| 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 | 49.2 | Very low | 72.3 | Confident | 174 Ų | 174 | 91.9 Ų | 91.9 | 86% | 0.857 | 49% | 0.487 | S | S | * | . | 0 | 132.9 | 0 | -87.3 | 165.5 | 161.5 | 0 | 0 | 106 | D3 | M1-D3 PolarHBondContact O-N 3.09Š| |||
| 2 | A | 53.4 | Low | 73.3 | Confident | 34 Ų | 34 | 89.1 Ų | 89.1 | 28% | 0.281 | 48% | 0.48 | S | S | . | . | trans | -63 | 105.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | F4 F117 | A2-F4 HydrophobicContact CB-CE2 4.21Å; A2-F4 HydrophobicContact CB-CZ 4.27Å; A2-F117 HydrophobicContact CB-CD2 4.45Å | ||
| 3 | D | 59.3 | Low | 74.4 | Confident | 124 Ų | 124 | 88.5 Ų | 88.5 | 66% | 0.663 | 47% | 0.472 | S | S | * | . | trans | -92 | 103.9 | 179.2 | -173.4 | 2.8 | 0 | 0 | 0 | 107 | M1 G5 | M1-D3 PolarHBondContact O-N 3.09Å; D3-G5 PolarHBondContact O-N 2.92Å; D3-G5 PolarHBondContact OD1-N 2.97Å | ||
| 4 | F | 66.3 | Low | 75.4 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 26% | 0.263 | 46% | 0.459 | S | S | . | . | trans | -75.4 | 7.4 | 176.9 | -65 | -77.1 | 0 | 0 | 0 | 112.2 | A2 F6 Q113 V114 F117 | A2-F4 HydrophobicContact CB-CE2 4.21Å; A2-F4 HydrophobicContact CB-CZ 4.27Å; F4-F6 VanDerWaalsContact C-N 3.26Å; F4-F6 HydrophobicContact CB-CD2 3.35Å; F4-F6 HydrophobicContact CB-CE2 3.22Å; F4-F6 HydrophobicContact CB-CG 4.24Å; F4-F6 HydrophobicContact CB-CZ 4.04Å; F4-F6 HydrophobicContact CD2-CE2 4.47Å; F4-F6 HydrophobicContact CG-CD2 4.29Å; F4-F6 AromaticContact CG-CE2 3.94Å; F4-F6 HydrophobicContact CG-CE2 3.94Å; F4-F6 PolarHBondContact O-N 3.29Å; F4-Q113 HydrophobicContact CE1-CB 4.03Å; F4-Q113 HydrophobicContact CZ-CB 4.25Å; F4-V114 HydrophobicContact CE1-CG2 3.79Å; F4-V114 HydrophobicContact CZ-CB 4.42Å; F4-V114 HydrophobicContact CZ-CG2 3.73Å; F4-F117 HydrophobicContact CE2-CB 3.87Å; F4-F117 HydrophobicContact CE2-CD1 4.12Å; F4-F117 AromaticContact CE2-CD2 3.92Å; F4-F117 HydrophobicContact CE2-CD2 3.92Å; F4-F117 AromaticContact CE2-CG 3.71Å; F4-F117 HydrophobicContact CE2-CG 3.71Å; F4-F117 HydrophobicContact CZ-CB 4.12Å; F4-F117 HydrophobicContact CZ-CG 4.44Å | ||
| 5 | G | 70.5 | Confident | 76.1 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 73.7 | 19.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D3 | D3-G5 PolarHBondContact O-N 2.92Å; D3-G5 PolarHBondContact OD1-N 2.97Å |
| 6 | F | 77.2 | Confident | 76.8 | Confident | 96 Ų | 96 | 81.5 Ų | 81.5 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | trans | -86.3 | 150.4 | 179.1 | -63.1 | -47.4 | 0 | 0 | 0 | 111.4 | F4 H10 I14 | F4-F6 VanDerWaalsContact C-N 3.26Å; F4-F6 HydrophobicContact CB-CD2 3.35Å; F4-F6 HydrophobicContact CB-CE2 3.22Å; F4-F6 HydrophobicContact CB-CG 4.24Å; F4-F6 HydrophobicContact CB-CZ 4.04Å; F4-F6 HydrophobicContact CD2-CE2 4.47Å; F4-F6 HydrophobicContact CG-CD2 4.29Å; F4-F6 AromaticContact CG-CE2 3.94Å; F4-F6 HydrophobicContact CG-CE2 3.94Å; F4-F6 PolarHBondContact O-N 3.29Å; F6-H10 HydrophobicContact CB-CB 4.04Å; F6-H10 HydrophobicContact CG-CB 4.46Å; F6-I14 HydrophobicContact CD2-CD1 3.21Å; F6-I14 HydrophobicContact CE1-CD1 4.49Å; F6-I14 HydrophobicContact CE2-CD1 3.16Å; F6-I14 HydrophobicContact CG-CD1 3.96Å; F6-I14 HydrophobicContact CZ-CD1 3.87Å | ||
| 7 | N | 84.7 | Confident | 77.7 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | trans | -67.9 | 159.6 | 167.7 | 69.2 | 33.8 | 0 | 0 | 0 | 110.6 | H9 H10 Q11 | N7-H9 PolarHBondContact O-N 3.02Å; N7-H9 VanDerWaalsContact O-N 3.13Å; N7-H9 PolarHBondContact OD1-N 3.34Å; N7-H10 PolarHBondContact ND2-CE1 3.34Å; N7-H10 PolarHBondContact ND2-ND1 3.45Å; N7-H10 PolarHBondContact O-N 2.88Å; N7-H10 VanDerWaalsContact O-N 3.1Å; N7-H10 VanDerWaalsContact OD1-CB 3.29Å; N7-H10 WeakPolarHBondContact OD1-CB 3.47Å; N7-H10 PolarHBondContact OD1-N 3.41Å; N7-H10 PolarHBondContact OD1-ND1 2.77Å; N7-Q11 PolarHBondContact O-N 3.5Å | ||
| 8 | E | 81.8 | Confident | 78.3 | Confident | 171 Ų | 171 | 78.1 Ų | 78.1 | 80% | 0.799 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.6 | -36.6 | -176.1 | -66.9 | -176.6 | 168.2 | 0 | 0 | 113 | S12 | E8-S12 WeakPolarHBondContact O-CB 3.48Å; E8-S12 PolarHBondContact O-N 2.8Å |
| 9 | H | 82.5 | Confident | 78.8 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -49.8 | 177.7 | 172.3 | -103.9 | 0 | 0 | 0 | 112.3 | N7 Q11 S12 E13 L140 | N7-H9 PolarHBondContact O-N 3.02Å; N7-H9 VanDerWaalsContact O-N 3.13Å; N7-H9 PolarHBondContact OD1-N 3.34Å; H9-Q11 VanDerWaalsContact C-N 3.29Å; H9-Q11 PolarHBondContact O-N 2.77Å; H9-S12 WeakPolarHBondContact O-CB 3.47Å; H9-S12 PolarHBondContact O-N 2.83Å; H9-E13 PolarHBondContact O-N 2.88Å; H9-L140 HydrophobicContact CB-CD1 4.32Å; H9-L140 HydrophobicContact CB-CD2 3.54Å; H9-L140 WeakPolarHBondContact CD2-CD1 3.27Å |
| 10 | H | 85.1 | Confident | 79.4 | Confident | 92 Ų | 92 | 80 Ų | 80 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 177.8 | -65 | 163.5 | 0 | 0 | 0 | 111.2 | F6 N7 E13 I14 | F6-H10 HydrophobicContact CB-CB 4.04Å; F6-H10 HydrophobicContact CG-CB 4.46Å; N7-H10 PolarHBondContact ND2-CE1 3.34Å; N7-H10 PolarHBondContact ND2-ND1 3.45Å; N7-H10 PolarHBondContact O-N 2.88Å; N7-H10 VanDerWaalsContact O-N 3.1Å; N7-H10 VanDerWaalsContact OD1-CB 3.29Å; N7-H10 WeakPolarHBondContact OD1-CB 3.47Å; N7-H10 PolarHBondContact OD1-N 3.41Å; N7-H10 PolarHBondContact OD1-ND1 2.77Å; H10-E13 PolarHBondContact O-N 3.21Å; H10-I14 WeakPolarHBondContact O-CB 3.23Å; H10-I14 WeakPolarHBondContact O-CD1 3.21Å; H10-I14 VanDerWaalsContact O-CG1 3.24Å; H10-I14 WeakPolarHBondContact O-CG1 3.47Å; H10-I14 PolarHBondContact O-N 3.13Å |
| 11 | Q | 85.3 | Confident | 79.9 | Confident | 52 Ų | 52 | 77.8 Ų | 77.8 | 24% | 0.243 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 172.4 | -170.9 | 175.3 | 5.1 | 0 | 0 | 111.3 | N7 H9 I14 I15 | N7-Q11 PolarHBondContact O-N 3.5Å; H9-Q11 VanDerWaalsContact C-N 3.29Å; H9-Q11 PolarHBondContact O-N 2.77Å; Q11-I14 PolarHBondContact O-N 2.79Å; Q11-I15 HydrophobicContact CG-CD1 4.23Å; Q11-I15 WeakPolarHBondContact O-CD1 3.36Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.29Å; Q11-I15 PolarHBondContact O-N 2.79Å |
| 12 | S | 84.9 | Confident | 81.8 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | E8 H9 I14 I15 N16 | E8-S12 WeakPolarHBondContact O-CB 3.48Å; E8-S12 PolarHBondContact O-N 2.8Å; H9-S12 WeakPolarHBondContact O-CB 3.47Å; H9-S12 PolarHBondContact O-N 2.83Å; S12-I14 PolarHBondContact O-N 3.44Å; S12-I15 PolarHBondContact O-N 3.5Å; S12-N16 PolarHBondContact O-N 3.47Å; S12-N16 PolarHBondContact O-ND2 3.48Å |
| 13 | E | 87 | Confident | 83.5 | Confident | 81 Ų | 81 | 76 Ų | 76 | 38% | 0.379 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 177.8 | -74.3 | -58.1 | 115.1 | 0 | 0 | 112.6 | H9 H10 I15 N16 Y17 | H9-E13 PolarHBondContact O-N 2.88Å; H10-E13 PolarHBondContact O-N 3.21Å; E13-I15 VanDerWaalsContact C-N 3.34Å; E13-I15 PolarHBondContact O-N 2.8Å; E13-N16 WeakPolarHBondContact O-CB 3.15Å; E13-N16 PolarHBondContact O-N 3.27Å; E13-Y17 PolarHBondContact O-N 2.89Å |
| 14 | I | 87.8 | Confident | 85 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175 | -71.2 | 165.9 | 0 | 0 | 0 | 110.6 | F6 H10 Q11 S12 N16 Y17 M18 | F6-I14 HydrophobicContact CD2-CD1 3.21Å; F6-I14 HydrophobicContact CE1-CD1 4.49Å; F6-I14 HydrophobicContact CE2-CD1 3.16Å; F6-I14 HydrophobicContact CG-CD1 3.96Å; F6-I14 HydrophobicContact CZ-CD1 3.87Å; H10-I14 WeakPolarHBondContact O-CB 3.23Å; H10-I14 WeakPolarHBondContact O-CD1 3.21Å; H10-I14 VanDerWaalsContact O-CG1 3.24Å; H10-I14 WeakPolarHBondContact O-CG1 3.47Å; H10-I14 PolarHBondContact O-N 3.13Å; Q11-I14 PolarHBondContact O-N 2.79Å; S12-I14 PolarHBondContact O-N 3.44Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 3.45Å; I14-Y17 PolarHBondContact O-N 3.43Å; I14-M18 HydrophobicContact CG2-CG 4.28Å; I14-M18 WeakPolarHBondContact O-CB 3.22Å; I14-M18 VanDerWaalsContact O-CG 3.24Å; I14-M18 WeakPolarHBondContact O-CG 3.37Å; I14-M18 PolarHBondContact O-N 2.82Å |
| 15 | I | 86.2 | Confident | 86.1 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.5 | -69.4 | 164.4 | 0 | 0 | 0 | 110.9 | Q11 S12 E13 M18 R19 F117 D121 | Q11-I15 HydrophobicContact CG-CD1 4.23Å; Q11-I15 WeakPolarHBondContact O-CD1 3.36Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.29Å; Q11-I15 PolarHBondContact O-N 2.79Å; S12-I15 PolarHBondContact O-N 3.5Å; E13-I15 VanDerWaalsContact C-N 3.34Å; E13-I15 PolarHBondContact O-N 2.8Å; I15-M18 PolarHBondContact O-N 3.35Å; I15-R19 WeakPolarHBondContact O-CG 3.36Å; I15-R19 PolarHBondContact O-N 3.48Å; I15-F117 HydrophobicContact CD1-CZ 4.13Å; I15-F117 HydrophobicContact CG1-CE1 3.9Å; I15-F117 HydrophobicContact CG1-CZ 3.79Å; I15-D121 WeakPolarHBondContact CD1-OD2 3.32Å |
| 16 | N | 87.9 | Confident | 87.1 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.4 | -72.3 | -29.1 | 0 | 0 | 0 | 111.8 | S12 E13 I14 R19 F20 | S12-N16 PolarHBondContact O-N 3.47Å; S12-N16 PolarHBondContact O-ND2 3.48Å; E13-N16 WeakPolarHBondContact O-CB 3.15Å; E13-N16 PolarHBondContact O-N 3.27Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 3.45Å; N16-R19 PolarHBondContact O-N 2.89Å; N16-F20 PolarHBondContact O-N 2.89Å |
| 17 | Y | 91.3 | Very high | 87.8 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.4 | 175.6 | -97.6 | 0 | 0 | 0 | 112 | E13 I14 R19 F20 A21 N80 L83 | E13-Y17 PolarHBondContact O-N 2.89Å; I14-Y17 PolarHBondContact O-N 3.43Å; Y17-R19 VanDerWaalsContact C-N 3.32Å; Y17-R19 PolarHBondContact O-N 2.81Å; Y17-F20 WeakPolarHBondContact O-CB 3.49Å; Y17-F20 PolarHBondContact O-N 2.85Å; Y17-F20 VanDerWaalsContact O-N 3.13Å; Y17-A21 WeakPolarHBondContact O-CB 3.44Å; Y17-A21 PolarHBondContact O-N 2.86Å; Y17-N80 PolarHBondContact OH-OD1 2.93Å; Y17-L83 HydrophobicContact CD2-CD2 3.88Å; Y17-L83 HydrophobicContact CE2-CD2 3.74Å; Y17-L83 HydrophobicContact CG-CD2 4.39Å |
| 18 | M | 88.7 | Confident | 88.1 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.5 | -71.5 | -68.3 | -80.8 | 0 | 0 | 112.1 | I14 I15 A21 R22 V114 E118 | I14-M18 HydrophobicContact CG2-CG 4.28Å; I14-M18 WeakPolarHBondContact O-CB 3.22Å; I14-M18 VanDerWaalsContact O-CG 3.24Å; I14-M18 WeakPolarHBondContact O-CG 3.37Å; I14-M18 PolarHBondContact O-N 2.82Å; I15-M18 PolarHBondContact O-N 3.35Å; M18-A21 PolarHBondContact O-N 3.32Å; M18-R22 WeakPolarHBondContact O-CB 3.39Å; M18-R22 PolarHBondContact O-N 2.9Å; M18-V114 HydrophobicContact CE-CG1 3.6Å; M18-V114 HydrophobicContact SD-CG1 4.23Å; M18-E118 HydrophobicContact CE-CB 3.7Å; M18-E118 HydrophobicContact CE-CG 3.85Å |
| 19 | R | 87.6 | Confident | 88.7 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 172.5 | -73.1 | 174.9 | -174.7 | 172.4 | 7.4 | 112.2 | I15 N16 Y17 R22 S23 F122 | I15-R19 WeakPolarHBondContact O-CG 3.36Å; I15-R19 PolarHBondContact O-N 3.48Å; N16-R19 PolarHBondContact O-N 2.89Å; Y17-R19 VanDerWaalsContact C-N 3.32Å; Y17-R19 PolarHBondContact O-N 2.81Å; R19-R22 PolarHBondContact O-N 3.44Å; R19-S23 WeakPolarHBondContact O-CB 3.36Å; R19-S23 PolarHBondContact O-N 3.22Å; R19-F122 HydrophobicContact CB-CZ 4.28Å; R19-F122 HydrophobicContact CG-CE1 3.62Å; R19-F122 HydrophobicContact CG-CZ 3.47Å; R19-F122 VanDerWaalsContact CG-CZ 3.47Å |
| 20 | F | 90.6 | Very high | 89.3 | Confident | 94 Ų | 94 | 76.5 Ų | 76.5 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 176 | 166.8 | -93.4 | 0 | 0 | 0 | 111.3 | N16 Y17 R22 S23 K24 T79 | N16-F20 PolarHBondContact O-N 2.89Å; Y17-F20 WeakPolarHBondContact O-CB 3.49Å; Y17-F20 PolarHBondContact O-N 2.85Å; Y17-F20 VanDerWaalsContact O-N 3.13Å; F20-R22 PolarHBondContact O-N 2.82Å; F20-S23 PolarHBondContact O-N 3.46Å; F20-K24 HydrophobicContact CD2-CG 4.49Å; F20-K24 HydrophobicContact CE1-CG 4.07Å; F20-K24 HydrophobicContact CE2-CD 4.45Å; F20-K24 HydrophobicContact CE2-CG 4.07Å; F20-K24 HydrophobicContact CZ-CD 4.32Å; F20-K24 HydrophobicContact CZ-CG 3.84Å; F20-K24 WeakPolarHBondContact O-CG 3.41Å; F20-K24 PolarHBondContact O-N 2.91Å; F20-T79 HydrophobicContact CE1-CG2 3.92Å; F20-T79 HydrophobicContact CZ-CG2 4.39Å |
| 21 | A | 90.8 | Very high | 89.6 | Confident | 35 Ų | 35 | 73.5 Ų | 73.5 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y17 M18 K24 R25 | Y17-A21 WeakPolarHBondContact O-CB 3.44Å; Y17-A21 PolarHBondContact O-N 2.86Å; M18-A21 PolarHBondContact O-N 3.32Å; A21-K24 PolarHBondContact O-N 3.06Å; A21-R25 WeakPolarHBondContact O-CB 3.33Å; A21-R25 PolarHBondContact O-N 2.83Å |
| 22 | R | 88.3 | Confident | 90.1 | Very high | 90 Ų | 90 | 72.9 Ų | 72.9 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 175.4 | 179.5 | 174.8 | 174.5 | -172 | -0.5 | 112.7 | M18 R19 F20 K24 R25 L26 | M18-R22 WeakPolarHBondContact O-CB 3.39Å; M18-R22 PolarHBondContact O-N 2.9Å; R19-R22 PolarHBondContact O-N 3.44Å; F20-R22 PolarHBondContact O-N 2.82Å; R22-K24 VanDerWaalsContact C-N 3.32Å; R22-K24 PolarHBondContact O-N 2.93Å; R22-R25 PolarHBondContact O-N 3.3Å; R22-L26 HydrophobicContact CG-CD1 4.47Å; R22-L26 WeakPolarHBondContact O-CG 3.32Å; R22-L26 PolarHBondContact O-N 3.15Å |
| 23 | S | 89.2 | Confident | 90.6 | Very high | 79 Ų | 79 | 74.7 Ų | 74.7 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | R19 F20 L26 L27 | R19-S23 WeakPolarHBondContact O-CB 3.36Å; R19-S23 PolarHBondContact O-N 3.22Å; F20-S23 PolarHBondContact O-N 3.46Å; S23-L26 PolarHBondContact O-N 2.93Å; S23-L27 PolarHBondContact O-N 3.28Å |
| 24 | K | 90.8 | Very high | 91 | Very high | 73 Ų | 73 | 74.3 Ų | 74.3 | 32% | 0.317 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 172.9 | -72.5 | -68.7 | -171.5 | 175.1 | 0 | 111.6 | F20 A21 R22 L26 L27 R28 | F20-K24 HydrophobicContact CD2-CG 4.49Å; F20-K24 HydrophobicContact CE1-CG 4.07Å; F20-K24 HydrophobicContact CE2-CD 4.45Å; F20-K24 HydrophobicContact CE2-CG 4.07Å; F20-K24 HydrophobicContact CZ-CD 4.32Å; F20-K24 HydrophobicContact CZ-CG 3.84Å; F20-K24 WeakPolarHBondContact O-CG 3.41Å; F20-K24 PolarHBondContact O-N 2.91Å; A21-K24 PolarHBondContact O-N 3.06Å; R22-K24 VanDerWaalsContact C-N 3.32Å; R22-K24 PolarHBondContact O-N 2.93Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 3.24Å; K24-L27 WeakPolarHBondContact O-CB 3.2Å; K24-L27 PolarHBondContact O-N 2.88Å; K24-L27 VanDerWaalsContact O-N 3.07Å; K24-R28 WeakPolarHBondContact O-CG 3.33Å; K24-R28 PolarHBondContact O-N 3.43Å |
| 25 | R | 91 | Very high | 91.3 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.1 | -45.1 | 176.7 | -173.1 | 172.6 | 63.7 | -150.5 | -4.6 | 112.2 | A21 R22 R28 L29 E118 | A21-R25 WeakPolarHBondContact O-CB 3.33Å; A21-R25 PolarHBondContact O-N 2.83Å; R22-R25 PolarHBondContact O-N 3.3Å; R25-R28 PolarHBondContact O-N 2.85Å; R25-L29 WeakPolarHBondContact O-CG 3.37Å; R25-L29 PolarHBondContact O-N 3.06Å; R25-E118 IonicContact CZ-OE1 2.69Å; R25-E118 IonicContact NH1-OE1 2.85Å; R25-E118 IonicContact NH1-OE2 3.78Å; R25-E118 IonicContact NH2-OE1 3.14Å; R25-E118 PolarHBondContact NH2-OE1 3.45Å; R25-E118 IonicContact NH2-OE2 3.67Å |
| 26 | L | 91.3 | Very high | 91.8 | Very high | 89 Ų | 89 | 74.9 Ų | 74.9 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.1 | -71.7 | 172.1 | 0 | 0 | 0 | 112.9 | R22 S23 K24 R28 K30 | R22-L26 HydrophobicContact CG-CD1 4.47Å; R22-L26 WeakPolarHBondContact O-CG 3.32Å; R22-L26 PolarHBondContact O-N 3.15Å; S23-L26 PolarHBondContact O-N 2.93Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 3.24Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.17Å; L26-K30 WeakPolarHBondContact O-CG 3.3Å; L26-K30 PolarHBondContact O-N 3.48Å; L26-K30 VanDerWaalsContact O-N 3.12Å |
| 27 | L | 90.9 | Very high | 92.1 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.9 | -177.4 | 65.7 | 0 | 0 | 0 | 111.5 | S23 K24 K30 A31 | S23-L27 PolarHBondContact O-N 3.28Å; K24-L27 WeakPolarHBondContact O-CB 3.2Å; K24-L27 PolarHBondContact O-N 2.88Å; K24-L27 VanDerWaalsContact O-N 3.07Å; L27-K30 WeakPolarHBondContact O-CB 3.26Å; L27-K30 PolarHBondContact O-N 2.83Å; L27-A31 PolarHBondContact O-N 2.88Å |
| 28 | R | 91.1 | Very high | 92.3 | Very high | 60 Ų | 60 | 78.5 Ų | 78.5 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 179.4 | -62.7 | -59.5 | -174 | -176.4 | 12.5 | 113.3 | K24 R25 L26 K30 A31 I32 E72 | K24-R28 WeakPolarHBondContact O-CG 3.33Å; K24-R28 PolarHBondContact O-N 3.43Å; R25-R28 PolarHBondContact O-N 2.85Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.17Å; R28-K30 VanDerWaalsContact C-N 3.27Å; R28-K30 PolarHBondContact O-N 2.98Å; R28-A31 WeakPolarHBondContact O-CB 3.5Å; R28-A31 PolarHBondContact O-N 3.04Å; R28-A31 VanDerWaalsContact O-N 3.14Å; R28-I32 WeakPolarHBondContact O-CG1 3.34Å; R28-I32 PolarHBondContact O-N 3.49Å; R28-E72 HydrophobicContact CB-CG 4.46Å; R28-E72 HydrophobicContact CG-CB 4.39Å; R28-E72 HydrophobicContact CG-CG 3.77Å; R28-E72 IonicContact CZ-OE2 2.71Å; R28-E72 VanDerWaalsContact NE-CD 3.28Å; R28-E72 IonicContact NE-OE1 3.27Å; R28-E72 IonicContact NE-OE2 2.66Å; R28-E72 PolarHBondContact NE-OE2 2.83Å; R28-E72 IonicContact NH2-OE2 3.83Å; R28-E72 PolarHBondContact NH2-OE2 3.41Å |
| 29 | L | 93.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 170.9 | -70 | 174.7 | 0 | 0 | 0 | 110.9 | R25 A31 I32 D33 | R25-L29 WeakPolarHBondContact O-CG 3.37Å; R25-L29 PolarHBondContact O-N 3.06Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-A31 PolarHBondContact O-N 3.35Å; L29-I32 PolarHBondContact O-N 2.92Å; L29-D33 VanDerWaalsContact O-CG 3.26Å; L29-D33 PolarHBondContact O-N 3.08Å |
| 30 | K | 95 | Very high | 92.8 | Very high | 139 Ų | 139 | 78.6 Ų | 78.6 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.4 | -39.8 | 174.1 | -73.1 | 179.4 | 178.5 | -173.3 | 0 | 113.3 | L26 L27 R28 I32 D33 S34 | L26-K30 WeakPolarHBondContact O-CG 3.3Å; L26-K30 PolarHBondContact O-N 3.48Å; L26-K30 VanDerWaalsContact O-N 3.12Å; L27-K30 WeakPolarHBondContact O-CB 3.26Å; L27-K30 PolarHBondContact O-N 2.83Å; R28-K30 VanDerWaalsContact C-N 3.27Å; R28-K30 PolarHBondContact O-N 2.98Å; K30-I32 VanDerWaalsContact C-N 3.34Å; K30-D33 PolarHBondContact O-N 3.2Å; K30-S34 WeakPolarHBondContact O-CB 3.22Å; K30-S34 PolarHBondContact O-N 2.84Å; K30-S34 PolarHBondContact O-OG 3.28Å |
| 31 | A | 92.8 | Very high | 92.9 | Very high | 29 Ų | 29 | 80 Ų | 80 | 24% | 0.24 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L27 R28 L29 S34 C35 | L27-A31 PolarHBondContact O-N 2.88Å; R28-A31 WeakPolarHBondContact O-CB 3.5Å; R28-A31 PolarHBondContact O-N 3.04Å; R28-A31 VanDerWaalsContact O-N 3.14Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-A31 PolarHBondContact O-N 3.35Å; A31-S34 WeakPolarHBondContact O-CB 3.45Å; A31-S34 PolarHBondContact O-N 2.73Å; A31-C35 PolarHBondContact O-N 3.44Å; A31-C35 VanDerWaalsContact O-N 3.12Å; A31-C35 PolarHBondContact O-SG 2.79Å |
| 32 | I | 95.8 | Very high | 93 | Very high | 39 Ų | 39 | 82 Ų | 82 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 173.7 | -65.9 | 169.3 | 0 | 0 | 0 | 110 | R28 L29 K30 S34 C35 F36 V65 V69 | R28-I32 WeakPolarHBondContact O-CG1 3.34Å; R28-I32 PolarHBondContact O-N 3.49Å; L29-I32 PolarHBondContact O-N 2.92Å; K30-I32 VanDerWaalsContact C-N 3.34Å; I32-S34 PolarHBondContact O-N 3.2Å; I32-C35 VanDerWaalsContact O-CB 3.32Å; I32-C35 WeakPolarHBondContact O-CB 3.34Å; I32-C35 PolarHBondContact O-N 2.85Å; I32-F36 HydrophobicContact CG2-CD2 4.08Å; I32-F36 HydrophobicContact CG2-CE2 3.73Å; I32-F36 VanDerWaalsContact O-CD2 3.29Å; I32-F36 WeakPolarHBondContact O-CD2 3.42Å; I32-F36 PolarHBondContact O-N 3.31Å; I32-V65 HydrophobicContact CG2-CG1 4.29Å; I32-V69 HydrophobicContact CD1-CG2 4.02Å |
| 33 | D | 95.6 | Very high | 92.9 | Very high | 95 Ų | 95 | 83.3 Ų | 83.3 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -55.1 | -41.3 | 177.8 | -66.1 | -27.8 | 0 | 0 | 0 | 111.2 | L29 K30 C35 F36 E37 | L29-D33 VanDerWaalsContact O-CG 3.26Å; L29-D33 PolarHBondContact O-N 3.08Å; K30-D33 PolarHBondContact O-N 3.2Å; D33-C35 VanDerWaalsContact C-N 3.33Å; D33-C35 PolarHBondContact O-N 3.33Å; D33-F36 PolarHBondContact O-N 2.89Å; D33-F36 VanDerWaalsContact O-N 3.12Å; D33-E37 WeakPolarHBondContact O-CG 3.34Å; D33-E37 PolarHBondContact O-N 3.24Å |
| 34 | S | 95.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 84.2 Ų | 84.2 | 51% | 0.51 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 175.2 | -65 | 0 | 0 | 0 | 0 | 113.3 | K30 A31 I32 F36 E37 E38 | K30-S34 WeakPolarHBondContact O-CB 3.22Å; K30-S34 PolarHBondContact O-N 2.84Å; K30-S34 PolarHBondContact O-OG 3.28Å; A31-S34 WeakPolarHBondContact O-CB 3.45Å; A31-S34 PolarHBondContact O-N 2.73Å; I32-S34 PolarHBondContact O-N 3.2Å; S34-F36 VanDerWaalsContact C-N 3.3Å; S34-F36 PolarHBondContact O-N 3.03Å; S34-E37 PolarHBondContact O-N 3.41Å; S34-E38 VanDerWaalsContact O-CB 3.23Å; S34-E38 WeakPolarHBondContact O-CB 3.45Å; S34-E38 PolarHBondContact O-N 3.03Å |
| 35 | C | 94.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 85.8 Ų | 85.8 | 9% | 0.088 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63 | -38 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | A31 I32 D33 L39 L61 V64 V65 | A31-C35 PolarHBondContact O-N 3.44Å; A31-C35 VanDerWaalsContact O-N 3.12Å; A31-C35 PolarHBondContact O-SG 2.79Å; I32-C35 VanDerWaalsContact O-CB 3.32Å; I32-C35 WeakPolarHBondContact O-CB 3.34Å; I32-C35 PolarHBondContact O-N 2.85Å; D33-C35 VanDerWaalsContact C-N 3.33Å; D33-C35 PolarHBondContact O-N 3.33Å; C35-L39 PolarHBondContact O-N 3.47Å; C35-L39 VanDerWaalsContact O-N 3.15Å; C35-L61 HydrophobicContact CB-CD1 4.34Å; C35-V64 HydrophobicContact CB-CG1 4.25Å; C35-V65 HydrophobicContact CB-CG2 4.23Å |
| 36 | F | 95.6 | Very high | 92.8 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 37% | 0.368 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.8 | -42.4 | 177.2 | -76 | -92.3 | 0 | 0 | 0 | 111.9 | I32 D33 S34 L39 K40 L61 V65 | I32-F36 HydrophobicContact CG2-CD2 4.08Å; I32-F36 HydrophobicContact CG2-CE2 3.73Å; I32-F36 VanDerWaalsContact O-CD2 3.29Å; I32-F36 WeakPolarHBondContact O-CD2 3.42Å; I32-F36 PolarHBondContact O-N 3.31Å; D33-F36 PolarHBondContact O-N 2.89Å; D33-F36 VanDerWaalsContact O-N 3.12Å; S34-F36 VanDerWaalsContact C-N 3.3Å; S34-F36 PolarHBondContact O-N 3.03Å; F36-L39 PolarHBondContact O-N 3.25Å; F36-K40 WeakPolarHBondContact O-CG 3.31Å; F36-K40 PolarHBondContact O-N 2.79Å; F36-L61 HydrophobicContact CD1-CD1 4.27Å; F36-L61 HydrophobicContact CD1-CD2 3.46Å; F36-L61 VanDerWaalsContact CD1-CD2 3.46Å; F36-L61 HydrophobicContact CD1-CG 4.35Å; F36-L61 HydrophobicContact CE1-CD1 4.42Å; F36-L61 HydrophobicContact CE1-CD2 3.28Å; F36-L61 HydrophobicContact CE1-CG 4.12Å; F36-L61 HydrophobicContact CG-CD1 4.33Å; F36-L61 HydrophobicContact CG-CD2 4.33Å; F36-L61 HydrophobicContact CZ-CD2 4.01Å; F36-L61 HydrophobicContact CZ-CG 4.4Å; F36-V65 HydrophobicContact CD2-CG2 4.37Å; F36-V65 HydrophobicContact CE2-CG2 3.68Å; F36-V65 HydrophobicContact CZ-CG2 4.1Å |
| 37 | E | 95.3 | Very high | 92.6 | Very high | 88 Ų | 88 | 90.1 Ų | 90.1 | 41% | 0.411 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 175.7 | -64.2 | -51.4 | 130.1 | 0 | 0 | 111.5 | D33 S34 L39 K40 D41 | D33-E37 WeakPolarHBondContact O-CG 3.34Å; D33-E37 PolarHBondContact O-N 3.24Å; S34-E37 PolarHBondContact O-N 3.41Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 2.93Å; E37-K40 WeakPolarHBondContact O-CB 3.25Å; E37-K40 PolarHBondContact O-N 3.36Å; E37-K40 VanDerWaalsContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 3.51Å; E37-K40 PolarHBondContact OE1-NZ 2.96Å; E37-K40 IonicContact OE2-NZ 3.61Å; E37-D41 WeakPolarHBondContact O-CB 3.49Å; E37-D41 PolarHBondContact O-N 3.31Å |
| 38 | E | 94.5 | Very high | 92.6 | Very high | 132 Ų | 132 | 90.9 Ų | 90.9 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 174.8 | -175.7 | 175.5 | -170.8 | 0 | 0 | 111.7 | S34 S42 | S34-E38 VanDerWaalsContact O-CB 3.23Å; S34-E38 WeakPolarHBondContact O-CB 3.45Å; S34-E38 PolarHBondContact O-N 3.03Å; E38-S42 WeakPolarHBondContact O-CB 3.29Å; E38-S42 PolarHBondContact O-N 2.85Å; E38-S42 PolarHBondContact O-OG 3.35Å |
| 39 | L | 93.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 91 Ų | 91 | 17% | 0.168 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174 | -175.1 | 78.5 | 0 | 0 | 0 | 111.8 | C35 F36 E37 D41 R43 L44 M57 L61 | C35-L39 PolarHBondContact O-N 3.47Å; C35-L39 VanDerWaalsContact O-N 3.15Å; F36-L39 PolarHBondContact O-N 3.25Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 2.93Å; L39-D41 VanDerWaalsContact C-N 3.35Å; L39-R43 HydrophobicContact CD1-CB 4.01Å; L39-R43 HydrophobicContact CD1-CG 4.11Å; L39-R43 PolarHBondContact O-N 2.81Å; L39-L44 PolarHBondContact O-N 3.44Å; L39-L44 VanDerWaalsContact O-N 3.14Å; L39-M57 HydrophobicContact CD1-CB 4.46Å; L39-L61 HydrophobicContact CB-CD1 4.34Å; L39-L61 HydrophobicContact CD2-CB 3.94Å; L39-L61 HydrophobicContact CD2-CD1 4.26Å; L39-L61 HydrophobicContact CD2-CD2 3.59Å; L39-L61 HydrophobicContact CD2-CG 4.13Å |
| 40 | K | 93.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 90.2 Ų | 90.2 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 179 | -71.7 | 172.3 | -170.6 | 169 | 0 | 111.1 | F36 E37 L44 | F36-K40 WeakPolarHBondContact O-CG 3.31Å; F36-K40 PolarHBondContact O-N 2.79Å; E37-K40 WeakPolarHBondContact O-CB 3.25Å; E37-K40 PolarHBondContact O-N 3.36Å; E37-K40 VanDerWaalsContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 3.51Å; E37-K40 PolarHBondContact OE1-NZ 2.96Å; E37-K40 IonicContact OE2-NZ 3.61Å; K40-L44 HydrophobicContact CG-CD2 4.43Å; K40-L44 CarbonylContact O-C 3.48Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 PolarHBondContact O-N 2.79Å |
| 41 | D | 93.4 | Very high | 92.8 | Very high | 125 Ų | 125 | 88.1 Ų | 88.1 | 67% | 0.668 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.6 | -30.5 | -175.8 | -69.7 | -15.8 | 0 | 0 | 0 | 112.9 | E37 L39 V45 | E37-D41 WeakPolarHBondContact O-CB 3.49Å; E37-D41 PolarHBondContact O-N 3.31Å; L39-D41 VanDerWaalsContact C-N 3.35Å; D41-V45 WeakPolarHBondContact O-CG2 3.24Å |
| 42 | S | 91.3 | Very high | 93 | Very high | 77 Ų | 77 | 91.5 Ų | 91.5 | 54% | 0.538 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -99.8 | -35.8 | -174.2 | 66.6 | 0 | 0 | 0 | 0 | 114.8 | E38 | E38-S42 WeakPolarHBondContact O-CB 3.29Å; E38-S42 PolarHBondContact O-N 2.85Å; E38-S42 PolarHBondContact O-OG 3.35Å |
| 43 | R | 87.4 | Confident | 92.9 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -26.1 | -172.9 | -58.9 | -166.2 | 74.6 | -164.6 | -1.1 | 113.6 | L39 V45 Y49 M57 | L39-R43 HydrophobicContact CD1-CB 4.01Å; L39-R43 HydrophobicContact CD1-CG 4.11Å; L39-R43 PolarHBondContact O-N 2.81Å; R43-V45 PolarHBondContact O-N 3.4Å; R43-Y49 PolarHBondContact O-OH 3.23Å; R43-M57 HydrophobicContact CB-CG 4.23Å; R43-M57 HydrophobicContact CB-SD 3.69Å |
| 44 | L | 89.4 | Confident | 92.9 | Very high | 99 Ų | 99 | 92 Ų | 92 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | trans | -95.2 | 51 | 179.5 | -159 | 72.9 | 0 | 0 | 0 | 113 | L39 K40 Y49 | L39-L44 PolarHBondContact O-N 3.44Å; L39-L44 VanDerWaalsContact O-N 3.14Å; K40-L44 HydrophobicContact CG-CD2 4.43Å; K40-L44 CarbonylContact O-C 3.48Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 PolarHBondContact O-N 2.79Å; L44-Y49 WeakPolarHBondContact CA-OH 3.38Å; L44-Y49 HydrophobicContact CD1-CD2 4.26Å; L44-Y49 HydrophobicContact CD1-CE2 3.67Å; L44-Y49 HydrophobicContact CG-CE2 4.45Å | ||
| 45 | V | 90.7 | Very high | 92.9 | Very high | 106 Ų | 106 | 95.3 Ų | 95.3 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | trans | -101.4 | -18.9 | -174.8 | -171.2 | 0 | 0 | 0 | 0 | 113.3 | D41 R43 Y49 | D41-V45 WeakPolarHBondContact O-CG2 3.24Å; R43-V45 PolarHBondContact O-N 3.4Å; V45-Y49 PolarHBondContact N-OH 2.92Å | ||
| 46 | E | 89.1 | Confident | 92.9 | Very high | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -92.3 | 151.4 | -174.5 | -56.9 | -175.8 | -173.6 | 0 | 0 | 112.2 | T48 Y49 | E46-T48 VanDerWaalsContact C-N 3.33Å; E46-T48 PolarHBondContact O-N 2.92Å; E46-Y49 HydrophobicContact CB-CE1 4.21Å; E46-Y49 HydrophobicContact CB-CE2 4.16Å; E46-Y49 PolarHBondContact N-OH 3.34Å; E46-Y49 WeakPolarHBondContact O-CE2 3.3Å |
| 47 | D | 86.4 | Confident | 92.9 | Very high | 170 Ų | 170 | 96 Ų | 96 | 91% | 0.909 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -76.3 | -19.4 | -178.9 | -70.9 | -28.5 | 0 | 0 | 0 | 113.2 | ||
| 48 | T | 91.8 | Very high | 92.9 | Very high | 113 Ų | 113 | 96.5 Ų | 96.5 | 69% | 0.693 | 50% | 0.497 | S | S | * | . | trans | -139.4 | 134.6 | -177 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | E46 | E46-T48 VanDerWaalsContact C-N 3.33Å; E46-T48 PolarHBondContact O-N 2.92Å | ||
| 49 | Y | 93.7 | Very high | 93 | Very high | 64 Ų | 64 | 94.5 Ų | 94.5 | 25% | 0.251 | 49% | 0.49 | S | S | . | . | trans | -128.4 | 147.1 | 176.9 | -69 | -82.7 | 0 | 0 | 0 | 111.8 | R43 L44 V45 E46 E53 V54 M57 | R43-Y49 PolarHBondContact O-OH 3.23Å; L44-Y49 WeakPolarHBondContact CA-OH 3.38Å; L44-Y49 HydrophobicContact CD1-CD2 4.26Å; L44-Y49 HydrophobicContact CD1-CE2 3.67Å; L44-Y49 HydrophobicContact CG-CE2 4.45Å; V45-Y49 PolarHBondContact N-OH 2.92Å; E46-Y49 HydrophobicContact CB-CE1 4.21Å; E46-Y49 HydrophobicContact CB-CE2 4.16Å; E46-Y49 PolarHBondContact N-OH 3.34Å; E46-Y49 WeakPolarHBondContact O-CE2 3.3Å; Y49-E53 HydrophobicContact CD1-CB 4.38Å; Y49-V54 HydrophobicContact CG-CG2 4.25Å; Y49-M57 HydrophobicContact CD1-CE 3.46Å; Y49-M57 VanDerWaalsContact CD1-CE 3.46Å; Y49-M57 HydrophobicContact CE1-CE 3.58Å; Y49-M57 HydrophobicContact CE1-SD 4.18Å; Y49-M57 HydrophobicContact CG-CE 4.01Å | ||
| 50 | T | 95.2 | Very high | 93 | Very high | 75 Ų | 75 | 94 Ų | 94 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | trans | -77.3 | 158.9 | 165.8 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | D52 E53 V54 | T50-D52 VanDerWaalsContact C-N 3.25Å; T50-D52 PolarHBondContact O-N 3.26Å; T50-E53 WeakPolarHBondContact CB-OE2 3.48Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.28Å; T50-E53 PolarHBondContact N-OE2 3.41Å; T50-E53 PolarHBondContact O-N 2.86Å; T50-E53 WeakPolarHBondContact OG1-CG 3.46Å; T50-E53 PolarHBondContact OG1-N 3.47Å; T50-E53 PolarHBondContact OG1-OE2 3.01Å; T50-V54 WeakPolarHBondContact O-CG2 3.41Å; T50-V54 PolarHBondContact O-N 2.83Å; T50-V54 VanDerWaalsContact O-N 3.14Å | ||
| 51 | V | 95.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 90.2 Ų | 90.2 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | V54 R55 | V51-V54 PolarHBondContact O-N 3.44Å; V51-R55 WeakPolarHBondContact O-CG 3.32Å; V51-R55 PolarHBondContact O-N 3.14Å |
| 52 | D | 96.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 90.1 Ų | 90.1 | 54% | 0.535 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.9 | -38.8 | -177.9 | -62.9 | -32.6 | 0 | 0 | 0 | 111.3 | T50 V54 R55 D56 | T50-D52 VanDerWaalsContact C-N 3.25Å; T50-D52 PolarHBondContact O-N 3.26Å; D52-V54 PolarHBondContact O-N 3.4Å; D52-R55 PolarHBondContact O-N 2.98Å; D52-R55 IonicContact OD1-NH1 3.68Å; D52-R55 PolarHBondContact OD1-NH1 3.4Å; D52-D56 PolarHBondContact O-N 3.47Å |
| 53 | E | 94 | Very high | 93.6 | Very high | 88 Ų | 88 | 93.3 Ų | 93.3 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 172.8 | -71.8 | 158.2 | 164.9 | 0 | 0 | 112.1 | Y49 T50 D56 M57 | Y49-E53 HydrophobicContact CD1-CB 4.38Å; T50-E53 WeakPolarHBondContact CB-OE2 3.48Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.28Å; T50-E53 PolarHBondContact N-OE2 3.41Å; T50-E53 PolarHBondContact O-N 2.86Å; T50-E53 WeakPolarHBondContact OG1-CG 3.46Å; T50-E53 PolarHBondContact OG1-N 3.47Å; T50-E53 PolarHBondContact OG1-OE2 3.01Å; E53-D56 PolarHBondContact O-N 2.91Å; E53-M57 WeakPolarHBondContact O-CB 3.28Å; E53-M57 VanDerWaalsContact O-CG 3.29Å; E53-M57 WeakPolarHBondContact O-CG 3.36Å; E53-M57 PolarHBondContact O-N 2.93Å |
| 54 | V | 94.6 | Very high | 94 | Very high | 58 Ų | 58 | 91.3 Ų | 91.3 | 35% | 0.352 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | Y49 T50 V51 D52 M57 L58 | Y49-V54 HydrophobicContact CG-CG2 4.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.41Å; T50-V54 PolarHBondContact O-N 2.83Å; T50-V54 VanDerWaalsContact O-N 3.14Å; V51-V54 PolarHBondContact O-N 3.44Å; D52-V54 PolarHBondContact O-N 3.4Å; V54-M57 HydrophobicContact CG2-CE 4.1Å; V54-M57 PolarHBondContact O-N 3.11Å; V54-L58 HydrophobicContact CG1-CD1 4.05Å; V54-L58 HydrophobicContact CG1-CG 4.42Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.49Å; V54-L58 PolarHBondContact O-N 2.81Å |
| 55 | R | 95.5 | Very high | 94.3 | Very high | 141 Ų | 141 | 87.9 Ų | 87.9 | 53% | 0.532 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 174.9 | -76.4 | 172.6 | 178.3 | 156.6 | -2.6 | 111.5 | V51 D52 M57 L58 D59 | V51-R55 WeakPolarHBondContact O-CG 3.32Å; V51-R55 PolarHBondContact O-N 3.14Å; D52-R55 PolarHBondContact O-N 2.98Å; D52-R55 IonicContact OD1-NH1 3.68Å; D52-R55 PolarHBondContact OD1-NH1 3.4Å; R55-M57 VanDerWaalsContact C-N 3.27Å; R55-M57 PolarHBondContact O-N 2.93Å; R55-L58 PolarHBondContact O-N 3.16Å; R55-L58 VanDerWaalsContact O-N 3.12Å; R55-D59 WeakPolarHBondContact O-CB 3.35Å; R55-D59 PolarHBondContact O-N 3.35Å |
| 56 | D | 95.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 91 Ų | 91 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -34.1 | 178.9 | -74.8 | -4.5 | 0 | 0 | 0 | 112.3 | D52 E53 G60 | D52-D56 PolarHBondContact O-N 3.47Å; E53-D56 PolarHBondContact O-N 2.91Å; D56-G60 PolarHBondContact O-N 3.41Å; D56-G60 VanDerWaalsContact O-N 3.09Å |
| 57 | M | 94.5 | Very high | 94.9 | Very high | 12 Ų | 12 | 86.5 Ų | 86.5 | 6% | 0.059 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 172.6 | -76 | -171.9 | -70.8 | 0 | 0 | 112.3 | L39 R43 Y49 E53 V54 R55 L61 | L39-M57 HydrophobicContact CD1-CB 4.46Å; R43-M57 HydrophobicContact CB-CG 4.23Å; R43-M57 HydrophobicContact CB-SD 3.69Å; Y49-M57 HydrophobicContact CD1-CE 3.46Å; Y49-M57 VanDerWaalsContact CD1-CE 3.46Å; Y49-M57 HydrophobicContact CE1-CE 3.58Å; Y49-M57 HydrophobicContact CE1-SD 4.18Å; Y49-M57 HydrophobicContact CG-CE 4.01Å; E53-M57 WeakPolarHBondContact O-CB 3.28Å; E53-M57 VanDerWaalsContact O-CG 3.29Å; E53-M57 WeakPolarHBondContact O-CG 3.36Å; E53-M57 PolarHBondContact O-N 2.93Å; V54-M57 HydrophobicContact CG2-CE 4.1Å; V54-M57 PolarHBondContact O-N 3.11Å; R55-M57 VanDerWaalsContact C-N 3.27Å; R55-M57 PolarHBondContact O-N 2.93Å; M57-L61 WeakPolarHBondContact O-CB 3.39Å; M57-L61 PolarHBondContact O-N 3.49Å |
| 58 | L | 95.3 | Very high | 95.3 | Very high | 100 Ų | 100 | 81.4 Ų | 81.4 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 179 | -70.5 | 174.5 | 0 | 0 | 0 | 112.2 | V54 R55 L61 Q62 | V54-L58 HydrophobicContact CG1-CD1 4.05Å; V54-L58 HydrophobicContact CG1-CG 4.42Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.49Å; V54-L58 PolarHBondContact O-N 2.81Å; R55-L58 PolarHBondContact O-N 3.16Å; R55-L58 VanDerWaalsContact O-N 3.12Å; L58-L61 PolarHBondContact O-N 3.2Å; L58-Q62 WeakPolarHBondContact O-CB 3.37Å; L58-Q62 PolarHBondContact O-N 2.98Å |
| 59 | D | 96.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 78.9 Ų | 78.9 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.6 | -73 | -15.1 | 0 | 0 | 0 | 110.9 | R55 Q62 M63 | R55-D59 WeakPolarHBondContact O-CB 3.35Å; R55-D59 PolarHBondContact O-N 3.35Å; D59-Q62 PolarHBondContact O-N 3.32Å; D59-M63 WeakPolarHBondContact O-CG 3.3Å; D59-M63 PolarHBondContact O-N 3.45Å |
| 60 | G | 94.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 81 Ų | 81 | 24% | 0.237 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D56 Q62 M63 V64 | D56-G60 PolarHBondContact O-N 3.41Å; D56-G60 VanDerWaalsContact O-N 3.09Å; G60-Q62 VanDerWaalsContact C-N 3.35Å; G60-Q62 PolarHBondContact O-N 3.16Å; G60-M63 PolarHBondContact O-N 2.86Å; G60-V64 WeakPolarHBondContact O-CG2 3.43Å; G60-V64 PolarHBondContact O-N 2.91Å; G60-V64 VanDerWaalsContact O-N 3.13Å |
| 61 | L | 95.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.084 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.3 | -179.5 | 63.9 | 0 | 0 | 0 | 111.9 | C35 F36 L39 M57 L58 M63 V64 V65 | C35-L61 HydrophobicContact CB-CD1 4.34Å; F36-L61 HydrophobicContact CD1-CD1 4.27Å; F36-L61 HydrophobicContact CD1-CD2 3.46Å; F36-L61 VanDerWaalsContact CD1-CD2 3.46Å; F36-L61 HydrophobicContact CD1-CG 4.35Å; F36-L61 HydrophobicContact CE1-CD1 4.42Å; F36-L61 HydrophobicContact CE1-CD2 3.28Å; F36-L61 HydrophobicContact CE1-CG 4.12Å; F36-L61 HydrophobicContact CG-CD1 4.33Å; F36-L61 HydrophobicContact CG-CD2 4.33Å; F36-L61 HydrophobicContact CZ-CD2 4.01Å; F36-L61 HydrophobicContact CZ-CG 4.4Å; L39-L61 HydrophobicContact CB-CD1 4.34Å; L39-L61 HydrophobicContact CD2-CB 3.94Å; L39-L61 HydrophobicContact CD2-CD1 4.26Å; L39-L61 HydrophobicContact CD2-CD2 3.59Å; L39-L61 HydrophobicContact CD2-CG 4.13Å; M57-L61 WeakPolarHBondContact O-CB 3.39Å; M57-L61 PolarHBondContact O-N 3.49Å; L58-L61 PolarHBondContact O-N 3.2Å; L61-M63 VanDerWaalsContact C-N 3.31Å; L61-M63 PolarHBondContact O-N 2.83Å; L61-V64 PolarHBondContact O-N 3.25Å; L61-V65 HydrophobicContact CD1-CG2 3.91Å; L61-V65 HydrophobicContact CG-CG2 4.22Å; L61-V65 WeakPolarHBondContact O-CB 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.4Å; L61-V65 PolarHBondContact O-N 3.47Å |
| 62 | Q | 96.8 | Very high | 95.4 | Very high | 122 Ų | 122 | 80.1 Ų | 80.1 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.3 | -43.2 | 177.3 | -178.3 | -178.2 | -5.3 | 0 | 0 | 111.2 | L58 D59 G60 R66 | L58-Q62 WeakPolarHBondContact O-CB 3.37Å; L58-Q62 PolarHBondContact O-N 2.98Å; D59-Q62 PolarHBondContact O-N 3.32Å; G60-Q62 VanDerWaalsContact C-N 3.35Å; G60-Q62 PolarHBondContact O-N 3.16Å; Q62-R66 WeakPolarHBondContact O-CB 3.5Å; Q62-R66 PolarHBondContact O-N 2.88Å |
| 63 | M | 96.5 | Very high | 95.2 | Very high | 144 Ų | 144 | 81 Ų | 81 | 71% | 0.709 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 177.2 | -73.1 | -156.3 | -64 | 0 | 0 | 112.1 | D59 G60 L61 R66 G67 | D59-M63 WeakPolarHBondContact O-CG 3.3Å; D59-M63 PolarHBondContact O-N 3.45Å; G60-M63 PolarHBondContact O-N 2.86Å; L61-M63 VanDerWaalsContact C-N 3.31Å; L61-M63 PolarHBondContact O-N 2.83Å; M63-R66 PolarHBondContact O-N 2.8Å; M63-G67 PolarHBondContact O-N 2.93Å |
| 64 | V | 95.8 | Very high | 95.2 | Very high | 75 Ų | 75 | 80.6 Ų | 80.6 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -50.7 | 180 | 175.9 | 0 | 0 | 0 | 0 | 111 | C35 G60 L61 R66 G67 E68 | C35-V64 HydrophobicContact CB-CG1 4.25Å; G60-V64 WeakPolarHBondContact O-CG2 3.43Å; G60-V64 PolarHBondContact O-N 2.91Å; G60-V64 VanDerWaalsContact O-N 3.13Å; L61-V64 PolarHBondContact O-N 3.25Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 3.44Å; V64-G67 PolarHBondContact O-N 3.44Å; V64-G67 VanDerWaalsContact O-N 3.11Å; V64-E68 PolarHBondContact O-N 2.94Å |
| 65 | V | 96.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 80.2 Ų | 80.2 | 16% | 0.164 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | I32 C35 F36 L61 G67 E68 V69 | I32-V65 HydrophobicContact CG2-CG1 4.29Å; C35-V65 HydrophobicContact CB-CG2 4.23Å; F36-V65 HydrophobicContact CD2-CG2 4.37Å; F36-V65 HydrophobicContact CE2-CG2 3.68Å; F36-V65 HydrophobicContact CZ-CG2 4.1Å; L61-V65 HydrophobicContact CD1-CG2 3.91Å; L61-V65 HydrophobicContact CG-CG2 4.22Å; L61-V65 WeakPolarHBondContact O-CB 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.4Å; L61-V65 PolarHBondContact O-N 3.47Å; V65-G67 VanDerWaalsContact C-N 3.32Å; V65-G67 PolarHBondContact O-N 3.17Å; V65-E68 PolarHBondContact O-N 2.85Å; V65-V69 HydrophobicContact CG1-CG2 4.43Å; V65-V69 WeakPolarHBondContact O-CG2 3.37Å; V65-V69 PolarHBondContact O-N 2.95Å |
| 66 | R | 96.9 | Very high | 95 | Very high | 172 Ų | 172 | 76.2 Ų | 76.2 | 65% | 0.649 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 175.2 | -176.8 | 178.6 | 178.6 | 177.3 | 0.9 | 111.4 | Q62 M63 V64 V69 E70 | Q62-R66 WeakPolarHBondContact O-CB 3.5Å; Q62-R66 PolarHBondContact O-N 2.88Å; M63-R66 PolarHBondContact O-N 2.8Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 3.44Å; R66-V69 PolarHBondContact O-N 2.98Å; R66-E70 VanDerWaalsContact O-CB 3.31Å; R66-E70 WeakPolarHBondContact O-CB 3.5Å; R66-E70 PolarHBondContact O-N 3.23Å |
| 67 | G | 95.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 74 Ų | 74 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M63 V64 V65 E70 M71 | M63-G67 PolarHBondContact O-N 2.93Å; V64-G67 PolarHBondContact O-N 3.44Å; V64-G67 VanDerWaalsContact O-N 3.11Å; V65-G67 VanDerWaalsContact C-N 3.32Å; V65-G67 PolarHBondContact O-N 3.17Å; G67-E70 PolarHBondContact O-N 2.99Å; G67-M71 VanDerWaalsContact O-CB 3.31Å; G67-M71 WeakPolarHBondContact O-CB 3.4Å; G67-M71 PolarHBondContact O-N 2.94Å |
| 68 | E | 94.2 | Very high | 95 | Very high | 62 Ų | 62 | 78.9 Ų | 78.9 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.5 | -75.2 | -61.7 | 146.3 | 0 | 0 | 112.4 | V64 V65 E72 | V64-E68 PolarHBondContact O-N 2.94Å; V65-E68 PolarHBondContact O-N 2.85Å; E68-E72 PolarHBondContact O-N 3.4Å; E68-E72 VanDerWaalsContact O-N 3.09Å |
| 69 | V | 95.4 | Very high | 95 | Very high | 61 Ų | 61 | 75.8 Ų | 75.8 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I32 V65 R66 M71 E72 L73 | I32-V69 HydrophobicContact CD1-CG2 4.02Å; V65-V69 HydrophobicContact CG1-CG2 4.43Å; V65-V69 WeakPolarHBondContact O-CG2 3.37Å; V65-V69 PolarHBondContact O-N 2.95Å; R66-V69 PolarHBondContact O-N 2.98Å; V69-M71 PolarHBondContact O-N 2.9Å; V69-E72 PolarHBondContact O-N 2.82Å; V69-L73 HydrophobicContact CG1-CD1 4.08Å; V69-L73 HydrophobicContact CG1-CG 4.41Å; V69-L73 WeakPolarHBondContact O-CG 3.46Å; V69-L73 PolarHBondContact O-N 3.47Å |
| 70 | E | 95.8 | Very high | 94.8 | Very high | 108 Ų | 108 | 74.3 Ų | 74.3 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.9 | -178.5 | 170 | -173 | 0 | 0 | 111.5 | R66 G67 E72 L73 I74 | R66-E70 VanDerWaalsContact O-CB 3.31Å; R66-E70 WeakPolarHBondContact O-CB 3.5Å; R66-E70 PolarHBondContact O-N 3.23Å; G67-E70 PolarHBondContact O-N 2.99Å; E70-E72 VanDerWaalsContact C-N 3.27Å; E70-E72 PolarHBondContact O-N 3.37Å; E70-L73 PolarHBondContact O-N 2.91Å; E70-I74 HydrophobicContact CG-CD1 4.02Å; E70-I74 WeakPolarHBondContact O-CG1 3.29Å; E70-I74 PolarHBondContact O-N 2.93Å |
| 71 | M | 93.1 | Very high | 94.8 | Very high | 120 Ų | 120 | 77.7 Ų | 77.7 | 59% | 0.591 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.9 | -40 | 176.6 | -171.2 | -179.1 | -172.6 | 0 | 0 | 111.7 | G67 V69 N75 | G67-M71 VanDerWaalsContact O-CB 3.31Å; G67-M71 WeakPolarHBondContact O-CB 3.4Å; G67-M71 PolarHBondContact O-N 2.94Å; V69-M71 PolarHBondContact O-N 2.9Å; M71-N75 VanDerWaalsContact O-CB 3.26Å; M71-N75 WeakPolarHBondContact O-CB 3.28Å; M71-N75 PolarHBondContact O-N 2.91Å |
| 72 | E | 92.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 81.4 Ų | 81.4 | 15% | 0.145 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.1 | -38.3 | 177.9 | 179.1 | 60.2 | 177.1 | 0 | 0 | 113.4 | R28 E68 V69 E70 I74 N75 T76 | R28-E72 HydrophobicContact CB-CG 4.46Å; R28-E72 HydrophobicContact CG-CB 4.39Å; R28-E72 HydrophobicContact CG-CG 3.77Å; R28-E72 IonicContact CZ-OE2 2.71Å; R28-E72 VanDerWaalsContact NE-CD 3.28Å; R28-E72 IonicContact NE-OE1 3.27Å; R28-E72 IonicContact NE-OE2 2.66Å; R28-E72 PolarHBondContact NE-OE2 2.83Å; R28-E72 IonicContact NH2-OE2 3.83Å; R28-E72 PolarHBondContact NH2-OE2 3.41Å; E68-E72 PolarHBondContact O-N 3.4Å; E68-E72 VanDerWaalsContact O-N 3.09Å; V69-E72 PolarHBondContact O-N 2.82Å; E70-E72 VanDerWaalsContact C-N 3.27Å; E70-E72 PolarHBondContact O-N 3.37Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 2.9Å; E72-N75 PolarHBondContact O-N 3.16Å; E72-N75 PolarHBondContact OE2-ND2 3.33Å; E72-N75 VanDerWaalsContact OE2-ND2 3.16Å; E72-T76 WeakPolarHBondContact O-CB 3.46Å; E72-T76 PolarHBondContact O-N 2.88Å; E72-T76 PolarHBondContact O-OG1 2.89Å |
| 73 | L | 93.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 78.3 Ų | 78.3 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 175.6 | -70.9 | 174.3 | 0 | 0 | 0 | 110.9 | V69 E70 T76 A77 | V69-L73 HydrophobicContact CG1-CD1 4.08Å; V69-L73 HydrophobicContact CG1-CG 4.41Å; V69-L73 WeakPolarHBondContact O-CG 3.46Å; V69-L73 PolarHBondContact O-N 3.47Å; E70-L73 PolarHBondContact O-N 2.91Å; L73-T76 WeakPolarHBondContact O-CB 3.49Å; L73-T76 PolarHBondContact O-N 3.25Å; L73-A77 PolarHBondContact O-N 3.31Å; L73-A77 VanDerWaalsContact O-N 3.11Å |
| 74 | I | 94.2 | Very high | 94.4 | Very high | 80 Ų | 80 | 75 Ų | 75 | 41% | 0.41 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 173.9 | -68.5 | 168.2 | 0 | 0 | 0 | 110.5 | E70 E72 T76 A77 H78 | E70-I74 HydrophobicContact CG-CD1 4.02Å; E70-I74 WeakPolarHBondContact O-CG1 3.29Å; E70-I74 PolarHBondContact O-N 2.93Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 2.9Å; I74-T76 VanDerWaalsContact C-N 3.28Å; I74-T76 PolarHBondContact O-N 2.77Å; I74-A77 PolarHBondContact O-N 3.37Å; I74-H78 WeakPolarHBondContact CG2-CE1 3.4Å; I74-H78 PolarHBondContact O-N 2.8Å |
| 75 | N | 93.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 79.6 Ų | 79.6 | 27% | 0.267 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 179.6 | -178.1 | 54.6 | 0 | 0 | 0 | 112.5 | M71 E72 H78 T79 | M71-N75 VanDerWaalsContact O-CB 3.26Å; M71-N75 WeakPolarHBondContact O-CB 3.28Å; M71-N75 PolarHBondContact O-N 2.91Å; E72-N75 PolarHBondContact O-N 3.16Å; E72-N75 PolarHBondContact OE2-ND2 3.33Å; E72-N75 VanDerWaalsContact OE2-ND2 3.16Å; N75-H78 PolarHBondContact O-N 2.91Å; N75-T79 VanDerWaalsContact O-CB 3.31Å; N75-T79 WeakPolarHBondContact O-CB 3.24Å; N75-T79 PolarHBondContact O-N 2.89Å; N75-T79 PolarHBondContact O-OG1 2.9Å |
| 76 | T | 92.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 83.8 Ų | 83.8 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 173.8 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | E72 L73 I74 H78 T79 N80 | E72-T76 WeakPolarHBondContact O-CB 3.46Å; E72-T76 PolarHBondContact O-N 2.88Å; E72-T76 PolarHBondContact O-OG1 2.89Å; L73-T76 WeakPolarHBondContact O-CB 3.49Å; L73-T76 PolarHBondContact O-N 3.25Å; I74-T76 VanDerWaalsContact C-N 3.28Å; I74-T76 PolarHBondContact O-N 2.77Å; T76-H78 PolarHBondContact O-N 2.88Å; T76-T79 PolarHBondContact O-N 2.95Å; T76-N80 VanDerWaalsContact O-CG 3.23Å; T76-N80 PolarHBondContact O-N 2.9Å; T76-N80 PolarHBondContact O-OD1 3.29Å |
| 77 | A | 93.2 | Very high | 93.6 | Very high | 52 Ų | 52 | 79.5 Ų | 79.5 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L73 I74 T79 N80 V81 | L73-A77 PolarHBondContact O-N 3.31Å; L73-A77 VanDerWaalsContact O-N 3.11Å; I74-A77 PolarHBondContact O-N 3.37Å; A77-T79 VanDerWaalsContact C-N 3.35Å; A77-T79 PolarHBondContact O-N 3.47Å; A77-N80 PolarHBondContact O-N 2.83Å; A77-V81 WeakPolarHBondContact O-CG2 3.28Å; A77-V81 PolarHBondContact O-N 3.44Å |
| 78 | H | 96.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 81.4 Ų | 81.4 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 176.7 | -67.3 | 166 | 0 | 0 | 0 | 112.6 | I74 N75 T76 N80 V81 L82 | I74-H78 WeakPolarHBondContact CG2-CE1 3.4Å; I74-H78 PolarHBondContact O-N 2.8Å; N75-H78 PolarHBondContact O-N 2.91Å; T76-H78 PolarHBondContact O-N 2.88Å; H78-N80 VanDerWaalsContact C-N 3.32Å; H78-N80 PolarHBondContact O-N 3.26Å; H78-V81 PolarHBondContact O-N 2.74Å; H78-L82 WeakPolarHBondContact O-CG 3.33Å; H78-L82 PolarHBondContact O-N 3.29Å |
| 79 | T | 94.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 80.9 Ų | 80.9 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 177.9 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | F20 N75 T76 A77 L82 L83 | F20-T79 HydrophobicContact CE1-CG2 3.92Å; F20-T79 HydrophobicContact CZ-CG2 4.39Å; N75-T79 VanDerWaalsContact O-CB 3.31Å; N75-T79 WeakPolarHBondContact O-CB 3.24Å; N75-T79 PolarHBondContact O-N 2.89Å; N75-T79 PolarHBondContact O-OG1 2.9Å; T76-T79 PolarHBondContact O-N 2.95Å; A77-T79 VanDerWaalsContact C-N 3.35Å; A77-T79 PolarHBondContact O-N 3.47Å; T79-L82 PolarHBondContact O-N 3.5Å; T79-L83 PolarHBondContact O-N 3.5Å |
| 80 | N | 92.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 82.6 Ų | 82.6 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 178 | -67.6 | -7.5 | 0 | 0 | 0 | 112 | Y17 T76 A77 H78 L82 L83 L84 | Y17-N80 PolarHBondContact OH-OD1 2.93Å; T76-N80 VanDerWaalsContact O-CG 3.23Å; T76-N80 PolarHBondContact O-N 2.9Å; T76-N80 PolarHBondContact O-OD1 3.29Å; A77-N80 PolarHBondContact O-N 2.83Å; H78-N80 VanDerWaalsContact C-N 3.32Å; H78-N80 PolarHBondContact O-N 3.26Å; N80-L82 VanDerWaalsContact C-N 3.3Å; N80-L82 PolarHBondContact O-N 3.3Å; N80-L83 WeakPolarHBondContact O-CB 3.39Å; N80-L83 PolarHBondContact O-N 2.84Å; N80-L84 WeakPolarHBondContact O-CG 3.33Å; N80-L84 PolarHBondContact O-N 3.37Å |
| 81 | V | 94.9 | Very high | 92.4 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 173 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | A77 H78 L84 R85 | A77-V81 WeakPolarHBondContact O-CG2 3.28Å; A77-V81 PolarHBondContact O-N 3.44Å; H78-V81 PolarHBondContact O-N 2.74Å; V81-L84 PolarHBondContact O-N 2.94Å; V81-R85 WeakPolarHBondContact O-CB 3.5Å; V81-R85 PolarHBondContact O-N 3.22Å |
| 82 | L | 94.1 | Very high | 91.9 | Very high | 94 Ų | 94 | 78.4 Ų | 78.4 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.1 | -71 | 175.6 | 0 | 0 | 0 | 112.2 | H78 T79 N80 R85 Q86 | H78-L82 WeakPolarHBondContact O-CG 3.33Å; H78-L82 PolarHBondContact O-N 3.29Å; T79-L82 PolarHBondContact O-N 3.5Å; N80-L82 VanDerWaalsContact C-N 3.3Å; N80-L82 PolarHBondContact O-N 3.3Å; L82-R85 PolarHBondContact O-N 3.46Å; L82-Q86 WeakPolarHBondContact O-CG 3.46Å; L82-Q86 PolarHBondContact O-N 3.28Å |
| 83 | L | 93.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 84.6 Ų | 84.6 | 30% | 0.304 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 173.8 | 176.8 | 62.2 | 0 | 0 | 0 | 111 | Y17 T79 N80 R85 Q86 L87 | Y17-L83 HydrophobicContact CD2-CD2 3.88Å; Y17-L83 HydrophobicContact CE2-CD2 3.74Å; Y17-L83 HydrophobicContact CG-CD2 4.39Å; T79-L83 PolarHBondContact O-N 3.5Å; N80-L83 WeakPolarHBondContact O-CB 3.39Å; N80-L83 PolarHBondContact O-N 2.84Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.39Å; L83-Q86 WeakPolarHBondContact O-CB 3.49Å; L83-Q86 PolarHBondContact O-N 2.88Å; L83-Q86 VanDerWaalsContact O-N 3.1Å; L83-L87 HydrophobicContact CG-CD1 4.38Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 2.93Å |
| 84 | L | 92.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 84.9 Ų | 84.9 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.5 | -71.5 | 175.2 | 0 | 0 | 0 | 111.8 | N80 V81 Q86 L87 F88 | N80-L84 WeakPolarHBondContact O-CG 3.33Å; N80-L84 PolarHBondContact O-N 3.37Å; V81-L84 PolarHBondContact O-N 2.94Å; L84-Q86 VanDerWaalsContact C-N 3.31Å; L84-Q86 PolarHBondContact O-N 3.13Å; L84-L87 PolarHBondContact O-N 2.65Å; L84-F88 HydrophobicContact CB-CE2 4.16Å; L84-F88 HydrophobicContact CD2-CZ 4.28Å; L84-F88 WeakPolarHBondContact O-CB 3.34Å; L84-F88 WeakPolarHBondContact O-CD2 3.28Å; L84-F88 VanDerWaalsContact O-CG 3.28Å; L84-F88 WeakPolarHBondContact O-CG 3.44Å; L84-F88 PolarHBondContact O-N 2.76Å |
| 85 | R | 93.4 | Very high | 90.7 | Very high | 171 Ų | 171 | 91.3 Ų | 91.3 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57.2 | -44.5 | 174.4 | 179.7 | -173.8 | 170.7 | -170 | -0.9 | 111.4 | V81 L82 L83 S89 | V81-R85 WeakPolarHBondContact O-CB 3.5Å; V81-R85 PolarHBondContact O-N 3.22Å; L82-R85 PolarHBondContact O-N 3.46Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.39Å; R85-S89 VanDerWaalsContact O-CB 3.27Å; R85-S89 WeakPolarHBondContact O-CB 3.34Å; R85-S89 PolarHBondContact O-N 2.82Å; R85-S89 PolarHBondContact O-OG 2.79Å |
| 86 | Q | 90.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 93.8 Ų | 93.8 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 178.3 | -72.2 | 175.4 | 3.9 | 0 | 0 | 112 | L82 L83 L84 Q90 | L82-Q86 WeakPolarHBondContact O-CG 3.46Å; L82-Q86 PolarHBondContact O-N 3.28Å; L83-Q86 WeakPolarHBondContact O-CB 3.49Å; L83-Q86 PolarHBondContact O-N 2.88Å; L83-Q86 VanDerWaalsContact O-N 3.1Å; L84-Q86 VanDerWaalsContact C-N 3.31Å; L84-Q86 PolarHBondContact O-N 3.13Å; Q86-Q90 WeakPolarHBondContact O-CG 3.29Å; Q86-Q90 PolarHBondContact O-N 3.44Å; Q86-Q90 PolarHBondContact O-NE2 3.4Å |
| 87 | L | 90.9 | Very high | 90.1 | Very high | 82 Ų | 82 | 102.6 Ų | 102.6 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 177.1 | -66.2 | 175.1 | 0 | 0 | 0 | 111.8 | L83 L84 Q90 A91 | L83-L87 HydrophobicContact CG-CD1 4.38Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 2.93Å; L84-L87 PolarHBondContact O-N 2.65Å; L87-Q90 WeakPolarHBondContact O-CB 3.41Å; L87-Q90 PolarHBondContact O-N 2.96Å; L87-Q90 VanDerWaalsContact O-N 3.15Å; L87-A91 PolarHBondContact O-N 3.4Å |
| 88 | F | 91 | Very high | 89.8 | Confident | 75 Ų | 75 | 104.7 Ų | 104.7 | 33% | 0.329 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 178.2 | -63.4 | -23.6 | 0 | 0 | 0 | 112.2 | L84 Q90 A91 E92 L98 | L84-F88 HydrophobicContact CB-CE2 4.16Å; L84-F88 HydrophobicContact CD2-CZ 4.28Å; L84-F88 WeakPolarHBondContact O-CB 3.34Å; L84-F88 WeakPolarHBondContact O-CD2 3.28Å; L84-F88 VanDerWaalsContact O-CG 3.28Å; L84-F88 WeakPolarHBondContact O-CG 3.44Å; L84-F88 PolarHBondContact O-N 2.76Å; F88-Q90 PolarHBondContact O-N 3.45Å; F88-A91 PolarHBondContact O-N 2.92Å; F88-A91 VanDerWaalsContact O-N 3.15Å; F88-E92 WeakPolarHBondContact O-CB 3.4Å; F88-E92 VanDerWaalsContact O-CG 3.3Å; F88-E92 WeakPolarHBondContact O-CG 3.28Å; F88-E92 PolarHBondContact O-N 2.86Å; F88-L98 HydrophobicContact CD1-CB 4.19Å; F88-L98 HydrophobicContact CD1-CD1 4.12Å; F88-L98 HydrophobicContact CE1-CB 3.95Å; F88-L98 HydrophobicContact CE1-CD1 4.37Å |
| 89 | S | 88.1 | Confident | 89.3 | Confident | 51 Ų | 51 | 108.3 Ų | 108.3 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -28.7 | 173.8 | -68.5 | 0 | 0 | 0 | 0 | 113 | R85 K93 | R85-S89 VanDerWaalsContact O-CB 3.27Å; R85-S89 WeakPolarHBondContact O-CB 3.34Å; R85-S89 PolarHBondContact O-N 2.82Å; R85-S89 PolarHBondContact O-OG 2.79Å; S89-K93 WeakPolarHBondContact O-CG 3.24Å |
| 90 | Q | 87.6 | Confident | 88.9 | Confident | 98 Ų | 98 | 110.6 Ų | 110.6 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.8 | -47.3 | 172.2 | -70.9 | 174.4 | 57.3 | 0 | 0 | 110.7 | Q86 L87 F88 E92 K93 F94 | Q86-Q90 WeakPolarHBondContact O-CG 3.29Å; Q86-Q90 PolarHBondContact O-N 3.44Å; Q86-Q90 PolarHBondContact O-NE2 3.4Å; L87-Q90 WeakPolarHBondContact O-CB 3.41Å; L87-Q90 PolarHBondContact O-N 2.96Å; L87-Q90 VanDerWaalsContact O-N 3.15Å; F88-Q90 PolarHBondContact O-N 3.45Å; Q90-E92 VanDerWaalsContact C-N 3.35Å; Q90-E92 PolarHBondContact O-N 3.46Å; Q90-K93 WeakPolarHBondContact O-CB 3.38Å; Q90-K93 PolarHBondContact O-N 3.3Å; Q90-F94 VanDerWaalsContact O-CD2 3.22Å; Q90-F94 WeakPolarHBondContact O-CD2 3.44Å |
| 91 | A | 87.5 | Confident | 88.5 | Confident | 9 Ų | 9 | 112.1 Ų | 112.1 | 7% | 0.074 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L87 F88 K93 F94 Y95 L96 L98 | L87-A91 PolarHBondContact O-N 3.4Å; F88-A91 PolarHBondContact O-N 2.92Å; F88-A91 VanDerWaalsContact O-N 3.15Å; A91-K93 VanDerWaalsContact C-N 3.32Å; A91-K93 PolarHBondContact O-N 3.5Å; A91-F94 CarbonylContact O-C 3.37Å; A91-F94 WeakPolarHBondContact O-CA 3.35Å; A91-F94 PolarHBondContact O-N 2.86Å; A91-Y95 PolarHBondContact O-N 3.35Å; A91-Y95 VanDerWaalsContact O-N 3.14Å; A91-L96 HydrophobicContact CB-CB 4.14Å; A91-L96 PolarHBondContact O-N 3.31Å; A91-L98 HydrophobicContact CB-CD1 3.52Å; A91-L98 HydrophobicContact CB-CG 3.78Å |
| 92 | E | 83.8 | Confident | 88.1 | Confident | 131 Ų | 131 | 112.5 Ų | 112.5 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.5 | -36.6 | 178.2 | -76.6 | 175.2 | 179.1 | 0 | 0 | 112.6 | F88 Q90 F94 Y95 | F88-E92 WeakPolarHBondContact O-CB 3.4Å; F88-E92 VanDerWaalsContact O-CG 3.3Å; F88-E92 WeakPolarHBondContact O-CG 3.28Å; F88-E92 PolarHBondContact O-N 2.86Å; Q90-E92 VanDerWaalsContact C-N 3.35Å; Q90-E92 PolarHBondContact O-N 3.46Å; E92-F94 PolarHBondContact O-N 3.36Å; E92-Y95 PolarHBondContact O-N 2.87Å |
| 93 | K | 86.6 | Confident | 87.6 | Confident | 161 Ų | 161 | 112.5 Ų | 112.5 | 70% | 0.7 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -26.6 | 174.9 | -71.5 | 174.2 | -178.1 | -177.1 | 0 | 112.7 | S89 Q90 A91 | S89-K93 WeakPolarHBondContact O-CG 3.24Å; Q90-K93 WeakPolarHBondContact O-CB 3.38Å; Q90-K93 PolarHBondContact O-N 3.3Å; A91-K93 VanDerWaalsContact C-N 3.32Å; A91-K93 PolarHBondContact O-N 3.5Å |
| 94 | F | 83.9 | Confident | 87.2 | Confident | 123 Ų | 123 | 115.2 Ų | 115.2 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | 12.3 | 175.9 | -62.9 | -76.7 | 0 | 0 | 0 | 112.4 | Q90 A91 E92 L96 V145 | Q90-F94 VanDerWaalsContact O-CD2 3.22Å; Q90-F94 WeakPolarHBondContact O-CD2 3.44Å; A91-F94 CarbonylContact O-C 3.37Å; A91-F94 WeakPolarHBondContact O-CA 3.35Å; A91-F94 PolarHBondContact O-N 2.86Å; E92-F94 PolarHBondContact O-N 3.36Å; F94-L96 HydrophobicContact CB-CD1 4.23Å; F94-L96 HydrophobicContact CB-CG 4.16Å; F94-L96 PolarHBondContact O-N 2.88Å; F94-V145 HydrophobicContact CE1-CG1 4.49Å; F94-V145 HydrophobicContact CE1-CG2 4.19Å |
| 95 | Y | 84 | Confident | 86.8 | Confident | 214 Ų | 214 | 117.6 Ų | 117.6 | 84% | 0.839 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.2 | 28 | -179.8 | -55.1 | -85.7 | 0 | 0 | 0 | 114.1 | A91 E92 | A91-Y95 PolarHBondContact O-N 3.35Å; A91-Y95 VanDerWaalsContact O-N 3.14Å; E92-Y95 PolarHBondContact O-N 2.87Å |
| 96 | L | 88.9 | Confident | 86.3 | Confident | 103 Ų | 103 | 117.8 Ų | 117.8 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | trans | -86.9 | 136.7 | 176.9 | -63.2 | 174.8 | 0 | 0 | 0 | 110.3 | A91 F94 | A91-L96 HydrophobicContact CB-CB 4.14Å; A91-L96 PolarHBondContact O-N 3.31Å; F94-L96 HydrophobicContact CB-CD1 4.23Å; F94-L96 HydrophobicContact CB-CG 4.16Å; F94-L96 PolarHBondContact O-N 2.88Å | ||
| 97 | R | 84.2 | Confident | 86.3 | Confident | 242 Ų | 242 | 115.2 Ų | 115.2 | 91% | 0.913 | 56% | 0.564 | S | S | * | * | trans | -100 | 107.1 | 170.2 | -68.7 | -175.8 | 179.4 | 176.9 | 0.1 | 108.6 | ||||
| 98 | L | 87.3 | Confident | 86.1 | Confident | 96 Ų | 96 | 121.2 Ų | 121.2 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | trans | -90.3 | 139.2 | 174.6 | -60.4 | -177.9 | 0 | 0 | 0 | 109.8 | F88 A91 | F88-L98 HydrophobicContact CD1-CB 4.19Å; F88-L98 HydrophobicContact CD1-CD1 4.12Å; F88-L98 HydrophobicContact CE1-CB 3.95Å; F88-L98 HydrophobicContact CE1-CD1 4.37Å; A91-L98 HydrophobicContact CB-CD1 3.52Å; A91-L98 HydrophobicContact CB-CG 3.78Å | ||
| 99 | Q | 85.6 | Confident | 85.8 | Confident | 191 Ų | 191 | 123.9 Ų | 123.9 | 89% | 0.893 | 60% | 0.595 | S | S | * | * | trans | -127.4 | 133.2 | 173.3 | -69.4 | -177.3 | -25.6 | 0 | 0 | 107.8 | ||||
| 100 | S | 85.7 | Confident | 85.7 | Confident | 82 Ų | 82 | 124.4 Ų | 124.4 | 57% | 0.573 | 59% | 0.593 | S | S | * | * | trans | -109.4 | 126.6 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 109 | V102 | S100-V102 PolarHBondContact O-N 3.26Š| ||
| 101 | D | 85.1 | Confident | 85.6 | Confident | 91 Ų | 91 | 124.4 Ų | 124.4 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | trans | -80.9 | 106.9 | 169.8 | -168 | -11.5 | 0 | 0 | 0 | 109.4 | S103 E104 | D101-S103 PolarHBondContact O-N 2.87Å; D101-S103 WeakPolarHBondContact OD1-CB 3.25Å; D101-S103 PolarHBondContact OD1-N 3.46Å; D101-S103 PolarHBondContact OD1-OG 3.24Å; D101-E104 HydrophobicContact CB-CG 4.21Å; D101-E104 PolarHBondContact O-N 2.93Å | ||
| 102 | V | 86.2 | Confident | 85.6 | Confident | 101 Ų | 101 | 129.5 Ų | 129.5 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65.6 | -25.3 | 179.8 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | S100 E104 L105 | S100-V102 PolarHBondContact O-N 3.26Å; V102-E104 PolarHBondContact O-N 3.48Å; V102-L105 HydrophobicContact CG1-CD1 4.21Å; V102-L105 WeakPolarHBondContact O-CB 3.5Å; V102-L105 PolarHBondContact O-N 2.87Å; V102-L105 VanDerWaalsContact O-N 3.15Å |
| 103 | S | 84.6 | Confident | 85.6 | Confident | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -65.2 | -28.9 | -179.1 | -35.4 | 0 | 0 | 0 | 0 | 112.2 | D101 L105 | D101-S103 PolarHBondContact O-N 2.87Å; D101-S103 WeakPolarHBondContact OD1-CB 3.25Å; D101-S103 PolarHBondContact OD1-N 3.46Å; D101-S103 PolarHBondContact OD1-OG 3.24Å; S103-L105 VanDerWaalsContact C-N 3.32Å |
| 104 | E | 84.4 | Confident | 85.6 | Confident | 115 Ų | 115 | 121.4 Ų | 121.4 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -77.2 | -16.9 | 178.2 | -65.1 | -164.3 | 148 | 0 | 0 | 113.1 | D101 V102 E106 N107 L110 | D101-E104 HydrophobicContact CB-CG 4.21Å; D101-E104 PolarHBondContact O-N 2.93Å; V102-E104 PolarHBondContact O-N 3.48Å; E104-E106 PolarHBondContact O-N 3.43Å; E104-N107 WeakPolarHBondContact O-CB 3.33Å; E104-N107 PolarHBondContact O-N 2.8Å; E104-L110 HydrophobicContact CB-CD1 4.46Å |
| 105 | L | 84.1 | Confident | 85.6 | Confident | 124 Ų | 124 | 117.3 Ų | 117.3 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -67.5 | -22.8 | -179.3 | -61.5 | 179.7 | 0 | 0 | 0 | 113 | V102 S103 | V102-L105 HydrophobicContact CG1-CD1 4.21Å; V102-L105 WeakPolarHBondContact O-CB 3.5Å; V102-L105 PolarHBondContact O-N 2.87Å; V102-L105 VanDerWaalsContact O-N 3.15Å; S103-L105 VanDerWaalsContact C-N 3.32Å |
| 106 | E | 83.8 | Confident | 85.7 | Confident | 174 Ų | 174 | 112.3 Ų | 112.3 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -95.1 | 3.2 | 175.5 | -62.4 | -172.7 | 168.9 | 0 | 0 | 112.7 | E104 R108 | E104-E106 PolarHBondContact O-N 3.43Å; E106-R108 PolarHBondContact O-N 2.95Å |
| 107 | N | 89.1 | Confident | 85.3 | Confident | 61 Ų | 61 | 107.7 Ų | 107.7 | 33% | 0.326 | 54% | 0.535 | S | S | . | . | trans | -66.7 | 107.7 | 179.6 | -173.9 | -28.4 | 0 | 0 | 0 | 110.3 | E104 E109 L110 L111 | E104-N107 WeakPolarHBondContact O-CB 3.33Å; E104-N107 PolarHBondContact O-N 2.8Å; N107-E109 VanDerWaalsContact C-N 3.26Å; N107-E109 PolarHBondContact O-N 2.86Å; N107-E109 WeakPolarHBondContact OD1-CB 3.44Å; N107-E109 PolarHBondContact OD1-N 3.48Å; N107-L110 HydrophobicContact CB-CB 4.17Å; N107-L110 HydrophobicContact CB-CD1 3.93Å; N107-L110 HydrophobicContact CB-CG 4.05Å; N107-L110 PolarHBondContact O-N 3.37Å; N107-L110 PolarHBondContact OD1-N 2.82Å; N107-L111 WeakPolarHBondContact O-CG 3.44Å; N107-L111 PolarHBondContact O-N 3.45Å | ||
| 108 | R | 86.4 | Confident | 85.1 | Confident | 208 Ų | 208 | 97.9 Ų | 97.9 | 79% | 0.785 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -35.2 | -177.2 | -173.5 | 173.8 | 177.6 | 142.5 | 0 | 113.3 | E106 E112 | E106-R108 PolarHBondContact O-N 2.95Å; R108-E112 WeakPolarHBondContact O-CB 3.43Å; R108-E112 PolarHBondContact O-N 3.5Å |
| 109 | E | 85.6 | Confident | 84.8 | Confident | 132 Ų | 132 | 99.9 Ų | 99.9 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.6 | -45.2 | 179.3 | -170.4 | -179.6 | 173 | 0 | 0 | 110.9 | N107 L111 E112 Q113 | N107-E109 VanDerWaalsContact C-N 3.26Å; N107-E109 PolarHBondContact O-N 2.86Å; N107-E109 WeakPolarHBondContact OD1-CB 3.44Å; N107-E109 PolarHBondContact OD1-N 3.48Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 2.83Å; E109-E112 PolarHBondContact O-N 3.36Å; E109-Q113 WeakPolarHBondContact O-CG 3.32Å; E109-Q113 PolarHBondContact O-N 2.88Å |
| 110 | L | 84.5 | Confident | 84.1 | Confident | 62 Ų | 62 | 93.9 Ų | 93.9 | 33% | 0.325 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.1 | -64.6 | -179.9 | 0 | 0 | 0 | 111.6 | E104 N107 E112 Q113 V114 | E104-L110 HydrophobicContact CB-CD1 4.46Å; N107-L110 HydrophobicContact CB-CB 4.17Å; N107-L110 HydrophobicContact CB-CD1 3.93Å; N107-L110 HydrophobicContact CB-CG 4.05Å; N107-L110 PolarHBondContact O-N 3.37Å; N107-L110 PolarHBondContact OD1-N 2.82Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 3.14Å; L110-Q113 PolarHBondContact O-N 3.42Å; L110-V114 WeakPolarHBondContact O-CG2 3.42Å; L110-V114 PolarHBondContact O-N 2.82Å |
| 111 | L | 86.3 | Confident | 83.3 | Confident | 97 Ų | 97 | 90.9 Ų | 90.9 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.1 | -69.9 | 172.9 | 0 | 0 | 0 | 112.2 | N107 E109 V114 A115 | N107-L111 WeakPolarHBondContact O-CG 3.44Å; N107-L111 PolarHBondContact O-N 3.45Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 2.83Å; L111-V114 PolarHBondContact O-N 3.35Å; L111-A115 WeakPolarHBondContact O-CB 3.35Å; L111-A115 PolarHBondContact O-N 2.89Å |
| 112 | E | 87.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 54% | 0.542 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.5 | -172.9 | 158 | -149.7 | 0 | 0 | 111.6 | R108 E109 L110 V114 A115 E116 | R108-E112 WeakPolarHBondContact O-CB 3.43Å; R108-E112 PolarHBondContact O-N 3.5Å; E109-E112 PolarHBondContact O-N 3.36Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 3.14Å; E112-V114 PolarHBondContact O-N 2.9Å; E112-A115 WeakPolarHBondContact O-CB 3.25Å; E112-A115 PolarHBondContact O-N 3.44Å; E112-A115 VanDerWaalsContact O-N 3.15Å; E112-E116 WeakPolarHBondContact O-CG 3.45Å; E112-E116 PolarHBondContact O-N 2.83Å |
| 113 | Q | 84.6 | Confident | 80.8 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.5 | -69.7 | 175.1 | 22 | 0 | 0 | 112.1 | F4 E109 L110 A115 E116 F117 | F4-Q113 HydrophobicContact CE1-CB 4.03Å; F4-Q113 HydrophobicContact CZ-CB 4.25Å; E109-Q113 WeakPolarHBondContact O-CG 3.32Å; E109-Q113 PolarHBondContact O-N 2.88Å; L110-Q113 PolarHBondContact O-N 3.42Å; Q113-A115 VanDerWaalsContact C-N 3.33Å; Q113-A115 PolarHBondContact O-N 2.83Å; Q113-E116 PolarHBondContact O-N 3.45Å; Q113-F117 WeakPolarHBondContact O-CB 3.41Å; Q113-F117 PolarHBondContact O-N 2.98Å |
| 114 | V | 85.6 | Confident | 79.4 | Confident | 56 Ų | 56 | 92.2 Ų | 92.2 | 34% | 0.339 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | F4 M18 L110 L111 E112 F117 E118 | F4-V114 HydrophobicContact CE1-CG2 3.79Å; F4-V114 HydrophobicContact CZ-CB 4.42Å; F4-V114 HydrophobicContact CZ-CG2 3.73Å; M18-V114 HydrophobicContact CE-CG1 3.6Å; M18-V114 HydrophobicContact SD-CG1 4.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.42Å; L110-V114 PolarHBondContact O-N 2.82Å; L111-V114 PolarHBondContact O-N 3.35Å; E112-V114 PolarHBondContact O-N 2.9Å; V114-F117 WeakPolarHBondContact O-CB 3.47Å; V114-F117 PolarHBondContact O-N 3.43Å; V114-E118 PolarHBondContact O-N 2.93Å |
| 115 | A | 85.2 | Confident | 77.8 | Confident | 37 Ų | 37 | 88.8 Ų | 88.8 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L111 E112 Q113 K119 | L111-A115 WeakPolarHBondContact O-CB 3.35Å; L111-A115 PolarHBondContact O-N 2.89Å; E112-A115 WeakPolarHBondContact O-CB 3.25Å; E112-A115 PolarHBondContact O-N 3.44Å; E112-A115 VanDerWaalsContact O-N 3.15Å; Q113-A115 VanDerWaalsContact C-N 3.33Å; Q113-A115 PolarHBondContact O-N 2.83Å; A115-K119 WeakPolarHBondContact O-CG 3.27Å; A115-K119 PolarHBondContact O-N 2.9Å |
| 116 | E | 84.6 | Confident | 76 | Confident | 109 Ų | 109 | 89.5 Ų | 89.5 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 172.6 | -74.6 | -169.6 | 166.4 | 0 | 0 | 111.6 | E112 Q113 E118 K119 T120 | E112-E116 WeakPolarHBondContact O-CG 3.45Å; E112-E116 PolarHBondContact O-N 2.83Å; Q113-E116 PolarHBondContact O-N 3.45Å; E116-E118 VanDerWaalsContact C-N 3.33Å; E116-E118 PolarHBondContact O-N 3.18Å; E116-K119 WeakPolarHBondContact O-CA 3.39Å; E116-K119 WeakPolarHBondContact O-CB 3.27Å; E116-K119 PolarHBondContact O-N 2.88Å; E116-T120 PolarHBondContact O-N 2.97Å; E116-T120 PolarHBondContact O-OG1 3.03Å |
| 117 | F | 80.5 | Confident | 74.2 | Confident | 7 Ų | 7 | 90.4 Ų | 90.4 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 175.5 | -177 | -102 | 0 | 0 | 0 | 112.1 | A2 F4 I15 Q113 V114 K119 T120 D121 | A2-F117 HydrophobicContact CB-CD2 4.45Å; F4-F117 HydrophobicContact CE2-CB 3.87Å; F4-F117 HydrophobicContact CE2-CD1 4.12Å; F4-F117 AromaticContact CE2-CD2 3.92Å; F4-F117 HydrophobicContact CE2-CD2 3.92Å; F4-F117 AromaticContact CE2-CG 3.71Å; F4-F117 HydrophobicContact CE2-CG 3.71Å; F4-F117 HydrophobicContact CZ-CB 4.12Å; F4-F117 HydrophobicContact CZ-CG 4.44Å; I15-F117 HydrophobicContact CD1-CZ 4.13Å; I15-F117 HydrophobicContact CG1-CE1 3.9Å; I15-F117 HydrophobicContact CG1-CZ 3.79Å; Q113-F117 WeakPolarHBondContact O-CB 3.41Å; Q113-F117 PolarHBondContact O-N 2.98Å; V114-F117 WeakPolarHBondContact O-CB 3.47Å; V114-F117 PolarHBondContact O-N 3.43Å; F117-K119 PolarHBondContact O-N 3.35Å; F117-T120 PolarHBondContact O-N 3.41Å; F117-T120 PolarHBondContact O-OG1 3.5Å; F117-T120 VanDerWaalsContact O-OG1 3.13Å; F117-D121 WeakPolarHBondContact CE2-OD2 3.38Å; F117-D121 WeakPolarHBondContact CZ-OD2 3.22Å; F117-D121 PolarHBondContact O-N 3.33Å; F117-D121 VanDerWaalsContact O-N 3.17Å |
| 118 | E | 81 | Confident | 71.9 | Confident | 36 Ų | 36 | 94.5 Ų | 94.5 | 17% | 0.168 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.8 | -31.7 | 173.3 | -162.1 | -170.3 | 169.1 | 0 | 0 | 112.1 | M18 R25 V114 E116 F122 | M18-E118 HydrophobicContact CE-CB 3.7Å; M18-E118 HydrophobicContact CE-CG 3.85Å; R25-E118 IonicContact CZ-OE1 2.69Å; R25-E118 IonicContact NH1-OE1 2.85Å; R25-E118 IonicContact NH1-OE2 3.78Å; R25-E118 IonicContact NH2-OE1 3.14Å; R25-E118 PolarHBondContact NH2-OE1 3.45Å; R25-E118 IonicContact NH2-OE2 3.67Å; V114-E118 PolarHBondContact O-N 2.93Å; E116-E118 VanDerWaalsContact C-N 3.33Å; E116-E118 PolarHBondContact O-N 3.18Å; E118-F122 HydrophobicContact CG-CD2 4.29Å; E118-F122 HydrophobicContact CG-CE2 3.95Å; E118-F122 WeakPolarHBondContact O-CD2 3.36Å |
| 119 | K | 81.2 | Confident | 69.7 | Low | 138 Ų | 138 | 91.7 Ų | 91.7 | 60% | 0.6 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -78.8 | -35.6 | 178.1 | -68.8 | 167.4 | -173.1 | 168.7 | 0 | 112.5 | A115 E116 F117 K123 | A115-K119 WeakPolarHBondContact O-CG 3.27Å; A115-K119 PolarHBondContact O-N 2.9Å; E116-K119 WeakPolarHBondContact O-CA 3.39Å; E116-K119 WeakPolarHBondContact O-CB 3.27Å; E116-K119 PolarHBondContact O-N 2.88Å; F117-K119 PolarHBondContact O-N 3.35Å; K119-K123 WeakPolarHBondContact O-CG 3.25Å |
| 120 | T | 71.4 | Confident | 67.6 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 39% | 0.393 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77.6 | -45.2 | -174.5 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | E116 F117 F122 K123 | E116-T120 PolarHBondContact O-N 2.97Å; E116-T120 PolarHBondContact O-OG1 3.03Å; F117-T120 PolarHBondContact O-N 3.41Å; F117-T120 PolarHBondContact O-OG1 3.5Å; F117-T120 VanDerWaalsContact O-OG1 3.13Å; T120-F122 VanDerWaalsContact C-N 3.35Å; T120-F122 PolarHBondContact O-N 3.44Å; T120-K123 PolarHBondContact O-N 2.93Å |
| 121 | D | 67.4 | Low | 65.9 | Low | 20 Ų | 20 | 99.4 Ų | 99.4 | 11% | 0.107 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -72.1 | -30.3 | -172.1 | -84.9 | 12.6 | 0 | 0 | 0 | 113.1 | I15 F117 I124 T125 | I15-D121 WeakPolarHBondContact CD1-OD2 3.32Å; F117-D121 WeakPolarHBondContact CE2-OD2 3.38Å; F117-D121 WeakPolarHBondContact CZ-OD2 3.22Å; F117-D121 PolarHBondContact O-N 3.33Å; F117-D121 VanDerWaalsContact O-N 3.17Å; D121-I124 PolarHBondContact O-N 2.85Å; D121-T125 PolarHBondContact O-N 3.37Å; D121-T125 PolarHBondContact O-OG1 3.49Å |
| 122 | F | 61.3 | Low | 63.8 | Low | 37 Ų | 37 | 100.6 Ų | 100.6 | 16% | 0.162 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -79.8 | -17.6 | 178.1 | -72.7 | -95.4 | 0 | 0 | 0 | 113.7 | R19 E118 T120 I124 | R19-F122 HydrophobicContact CB-CZ 4.28Å; R19-F122 HydrophobicContact CG-CE1 3.62Å; R19-F122 HydrophobicContact CG-CZ 3.47Å; R19-F122 VanDerWaalsContact CG-CZ 3.47Å; E118-F122 HydrophobicContact CG-CD2 4.29Å; E118-F122 HydrophobicContact CG-CE2 3.95Å; E118-F122 WeakPolarHBondContact O-CD2 3.36Å; T120-F122 VanDerWaalsContact C-N 3.35Å; T120-F122 PolarHBondContact O-N 3.44Å; F122-I124 VanDerWaalsContact C-N 3.31Å |
| 123 | K | 58.2 | Low | 61.6 | Low | 169 Ų | 169 | 99.9 Ų | 99.9 | 74% | 0.735 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.8 | -30.4 | 169 | -75.2 | 176.5 | -178.8 | 179.6 | 0 | 111.5 | K119 T120 | K119-K123 WeakPolarHBondContact O-CG 3.25Å; T120-K123 PolarHBondContact O-N 2.93Å |
| 124 | I | 55.2 | Low | 60 | Low | 109 Ų | 109 | 106.5 Ų | 106.5 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -79.2 | -34.4 | -177.4 | -60.7 | 169.7 | 0 | 0 | 0 | 111.1 | D121 F122 | D121-I124 PolarHBondContact O-N 2.85Å; F122-I124 VanDerWaalsContact C-N 3.31Å |
| 125 | T | 50.4 | Low | 57.9 | Low | 43 Ų | 43 | 111.2 Ų | 111.2 | 26% | 0.264 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -86.1 | -12.4 | -171.9 | 22.8 | 0 | 0 | 0 | 0 | 116.3 | D121 K127 L128 | D121-T125 PolarHBondContact O-N 3.37Å; D121-T125 PolarHBondContact O-OG1 3.49Å; T125-K127 PolarHBondContact O-N 2.83Å; T125-L128 PolarHBondContact O-N 2.9Å |
| 126 | N | 46.1 | Very low | 56 | Low | 138 Ų | 138 | 118.4 Ų | 118.4 | 74% | 0.738 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -7.9 | 171.3 | -85.8 | -8.2 | 0 | 0 | 0 | 113.7 | ||
| 127 | K | 45.7 | Very low | 54.1 | Low | 194 Ų | 194 | 119.7 Ų | 119.7 | 84% | 0.843 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -7.5 | 174.1 | -71.1 | -174.6 | 177.3 | -178.8 | 0 | 115 | T125 | T125-K127 PolarHBondContact O-N 2.83Š|
| 128 | L | 42.5 | Very low | 52.5 | Low | 146 Ų | 146 | 122.9 Ų | 122.9 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | trans | -127.3 | 48.6 | -171.9 | -125 | 86.6 | 0 | 0 | 0 | 111.6 | T125 Q130 | T125-L128 PolarHBondContact O-N 2.9Å; L128-Q130 PolarHBondContact O-N 2.87Å; L128-Q130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | N | 40 | Very low | 50.8 | Low | 150 Ų | 150 | 125.1 Ų | 125.1 | 80% | 0.802 | 64% | 0.641 | S | S | * | * | trans | -77.6 | 89.6 | 167.6 | -84.8 | -27.9 | 0 | 0 | 0 | 109.3 | ||||
| 130 | Q | 41.5 | Very low | 49.1 | Very low | 173 Ų | 173 | 124.2 Ų | 124.2 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | trans | -144.4 | 113.6 | 157.9 | -138.3 | 171.2 | 20.7 | 0 | 0 | 109.7 | L128 | L128-Q130 PolarHBondContact O-N 2.87Å; L128-Q130 VanDerWaalsContact O-N 3.12Å | ||
| 131 | E | 47.3 | Very low | 47.8 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | trans | 18.6 | 98.6 | 157.5 | -61.6 | -175.7 | 158.5 | 0 | 0 | 117.5 | ||||
| 132 | T | 42.8 | Very low | 46.9 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | trans | -111.3 | 84.5 | 150.7 | 55.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 133 | S | 42 | Very low | 46.4 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | -43.5 | 134.4 | 157.6 | 35.6 | 0 | 0 | 0 | 0 | 110 | L135 | S133-L135 PolarHBondContact O-N 3.36Š| ||
| 134 | K | 49.6 | Very low | 46.4 | Very low | 206 Ų | 206 | 125.2 Ų | 125.2 | 90% | 0.896 | 66% | 0.658 | S | S | * | * | trans | -22.7 | 90.1 | 174.7 | -63.5 | 173.2 | 179.9 | 175.9 | 0 | 113.6 | K136 | K134-K136 VanDerWaalsContact C-N 3.29Å; K134-K136 PolarHBondContact O-N 2.82Å | ||
| 135 | L | 42.7 | Very low | 46.6 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 81% | 0.812 | 66% | 0.657 | S | S | * | * | trans | -75 | 93.9 | 158.6 | -75.2 | 163.5 | 0 | 0 | 0 | 105.6 | S133 L137 | S133-L135 PolarHBondContact O-N 3.36Å; L135-L137 PolarHBondContact O-N 3.42Å | ||
| 136 | K | 45.6 | Very low | 47.3 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | trans | -51.4 | 134 | 157.2 | -78.2 | 178.4 | 175.4 | 178.3 | 0 | 106.5 | K134 A138 | K134-K136 VanDerWaalsContact C-N 3.29Å; K134-K136 PolarHBondContact O-N 2.82Å; K136-A138 PolarHBondContact O-N 3.3Å | ||
| 137 | L | 44.4 | Very low | 48.5 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 71% | 0.707 | 65% | 0.651 | S | S | * | * | trans | -33.6 | 99.1 | 170.9 | -67.6 | 162 | 0 | 0 | 0 | 110 | L135 | L135-L137 PolarHBondContact O-N 3.42Š| ||
| 138 | A | 45.4 | Very low | 49.9 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | trans | -84.1 | 129.6 | 162 | 0 | 0 | 0 | 0 | 0 | 104.7 | K136 L140 | K136-A138 PolarHBondContact O-N 3.3Å; A138-L140 PolarHBondContact O-N 3.45Å | ||
| 139 | P | 46.8 | Very low | 51.6 | Low | 83 Ų | 83 | 117.6 Ų | 117.6 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -52.4 | 129.2 | 174.7 | -21.3 | 32.5 | 0 | 0 | 0 | 108.1 | N141 E142 | P139-N141 PolarHBondContact O-N 3.39Å; P139-E142 HydrophobicContact CB-CG 4.01Å; P139-E142 HydrophobicContact CG-CG 3.86Å | ||
| 140 | L | 44 | Very low | 53.6 | Low | 120 Ų | 120 | 114.6 Ų | 114.6 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 88.8 | 167.5 | -136.3 | 80.1 | 0 | 0 | 0 | 106.2 | H9 A138 | H9-L140 HydrophobicContact CB-CD1 4.32Å; H9-L140 HydrophobicContact CB-CD2 3.54Å; H9-L140 WeakPolarHBondContact CD2-CD1 3.27Å; A138-L140 PolarHBondContact O-N 3.45Å |
| 141 | N | 45.8 | Very low | 55.7 | Low | 109 Ų | 109 | 112.8 Ų | 112.8 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.9 | 102 | -168.8 | -54.8 | -26.3 | 0 | 0 | 0 | 115.7 | P139 G143 G144 | P139-N141 PolarHBondContact O-N 3.39Å; N141-G143 PolarHBondContact O-N 3.2Å; N141-G143 VanDerWaalsContact O-N 3.07Å; N141-G144 PolarHBondContact O-N 3.48Å |
| 142 | E | 47.4 | Very low | 57.5 | Low | 164 Ų | 164 | 108.5 Ų | 108.5 | 77% | 0.766 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -18.2 | 145.1 | -77.1 | 180 | 166.3 | 0 | 0 | 111.9 | P139 S146 | P139-E142 HydrophobicContact CB-CG 4.01Å; P139-E142 HydrophobicContact CG-CG 3.86Å; E142-S146 WeakPolarHBondContact O-CB 3.32Å |
| 143 | G | 50.4 | Low | 59.7 | Low | 21 Ų | 21 | 105.9 Ų | 105.9 | 22% | 0.216 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 2.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | N141 E147 | N141-G143 PolarHBondContact O-N 3.2Å; N141-G143 VanDerWaalsContact O-N 3.07Å; G143-E147 VanDerWaalsContact O-CA 3.25Å; G143-E147 WeakPolarHBondContact O-CA 3.44Å; G143-E147 WeakPolarHBondContact O-CB 3.46Å; G143-E147 VanDerWaalsContact O-CD 3.27Å; G143-E147 WeakPolarHBondContact O-CG 3.49Å; G143-E147 PolarHBondContact O-N 3.12Å |
| 144 | G | 59.6 | Low | 62 | Low | 16 Ų | 16 | 103.3 Ų | 103.3 | 17% | 0.165 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -84.6 | -64.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N141 S146 L148 | N141-G144 PolarHBondContact O-N 3.48Å; G144-S146 VanDerWaalsContact C-N 3.28Å; G144-L148 WeakPolarHBondContact O-CB 3.25Å; G144-L148 WeakPolarHBondContact O-CG 3.22Å; G144-L148 PolarHBondContact O-N 2.82Å |
| 145 | V | 58 | Low | 64.2 | Low | 87 Ų | 87 | 98.9 Ų | 98.9 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | F94 L148 L149 | F94-V145 HydrophobicContact CE1-CG1 4.49Å; F94-V145 HydrophobicContact CE1-CG2 4.19Å; V145-L148 PolarHBondContact O-N 2.92Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 PolarHBondContact O-N 3.19Å |
| 146 | S | 64.8 | Low | 66.6 | Low | 54 Ų | 54 | 95.9 Ų | 95.9 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 177 | -165.1 | 0 | 0 | 0 | 0 | 112.6 | E142 G144 N150 | E142-S146 WeakPolarHBondContact O-CB 3.32Å; G144-S146 VanDerWaalsContact C-N 3.28Å; S146-N150 WeakPolarHBondContact O-CA 3.5Å; S146-N150 WeakPolarHBondContact O-CB 3.47Å; S146-N150 PolarHBondContact O-N 3.47Å; S146-N150 PolarHBondContact O-ND2 2.88Å |
| 147 | E | 73.1 | Confident | 68.9 | Low | 107 Ų | 107 | 92.5 Ų | 92.5 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.8 | -35.5 | 173 | -72.4 | 168 | -167.4 | 0 | 0 | 111.9 | G143 L149 N150 K151 | G143-E147 VanDerWaalsContact O-CA 3.25Å; G143-E147 WeakPolarHBondContact O-CA 3.44Å; G143-E147 WeakPolarHBondContact O-CB 3.46Å; G143-E147 VanDerWaalsContact O-CD 3.27Å; G143-E147 WeakPolarHBondContact O-CG 3.49Å; G143-E147 PolarHBondContact O-N 3.12Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-N150 PolarHBondContact O-N 3.21Å; E147-K151 WeakPolarHBondContact O-CB 3.3Å; E147-K151 WeakPolarHBondContact O-CG 3.31Å; E147-K151 PolarHBondContact O-N 3.44Å |
| 148 | L | 73.9 | Confident | 71.3 | Confident | 119 Ų | 119 | 91 Ų | 91 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 173.3 | -73.2 | 171.5 | 0 | 0 | 0 | 110.7 | G144 V145 K151 E152 | G144-L148 WeakPolarHBondContact O-CB 3.25Å; G144-L148 WeakPolarHBondContact O-CG 3.22Å; G144-L148 PolarHBondContact O-N 2.82Å; V145-L148 PolarHBondContact O-N 2.92Å; L148-K151 PolarHBondContact O-N 2.93Å; L148-E152 WeakPolarHBondContact O-CB 3.31Å; L148-E152 PolarHBondContact O-N 2.81Å |
| 149 | L | 79.3 | Confident | 73.6 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 173.9 | -159.9 | 87.7 | 0 | 0 | 0 | 110.8 | V145 E147 K151 E152 I153 | V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 PolarHBondContact O-N 3.19Å; E147-L149 VanDerWaalsContact C-N 3.34Å; L149-K151 VanDerWaalsContact C-N 3.35Å; L149-E152 PolarHBondContact O-N 3.35Å; L149-I153 HydrophobicContact CD2-CD1 3.92Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 HydrophobicContact CG-CG1 4.49Å; L149-I153 VanDerWaalsContact O-CB 3.25Å; L149-I153 WeakPolarHBondContact O-CB 3.3Å; L149-I153 WeakPolarHBondContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CG1 3.38Å; L149-I153 PolarHBondContact O-N 3.46Å |
| 150 | N | 81.4 | Confident | 75.9 | Confident | 87 Ų | 87 | 90.9 Ų | 90.9 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -34.1 | 176.9 | -72.8 | -31.7 | 0 | 0 | 0 | 111.6 | S146 E147 A154 | S146-N150 WeakPolarHBondContact O-CA 3.5Å; S146-N150 WeakPolarHBondContact O-CB 3.47Å; S146-N150 PolarHBondContact O-N 3.47Å; S146-N150 PolarHBondContact O-ND2 2.88Å; E147-N150 PolarHBondContact O-N 3.21Å; N150-A154 WeakPolarHBondContact O-CB 3.43Å; N150-A154 PolarHBondContact O-N 3.44Å |
| 151 | K | 84.7 | Confident | 78.4 | Confident | 135 Ų | 135 | 89.7 Ų | 89.7 | 59% | 0.587 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -43.9 | 171.8 | -80.8 | 173.9 | -174.8 | 172.5 | 0 | 110.8 | E147 L148 L149 A154 K155 | E147-K151 WeakPolarHBondContact O-CB 3.3Å; E147-K151 WeakPolarHBondContact O-CG 3.31Å; E147-K151 PolarHBondContact O-N 3.44Å; L148-K151 PolarHBondContact O-N 2.93Å; L149-K151 VanDerWaalsContact C-N 3.35Å; K151-A154 PolarHBondContact O-N 2.88Å; K151-K155 VanDerWaalsContact O-CB 3.26Å; K151-K155 WeakPolarHBondContact O-CB 3.36Å; K151-K155 PolarHBondContact O-N 3.28Å |
| 152 | E | 85.4 | Confident | 80.8 | Confident | 93 Ų | 93 | 89.1 Ų | 89.1 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 176.3 | -167.6 | 60.4 | -157.5 | 0 | 0 | 111.2 | L148 L149 K155 L156 | L148-E152 WeakPolarHBondContact O-CB 3.31Å; L148-E152 PolarHBondContact O-N 2.81Å; L149-E152 PolarHBondContact O-N 3.35Å; E152-K155 PolarHBondContact O-N 2.89Å; E152-L156 HydrophobicContact CG-CD1 4.11Å; E152-L156 HydrophobicContact CG-CG 4.46Å; E152-L156 VanDerWaalsContact O-CB 3.26Å; E152-L156 WeakPolarHBondContact O-CB 3.49Å; E152-L156 WeakPolarHBondContact O-CG 3.39Å; E152-L156 PolarHBondContact O-N 2.94Å |
| 153 | I | 88.5 | Confident | 83 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 34% | 0.338 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 173.1 | -72.3 | 163.3 | 0 | 0 | 0 | 110.3 | L149 K155 L156 Q157 | L149-I153 HydrophobicContact CD2-CD1 3.92Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 HydrophobicContact CG-CG1 4.49Å; L149-I153 VanDerWaalsContact O-CB 3.25Å; L149-I153 WeakPolarHBondContact O-CB 3.3Å; L149-I153 WeakPolarHBondContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CG1 3.38Å; L149-I153 PolarHBondContact O-N 3.46Å; I153-K155 VanDerWaalsContact C-N 3.34Å; I153-K155 PolarHBondContact O-N 3.21Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-Q157 HydrophobicContact CG2-CG 4.3Å; I153-Q157 VanDerWaalsContact O-CB 3.28Å; I153-Q157 WeakPolarHBondContact O-CB 3.36Å; I153-Q157 WeakPolarHBondContact O-CG 3.34Å; I153-Q157 PolarHBondContact O-N 3.28Å |
| 154 | A | 91.6 | Very high | 85.2 | Confident | 48 Ų | 48 | 90.7 Ų | 90.7 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N150 K151 Q157 E158 | N150-A154 WeakPolarHBondContact O-CB 3.43Å; N150-A154 PolarHBondContact O-N 3.44Å; K151-A154 PolarHBondContact O-N 2.88Å; A154-Q157 PolarHBondContact O-N 2.9Å; A154-E158 WeakPolarHBondContact O-CB 3.4Å; A154-E158 PolarHBondContact O-N 2.8Å |
| 155 | K | 94.5 | Very high | 86.9 | Confident | 113 Ų | 113 | 92.9 Ų | 92.9 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.5 | -172.1 | -176.6 | 175.9 | -167.9 | 0 | 111.7 | K151 E152 I153 Q157 E158 D159 | K151-K155 VanDerWaalsContact O-CB 3.26Å; K151-K155 WeakPolarHBondContact O-CB 3.36Å; K151-K155 PolarHBondContact O-N 3.28Å; E152-K155 PolarHBondContact O-N 2.89Å; I153-K155 VanDerWaalsContact C-N 3.34Å; I153-K155 PolarHBondContact O-N 3.21Å; K155-Q157 VanDerWaalsContact C-N 3.3Å; K155-Q157 PolarHBondContact O-N 3.49Å; K155-E158 PolarHBondContact O-N 2.91Å; K155-D159 WeakPolarHBondContact O-CB 3.48Å; K155-D159 PolarHBondContact O-N 3.34Å |
| 156 | L | 93.3 | Very high | 88.6 | Confident | 91 Ų | 91 | 97 Ų | 97 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 175.6 | -74 | 171.6 | 0 | 0 | 0 | 112.3 | E152 I153 N160 | E152-L156 HydrophobicContact CG-CD1 4.11Å; E152-L156 HydrophobicContact CG-CG 4.46Å; E152-L156 VanDerWaalsContact O-CB 3.26Å; E152-L156 WeakPolarHBondContact O-CB 3.49Å; E152-L156 WeakPolarHBondContact O-CG 3.39Å; E152-L156 PolarHBondContact O-N 2.94Å; I153-L156 PolarHBondContact O-N 3.46Å; L156-N160 VanDerWaalsContact O-CB 3.29Å; L156-N160 WeakPolarHBondContact O-CB 3.39Å; L156-N160 PolarHBondContact O-N 3.4Å; L156-N160 PolarHBondContact O-ND2 3.45Å |
| 157 | Q | 94.6 | Very high | 90.1 | Very high | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69 | -46 | 172.7 | -78.5 | 173.5 | -12.6 | 0 | 0 | 111 | I153 A154 K155 D159 N160 D161 | I153-Q157 HydrophobicContact CG2-CG 4.3Å; I153-Q157 VanDerWaalsContact O-CB 3.28Å; I153-Q157 WeakPolarHBondContact O-CB 3.36Å; I153-Q157 WeakPolarHBondContact O-CG 3.34Å; I153-Q157 PolarHBondContact O-N 3.28Å; A154-Q157 PolarHBondContact O-N 2.9Å; K155-Q157 VanDerWaalsContact C-N 3.3Å; K155-Q157 PolarHBondContact O-N 3.49Å; Q157-D159 VanDerWaalsContact C-N 3.35Å; Q157-D159 PolarHBondContact O-N 2.9Å; Q157-N160 WeakPolarHBondContact O-CB 3.42Å; Q157-N160 PolarHBondContact O-N 2.92Å; Q157-D161 PolarHBondContact O-N 3.29Å |
| 158 | E | 95.3 | Very high | 91.2 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.4 | -169.7 | -170.5 | 161.2 | 0 | 0 | 111.3 | A154 K155 D161 K162 | A154-E158 WeakPolarHBondContact O-CB 3.4Å; A154-E158 PolarHBondContact O-N 2.8Å; K155-E158 PolarHBondContact O-N 2.91Å; E158-D161 PolarHBondContact O-N 2.8Å; E158-K162 WeakPolarHBondContact O-CB 3.33Å; E158-K162 WeakPolarHBondContact O-CG 3.46Å; E158-K162 PolarHBondContact O-N 2.9Å; E158-K162 WeakPolarHBondContact OE1-CE 3.43Å; E158-K162 IonicContact OE1-NZ 3.87Å; E158-K162 PolarHBondContact OE1-NZ 3.37Å |
| 159 | D | 93.8 | Very high | 92.2 | Very high | 68 Ų | 68 | 100.6 Ų | 100.6 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 176.1 | -75.4 | -15.3 | 0 | 0 | 0 | 111.4 | K155 Q157 D161 K162 L163 | K155-D159 WeakPolarHBondContact O-CB 3.48Å; K155-D159 PolarHBondContact O-N 3.34Å; Q157-D159 VanDerWaalsContact C-N 3.35Å; Q157-D159 PolarHBondContact O-N 2.9Å; D159-D161 PolarHBondContact O-N 3.26Å; D159-K162 PolarHBondContact O-N 3.48Å; D159-L163 WeakPolarHBondContact O-CB 3.24Å; D159-L163 VanDerWaalsContact O-CG 3.24Å; D159-L163 WeakPolarHBondContact O-CG 3.36Å; D159-L163 PolarHBondContact O-N 2.95Å |
| 160 | N | 94.8 | Very high | 92.9 | Very high | 85 Ų | 85 | 100.9 Ų | 100.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.1 | -108.6 | -59 | 0 | 0 | 0 | 112.4 | L156 Q157 L163 K164 | L156-N160 VanDerWaalsContact O-CB 3.29Å; L156-N160 WeakPolarHBondContact O-CB 3.39Å; L156-N160 PolarHBondContact O-N 3.4Å; L156-N160 PolarHBondContact O-ND2 3.45Å; Q157-N160 WeakPolarHBondContact O-CB 3.42Å; Q157-N160 PolarHBondContact O-N 2.92Å; N160-L163 PolarHBondContact O-N 2.91Å; N160-K164 WeakPolarHBondContact O-CB 3.18Å; N160-K164 VanDerWaalsContact O-CG 3.27Å; N160-K164 WeakPolarHBondContact O-CG 3.46Å; N160-K164 PolarHBondContact O-N 2.98Å |
| 161 | D | 95.5 | Very high | 93.5 | Very high | 95 Ų | 95 | 101.7 Ų | 101.7 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72 | -35.2 | -179.9 | -72.6 | -19.3 | 0 | 0 | 0 | 111.6 | Q157 E158 D159 K164 S165 | Q157-D161 PolarHBondContact O-N 3.29Å; E158-D161 PolarHBondContact O-N 2.8Å; D159-D161 PolarHBondContact O-N 3.26Å; D161-K164 PolarHBondContact O-N 2.66Å; D161-S165 WeakPolarHBondContact O-CB 3.33Å; D161-S165 PolarHBondContact O-N 3.49Å; D161-S165 PolarHBondContact O-OG 2.85Å |
| 162 | K | 95.9 | Very high | 94 | Very high | 98 Ų | 98 | 99 Ų | 99 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 168.1 | -76 | 173.5 | -173.2 | 160.7 | 0 | 111.7 | E158 D159 S165 R166 | E158-K162 WeakPolarHBondContact O-CB 3.33Å; E158-K162 WeakPolarHBondContact O-CG 3.46Å; E158-K162 PolarHBondContact O-N 2.9Å; E158-K162 WeakPolarHBondContact OE1-CE 3.43Å; E158-K162 IonicContact OE1-NZ 3.87Å; E158-K162 PolarHBondContact OE1-NZ 3.37Å; D159-K162 PolarHBondContact O-N 3.48Å; K162-S165 WeakPolarHBondContact CA-OG 3.39Å; K162-S165 PolarHBondContact O-OG 3.37Å; K162-R166 WeakPolarHBondContact O-CB 3.04Å; K162-R166 WeakPolarHBondContact O-CG 3.39Å; K162-R166 PolarHBondContact O-N 2.95Å |
| 163 | L | 95 | Very high | 94.5 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -45.8 | 176.6 | -74.7 | 171 | 0 | 0 | 0 | 111.1 | D159 N160 S165 R166 L167 | D159-L163 WeakPolarHBondContact O-CB 3.24Å; D159-L163 VanDerWaalsContact O-CG 3.24Å; D159-L163 WeakPolarHBondContact O-CG 3.36Å; D159-L163 PolarHBondContact O-N 2.95Å; N160-L163 PolarHBondContact O-N 2.91Å; L163-S165 PolarHBondContact O-N 2.86Å; L163-R166 PolarHBondContact O-N 2.81Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.32Å |
| 164 | K | 95.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.1 | -75.3 | 172.1 | -174.1 | 168.6 | 0 | 112.6 | N160 D161 L167 R168 | N160-K164 WeakPolarHBondContact O-CB 3.18Å; N160-K164 VanDerWaalsContact O-CG 3.27Å; N160-K164 WeakPolarHBondContact O-CG 3.46Å; N160-K164 PolarHBondContact O-N 2.98Å; D161-K164 PolarHBondContact O-N 2.66Å; K164-L167 PolarHBondContact O-N 2.83Å; K164-R168 WeakPolarHBondContact O-CG 3.5Å; K164-R168 PolarHBondContact O-N 2.87Å |
| 165 | S | 95.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 103.3 Ų | 103.3 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.4 | 54 | 0 | 0 | 0 | 0 | 112.2 | D161 K162 L163 L167 R168 T169 | D161-S165 WeakPolarHBondContact O-CB 3.33Å; D161-S165 PolarHBondContact O-N 3.49Å; D161-S165 PolarHBondContact O-OG 2.85Å; K162-S165 WeakPolarHBondContact CA-OG 3.39Å; K162-S165 PolarHBondContact O-OG 3.37Å; L163-S165 PolarHBondContact O-N 2.86Å; S165-L167 VanDerWaalsContact C-N 3.33Å; S165-R168 PolarHBondContact O-N 3.5Å; S165-T169 PolarHBondContact O-N 2.79Å; S165-T169 PolarHBondContact O-OG1 3.2Å |
| 166 | R | 95.4 | Very high | 95 | Very high | 173 Ų | 173 | 100.7 Ų | 100.7 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 169.3 | -80.2 | -176.6 | 173.3 | -177.8 | -0.4 | 112.4 | K162 L163 T169 L170 | K162-R166 WeakPolarHBondContact O-CB 3.04Å; K162-R166 WeakPolarHBondContact O-CG 3.39Å; K162-R166 PolarHBondContact O-N 2.95Å; L163-R166 PolarHBondContact O-N 2.81Å; R166-T169 VanDerWaalsContact CA-OG1 3.25Å; R166-T169 WeakPolarHBondContact CA-OG1 3.4Å; R166-T169 PolarHBondContact O-N 3.47Å; R166-T169 PolarHBondContact O-OG1 3.29Å; R166-L170 WeakPolarHBondContact O-CB 3.46Å; R166-L170 WeakPolarHBondContact O-CG 3.4Å; R166-L170 PolarHBondContact O-N 3.44Å |
| 167 | L | 94.9 | Very high | 95.1 | Very high | 95 Ų | 95 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 178.9 | -144.9 | 163 | 0 | 0 | 0 | 110.2 | L163 K164 S165 T169 L170 E171 | L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.32Å; K164-L167 PolarHBondContact O-N 2.83Å; S165-L167 VanDerWaalsContact C-N 3.33Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 3.43Å; L167-L170 PolarHBondContact O-N 3.27Å; L167-E171 VanDerWaalsContact CD2-CD 3.41Å; L167-E171 HydrophobicContact CD2-CG 3.81Å; L167-E171 WeakPolarHBondContact CD2-OE1 3.46Å; L167-E171 WeakPolarHBondContact O-CB 3.31Å; L167-E171 VanDerWaalsContact O-CG 3.31Å; L167-E171 WeakPolarHBondContact O-CG 3.41Å; L167-E171 PolarHBondContact O-N 2.93Å |
| 168 | R | 95.8 | Very high | 95.1 | Very high | 181 Ų | 181 | 100.3 Ų | 100.3 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -39.6 | 174.9 | -75.2 | -180 | -176.7 | 173.1 | 1.8 | 113.4 | K164 S165 S172 | K164-R168 WeakPolarHBondContact O-CG 3.5Å; K164-R168 PolarHBondContact O-N 2.87Å; S165-R168 PolarHBondContact O-N 3.5Å; R168-S172 WeakPolarHBondContact O-CB 3.31Å; R168-S172 PolarHBondContact O-N 2.88Å |
| 169 | T | 95.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 100.1 Ų | 100.1 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 177.6 | 39.7 | 0 | 0 | 0 | 0 | 111.4 | S165 R166 L167 S172 Q173 | S165-T169 PolarHBondContact O-N 2.79Å; S165-T169 PolarHBondContact O-OG1 3.2Å; R166-T169 VanDerWaalsContact CA-OG1 3.25Å; R166-T169 WeakPolarHBondContact CA-OG1 3.4Å; R166-T169 PolarHBondContact O-N 3.47Å; R166-T169 PolarHBondContact O-OG1 3.29Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 3.43Å; T169-S172 PolarHBondContact O-N 3Å; T169-Q173 WeakPolarHBondContact O-CB 3.3Å; T169-Q173 VanDerWaalsContact O-CG 3.3Å; T169-Q173 WeakPolarHBondContact O-CG 3.38Å; T169-Q173 PolarHBondContact O-N 2.95Å |
| 170 | L | 94.3 | Very high | 95.1 | Very high | 109 Ų | 109 | 101.9 Ų | 101.9 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 172.8 | -77.7 | 169.2 | 0 | 0 | 0 | 112.3 | R166 L167 Q173 A174 | R166-L170 WeakPolarHBondContact O-CB 3.46Å; R166-L170 WeakPolarHBondContact O-CG 3.4Å; R166-L170 PolarHBondContact O-N 3.44Å; L167-L170 PolarHBondContact O-N 3.27Å; L170-Q173 PolarHBondContact O-N 2.85Å; L170-A174 VanDerWaalsContact O-CB 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.24Å; L170-A174 PolarHBondContact O-N 3.2Å |
| 171 | E | 95 | Very high | 95.2 | Very high | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.5 | -77.7 | 171.6 | 160.9 | 0 | 0 | 111.4 | L167 Q173 A174 M175 | L167-E171 VanDerWaalsContact CD2-CD 3.41Å; L167-E171 HydrophobicContact CD2-CG 3.81Å; L167-E171 WeakPolarHBondContact CD2-OE1 3.46Å; L167-E171 WeakPolarHBondContact O-CB 3.31Å; L167-E171 VanDerWaalsContact O-CG 3.31Å; L167-E171 WeakPolarHBondContact O-CG 3.41Å; L167-E171 PolarHBondContact O-N 2.93Å; E171-Q173 PolarHBondContact O-N 3.41Å; E171-A174 PolarHBondContact O-N 2.95Å; E171-M175 WeakPolarHBondContact O-CG 3.4Å; E171-M175 PolarHBondContact O-N 3.47Å |
| 172 | S | 95.4 | Very high | 95.1 | Very high | 78 Ų | 78 | 100.2 Ų | 100.2 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | R168 T169 M175 S176 | R168-S172 WeakPolarHBondContact O-CB 3.31Å; R168-S172 PolarHBondContact O-N 2.88Å; T169-S172 PolarHBondContact O-N 3Å; S172-M175 PolarHBondContact O-N 3.23Å; S172-S176 PolarHBondContact O-N 3.27Å |
| 173 | Q | 95.9 | Very high | 95.1 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.3 | -74.7 | 175 | -8.1 | 0 | 0 | 111.5 | T169 L170 E171 M175 S176 V177 | T169-Q173 WeakPolarHBondContact O-CB 3.3Å; T169-Q173 VanDerWaalsContact O-CG 3.3Å; T169-Q173 WeakPolarHBondContact O-CG 3.38Å; T169-Q173 PolarHBondContact O-N 2.95Å; L170-Q173 PolarHBondContact O-N 2.85Å; E171-Q173 PolarHBondContact O-N 3.41Å; Q173-M175 VanDerWaalsContact C-N 3.34Å; Q173-M175 PolarHBondContact O-N 3.44Å; Q173-S176 PolarHBondContact O-N 3.22Å; Q173-V177 WeakPolarHBondContact O-CG2 3.31Å; Q173-V177 PolarHBondContact O-N 2.99Å |
| 174 | A | 94.1 | Very high | 95 | Very high | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L170 E171 V177 L178 | L170-A174 VanDerWaalsContact O-CB 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.24Å; L170-A174 PolarHBondContact O-N 3.2Å; E171-A174 PolarHBondContact O-N 2.95Å; A174-V177 PolarHBondContact O-N 3.36Å; A174-L178 WeakPolarHBondContact O-CB 3.42Å; A174-L178 WeakPolarHBondContact O-CG 3.44Å; A174-L178 PolarHBondContact O-N 3.49Å |
| 175 | M | 94.4 | Very high | 95 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 172.8 | -76.4 | -174.3 | 64.1 | 0 | 0 | 112 | E171 S172 Q173 V177 L178 D179 | E171-M175 WeakPolarHBondContact O-CG 3.4Å; E171-M175 PolarHBondContact O-N 3.47Å; S172-M175 PolarHBondContact O-N 3.23Å; Q173-M175 VanDerWaalsContact C-N 3.34Å; Q173-M175 PolarHBondContact O-N 3.44Å; M175-V177 VanDerWaalsContact C-N 3.35Å; M175-V177 PolarHBondContact O-N 3.15Å; M175-L178 PolarHBondContact O-N 3.37Å; M175-D179 PolarHBondContact O-N 3.4Å |
| 176 | S | 95.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 106.5 Ų | 106.5 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.8 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | S172 Q173 L178 D179 E180 | S172-S176 PolarHBondContact O-N 3.27Å; Q173-S176 PolarHBondContact O-N 3.22Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 2.99Å; S176-D179 PolarHBondContact O-N 2.83Å; S176-E180 WeakPolarHBondContact O-CB 3.35Å; S176-E180 WeakPolarHBondContact O-CG 3.42Å; S176-E180 PolarHBondContact O-N 2.98Å |
| 177 | V | 95.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 101.7 Ų | 101.7 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | Q173 A174 M175 E180 K181 | Q173-V177 WeakPolarHBondContact O-CG2 3.31Å; Q173-V177 PolarHBondContact O-N 2.99Å; A174-V177 PolarHBondContact O-N 3.36Å; M175-V177 VanDerWaalsContact C-N 3.35Å; M175-V177 PolarHBondContact O-N 3.15Å; V177-E180 PolarHBondContact O-N 3.45Å; V177-K181 VanDerWaalsContact O-CB 3.24Å; V177-K181 WeakPolarHBondContact O-CB 3.33Å; V177-K181 PolarHBondContact O-N 2.93Å |
| 178 | L | 94.8 | Very high | 94.7 | Very high | 109 Ų | 109 | 101.7 Ų | 101.7 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 174.6 | -79.6 | 170.3 | 0 | 0 | 0 | 112.2 | A174 M175 S176 K181 A182 | A174-L178 WeakPolarHBondContact O-CB 3.42Å; A174-L178 WeakPolarHBondContact O-CG 3.44Å; A174-L178 PolarHBondContact O-N 3.49Å; M175-L178 PolarHBondContact O-N 3.37Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 2.99Å; L178-K181 PolarHBondContact O-N 2.88Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 3.35Å |
| 179 | D | 95.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 100 Ų | 100 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.6 | -86.9 | -12.1 | 0 | 0 | 0 | 111.9 | M175 S176 A182 K183 | M175-D179 PolarHBondContact O-N 3.4Å; S176-D179 PolarHBondContact O-N 2.83Å; D179-A182 PolarHBondContact O-N 3.37Å; D179-K183 VanDerWaalsContact O-CG 3.31Å; D179-K183 WeakPolarHBondContact O-CG 3.36Å; D179-K183 PolarHBondContact O-N 3.48Å |
| 180 | E | 95.1 | Very high | 94.4 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 173.6 | -76.1 | 178.8 | -173.4 | 0 | 0 | 111.5 | S176 V177 A182 K183 L184 | S176-E180 WeakPolarHBondContact O-CB 3.35Å; S176-E180 WeakPolarHBondContact O-CG 3.42Å; S176-E180 PolarHBondContact O-N 2.98Å; V177-E180 PolarHBondContact O-N 3.45Å; E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 2.87Å; E180-K183 PolarHBondContact O-N 3.43Å; E180-L184 WeakPolarHBondContact O-CB 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.37Å; E180-L184 PolarHBondContact O-N 2.79Å |
| 181 | K | 95.7 | Very high | 94.2 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -46 | 174 | -178.9 | -174.6 | 171.3 | -172.6 | 0 | 110.9 | V177 L178 K183 L184 E185 | V177-K181 VanDerWaalsContact O-CB 3.24Å; V177-K181 WeakPolarHBondContact O-CB 3.33Å; V177-K181 PolarHBondContact O-N 2.93Å; L178-K181 PolarHBondContact O-N 2.88Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K181-K183 PolarHBondContact O-N 3.3Å; K181-L184 PolarHBondContact O-N 3.42Å; K181-E185 WeakPolarHBondContact CE-OE1 3.27Å; K181-E185 IonicContact NZ-OE1 3.81Å; K181-E185 WeakPolarHBondContact O-CB 3.39Å; K181-E185 WeakPolarHBondContact O-CG 3.35Å; K181-E185 PolarHBondContact O-N 2.79Å |
| 182 | A | 94.6 | Very high | 94 | Very high | 31 Ų | 31 | 101 Ų | 101 | 26% | 0.256 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L178 D179 E180 R186 | L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 3.35Å; D179-A182 PolarHBondContact O-N 3.37Å; E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 2.87Å; A182-R186 WeakPolarHBondContact O-CG 3.26Å; A182-R186 PolarHBondContact O-N 2.78Å; A182-R186 VanDerWaalsContact O-N 3.12Å |
| 183 | K | 95.4 | Very high | 93.6 | Very high | 127 Ų | 127 | 104.5 Ų | 104.5 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 173.3 | -73.5 | 170.5 | -175 | 171.9 | 0 | 111.3 | D179 E180 K181 E185 R186 T187 | D179-K183 VanDerWaalsContact O-CG 3.31Å; D179-K183 WeakPolarHBondContact O-CG 3.36Å; D179-K183 PolarHBondContact O-N 3.48Å; E180-K183 PolarHBondContact O-N 3.43Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K181-K183 PolarHBondContact O-N 3.3Å; K183-E185 VanDerWaalsContact C-N 3.34Å; K183-E185 PolarHBondContact O-N 2.85Å; K183-R186 WeakPolarHBondContact O-CB 3.13Å; K183-R186 PolarHBondContact O-N 3.36Å; K183-T187 WeakPolarHBondContact O-CG2 3.46Å; K183-T187 PolarHBondContact O-N 2.73Å; K183-T187 PolarHBondContact O-OG1 2.94Å |
| 184 | L | 93.6 | Very high | 93.1 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -38.6 | 177.9 | -72.5 | 171.7 | 0 | 0 | 0 | 112.2 | E180 K181 R186 T187 L188 | E180-L184 WeakPolarHBondContact O-CB 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.37Å; E180-L184 PolarHBondContact O-N 2.79Å; K181-L184 PolarHBondContact O-N 3.42Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 2.72Å; L184-T187 WeakPolarHBondContact CA-OG1 3.43Å; L184-T187 PolarHBondContact O-N 2.73Å; L184-T187 PolarHBondContact O-OG1 3.3Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 PolarHBondContact O-N 2.99Å |
| 185 | E | 93.8 | Very high | 92.7 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 174.1 | -79.6 | -179.8 | 179 | 0 | 0 | 112 | K181 K183 K189 | K181-E185 WeakPolarHBondContact CE-OE1 3.27Å; K181-E185 IonicContact NZ-OE1 3.81Å; K181-E185 WeakPolarHBondContact O-CB 3.39Å; K181-E185 WeakPolarHBondContact O-CG 3.35Å; K181-E185 PolarHBondContact O-N 2.79Å; K183-E185 VanDerWaalsContact C-N 3.34Å; K183-E185 PolarHBondContact O-N 2.85Å; E185-K189 WeakPolarHBondContact O-CG 3.16Å; E185-K189 PolarHBondContact O-N 3.15Å |
| 186 | R | 93.9 | Very high | 92 | Very high | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -49.2 | 174 | -71.3 | 177.5 | -159.4 | 139 | 5.4 | 111.5 | A182 K183 L184 L188 K189 D190 | A182-R186 WeakPolarHBondContact O-CG 3.26Å; A182-R186 PolarHBondContact O-N 2.78Å; A182-R186 VanDerWaalsContact O-N 3.12Å; K183-R186 WeakPolarHBondContact O-CB 3.13Å; K183-R186 PolarHBondContact O-N 3.36Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 2.72Å; R186-L188 VanDerWaalsContact C-N 3.27Å; R186-L188 PolarHBondContact O-N 3.05Å; R186-K189 PolarHBondContact O-N 3.31Å; R186-D190 PolarHBondContact O-N 3.37Å |
| 187 | T | 94.3 | Very high | 91.4 | Very high | 71 Ų | 71 | 103.2 Ų | 103.2 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | K183 L184 D190 L191 | K183-T187 WeakPolarHBondContact O-CG2 3.46Å; K183-T187 PolarHBondContact O-N 2.73Å; K183-T187 PolarHBondContact O-OG1 2.94Å; L184-T187 WeakPolarHBondContact CA-OG1 3.43Å; L184-T187 PolarHBondContact O-N 2.73Å; L184-T187 PolarHBondContact O-OG1 3.3Å; T187-D190 PolarHBondContact O-N 3.48Å; T187-L191 WeakPolarHBondContact O-CB 3.15Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 2.94Å |
| 188 | L | 92.6 | Very high | 90.6 | Very high | 96 Ų | 96 | 105.5 Ų | 105.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.8 | -171.2 | 140.3 | 0 | 0 | 0 | 111.8 | L184 R186 L191 Q192 | L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 PolarHBondContact O-N 2.99Å; R186-L188 VanDerWaalsContact C-N 3.27Å; R186-L188 PolarHBondContact O-N 3.05Å; L188-L191 PolarHBondContact O-N 3.27Å; L188-Q192 HydrophobicContact CD2-CG 4.37Å; L188-Q192 WeakPolarHBondContact O-CB 3.42Å; L188-Q192 WeakPolarHBondContact O-CG 3.37Å; L188-Q192 PolarHBondContact O-N 3Å |
| 189 | K | 92.7 | Very high | 90 | Very high | 145 Ų | 145 | 107.7 Ų | 107.7 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 172.3 | -80.5 | -178 | 178.6 | 179.2 | 0 | 112.3 | E185 R186 Q192 R193 | E185-K189 WeakPolarHBondContact O-CG 3.16Å; E185-K189 PolarHBondContact O-N 3.15Å; R186-K189 PolarHBondContact O-N 3.31Å; K189-Q192 PolarHBondContact O-N 3.23Å; K189-R193 WeakPolarHBondContact O-CB 3.37Å; K189-R193 PolarHBondContact O-N 3.34Å |
| 190 | D | 91.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 108.2 Ų | 108.2 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 177.9 | -73.1 | -28.7 | 0 | 0 | 0 | 111.8 | R186 T187 R193 T194 | R186-D190 PolarHBondContact O-N 3.37Å; T187-D190 PolarHBondContact O-N 3.48Å; D190-R193 PolarHBondContact O-N 3.39Å; D190-R193 IonicContact OD1-NH2 3.93Å; D190-T194 WeakPolarHBondContact O-CG2 3.26Å; D190-T194 PolarHBondContact O-N 3.37Å; D190-T194 PolarHBondContact O-OG1 2.76Å |
| 191 | L | 90.1 | Very high | 88.6 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 173.1 | -81.3 | 164.9 | 0 | 0 | 0 | 111.7 | T187 L188 R193 T194 Q195 | T187-L191 WeakPolarHBondContact O-CB 3.15Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 2.94Å; L188-L191 PolarHBondContact O-N 3.27Å; L191-R193 VanDerWaalsContact C-N 3.32Å; L191-R193 PolarHBondContact O-N 2.94Å; L191-T194 WeakPolarHBondContact CA-OG1 3.39Å; L191-T194 PolarHBondContact O-N 3.25Å; L191-T194 PolarHBondContact O-OG1 3.44Å; L191-Q195 WeakPolarHBondContact O-CB 3.43Å; L191-Q195 PolarHBondContact O-N 3.1Å |
| 192 | Q | 89.4 | Confident | 87.8 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 175 | -77.8 | 178.5 | -20.8 | 0 | 0 | 112 | L188 K189 G196 | L188-Q192 HydrophobicContact CD2-CG 4.37Å; L188-Q192 WeakPolarHBondContact O-CB 3.42Å; L188-Q192 WeakPolarHBondContact O-CG 3.37Å; L188-Q192 PolarHBondContact O-N 3Å; K189-Q192 PolarHBondContact O-N 3.23Å; Q192-G196 PolarHBondContact O-N 2.71Å |
| 193 | R | 88.8 | Confident | 87.2 | Confident | 152 Ų | 152 | 106.1 Ų | 106.1 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -49.9 | 175.9 | -174.3 | 179 | 63.7 | 172.8 | -3.4 | 111.4 | K189 D190 L191 Q195 G196 E197 | K189-R193 WeakPolarHBondContact O-CB 3.37Å; K189-R193 PolarHBondContact O-N 3.34Å; D190-R193 PolarHBondContact O-N 3.39Å; D190-R193 IonicContact OD1-NH2 3.93Å; L191-R193 VanDerWaalsContact C-N 3.32Å; L191-R193 PolarHBondContact O-N 2.94Å; R193-Q195 VanDerWaalsContact C-N 3.33Å; R193-Q195 PolarHBondContact O-N 3.32Å; R193-G196 PolarHBondContact O-N 3.42Å; R193-G196 VanDerWaalsContact O-N 3.14Å; R193-E197 HydrophobicContact CG-CG 4.46Å; R193-E197 WeakPolarHBondContact CG-OE1 3.2Å; R193-E197 IonicContact NE-OE1 2.69Å; R193-E197 WeakPolarHBondContact O-CB 3.15Å; R193-E197 WeakPolarHBondContact O-CG 3.35Å; R193-E197 PolarHBondContact O-N 3.25Å |
| 194 | T | 85.3 | Confident | 86.6 | Confident | 57 Ų | 57 | 103.5 Ų | 103.5 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 179.2 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | D190 L191 E197 Q198 | D190-T194 WeakPolarHBondContact O-CG2 3.26Å; D190-T194 PolarHBondContact O-N 3.37Å; D190-T194 PolarHBondContact O-OG1 2.76Å; L191-T194 WeakPolarHBondContact CA-OG1 3.39Å; L191-T194 PolarHBondContact O-N 3.25Å; L191-T194 PolarHBondContact O-OG1 3.44Å; T194-E197 PolarHBondContact O-N 2.96Å; T194-Q198 VanDerWaalsContact O-CB 3.31Å; T194-Q198 WeakPolarHBondContact O-CB 3.29Å; T194-Q198 VanDerWaalsContact O-CG 3.31Å; T194-Q198 WeakPolarHBondContact O-CG 3.48Å; T194-Q198 PolarHBondContact O-N 2.97Å |
| 195 | Q | 84.5 | Confident | 86.1 | Confident | 135 Ų | 135 | 104.3 Ų | 104.3 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 171.8 | -172.6 | -178.4 | 30 | 0 | 0 | 111.5 | L191 R193 Q198 K199 | L191-Q195 WeakPolarHBondContact O-CB 3.43Å; L191-Q195 PolarHBondContact O-N 3.1Å; R193-Q195 VanDerWaalsContact C-N 3.33Å; R193-Q195 PolarHBondContact O-N 3.32Å; Q195-Q198 PolarHBondContact O-N 3.46Å; Q195-K199 VanDerWaalsContact O-CB 3.25Å; Q195-K199 WeakPolarHBondContact O-CB 3.48Å; Q195-K199 PolarHBondContact O-N 2.77Å |
| 196 | G | 80.8 | Confident | 85.8 | Confident | 32 Ų | 32 | 105.5 Ų | 105.5 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q192 R193 K199 L200 | Q192-G196 PolarHBondContact O-N 2.71Å; R193-G196 PolarHBondContact O-N 3.42Å; R193-G196 VanDerWaalsContact O-N 3.14Å; G196-K199 PolarHBondContact O-N 2.98Å; G196-L200 WeakPolarHBondContact O-CB 3.34Å; G196-L200 VanDerWaalsContact O-CG 3.3Å; G196-L200 WeakPolarHBondContact O-CG 3.21Å; G196-L200 PolarHBondContact O-N 3.33Å |
| 197 | E | 82.4 | Confident | 85.4 | Confident | 104 Ų | 104 | 101.3 Ų | 101.3 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.2 | -72.6 | 169.4 | -176.6 | 0 | 0 | 112.1 | R193 T194 L200 S201 | R193-E197 HydrophobicContact CG-CG 4.46Å; R193-E197 WeakPolarHBondContact CG-OE1 3.2Å; R193-E197 IonicContact NE-OE1 2.69Å; R193-E197 WeakPolarHBondContact O-CB 3.15Å; R193-E197 WeakPolarHBondContact O-CG 3.35Å; R193-E197 PolarHBondContact O-N 3.25Å; T194-E197 PolarHBondContact O-N 2.96Å; E197-L200 PolarHBondContact O-N 3.43Å; E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.34Å; E197-S201 PolarHBondContact O-N 3.17Å |
| 198 | Q | 78 | Confident | 85.1 | Confident | 140 Ų | 140 | 101.5 Ų | 101.5 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 174.9 | -79.8 | -179.3 | -3.6 | 0 | 0 | 112 | T194 Q195 S201 A202 | T194-Q198 VanDerWaalsContact O-CB 3.31Å; T194-Q198 WeakPolarHBondContact O-CB 3.29Å; T194-Q198 VanDerWaalsContact O-CG 3.31Å; T194-Q198 WeakPolarHBondContact O-CG 3.48Å; T194-Q198 PolarHBondContact O-N 2.97Å; Q195-Q198 PolarHBondContact O-N 3.46Å; Q198-S201 PolarHBondContact O-N 3.25Å; Q198-A202 VanDerWaalsContact O-CB 3.31Å; Q198-A202 WeakPolarHBondContact O-CB 3.4Å; Q198-A202 PolarHBondContact O-N 3.44Å |
| 199 | K | 82.7 | Confident | 85 | Confident | 155 Ų | 155 | 101.8 Ų | 101.8 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 177.2 | -169.8 | 176.4 | -178.5 | -178.9 | 0 | 111.1 | Q195 G196 A202 Q203 | Q195-K199 VanDerWaalsContact O-CB 3.25Å; Q195-K199 WeakPolarHBondContact O-CB 3.48Å; Q195-K199 PolarHBondContact O-N 2.77Å; G196-K199 PolarHBondContact O-N 2.98Å; K199-A202 PolarHBondContact O-N 3.26Å; K199-Q203 VanDerWaalsContact O-CB 3.25Å; K199-Q203 WeakPolarHBondContact O-CB 3.2Å; K199-Q203 PolarHBondContact O-N 2.89Å |
| 200 | L | 79.6 | Confident | 84.8 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 172.9 | -76 | 166.2 | 0 | 0 | 0 | 111 | G196 E197 A202 Q203 T204 | G196-L200 WeakPolarHBondContact O-CB 3.34Å; G196-L200 VanDerWaalsContact O-CG 3.3Å; G196-L200 WeakPolarHBondContact O-CG 3.21Å; G196-L200 PolarHBondContact O-N 3.33Å; E197-L200 PolarHBondContact O-N 3.43Å; L200-A202 PolarHBondContact O-N 3.13Å; L200-Q203 PolarHBondContact O-N 3.13Å; L200-T204 WeakPolarHBondContact O-CB 3.18Å; L200-T204 PolarHBondContact O-N 2.97Å; L200-T204 PolarHBondContact O-OG1 2.71Å |
| 201 | S | 80 | Confident | 84.6 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | E197 Q198 T204 K205 | E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.34Å; E197-S201 PolarHBondContact O-N 3.17Å; Q198-S201 PolarHBondContact O-N 3.25Å; S201-T204 PolarHBondContact O-N 2.95Å; S201-K205 WeakPolarHBondContact O-CB 3.18Å; S201-K205 WeakPolarHBondContact O-CG 3.14Å; S201-K205 PolarHBondContact O-N 3.4Å |
| 202 | A | 79.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 101.6 Ų | 101.6 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q198 K199 L200 K205 E206 | Q198-A202 VanDerWaalsContact O-CB 3.31Å; Q198-A202 WeakPolarHBondContact O-CB 3.4Å; Q198-A202 PolarHBondContact O-N 3.44Å; K199-A202 PolarHBondContact O-N 3.26Å; L200-A202 PolarHBondContact O-N 3.13Å; A202-K205 PolarHBondContact O-N 3.29Å; A202-E206 PolarHBondContact O-N 3.15Å |
| 203 | Q | 82.9 | Confident | 84.7 | Confident | 100 Ų | 100 | 99.5 Ų | 99.5 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.8 | -168.2 | 175.6 | 4.8 | 0 | 0 | 111.9 | K199 L200 K205 E206 I207 | K199-Q203 VanDerWaalsContact O-CB 3.25Å; K199-Q203 WeakPolarHBondContact O-CB 3.2Å; K199-Q203 PolarHBondContact O-N 2.89Å; L200-Q203 PolarHBondContact O-N 3.13Å; Q203-K205 VanDerWaalsContact C-N 3.35Å; Q203-E206 PolarHBondContact O-N 2.94Å; Q203-I207 HydrophobicContact CG-CD1 4.14Å; Q203-I207 WeakPolarHBondContact O-CB 3.28Å; Q203-I207 WeakPolarHBondContact O-CG1 3.39Å; Q203-I207 PolarHBondContact O-N 3.18Å |
| 204 | T | 82.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 172.9 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | L200 S201 I207 N208 | L200-T204 WeakPolarHBondContact O-CB 3.18Å; L200-T204 PolarHBondContact O-N 2.97Å; L200-T204 PolarHBondContact O-OG1 2.71Å; S201-T204 PolarHBondContact O-N 2.95Å; T204-I207 PolarHBondContact O-N 2.96Å; T204-N208 WeakPolarHBondContact O-CB 3.37Å; T204-N208 PolarHBondContact O-N 2.95Å; T204-N208 PolarHBondContact O-OD1 3.22Å |
| 205 | K | 83.5 | Confident | 85 | Confident | 134 Ų | 134 | 96 Ų | 96 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 175 | -74.9 | 177.2 | -177.2 | -177.9 | 0 | 112.1 | S201 A202 Q203 N208 N209 | S201-K205 WeakPolarHBondContact O-CB 3.18Å; S201-K205 WeakPolarHBondContact O-CG 3.14Å; S201-K205 PolarHBondContact O-N 3.4Å; A202-K205 PolarHBondContact O-N 3.29Å; Q203-K205 VanDerWaalsContact C-N 3.35Å; K205-N208 PolarHBondContact O-N 3.14Å; K205-N209 WeakPolarHBondContact O-CB 3.35Å; K205-N209 PolarHBondContact O-N 3.03Å; K205-N209 PolarHBondContact O-ND2 2.87Å; K205-N209 PolarHBondContact O-OD1 3.29Å |
| 206 | E | 85.6 | Confident | 85.3 | Confident | 128 Ų | 128 | 92 Ų | 92 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 174.2 | -79.2 | -179.9 | 172.2 | 0 | 0 | 111.7 | A202 Q203 N209 L210 | A202-E206 PolarHBondContact O-N 3.15Å; Q203-E206 PolarHBondContact O-N 2.94Å; E206-N209 PolarHBondContact O-N 3.4Å; E206-L210 WeakPolarHBondContact O-CB 3.5Å; E206-L210 VanDerWaalsContact O-CG 3.27Å; E206-L210 WeakPolarHBondContact O-CG 3.11Å; E206-L210 PolarHBondContact O-N 3.43Å |
| 207 | I | 85.6 | Confident | 85.8 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 38% | 0.379 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 175.5 | -70.9 | 165.4 | 0 | 0 | 0 | 110.3 | Q203 T204 N209 L210 E211 | Q203-I207 HydrophobicContact CG-CD1 4.14Å; Q203-I207 WeakPolarHBondContact O-CB 3.28Å; Q203-I207 WeakPolarHBondContact O-CG1 3.39Å; Q203-I207 PolarHBondContact O-N 3.18Å; T204-I207 PolarHBondContact O-N 2.96Å; I207-N209 VanDerWaalsContact C-N 3.34Å; I207-N209 PolarHBondContact O-N 2.83Å; I207-L210 CarbonylContact O-C 3.59Å; I207-L210 WeakPolarHBondContact O-CB 3.47Å; I207-L210 PolarHBondContact O-N 2.93Å; I207-L210 VanDerWaalsContact O-N 3.13Å; I207-E211 HydrophobicContact CG2-CG 4.27Å; I207-E211 WeakPolarHBondContact O-CB 3.38Å; I207-E211 WeakPolarHBondContact O-CG 3.4Å; I207-E211 PolarHBondContact O-N 3.49Å |
| 208 | N | 88.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 94.7 Ų | 94.7 | 40% | 0.401 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 178.6 | -68.7 | 0.2 | 0 | 0 | 0 | 111.7 | T204 K205 L210 E211 D212 | T204-N208 WeakPolarHBondContact O-CB 3.37Å; T204-N208 PolarHBondContact O-N 2.95Å; T204-N208 PolarHBondContact O-OD1 3.22Å; K205-N208 PolarHBondContact O-N 3.14Å; N208-L210 VanDerWaalsContact C-N 3.31Å; N208-L210 PolarHBondContact O-N 3.49Å; N208-E211 PolarHBondContact O-N 3.37Å; N208-D212 PolarHBondContact O-N 3.25Å |
| 209 | N | 90.1 | Very high | 86.9 | Confident | 102 Ų | 102 | 92.6 Ų | 92.6 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.9 | -69.7 | -17.4 | 0 | 0 | 0 | 111.4 | K205 E206 I207 D212 T213 | K205-N209 WeakPolarHBondContact O-CB 3.35Å; K205-N209 PolarHBondContact O-N 3.03Å; K205-N209 PolarHBondContact O-ND2 2.87Å; K205-N209 PolarHBondContact O-OD1 3.29Å; E206-N209 PolarHBondContact O-N 3.4Å; I207-N209 VanDerWaalsContact C-N 3.34Å; I207-N209 PolarHBondContact O-N 2.83Å; N209-D212 PolarHBondContact O-N 3.39Å; N209-T213 WeakPolarHBondContact O-CG2 3.1Å; N209-T213 PolarHBondContact O-N 2.69Å; N209-T213 PolarHBondContact O-OG1 2.96Å |
| 210 | L | 88.8 | Confident | 87.2 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 175.6 | -75.5 | 168.4 | 0 | 0 | 0 | 111 | E206 I207 N208 D212 T213 V214 | E206-L210 WeakPolarHBondContact O-CB 3.5Å; E206-L210 VanDerWaalsContact O-CG 3.27Å; E206-L210 WeakPolarHBondContact O-CG 3.11Å; E206-L210 PolarHBondContact O-N 3.43Å; I207-L210 CarbonylContact O-C 3.59Å; I207-L210 WeakPolarHBondContact O-CB 3.47Å; I207-L210 PolarHBondContact O-N 2.93Å; I207-L210 VanDerWaalsContact O-N 3.13Å; N208-L210 VanDerWaalsContact C-N 3.31Å; N208-L210 PolarHBondContact O-N 3.49Å; L210-D212 VanDerWaalsContact C-N 3.34Å; L210-D212 PolarHBondContact O-N 3.4Å; L210-T213 WeakPolarHBondContact CA-OG1 3.25Å; L210-T213 PolarHBondContact O-N 3.24Å; L210-T213 PolarHBondContact O-OG1 2.95Å; L210-V214 WeakPolarHBondContact O-CB 3.29Å; L210-V214 VanDerWaalsContact O-CG2 3.27Å; L210-V214 WeakPolarHBondContact O-CG2 3.09Å; L210-V214 PolarHBondContact O-N 3.36Å |
| 211 | E | 88 | Confident | 87.7 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 174.4 | -74.1 | 176.5 | 172.6 | 0 | 0 | 111.3 | I207 N208 T213 V214 A215 | I207-E211 HydrophobicContact CG2-CG 4.27Å; I207-E211 WeakPolarHBondContact O-CB 3.38Å; I207-E211 WeakPolarHBondContact O-CG 3.4Å; I207-E211 PolarHBondContact O-N 3.49Å; N208-E211 PolarHBondContact O-N 3.37Å; E211-T213 PolarHBondContact O-N 3.01Å; E211-V214 PolarHBondContact O-N 2.96Å; E211-A215 WeakPolarHBondContact O-CB 3.47Å; E211-A215 PolarHBondContact O-N 2.98Å |
| 212 | D | 91.1 | Very high | 88.2 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 175.8 | -72.9 | -22.1 | 0 | 0 | 0 | 111.8 | N208 N209 L210 A215 A216 | N208-D212 PolarHBondContact O-N 3.25Å; N209-D212 PolarHBondContact O-N 3.39Å; L210-D212 VanDerWaalsContact C-N 3.34Å; L210-D212 PolarHBondContact O-N 3.4Å; D212-A215 PolarHBondContact O-N 3.07Å; D212-A216 WeakPolarHBondContact O-CB 3.4Å; D212-A216 PolarHBondContact O-N 2.81Å |
| 213 | T | 90.3 | Very high | 88.7 | Confident | 75 Ų | 75 | 99.7 Ų | 99.7 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | N209 L210 E211 L217 | N209-T213 WeakPolarHBondContact O-CG2 3.1Å; N209-T213 PolarHBondContact O-N 2.69Å; N209-T213 PolarHBondContact O-OG1 2.96Å; L210-T213 WeakPolarHBondContact CA-OG1 3.25Å; L210-T213 PolarHBondContact O-N 3.24Å; L210-T213 PolarHBondContact O-OG1 2.95Å; E211-T213 PolarHBondContact O-N 3.01Å; T213-L217 WeakPolarHBondContact O-CB 3.47Å; T213-L217 VanDerWaalsContact O-CG 3.25Å; T213-L217 WeakPolarHBondContact O-CG 3.02Å; T213-L217 PolarHBondContact O-N 3.35Å |
| 214 | V | 89.3 | Confident | 89 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | L210 E211 L217 T218 | L210-V214 WeakPolarHBondContact O-CB 3.29Å; L210-V214 VanDerWaalsContact O-CG2 3.27Å; L210-V214 WeakPolarHBondContact O-CG2 3.09Å; L210-V214 PolarHBondContact O-N 3.36Å; E211-V214 PolarHBondContact O-N 2.96Å; V214-L217 PolarHBondContact O-N 3.19Å; V214-T218 PolarHBondContact O-N 2.73Å; V214-T218 PolarHBondContact O-OG1 3.18Å |
| 215 | A | 91.4 | Very high | 89.3 | Confident | 51 Ų | 51 | 98.9 Ų | 98.9 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E211 D212 L217 T218 E219 | E211-A215 WeakPolarHBondContact O-CB 3.47Å; E211-A215 PolarHBondContact O-N 2.98Å; D212-A215 PolarHBondContact O-N 3.07Å; A215-L217 PolarHBondContact O-N 3.35Å; A215-T218 VanDerWaalsContact C-OG1 3.31Å; A215-T218 VanDerWaalsContact CA-OG1 3.25Å; A215-T218 WeakPolarHBondContact CA-OG1 3.35Å; A215-T218 PolarHBondContact O-N 2.95Å; A215-T218 PolarHBondContact O-OG1 3.45Å; A215-E219 PolarHBondContact O-N 2.71Å |
| 216 | A | 91.1 | Very high | 89.6 | Confident | 49 Ų | 49 | 95.6 Ų | 95.6 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D212 T218 E219 D220 | D212-A216 WeakPolarHBondContact O-CB 3.4Å; D212-A216 PolarHBondContact O-N 2.81Å; A216-T218 PolarHBondContact O-N 3Å; A216-E219 PolarHBondContact O-N 2.89Å; A216-D220 WeakPolarHBondContact O-CB 3.45Å; A216-D220 PolarHBondContact O-N 3.4Å |
| 217 | L | 90.9 | Very high | 89.7 | Confident | 120 Ų | 120 | 92 Ų | 92 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -39.7 | 175.9 | -77.1 | 171.4 | 0 | 0 | 0 | 112.4 | T213 V214 A215 Y221 | T213-L217 WeakPolarHBondContact O-CB 3.47Å; T213-L217 VanDerWaalsContact O-CG 3.25Å; T213-L217 WeakPolarHBondContact O-CG 3.02Å; T213-L217 PolarHBondContact O-N 3.35Å; V214-L217 PolarHBondContact O-N 3.19Å; A215-L217 PolarHBondContact O-N 3.35Å; L217-Y221 VanDerWaalsContact O-CB 3.24Å; L217-Y221 WeakPolarHBondContact O-CB 3.48Å; L217-Y221 PolarHBondContact O-N 3.22Å |
| 218 | T | 90.8 | Very high | 89.8 | Confident | 74 Ų | 74 | 92.9 Ų | 92.9 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.4 | 36.6 | 0 | 0 | 0 | 0 | 111.8 | V214 A215 A216 Y221 E222 | V214-T218 PolarHBondContact O-N 2.73Å; V214-T218 PolarHBondContact O-OG1 3.18Å; A215-T218 VanDerWaalsContact C-OG1 3.31Å; A215-T218 VanDerWaalsContact CA-OG1 3.25Å; A215-T218 WeakPolarHBondContact CA-OG1 3.35Å; A215-T218 PolarHBondContact O-N 2.95Å; A215-T218 PolarHBondContact O-OG1 3.45Å; A216-T218 PolarHBondContact O-N 3Å; T218-Y221 PolarHBondContact O-N 3.43Å; T218-E222 WeakPolarHBondContact O-CG 2.89Å; T218-E222 PolarHBondContact O-N 3.03Å |
| 219 | E | 91.6 | Very high | 89.9 | Confident | 96 Ų | 96 | 95.1 Ų | 95.1 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.9 | -170.8 | -178.7 | 179.5 | 0 | 0 | 111.4 | A215 A216 Y221 E222 R223 | A215-E219 PolarHBondContact O-N 2.71Å; A216-E219 PolarHBondContact O-N 2.89Å; E219-Y221 VanDerWaalsContact C-N 3.31Å; E219-Y221 PolarHBondContact O-N 3.38Å; E219-E222 PolarHBondContact O-N 2.96Å; E219-R223 WeakPolarHBondContact O-CB 3.25Å; E219-R223 WeakPolarHBondContact O-CG 3.41Å; E219-R223 PolarHBondContact O-N 3.41Å; E219-R223 IonicContact OE1-CZ 3.32Å; E219-R223 IonicContact OE1-NE 3.47Å; E219-R223 PolarHBondContact OE1-NE 2.87Å; E219-R223 IonicContact OE1-NH2 2.65Å; E219-R223 PolarHBondContact OE1-NH2 3.21Å |
| 220 | D | 90.3 | Very high | 89.7 | Confident | 89 Ų | 89 | 93 Ų | 93 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 176 | -84.4 | -11.1 | 0 | 0 | 0 | 112.2 | A216 S224 | A216-D220 WeakPolarHBondContact O-CB 3.45Å; A216-D220 PolarHBondContact O-N 3.4Å; D220-S224 VanDerWaalsContact O-CB 3.29Å; D220-S224 WeakPolarHBondContact O-CB 3.48Å; D220-S224 PolarHBondContact O-N 2.84Å; D220-S224 PolarHBondContact O-OG 3.24Å |
| 221 | Y | 89.4 | Confident | 89.7 | Confident | 159 Ų | 159 | 90.9 Ų | 90.9 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.8 | -44.8 | 174.8 | -175.4 | -101.3 | 0 | 0 | 0 | 111.6 | L217 T218 E219 S224 L225 | L217-Y221 VanDerWaalsContact O-CB 3.24Å; L217-Y221 WeakPolarHBondContact O-CB 3.48Å; L217-Y221 PolarHBondContact O-N 3.22Å; T218-Y221 PolarHBondContact O-N 3.43Å; E219-Y221 VanDerWaalsContact C-N 3.31Å; E219-Y221 PolarHBondContact O-N 3.38Å; Y221-S224 PolarHBondContact O-N 3.1Å; Y221-L225 WeakPolarHBondContact O-CB 3.22Å; Y221-L225 PolarHBondContact O-N 3.15Å |
| 222 | E | 89.9 | Confident | 89.6 | Confident | 132 Ų | 132 | 90.1 Ų | 90.1 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 175.4 | -77.1 | -177.2 | 173.5 | 0 | 0 | 112.3 | T218 E219 S224 L225 S226 | T218-E222 WeakPolarHBondContact O-CG 2.89Å; T218-E222 PolarHBondContact O-N 3.03Å; E219-E222 PolarHBondContact O-N 2.96Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-L225 PolarHBondContact O-N 3.23Å; E222-S226 WeakPolarHBondContact O-CB 3.49Å; E222-S226 PolarHBondContact O-N 2.89Å; E222-S226 PolarHBondContact O-OG 3.39Å |
| 223 | R | 90.7 | Very high | 89.6 | Confident | 142 Ų | 142 | 92 Ų | 92 | 54% | 0.536 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 172.3 | -75.1 | 177.1 | -175.8 | -179.2 | 2.3 | 111.6 | E219 S226 A227 | E219-R223 WeakPolarHBondContact O-CB 3.25Å; E219-R223 WeakPolarHBondContact O-CG 3.41Å; E219-R223 PolarHBondContact O-N 3.41Å; E219-R223 IonicContact OE1-CZ 3.32Å; E219-R223 IonicContact OE1-NE 3.47Å; E219-R223 PolarHBondContact OE1-NE 2.87Å; E219-R223 IonicContact OE1-NH2 2.65Å; E219-R223 PolarHBondContact OE1-NH2 3.21Å; R223-S226 WeakPolarHBondContact CA-OG 2.82Å; R223-S226 PolarHBondContact O-OG 3.32Å; R223-A227 VanDerWaalsContact O-CB 3.28Å; R223-A227 WeakPolarHBondContact O-CB 3.24Å; R223-A227 PolarHBondContact O-N 2.94Å |
| 224 | S | 89.3 | Confident | 89.5 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 177.7 | -62 | 0 | 0 | 0 | 0 | 111.7 | D220 Y221 E222 N228 | D220-S224 VanDerWaalsContact O-CB 3.29Å; D220-S224 WeakPolarHBondContact O-CB 3.48Å; D220-S224 PolarHBondContact O-N 2.84Å; D220-S224 PolarHBondContact O-OG 3.24Å; Y221-S224 PolarHBondContact O-N 3.1Å; E222-S224 VanDerWaalsContact C-N 3.34Å; S224-N228 VanDerWaalsContact O-CB 3.28Å; S224-N228 WeakPolarHBondContact O-CB 3.45Å; S224-N228 PolarHBondContact O-N 3.01Å |
| 225 | L | 89.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 96.6 Ų | 96.6 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -50.1 | 176.8 | -166.7 | 82.6 | 0 | 0 | 0 | 110.7 | Y221 E222 A227 N228 E229 | Y221-L225 WeakPolarHBondContact O-CB 3.22Å; Y221-L225 PolarHBondContact O-N 3.15Å; E222-L225 PolarHBondContact O-N 3.23Å; L225-A227 PolarHBondContact O-N 3.43Å; L225-N228 PolarHBondContact O-N 3.45Å; L225-N228 VanDerWaalsContact O-N 3.16Å; L225-E229 WeakPolarHBondContact O-CG 3.24Å; L225-E229 PolarHBondContact O-N 2.84Å |
| 226 | S | 89.2 | Confident | 89.3 | Confident | 65 Ų | 65 | 100.2 Ų | 100.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.6 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | E222 R223 E229 A230 | E222-S226 WeakPolarHBondContact O-CB 3.49Å; E222-S226 PolarHBondContact O-N 2.89Å; E222-S226 PolarHBondContact O-OG 3.39Å; R223-S226 WeakPolarHBondContact CA-OG 2.82Å; R223-S226 PolarHBondContact O-OG 3.32Å; S226-E229 PolarHBondContact O-N 3.34Å; S226-A230 WeakPolarHBondContact O-CB 3.46Å; S226-A230 PolarHBondContact O-N 3.24Å |
| 227 | A | 88.4 | Confident | 89.2 | Confident | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | R223 L225 A230 T231 | R223-A227 VanDerWaalsContact O-CB 3.28Å; R223-A227 WeakPolarHBondContact O-CB 3.24Å; R223-A227 PolarHBondContact O-N 2.94Å; L225-A227 PolarHBondContact O-N 3.43Å; A227-A230 PolarHBondContact O-N 3.47Å; A227-T231 WeakPolarHBondContact O-CG2 3.46Å; A227-T231 PolarHBondContact O-N 3.13Å; A227-T231 PolarHBondContact O-OG1 3.38Å |
| 228 | N | 87.4 | Confident | 89.1 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 176 | -163 | 9.1 | 0 | 0 | 0 | 111.7 | S224 L225 T231 Q232 | S224-N228 VanDerWaalsContact O-CB 3.28Å; S224-N228 WeakPolarHBondContact O-CB 3.45Å; S224-N228 PolarHBondContact O-N 3.01Å; L225-N228 PolarHBondContact O-N 3.45Å; L225-N228 VanDerWaalsContact O-N 3.16Å; N228-T231 WeakPolarHBondContact CA-OG1 3.49Å; N228-T231 PolarHBondContact O-OG1 2.98Å; N228-Q232 WeakPolarHBondContact O-CB 3.13Å; N228-Q232 WeakPolarHBondContact O-CG 3.02Å; N228-Q232 PolarHBondContact O-N 3.04Å |
| 229 | E | 89.3 | Confident | 89 | Confident | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 172.9 | -75.1 | -178.2 | 169.4 | 0 | 0 | 112 | L225 S226 Q232 K233 | L225-E229 WeakPolarHBondContact O-CG 3.24Å; L225-E229 PolarHBondContact O-N 2.84Å; S226-E229 PolarHBondContact O-N 3.34Å; E229-Q232 PolarHBondContact O-N 3.37Å; E229-K233 WeakPolarHBondContact O-CB 3.25Å; E229-K233 PolarHBondContact O-N 2.97Å |
| 230 | A | 87.1 | Confident | 88.9 | Confident | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S226 A227 K233 E234 | S226-A230 WeakPolarHBondContact O-CB 3.46Å; S226-A230 PolarHBondContact O-N 3.24Å; A227-A230 PolarHBondContact O-N 3.47Å; A230-K233 WeakPolarHBondContact O-CB 3.4Å; A230-K233 PolarHBondContact O-N 2.8Å; A230-K233 VanDerWaalsContact O-N 3.17Å; A230-E234 PolarHBondContact O-N 3.19Å |
| 231 | T | 87.8 | Confident | 88.8 | Confident | 65 Ų | 65 | 103.2 Ų | 103.2 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 177 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | A227 N228 K233 E234 L235 | A227-T231 WeakPolarHBondContact O-CG2 3.46Å; A227-T231 PolarHBondContact O-N 3.13Å; A227-T231 PolarHBondContact O-OG1 3.38Å; N228-T231 WeakPolarHBondContact CA-OG1 3.49Å; N228-T231 PolarHBondContact O-OG1 2.98Å; T231-K233 VanDerWaalsContact C-N 3.31Å; T231-K233 PolarHBondContact O-N 3.12Å; T231-E234 PolarHBondContact O-N 3.35Å; T231-L235 WeakPolarHBondContact O-CB 3.3Å; T231-L235 WeakPolarHBondContact O-CG 3.45Å; T231-L235 PolarHBondContact O-N 3.02Å |
| 232 | Q | 87.4 | Confident | 88.7 | Confident | 101 Ų | 101 | 98 Ų | 98 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 171.7 | -86 | -158.4 | 5.3 | 0 | 0 | 112.2 | N228 E229 K236 | N228-Q232 WeakPolarHBondContact O-CB 3.13Å; N228-Q232 WeakPolarHBondContact O-CG 3.02Å; N228-Q232 PolarHBondContact O-N 3.04Å; E229-Q232 PolarHBondContact O-N 3.37Å; Q232-K236 WeakPolarHBondContact O-CB 3.28Å; Q232-K236 VanDerWaalsContact O-CG 3.28Å; Q232-K236 WeakPolarHBondContact O-CG 3.48Å; Q232-K236 PolarHBondContact O-N 3.11Å |
| 233 | K | 89.1 | Confident | 88.6 | Confident | 149 Ų | 149 | 98.5 Ų | 98.5 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -45.3 | 178 | -170.9 | -179.2 | 177.8 | -174.2 | 0 | 111 | E229 A230 T231 K236 E237 | E229-K233 WeakPolarHBondContact O-CB 3.25Å; E229-K233 PolarHBondContact O-N 2.97Å; A230-K233 WeakPolarHBondContact O-CB 3.4Å; A230-K233 PolarHBondContact O-N 2.8Å; A230-K233 VanDerWaalsContact O-N 3.17Å; T231-K233 VanDerWaalsContact C-N 3.31Å; T231-K233 PolarHBondContact O-N 3.12Å; K233-K236 WeakPolarHBondContact O-CB 3.3Å; K233-K236 PolarHBondContact O-N 2.88Å; K233-E237 PolarHBondContact O-N 2.81Å |
| 234 | E | 88.8 | Confident | 88.6 | Confident | 137 Ų | 137 | 97.9 Ų | 97.9 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 177 | -168.8 | 175.4 | -167.5 | 0 | 0 | 111.9 | A230 T231 K236 E237 S238 | A230-E234 PolarHBondContact O-N 3.19Å; T231-E234 PolarHBondContact O-N 3.35Å; E234-K236 PolarHBondContact O-N 2.95Å; E234-E237 PolarHBondContact O-N 3.47Å; E234-S238 WeakPolarHBondContact O-CB 3.46Å; E234-S238 PolarHBondContact O-N 2.96Å |
| 235 | L | 87.6 | Confident | 88.5 | Confident | 121 Ų | 121 | 100.1 Ų | 100.1 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 173 | -86.8 | 158 | 0 | 0 | 0 | 112.2 | T231 E237 L239 | T231-L235 WeakPolarHBondContact O-CB 3.3Å; T231-L235 WeakPolarHBondContact O-CG 3.45Å; T231-L235 PolarHBondContact O-N 3.02Å; L235-E237 VanDerWaalsContact C-N 3.35Å; L235-L239 VanDerWaalsContact O-CB 3.28Å; L235-L239 WeakPolarHBondContact O-CB 3.45Å; L235-L239 PolarHBondContact O-N 2.96Å |
| 236 | K | 88.4 | Confident | 88.4 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 175.8 | -77.2 | 172.9 | -176.8 | 171.1 | 0 | 111.4 | Q232 K233 E234 L239 I240 | Q232-K236 WeakPolarHBondContact O-CB 3.28Å; Q232-K236 VanDerWaalsContact O-CG 3.28Å; Q232-K236 WeakPolarHBondContact O-CG 3.48Å; Q232-K236 PolarHBondContact O-N 3.11Å; K233-K236 WeakPolarHBondContact O-CB 3.3Å; K233-K236 PolarHBondContact O-N 2.88Å; E234-K236 PolarHBondContact O-N 2.95Å; K236-L239 PolarHBondContact O-N 3.33Å; K236-I240 WeakPolarHBondContact O-CD1 3.41Å; K236-I240 VanDerWaalsContact O-CG1 3.24Å; K236-I240 WeakPolarHBondContact O-CG1 3.47Å; K236-I240 PolarHBondContact O-N 3.43Å |
| 237 | E | 89.3 | Confident | 88.3 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.1 | -42.2 | 178.6 | -169.5 | 164.7 | -166.4 | 0 | 0 | 112.2 | K233 E234 L235 I240 T241 | K233-E237 PolarHBondContact O-N 2.81Å; E234-E237 PolarHBondContact O-N 3.47Å; L235-E237 VanDerWaalsContact C-N 3.35Å; E237-I240 PolarHBondContact O-N 3.29Å; E237-T241 WeakPolarHBondContact O-CB 3.27Å; E237-T241 PolarHBondContact O-N 3.24Å; E237-T241 PolarHBondContact O-OG1 3.25Å |
| 238 | S | 89.2 | Confident | 88.3 | Confident | 73 Ų | 73 | 107.8 Ų | 107.8 | 51% | 0.51 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 171.8 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | E234 I240 T241 A242 | E234-S238 WeakPolarHBondContact O-CB 3.46Å; E234-S238 PolarHBondContact O-N 2.96Å; S238-I240 PolarHBondContact O-N 2.88Å; S238-T241 PolarHBondContact O-N 3.45Å; S238-A242 WeakPolarHBondContact O-CB 3.39Å; S238-A242 PolarHBondContact O-N 3.47Å |
| 239 | L | 89.7 | Confident | 88.3 | Confident | 125 Ų | 125 | 107 Ų | 107 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 176.8 | -175.4 | 73.7 | 0 | 0 | 0 | 111.8 | L235 K236 K243 | L235-L239 VanDerWaalsContact O-CB 3.28Å; L235-L239 WeakPolarHBondContact O-CB 3.45Å; L235-L239 PolarHBondContact O-N 2.96Å; K236-L239 PolarHBondContact O-N 3.33Å; L239-K243 VanDerWaalsContact O-CB 3.29Å; L239-K243 WeakPolarHBondContact O-CB 3.47Å; L239-K243 PolarHBondContact O-N 2.95Å |
| 240 | I | 89.3 | Confident | 88 | Confident | 96 Ų | 96 | 106.8 Ų | 106.8 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.6 | -71.1 | 163.5 | 0 | 0 | 0 | 109.6 | K236 E237 S238 A242 K243 H244 | K236-I240 WeakPolarHBondContact O-CD1 3.41Å; K236-I240 VanDerWaalsContact O-CG1 3.24Å; K236-I240 WeakPolarHBondContact O-CG1 3.47Å; K236-I240 PolarHBondContact O-N 3.43Å; E237-I240 PolarHBondContact O-N 3.29Å; S238-I240 PolarHBondContact O-N 2.88Å; I240-A242 PolarHBondContact O-N 3.48Å; I240-K243 WeakPolarHBondContact O-CB 3.38Å; I240-K243 PolarHBondContact O-N 2.74Å; I240-K243 VanDerWaalsContact O-N 3.16Å; I240-H244 PolarHBondContact O-CD2 3.32Å; I240-H244 PolarHBondContact O-N 3.27Å |
| 241 | T | 88.5 | Confident | 88 | Confident | 71 Ų | 71 | 110 Ų | 110 | 44% | 0.436 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | -179.8 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | E237 S238 K243 H244 E245 | E237-T241 WeakPolarHBondContact O-CB 3.27Å; E237-T241 PolarHBondContact O-N 3.24Å; E237-T241 PolarHBondContact O-OG1 3.25Å; S238-T241 PolarHBondContact O-N 3.45Å; T241-K243 VanDerWaalsContact C-N 3.29Å; T241-K243 PolarHBondContact O-N 2.99Å; T241-H244 WeakPolarHBondContact O-CB 3.35Å; T241-H244 PolarHBondContact O-N 2.97Å; T241-H244 VanDerWaalsContact O-N 3.11Å; T241-E245 PolarHBondContact O-N 3.29Å |
| 242 | A | 86.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 112 Ų | 112 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.8 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S238 I240 E245 L246 | S238-A242 WeakPolarHBondContact O-CB 3.39Å; S238-A242 PolarHBondContact O-N 3.47Å; I240-A242 PolarHBondContact O-N 3.48Å; A242-E245 PolarHBondContact O-N 2.98Å; A242-L246 VanDerWaalsContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CB 3.37Å; A242-L246 PolarHBondContact O-N 2.99Å |
| 243 | K | 88.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 111.5 Ų | 111.5 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 174.2 | -173.6 | -179.4 | -179.9 | -179.7 | 0 | 111.8 | L239 I240 T241 L246 L247 | L239-K243 VanDerWaalsContact O-CB 3.29Å; L239-K243 WeakPolarHBondContact O-CB 3.47Å; L239-K243 PolarHBondContact O-N 2.95Å; I240-K243 WeakPolarHBondContact O-CB 3.38Å; I240-K243 PolarHBondContact O-N 2.74Å; I240-K243 VanDerWaalsContact O-N 3.16Å; T241-K243 VanDerWaalsContact C-N 3.29Å; T241-K243 PolarHBondContact O-N 2.99Å; K243-L246 PolarHBondContact O-N 3.28Å; K243-L247 HydrophobicContact CG-CD1 4.48Å; K243-L247 WeakPolarHBondContact O-CG 3.4Å; K243-L247 PolarHBondContact O-N 3.07Å |
| 244 | H | 89.2 | Confident | 87.5 | Confident | 128 Ų | 128 | 106.5 Ų | 106.5 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 174.4 | -81.5 | -80.7 | 0 | 0 | 0 | 112 | I240 T241 L247 R248 | I240-H244 PolarHBondContact O-CD2 3.32Å; I240-H244 PolarHBondContact O-N 3.27Å; T241-H244 WeakPolarHBondContact O-CB 3.35Å; T241-H244 PolarHBondContact O-N 2.97Å; T241-H244 VanDerWaalsContact O-N 3.11Å; H244-L247 PolarHBondContact O-N 3.49Å; H244-R248 WeakPolarHBondContact O-CB 3.44Å; H244-R248 PolarHBondContact O-N 2.97Å |
| 245 | E | 87.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 175 | -74.6 | -174.2 | 161.5 | 0 | 0 | 112.1 | T241 A242 L247 R248 V249 | T241-E245 PolarHBondContact O-N 3.29Å; A242-E245 PolarHBondContact O-N 2.98Å; E245-L247 PolarHBondContact O-N 3.37Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 3.36Å; E245-R248 VanDerWaalsContact O-N 3.14Å; E245-V249 WeakPolarHBondContact O-CG2 3.36Å; E245-V249 PolarHBondContact O-N 3.27Å |
| 246 | L | 86.9 | Confident | 86.9 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 177.5 | -168.5 | 158.2 | 0 | 0 | 0 | 110.9 | A242 K243 R248 V249 Q250 | A242-L246 VanDerWaalsContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CB 3.37Å; A242-L246 PolarHBondContact O-N 2.99Å; K243-L246 PolarHBondContact O-N 3.28Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 2.88Å; L246-V249 PolarHBondContact O-N 3Å; L246-Q250 VanDerWaalsContact O-CB 3.3Å; L246-Q250 WeakPolarHBondContact O-CB 3.38Å; L246-Q250 PolarHBondContact O-N 3.05Å |
| 247 | L | 88.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 174.8 | -76.1 | 169 | 0 | 0 | 0 | 111.8 | K243 H244 E245 Q250 E251 | K243-L247 HydrophobicContact CG-CD1 4.48Å; K243-L247 WeakPolarHBondContact O-CG 3.4Å; K243-L247 PolarHBondContact O-N 3.07Å; H244-L247 PolarHBondContact O-N 3.49Å; E245-L247 PolarHBondContact O-N 3.37Å; L247-Q250 PolarHBondContact O-N 3.23Å; L247-E251 WeakPolarHBondContact O-CB 3.37Å; L247-E251 PolarHBondContact O-N 3.05Å |
| 248 | R | 88.3 | Confident | 86.3 | Confident | 157 Ų | 157 | 102 Ų | 102 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 176.5 | -164.9 | -176 | 87.6 | 164.1 | 3.2 | 112 | H244 E245 L246 Q250 E251 Q252 | H244-R248 WeakPolarHBondContact O-CB 3.44Å; H244-R248 PolarHBondContact O-N 2.97Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 3.36Å; E245-R248 VanDerWaalsContact O-N 3.14Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 2.88Å; R248-Q250 VanDerWaalsContact C-N 3.33Å; R248-E251 PolarHBondContact O-N 3.39Å; R248-Q252 WeakPolarHBondContact O-CG 3.46Å; R248-Q252 PolarHBondContact O-N 2.9Å |
| 249 | V | 86.5 | Confident | 85.9 | Confident | 76 Ų | 76 | 104.9 Ų | 104.9 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 110 | E245 L246 E251 Q252 L253 | E245-V249 WeakPolarHBondContact O-CG2 3.36Å; E245-V249 PolarHBondContact O-N 3.27Å; L246-V249 PolarHBondContact O-N 3Å; V249-E251 VanDerWaalsContact C-N 3.31Å; V249-E251 PolarHBondContact O-N 2.82Å; V249-Q252 PolarHBondContact O-N 3.4Å; V249-L253 VanDerWaalsContact O-CB 3.28Å; V249-L253 WeakPolarHBondContact O-CB 3.31Å; V249-L253 PolarHBondContact O-N 3.25Å |
| 250 | Q | 84.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.2 | -168.4 | 175.2 | -3.2 | 0 | 0 | 111.8 | L246 L247 R248 L253 S254 | L246-Q250 VanDerWaalsContact O-CB 3.3Å; L246-Q250 WeakPolarHBondContact O-CB 3.38Å; L246-Q250 PolarHBondContact O-N 3.05Å; L247-Q250 PolarHBondContact O-N 3.23Å; R248-Q250 VanDerWaalsContact C-N 3.33Å; Q250-L253 PolarHBondContact O-N 3.43Å; Q250-S254 WeakPolarHBondContact O-CB 3.39Å; Q250-S254 PolarHBondContact O-N 3.24Å |
| 251 | E | 86.4 | Confident | 84.8 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | 173.6 | -173.4 | 174.5 | -156.1 | 0 | 0 | 112.1 | L247 R248 V249 L253 S254 L255 | L247-E251 WeakPolarHBondContact O-CB 3.37Å; L247-E251 PolarHBondContact O-N 3.05Å; R248-E251 PolarHBondContact O-N 3.39Å; V249-E251 VanDerWaalsContact C-N 3.31Å; V249-E251 PolarHBondContact O-N 2.82Å; E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 3.38Å; E251-S254 PolarHBondContact O-N 3.09Å; E251-L255 HydrophobicContact CG-CD1 4.47Å; E251-L255 WeakPolarHBondContact O-CG 3.38Å; E251-L255 PolarHBondContact O-N 3.5Å |
| 252 | Q | 84.6 | Confident | 84.3 | Confident | 106 Ų | 106 | 108 Ų | 108 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 174.5 | -74.7 | -179.4 | -21.5 | 0 | 0 | 112.1 | R248 V249 L255 A256 | R248-Q252 WeakPolarHBondContact O-CG 3.46Å; R248-Q252 PolarHBondContact O-N 2.9Å; V249-Q252 PolarHBondContact O-N 3.4Å; Q252-L255 PolarHBondContact O-N 2.89Å; Q252-A256 WeakPolarHBondContact O-CB 3.49Å; Q252-A256 PolarHBondContact O-N 3.34Å |
| 253 | L | 83.1 | Confident | 84 | Confident | 91 Ų | 91 | 112.3 Ų | 112.3 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 178.7 | -146 | 150.4 | 0 | 0 | 0 | 110.5 | V249 Q250 E251 L255 A256 E257 | V249-L253 VanDerWaalsContact O-CB 3.28Å; V249-L253 WeakPolarHBondContact O-CB 3.31Å; V249-L253 PolarHBondContact O-N 3.25Å; Q250-L253 PolarHBondContact O-N 3.43Å; E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 3.38Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 2.98Å; L253-A256 PolarHBondContact O-N 3.35Å; L253-E257 HydrophobicContact CD2-CG 4.12Å; L253-E257 WeakPolarHBondContact CD2-OE1 3.46Å; L253-E257 WeakPolarHBondContact O-CB 3.37Å; L253-E257 WeakPolarHBondContact O-CG 3.42Å; L253-E257 PolarHBondContact O-N 2.93Å |
| 254 | S | 85.5 | Confident | 83.5 | Confident | 44 Ų | 44 | 110.8 Ų | 110.8 | 31% | 0.308 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 171.8 | 143.3 | 0 | 0 | 0 | 0 | 112.6 | Q250 E251 K258 | Q250-S254 WeakPolarHBondContact O-CB 3.39Å; Q250-S254 PolarHBondContact O-N 3.24Å; E251-S254 PolarHBondContact O-N 3.09Å; S254-K258 WeakPolarHBondContact O-CG 3.45Å; S254-K258 PolarHBondContact O-N 3.25Å |
| 255 | L | 83.9 | Confident | 82.7 | Confident | 96 Ų | 96 | 109.2 Ų | 109.2 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 174.6 | -74.5 | 169 | 0 | 0 | 0 | 111.6 | E251 Q252 L253 K258 E259 | E251-L255 HydrophobicContact CG-CD1 4.47Å; E251-L255 WeakPolarHBondContact O-CG 3.38Å; E251-L255 PolarHBondContact O-N 3.5Å; Q252-L255 PolarHBondContact O-N 2.89Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 2.98Å; L255-K258 PolarHBondContact O-N 3.14Å; L255-E259 PolarHBondContact O-N 3.41Å |
| 256 | A | 80.6 | Confident | 81.9 | Confident | 54 Ų | 54 | 108.4 Ų | 108.4 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q252 L253 E259 L260 | Q252-A256 WeakPolarHBondContact O-CB 3.49Å; Q252-A256 PolarHBondContact O-N 3.34Å; L253-A256 PolarHBondContact O-N 3.35Å; A256-E259 PolarHBondContact O-N 2.69Å; A256-L260 VanDerWaalsContact O-CB 3.28Å; A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 PolarHBondContact O-N 3.16Å |
| 257 | E | 81.6 | Confident | 81.6 | Confident | 122 Ų | 122 | 106.4 Ų | 106.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 172.5 | -77.8 | 176.3 | 166.6 | 0 | 0 | 111.2 | L253 E259 L260 E261 | L253-E257 HydrophobicContact CD2-CG 4.12Å; L253-E257 WeakPolarHBondContact CD2-OE1 3.46Å; L253-E257 WeakPolarHBondContact O-CB 3.37Å; L253-E257 WeakPolarHBondContact O-CG 3.42Å; L253-E257 PolarHBondContact O-N 2.93Å; E257-E259 PolarHBondContact O-N 2.96Å; E257-L260 PolarHBondContact O-N 2.98Å; E257-E261 VanDerWaalsContact O-CB 3.3Å; E257-E261 WeakPolarHBondContact O-CB 3.35Å; E257-E261 PolarHBondContact O-N 3.37Å |
| 258 | K | 82.9 | Confident | 80.6 | Confident | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -39.1 | 175.2 | -75.8 | 175.7 | -177.2 | 173.9 | 0 | 112.6 | S254 L255 K262 | S254-K258 WeakPolarHBondContact O-CG 3.45Å; S254-K258 PolarHBondContact O-N 3.25Å; L255-K258 PolarHBondContact O-N 3.14Å; K258-K262 WeakPolarHBondContact O-CB 3.43Å; K258-K262 PolarHBondContact O-N 3.42Å |
| 259 | E | 80.5 | Confident | 79.8 | Confident | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.6 | -39.5 | 175.3 | -76.9 | -166.1 | 164.3 | 0 | 0 | 112.5 | L255 A256 E257 K262 K263 | L255-E259 PolarHBondContact O-N 3.41Å; A256-E259 PolarHBondContact O-N 2.69Å; E257-E259 PolarHBondContact O-N 2.96Å; E259-K262 WeakPolarHBondContact O-CB 3.31Å; E259-K262 PolarHBondContact O-N 3.12Å; E259-K263 PolarHBondContact O-N 3.27Å |
| 260 | L | 78.4 | Confident | 79.3 | Confident | 129 Ų | 129 | 101.1 Ų | 101.1 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 176.5 | -163.1 | 81.2 | 0 | 0 | 0 | 110.5 | A256 E257 K262 K263 F264 | A256-L260 VanDerWaalsContact O-CB 3.28Å; A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 PolarHBondContact O-N 3.16Å; E257-L260 PolarHBondContact O-N 2.98Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.46Å; L260-K263 CarbonylContact O-C 3.56Å; L260-K263 PolarHBondContact O-N 2.85Å; L260-F264 VanDerWaalsContact O-CB 3.25Å; L260-F264 WeakPolarHBondContact O-CB 3.32Å; L260-F264 PolarHBondContact O-N 3.02Å |
| 261 | E | 78.3 | Confident | 78.8 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 173 | -178.7 | 56.7 | -142.9 | 0 | 0 | 110.7 | E257 K263 F264 Q265 | E257-E261 VanDerWaalsContact O-CB 3.3Å; E257-E261 WeakPolarHBondContact O-CB 3.35Å; E257-E261 PolarHBondContact O-N 3.37Å; E261-K263 PolarHBondContact O-N 2.88Å; E261-F264 PolarHBondContact O-N 3.25Å; E261-Q265 WeakPolarHBondContact O-CB 3.1Å; E261-Q265 VanDerWaalsContact O-CG 3.29Å; E261-Q265 WeakPolarHBondContact O-CG 3.32Å; E261-Q265 PolarHBondContact O-N 3.43Å; E261-Q265 PolarHBondContact OE1-NE2 3.01Å |
| 262 | K | 78.8 | Confident | 78.1 | Confident | 136 Ų | 136 | 100.6 Ų | 100.6 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 175.6 | -165.6 | 177.4 | -177.3 | -179.3 | 0 | 112.3 | K258 E259 L260 Q266 | K258-K262 WeakPolarHBondContact O-CB 3.43Å; K258-K262 PolarHBondContact O-N 3.42Å; E259-K262 WeakPolarHBondContact O-CB 3.31Å; E259-K262 PolarHBondContact O-N 3.12Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.46Å; K262-Q266 VanDerWaalsContact O-CG 3.24Å; K262-Q266 WeakPolarHBondContact O-CG 3.34Å; K262-Q266 PolarHBondContact O-N 2.83Å |
| 263 | K | 79.5 | Confident | 77.5 | Confident | 140 Ų | 140 | 100.8 Ų | 100.8 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.6 | -37.8 | 175.4 | -76.9 | -169.4 | 178.6 | 178.1 | 0 | 112.2 | E259 L260 E261 Q266 T267 | E259-K263 PolarHBondContact O-N 3.27Å; L260-K263 CarbonylContact O-C 3.56Å; L260-K263 PolarHBondContact O-N 2.85Å; E261-K263 PolarHBondContact O-N 2.88Å; K263-Q266 CarbonylContact O-C 3.58Å; K263-Q266 WeakPolarHBondContact O-CA 3.45Å; K263-Q266 WeakPolarHBondContact O-CB 3.33Å; K263-Q266 PolarHBondContact O-N 3.09Å; K263-Q266 VanDerWaalsContact O-N 3.08Å; K263-T267 PolarHBondContact O-N 2.84Å; K263-T267 PolarHBondContact O-OG1 3.35Å |
| 264 | F | 77.4 | Confident | 77.2 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 174.9 | -179.5 | -102.4 | 0 | 0 | 0 | 110.6 | L260 E261 Q266 T267 Y270 | L260-F264 VanDerWaalsContact O-CB 3.25Å; L260-F264 WeakPolarHBondContact O-CB 3.32Å; L260-F264 PolarHBondContact O-N 3.02Å; E261-F264 PolarHBondContact O-N 3.25Å; F264-Q266 PolarHBondContact O-N 3.48Å; F264-T267 WeakPolarHBondContact O-CB 3.26Å; F264-T267 PolarHBondContact O-N 3.31Å; F264-T267 PolarHBondContact O-OG1 3.12Å; F264-Y270 HydrophobicContact CD1-CD2 4.29Å; F264-Y270 AromaticContact CE1-CD2 3.61Å; F264-Y270 HydrophobicContact CE1-CD2 3.61Å; F264-Y270 AromaticContact CE1-CE2 3.96Å; F264-Y270 HydrophobicContact CE1-CE2 3.96Å; F264-Y270 HydrophobicContact CE1-CG 4.3Å; F264-Y270 HydrophobicContact CZ-CD2 4.09Å; F264-Y270 WeakPolarHBondContact O-CB 3.29Å |
| 265 | Q | 72.3 | Confident | 76.7 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -27.1 | 173.1 | -70.6 | 177.1 | 19 | 0 | 0 | 113.4 | E261 Y270 | E261-Q265 WeakPolarHBondContact O-CB 3.1Å; E261-Q265 VanDerWaalsContact O-CG 3.29Å; E261-Q265 WeakPolarHBondContact O-CG 3.32Å; E261-Q265 PolarHBondContact O-N 3.43Å; E261-Q265 PolarHBondContact OE1-NE2 3.01Å; Q265-Y270 HydrophobicContact CB-CD1 4.43Å; Q265-Y270 HydrophobicContact CB-CE1 4.39Å; Q265-Y270 HydrophobicContact CG-CE1 4.16Å |
| 266 | Q | 72.8 | Confident | 76.4 | Confident | 105 Ų | 105 | 104.9 Ų | 104.9 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.6 | 176.4 | -70.7 | 175.6 | 5.1 | 0 | 0 | 114.2 | K262 K263 F264 R271 | K262-Q266 VanDerWaalsContact O-CG 3.24Å; K262-Q266 WeakPolarHBondContact O-CG 3.34Å; K262-Q266 PolarHBondContact O-N 2.83Å; K263-Q266 CarbonylContact O-C 3.58Å; K263-Q266 WeakPolarHBondContact O-CA 3.45Å; K263-Q266 WeakPolarHBondContact O-CB 3.33Å; K263-Q266 PolarHBondContact O-N 3.09Å; K263-Q266 VanDerWaalsContact O-N 3.08Å; F264-Q266 PolarHBondContact O-N 3.48Å; Q266-R271 PolarHBondContact O-NH1 3.37Å; Q266-R271 PolarHBondContact O-NH2 3Å |
| 267 | T | 78.7 | Confident | 76 | Confident | 69 Ų | 69 | 106.9 Ų | 106.9 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -74.9 | 139.9 | -176.6 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | K263 F264 A269 Y270 R271 | K263-T267 PolarHBondContact O-N 2.84Å; K263-T267 PolarHBondContact O-OG1 3.35Å; F264-T267 WeakPolarHBondContact O-CB 3.26Å; F264-T267 PolarHBondContact O-N 3.31Å; F264-T267 PolarHBondContact O-OG1 3.12Å; T267-A269 PolarHBondContact O-N 3.13Å; T267-A269 VanDerWaalsContact O-N 3.15Å; T267-Y270 PolarHBondContact O-N 3.28Å; T267-R271 PolarHBondContact O-N 3.41Å |
| 268 | A | 68.4 | Low | 75.7 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.5 | -32.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N272 | A268-N272 WeakPolarHBondContact O-CB 3.48Å; A268-N272 PolarHBondContact O-N 3.47Å |
| 269 | A | 70.3 | Confident | 75.5 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T267 M273 | T267-A269 PolarHBondContact O-N 3.13Å; T267-A269 VanDerWaalsContact O-N 3.15Å; A269-M273 WeakPolarHBondContact O-CB 3.33Å; A269-M273 PolarHBondContact O-N 3.27Å |
| 270 | Y | 77.8 | Confident | 75.4 | Confident | 78 Ų | 78 | 102.1 Ų | 102.1 | 31% | 0.306 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 176.6 | -171.6 | -99 | 0 | 0 | 0 | 111.5 | F264 Q265 T267 M273 K274 | F264-Y270 HydrophobicContact CD1-CD2 4.29Å; F264-Y270 AromaticContact CE1-CD2 3.61Å; F264-Y270 HydrophobicContact CE1-CD2 3.61Å; F264-Y270 AromaticContact CE1-CE2 3.96Å; F264-Y270 HydrophobicContact CE1-CE2 3.96Å; F264-Y270 HydrophobicContact CE1-CG 4.3Å; F264-Y270 HydrophobicContact CZ-CD2 4.09Å; F264-Y270 WeakPolarHBondContact O-CB 3.29Å; Q265-Y270 HydrophobicContact CB-CD1 4.43Å; Q265-Y270 HydrophobicContact CB-CE1 4.39Å; Q265-Y270 HydrophobicContact CG-CE1 4.16Å; T267-Y270 PolarHBondContact O-N 3.28Å; Y270-M273 HydrophobicContact CD2-CE 4.46Å; Y270-M273 PolarHBondContact O-N 2.98Å; Y270-K274 VanDerWaalsContact O-CB 3.31Å; Y270-K274 WeakPolarHBondContact O-CB 3.49Å; Y270-K274 PolarHBondContact O-N 3.11Å |
| 271 | R | 72.9 | Confident | 75.3 | Confident | 138 Ų | 138 | 100.3 Ų | 100.3 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.3 | -147 | -177.9 | -76.8 | 135.6 | -7.8 | 111.3 | Q266 T267 K274 E275 | Q266-R271 PolarHBondContact O-NH1 3.37Å; Q266-R271 PolarHBondContact O-NH2 3Å; T267-R271 PolarHBondContact O-N 3.41Å; R271-K274 PolarHBondContact O-N 3.47Å; R271-E275 WeakPolarHBondContact O-CB 3.45Å; R271-E275 PolarHBondContact O-N 2.99Å |
| 272 | N | 72.8 | Confident | 75.3 | Confident | 93 Ų | 93 | 101.8 Ų | 101.8 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 171.8 | -87.3 | -21 | 0 | 0 | 0 | 112.1 | A268 E275 I276 | A268-N272 WeakPolarHBondContact O-CB 3.48Å; A268-N272 PolarHBondContact O-N 3.47Å; N272-E275 PolarHBondContact O-N 3Å; N272-I276 WeakPolarHBondContact O-CB 3.46Å; N272-I276 WeakPolarHBondContact O-CD1 3.44Å; N272-I276 WeakPolarHBondContact O-CG1 3.42Å; N272-I276 PolarHBondContact O-N 2.99Å |
| 273 | M | 71 | Confident | 75.1 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 179 | -167.5 | 170.1 | 81.4 | 0 | 0 | 111.6 | A269 Y270 I276 L277 | A269-M273 WeakPolarHBondContact O-CB 3.33Å; A269-M273 PolarHBondContact O-N 3.27Å; Y270-M273 HydrophobicContact CD2-CE 4.46Å; Y270-M273 PolarHBondContact O-N 2.98Å; M273-I276 PolarHBondContact O-N 3.05Å; M273-L277 HydrophobicContact CG-CD1 4.37Å; M273-L277 WeakPolarHBondContact O-CB 3.42Å; M273-L277 PolarHBondContact O-N 3.37Å |
| 274 | K | 77.3 | Confident | 75 | Confident | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 173.4 | -172.3 | 173.6 | -178.2 | 177.2 | 0 | 111.3 | Y270 R271 L277 T278 | Y270-K274 VanDerWaalsContact O-CB 3.31Å; Y270-K274 WeakPolarHBondContact O-CB 3.49Å; Y270-K274 PolarHBondContact O-N 3.11Å; R271-K274 PolarHBondContact O-N 3.47Å; K274-L277 PolarHBondContact O-N 3.31Å; K274-T278 WeakPolarHBondContact O-CG2 3.44Å; K274-T278 PolarHBondContact O-N 3.45Å; K274-T278 PolarHBondContact O-OG1 3.5Å; K274-T278 VanDerWaalsContact O-OG1 3.06Å |
| 275 | E | 75.6 | Confident | 74.9 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 178.7 | -152.3 | -173.2 | 152.9 | 0 | 0 | 112.6 | R271 N272 T278 K279 | R271-E275 WeakPolarHBondContact O-CB 3.45Å; R271-E275 PolarHBondContact O-N 2.99Å; N272-E275 PolarHBondContact O-N 3Å; E275-T278 VanDerWaalsContact CA-OG1 3.26Å; E275-T278 WeakPolarHBondContact CA-OG1 3.35Å; E275-T278 PolarHBondContact O-OG1 2.89Å; E275-K279 VanDerWaalsContact O-CB 3.3Å; E275-K279 WeakPolarHBondContact O-CB 3.31Å; E275-K279 WeakPolarHBondContact O-CG 3.44Å; E275-K279 PolarHBondContact O-N 3.12Å; E275-K279 IonicContact OE1-NZ 2.81Å; E275-K279 PolarHBondContact OE1-NZ 2.96Å |
| 276 | I | 76.1 | Confident | 75 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 171.7 | -69.3 | 164.6 | 0 | 0 | 0 | 110.3 | N272 M273 K279 K280 | N272-I276 WeakPolarHBondContact O-CB 3.46Å; N272-I276 WeakPolarHBondContact O-CD1 3.44Å; N272-I276 WeakPolarHBondContact O-CG1 3.42Å; N272-I276 PolarHBondContact O-N 2.99Å; M273-I276 PolarHBondContact O-N 3.05Å; I276-K279 PolarHBondContact O-N 3.15Å; I276-K280 HydrophobicContact CG2-CG 4.47Å; I276-K280 VanDerWaalsContact O-CB 3.32Å; I276-K280 WeakPolarHBondContact O-CB 3.31Å; I276-K280 WeakPolarHBondContact O-CG 3.36Å; I276-K280 PolarHBondContact O-N 3.4Å |
| 277 | L | 73 | Confident | 74.9 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 176 | -104.1 | 147 | 0 | 0 | 0 | 112.1 | M273 K274 N281 | M273-L277 HydrophobicContact CG-CD1 4.37Å; M273-L277 WeakPolarHBondContact O-CB 3.42Å; M273-L277 PolarHBondContact O-N 3.37Å; K274-L277 PolarHBondContact O-N 3.31Å; L277-N281 WeakPolarHBondContact O-CB 3.32Å; L277-N281 PolarHBondContact O-N 3.29Å; L277-N281 PolarHBondContact O-ND2 2.71Å |
| 278 | T | 76.1 | Confident | 74.5 | Confident | 64 Ų | 64 | 105.9 Ų | 105.9 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.6 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | K274 E275 K280 N281 E282 | K274-T278 WeakPolarHBondContact O-CG2 3.44Å; K274-T278 PolarHBondContact O-N 3.45Å; K274-T278 PolarHBondContact O-OG1 3.5Å; K274-T278 VanDerWaalsContact O-OG1 3.06Å; E275-T278 VanDerWaalsContact CA-OG1 3.26Å; E275-T278 WeakPolarHBondContact CA-OG1 3.35Å; E275-T278 PolarHBondContact O-OG1 2.89Å; T278-K280 PolarHBondContact O-N 3.12Å; T278-N281 PolarHBondContact O-N 3.29Å; T278-E282 PolarHBondContact O-N 3.42Å |
| 279 | K | 77.8 | Confident | 74.7 | Confident | 105 Ų | 105 | 110.5 Ų | 110.5 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.6 | -79.4 | 174 | -177.1 | 157.2 | 0 | 112.2 | E275 I276 E282 Q283 | E275-K279 VanDerWaalsContact O-CB 3.3Å; E275-K279 WeakPolarHBondContact O-CB 3.31Å; E275-K279 WeakPolarHBondContact O-CG 3.44Å; E275-K279 PolarHBondContact O-N 3.12Å; E275-K279 IonicContact OE1-NZ 2.81Å; E275-K279 PolarHBondContact OE1-NZ 2.96Å; I276-K279 PolarHBondContact O-N 3.15Å; K279-E282 PolarHBondContact O-N 2.94Å; K279-Q283 WeakPolarHBondContact O-CB 3.49Å; K279-Q283 VanDerWaalsContact O-CG 3.23Å; K279-Q283 WeakPolarHBondContact O-CG 3.46Å; K279-Q283 PolarHBondContact O-N 2.83Å |
| 280 | K | 78.1 | Confident | 74.5 | Confident | 129 Ų | 129 | 115.8 Ų | 115.8 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -37.5 | 174.2 | -80.9 | -163.6 | 174.4 | -167.5 | 0 | 111.9 | I276 T278 Q283 I284 | I276-K280 HydrophobicContact CG2-CG 4.47Å; I276-K280 VanDerWaalsContact O-CB 3.32Å; I276-K280 WeakPolarHBondContact O-CB 3.31Å; I276-K280 WeakPolarHBondContact O-CG 3.36Å; I276-K280 PolarHBondContact O-N 3.4Å; T278-K280 PolarHBondContact O-N 3.12Å; K280-Q283 PolarHBondContact O-N 3.26Å; K280-I284 WeakPolarHBondContact O-CB 3.22Å; K280-I284 WeakPolarHBondContact O-CG1 3.4Å; K280-I284 PolarHBondContact O-N 2.87Å |
| 281 | N | 77.5 | Confident | 73.8 | Confident | 92 Ų | 92 | 116.7 Ų | 116.7 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 174.1 | -83.3 | -23.1 | 0 | 0 | 0 | 112.6 | L277 T278 I284 K285 | L277-N281 WeakPolarHBondContact O-CB 3.32Å; L277-N281 PolarHBondContact O-N 3.29Å; L277-N281 PolarHBondContact O-ND2 2.71Å; T278-N281 PolarHBondContact O-N 3.29Å; N281-I284 PolarHBondContact O-N 3.02Å; N281-K285 PolarHBondContact O-N 3.39Å |
| 282 | E | 78.3 | Confident | 73.4 | Confident | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -43.4 | 172.1 | -79.4 | 167.4 | 160.2 | 0 | 0 | 111.5 | T278 K279 I284 K285 E286 | T278-E282 PolarHBondContact O-N 3.42Å; K279-E282 PolarHBondContact O-N 2.94Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 2.75Å; E282-K285 CarbonylContact O-C 3.44Å; E282-K285 WeakPolarHBondContact O-CA 3.29Å; E282-K285 WeakPolarHBondContact O-CB 3.46Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-K285 VanDerWaalsContact O-N 3.13Å; E282-E286 WeakPolarHBondContact O-CB 3.45Å; E282-E286 PolarHBondContact O-N 2.91Å |
| 283 | Q | 74.4 | Confident | 72.8 | Confident | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 172.1 | -74.4 | 174.1 | -11.2 | 0 | 0 | 111.7 | K279 K280 E286 I287 | K279-Q283 WeakPolarHBondContact O-CB 3.49Å; K279-Q283 VanDerWaalsContact O-CG 3.23Å; K279-Q283 WeakPolarHBondContact O-CG 3.46Å; K279-Q283 PolarHBondContact O-N 2.83Å; K280-Q283 PolarHBondContact O-N 3.26Å; Q283-E286 PolarHBondContact O-N 3.34Å; Q283-I287 VanDerWaalsContact O-CB 3.27Å; Q283-I287 WeakPolarHBondContact O-CB 3.15Å; Q283-I287 WeakPolarHBondContact O-CD1 3.47Å; Q283-I287 WeakPolarHBondContact O-CG1 3.08Å; Q283-I287 PolarHBondContact O-N 3.38Å |
| 284 | I | 75.8 | Confident | 72.2 | Confident | 75 Ų | 75 | 123.8 Ų | 123.8 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 172.8 | -74.1 | 167 | 0 | 0 | 0 | 110.4 | K280 N281 E282 E286 R288 | K280-I284 WeakPolarHBondContact O-CB 3.22Å; K280-I284 WeakPolarHBondContact O-CG1 3.4Å; K280-I284 PolarHBondContact O-N 2.87Å; N281-I284 PolarHBondContact O-N 3.02Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 2.75Å; I284-E286 VanDerWaalsContact C-N 3.32Å; I284-E286 PolarHBondContact O-N 3.32Å; I284-R288 HydrophobicContact CG2-CG 4.44Å; I284-R288 VanDerWaalsContact O-CB 3.29Å; I284-R288 WeakPolarHBondContact O-CB 3.19Å; I284-R288 WeakPolarHBondContact O-CG 3.43Å; I284-R288 PolarHBondContact O-N 2.81Å |
| 285 | K | 76.8 | Confident | 71.5 | Confident | 158 Ų | 158 | 123.8 Ų | 123.8 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -40.5 | 173.6 | -97 | -177.9 | 175.8 | 179 | 0 | 112 | N281 E282 R288 K289 | N281-K285 PolarHBondContact O-N 3.39Å; E282-K285 CarbonylContact O-C 3.44Å; E282-K285 WeakPolarHBondContact O-CA 3.29Å; E282-K285 WeakPolarHBondContact O-CB 3.46Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-K285 VanDerWaalsContact O-N 3.13Å; K285-R288 PolarHBondContact O-N 3.14Å; K285-K289 WeakPolarHBondContact O-CB 3.5Å; K285-K289 PolarHBondContact O-N 3.49Å |
| 286 | E | 74.4 | Confident | 70.5 | Confident | 121 Ų | 121 | 125.4 Ų | 125.4 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.4 | -36.5 | -177.9 | -155 | 169.9 | -151.6 | 0 | 0 | 112 | E282 Q283 I284 K289 R290 | E282-E286 WeakPolarHBondContact O-CB 3.45Å; E282-E286 PolarHBondContact O-N 2.91Å; Q283-E286 PolarHBondContact O-N 3.34Å; I284-E286 VanDerWaalsContact C-N 3.32Å; I284-E286 PolarHBondContact O-N 3.32Å; E286-K289 PolarHBondContact O-N 2.94Å; E286-R290 WeakPolarHBondContact O-CB 3.48Å; E286-R290 PolarHBondContact O-N 2.89Å |
| 287 | I | 70.6 | Confident | 69.3 | Low | 100 Ų | 100 | 126.1 Ų | 126.1 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.7 | -44.4 | 169.2 | -70.5 | 166.3 | 0 | 0 | 0 | 110.1 | Q283 K289 R290 L291 | Q283-I287 VanDerWaalsContact O-CB 3.27Å; Q283-I287 WeakPolarHBondContact O-CB 3.15Å; Q283-I287 WeakPolarHBondContact O-CD1 3.47Å; Q283-I287 WeakPolarHBondContact O-CG1 3.08Å; Q283-I287 PolarHBondContact O-N 3.38Å; I287-K289 VanDerWaalsContact C-N 3.33Å; I287-K289 PolarHBondContact O-N 3.42Å; I287-R290 PolarHBondContact O-N 2.89Å; I287-L291 HydrophobicContact CG2-CD1 3.74Å; I287-L291 WeakPolarHBondContact O-CD1 3.38Å; I287-L291 PolarHBondContact O-N 3.36Å |
| 288 | R | 70.6 | Confident | 67.7 | Low | 182 Ų | 182 | 132.9 Ų | 132.9 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.8 | -43.9 | 172.3 | -76.5 | 175.8 | -176.6 | -171.2 | 1.4 | 111.3 | I284 K285 R290 L291 Q292 | I284-R288 HydrophobicContact CG2-CG 4.44Å; I284-R288 VanDerWaalsContact O-CB 3.29Å; I284-R288 WeakPolarHBondContact O-CB 3.19Å; I284-R288 WeakPolarHBondContact O-CG 3.43Å; I284-R288 PolarHBondContact O-N 2.81Å; K285-R288 PolarHBondContact O-N 3.14Å; R288-R290 VanDerWaalsContact C-N 3.32Å; R288-R290 PolarHBondContact O-N 2.7Å; R288-L291 PolarHBondContact O-N 3.14Å; R288-Q292 WeakPolarHBondContact O-CB 3.23Å; R288-Q292 PolarHBondContact O-N 3.11Å |
| 289 | K | 71 | Confident | 67.3 | Low | 159 Ų | 159 | 136.4 Ų | 136.4 | 69% | 0.691 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.9 | -28.7 | 177.3 | -143.4 | 178.6 | -171.5 | -177.7 | 0 | 113.5 | K285 E286 I287 | K285-K289 WeakPolarHBondContact O-CB 3.5Å; K285-K289 PolarHBondContact O-N 3.49Å; E286-K289 PolarHBondContact O-N 2.94Å; I287-K289 VanDerWaalsContact C-N 3.33Å; I287-K289 PolarHBondContact O-N 3.42Å |
| 290 | R | 67.3 | Low | 66.8 | Low | 184 Ų | 184 | 138 Ų | 138 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.7 | -35.4 | 173.4 | -85 | -176.5 | 177 | 167 | 1.5 | 112.9 | E286 I287 R288 Q292 K293 | E286-R290 WeakPolarHBondContact O-CB 3.48Å; E286-R290 PolarHBondContact O-N 2.89Å; I287-R290 PolarHBondContact O-N 2.89Å; R288-R290 VanDerWaalsContact C-N 3.32Å; R288-R290 PolarHBondContact O-N 2.7Å; R290-Q292 VanDerWaalsContact C-N 3.27Å; R290-K293 PolarHBondContact O-N 3.36Å |
| 291 | L | 62.1 | Low | 66.2 | Low | 96 Ų | 96 | 138.5 Ų | 138.5 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.4 | -35.9 | 171.5 | -106.5 | 93.1 | 0 | 0 | 0 | 111.2 | I287 R288 K293 Y294 E295 | I287-L291 HydrophobicContact CG2-CD1 3.74Å; I287-L291 WeakPolarHBondContact O-CD1 3.38Å; I287-L291 PolarHBondContact O-N 3.36Å; R288-L291 PolarHBondContact O-N 3.14Å; L291-K293 PolarHBondContact O-N 2.59Å; L291-Y294 PolarHBondContact O-N 2.94Å; L291-E295 PolarHBondContact O-N 2.86Å; L291-E295 VanDerWaalsContact O-N 3.09Å |
| 292 | Q | 65.1 | Low | 65.5 | Low | 102 Ų | 102 | 141.2 Ų | 141.2 | 48% | 0.477 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -10.3 | 176.1 | -151.2 | 171.8 | 19.6 | 0 | 0 | 114.5 | R288 R290 D297 | R288-Q292 WeakPolarHBondContact O-CB 3.23Å; R288-Q292 PolarHBondContact O-N 3.11Å; R290-Q292 VanDerWaalsContact C-N 3.27Å; Q292-D297 PolarHBondContact NE2-OD2 2.89Å |
| 293 | K | 60 | Low | 64.7 | Low | 178 Ų | 178 | 142.4 Ų | 142.4 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -18.9 | 172.1 | -94.8 | -173.6 | 174.3 | -173.9 | 0 | 114.3 | R290 L291 | R290-K293 PolarHBondContact O-N 3.36Å; L291-K293 PolarHBondContact O-N 2.59Å |
| 294 | Y | 59.3 | Low | 64 | Low | 210 Ų | 210 | 144.7 Ų | 144.7 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | -10.4 | -175.8 | -69.8 | -79.4 | 0 | 0 | 0 | 112.9 | L291 | L291-Y294 PolarHBondContact O-N 2.94Š|
| 295 | E | 61.8 | Low | 63.2 | Low | 131 Ų | 131 | 149.6 Ų | 149.6 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -134.5 | 101.8 | 169.3 | -69.3 | 178 | 163 | 0 | 0 | 107.9 | L291 D297 | L291-E295 PolarHBondContact O-N 2.86Å; L291-E295 VanDerWaalsContact O-N 3.09Å; E295-D297 PolarHBondContact O-N 3.37Å |
| 296 | P | 53.9 | Low | 62.2 | Low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | trans | -68.2 | 128.8 | 169.2 | 26.7 | -29.2 | 0 | 0 | 0 | 109.4 | ||||
| 297 | D | 51.8 | Low | 61.1 | Low | 115 Ų | 115 | 151.3 Ų | 151.3 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | -52.7 | 141.2 | -173.3 | -68.4 | -43.2 | 0 | 0 | 0 | 114 | Q292 E295 | Q292-D297 PolarHBondContact NE2-OD2 2.89Å; E295-D297 PolarHBondContact O-N 3.37Å | ||
| 298 | D | 40.3 | Very low | 60.3 | Low | 238 Ų | 238 | 156 Ų | 156 | 100% | 1.273 | 72% | 0.721 | S | S | * | * | trans | -83.1 | 0 | 139.7 | -110.4 | -13 | 0 | 0 | 0 | 108.7 |
Retrieved 298 of 298 residues in 51.7 ms
(Link to these results)