E172-T176 PolarHBondContact O-N 3.03Å; E172-T176 PolarHBondContact O-OG1 2.86Å |
| 173 | I | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 98.5 Ų | 98.5 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 177.3 | -67.9 | 164.4 | 0 | 0 | 0 | 111.3 | K169 T170 T175 T176 N177 | K169-I173 HydrophobicContact CG-CD1 4.19Å; K169-I173 WeakPolarHBondContact O-CD1 3.49Å; K169-I173 VanDerWaalsContact O-CG1 3.24Å; K169-I173 WeakPolarHBondContact O-CG1 3.46Å; K169-I173 PolarHBondContact O-N 2.99Å; T170-I173 PolarHBondContact O-N 2.68Å; I173-T175 VanDerWaalsContact C-N 3.32Å; I173-T175 PolarHBondContact O-N 2.73Å; I173-T176 WeakPolarHBondContact CA-OG1 3.4Å; I173-T176 PolarHBondContact O-N 3.29Å; I173-T176 PolarHBondContact O-OG1 2.92Å; I173-N177 WeakPolarHBondContact O-CB 3.39Å; I173-N177 PolarHBondContact O-N 3.36Å; I173-N177 PolarHBondContact O-ND2 3.4Å; I173-N177 PolarHBondContact O-OD1 2.74Å |
| 174 | Q | 95.4 | Very high | 95.2 | Very high | 120 Ų | 120 | 98.4 Ų | 98.4 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 176.8 | -75.1 | 175.4 | -7 | 0 | 0 | 111.6 | T170 I171 E172 N177 A178 | T170-Q174 WeakPolarHBondContact O-CB 3.42Å; T170-Q174 VanDerWaalsContact O-CG 3.31Å; T170-Q174 WeakPolarHBondContact O-CG 3.28Å; T170-Q174 PolarHBondContact O-N 2.82Å; I171-Q174 PolarHBondContact O-N 3.3Å; E172-Q174 VanDerWaalsContact C-N 3.32Å; E172-Q174 PolarHBondContact O-N 3.49Å; Q174-N177 PolarHBondContact O-N 2.73Å; Q174-A178 VanDerWaalsContact O-CB 3.28Å; Q174-A178 WeakPolarHBondContact O-CB 3.35Å; Q174-A178 PolarHBondContact O-N 3.42Å |
| 175 | T | 94.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 111 | I171 E172 I173 A178 L179 | I171-T175 WeakPolarHBondContact O-CB 3.44Å; I171-T175 PolarHBondContact O-N 3.37Å; I171-T175 PolarHBondContact O-OG1 3.2Å; E172-T175 PolarHBondContact O-N 3.07Å; E172-T175 VanDerWaalsContact O-N 3.13Å; I173-T175 VanDerWaalsContact C-N 3.32Å; I173-T175 PolarHBondContact O-N 2.73Å; T175-A178 PolarHBondContact O-N 2.71Å; T175-L179 VanDerWaalsContact O-CB 3.3Å; T175-L179 WeakPolarHBondContact O-CB 3.32Å; T175-L179 PolarHBondContact O-N 3.46Å |
| 176 | T | 94.6 | Very high | 95 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | E172 I173 L179 D180 | E172-T176 WeakPolarHBondContact O-CG2 3.24Å; E172-T176 PolarHBondContact O-N 3.03Å; E172-T176 PolarHBondContact O-OG1 2.86Å; I173-T176 WeakPolarHBondContact CA-OG1 3.4Å; I173-T176 PolarHBondContact O-N 3.29Å; I173-T176 PolarHBondContact O-OG1 2.92Å; T176-L179 WeakPolarHBondContact O-CB 3.4Å; T176-L179 PolarHBondContact O-N 3.31Å; T176-D180 PolarHBondContact O-N 2.96Å |
| 177 | N | 94.9 | Very high | 95 | Very high | 83 Ų | 83 | 103 Ų | 103 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.8 | -69 | -9.9 | 0 | 0 | 0 | 111.5 | I173 Q174 L179 D180 E181 | I173-N177 WeakPolarHBondContact O-CB 3.39Å; I173-N177 PolarHBondContact O-N 3.36Å; I173-N177 PolarHBondContact O-ND2 3.4Å; I173-N177 PolarHBondContact O-OD1 2.74Å; Q174-N177 PolarHBondContact O-N 2.73Å; N177-L179 VanDerWaalsContact C-N 3.29Å; N177-L179 PolarHBondContact O-N 2.63Å; N177-D180 PolarHBondContact O-N 3.49Å; N177-E181 WeakPolarHBondContact O-CB 3.39Å; N177-E181 WeakPolarHBondContact O-CG 3.45Å; N177-E181 PolarHBondContact O-N 2.71Å |
| 178 | A | 94.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q174 T175 K182 | Q174-A178 VanDerWaalsContact O-CB 3.28Å; Q174-A178 WeakPolarHBondContact O-CB 3.35Å; Q174-A178 PolarHBondContact O-N 3.42Å; T175-A178 PolarHBondContact O-N 2.71Å; A178-K182 VanDerWaalsContact O-CB 3.24Å; A178-K182 WeakPolarHBondContact O-CB 3.36Å; A178-K182 PolarHBondContact O-N 3.48Å |
| 179 | L | 95.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 174.1 | -173.9 | 67.2 | 0 | 0 | 0 | 111.7 | T175 T176 N177 K182 S183 | T175-L179 VanDerWaalsContact O-CB 3.3Å; T175-L179 WeakPolarHBondContact O-CB 3.32Å; T175-L179 PolarHBondContact O-N 3.46Å; T176-L179 WeakPolarHBondContact O-CB 3.4Å; T176-L179 PolarHBondContact O-N 3.31Å; N177-L179 VanDerWaalsContact C-N 3.29Å; N177-L179 PolarHBondContact O-N 2.63Å; L179-K182 PolarHBondContact O-N 3.19Å; L179-S183 WeakPolarHBondContact O-CB 3.26Å; L179-S183 PolarHBondContact O-N 3.44Å |
| 180 | D | 95.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 97.7 Ų | 97.7 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 175.7 | -77.3 | -14.2 | 0 | 0 | 0 | 111.3 | T176 N177 S183 K184 | T176-D180 PolarHBondContact O-N 2.96Å; N177-D180 PolarHBondContact O-N 3.49Å; D180-S183 PolarHBondContact O-N 3.35Å; D180-S183 PolarHBondContact O-OG 3.42Å; D180-K184 WeakPolarHBondContact O-CG 3.41Å; D180-K184 PolarHBondContact O-N 2.66Å |
| 181 | E | 95.1 | Very high | 94.4 | Very high | 123 Ų | 123 | 98.5 Ų | 98.5 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 173.9 | -75.6 | -178 | 174.9 | 0 | 0 | 111.6 | N177 S183 K184 L185 | N177-E181 WeakPolarHBondContact O-CB 3.39Å; N177-E181 WeakPolarHBondContact O-CG 3.45Å; N177-E181 PolarHBondContact O-N 2.71Å; E181-S183 VanDerWaalsContact C-N 3.3Å; E181-S183 PolarHBondContact O-N 3.47Å; E181-K184 PolarHBondContact O-N 2.93Å; E181-L185 WeakPolarHBondContact O-CB 3.39Å; E181-L185 WeakPolarHBondContact O-CG 3.29Å; E181-L185 PolarHBondContact O-N 3.31Å |
| 182 | K | 95.8 | Very high | 94.2 | Very high | 113 Ų | 113 | 99 Ų | 99 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.3 | -46 | 174 | 179.2 | -176.6 | 166.5 | -176.7 | 0 | 111 | A178 L179 K184 L185 E186 | A178-K182 VanDerWaalsContact O-CB 3.24Å; A178-K182 WeakPolarHBondContact O-CB 3.36Å; A178-K182 PolarHBondContact O-N 3.48Å; L179-K182 PolarHBondContact O-N 3.19Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K182-K184 PolarHBondContact O-N 3.32Å; K182-L185 PolarHBondContact O-N 2.92Å; K182-E186 WeakPolarHBondContact CE-OE1 3.22Å; K182-E186 HydrophobicContact CG-CG 4.43Å; K182-E186 IonicContact NZ-OE1 3.66Å; K182-E186 WeakPolarHBondContact O-CB 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.27Å; K182-E186 PolarHBondContact O-N 2.94Å |
| 183 | S | 94 | Very high | 93.9 | Very high | 35 Ų | 35 | 99.4 Ų | 99.4 | 25% | 0.245 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 179.9 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | L179 D180 E181 R187 | L179-S183 WeakPolarHBondContact O-CB 3.26Å; L179-S183 PolarHBondContact O-N 3.44Å; D180-S183 PolarHBondContact O-N 3.35Å; D180-S183 PolarHBondContact O-OG 3.42Å; E181-S183 VanDerWaalsContact C-N 3.3Å; E181-S183 PolarHBondContact O-N 3.47Å; S183-R187 WeakPolarHBondContact O-CG 3.27Å; S183-R187 PolarHBondContact O-N 3.39Å |
| 184 | K | 95.1 | Very high | 93.6 | Very high | 135 Ų | 135 | 99 Ų | 99 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -45.3 | 174 | -72.3 | 171.6 | -176 | 172.1 | 0 | 110.9 | D180 E181 K182 E186 R187 T188 | D180-K184 WeakPolarHBondContact O-CG 3.41Å; D180-K184 PolarHBondContact O-N 2.66Å; E181-K184 PolarHBondContact O-N 2.93Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K182-K184 PolarHBondContact O-N 3.32Å; K184-E186 VanDerWaalsContact C-N 3.35Å; K184-R187 PolarHBondContact O-N 2.82Å; K184-T188 WeakPolarHBondContact O-CG2 3.33Å; K184-T188 PolarHBondContact O-N 2.89Å; K184-T188 PolarHBondContact O-OG1 3.14Å |
| 185 | L | 94 | Very high | 93.1 | Very high | 110 Ų | 110 | 97.5 Ų | 97.5 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 177.7 | -73.1 | 171.3 | 0 | 0 | 0 | 111.7 | E181 K182 T188 L189 | E181-L185 WeakPolarHBondContact O-CB 3.39Å; E181-L185 WeakPolarHBondContact O-CG 3.29Å; E181-L185 PolarHBondContact O-N 3.31Å; K182-L185 PolarHBondContact O-N 2.92Å; L185-T188 VanDerWaalsContact CA-OG1 3.31Å; L185-T188 WeakPolarHBondContact CA-OG1 3.41Å; L185-T188 PolarHBondContact O-N 3.03Å; L185-T188 PolarHBondContact O-OG1 3.16Å; L185-L189 WeakPolarHBondContact O-CB 3.19Å; L185-L189 PolarHBondContact O-N 3.03Å |
| 186 | E | 93.6 | Very high | 92.7 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.9 | -79.5 | 176.6 | 168.6 | 0 | 0 | 111.5 | K182 K184 L189 Q190 | K182-E186 WeakPolarHBondContact CE-OE1 3.22Å; K182-E186 HydrophobicContact CG-CG 4.43Å; K182-E186 IonicContact NZ-OE1 3.66Å; K182-E186 WeakPolarHBondContact O-CB 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.27Å; K182-E186 PolarHBondContact O-N 2.94Å; K184-E186 VanDerWaalsContact C-N 3.35Å; E186-L189 PolarHBondContact O-N 2.85Å; E186-Q190 WeakPolarHBondContact O-CB 3.21Å; E186-Q190 PolarHBondContact O-N 2.52Å |
| 187 | R | 94 | Very high | 92 | Very high | 163 Ų | 163 | 101.6 Ų | 101.6 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -47.9 | 173.9 | -72.7 | 177.6 | -168.5 | 158.7 | 6.2 | 112.1 | S183 K184 L189 Q190 D191 | S183-R187 WeakPolarHBondContact O-CG 3.27Å; S183-R187 PolarHBondContact O-N 3.39Å; K184-R187 PolarHBondContact O-N 2.82Å; R187-L189 VanDerWaalsContact C-N 3.27Å; R187-L189 PolarHBondContact O-N 3.25Å; R187-Q190 WeakPolarHBondContact O-CB 3.43Å; R187-Q190 PolarHBondContact O-N 3.16Å; R187-Q190 VanDerWaalsContact O-N 3.12Å; R187-D191 VanDerWaalsContact O-CG 3.29Å; R187-D191 PolarHBondContact O-N 2.68Å |
| 188 | T | 94.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | K184 L185 L192 | K184-T188 WeakPolarHBondContact O-CG2 3.33Å; K184-T188 PolarHBondContact O-N 2.89Å; K184-T188 PolarHBondContact O-OG1 3.14Å; L185-T188 VanDerWaalsContact CA-OG1 3.31Å; L185-T188 WeakPolarHBondContact CA-OG1 3.41Å; L185-T188 PolarHBondContact O-N 3.03Å; L185-T188 PolarHBondContact O-OG1 3.16Å; T188-L192 VanDerWaalsContact O-CB 3.3Å; T188-L192 WeakPolarHBondContact O-CB 3.26Å; T188-L192 WeakPolarHBondContact O-CG 3.11Å; T188-L192 PolarHBondContact O-N 2.82Å |
| 189 | L | 92.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 105.7 Ų | 105.7 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 174.1 | -88.2 | 168.6 | 0 | 0 | 0 | 111.1 | L185 E186 R187 L192 Q193 | L185-L189 WeakPolarHBondContact O-CB 3.19Å; L185-L189 PolarHBondContact O-N 3.03Å; E186-L189 PolarHBondContact O-N 2.85Å; R187-L189 VanDerWaalsContact C-N 3.27Å; R187-L189 PolarHBondContact O-N 3.25Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-Q193 WeakPolarHBondContact O-CB 3.2Å; L189-Q193 VanDerWaalsContact O-CG 3.3Å; L189-Q193 WeakPolarHBondContact O-CG 3.45Å; L189-Q193 PolarHBondContact O-N 3.22Å |
| 190 | Q | 92.3 | Very high | 89.4 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 177.2 | -166 | 172.9 | 12.3 | 0 | 0 | 111.5 | E186 R187 Q193 I194 | E186-Q190 WeakPolarHBondContact O-CB 3.21Å; E186-Q190 PolarHBondContact O-N 2.52Å; R187-Q190 WeakPolarHBondContact O-CB 3.43Å; R187-Q190 PolarHBondContact O-N 3.16Å; R187-Q190 VanDerWaalsContact O-N 3.12Å; Q190-Q193 WeakPolarHBondContact O-CB 3.18Å; Q190-Q193 PolarHBondContact O-N 3.27Å; Q190-I194 HydrophobicContact CG-CD1 4.33Å; Q190-I194 VanDerWaalsContact O-CG1 3.3Å; Q190-I194 WeakPolarHBondContact O-CG1 3.42Å; Q190-I194 PolarHBondContact O-N 3.48Å |
| 191 | D | 91.4 | Very high | 88.5 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.3 | -66.8 | -22.5 | 0 | 0 | 0 | 111 | R187 Q193 I194 D195 | R187-D191 VanDerWaalsContact O-CG 3.29Å; R187-D191 PolarHBondContact O-N 2.68Å; D191-Q193 VanDerWaalsContact C-N 3.32Å; D191-Q193 PolarHBondContact O-N 2.98Å; D191-I194 PolarHBondContact O-N 3.01Å; D191-D195 WeakPolarHBondContact O-CB 3.48Å; D191-D195 PolarHBondContact O-N 3.13Å |
| 192 | L | 90.9 | Very high | 87.3 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -35.8 | 175.3 | -75.8 | 172.1 | 0 | 0 | 0 | 112.7 | T188 L189 Q196 | T188-L192 VanDerWaalsContact O-CB 3.3Å; T188-L192 WeakPolarHBondContact O-CB 3.26Å; T188-L192 WeakPolarHBondContact O-CG 3.11Å; T188-L192 PolarHBondContact O-N 2.82Å; L189-L192 PolarHBondContact O-N 2.94Å; L192-Q196 WeakPolarHBondContact O-CB 2.88Å; L192-Q196 PolarHBondContact O-N 3.44Å |
| 193 | Q | 90 | Very high | 86.2 | Confident | 115 Ų | 115 | 105 Ų | 105 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 173.8 | -82.2 | 177.6 | -20.1 | 0 | 0 | 111.3 | L189 Q190 D191 Q196 E197 | L189-Q193 WeakPolarHBondContact O-CB 3.2Å; L189-Q193 VanDerWaalsContact O-CG 3.3Å; L189-Q193 WeakPolarHBondContact O-CG 3.45Å; L189-Q193 PolarHBondContact O-N 3.22Å; Q190-Q193 WeakPolarHBondContact O-CB 3.18Å; Q190-Q193 PolarHBondContact O-N 3.27Å; D191-Q193 VanDerWaalsContact C-N 3.32Å; D191-Q193 PolarHBondContact O-N 2.98Å; Q193-Q196 PolarHBondContact O-N 3.41Å; Q193-E197 WeakPolarHBondContact O-CB 3.23Å; Q193-E197 WeakPolarHBondContact O-CG 2.81Å; Q193-E197 PolarHBondContact O-N 2.92Å |
| 194 | I | 88.7 | Confident | 85.2 | Confident | 76 Ų | 76 | 108.7 Ų | 108.7 | 39% | 0.39 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 176 | -68.5 | 164.5 | 0 | 0 | 0 | 110.4 | Q190 D191 Q196 E197 N198 | Q190-I194 HydrophobicContact CG-CD1 4.33Å; Q190-I194 VanDerWaalsContact O-CG1 3.3Å; Q190-I194 WeakPolarHBondContact O-CG1 3.42Å; Q190-I194 PolarHBondContact O-N 3.48Å; D191-I194 PolarHBondContact O-N 3.01Å; I194-Q196 VanDerWaalsContact C-N 3.32Å; I194-Q196 PolarHBondContact O-N 2.93Å; I194-E197 PolarHBondContact O-N 3.5Å; I194-N198 WeakPolarHBondContact CG2-ND2 3.09Å; I194-N198 VanDerWaalsContact O-CB 3.29Å; I194-N198 WeakPolarHBondContact O-CB 3.23Å; I194-N198 PolarHBondContact O-N 3.24Å; I194-N198 PolarHBondContact O-ND2 2.84Å; I194-N198 VanDerWaalsContact O-ND2 3.12Å |
| 195 | D | 85.6 | Confident | 84.2 | Confident | 89 Ų | 89 | 104.8 Ų | 104.8 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 176.5 | -76.4 | -15.8 | 0 | 0 | 0 | 111.9 | D191 Q199 | D191-D195 WeakPolarHBondContact O-CB 3.48Å; D191-D195 PolarHBondContact O-N 3.13Å; D195-Q199 WeakPolarHBondContact O-CB 3.46Å; D195-Q199 WeakPolarHBondContact O-CG 3.33Å; D195-Q199 PolarHBondContact O-N 2.93Å |
| 196 | Q | 84.6 | Confident | 83.3 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.7 | -46.3 | 175.1 | -175.8 | 179.9 | 8 | 0 | 0 | 111.5 | L192 Q193 I194 Q199 Q200 | L192-Q196 WeakPolarHBondContact O-CB 2.88Å; L192-Q196 PolarHBondContact O-N 3.44Å; Q193-Q196 PolarHBondContact O-N 3.41Å; I194-Q196 VanDerWaalsContact C-N 3.32Å; I194-Q196 PolarHBondContact O-N 2.93Å; Q196-Q199 PolarHBondContact O-N 3.43Å; Q196-Q200 WeakPolarHBondContact O-CB 3.47Å; Q196-Q200 PolarHBondContact O-N 3.49Å |
| 197 | E | 80.1 | Confident | 82.4 | Confident | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -46.3 | 175.3 | -78.5 | -177.3 | 170.6 | 0 | 0 | 110.5 | Q193 I194 Q199 Q200 D201 | Q193-E197 WeakPolarHBondContact O-CB 3.23Å; Q193-E197 WeakPolarHBondContact O-CG 2.81Å; Q193-E197 PolarHBondContact O-N 2.92Å; I194-E197 PolarHBondContact O-N 3.5Å; E197-Q199 PolarHBondContact O-N 3.48Å; E197-Q200 PolarHBondContact O-N 2.84Å; E197-D201 WeakPolarHBondContact O-CB 3.13Å; E197-D201 VanDerWaalsContact O-CG 3.31Å; E197-D201 PolarHBondContact O-N 3.17Å |
| 198 | N | 80.3 | Confident | 81.7 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.9 | -72.5 | -30.7 | 0 | 0 | 0 | 112.6 | I194 F202 | I194-N198 WeakPolarHBondContact CG2-ND2 3.09Å; I194-N198 VanDerWaalsContact O-CB 3.29Å; I194-N198 WeakPolarHBondContact O-CB 3.23Å; I194-N198 PolarHBondContact O-N 3.24Å; I194-N198 PolarHBondContact O-ND2 2.84Å; I194-N198 VanDerWaalsContact O-ND2 3.12Å; N198-F202 VanDerWaalsContact O-CB 3.24Å; N198-F202 WeakPolarHBondContact O-CB 3.19Å; N198-F202 PolarHBondContact O-N 3.42Å |
| 199 | Q | 75.9 | Confident | 81.1 | Confident | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 174.8 | -80.3 | -177 | 3.7 | 0 | 0 | 111.4 | D195 Q196 E197 F202 I203 | D195-Q199 WeakPolarHBondContact O-CB 3.46Å; D195-Q199 WeakPolarHBondContact O-CG 3.33Å; D195-Q199 PolarHBondContact O-N 2.93Å; Q196-Q199 PolarHBondContact O-N 3.43Å; E197-Q199 PolarHBondContact O-N 3.48Å; Q199-F202 PolarHBondContact O-N 3.01Å; Q199-I203 VanDerWaalsContact O-CB 3.29Å; Q199-I203 WeakPolarHBondContact O-CB 3.2Å; Q199-I203 WeakPolarHBondContact O-CD1 3.39Å; Q199-I203 WeakPolarHBondContact O-CG1 3.33Å; Q199-I203 PolarHBondContact O-N 3.01Å |
| 200 | Q | 75 | Confident | 80.7 | Confident | 93 Ų | 93 | 101.3 Ų | 101.3 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.7 | -35.9 | -179.4 | -161.4 | 175 | 12.8 | 0 | 0 | 111.4 | Q196 E197 K204 | Q196-Q200 WeakPolarHBondContact O-CB 3.47Å; Q196-Q200 PolarHBondContact O-N 3.49Å; E197-Q200 PolarHBondContact O-N 2.84Å; Q200-K204 HydrophobicContact CG-CD 4.25Å; Q200-K204 WeakPolarHBondContact O-CB 3.39Å; Q200-K204 WeakPolarHBondContact O-CD 3.29Å; Q200-K204 WeakPolarHBondContact O-CG 3.21Å; Q200-K204 PolarHBondContact O-N 3.29Å |
| 201 | D | 74.7 | Confident | 80.3 | Confident | 96 Ų | 96 | 101 Ų | 101 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72 | -38.3 | 173.7 | -74.1 | -13.8 | 0 | 0 | 0 | 111.6 | E197 A205 | E197-D201 WeakPolarHBondContact O-CB 3.13Å; E197-D201 VanDerWaalsContact O-CG 3.31Å; E197-D201 PolarHBondContact O-N 3.17Å; D201-A205 WeakPolarHBondContact O-CB 3.28Å; D201-A205 PolarHBondContact O-N 3.18Å |
| 202 | F | 70.6 | Confident | 80 | Confident | 142 Ų | 142 | 102.5 Ų | 102.5 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.3 | -46 | 174.4 | -173.2 | -93.9 | 0 | 0 | 0 | 112.1 | N198 Q199 A205 H206 | N198-F202 VanDerWaalsContact O-CB 3.24Å; N198-F202 WeakPolarHBondContact O-CB 3.19Å; N198-F202 PolarHBondContact O-N 3.42Å; Q199-F202 PolarHBondContact O-N 3.01Å; F202-A205 PolarHBondContact O-N 3.27Å; F202-H206 VanDerWaalsContact O-CB 3.25Å; F202-H206 WeakPolarHBondContact O-CB 3.41Å; F202-H206 PolarHBondContact O-N 2.92Å |
| 203 | I | 71.9 | Confident | 79.8 | Confident | 87 Ų | 87 | 102.3 Ų | 102.3 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177.4 | -67.5 | 165.4 | 0 | 0 | 0 | 109.9 | Q199 D207 | Q199-I203 VanDerWaalsContact O-CB 3.29Å; Q199-I203 WeakPolarHBondContact O-CB 3.2Å; Q199-I203 WeakPolarHBondContact O-CD1 3.39Å; Q199-I203 WeakPolarHBondContact O-CG1 3.33Å; Q199-I203 PolarHBondContact O-N 3.01Å; I203-D207 VanDerWaalsContact CG2-OD2 3.22Å; I203-D207 WeakPolarHBondContact CG2-OD2 3.39Å; I203-D207 WeakPolarHBondContact O-CB 3.44Å; I203-D207 VanDerWaalsContact O-CG 3.26Å; I203-D207 PolarHBondContact O-N 2.92Å |
| 204 | K | 74.8 | Confident | 79.7 | Confident | 113 Ų | 113 | 100.3 Ų | 100.3 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.7 | -77.1 | 170.6 | -176.2 | 163.7 | 0 | 111.7 | Q200 L208 | Q200-K204 HydrophobicContact CG-CD 4.25Å; Q200-K204 WeakPolarHBondContact O-CB 3.39Å; Q200-K204 WeakPolarHBondContact O-CD 3.29Å; Q200-K204 WeakPolarHBondContact O-CG 3.21Å; Q200-K204 PolarHBondContact O-N 3.29Å; K204-L208 WeakPolarHBondContact O-CB 3.29Å; K204-L208 PolarHBondContact O-N 3.37Å |
| 205 | A | 73.5 | Confident | 79.6 | Confident | 54 Ų | 54 | 100.7 Ų | 100.7 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D201 F202 D209 | D201-A205 WeakPolarHBondContact O-CB 3.28Å; D201-A205 PolarHBondContact O-N 3.18Å; F202-A205 PolarHBondContact O-N 3.27Å; A205-D209 WeakPolarHBondContact O-CB 3.46Å; A205-D209 PolarHBondContact O-N 2.98Å |
| 206 | H | 74.1 | Confident | 79.8 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.1 | -45.4 | -178.6 | -167.3 | -63.9 | 0 | 0 | 0 | 112.6 | F202 L208 D209 D210 | F202-H206 VanDerWaalsContact O-CB 3.25Å; F202-H206 WeakPolarHBondContact O-CB 3.41Å; F202-H206 PolarHBondContact O-N 2.92Å; H206-L208 VanDerWaalsContact C-N 3.3Å; H206-L208 PolarHBondContact O-N 2.94Å; H206-D209 PolarHBondContact O-N 3.29Å; H206-D210 IonicContact CE1-OD1 3.76Å; H206-D210 IonicContact CE1-OD2 3.56Å; H206-D210 PolarHBondContact CE1-OD2 2.93Å; H206-D210 IonicContact ND1-OD2 2.82Å; H206-D210 PolarHBondContact ND1-OD2 2.66Å; H206-D210 WeakPolarHBondContact O-CB 3.08Å; H206-D210 PolarHBondContact O-N 2.86Å |
| 207 | D | 75.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 95.5 Ų | 95.5 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 178.8 | -70.6 | -13.4 | 0 | 0 | 0 | 111.2 | I203 L211 | I203-D207 VanDerWaalsContact CG2-OD2 3.22Å; I203-D207 WeakPolarHBondContact CG2-OD2 3.39Å; I203-D207 WeakPolarHBondContact O-CB 3.44Å; I203-D207 VanDerWaalsContact O-CG 3.26Å; I203-D207 PolarHBondContact O-N 2.92Å; D207-L211 WeakPolarHBondContact O-CB 3.33Å; D207-L211 PolarHBondContact O-N 3.24Å |
| 208 | L | 79.5 | Confident | 80.5 | Confident | 115 Ų | 115 | 95 Ų | 95 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.9 | -42.6 | 176.3 | -159.5 | 97.1 | 0 | 0 | 0 | 111.3 | K204 H206 L211 E212 | K204-L208 WeakPolarHBondContact O-CB 3.29Å; K204-L208 PolarHBondContact O-N 3.37Å; H206-L208 VanDerWaalsContact C-N 3.3Å; H206-L208 PolarHBondContact O-N 2.94Å; L208-L211 PolarHBondContact O-N 2.77Å; L208-E212 VanDerWaalsContact O-CB 3.23Å; L208-E212 WeakPolarHBondContact O-CB 3.14Å; L208-E212 PolarHBondContact O-N 3.3Å |
| 209 | D | 81.9 | Confident | 81 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175 | -84.5 | 2 | 0 | 0 | 0 | 111.3 | A205 H206 E212 N213 | A205-D209 WeakPolarHBondContact O-CB 3.46Å; A205-D209 PolarHBondContact O-N 2.98Å; H206-D209 PolarHBondContact O-N 3.29Å; D209-E212 PolarHBondContact O-N 3.17Å; D209-N213 VanDerWaalsContact O-CB 3.3Å; D209-N213 WeakPolarHBondContact O-CB 3.47Å; D209-N213 PolarHBondContact O-N 3.35Å; D209-N213 PolarHBondContact O-ND2 3.38Å |
| 210 | D | 82.6 | Confident | 81.6 | Confident | 77 Ų | 77 | 99 Ų | 99 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.9 | -78.7 | -16.8 | 0 | 0 | 0 | 111.8 | H206 N213 T214 | H206-D210 IonicContact CE1-OD1 3.76Å; H206-D210 IonicContact CE1-OD2 3.56Å; H206-D210 PolarHBondContact CE1-OD2 2.93Å; H206-D210 IonicContact ND1-OD2 2.82Å; H206-D210 PolarHBondContact ND1-OD2 2.66Å; H206-D210 WeakPolarHBondContact O-CB 3.08Å; H206-D210 PolarHBondContact O-N 2.86Å; D210-N213 PolarHBondContact O-N 3.49Å; D210-T214 WeakPolarHBondContact O-CB 3.11Å; D210-T214 VanDerWaalsContact O-CG2 3.29Å; D210-T214 WeakPolarHBondContact O-CG2 3.42Å; D210-T214 PolarHBondContact O-N 3.04Å; D210-T214 PolarHBondContact O-OG1 3.31Å |
| 211 | L | 84.3 | Confident | 82.4 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.7 | -39.8 | 176.4 | -170 | 64.5 | 0 | 0 | 0 | 111.2 | D207 L208 T214 V215 | D207-L211 WeakPolarHBondContact O-CB 3.33Å; D207-L211 PolarHBondContact O-N 3.24Å; L208-L211 PolarHBondContact O-N 2.77Å; L211-T214 WeakPolarHBondContact CA-OG1 3.34Å; L211-T214 PolarHBondContact O-N 3.02Å; L211-T214 PolarHBondContact O-OG1 3.38Å; L211-V215 HydrophobicContact CG-CG2 4.45Å; L211-V215 VanDerWaalsContact O-CB 3.3Å; L211-V215 WeakPolarHBondContact O-CB 3.42Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.08Å |
| 212 | E | 84.8 | Confident | 83 | Confident | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 175.4 | -174.2 | 166.1 | -169.3 | 0 | 0 | 111 | L208 D209 V215 A216 | L208-E212 VanDerWaalsContact O-CB 3.23Å; L208-E212 WeakPolarHBondContact O-CB 3.14Å; L208-E212 PolarHBondContact O-N 3.3Å; D209-E212 PolarHBondContact O-N 3.17Å; E212-V215 PolarHBondContact O-N 2.94Å; E212-A216 VanDerWaalsContact O-CB 3.29Å; E212-A216 WeakPolarHBondContact O-CB 3.39Å; E212-A216 PolarHBondContact O-N 2.75Å |
| 213 | N | 88.2 | Confident | 84 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 175.6 | -74 | -37.8 | 0 | 0 | 0 | 112.4 | D209 D210 A216 A217 | D209-N213 VanDerWaalsContact O-CB 3.3Å; D209-N213 WeakPolarHBondContact O-CB 3.47Å; D209-N213 PolarHBondContact O-N 3.35Å; D209-N213 PolarHBondContact O-ND2 3.38Å; D210-N213 PolarHBondContact O-N 3.49Å; N213-A216 PolarHBondContact O-N 2.94Å; N213-A217 WeakPolarHBondContact O-CB 3.32Å; N213-A217 PolarHBondContact O-N 3.14Å |
| 214 | T | 87.9 | Confident | 84.9 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 112 | D210 L211 A217 L218 | D210-T214 WeakPolarHBondContact O-CB 3.11Å; D210-T214 VanDerWaalsContact O-CG2 3.29Å; D210-T214 WeakPolarHBondContact O-CG2 3.42Å; D210-T214 PolarHBondContact O-N 3.04Å; D210-T214 PolarHBondContact O-OG1 3.31Å; L211-T214 WeakPolarHBondContact CA-OG1 3.34Å; L211-T214 PolarHBondContact O-N 3.02Å; L211-T214 PolarHBondContact O-OG1 3.38Å; T214-A217 PolarHBondContact O-N 3.49Å; T214-L218 WeakPolarHBondContact O-CB 3.29Å; T214-L218 PolarHBondContact O-N 3.18Å |
| 215 | V | 86.3 | Confident | 85.5 | Confident | 84 Ų | 84 | 101 Ų | 101 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 111 | L211 E212 L218 R219 | L211-V215 HydrophobicContact CG-CG2 4.45Å; L211-V215 VanDerWaalsContact O-CB 3.3Å; L211-V215 WeakPolarHBondContact O-CB 3.42Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.08Å; E212-V215 PolarHBondContact O-N 2.94Å; V215-L218 PolarHBondContact O-N 2.96Å; V215-R219 VanDerWaalsContact O-CB 3.3Å; V215-R219 WeakPolarHBondContact O-CB 3.2Å; V215-R219 PolarHBondContact O-N 3.4Å |
| 216 | A | 89.6 | Confident | 86.3 | Confident | 44 Ų | 44 | 102 Ų | 102 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E212 N213 L218 R219 D220 | E212-A216 VanDerWaalsContact O-CB 3.29Å; E212-A216 WeakPolarHBondContact O-CB 3.39Å; E212-A216 PolarHBondContact O-N 2.75Å; N213-A216 PolarHBondContact O-N 2.94Å; A216-L218 PolarHBondContact O-N 3.35Å; A216-R219 WeakPolarHBondContact O-CB 3.49Å; A216-R219 PolarHBondContact O-N 2.82Å; A216-D220 PolarHBondContact O-N 3.41Å |
| 217 | A | 89.8 | Confident | 87 | Confident | 59 Ų | 59 | 101.6 Ų | 101.6 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N213 T214 R219 D220 E221 | N213-A217 WeakPolarHBondContact O-CB 3.32Å; N213-A217 PolarHBondContact O-N 3.14Å; T214-A217 PolarHBondContact O-N 3.49Å; A217-R219 VanDerWaalsContact C-N 3.31Å; A217-R219 PolarHBondContact O-N 3.03Å; A217-D220 PolarHBondContact O-N 3.13Å; A217-E221 WeakPolarHBondContact O-CB 3.34Å; A217-E221 PolarHBondContact O-N 2.96Å |
| 218 | L | 89.6 | Confident | 87.5 | Confident | 114 Ų | 114 | 100.5 Ų | 100.5 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 174.7 | -103.5 | 146.1 | 0 | 0 | 0 | 111.9 | T214 V215 A216 F222 | T214-L218 WeakPolarHBondContact O-CB 3.29Å; T214-L218 PolarHBondContact O-N 3.18Å; V215-L218 PolarHBondContact O-N 2.96Å; A216-L218 PolarHBondContact O-N 3.35Å; L218-F222 VanDerWaalsContact O-CB 3.24Å; L218-F222 WeakPolarHBondContact O-CB 3.27Å; L218-F222 PolarHBondContact O-N 2.87Å |
| 219 | R | 90.6 | Very high | 87.9 | Confident | 192 Ų | 192 | 101.2 Ų | 101.2 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 177.7 | -176.2 | 179.7 | 177.5 | 166 | -0.8 | 111.4 | V215 A216 A217 F222 Q223 | V215-R219 VanDerWaalsContact O-CB 3.3Å; V215-R219 WeakPolarHBondContact O-CB 3.2Å; V215-R219 PolarHBondContact O-N 3.4Å; A216-R219 WeakPolarHBondContact O-CB 3.49Å; A216-R219 PolarHBondContact O-N 2.82Å; A217-R219 VanDerWaalsContact C-N 3.31Å; A217-R219 PolarHBondContact O-N 3.03Å; R219-F222 PolarHBondContact O-N 3.44Å; R219-Q223 WeakPolarHBondContact O-CB 3.04Å; R219-Q223 PolarHBondContact O-N 2.96Å |
| 220 | D | 89.3 | Confident | 88.2 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 177.3 | -74.8 | -12.7 | 0 | 0 | 0 | 111.7 | A216 A217 Q223 K224 | A216-D220 PolarHBondContact O-N 3.41Å; A217-D220 PolarHBondContact O-N 3.13Å; D220-Q223 PolarHBondContact O-N 3.39Å; D220-K224 WeakPolarHBondContact O-CB 3.44Å; D220-K224 PolarHBondContact O-N 3.41Å |
| 221 | E | 90.2 | Very high | 88.4 | Confident | 131 Ų | 131 | 102.3 Ų | 102.3 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 176 | -170.5 | 173.5 | -162.7 | 0 | 0 | 111.7 | A217 K224 T225 | A217-E221 WeakPolarHBondContact O-CB 3.34Å; A217-E221 PolarHBondContact O-N 2.96Å; E221-K224 PolarHBondContact O-N 3.22Å; E221-T225 WeakPolarHBondContact O-CB 3.49Å; E221-T225 PolarHBondContact O-N 3.49Å; E221-T225 PolarHBondContact O-OG1 3.27Å |
| 222 | F | 88 | Confident | 88.6 | Confident | 143 Ų | 143 | 101.9 Ų | 101.9 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 175.3 | -168.2 | -98.2 | 0 | 0 | 0 | 111.3 | L218 R219 K224 T225 L226 | L218-F222 VanDerWaalsContact O-CB 3.24Å; L218-F222 WeakPolarHBondContact O-CB 3.27Å; L218-F222 PolarHBondContact O-N 2.87Å; R219-F222 PolarHBondContact O-N 3.44Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 3.17Å; F222-T225 PolarHBondContact O-N 3.05Å; F222-L226 HydrophobicContact CE1-CD1 4.43Å; F222-L226 WeakPolarHBondContact O-CB 3.43Å; F222-L226 PolarHBondContact O-N 3.18Å |
| 223 | Q | 91.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.6 | -173.2 | 63.3 | 53.5 | 0 | 0 | 111.7 | R219 D220 L226 N227 | R219-Q223 WeakPolarHBondContact O-CB 3.04Å; R219-Q223 PolarHBondContact O-N 2.96Å; D220-Q223 PolarHBondContact O-N 3.39Å; Q223-L226 PolarHBondContact O-N 2.85Å; Q223-N227 PolarHBondContact NE2-OD1 3.35Å; Q223-N227 WeakPolarHBondContact O-CB 3.46Å; Q223-N227 VanDerWaalsContact O-CG 3.24Å; Q223-N227 PolarHBondContact O-N 2.85Å |
| 224 | K | 90.7 | Very high | 88.7 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 59% | 0.587 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -47.9 | 175.4 | -172.5 | -179.8 | 177.1 | -174.5 | 0 | 111.3 | D220 E221 F222 L226 N227 D228 | D220-K224 WeakPolarHBondContact O-CB 3.44Å; D220-K224 PolarHBondContact O-N 3.41Å; E221-K224 PolarHBondContact O-N 3.22Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 3.17Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.22Å; K224-N227 PolarHBondContact O-N 2.69Å; K224-D228 WeakPolarHBondContact O-CB 3.19Å; K224-D228 VanDerWaalsContact O-CG 3.26Å; K224-D228 PolarHBondContact O-N 2.63Å |
| 225 | T | 88.4 | Confident | 88.7 | Confident | 70 Ų | 70 | 101.1 Ų | 101.1 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 178.2 | -54 | 0 | 0 | 0 | 0 | 111.7 | E221 F222 D228 Q229 | E221-T225 WeakPolarHBondContact O-CB 3.49Å; E221-T225 PolarHBondContact O-N 3.49Å; E221-T225 PolarHBondContact O-OG1 3.27Å; F222-T225 PolarHBondContact O-N 3.05Å; T225-D228 PolarHBondContact O-N 2.83Å; T225-Q229 WeakPolarHBondContact O-CB 3.32Å; T225-Q229 PolarHBondContact O-N 3.4Å |
| 226 | L | 89.1 | Confident | 88.7 | Confident | 75 Ų | 75 | 102.8 Ų | 102.8 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.1 | -162.3 | 91.7 | 0 | 0 | 0 | 111.4 | F222 Q223 K224 Q229 T230 | F222-L226 HydrophobicContact CE1-CD1 4.43Å; F222-L226 WeakPolarHBondContact O-CB 3.43Å; F222-L226 PolarHBondContact O-N 3.18Å; Q223-L226 PolarHBondContact O-N 2.85Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.22Å; L226-Q229 PolarHBondContact O-N 3.39Å; L226-T230 WeakPolarHBondContact O-CB 3.29Å; L226-T230 PolarHBondContact O-N 3.41Å; L226-T230 PolarHBondContact O-OG1 3.2Å |
| 227 | N | 88.8 | Confident | 88.5 | Confident | 81 Ų | 81 | 105.9 Ų | 105.9 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 176.5 | -72.9 | -8.2 | 0 | 0 | 0 | 111 | Q223 K224 Q229 T230 E231 | Q223-N227 PolarHBondContact NE2-OD1 3.35Å; Q223-N227 WeakPolarHBondContact O-CB 3.46Å; Q223-N227 VanDerWaalsContact O-CG 3.24Å; Q223-N227 PolarHBondContact O-N 2.85Å; K224-N227 PolarHBondContact O-N 2.69Å; N227-Q229 PolarHBondContact O-N 3.23Å; N227-T230 WeakPolarHBondContact O-CB 3.44Å; N227-T230 PolarHBondContact O-N 2.93Å; N227-T230 VanDerWaalsContact O-N 3.1Å; N227-E231 PolarHBondContact O-N 2.97Å |
| 228 | D | 87.9 | Confident | 88.5 | Confident | 73 Ų | 73 | 109.7 Ų | 109.7 | 39% | 0.39 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.7 | -69.3 | -12.1 | 0 | 0 | 0 | 111.3 | K224 T225 N232 | K224-D228 WeakPolarHBondContact O-CB 3.19Å; K224-D228 VanDerWaalsContact O-CG 3.26Å; K224-D228 PolarHBondContact O-N 2.63Å; T225-D228 PolarHBondContact O-N 2.83Å; D228-N232 VanDerWaalsContact O-CB 3.24Å; D228-N232 WeakPolarHBondContact O-CB 3.48Å; D228-N232 VanDerWaalsContact O-CG 3.23Å; D228-N232 PolarHBondContact O-N 3.41Å; D228-N232 PolarHBondContact O-ND2 3.37Å |
| 229 | Q | 87.3 | Confident | 88.4 | Confident | 131 Ų | 131 | 109.1 Ų | 109.1 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 172.3 | -87.8 | -170.9 | -27.5 | 0 | 0 | 111.9 | T225 L226 N227 N232 Q233 | T225-Q229 WeakPolarHBondContact O-CB 3.32Å; T225-Q229 PolarHBondContact O-N 3.4Å; L226-Q229 PolarHBondContact O-N 3.39Å; N227-Q229 PolarHBondContact O-N 3.23Å; Q229-N232 PolarHBondContact O-N 3.01Å; Q229-Q233 VanDerWaalsContact O-CB 3.29Å; Q229-Q233 WeakPolarHBondContact O-CB 3.27Å; Q229-Q233 PolarHBondContact O-N 3.37Å |
| 230 | T | 88.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 104.5 Ų | 104.5 | 36% | 0.362 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | -180 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | L226 N227 Q233 K234 | L226-T230 WeakPolarHBondContact O-CB 3.29Å; L226-T230 PolarHBondContact O-N 3.41Å; L226-T230 PolarHBondContact O-OG1 3.2Å; N227-T230 WeakPolarHBondContact O-CB 3.44Å; N227-T230 PolarHBondContact O-N 2.93Å; N227-T230 VanDerWaalsContact O-N 3.1Å; T230-Q233 PolarHBondContact O-N 2.85Å; T230-K234 WeakPolarHBondContact O-CG 3.39Å; T230-K234 PolarHBondContact O-N 2.94Å |
| 231 | E | 87.2 | Confident | 88.2 | Confident | 135 Ų | 135 | 101.1 Ų | 101.1 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 174.7 | -75.9 | -165.7 | 162.4 | 0 | 0 | 111.7 | N227 Q233 K234 S235 | N227-E231 PolarHBondContact O-N 2.97Å; E231-Q233 VanDerWaalsContact C-N 3.34Å; E231-Q233 PolarHBondContact O-N 3.36Å; E231-K234 PolarHBondContact O-N 3.29Å; E231-S235 WeakPolarHBondContact O-CB 3.43Å; E231-S235 PolarHBondContact O-N 3.26Å |
| 232 | N | 86.5 | Confident | 88.1 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.4 | -78.4 | -35.9 | 0 | 0 | 0 | 112 | D228 Q229 S235 L236 | D228-N232 VanDerWaalsContact O-CB 3.24Å; D228-N232 WeakPolarHBondContact O-CB 3.48Å; D228-N232 VanDerWaalsContact O-CG 3.23Å; D228-N232 PolarHBondContact O-N 3.41Å; D228-N232 PolarHBondContact O-ND2 3.37Å; Q229-N232 PolarHBondContact O-N 3.01Å; N232-S235 WeakPolarHBondContact O-CB 3.49Å; N232-S235 PolarHBondContact O-N 2.87Å; N232-L236 WeakPolarHBondContact O-CB 3.41Å; N232-L236 WeakPolarHBondContact O-CD1 3.44Å; N232-L236 WeakPolarHBondContact O-CG 3.42Å; N232-L236 PolarHBondContact O-N 3.25Å |
| 233 | Q | 87.7 | Confident | 88 | Confident | 113 Ų | 113 | 93.1 Ų | 93.1 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 175.4 | -177.9 | 177.7 | -14 | 0 | 0 | 111.1 | Q229 T230 E231 S235 L236 E237 | Q229-Q233 VanDerWaalsContact O-CB 3.29Å; Q229-Q233 WeakPolarHBondContact O-CB 3.27Å; Q229-Q233 PolarHBondContact O-N 3.37Å; T230-Q233 PolarHBondContact O-N 2.85Å; E231-Q233 VanDerWaalsContact C-N 3.34Å; E231-Q233 PolarHBondContact O-N 3.36Å; Q233-S235 VanDerWaalsContact C-N 3.33Å; Q233-S235 PolarHBondContact O-N 3Å; Q233-L236 PolarHBondContact O-N 3.28Å; Q233-E237 PolarHBondContact NE2-OE1 3.1Å; Q233-E237 WeakPolarHBondContact O-CB 3.2Å; Q233-E237 WeakPolarHBondContact O-CG 3.41Å; Q233-E237 PolarHBondContact O-N 3.44Å |
| 234 | K | 88.3 | Confident | 87.8 | Confident | 127 Ų | 127 | 94.9 Ų | 94.9 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60 | -43 | 175.7 | -76 | 175.6 | -179.8 | 175 | 0 | 112.1 | T230 E231 E237 Q238 | T230-K234 WeakPolarHBondContact O-CG 3.39Å; T230-K234 PolarHBondContact O-N 2.94Å; E231-K234 PolarHBondContact O-N 3.29Å; K234-E237 PolarHBondContact O-N 2.86Å; K234-Q238 WeakPolarHBondContact O-CB 3.43Å; K234-Q238 WeakPolarHBondContact O-CG 3.39Å; K234-Q238 PolarHBondContact O-N 3.38Å |
| 235 | S | 87 | Confident | 87.7 | Confident | 47 Ų | 47 | 94.9 Ų | 94.9 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -47.8 | 174.7 | 150.8 | 0 | 0 | 0 | 0 | 111.7 | E231 N232 Q233 Q238 N239 | E231-S235 WeakPolarHBondContact O-CB 3.43Å; E231-S235 PolarHBondContact O-N 3.26Å; N232-S235 WeakPolarHBondContact O-CB 3.49Å; N232-S235 PolarHBondContact O-N 2.87Å; Q233-S235 VanDerWaalsContact C-N 3.33Å; Q233-S235 PolarHBondContact O-N 3Å; S235-Q238 PolarHBondContact O-N 2.92Å; S235-N239 WeakPolarHBondContact O-CB 3.4Å; S235-N239 VanDerWaalsContact O-CG 3.28Å; S235-N239 PolarHBondContact O-N 3.24Å; S235-N239 PolarHBondContact O-ND2 3.16Å; S235-N239 VanDerWaalsContact O-ND2 3.14Å |
| 236 | L | 86.4 | Confident | 87.6 | Confident | 119 Ų | 119 | 95.2 Ų | 95.2 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 176.8 | -83.2 | 155.8 | 0 | 0 | 0 | 111.9 | N232 Q233 N239 L240 | N232-L236 WeakPolarHBondContact O-CB 3.41Å; N232-L236 WeakPolarHBondContact O-CD1 3.44Å; N232-L236 WeakPolarHBondContact O-CG 3.42Å; N232-L236 PolarHBondContact O-N 3.25Å; Q233-L236 PolarHBondContact O-N 3.28Å; L236-N239 PolarHBondContact O-N 3.04Å; L236-L240 VanDerWaalsContact O-CB 3.24Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 PolarHBondContact O-N 2.84Å |
| 237 | E | 86.8 | Confident | 87.4 | Confident | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.2 | -75.4 | 174.4 | -170.6 | 0 | 0 | 111.8 | Q233 K234 L240 A241 | Q233-E237 PolarHBondContact NE2-OE1 3.1Å; Q233-E237 WeakPolarHBondContact O-CB 3.2Å; Q233-E237 WeakPolarHBondContact O-CG 3.41Å; Q233-E237 PolarHBondContact O-N 3.44Å; K234-E237 PolarHBondContact O-N 2.86Å; E237-L240 PolarHBondContact O-N 3.05Å; E237-A241 WeakPolarHBondContact O-CB 3.46Å; E237-A241 PolarHBondContact O-N 3.44Å |
| 238 | Q | 88.3 | Confident | 87.3 | Confident | 139 Ų | 139 | 98.1 Ų | 98.1 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 175.3 | -76.2 | 178.1 | -9.2 | 0 | 0 | 112.3 | K234 S235 L240 A241 A242 | K234-Q238 WeakPolarHBondContact O-CB 3.43Å; K234-Q238 WeakPolarHBondContact O-CG 3.39Å; K234-Q238 PolarHBondContact O-N 3.38Å; S235-Q238 PolarHBondContact O-N 2.92Å; Q238-L240 VanDerWaalsContact C-N 3.33Å; Q238-L240 PolarHBondContact O-N 3.32Å; Q238-A241 PolarHBondContact O-N 3.48Å; Q238-A242 WeakPolarHBondContact O-CB 3.33Å; Q238-A242 PolarHBondContact O-N 3Å |
| 239 | N | 87.5 | Confident | 87.3 | Confident | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 177.4 | -74.4 | -34.4 | 0 | 0 | 0 | 111.8 | S235 L236 A242 A243 | S235-N239 WeakPolarHBondContact O-CB 3.4Å; S235-N239 VanDerWaalsContact O-CG 3.28Å; S235-N239 PolarHBondContact O-N 3.24Å; S235-N239 PolarHBondContact O-ND2 3.16Å; S235-N239 VanDerWaalsContact O-ND2 3.14Å; L236-N239 PolarHBondContact O-N 3.04Å; N239-A242 PolarHBondContact O-N 3Å; N239-A243 WeakPolarHBondContact O-CB 3.48Å; N239-A243 PolarHBondContact O-N 3.08Å |
| 240 | L | 88.5 | Confident | 87.2 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.5 | -167.3 | 162.1 | 0 | 0 | 0 | 110.9 | L236 E237 Q238 A243 K244 | L236-L240 VanDerWaalsContact O-CB 3.24Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 PolarHBondContact O-N 2.84Å; E237-L240 PolarHBondContact O-N 3.05Å; Q238-L240 VanDerWaalsContact C-N 3.33Å; Q238-L240 PolarHBondContact O-N 3.32Å; L240-A243 PolarHBondContact O-N 2.89Å; L240-K244 HydrophobicContact CD2-CD 3.68Å; L240-K244 HydrophobicContact CD2-CG 4.13Å; L240-K244 WeakPolarHBondContact O-CB 3.35Å; L240-K244 WeakPolarHBondContact O-CG 3.3Å; L240-K244 PolarHBondContact O-N 2.95Å |
| 241 | A | 88.4 | Confident | 86.9 | Confident | 43 Ų | 43 | 101.6 Ų | 101.6 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | E237 Q238 K244 H245 | E237-A241 WeakPolarHBondContact O-CB 3.46Å; E237-A241 PolarHBondContact O-N 3.44Å; Q238-A241 PolarHBondContact O-N 3.48Å; A241-K244 WeakPolarHBondContact O-CB 3.43Å; A241-K244 PolarHBondContact O-N 3.01Å; A241-H245 PolarHBondContact O-CD2 3.34Å; A241-H245 PolarHBondContact O-N 2.82Å |
| 242 | A | 88.1 | Confident | 86.8 | Confident | 49 Ų | 49 | 101.4 Ų | 101.4 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q238 N239 K244 H245 D246 | Q238-A242 WeakPolarHBondContact O-CB 3.33Å; Q238-A242 PolarHBondContact O-N 3Å; N239-A242 PolarHBondContact O-N 3Å; A242-K244 VanDerWaalsContact C-N 3.31Å; A242-K244 PolarHBondContact O-N 3.36Å; A242-H245 WeakPolarHBondContact O-CB 3.45Å; A242-H245 PolarHBondContact O-N 2.79Å; A242-H245 VanDerWaalsContact O-N 3.11Å; A242-D246 PolarHBondContact O-N 2.94Å |
| 243 | A | 86 | Confident | 86.7 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N239 L240 D246 L247 | N239-A243 WeakPolarHBondContact O-CB 3.48Å; N239-A243 PolarHBondContact O-N 3.08Å; L240-A243 PolarHBondContact O-N 2.89Å; A243-D246 PolarHBondContact O-N 3.41Å; A243-L247 WeakPolarHBondContact O-CB 3.39Å; A243-L247 PolarHBondContact O-N 3.41Å |
| 244 | K | 86.5 | Confident | 86.5 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 172.6 | -82.5 | 178.1 | 173.9 | 169.8 | 0 | 111.9 | L240 A241 A242 L247 L248 | L240-K244 HydrophobicContact CD2-CD 3.68Å; L240-K244 HydrophobicContact CD2-CG 4.13Å; L240-K244 WeakPolarHBondContact O-CB 3.35Å; L240-K244 WeakPolarHBondContact O-CG 3.3Å; L240-K244 PolarHBondContact O-N 2.95Å; A241-K244 WeakPolarHBondContact O-CB 3.43Å; A241-K244 PolarHBondContact O-N 3.01Å; A242-K244 VanDerWaalsContact C-N 3.31Å; A242-K244 PolarHBondContact O-N 3.36Å; K244-L247 PolarHBondContact O-N 2.94Å; K244-L248 WeakPolarHBondContact O-CG 3.42Å; K244-L248 PolarHBondContact O-N 3.46Å |
| 245 | H | 87.8 | Confident | 86.3 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 177 | -76.4 | -64.8 | 0 | 0 | 0 | 112.2 | A241 A242 L248 R249 | A241-H245 PolarHBondContact O-CD2 3.34Å; A241-H245 PolarHBondContact O-N 2.82Å; A242-H245 WeakPolarHBondContact O-CB 3.45Å; A242-H245 PolarHBondContact O-N 2.79Å; A242-H245 VanDerWaalsContact O-N 3.11Å; H245-L248 PolarHBondContact O-N 3.22Å; H245-R249 WeakPolarHBondContact O-CB 3.43Å; H245-R249 PolarHBondContact O-N 3.38Å |
| 246 | D | 86.4 | Confident | 86.1 | Confident | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.2 | -85.4 | -36.5 | 0 | 0 | 0 | 112.5 | A242 A243 R249 V250 | A242-D246 PolarHBondContact O-N 2.94Å; A243-D246 PolarHBondContact O-N 3.41Å; D246-R249 WeakPolarHBondContact O-CB 3.27Å; D246-R249 PolarHBondContact O-N 3.24Å; D246-R249 IonicContact OD1-CZ 3.5Å; D246-R249 IonicContact OD1-NE 3.52Å; D246-R249 IonicContact OD1-NH2 2.8Å; D246-R249 PolarHBondContact OD1-NH2 3.28Å; D246-V250 WeakPolarHBondContact O-CG2 3.44Å; D246-V250 PolarHBondContact O-N 3.45Å |
| 247 | L | 85.8 | Confident | 85.8 | Confident | 113 Ų | 113 | 96.8 Ų | 96.8 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -46 | 177.1 | -165.7 | 159.3 | 0 | 0 | 0 | 111 | A243 K244 R249 V250 Q251 | A243-L247 WeakPolarHBondContact O-CB 3.39Å; A243-L247 PolarHBondContact O-N 3.41Å; K244-L247 PolarHBondContact O-N 2.94Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.33Å; L247-V250 PolarHBondContact O-N 2.89Å; L247-Q251 WeakPolarHBondContact O-CB 3.36Å; L247-Q251 PolarHBondContact O-N 3.2Å |
| 248 | L | 86.5 | Confident | 85.5 | Confident | 103 Ų | 103 | 97.4 Ų | 97.4 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 175.1 | -74.8 | 170.5 | 0 | 0 | 0 | 111.8 | K244 H245 Q251 E252 | K244-L248 WeakPolarHBondContact O-CG 3.42Å; K244-L248 PolarHBondContact O-N 3.46Å; H245-L248 PolarHBondContact O-N 3.22Å; L248-Q251 PolarHBondContact O-N 3.01Å; L248-E252 PolarHBondContact O-N 2.87Å |
| 249 | R | 87.3 | Confident | 85.2 | Confident | 138 Ų | 138 | 97.5 Ų | 97.5 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.6 | -176.5 | 175.7 | 64 | 145.9 | -3.6 | 112.1 | H245 D246 L247 Q251 E252 Q253 | H245-R249 WeakPolarHBondContact O-CB 3.43Å; H245-R249 PolarHBondContact O-N 3.38Å; D246-R249 WeakPolarHBondContact O-CB 3.27Å; D246-R249 PolarHBondContact O-N 3.24Å; D246-R249 IonicContact OD1-CZ 3.5Å; D246-R249 IonicContact OD1-NE 3.52Å; D246-R249 IonicContact OD1-NH2 2.8Å; D246-R249 PolarHBondContact OD1-NH2 3.28Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.33Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-E252 PolarHBondContact O-N 3.5Å; R249-Q253 WeakPolarHBondContact O-CG 3.4Å; R249-Q253 PolarHBondContact O-N 3.02Å |
| 250 | V | 85.7 | Confident | 84.8 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | D246 L247 E252 Q253 L254 | D246-V250 WeakPolarHBondContact O-CG2 3.44Å; D246-V250 PolarHBondContact O-N 3.45Å; L247-V250 PolarHBondContact O-N 2.89Å; V250-E252 VanDerWaalsContact C-N 3.33Å; V250-E252 PolarHBondContact O-N 3.21Å; V250-Q253 PolarHBondContact O-N 2.97Å; V250-L254 VanDerWaalsContact O-CB 3.25Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 PolarHBondContact O-N 3.12Å |
| 251 | Q | 83.3 | Confident | 84.3 | Confident | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | 177.2 | -168.6 | 174.6 | -4.4 | 0 | 0 | 111.9 | L247 L248 R249 L254 S255 | L247-Q251 WeakPolarHBondContact O-CB 3.36Å; L247-Q251 PolarHBondContact O-N 3.2Å; L248-Q251 PolarHBondContact O-N 3.01Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; Q251-L254 PolarHBondContact O-N 2.98Å; Q251-S255 WeakPolarHBondContact O-CB 3.5Å; Q251-S255 PolarHBondContact O-N 3.02Å |
| 252 | E | 85.2 | Confident | 83.8 | Confident | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -44.8 | 173.5 | -172.5 | 174.8 | -156.3 | 0 | 0 | 112.1 | L248 R249 V250 L254 S255 L256 | L248-E252 PolarHBondContact O-N 2.87Å; R249-E252 PolarHBondContact O-N 3.5Å; V250-E252 VanDerWaalsContact C-N 3.33Å; V250-E252 PolarHBondContact O-N 3.21Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 2.92Å; E252-S255 WeakPolarHBondContact O-CB 3.41Å; E252-S255 PolarHBondContact O-N 3.24Å; E252-L256 HydrophobicContact CG-CD1 4.48Å; E252-L256 WeakPolarHBondContact O-CG 3.43Å; E252-L256 PolarHBondContact O-N 3.32Å |
| 253 | Q | 83.8 | Confident | 83.3 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 174.9 | -74.4 | 179.7 | -14.9 | 0 | 0 | 112.2 | R249 V250 L256 A257 | R249-Q253 WeakPolarHBondContact O-CG 3.4Å; R249-Q253 PolarHBondContact O-N 3.02Å; V250-Q253 PolarHBondContact O-N 2.97Å; Q253-L256 PolarHBondContact O-N 3.34Å; Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.26Å |
| 254 | L | 82.3 | Confident | 82.9 | Confident | 94 Ų | 94 | 111.1 Ų | 111.1 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 178.8 | -159.3 | 141 | 0 | 0 | 0 | 110.9 | V250 Q251 E252 L256 A257 E258 | V250-L254 VanDerWaalsContact O-CB 3.25Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 PolarHBondContact O-N 3.12Å; Q251-L254 PolarHBondContact O-N 2.98Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 2.92Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.48Å; L254-A257 PolarHBondContact O-N 3.01Å; L254-E258 HydrophobicContact CD2-CG 4.15Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.28Å; L254-E258 WeakPolarHBondContact O-CB 3.31Å; L254-E258 WeakPolarHBondContact O-CG 3.44Å; L254-E258 PolarHBondContact O-N 3.05Å |
| 255 | S | 84.6 | Confident | 82.4 | Confident | 49 Ų | 49 | 110.1 Ų | 110.1 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | Q251 E252 K259 | Q251-S255 WeakPolarHBondContact O-CB 3.5Å; Q251-S255 PolarHBondContact O-N 3.02Å; E252-S255 WeakPolarHBondContact O-CB 3.41Å; E252-S255 PolarHBondContact O-N 3.24Å; S255-K259 WeakPolarHBondContact O-CG 3.35Å; S255-K259 PolarHBondContact O-N 2.81Å; S255-K259 VanDerWaalsContact O-N 3.15Å |
| 256 | L | 82.8 | Confident | 81.7 | Confident | 101 Ų | 101 | 108.6 Ų | 108.6 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 174.8 | -73.5 | 168.5 | 0 | 0 | 0 | 111.9 | E252 Q253 L254 K259 E260 | E252-L256 HydrophobicContact CG-CD1 4.48Å; E252-L256 WeakPolarHBondContact O-CG 3.43Å; E252-L256 PolarHBondContact O-N 3.32Å; Q253-L256 PolarHBondContact O-N 3.34Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.48Å; L256-K259 PolarHBondContact O-N 3.29Å; L256-E260 PolarHBondContact O-N 2.98Å |
| 257 | A | 79.9 | Confident | 81 | Confident | 53 Ų | 53 | 110 Ų | 110 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q253 L254 E260 L261 | Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.26Å; L254-A257 PolarHBondContact O-N 3.01Å; A257-E260 PolarHBondContact O-N 3.25Å; A257-L261 WeakPolarHBondContact O-CB 3.46Å; A257-L261 PolarHBondContact O-N 2.88Å |
| 258 | E | 80.4 | Confident | 80.7 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.1 | -45 | 173.2 | -77.2 | 178.6 | 163.2 | 0 | 0 | 111.2 | L254 E260 L261 E262 | L254-E258 HydrophobicContact CD2-CG 4.15Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.28Å; L254-E258 WeakPolarHBondContact O-CB 3.31Å; L254-E258 WeakPolarHBondContact O-CG 3.44Å; L254-E258 PolarHBondContact O-N 3.05Å; E258-E260 PolarHBondContact O-N 2.94Å; E258-L261 PolarHBondContact O-N 2.73Å; E258-E262 WeakPolarHBondContact O-CB 3.33Å; E258-E262 PolarHBondContact O-N 3.46Å |
| 259 | K | 81.6 | Confident | 79.7 | Confident | 141 Ų | 141 | 105.7 Ų | 105.7 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.2 | -39 | 175.4 | -75.8 | 175.7 | -177.8 | 172.6 | 0 | 112.7 | S255 L256 K263 | S255-K259 WeakPolarHBondContact O-CG 3.35Å; S255-K259 PolarHBondContact O-N 2.81Å; S255-K259 VanDerWaalsContact O-N 3.15Å; L256-K259 PolarHBondContact O-N 3.29Å; K259-K263 WeakPolarHBondContact O-CB 3.27Å; K259-K263 PolarHBondContact O-N 3.06Å; K259-K263 VanDerWaalsContact O-N 3.14Å |
| 260 | E | 79.9 | Confident | 78.9 | Confident | 129 Ų | 129 | 102.6 Ų | 102.6 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70 | -39.9 | 175.2 | -81.8 | -162.1 | 154.3 | 0 | 0 | 112.8 | L256 A257 E258 K263 K264 | L256-E260 PolarHBondContact O-N 2.98Å; A257-E260 PolarHBondContact O-N 3.25Å; E258-E260 PolarHBondContact O-N 2.94Å; E260-K263 WeakPolarHBondContact O-CB 3.35Å; E260-K263 PolarHBondContact O-N 3.28Å; E260-K264 PolarHBondContact O-N 3.29Å |
| 261 | L | 77.6 | Confident | 78.5 | Confident | 128 Ų | 128 | 103 Ų | 103 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 178.4 | -158.3 | 88.3 | 0 | 0 | 0 | 110.5 | A257 E258 K263 K264 F265 | A257-L261 WeakPolarHBondContact O-CB 3.46Å; A257-L261 PolarHBondContact O-N 2.88Å; E258-L261 PolarHBondContact O-N 2.73Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.76Å; L261-K264 CarbonylContact O-C 3.6Å; L261-K264 PolarHBondContact O-N 2.94Å; L261-F265 VanDerWaalsContact O-CB 3.28Å; L261-F265 WeakPolarHBondContact O-CB 3.5Å; L261-F265 PolarHBondContact O-N 3.41Å |
| 262 | E | 77.4 | Confident | 78 | Confident | 99 Ų | 99 | 103.8 Ų | 103.8 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 173.4 | -177.5 | 56.2 | -142.1 | 0 | 0 | 110.8 | E258 K264 F265 Q266 | E258-E262 WeakPolarHBondContact O-CB 3.33Å; E258-E262 PolarHBondContact O-N 3.46Å; E262-K264 PolarHBondContact O-N 3.31Å; E262-F265 PolarHBondContact O-N 3.26Å; E262-Q266 WeakPolarHBondContact O-CG 3.39Å; E262-Q266 PolarHBondContact O-N 3.47Å; E262-Q266 PolarHBondContact OE1-NE2 3.35Å |
| 263 | K | 78 | Confident | 77.4 | Confident | 139 Ų | 139 | 101.9 Ų | 101.9 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 176.3 | -163.7 | 177.2 | -176.3 | -179.4 | 0 | 112.3 | K259 E260 L261 Q267 | K259-K263 WeakPolarHBondContact O-CB 3.27Å; K259-K263 PolarHBondContact O-N 3.06Å; K259-K263 VanDerWaalsContact O-N 3.14Å; E260-K263 WeakPolarHBondContact O-CB 3.35Å; E260-K263 PolarHBondContact O-N 3.28Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.76Å; K263-Q267 VanDerWaalsContact O-CG 3.27Å; K263-Q267 WeakPolarHBondContact O-CG 3.5Å; K263-Q267 PolarHBondContact O-N 2.95Å |
| 264 | K | 79.1 | Confident | 76.7 | Confident | 139 Ų | 139 | 101.8 Ų | 101.8 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -36.9 | 175.7 | -75.5 | -168.4 | -179.4 | 178.3 | 0 | 112.3 | E260 L261 E262 Q267 T268 | E260-K264 PolarHBondContact O-N 3.29Å; L261-K264 CarbonylContact O-C 3.6Å; L261-K264 PolarHBondContact O-N 2.94Å; E262-K264 PolarHBondContact O-N 3.31Å; K264-Q267 CarbonylContact O-C 3.49Å; K264-Q267 PolarHBondContact O-N 3.48Å; K264-Q267 VanDerWaalsContact O-N 3.1Å; K264-T268 PolarHBondContact O-N 3.06Å; K264-T268 VanDerWaalsContact O-N 3.08Å; K264-T268 PolarHBondContact O-OG1 3.27Å |
| 265 | F | 76 | Confident | 76.5 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 174.9 | 179.7 | -102.8 | 0 | 0 | 0 | 110.7 | L261 E262 Q267 T268 Y271 | L261-F265 VanDerWaalsContact O-CB 3.28Å; L261-F265 WeakPolarHBondContact O-CB 3.5Å; L261-F265 PolarHBondContact O-N 3.41Å; E262-F265 PolarHBondContact O-N 3.26Å; F265-Q267 PolarHBondContact O-N 3.4Å; F265-Q267 VanDerWaalsContact O-N 3.15Å; F265-T268 WeakPolarHBondContact O-CB 3.32Å; F265-T268 PolarHBondContact O-N 2.9Å; F265-T268 PolarHBondContact O-OG1 2.85Å; F265-Y271 HydrophobicContact CD1-CD2 4.45Å; F265-Y271 AromaticContact CE1-CD2 3.69Å; F265-Y271 HydrophobicContact CE1-CD2 3.69Å; F265-Y271 AromaticContact CE1-CE2 3.93Å; F265-Y271 HydrophobicContact CE1-CE2 3.93Å; F265-Y271 HydrophobicContact CE1-CG 4.35Å; F265-Y271 AromaticContact CZ-CD2 4Å; F265-Y271 HydrophobicContact CZ-CD2 4Å |
| 266 | Q | 71.3 | Confident | 76 | Confident | 103 Ų | 103 | 105.5 Ų | 105.5 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -25.9 | 174.4 | -69.9 | 177.2 | 18.8 | 0 | 0 | 113.5 | E262 Y271 | E262-Q266 WeakPolarHBondContact O-CG 3.39Å; E262-Q266 PolarHBondContact O-N 3.47Å; E262-Q266 PolarHBondContact OE1-NE2 3.35Å; Q266-Y271 HydrophobicContact CG-CE1 4.49Å |
| 267 | Q | 72.2 | Confident | 75.6 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -4.4 | 177.1 | -69.6 | 177 | 7.7 | 0 | 0 | 114.3 | K263 K264 F265 R272 | K263-Q267 VanDerWaalsContact O-CG 3.27Å; K263-Q267 WeakPolarHBondContact O-CG 3.5Å; K263-Q267 PolarHBondContact O-N 2.95Å; K264-Q267 CarbonylContact O-C 3.49Å; K264-Q267 PolarHBondContact O-N 3.48Å; K264-Q267 VanDerWaalsContact O-N 3.1Å; F265-Q267 PolarHBondContact O-N 3.4Å; F265-Q267 VanDerWaalsContact O-N 3.15Å; Q267-R272 PolarHBondContact O-NH1 3.27Å; Q267-R272 PolarHBondContact O-NH2 3.47Å |
| 268 | T | 79.4 | Confident | 75.3 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -74.5 | 138.7 | -175.5 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | K264 F265 A270 Y271 R272 | K264-T268 PolarHBondContact O-N 3.06Å; K264-T268 VanDerWaalsContact O-N 3.08Å; K264-T268 PolarHBondContact O-OG1 3.27Å; F265-T268 WeakPolarHBondContact O-CB 3.32Å; F265-T268 PolarHBondContact O-N 2.9Å; F265-T268 PolarHBondContact O-OG1 2.85Å; T268-A270 HydrophobicContact CG2-CB 4.4Å; T268-A270 PolarHBondContact O-N 3.46Å; T268-A270 VanDerWaalsContact O-N 3.14Å; T268-Y271 PolarHBondContact O-N 3.37Å; T268-R272 PolarHBondContact O-N 3.3Å |
| 269 | A | 66.3 | Low | 75.1 | Confident | 59 Ų | 59 | 105 Ų | 105 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.8 | -30.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N273 | A269-N273 WeakPolarHBondContact O-CB 3.45Å; A269-N273 VanDerWaalsContact O-CG 3.3Å; A269-N273 PolarHBondContact O-N 3.02Å; A269-N273 PolarHBondContact O-ND2 2.99Å |
| 270 | A | 69.3 | Low | 74.9 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.2 | -46.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T268 M274 | T268-A270 HydrophobicContact CG2-CB 4.4Å; T268-A270 PolarHBondContact O-N 3.46Å; T268-A270 VanDerWaalsContact O-N 3.14Å; A270-M274 VanDerWaalsContact O-CB 3.25Å; A270-M274 WeakPolarHBondContact O-CB 3.32Å; A270-M274 PolarHBondContact O-N 3.43Å |
| 271 | Y | 77.8 | Confident | 74.8 | Confident | 87 Ų | 87 | 103.9 Ų | 103.9 | 34% | 0.341 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176 | -169.4 | -101.6 | 0 | 0 | 0 | 111.3 | F265 Q266 T268 M274 K275 | F265-Y271 HydrophobicContact CD1-CD2 4.45Å; F265-Y271 AromaticContact CE1-CD2 3.69Å; F265-Y271 HydrophobicContact CE1-CD2 3.69Å; F265-Y271 AromaticContact CE1-CE2 3.93Å; F265-Y271 HydrophobicContact CE1-CE2 3.93Å; F265-Y271 HydrophobicContact CE1-CG 4.35Å; F265-Y271 AromaticContact CZ-CD2 4Å; F265-Y271 HydrophobicContact CZ-CD2 4Å; Q266-Y271 HydrophobicContact CG-CE1 4.49Å; T268-Y271 PolarHBondContact O-N 3.37Å; Y271-M274 HydrophobicContact CD2-CE 4.43Å; Y271-M274 PolarHBondContact O-N 2.91Å; Y271-K275 VanDerWaalsContact O-CB 3.27Å; Y271-K275 WeakPolarHBondContact O-CB 3.38Å; Y271-K275 PolarHBondContact O-N 3.46Å |
| 272 | R | 72.9 | Confident | 74.9 | Confident | 138 Ų | 138 | 102.1 Ų | 102.1 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.7 | -141.6 | -177.4 | -79.8 | 133.8 | -9.4 | 111.5 | Q267 T268 K275 E276 | Q267-R272 PolarHBondContact O-NH1 3.27Å; Q267-R272 PolarHBondContact O-NH2 3.47Å; T268-R272 PolarHBondContact O-N 3.3Å; R272-K275 PolarHBondContact O-N 3.08Å; R272-E276 WeakPolarHBondContact O-CB 3.35Å; R272-E276 PolarHBondContact O-N 3.06Å |
| 273 | N | 71.9 | Confident | 74.9 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 172.7 | -83 | -24 | 0 | 0 | 0 | 112 | A269 E276 I277 | A269-N273 WeakPolarHBondContact O-CB 3.45Å; A269-N273 VanDerWaalsContact O-CG 3.3Å; A269-N273 PolarHBondContact O-N 3.02Å; A269-N273 PolarHBondContact O-ND2 2.99Å; N273-E276 PolarHBondContact O-N 3.35Å; N273-I277 WeakPolarHBondContact O-CB 3.46Å; N273-I277 WeakPolarHBondContact O-CD1 3.09Å; N273-I277 WeakPolarHBondContact O-CG1 3.44Å; N273-I277 PolarHBondContact O-N 3.5Å |
| 274 | M | 70 | Confident | 74.8 | Confident | 109 Ų | 109 | 100.8 Ų | 100.8 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.9 | -169.2 | 169 | 82.7 | 0 | 0 | 111.3 | A270 Y271 E276 I277 L278 | A270-M274 VanDerWaalsContact O-CB 3.25Å; A270-M274 WeakPolarHBondContact O-CB 3.32Å; A270-M274 PolarHBondContact O-N 3.43Å; Y271-M274 HydrophobicContact CD2-CE 4.43Å; Y271-M274 PolarHBondContact O-N 2.91Å; M274-E276 VanDerWaalsContact C-N 3.34Å; M274-I277 PolarHBondContact O-N 3.16Å; M274-L278 HydrophobicContact CG-CD1 4.22Å; M274-L278 WeakPolarHBondContact O-CB 3.29Å; M274-L278 PolarHBondContact O-N 3.09Å |
| 275 | K | 77 | Confident | 74.6 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 172.7 | -171.8 | 173.9 | -176.7 | 177.1 | 0 | 111.2 | Y271 R272 L278 T279 | Y271-K275 VanDerWaalsContact O-CB 3.27Å; Y271-K275 WeakPolarHBondContact O-CB 3.38Å; Y271-K275 PolarHBondContact O-N 3.46Å; R272-K275 PolarHBondContact O-N 3.08Å; K275-L278 PolarHBondContact O-N 3.29Å; K275-T279 PolarHBondContact O-N 2.99Å; K275-T279 PolarHBondContact O-OG1 3.46Å |
| 276 | E | 74.9 | Confident | 74.7 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 41% | 0.407 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 179.4 | -153.3 | -171.2 | 145.8 | 0 | 0 | 112.7 | R272 N273 M274 T279 K280 | R272-E276 WeakPolarHBondContact O-CB 3.35Å; R272-E276 PolarHBondContact O-N 3.06Å; N273-E276 PolarHBondContact O-N 3.35Å; M274-E276 VanDerWaalsContact C-N 3.34Å; E276-T279 VanDerWaalsContact CA-OG1 3.24Å; E276-T279 WeakPolarHBondContact CA-OG1 3.35Å; E276-T279 PolarHBondContact O-OG1 3.42Å; E276-K280 VanDerWaalsContact O-CB 3.28Å; E276-K280 WeakPolarHBondContact O-CB 3.26Å; E276-K280 WeakPolarHBondContact O-CG 3.44Å; E276-K280 PolarHBondContact O-N 3.11Å; E276-K280 IonicContact OE1-NZ 2.73Å; E276-K280 PolarHBondContact OE1-NZ 2.98Å |
| 277 | I | 75 | Confident | 74.8 | Confident | 99 Ų | 99 | 99 Ų | 99 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 172.6 | -69.7 | 164.5 | 0 | 0 | 0 | 110.4 | N273 M274 K280 K281 | N273-I277 WeakPolarHBondContact O-CB 3.46Å; N273-I277 WeakPolarHBondContact O-CD1 3.09Å; N273-I277 WeakPolarHBondContact O-CG1 3.44Å; N273-I277 PolarHBondContact O-N 3.5Å; M274-I277 PolarHBondContact O-N 3.16Å; I277-K280 PolarHBondContact O-N 2.77Å; I277-K281 HydrophobicContact CG2-CG 4.44Å; I277-K281 VanDerWaalsContact O-CB 3.31Å; I277-K281 WeakPolarHBondContact O-CB 3.42Å; I277-K281 WeakPolarHBondContact O-CG 3.36Å; I277-K281 PolarHBondContact O-N 3.46Å |
| 278 | L | 73.3 | Confident | 74.7 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.9 | -98.7 | 149.8 | 0 | 0 | 0 | 111.8 | M274 K275 N282 | M274-L278 HydrophobicContact CG-CD1 4.22Å; M274-L278 WeakPolarHBondContact O-CB 3.29Å; M274-L278 PolarHBondContact O-N 3.09Å; K275-L278 PolarHBondContact O-N 3.29Å; L278-N282 WeakPolarHBondContact O-CB 3.47Å; L278-N282 PolarHBondContact O-N 3.48Å |
| 279 | T | 76.7 | Confident | 74.3 | Confident | 68 Ų | 68 | 104.4 Ų | 104.4 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 174 | 46 | 0 | 0 | 0 | 0 | 111.4 | K275 E276 K281 N282 D283 | K275-T279 PolarHBondContact O-N 2.99Å; K275-T279 PolarHBondContact O-OG1 3.46Å; E276-T279 VanDerWaalsContact CA-OG1 3.24Å; E276-T279 WeakPolarHBondContact CA-OG1 3.35Å; E276-T279 PolarHBondContact O-OG1 3.42Å; T279-K281 PolarHBondContact O-N 3Å; T279-N282 PolarHBondContact O-N 3.41Å; T279-D283 WeakPolarHBondContact O-CB 3.42Å; T279-D283 VanDerWaalsContact O-CG 3.29Å; T279-D283 PolarHBondContact O-N 2.87Å |
| 280 | K | 76.9 | Confident | 74.5 | Confident | 113 Ų | 113 | 108.9 Ų | 108.9 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.5 | -81.4 | 173 | 175.2 | 156.6 | 0 | 112.6 | E276 I277 D283 Q284 | E276-K280 VanDerWaalsContact O-CB 3.28Å; E276-K280 WeakPolarHBondContact O-CB 3.26Å; E276-K280 WeakPolarHBondContact O-CG 3.44Å; E276-K280 PolarHBondContact O-N 3.11Å; E276-K280 IonicContact OE1-NZ 2.73Å; E276-K280 PolarHBondContact OE1-NZ 2.98Å; I277-K280 PolarHBondContact O-N 2.77Å; K280-D283 PolarHBondContact O-N 2.93Å; K280-Q284 WeakPolarHBondContact O-CB 3.46Å; K280-Q284 VanDerWaalsContact O-CG 3.23Å; K280-Q284 WeakPolarHBondContact O-CG 3.43Å; K280-Q284 PolarHBondContact O-N 3.39Å |
| 281 | K | 77.8 | Confident | 74.3 | Confident | 132 Ų | 132 | 114.6 Ų | 114.6 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | 173.9 | -80.4 | -161 | 175.3 | -166.7 | 0 | 111.6 | I277 T279 Q284 I285 | I277-K281 HydrophobicContact CG2-CG 4.44Å; I277-K281 VanDerWaalsContact O-CB 3.31Å; I277-K281 WeakPolarHBondContact O-CB 3.42Å; I277-K281 WeakPolarHBondContact O-CG 3.36Å; I277-K281 PolarHBondContact O-N 3.46Å; T279-K281 PolarHBondContact O-N 3Å; K281-Q284 PolarHBondContact O-N 3.42Å; K281-I285 WeakPolarHBondContact O-CB 3.39Å; K281-I285 WeakPolarHBondContact O-CD1 3.1Å; K281-I285 WeakPolarHBondContact O-CG1 3.43Å; K281-I285 PolarHBondContact O-N 2.88Å |
| 282 | N | 78.9 | Confident | 73.6 | Confident | 92 Ų | 92 | 114.8 Ų | 114.8 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 173.1 | -90.1 | -27.1 | 0 | 0 | 0 | 112.4 | L278 T279 I285 K286 | L278-N282 WeakPolarHBondContact O-CB 3.47Å; L278-N282 PolarHBondContact O-N 3.48Å; T279-N282 PolarHBondContact O-N 3.41Å; N282-I285 PolarHBondContact O-N 2.99Å; N282-K286 WeakPolarHBondContact O-CB 3.36Å; N282-K286 PolarHBondContact O-N 3.36Å |
| 283 | D | 78.8 | Confident | 73.1 | Confident | 91 Ų | 91 | 111.5 Ų | 111.5 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 175.9 | -69.6 | -27.3 | 0 | 0 | 0 | 111.4 | T279 K280 K286 D287 | T279-D283 WeakPolarHBondContact O-CB 3.42Å; T279-D283 VanDerWaalsContact O-CG 3.29Å; T279-D283 PolarHBondContact O-N 2.87Å; K280-D283 PolarHBondContact O-N 2.93Å; D283-K286 CarbonylContact O-C 3.59Å; D283-K286 WeakPolarHBondContact O-CB 3.31Å; D283-K286 PolarHBondContact O-N 3.39Å; D283-D287 PolarHBondContact O-N 2.87Å |
| 284 | Q | 74.5 | Confident | 72.6 | Confident | 119 Ų | 119 | 115.6 Ų | 115.6 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.5 | -38.3 | 171.1 | -75.2 | 175.1 | -11.5 | 0 | 0 | 112.2 | K280 K281 K286 D287 L288 | K280-Q284 WeakPolarHBondContact O-CB 3.46Å; K280-Q284 VanDerWaalsContact O-CG 3.23Å; K280-Q284 WeakPolarHBondContact O-CG 3.43Å; K280-Q284 PolarHBondContact O-N 3.39Å; K281-Q284 PolarHBondContact O-N 3.42Å; Q284-K286 VanDerWaalsContact C-N 3.33Å; Q284-D287 PolarHBondContact O-N 3.1Å; Q284-L288 VanDerWaalsContact O-CB 3.23Å; Q284-L288 WeakPolarHBondContact O-CB 3.49Å; Q284-L288 WeakPolarHBondContact O-CG 3.3Å; Q284-L288 PolarHBondContact O-N 3.26Å |
| 285 | I | 75.2 | Confident | 72.1 | Confident | 75 Ų | 75 | 120.7 Ų | 120.7 | 39% | 0.385 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 172 | -73.5 | 165.7 | 0 | 0 | 0 | 110 | K281 N282 R289 | K281-I285 WeakPolarHBondContact O-CB 3.39Å; K281-I285 WeakPolarHBondContact O-CD1 3.1Å; K281-I285 WeakPolarHBondContact O-CG1 3.43Å; K281-I285 PolarHBondContact O-N 2.88Å; N282-I285 PolarHBondContact O-N 2.99Å; I285-R289 HydrophobicContact CG2-CG 4.43Å; I285-R289 VanDerWaalsContact O-CB 3.25Å; I285-R289 WeakPolarHBondContact O-CB 3.2Å; I285-R289 WeakPolarHBondContact O-CG 3.36Å; I285-R289 PolarHBondContact O-N 2.92Å |
| 286 | K | 78.3 | Confident | 71.1 | Confident | 141 Ų | 141 | 120.3 Ų | 120.3 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.5 | -42.4 | 173.7 | -102.2 | 179.8 | 176 | 176.3 | 0 | 112.5 | N282 D283 Q284 R289 K290 | N282-K286 WeakPolarHBondContact O-CB 3.36Å; N282-K286 PolarHBondContact O-N 3.36Å; D283-K286 CarbonylContact O-C 3.59Å; D283-K286 WeakPolarHBondContact O-CB 3.31Å; D283-K286 PolarHBondContact O-N 3.39Å; Q284-K286 VanDerWaalsContact C-N 3.33Å; K286-R289 PolarHBondContact O-N 3.35Å; K286-K290 WeakPolarHBondContact O-CB 3.42Å; K286-K290 PolarHBondContact O-N 2.78Å |
| 287 | D | 73.8 | Confident | 69.7 | Low | 100 Ų | 100 | 121.7 Ų | 121.7 | 54% | 0.535 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.7 | -37.1 | 178.5 | -93.7 | -2.4 | 0 | 0 | 0 | 112.5 | D283 Q284 K290 R291 | D283-D287 PolarHBondContact O-N 2.87Å; Q284-D287 PolarHBondContact O-N 3.1Å; D287-K290 PolarHBondContact O-N 2.62Å; D287-R291 WeakPolarHBondContact O-CB 3.5Å; D287-R291 PolarHBondContact O-N 2.79Å |
| 288 | L | 69.2 | Low | 68.3 | Low | 104 Ų | 104 | 125.5 Ų | 125.5 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.9 | -39.7 | 170.9 | -74.3 | 168.7 | 0 | 0 | 0 | 111 | Q284 R291 L292 | Q284-L288 VanDerWaalsContact O-CB 3.23Å; Q284-L288 WeakPolarHBondContact O-CB 3.49Å; Q284-L288 WeakPolarHBondContact O-CG 3.3Å; Q284-L288 PolarHBondContact O-N 3.26Å; L288-R291 PolarHBondContact O-N 3.42Å; L288-L292 WeakPolarHBondContact O-CB 3.22Å; L288-L292 WeakPolarHBondContact O-CD1 3.27Å; L288-L292 PolarHBondContact O-N 2.94Å |
| 289 | R | 71.2 | Confident | 66.6 | Low | 182 Ų | 182 | 132.2 Ų | 132.2 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.3 | -41.4 | 169.9 | -76.3 | 174 | -179.7 | -171.9 | 0.8 | 111.9 | I285 K286 R291 A293 | I285-R289 HydrophobicContact CG2-CG 4.43Å; I285-R289 VanDerWaalsContact O-CB 3.25Å; I285-R289 WeakPolarHBondContact O-CB 3.2Å; I285-R289 WeakPolarHBondContact O-CG 3.36Å; I285-R289 PolarHBondContact O-N 2.92Å; K286-R289 PolarHBondContact O-N 3.35Å; R289-R291 PolarHBondContact O-N 3.43Å; R289-A293 WeakPolarHBondContact O-CB 3.16Å; R289-A293 PolarHBondContact O-N 3.37Å |
| 290 | K | 71.6 | Confident | 66.1 | Low | 154 Ų | 154 | 135.4 Ų | 135.4 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.4 | -31.7 | 174.1 | -90.4 | -177.9 | 174.8 | 177.9 | 0 | 113.6 | K286 D287 | K286-K290 WeakPolarHBondContact O-CB 3.42Å; K286-K290 PolarHBondContact O-N 2.78Å; D287-K290 PolarHBondContact O-N 2.62Å |
| 291 | R | 65.8 | Low | 65.5 | Low | 193 Ų | 193 | 136.6 Ų | 136.6 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.7 | -35.4 | 175.6 | -95.8 | 178.1 | 172 | 157 | -2 | 112.8 | D287 L288 R289 A293 K294 | D287-R291 WeakPolarHBondContact O-CB 3.5Å; D287-R291 PolarHBondContact O-N 2.79Å; L288-R291 PolarHBondContact O-N 3.42Å; R289-R291 PolarHBondContact O-N 3.43Å; R291-A293 VanDerWaalsContact C-N 3.31Å; R291-K294 PolarHBondContact O-N 2.94Å |
| 292 | L | 61.7 | Low | 64.8 | Low | 90 Ų | 90 | 136.8 Ų | 136.8 | 47% | 0.471 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -62.9 | -39.1 | 168.6 | -103.8 | 89.4 | 0 | 0 | 0 | 111 | L288 K294 Y295 E296 | L288-L292 WeakPolarHBondContact O-CB 3.22Å; L288-L292 WeakPolarHBondContact O-CD1 3.27Å; L288-L292 PolarHBondContact O-N 2.94Å; L292-K294 PolarHBondContact O-N 3.36Å; L292-Y295 CarbonylContact O-C 3.59Å; L292-Y295 PolarHBondContact O-N 3.11Å; L292-E296 PolarHBondContact O-N 3.29Å |
| 293 | A | 63.8 | Low | 64 | Low | 70 Ų | 70 | 139.5 Ų | 139.5 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -8.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R289 R291 | R289-A293 WeakPolarHBondContact O-CB 3.16Å; R289-A293 PolarHBondContact O-N 3.37Å; R291-A293 VanDerWaalsContact C-N 3.31Å |
| 294 | K | 59.5 | Low | 63 | Low | 176 Ų | 176 | 142.5 Ų | 142.5 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -12.4 | 171.1 | -88.3 | -173.3 | 174.4 | -174.6 | 0 | 114 | R291 L292 | R291-K294 PolarHBondContact O-N 2.94Å; L292-K294 PolarHBondContact O-N 3.36Å |
| 295 | Y | 60.3 | Low | 62.3 | Low | 216 Ų | 216 | 144.1 Ų | 144.1 | 85% | 0.847 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 8.4 | -179.1 | -73.7 | -77.5 | 0 | 0 | 0 | 113.4 | L292 | L292-Y295 CarbonylContact O-C 3.59Å; L292-Y295 PolarHBondContact O-N 3.11Å |
| 296 | E | 56.8 | Low | 61.4 | Low | 127 Ų | 127 | 149 Ų | 149 | 59% | 0.593 | 71% | 0.711 | S | S | * | * | trans | -123.4 | 105.9 | 169.3 | -72.2 | 174.5 | 168.1 | 0 | 0 | 108.3 | L292 | L292-E296 PolarHBondContact O-N 3.29Š| ||
| 297 | S | 45 | Very low | 60.1 | Low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -71.5 | 124.9 | 153.3 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 298 | E | 46.2 | Very low | 58.9 | Low | 179 Ų | 179 | 153.8 Ų | 153.8 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | 38 | 102 | 158.5 | -64.1 | -174.7 | 157.3 | 0 | 0 | 116.4 | ||||
| 299 | D | 36 | Very low | 58 | Low | 239 Ų | 239 | 158.3 Ų | 158.3 | 100% | 1.278 | 75% | 0.751 | S | S | * | * | -149.1 | 0 | 82.8 | -83.9 | -33.8 | 0 | 0 | 0 | 112 |
Retrieved 299 of 299 residues in 79.7 ms
(Link to these results)