| 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 | E | 37.2 | Very low | 49.9 | Very low | 251 Ų | 251 | 144 Ų | 144 | 100% | 1.173 | 75% | 0.748 | S | S | * | * | 0 | 116 | 0 | -77.1 | -172 | 89.5 | 0 | 0 | 108.2 | |||||
| 2 | T | 45.9 | Very low | 49.8 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 91% | 0.914 | 74% | 0.744 | S | S | * | * | trans | -97.5 | 102.9 | 179.2 | -34.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | G | 46 | Very low | 50.4 | Low | 52 Ų | 52 | 138.8 Ų | 138.8 | 54% | 0.536 | 73% | 0.725 | S | S | . | * | trans | -69.2 | 148.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V5 | G3-V5 PolarHBondContact O-N 2.69Š| ||
| 4 | P | 52.5 | Low | 51 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -83.4 | 93.1 | 177.3 | 33.9 | -27.8 | 0 | 0 | 0 | 108.4 | ||||
| 5 | V | 51.3 | Low | 51.5 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | -125.8 | 31.4 | 177.8 | -160.8 | 0 | 0 | 0 | 0 | 111.1 | G3 | G3-V5 PolarHBondContact O-N 2.69Š| ||
| 6 | R | 52.2 | Low | 52 | Low | 195 Ų | 195 | 125.5 Ų | 125.5 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -122 | -11.7 | -174 | -151.7 | 174.3 | -179.7 | -149.5 | -4.8 | 116.2 | ||
| 7 | M | 52.6 | Low | 52.8 | Low | 167 Ų | 167 | 121.7 Ų | 121.7 | 82% | 0.823 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -92 | -25.4 | -176.1 | -82.5 | 171.8 | 170.4 | 0 | 0 | 114.5 | L11 | M7-L11 PolarHBondContact O-N 3.2Å |
| 8 | E | 50.2 | Low | 53.9 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.1 | -34.4 | -177.3 | 61.6 | -163.2 | 130.6 | 0 | 0 | 113 | F12 | E8-F12 PolarHBondContact O-N 3.26Å; E8-F12 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 53 | Low | 55.1 | Low | 151 Ų | 151 | 115.6 Ų | 115.6 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.1 | -38.3 | 178.2 | -155.9 | 174.8 | 165 | 0 | 0 | 111.6 | A13 | E9-A13 WeakPolarHBondContact O-CB 3.4Å; E9-A13 PolarHBondContact O-N 3.41Å |
| 10 | E | 52.3 | Low | 55.9 | Low | 123 Ų | 123 | 112.6 Ų | 112.6 | 58% | 0.575 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.1 | -36.3 | 175.7 | -69.4 | -174.3 | 127.9 | 0 | 0 | 112.4 | A14 | E10-A14 VanDerWaalsContact O-CB 3.27Å; E10-A14 WeakPolarHBondContact O-CB 3.24Å; E10-A14 PolarHBondContact O-N 3.12Å |
| 11 | L | 55.2 | Low | 56.9 | Low | 124 Ų | 124 | 111.3 Ų | 111.3 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.5 | -36.6 | 178.3 | -169.3 | 70.4 | 0 | 0 | 0 | 112.2 | M7 S15 | M7-L11 PolarHBondContact O-N 3.2Å; L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 2.92Å; L11-S15 VanDerWaalsContact O-N 3.13Å; L11-S15 PolarHBondContact O-OG 2.95Å |
| 12 | F | 49.3 | Very low | 59.1 | Low | 160 Ų | 160 | 101.8 Ų | 101.8 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.2 | -43.4 | 176.5 | -171.9 | -99 | 0 | 0 | 0 | 111.6 | E8 S15 C16 | E8-F12 PolarHBondContact O-N 3.26Å; E8-F12 VanDerWaalsContact O-N 3.16Å; F12-S15 PolarHBondContact O-N 2.86Å; F12-C16 WeakPolarHBondContact O-CB 3.27Å; F12-C16 PolarHBondContact O-N 3.29Å |
| 13 | A | 58.1 | Low | 60.8 | Low | 60 Ų | 60 | 97.4 Ų | 97.4 | 50% | 0.496 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E9 S15 C16 S17 | E9-A13 WeakPolarHBondContact O-CB 3.4Å; E9-A13 PolarHBondContact O-N 3.41Å; A13-S15 PolarHBondContact O-N 2.64Å; A13-C16 PolarHBondContact O-N 2.95Å; A13-S17 PolarHBondContact O-N 3.35Å |
| 14 | A | 58.4 | Low | 62.6 | Low | 60 Ų | 60 | 95 Ų | 95 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E10 S18 | E10-A14 VanDerWaalsContact O-CB 3.27Å; E10-A14 WeakPolarHBondContact O-CB 3.24Å; E10-A14 PolarHBondContact O-N 3.12Å; A14-S18 PolarHBondContact O-N 3.39Å; A14-S18 VanDerWaalsContact O-N 3.14Å |
| 15 | S | 58.7 | Low | 64.2 | Low | 67 Ų | 67 | 93.5 Ų | 93.5 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.5 | -30.2 | 177.6 | -57 | 0 | 0 | 0 | 0 | 112.9 | L11 F12 A13 S18 A19 | L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 2.92Å; L11-S15 VanDerWaalsContact O-N 3.13Å; L11-S15 PolarHBondContact O-OG 2.95Å; F12-S15 PolarHBondContact O-N 2.86Å; A13-S15 PolarHBondContact O-N 2.64Å; S15-S18 PolarHBondContact O-OG 3.46Å; S15-A19 WeakPolarHBondContact O-CB 3.37Å; S15-A19 PolarHBondContact O-N 3.46Å |
| 16 | C | 59.6 | Low | 66 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 52% | 0.52 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 174.6 | -163.4 | 0 | 0 | 0 | 0 | 110.9 | F12 A13 A19 A20 | F12-C16 WeakPolarHBondContact O-CB 3.27Å; F12-C16 PolarHBondContact O-N 3.29Å; A13-C16 PolarHBondContact O-N 2.95Å; C16-A19 PolarHBondContact O-N 2.64Å; C16-A20 WeakPolarHBondContact O-CB 3.03Å; C16-A20 PolarHBondContact O-N 2.8Å |
| 17 | S | 65.4 | Low | 67.7 | Low | 61 Ų | 61 | 84 Ų | 84 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 175 | -161.4 | 0 | 0 | 0 | 0 | 111.4 | A13 A19 A20 E21 | A13-S17 PolarHBondContact O-N 3.35Å; S17-A19 VanDerWaalsContact C-N 3.32Å; S17-A19 PolarHBondContact O-N 2.75Å; S17-A20 PolarHBondContact O-N 3.16Å; S17-A20 VanDerWaalsContact O-N 3.16Å; S17-E21 WeakPolarHBondContact O-CG 3.37Å; S17-E21 PolarHBondContact O-N 3.38Å |
| 18 | S | 72 | Confident | 69.4 | Low | 65 Ų | 65 | 76.7 Ų | 76.7 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.9 | -31.8 | -179 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | A14 S15 A22 | A14-S18 PolarHBondContact O-N 3.39Å; A14-S18 VanDerWaalsContact O-N 3.14Å; S15-S18 PolarHBondContact O-OG 3.46Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.76Å; S18-A22 VanDerWaalsContact O-N 3.07Å |
| 19 | A | 76.2 | Confident | 71.3 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S15 C16 S17 A23 | S15-A19 WeakPolarHBondContact O-CB 3.37Å; S15-A19 PolarHBondContact O-N 3.46Å; C16-A19 PolarHBondContact O-N 2.64Å; S17-A19 VanDerWaalsContact C-N 3.32Å; S17-A19 PolarHBondContact O-N 2.75Å; A19-A23 WeakPolarHBondContact O-CB 3.43Å; A19-A23 PolarHBondContact O-N 3.18Å; A19-A23 VanDerWaalsContact O-N 3.11Å |
| 20 | A | 73 | Confident | 73.1 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C16 S17 A23 F24 | C16-A20 WeakPolarHBondContact O-CB 3.03Å; C16-A20 PolarHBondContact O-N 2.8Å; S17-A20 PolarHBondContact O-N 3.16Å; S17-A20 VanDerWaalsContact O-N 3.16Å; A20-A23 WeakPolarHBondContact O-CB 3.45Å; A20-A23 PolarHBondContact O-N 3.05Å; A20-F24 PolarHBondContact O-N 3.27Å |
| 21 | E | 76.9 | Confident | 74.9 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 174.2 | -71.3 | 168.8 | 158.9 | 0 | 0 | 111 | S17 A23 F24 D25 | S17-E21 WeakPolarHBondContact O-CG 3.37Å; S17-E21 PolarHBondContact O-N 3.38Å; E21-A23 PolarHBondContact O-N 2.6Å; E21-F24 WeakPolarHBondContact O-CB 3.08Å; E21-F24 PolarHBondContact O-N 2.98Å; E21-F24 VanDerWaalsContact O-N 3.07Å; E21-D25 PolarHBondContact O-N 3.18Å |
| 22 | A | 82.2 | Confident | 76.6 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -31.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S18 T26 | S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.76Å; S18-A22 VanDerWaalsContact O-N 3.07Å; A22-T26 WeakPolarHBondContact O-CB 3.38Å; A22-T26 PolarHBondContact O-N 3.07Å; A22-T26 VanDerWaalsContact O-N 3.1Å; A22-T26 PolarHBondContact O-OG1 3.03Å |
| 23 | A | 81.6 | Confident | 78.6 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A19 A20 E21 T26 L27 | A19-A23 WeakPolarHBondContact O-CB 3.43Å; A19-A23 PolarHBondContact O-N 3.18Å; A19-A23 VanDerWaalsContact O-N 3.11Å; A20-A23 WeakPolarHBondContact O-CB 3.45Å; A20-A23 PolarHBondContact O-N 3.05Å; E21-A23 PolarHBondContact O-N 2.6Å; A23-T26 PolarHBondContact O-N 3.04Å; A23-L27 WeakPolarHBondContact O-CB 3.18Å; A23-L27 PolarHBondContact O-N 3.16Å |
| 24 | F | 84.4 | Confident | 80.1 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 173.2 | -176.5 | -110.7 | 0 | 0 | 0 | 111.5 | A20 E21 T26 L27 I28 L99 H103 V107 | A20-F24 PolarHBondContact O-N 3.27Å; E21-F24 WeakPolarHBondContact O-CB 3.08Å; E21-F24 PolarHBondContact O-N 2.98Å; E21-F24 VanDerWaalsContact O-N 3.07Å; F24-T26 VanDerWaalsContact C-N 3.28Å; F24-T26 PolarHBondContact O-N 3.22Å; F24-L27 WeakPolarHBondContact O-CA 3.39Å; F24-L27 WeakPolarHBondContact O-CB 3.23Å; F24-L27 PolarHBondContact O-N 3.15Å; F24-I28 HydrophobicContact CD1-CG1 4.18Å; F24-I28 HydrophobicContact CD2-CG1 4.33Å; F24-I28 HydrophobicContact CE1-CD1 4.32Å; F24-I28 HydrophobicContact CE1-CG1 3.76Å; F24-I28 HydrophobicContact CE2-CD1 3.91Å; F24-I28 HydrophobicContact CE2-CG1 3.98Å; F24-I28 HydrophobicContact CG-CG1 4.46Å; F24-I28 HydrophobicContact CZ-CD1 3.73Å; F24-I28 HydrophobicContact CZ-CG1 3.68Å; F24-I28 WeakPolarHBondContact O-CG1 3.2Å; F24-I28 PolarHBondContact O-N 3.47Å; F24-L99 HydrophobicContact CB-CD2 4.05Å; F24-L99 HydrophobicContact CD2-CB 4.46Å; F24-L99 HydrophobicContact CD2-CD2 3.46Å; F24-L99 VanDerWaalsContact CD2-CD2 3.46Å; F24-L99 HydrophobicContact CD2-CG 3.53Å; F24-L99 HydrophobicContact CE2-CD2 4.3Å; F24-L99 HydrophobicContact CE2-CG 3.99Å; F24-L99 HydrophobicContact CG-CD2 4.15Å; F24-L99 HydrophobicContact CG-CG 4.26Å; F24-H103 HydrophobicContact CD1-CB 3.97Å; F24-H103 HydrophobicContact CE1-CB 3.37Å; F24-H103 HydrophobicContact CE2-CB 4.28Å; F24-H103 HydrophobicContact CZ-CB 3.53Å; F24-V107 HydrophobicContact CE1-CG2 3.92Å; F24-V107 HydrophobicContact CZ-CG2 3.58Å |
| 25 | D | 86.6 | Confident | 81.6 | Confident | 97 Ų | 97 | 49.2 Ų | 49.2 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.1 | -44.1 | 176.3 | -73.3 | -24.5 | 0 | 0 | 0 | 111.9 | E21 L27 I28 G29 | E21-D25 PolarHBondContact O-N 3.18Å; D25-L27 VanDerWaalsContact C-N 3.29Å; D25-L27 PolarHBondContact O-N 2.98Å; D25-I28 PolarHBondContact O-N 3.39Å; D25-G29 PolarHBondContact O-N 2.84Å |
| 26 | T | 87.7 | Confident | 83.1 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 53% | 0.534 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | A22 A23 F24 G29 C30 | A22-T26 WeakPolarHBondContact O-CB 3.38Å; A22-T26 PolarHBondContact O-N 3.07Å; A22-T26 VanDerWaalsContact O-N 3.1Å; A22-T26 PolarHBondContact O-OG1 3.03Å; A23-T26 PolarHBondContact O-N 3.04Å; F24-T26 VanDerWaalsContact C-N 3.28Å; F24-T26 PolarHBondContact O-N 3.22Å; T26-G29 PolarHBondContact O-N 2.88Å; T26-C30 PolarHBondContact O-N 3.48Å; T26-C30 PolarHBondContact O-SG 3.06Å |
| 27 | L | 87.8 | Confident | 84.6 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 179.6 | -175.4 | 163.5 | 0 | 0 | 0 | 111.1 | A23 F24 D25 G29 C30 I31 I88 F91 F96 | A23-L27 WeakPolarHBondContact O-CB 3.18Å; A23-L27 PolarHBondContact O-N 3.16Å; F24-L27 WeakPolarHBondContact O-CA 3.39Å; F24-L27 WeakPolarHBondContact O-CB 3.23Å; F24-L27 PolarHBondContact O-N 3.15Å; D25-L27 VanDerWaalsContact C-N 3.29Å; D25-L27 PolarHBondContact O-N 2.98Å; L27-G29 VanDerWaalsContact C-N 3.26Å; L27-G29 PolarHBondContact O-N 2.76Å; L27-C30 WeakPolarHBondContact O-CB 3.21Å; L27-C30 PolarHBondContact O-N 3.11Å; L27-I31 HydrophobicContact CD2-CD1 3.52Å; L27-I31 HydrophobicContact CD2-CG1 4.2Å; L27-I31 WeakPolarHBondContact O-CG1 3.18Å; L27-I31 PolarHBondContact O-N 2.98Å; L27-I88 HydrophobicContact CB-CD1 3.8Å; L27-I88 HydrophobicContact CD1-CD1 3.91Å; L27-I88 HydrophobicContact CG-CD1 3.7Å; L27-F91 HydrophobicContact CD1-CD2 4.21Å; L27-F91 HydrophobicContact CD1-CE2 3.77Å; L27-F91 HydrophobicContact CG-CE2 4.42Å; L27-F96 HydrophobicContact CD1-CD2 3.72Å; L27-F96 HydrophobicContact CD1-CE2 4.3Å; L27-F96 HydrophobicContact CD1-CG 4.47Å; L27-F96 HydrophobicContact CD2-CD2 3.45Å; L27-F96 VanDerWaalsContact CD2-CD2 3.45Å; L27-F96 HydrophobicContact CD2-CE2 3.14Å; L27-F96 HydrophobicContact CD2-CG 4.46Å; L27-F96 HydrophobicContact CD2-CZ 3.93Å; L27-F96 HydrophobicContact CG-CD2 4.25Å; L27-F96 HydrophobicContact CG-CE2 4.36Å |
| 28 | I | 89.4 | Confident | 86 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.7 | -63.2 | -58.4 | 0 | 0 | 0 | 110.5 | F24 D25 C30 I31 L32 L100 V107 | F24-I28 HydrophobicContact CD1-CG1 4.18Å; F24-I28 HydrophobicContact CD2-CG1 4.33Å; F24-I28 HydrophobicContact CE1-CD1 4.32Å; F24-I28 HydrophobicContact CE1-CG1 3.76Å; F24-I28 HydrophobicContact CE2-CD1 3.91Å; F24-I28 HydrophobicContact CE2-CG1 3.98Å; F24-I28 HydrophobicContact CG-CG1 4.46Å; F24-I28 HydrophobicContact CZ-CD1 3.73Å; F24-I28 HydrophobicContact CZ-CG1 3.68Å; F24-I28 WeakPolarHBondContact O-CG1 3.2Å; F24-I28 PolarHBondContact O-N 3.47Å; D25-I28 PolarHBondContact O-N 3.39Å; I28-C30 VanDerWaalsContact C-N 3.34Å; I28-C30 PolarHBondContact O-N 3.22Å; I28-I31 PolarHBondContact O-N 3.19Å; I28-L32 HydrophobicContact CG2-CD1 4.25Å; I28-L32 WeakPolarHBondContact O-CB 3.23Å; I28-L32 PolarHBondContact O-N 2.92Å; I28-L100 HydrophobicContact CD1-CD1 4.19Å; I28-V107 HydrophobicContact CD1-CG1 4.32Å; I28-V107 HydrophobicContact CD1-CG2 3.75Å; I28-V107 HydrophobicContact CG1-CG2 4.13Å |
| 29 | G | 89.7 | Confident | 86.9 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D25 T26 L27 E33 | D25-G29 PolarHBondContact O-N 2.84Å; T26-G29 PolarHBondContact O-N 2.88Å; L27-G29 VanDerWaalsContact C-N 3.26Å; L27-G29 PolarHBondContact O-N 2.76Å; G29-E33 PolarHBondContact O-N 3.41Å; G29-E33 VanDerWaalsContact O-N 3.09Å |
| 30 | C | 90.6 | Very high | 87.7 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 174.9 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | T26 L27 I28 E33 I34 Y83 L84 | T26-C30 PolarHBondContact O-N 3.48Å; T26-C30 PolarHBondContact O-SG 3.06Å; L27-C30 WeakPolarHBondContact O-CB 3.21Å; L27-C30 PolarHBondContact O-N 3.11Å; I28-C30 VanDerWaalsContact C-N 3.34Å; I28-C30 PolarHBondContact O-N 3.22Å; C30-E33 PolarHBondContact O-N 2.86Å; C30-I34 VanDerWaalsContact O-CD1 3.26Å; C30-I34 WeakPolarHBondContact O-CD1 3.37Å; C30-I34 WeakPolarHBondContact O-CG1 3.41Å; C30-I34 PolarHBondContact O-N 3.18Å; C30-Y83 HydrophobicContact CB-CE1 4.31Å; C30-L84 HydrophobicContact CB-CD2 3.93Å |
| 31 | I | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.2 | -68.2 | 177.9 | 0 | 0 | 0 | 110 | L27 I28 E33 I34 I35 L80 L84 F96 I111 L115 | L27-I31 HydrophobicContact CD2-CD1 3.52Å; L27-I31 HydrophobicContact CD2-CG1 4.2Å; L27-I31 WeakPolarHBondContact O-CG1 3.18Å; L27-I31 PolarHBondContact O-N 2.98Å; I28-I31 PolarHBondContact O-N 3.19Å; I31-E33 VanDerWaalsContact C-N 3.29Å; I31-E33 PolarHBondContact O-N 3.36Å; I31-I34 PolarHBondContact O-N 2.94Å; I31-I35 HydrophobicContact CG2-CD1 3.42Å; I31-I35 VanDerWaalsContact CG2-CD1 3.42Å; I31-I35 HydrophobicContact CG2-CG1 4.07Å; I31-I35 WeakPolarHBondContact O-CG1 3.48Å; I31-I35 PolarHBondContact O-N 3.29Å; I31-L80 HydrophobicContact CG1-CD1 4.41Å; I31-L84 HydrophobicContact CD1-CD1 4.14Å; I31-L84 HydrophobicContact CG1-CD1 3.98Å; I31-L84 HydrophobicContact CG1-CD2 3.85Å; I31-L84 HydrophobicContact CG1-CG 4.46Å; I31-F96 HydrophobicContact CD1-CE1 4.19Å; I31-F96 HydrophobicContact CD1-CE2 3.97Å; I31-F96 HydrophobicContact CD1-CZ 3.45Å; I31-F96 VanDerWaalsContact CD1-CZ 3.45Å; I31-I111 HydrophobicContact CG2-CG2 4.1Å; I31-L115 HydrophobicContact CD1-CD1 4.12Å; I31-L115 HydrophobicContact CD1-CD2 4.26Å; I31-L115 HydrophobicContact CG2-CD1 4.38Å; I31-L115 HydrophobicContact CG2-CD2 4.14Å |
| 32 | L | 90.8 | Very high | 89.4 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -53.2 | -46.2 | 175.8 | -90.3 | 170.4 | 0 | 0 | 0 | 112.6 | I28 I34 I35 M36 I111 | I28-L32 HydrophobicContact CG2-CD1 4.25Å; I28-L32 WeakPolarHBondContact O-CB 3.23Å; I28-L32 PolarHBondContact O-N 2.92Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3.39Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-M36 WeakPolarHBondContact O-CB 3.36Å; L32-M36 WeakPolarHBondContact O-CG 3.37Å; L32-M36 PolarHBondContact O-N 2.88Å; L32-I111 HydrophobicContact CD1-CD1 4.06Å; L32-I111 HydrophobicContact CD2-CD1 3.15Å; L32-I111 HydrophobicContact CD2-CG1 3.93Å; L32-I111 HydrophobicContact CG-CD1 3.56Å |
| 33 | E | 90.4 | Very high | 90.1 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.2 | -49.7 | 178.5 | -172.1 | 179.6 | -159.6 | 0 | 0 | 111.1 | G29 C30 I31 M36 E37 Y83 K87 | G29-E33 PolarHBondContact O-N 3.41Å; G29-E33 VanDerWaalsContact O-N 3.09Å; C30-E33 PolarHBondContact O-N 2.86Å; I31-E33 VanDerWaalsContact C-N 3.29Å; I31-E33 PolarHBondContact O-N 3.36Å; E33-M36 PolarHBondContact O-N 2.91Å; E33-E37 WeakPolarHBondContact O-CG 3.3Å; E33-E37 PolarHBondContact O-N 3.43Å; E33-Y83 PolarHBondContact OE2-OH 3.22Å; E33-K87 IonicContact OE2-NZ 2.75Å |
| 34 | I | 90.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.5 | -45.8 | -177.2 | -57.7 | 152.2 | 0 | 0 | 0 | 111.5 | C30 I31 L32 M36 E37 F40 L80 Y83 | C30-I34 VanDerWaalsContact O-CD1 3.26Å; C30-I34 WeakPolarHBondContact O-CD1 3.37Å; C30-I34 WeakPolarHBondContact O-CG1 3.41Å; C30-I34 PolarHBondContact O-N 3.18Å; I31-I34 PolarHBondContact O-N 2.94Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3.39Å; I34-M36 PolarHBondContact O-N 3.35Å; I34-E37 VanDerWaalsContact O-CB 3.31Å; I34-E37 WeakPolarHBondContact O-CB 3.33Å; I34-E37 PolarHBondContact O-N 3.09Å; I34-F40 HydrophobicContact CG2-CD2 4Å; I34-F40 VanDerWaalsContact O-CB 3.31Å; I34-F40 WeakPolarHBondContact O-CB 3.37Å; I34-L80 HydrophobicContact CB-CD1 4.3Å; I34-L80 HydrophobicContact CD1-CD1 3.37Å; I34-L80 HydrophobicContact CG1-CD1 4.47Å; I34-L80 HydrophobicContact CG2-CD1 4.17Å; I34-Y83 HydrophobicContact CD1-CD1 3.01Å; I34-Y83 HydrophobicContact CD1-CD2 4.33Å; I34-Y83 HydrophobicContact CD1-CE1 3.36Å; I34-Y83 HydrophobicContact CD1-CG 3.52Å; I34-Y83 HydrophobicContact CG1-CD1 3.58Å; I34-Y83 HydrophobicContact CG1-CD2 4.19Å; I34-Y83 HydrophobicContact CG1-CE1 3.51Å; I34-Y83 HydrophobicContact CG1-CE2 4.2Å; I34-Y83 HydrophobicContact CG1-CG 3.87Å |
| 35 | I | 89.2 | Confident | 91.2 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -32.7 | -177.7 | -65.8 | 179.1 | 0 | 0 | 0 | 110.2 | I31 L32 E37 Q41 I111 M114 | I31-I35 HydrophobicContact CG2-CD1 3.42Å; I31-I35 VanDerWaalsContact CG2-CD1 3.42Å; I31-I35 HydrophobicContact CG2-CG1 4.07Å; I31-I35 WeakPolarHBondContact O-CG1 3.48Å; I31-I35 PolarHBondContact O-N 3.29Å; L32-I35 PolarHBondContact O-N 2.91Å; I35-E37 VanDerWaalsContact C-N 3.27Å; I35-E37 PolarHBondContact O-N 3.28Å; I35-Q41 WeakPolarHBondContact O-CG 3.27Å; I35-Q41 PolarHBondContact O-NE2 2.92Å; I35-I111 HydrophobicContact CD1-CG2 4.15Å; I35-M114 HydrophobicContact CD1-CE 3.65Å; I35-M114 HydrophobicContact CD1-SD 3.78Å; I35-M114 HydrophobicContact CG1-CE 3.7Å; I35-M114 HydrophobicContact CG1-SD 4.18Å; I35-M114 HydrophobicContact CG2-CE 4.11Å; I35-M114 HydrophobicContact CG2-SD 3.68Å |
| 36 | M | 89.2 | Confident | 91.6 | Very high | 144 Ų | 144 | 62.4 Ų | 62.4 | 71% | 0.709 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.1 | 176.3 | -69.4 | -175.5 | 69.3 | 0 | 0 | 114 | L32 E33 I34 | L32-M36 WeakPolarHBondContact O-CB 3.36Å; L32-M36 WeakPolarHBondContact O-CG 3.37Å; L32-M36 PolarHBondContact O-N 2.88Å; E33-M36 PolarHBondContact O-N 2.91Å; I34-M36 PolarHBondContact O-N 3.35Å |
| 37 | E | 92.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -67.8 | 135.4 | 177 | -67 | -178.1 | -170.4 | 0 | 0 | 111.4 | E33 I34 I35 D39 F40 Q41 | E33-E37 WeakPolarHBondContact O-CG 3.3Å; E33-E37 PolarHBondContact O-N 3.43Å; I34-E37 VanDerWaalsContact O-CB 3.31Å; I34-E37 WeakPolarHBondContact O-CB 3.33Å; I34-E37 PolarHBondContact O-N 3.09Å; I35-E37 VanDerWaalsContact C-N 3.27Å; I35-E37 PolarHBondContact O-N 3.28Å; E37-D39 PolarHBondContact O-N 3.18Å; E37-F40 HydrophobicContact CB-CB 4.36Å; E37-F40 PolarHBondContact O-N 2.8Å; E37-F40 VanDerWaalsContact O-N 3.11Å; E37-Q41 PolarHBondContact O-N 3.06Å |
| 38 | D | 93.4 | Very high | 92.5 | Very high | 142 Ų | 142 | 58.5 Ų | 58.5 | 76% | 0.759 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.1 | -37.1 | 179.8 | -73.1 | -38.4 | 0 | 0 | 0 | 112.3 | L42 | D38-L42 WeakPolarHBondContact O-CB 3.25Å; D38-L42 PolarHBondContact O-N 2.93Å |
| 39 | D | 92.7 | Very high | 92.8 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.3 | -42.8 | 179.4 | -75.8 | -14.3 | 0 | 0 | 0 | 110.9 | E37 L42 V43 | E37-D39 PolarHBondContact O-N 3.18Å; D39-L42 PolarHBondContact O-N 2.69Å; D39-V43 WeakPolarHBondContact O-CB 3.4Å; D39-V43 WeakPolarHBondContact O-CG2 3.47Å; D39-V43 PolarHBondContact O-N 2.76Å |
| 40 | F | 92 | Very high | 93.1 | Very high | 18 Ų | 18 | 66.2 Ų | 66.2 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.8 | -174.8 | -80.4 | 0 | 0 | 0 | 110.9 | I34 E37 L42 V43 Q44 L76 M114 F118 | I34-F40 HydrophobicContact CG2-CD2 4Å; I34-F40 VanDerWaalsContact O-CB 3.31Å; I34-F40 WeakPolarHBondContact O-CB 3.37Å; E37-F40 HydrophobicContact CB-CB 4.36Å; E37-F40 PolarHBondContact O-N 2.8Å; E37-F40 VanDerWaalsContact O-N 3.11Å; F40-L42 VanDerWaalsContact C-N 3.3Å; F40-L42 PolarHBondContact O-N 2.92Å; F40-V43 PolarHBondContact O-N 3.42Å; F40-Q44 HydrophobicContact CE1-CB 4.41Å; F40-Q44 PolarHBondContact O-N 2.9Å; F40-L76 HydrophobicContact CD2-CD2 4.12Å; F40-L76 HydrophobicContact CE1-CD2 4.08Å; F40-L76 HydrophobicContact CE2-CB 4.34Å; F40-L76 HydrophobicContact CE2-CD2 3.61Å; F40-L76 HydrophobicContact CZ-CB 4.24Å; F40-L76 HydrophobicContact CZ-CD2 3.57Å; F40-L76 HydrophobicContact CZ-CG 4.38Å; F40-M114 HydrophobicContact CD1-CE 4.34Å; F40-M114 HydrophobicContact CE1-CE 3.14Å; F40-M114 HydrophobicContact CE1-SD 4.28Å; F40-M114 HydrophobicContact CE2-CE 4.39Å; F40-M114 HydrophobicContact CZ-CE 3.17Å; F40-F118 HydrophobicContact CZ-CZ 4.45Å |
| 41 | Q | 91.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.6 | -70.7 | -66.7 | -41.7 | 0 | 0 | 112.1 | I35 E37 R45 | I35-Q41 WeakPolarHBondContact O-CG 3.27Å; I35-Q41 PolarHBondContact O-NE2 2.92Å; E37-Q41 PolarHBondContact O-N 3.06Å; Q41-R45 VanDerWaalsContact O-CB 3.23Å; Q41-R45 WeakPolarHBondContact O-CB 3.19Å; Q41-R45 PolarHBondContact O-N 3.43Å |
| 42 | L | 94.7 | Very high | 93.6 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.4 | 178.1 | 62.8 | 0 | 0 | 0 | 111.6 | D38 D39 F40 T46 | D38-L42 WeakPolarHBondContact O-CB 3.25Å; D38-L42 PolarHBondContact O-N 2.93Å; D39-L42 PolarHBondContact O-N 2.69Å; F40-L42 VanDerWaalsContact C-N 3.3Å; F40-L42 PolarHBondContact O-N 2.92Å; L42-T46 VanDerWaalsContact O-CB 3.24Å; L42-T46 WeakPolarHBondContact O-CB 3.48Å; L42-T46 PolarHBondContact O-N 3.41Å; L42-T46 PolarHBondContact O-OG1 3.4Å |
| 43 | V | 95.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 71 Ų | 71 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | D39 F40 T46 F47 L75 L76 | D39-V43 WeakPolarHBondContact O-CB 3.4Å; D39-V43 WeakPolarHBondContact O-CG2 3.47Å; D39-V43 PolarHBondContact O-N 2.76Å; F40-V43 PolarHBondContact O-N 3.42Å; V43-T46 PolarHBondContact O-N 3.37Å; V43-F47 WeakPolarHBondContact O-CB 3.44Å; V43-F47 PolarHBondContact O-N 2.97Å; V43-L75 HydrophobicContact CG1-CD1 4.25Å; V43-L75 HydrophobicContact CG1-CD2 3.41Å; V43-L75 VanDerWaalsContact CG1-CD2 3.41Å; V43-L75 HydrophobicContact CG1-CG 3.56Å; V43-L76 HydrophobicContact CB-CD2 4.3Å; V43-L76 HydrophobicContact CG1-CD2 3.77Å; V43-L76 HydrophobicContact CG1-CG 4.44Å |
| 44 | Q | 94.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 70.1 Ų | 70.1 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 178.2 | -172 | -175 | 40 | 0 | 0 | 111.4 | F40 T46 F47 L48 L76 | F40-Q44 HydrophobicContact CE1-CB 4.41Å; F40-Q44 PolarHBondContact O-N 2.9Å; Q44-T46 VanDerWaalsContact C-N 3.35Å; Q44-T46 PolarHBondContact O-N 2.89Å; Q44-F47 WeakPolarHBondContact O-CB 3.2Å; Q44-F47 PolarHBondContact O-N 3.17Å; Q44-L48 HydrophobicContact CG-CD1 4.29Å; Q44-L48 WeakPolarHBondContact O-CG 3.5Å; Q44-L48 PolarHBondContact O-N 2.85Å; Q44-L76 HydrophobicContact CB-CD1 4.01Å; Q44-L76 HydrophobicContact CB-CD2 4.21Å; Q44-L76 HydrophobicContact CG-CD1 3.97Å |
| 45 | R | 94.9 | Very high | 94.1 | Very high | 136 Ų | 136 | 69.5 Ų | 69.5 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 179.1 | -177.9 | 176.9 | 62.8 | -158 | -6.6 | 112.3 | Q41 F47 L48 D49 | Q41-R45 VanDerWaalsContact O-CB 3.23Å; Q41-R45 WeakPolarHBondContact O-CB 3.19Å; Q41-R45 PolarHBondContact O-N 3.43Å; R45-F47 VanDerWaalsContact C-N 3.28Å; R45-F47 PolarHBondContact O-N 3.36Å; R45-L48 PolarHBondContact O-N 3.14Å; R45-D49 WeakPolarHBondContact O-CB 3.33Å; R45-D49 PolarHBondContact O-N 3.35Å |
| 46 | T | 96.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 72.9 Ų | 72.9 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | L42 V43 Q44 R50 | L42-T46 VanDerWaalsContact O-CB 3.24Å; L42-T46 WeakPolarHBondContact O-CB 3.48Å; L42-T46 PolarHBondContact O-N 3.41Å; L42-T46 PolarHBondContact O-OG1 3.4Å; V43-T46 PolarHBondContact O-N 3.37Å; Q44-T46 VanDerWaalsContact C-N 3.35Å; Q44-T46 PolarHBondContact O-N 2.89Å; T46-R50 WeakPolarHBondContact O-CB 3.31Å; T46-R50 PolarHBondContact O-N 3.25Å; T46-R50 VanDerWaalsContact O-N 3.12Å |
| 47 | F | 96.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.1 | -175 | -93.7 | 0 | 0 | 0 | 111.7 | V43 Q44 R45 R50 H51 I68 E71 Y72 L75 F124 F128 | V43-F47 WeakPolarHBondContact O-CB 3.44Å; V43-F47 PolarHBondContact O-N 2.97Å; Q44-F47 WeakPolarHBondContact O-CB 3.2Å; Q44-F47 PolarHBondContact O-N 3.17Å; R45-F47 VanDerWaalsContact C-N 3.28Å; R45-F47 PolarHBondContact O-N 3.36Å; F47-R50 PolarHBondContact O-N 2.98Å; F47-H51 AromaticContact CE2-CD2 3.8Å; F47-H51 AromaticContact CZ-CD2 3.94Å; F47-H51 PolarHBondContact O-CD2 3.46Å; F47-H51 PolarHBondContact O-N 3.28Å; F47-I68 HydrophobicContact CE1-CG2 3.98Å; F47-I68 HydrophobicContact CZ-CG2 3.55Å; F47-I68 WeakPolarHBondContact CZ-O 3.33Å; F47-E71 HydrophobicContact CE2-CB 4Å; F47-E71 HydrophobicContact CE2-CG 3.77Å; F47-E71 HydrophobicContact CZ-CB 4.34Å; F47-Y72 AromaticContact CD1-CD2 3.72Å; F47-Y72 HydrophobicContact CD1-CD2 3.72Å; F47-Y72 AromaticContact CE1-CD2 3.58Å; F47-Y72 HydrophobicContact CE1-CD2 3.58Å; F47-Y72 HydrophobicContact CE1-CG 4.1Å; F47-Y72 HydrophobicContact CZ-CD2 4.37Å; F47-L75 HydrophobicContact CB-CD2 4.01Å; F47-L75 HydrophobicContact CD2-CD2 3.72Å; F47-L75 HydrophobicContact CG-CD2 4.12Å; F47-F124 HydrophobicContact CE1-CE2 4.47Å; F47-F128 AromaticContact CD1-CZ 3.93Å; F47-F128 HydrophobicContact CD1-CZ 3.93Å; F47-F128 AromaticContact CE1-CE2 3.97Å; F47-F128 HydrophobicContact CE1-CE2 3.97Å; F47-F128 AromaticContact CE1-CZ 3.63Å; F47-F128 HydrophobicContact CE1-CZ 3.63Å |
| 48 | L | 96.1 | Very high | 94 | Very high | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 176.9 | -66.6 | 177.1 | 0 | 0 | 0 | 111.6 | Q44 R45 R50 H51 Y52 M127 F128 Y131 | Q44-L48 HydrophobicContact CG-CD1 4.29Å; Q44-L48 WeakPolarHBondContact O-CG 3.5Å; Q44-L48 PolarHBondContact O-N 2.85Å; R45-L48 PolarHBondContact O-N 3.14Å; L48-R50 PolarHBondContact O-N 3.18Å; L48-H51 PolarHBondContact O-N 2.86Å; L48-H51 VanDerWaalsContact O-N 3.09Å; L48-Y52 WeakPolarHBondContact O-CB 3.41Å; L48-Y52 PolarHBondContact O-N 2.99Å; L48-M127 HydrophobicContact CD2-CE 3.72Å; L48-M127 HydrophobicContact CD2-CG 4.46Å; L48-M127 HydrophobicContact CD2-SD 4.13Å; L48-F128 HydrophobicContact CB-CE1 4.43Å; L48-F128 HydrophobicContact CD2-CD1 3.91Å; L48-F128 HydrophobicContact CD2-CD2 4.36Å; L48-F128 HydrophobicContact CD2-CE1 3.59Å; L48-F128 HydrophobicContact CD2-CE2 4.01Å; L48-F128 HydrophobicContact CD2-CG 4.32Å; L48-F128 HydrophobicContact CD2-CZ 3.64Å; L48-Y131 HydrophobicContact CB-CD1 3.95Å; L48-Y131 HydrophobicContact CB-CD2 4.15Å; L48-Y131 HydrophobicContact CB-CE1 3.74Å; L48-Y131 HydrophobicContact CB-CE2 3.93Å; L48-Y131 HydrophobicContact CB-CG 4.13Å; L48-Y131 HydrophobicContact CD1-CD2 3.6Å; L48-Y131 HydrophobicContact CD1-CE2 3.74Å; L48-Y131 HydrophobicContact CD1-CG 4.13Å; L48-Y131 HydrophobicContact CG-CD2 4.44Å; L48-Y131 HydrophobicContact CG-CE2 4.5Å |
| 49 | D | 96 | Very high | 93.7 | Very high | 60 Ų | 60 | 73.9 Ų | 73.9 | 32% | 0.321 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.1 | -33.5 | 177.7 | -86.4 | -37.4 | 0 | 0 | 0 | 112.8 | R45 Y52 Y131 K135 | R45-D49 WeakPolarHBondContact O-CB 3.33Å; R45-D49 PolarHBondContact O-N 3.35Å; D49-Y52 VanDerWaalsContact O-CD1 3.27Å; D49-Y52 WeakPolarHBondContact O-CD1 3.44Å; D49-Y52 WeakPolarHBondContact O-CE1 3.31Å; D49-Y131 VanDerWaalsContact CG-OH 3.28Å; D49-Y131 PolarHBondContact OD1-OH 3.01Å; D49-K135 WeakPolarHBondContact OD1-CE 3.46Å; D49-K135 IonicContact OD1-NZ 3.74Å; D49-K135 PolarHBondContact OD1-NZ 3.26Å; D49-K135 IonicContact OD2-NZ 3.8Å |
| 50 | R | 97 | Very high | 93.6 | Very high | 154 Ų | 154 | 75.7 Ų | 75.7 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -73.9 | -31.4 | 179 | 178.2 | 176.9 | 147.5 | -155.2 | -20.9 | 112.9 | T46 F47 L48 E71 | T46-R50 WeakPolarHBondContact O-CB 3.31Å; T46-R50 PolarHBondContact O-N 3.25Å; T46-R50 VanDerWaalsContact O-N 3.12Å; F47-R50 PolarHBondContact O-N 2.98Å; L48-R50 PolarHBondContact O-N 3.18Å; R50-E71 IonicContact CZ-OE1 3.54Å; R50-E71 IonicContact CZ-OE2 3.45Å; R50-E71 IonicContact NH1-OE1 3.98Å; R50-E71 PolarHBondContact NH1-OE1 3.43Å; R50-E71 VanDerWaalsContact NH2-CD 3.28Å; R50-E71 IonicContact NH2-OE1 2.6Å; R50-E71 PolarHBondContact NH2-OE1 3.48Å; R50-E71 IonicContact NH2-OE2 2.69Å; R50-E71 PolarHBondContact NH2-OE2 3.03Å |
| 51 | H | 96.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 78 Ų | 78 | 8% | 0.083 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -116.5 | -12.4 | -166.5 | -73.7 | -70.6 | 0 | 0 | 0 | 115.2 | F47 L48 L53 E54 I68 E71 F128 | F47-H51 AromaticContact CE2-CD2 3.8Å; F47-H51 AromaticContact CZ-CD2 3.94Å; F47-H51 PolarHBondContact O-CD2 3.46Å; F47-H51 PolarHBondContact O-N 3.28Å; L48-H51 PolarHBondContact O-N 2.86Å; L48-H51 VanDerWaalsContact O-N 3.09Å; H51-L53 PolarHBondContact O-N 2.87Å; H51-E54 WeakPolarHBondContact O-CB 3.37Å; H51-E54 PolarHBondContact O-N 3.41Å; H51-I68 HydrophobicContact CB-CG2 4Å; H51-E71 IonicContact NE2-OE2 2.69Å; H51-F128 HydrophobicContact CB-CE1 3.59Å; H51-F128 HydrophobicContact CB-CZ 3.67Å |
| 52 | Y | 94.6 | Very high | 93.7 | Very high | 52 Ų | 52 | 77.3 Ų | 77.3 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.6 | -171.6 | 80.2 | -82.7 | 0 | 0 | 0 | 115.1 | L48 D49 E54 F55 Y131 R132 K135 | L48-Y52 WeakPolarHBondContact O-CB 3.41Å; L48-Y52 PolarHBondContact O-N 2.99Å; D49-Y52 VanDerWaalsContact O-CD1 3.27Å; D49-Y52 WeakPolarHBondContact O-CD1 3.44Å; D49-Y52 WeakPolarHBondContact O-CE1 3.31Å; Y52-E54 VanDerWaalsContact C-N 3.28Å; Y52-E54 PolarHBondContact O-N 3.34Å; Y52-F55 PolarHBondContact O-N 3.18Å; Y52-Y131 HydrophobicContact CD1-CE1 4.46Å; Y52-Y131 HydrophobicContact CG-CD1 4.21Å; Y52-Y131 HydrophobicContact CG-CE1 4.39Å; Y52-R132 HydrophobicContact CD2-CB 3.89Å; Y52-R132 HydrophobicContact CD2-CG 3.88Å; Y52-R132 HydrophobicContact CE2-CG 4.43Å; Y52-K135 HydrophobicContact CE2-CB 4.32Å |
| 53 | L | 94.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 81.3 Ų | 81.3 | 53% | 0.534 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.7 | 177.3 | -68.4 | 175.1 | 0 | 0 | 0 | 113.6 | H51 F55 | H51-L53 PolarHBondContact O-N 2.87Å; L53-F55 VanDerWaalsContact C-N 3.31Å |
| 54 | E | 94.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 80.5 Ų | 80.5 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -32.5 | 176.9 | -70 | -65.8 | 135.3 | 0 | 0 | 111.3 | H51 Y52 K62 Y65 I68 | H51-E54 WeakPolarHBondContact O-CB 3.37Å; H51-E54 PolarHBondContact O-N 3.41Å; Y52-E54 VanDerWaalsContact C-N 3.28Å; Y52-E54 PolarHBondContact O-N 3.34Å; E54-K62 PolarHBondContact O-NZ 3.09Å; E54-Y65 VanDerWaalsContact O-CE1 3.3Å; E54-Y65 WeakPolarHBondContact O-CE1 3.2Å; E54-Y65 PolarHBondContact O-OH 3.46Å; E54-I68 HydrophobicContact CB-CD1 4.08Å; E54-I68 HydrophobicContact CG-CD1 4.14Å |
| 55 | F | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -85.4 | 131.7 | -173.3 | -71.7 | -95.1 | 0 | 0 | 0 | 112.4 | Y52 L53 Y65 I68 F124 K125 F128 R132 | Y52-F55 PolarHBondContact O-N 3.18Å; L53-F55 VanDerWaalsContact C-N 3.31Å; F55-Y65 WeakPolarHBondContact CA-OH 3.35Å; F55-Y65 HydrophobicContact CD1-CD1 4.01Å; F55-Y65 HydrophobicContact CD1-CD2 4.3Å; F55-Y65 AromaticContact CD1-CE1 3.86Å; F55-Y65 HydrophobicContact CD1-CE1 3.86Å; F55-Y65 HydrophobicContact CD1-CE2 4.15Å; F55-Y65 HydrophobicContact CD1-CG 4.24Å; F55-Y65 AromaticContact CD1-CZ 3.94Å; F55-Y65 HydrophobicContact CD2-CE1 4.49Å; F55-Y65 AromaticContact CE1-CD1 3.74Å; F55-Y65 HydrophobicContact CE1-CD1 3.74Å; F55-Y65 HydrophobicContact CE1-CD2 4.1Å; F55-Y65 HydrophobicContact CE1-CE1 4.08Å; F55-Y65 HydrophobicContact CE1-CE2 4.42Å; F55-Y65 AromaticContact CE1-CG 3.76Å; F55-Y65 HydrophobicContact CE1-CG 3.76Å; F55-Y65 HydrophobicContact CE2-CD1 4.42Å; F55-Y65 HydrophobicContact CG-CD1 4.47Å; F55-Y65 HydrophobicContact CG-CE1 4.08Å; F55-Y65 AromaticContact CZ-CD1 3.94Å; F55-Y65 HydrophobicContact CZ-CD1 3.94Å; F55-Y65 HydrophobicContact CZ-CE1 4.48Å; F55-Y65 HydrophobicContact CZ-CG 4.23Å; F55-I68 HydrophobicContact CE2-CD1 4.02Å; F55-I68 HydrophobicContact CE2-CG2 4.1Å; F55-I68 HydrophobicContact CZ-CB 4.47Å; F55-I68 HydrophobicContact CZ-CD1 4.42Å; F55-I68 HydrophobicContact CZ-CG2 4.28Å; F55-F124 HydrophobicContact CE1-CD1 4.35Å; F55-F124 AromaticContact CE1-CE1 3.8Å; F55-F124 HydrophobicContact CE1-CE1 3.8Å; F55-F124 HydrophobicContact CZ-CD1 4.42Å; F55-F124 AromaticContact CZ-CE1 3.49Å; F55-F124 HydrophobicContact CZ-CE1 3.49Å; F55-F124 VanDerWaalsContact CZ-CE1 3.49Å; F55-F124 AromaticContact CZ-CZ 3.88Å; F55-F124 HydrophobicContact CZ-CZ 3.88Å; F55-K125 HydrophobicContact CD1-CG 4.12Å; F55-F128 HydrophobicContact CB-CB 3.71Å; F55-F128 HydrophobicContact CB-CG 4.41Å; F55-F128 HydrophobicContact CD1-CB 3.81Å; F55-F128 HydrophobicContact CD1-CD2 4.35Å; F55-F128 HydrophobicContact CD1-CG 4.22Å; F55-F128 HydrophobicContact CD2-CB 3.65Å; F55-F128 AromaticContact CD2-CD1 3.62Å; F55-F128 HydrophobicContact CD2-CD1 3.62Å; F55-F128 AromaticContact CD2-CD2 3.81Å; F55-F128 HydrophobicContact CD2-CD2 3.81Å; F55-F128 HydrophobicContact CD2-CE1 4.12Å; F55-F128 HydrophobicContact CD2-CE2 4.32Å; F55-F128 AromaticContact CD2-CG 3.41Å; F55-F128 HydrophobicContact CD2-CG 3.41Å; F55-F128 VanDerWaalsContact CD2-CG 3.41Å; F55-F128 HydrophobicContact CD2-CZ 4.44Å; F55-F128 HydrophobicContact CE1-CB 4.34Å; F55-F128 HydrophobicContact CE1-CD2 4.05Å; F55-F128 HydrophobicContact CE1-CG 4.37Å; F55-F128 HydrophobicContact CE2-CB 4.21Å; F55-F128 AromaticContact CE2-CD1 3.93Å; F55-F128 HydrophobicContact CE2-CD1 3.93Å; F55-F128 AromaticContact CE2-CD2 3.47Å; F55-F128 HydrophobicContact CE2-CD2 3.47Å; F55-F128 VanDerWaalsContact CE2-CD2 3.47Å; F55-F128 HydrophobicContact CE2-CE1 4.06Å; F55-F128 AromaticContact CE2-CE2 3.66Å; F55-F128 HydrophobicContact CE2-CE2 3.66Å; F55-F128 AromaticContact CE2-CG 3.6Å; F55-F128 HydrophobicContact CE2-CG 3.6Å; F55-F128 AromaticContact CE2-CZ 3.93Å; F55-F128 HydrophobicContact CE2-CZ 3.93Å; F55-F128 HydrophobicContact CG-CB 3.43Å; F55-F128 VanDerWaalsContact CG-CB 3.43Å; F55-F128 HydrophobicContact CG-CD1 4.29Å; F55-F128 HydrophobicContact CG-CD2 4.24Å; F55-F128 AromaticContact CG-CG 3.75Å; F55-F128 HydrophobicContact CG-CG 3.75Å; F55-F128 AromaticContact CZ-CD2 3.61Å; F55-F128 HydrophobicContact CZ-CD2 3.61Å; F55-F128 AromaticContact CZ-CE2 3.93Å; F55-F128 HydrophobicContact CZ-CE2 3.93Å; F55-F128 HydrophobicContact CZ-CG 4.09Å; F55-R132 WeakPolarHBondContact O-CD 3.42Å; F55-R132 PolarHBondContact O-NH1 3.18Å | ||
| 56 | E | 90.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 76.8 Ų | 76.8 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | trans | -120.2 | 146 | -178.5 | -68.1 | 173.7 | -166.8 | 0 | 0 | 110.7 | S58 K62 Y65 | E56-S58 PolarHBondContact O-N 3.05Å; E56-K62 VanDerWaalsContact CD-NZ 3.3Å; E56-K62 VanDerWaalsContact OE1-CE 3.25Å; E56-K62 WeakPolarHBondContact OE1-CE 3.47Å; E56-K62 IonicContact OE1-NZ 3.91Å; E56-K62 PolarHBondContact OE1-NZ 3.12Å; E56-Y65 PolarHBondContact N-OH 3.3Å; E56-Y65 VanDerWaalsContact N-OH 3.1Å | ||
| 57 | E | 89.1 | Confident | 93.5 | Very high | 178 Ų | 178 | 79.1 Ų | 79.1 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -77.2 | 65.2 | 171.8 | -167.7 | -177.1 | -171.2 | 0 | 0 | 109.7 | V129 | E57-V129 HydrophobicContact CB-CG1 4.03Å; E57-V129 HydrophobicContact CG-CG1 4.09Å |
| 58 | S | 89.9 | Confident | 93.6 | Very high | 49 Ų | 49 | 79.3 Ų | 79.3 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -135.5 | 148.9 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | E56 E60 K125 | E56-S58 PolarHBondContact O-N 3.05Å; S58-E60 PolarHBondContact O-N 3.03Å; S58-E60 PolarHBondContact OG-N 3.36Å; S58-K125 WeakPolarHBondContact O-CE 3.49Å; S58-K125 PolarHBondContact O-NZ 3.03Å |
| 59 | D | 86.2 | Confident | 93.6 | Very high | 165 Ų | 165 | 80.3 Ų | 80.3 | 88% | 0.882 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -66.4 | -21.7 | 174.3 | -65.6 | -30.6 | 0 | 0 | 0 | 112.4 | ||
| 60 | E | 90.8 | Very high | 93.5 | Very high | 157 Ų | 157 | 81.3 Ų | 81.3 | 73% | 0.734 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -78 | 132.1 | 179 | -168.8 | 174.6 | 179 | 0 | 0 | 111.9 | S58 | S58-E60 PolarHBondContact O-N 3.03Å; S58-E60 PolarHBondContact OG-N 3.36Å |
| 61 | N | 92.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 77 Ų | 77 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 127.9 | 179.5 | -67.3 | -32.6 | 0 | 0 | 0 | 111.1 | Y65 K125 | N61-Y65 HydrophobicContact CB-CD2 4.06Å; N61-Y65 HydrophobicContact CB-CE2 4.48Å; N61-K125 PolarHBondContact OD1-NZ 3.27Å |
| 62 | K | 93.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 76.2 Ų | 76.2 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 147.2 | 173.6 | -61.1 | 178.1 | -175.1 | 167.9 | 0 | 110.2 | E54 E56 S64 Y65 | E54-K62 PolarHBondContact O-NZ 3.09Å; E56-K62 VanDerWaalsContact CD-NZ 3.3Å; E56-K62 VanDerWaalsContact OE1-CE 3.25Å; E56-K62 WeakPolarHBondContact OE1-CE 3.47Å; E56-K62 IonicContact OE1-NZ 3.91Å; E56-K62 PolarHBondContact OE1-NZ 3.12Å; K62-S64 PolarHBondContact O-N 3.31Å; K62-Y65 HydrophobicContact CB-CD1 3.9Å; K62-Y65 HydrophobicContact CB-CD2 4.42Å; K62-Y65 HydrophobicContact CB-CE1 3.77Å; K62-Y65 HydrophobicContact CB-CE2 4.31Å; K62-Y65 HydrophobicContact CB-CG 4.22Å; K62-Y65 HydrophobicContact CD-CE1 3.77Å; K62-Y65 HydrophobicContact CG-CE1 3.95Å; K62-Y65 HydrophobicContact CG-CE2 4.41Å; K62-Y65 WeakPolarHBondContact O-CB 3.45Å; K62-Y65 PolarHBondContact O-N 3.42Å |
| 63 | L | 92.6 | Very high | 93.4 | Very high | 165 Ų | 165 | 74.8 Ų | 74.8 | 86% | 0.864 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.6 | -28.1 | 173.7 | -67.5 | 174.5 | 0 | 0 | 0 | 112.8 | Y65 | L63-Y65 PolarHBondContact O-N 3.01Å |
| 64 | S | 94.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 75 Ų | 75 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -27.9 | 176 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | K62 T66 L67 I68 | K62-S64 PolarHBondContact O-N 3.31Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 3.19Å; S64-L67 PolarHBondContact O-N 3.46Å; S64-L67 VanDerWaalsContact O-N 3.12Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 3.14Å; S64-I68 VanDerWaalsContact O-N 3.09Å |
| 65 | Y | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | -176.6 | -62.9 | -9.5 | 0 | 0 | 0 | 112.3 | E54 F55 E56 N61 K62 L63 L67 I68 F69 F121 | E54-Y65 VanDerWaalsContact O-CE1 3.3Å; E54-Y65 WeakPolarHBondContact O-CE1 3.2Å; E54-Y65 PolarHBondContact O-OH 3.46Å; F55-Y65 WeakPolarHBondContact CA-OH 3.35Å; F55-Y65 HydrophobicContact CD1-CD1 4.01Å; F55-Y65 HydrophobicContact CD1-CD2 4.3Å; F55-Y65 AromaticContact CD1-CE1 3.86Å; F55-Y65 HydrophobicContact CD1-CE1 3.86Å; F55-Y65 HydrophobicContact CD1-CE2 4.15Å; F55-Y65 HydrophobicContact CD1-CG 4.24Å; F55-Y65 AromaticContact CD1-CZ 3.94Å; F55-Y65 HydrophobicContact CD2-CE1 4.49Å; F55-Y65 AromaticContact CE1-CD1 3.74Å; F55-Y65 HydrophobicContact CE1-CD1 3.74Å; F55-Y65 HydrophobicContact CE1-CD2 4.1Å; F55-Y65 HydrophobicContact CE1-CE1 4.08Å; F55-Y65 HydrophobicContact CE1-CE2 4.42Å; F55-Y65 AromaticContact CE1-CG 3.76Å; F55-Y65 HydrophobicContact CE1-CG 3.76Å; F55-Y65 HydrophobicContact CE2-CD1 4.42Å; F55-Y65 HydrophobicContact CG-CD1 4.47Å; F55-Y65 HydrophobicContact CG-CE1 4.08Å; F55-Y65 AromaticContact CZ-CD1 3.94Å; F55-Y65 HydrophobicContact CZ-CD1 3.94Å; F55-Y65 HydrophobicContact CZ-CE1 4.48Å; F55-Y65 HydrophobicContact CZ-CG 4.23Å; E56-Y65 PolarHBondContact N-OH 3.3Å; E56-Y65 VanDerWaalsContact N-OH 3.1Å; N61-Y65 HydrophobicContact CB-CD2 4.06Å; N61-Y65 HydrophobicContact CB-CE2 4.48Å; K62-Y65 HydrophobicContact CB-CD1 3.9Å; K62-Y65 HydrophobicContact CB-CD2 4.42Å; K62-Y65 HydrophobicContact CB-CE1 3.77Å; K62-Y65 HydrophobicContact CB-CE2 4.31Å; K62-Y65 HydrophobicContact CB-CG 4.22Å; K62-Y65 HydrophobicContact CD-CE1 3.77Å; K62-Y65 HydrophobicContact CG-CE1 3.95Å; K62-Y65 HydrophobicContact CG-CE2 4.41Å; K62-Y65 WeakPolarHBondContact O-CB 3.45Å; K62-Y65 PolarHBondContact O-N 3.42Å; L63-Y65 PolarHBondContact O-N 3.01Å; Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 PolarHBondContact O-N 3.45Å; Y65-I68 PolarHBondContact O-N 3.38Å; Y65-F69 WeakPolarHBondContact O-CB 3.39Å; Y65-F69 PolarHBondContact O-N 3.1Å; Y65-F121 AromaticContact CD2-CZ 3.97Å; Y65-F121 HydrophobicContact CD2-CZ 3.97Å; Y65-F121 HydrophobicContact CG-CZ 4.27Å |
| 66 | T | 94.1 | Very high | 93.3 | Very high | 79 Ų | 79 | 74.4 Ų | 74.4 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.2 | -53.6 | 0 | 0 | 0 | 0 | 112 | S64 N70 | S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 3.19Å; T66-N70 VanDerWaalsContact O-CG 3.24Å; T66-N70 PolarHBondContact O-N 2.91Å; T66-N70 PolarHBondContact O-ND2 3.45Å |
| 67 | L | 96.1 | Very high | 93.4 | Very high | 126 Ų | 126 | 71.8 Ų | 71.8 | 66% | 0.66 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | 178.1 | -63.2 | 177.5 | 0 | 0 | 0 | 111.1 | S64 Y65 N70 E71 | S64-L67 PolarHBondContact O-N 3.46Å; S64-L67 VanDerWaalsContact O-N 3.12Å; Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 PolarHBondContact O-N 3.45Å; L67-N70 PolarHBondContact O-N 3.05Å; L67-E71 PolarHBondContact O-N 2.76Å |
| 68 | I | 97.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 178.1 | -58.5 | 166.3 | 0 | 0 | 0 | 110.1 | F47 H51 E54 F55 S64 Y65 N70 E71 Y72 F124 F128 | F47-I68 HydrophobicContact CE1-CG2 3.98Å; F47-I68 HydrophobicContact CZ-CG2 3.55Å; F47-I68 WeakPolarHBondContact CZ-O 3.33Å; H51-I68 HydrophobicContact CB-CG2 4Å; E54-I68 HydrophobicContact CB-CD1 4.08Å; E54-I68 HydrophobicContact CG-CD1 4.14Å; F55-I68 HydrophobicContact CE2-CD1 4.02Å; F55-I68 HydrophobicContact CE2-CG2 4.1Å; F55-I68 HydrophobicContact CZ-CB 4.47Å; F55-I68 HydrophobicContact CZ-CD1 4.42Å; F55-I68 HydrophobicContact CZ-CG2 4.28Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 3.14Å; S64-I68 VanDerWaalsContact O-N 3.09Å; Y65-I68 PolarHBondContact O-N 3.38Å; I68-N70 PolarHBondContact O-N 3.17Å; I68-E71 PolarHBondContact O-N 3.02Å; I68-Y72 PolarHBondContact O-N 3.25Å; I68-F124 HydrophobicContact CG2-CZ 4.11Å; I68-F128 HydrophobicContact CG2-CE2 4.43Å; I68-F128 HydrophobicContact CG2-CZ 4.37Å |
| 69 | F | 96.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 68 Ų | 68 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.6 | -178.1 | -110.1 | 0 | 0 | 0 | 112.3 | Y65 E71 Y72 V73 T117 F118 F121 F124 | Y65-F69 WeakPolarHBondContact O-CB 3.39Å; Y65-F69 PolarHBondContact O-N 3.1Å; F69-E71 VanDerWaalsContact C-N 3.32Å; F69-E71 PolarHBondContact O-N 2.69Å; F69-Y72 WeakPolarHBondContact O-CB 3.32Å; F69-Y72 PolarHBondContact O-N 3Å; F69-V73 HydrophobicContact CE1-CG2 4.14Å; F69-V73 HydrophobicContact CE2-CG2 4.39Å; F69-V73 HydrophobicContact CZ-CG2 4.07Å; F69-V73 PolarHBondContact O-N 3.16Å; F69-T117 WeakPolarHBondContact CE2-O 3.03Å; F69-F118 WeakPolarHBondContact CZ-O 3.47Å; F69-F121 HydrophobicContact CB-CD2 4.22Å; F69-F121 HydrophobicContact CB-CE2 4.36Å; F69-F121 HydrophobicContact CD2-CD2 4.27Å; F69-F121 HydrophobicContact CG-CD2 4.09Å; F69-F124 HydrophobicContact CB-CD1 4.19Å; F69-F124 HydrophobicContact CB-CE1 3.74Å; F69-F124 HydrophobicContact CB-CZ 4.02Å; F69-F124 HydrophobicContact CD2-CB 3.88Å; F69-F124 AromaticContact CD2-CD1 3.5Å; F69-F124 HydrophobicContact CD2-CD1 3.5Å; F69-F124 AromaticContact CD2-CD2 3.72Å; F69-F124 HydrophobicContact CD2-CD2 3.72Å; F69-F124 AromaticContact CD2-CE1 3.83Å; F69-F124 HydrophobicContact CD2-CE1 3.83Å; F69-F124 HydrophobicContact CD2-CE2 4.04Å; F69-F124 AromaticContact CD2-CG 3.42Å; F69-F124 HydrophobicContact CD2-CG 3.42Å; F69-F124 VanDerWaalsContact CD2-CG 3.42Å; F69-F124 HydrophobicContact CD2-CZ 4.09Å; F69-F124 HydrophobicContact CE2-CB 3.83Å; F69-F124 HydrophobicContact CE2-CD1 4.32Å; F69-F124 HydrophobicContact CE2-CD2 4.22Å; F69-F124 AromaticContact CE2-CG 3.89Å; F69-F124 HydrophobicContact CE2-CG 3.89Å; F69-F124 HydrophobicContact CG-CD1 4.27Å; F69-F124 HydrophobicContact CG-CE1 4.28Å |
| 70 | N | 95.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 175.8 | -67.5 | -24.7 | 0 | 0 | 0 | 111.6 | T66 L67 I68 Y72 V73 E74 | T66-N70 VanDerWaalsContact O-CG 3.24Å; T66-N70 PolarHBondContact O-N 2.91Å; T66-N70 PolarHBondContact O-ND2 3.45Å; L67-N70 PolarHBondContact O-N 3.05Å; I68-N70 PolarHBondContact O-N 3.17Å; N70-Y72 VanDerWaalsContact C-N 3.32Å; N70-Y72 PolarHBondContact O-N 3.24Å; N70-V73 PolarHBondContact O-N 2.83Å; N70-E74 VanDerWaalsContact O-CG 3.23Å; N70-E74 WeakPolarHBondContact O-CG 3.23Å; N70-E74 PolarHBondContact O-N 2.98Å |
| 71 | E | 96.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.4 | -168 | 179.7 | 167.4 | 0 | 0 | 111.6 | F47 R50 H51 L67 I68 F69 E74 L75 | F47-E71 HydrophobicContact CE2-CB 4Å; F47-E71 HydrophobicContact CE2-CG 3.77Å; F47-E71 HydrophobicContact CZ-CB 4.34Å; R50-E71 IonicContact CZ-OE1 3.54Å; R50-E71 IonicContact CZ-OE2 3.45Å; R50-E71 IonicContact NH1-OE1 3.98Å; R50-E71 PolarHBondContact NH1-OE1 3.43Å; R50-E71 VanDerWaalsContact NH2-CD 3.28Å; R50-E71 IonicContact NH2-OE1 2.6Å; R50-E71 PolarHBondContact NH2-OE1 3.48Å; R50-E71 IonicContact NH2-OE2 2.69Å; R50-E71 PolarHBondContact NH2-OE2 3.03Å; H51-E71 IonicContact NE2-OE2 2.69Å; L67-E71 PolarHBondContact O-N 2.76Å; I68-E71 PolarHBondContact O-N 3.02Å; F69-E71 VanDerWaalsContact C-N 3.32Å; F69-E71 PolarHBondContact O-N 2.69Å; E71-E74 PolarHBondContact O-N 2.6Å; E71-L75 WeakPolarHBondContact O-CB 3.34Å; E71-L75 PolarHBondContact O-N 3.5Å |
| 72 | Y | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.9 | -49 | 176.2 | 179.9 | -103.4 | 0 | 0 | 0 | 112.1 | F47 I68 F69 N70 E74 L75 L76 T117 F118 F124 M127 | F47-Y72 AromaticContact CD1-CD2 3.72Å; F47-Y72 HydrophobicContact CD1-CD2 3.72Å; F47-Y72 AromaticContact CE1-CD2 3.58Å; F47-Y72 HydrophobicContact CE1-CD2 3.58Å; F47-Y72 HydrophobicContact CE1-CG 4.1Å; F47-Y72 HydrophobicContact CZ-CD2 4.37Å; I68-Y72 PolarHBondContact O-N 3.25Å; F69-Y72 WeakPolarHBondContact O-CB 3.32Å; F69-Y72 PolarHBondContact O-N 3Å; N70-Y72 VanDerWaalsContact C-N 3.32Å; N70-Y72 PolarHBondContact O-N 3.24Å; Y72-E74 PolarHBondContact O-N 3.06Å; Y72-L75 PolarHBondContact O-N 2.99Å; Y72-L76 HydrophobicContact CD2-CD1 3.59Å; Y72-L76 HydrophobicContact CE2-CD1 3.22Å; Y72-L76 PolarHBondContact O-N 3.06Å; Y72-T117 WeakPolarHBondContact CE1-OG1 3.25Å; Y72-T117 PolarHBondContact OH-OG1 3.46Å; Y72-F118 HydrophobicContact CD1-CD1 4.02Å; Y72-F118 HydrophobicContact CD1-CE1 4.29Å; Y72-F118 AromaticContact CE1-CD1 3.35Å; Y72-F118 HydrophobicContact CE1-CD1 3.35Å; Y72-F118 AromaticContact CE1-CE1 3.48Å; Y72-F118 HydrophobicContact CE1-CE1 3.48Å; Y72-F118 VanDerWaalsContact CE1-CE1 3.48Å; Y72-F118 HydrophobicContact CE1-CG 4.48Å; Y72-F118 AromaticContact CZ-CE1 3.69Å; Y72-F124 AromaticContact CD1-CD2 3.73Å; Y72-F124 HydrophobicContact CD1-CD2 3.73Å; Y72-F124 AromaticContact CD1-CE2 3.79Å; Y72-F124 HydrophobicContact CD1-CE2 3.79Å; Y72-F124 HydrophobicContact CD2-CD2 4.43Å; Y72-F124 AromaticContact CD2-CE2 3.96Å; Y72-F124 HydrophobicContact CD2-CE2 3.96Å; Y72-F124 HydrophobicContact CE1-CD2 4.05Å; Y72-F124 HydrophobicContact CE1-CE2 4.44Å; Y72-F124 AromaticContact CG-CD2 3.95Å; Y72-F124 HydrophobicContact CG-CD2 3.95Å; Y72-F124 AromaticContact CG-CE2 3.51Å; Y72-F124 HydrophobicContact CG-CE2 3.51Å; Y72-M127 HydrophobicContact CE2-CE 3.88Å |
| 73 | V | 92.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -58.8 | -47.7 | 176.6 | 160.3 | 0 | 0 | 0 | 0 | 111.4 | F69 N70 L75 E77 K78 | F69-V73 HydrophobicContact CE1-CG2 4.14Å; F69-V73 HydrophobicContact CE2-CG2 4.39Å; F69-V73 HydrophobicContact CZ-CG2 4.07Å; F69-V73 PolarHBondContact O-N 3.16Å; N70-V73 PolarHBondContact O-N 2.83Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.43Å; V73-E77 HydrophobicContact CG1-CB 4.26Å; V73-E77 WeakPolarHBondContact CG1-OE2 3.29Å; V73-E77 WeakPolarHBondContact O-CA 3.49Å; V73-E77 VanDerWaalsContact O-CB 3.29Å; V73-E77 WeakPolarHBondContact O-CB 3.04Å; V73-E77 PolarHBondContact O-N 2.83Å; V73-K78 PolarHBondContact O-N 3.45Å |
| 74 | E | 94.5 | Very high | 92.9 | Very high | 106 Ų | 106 | 48.6 Ų | 48.6 | 50% | 0.495 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -63.1 | -35.5 | 178.5 | -67.2 | -70.7 | 147.7 | 0 | 0 | 112.8 | N70 E71 Y72 K78 | N70-E74 VanDerWaalsContact O-CG 3.23Å; N70-E74 WeakPolarHBondContact O-CG 3.23Å; N70-E74 PolarHBondContact O-N 2.98Å; E71-E74 PolarHBondContact O-N 2.6Å; Y72-E74 PolarHBondContact O-N 3.06Å; E74-K78 WeakPolarHBondContact OE1-CE 3.48Å; E74-K78 IonicContact OE1-NZ 3.79Å; E74-K78 PolarHBondContact OE1-NZ 3.03Å; E74-K78 WeakPolarHBondContact OE2-CD 3.32Å; E74-K78 VanDerWaalsContact OE2-CE 3.25Å; E74-K78 WeakPolarHBondContact OE2-CE 3.39Å; E74-K78 IonicContact OE2-NZ 2.83Å; E74-K78 PolarHBondContact OE2-NZ 2.94Å |
| 75 | L | 94.7 | Very high | 92.6 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -83.3 | -33.1 | -173.5 | -165.9 | 80.5 | 0 | 0 | 0 | 113.1 | V43 F47 E71 Y72 V73 P79 | V43-L75 HydrophobicContact CG1-CD1 4.25Å; V43-L75 HydrophobicContact CG1-CD2 3.41Å; V43-L75 VanDerWaalsContact CG1-CD2 3.41Å; V43-L75 HydrophobicContact CG1-CG 3.56Å; F47-L75 HydrophobicContact CB-CD2 4.01Å; F47-L75 HydrophobicContact CD2-CD2 3.72Å; F47-L75 HydrophobicContact CG-CD2 4.12Å; E71-L75 WeakPolarHBondContact O-CB 3.34Å; E71-L75 PolarHBondContact O-N 3.5Å; Y72-L75 PolarHBondContact O-N 2.99Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.43Å; L75-P79 WeakPolarHBondContact O-CG 3.26Å |
| 76 | L | 91.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -123.1 | -42.6 | -170.1 | -68.5 | 168.3 | 0 | 0 | 0 | 113.6 | F40 V43 Q44 Y72 L80 F118 | F40-L76 HydrophobicContact CD2-CD2 4.12Å; F40-L76 HydrophobicContact CE1-CD2 4.08Å; F40-L76 HydrophobicContact CE2-CB 4.34Å; F40-L76 HydrophobicContact CE2-CD2 3.61Å; F40-L76 HydrophobicContact CZ-CB 4.24Å; F40-L76 HydrophobicContact CZ-CD2 3.57Å; F40-L76 HydrophobicContact CZ-CG 4.38Å; V43-L76 HydrophobicContact CB-CD2 4.3Å; V43-L76 HydrophobicContact CG1-CD2 3.77Å; V43-L76 HydrophobicContact CG1-CG 4.44Å; Q44-L76 HydrophobicContact CB-CD1 4.01Å; Q44-L76 HydrophobicContact CB-CD2 4.21Å; Q44-L76 HydrophobicContact CG-CD1 3.97Å; Y72-L76 HydrophobicContact CD2-CD1 3.59Å; Y72-L76 HydrophobicContact CE2-CD1 3.22Å; Y72-L76 PolarHBondContact O-N 3.06Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 PolarHBondContact O-N 3.41Å; L76-F118 HydrophobicContact CB-CE1 3.65Å; L76-F118 HydrophobicContact CB-CZ 4.11Å |
| 77 | E | 91.5 | Very high | 91.8 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -70.4 | -48.4 | 179.1 | -170.4 | -161.1 | 163.5 | 0 | 0 | 110.9 | V73 L80 E81 F118 | V73-E77 HydrophobicContact CG1-CB 4.26Å; V73-E77 WeakPolarHBondContact CG1-OE2 3.29Å; V73-E77 WeakPolarHBondContact O-CA 3.49Å; V73-E77 VanDerWaalsContact O-CB 3.29Å; V73-E77 WeakPolarHBondContact O-CB 3.04Å; V73-E77 PolarHBondContact O-N 2.83Å; E77-L80 WeakPolarHBondContact O-CB 3.36Å; E77-L80 PolarHBondContact O-N 3.19Å; E77-L80 VanDerWaalsContact O-N 3.16Å; E77-E81 PolarHBondContact O-N 3.33Å; E77-F118 HydrophobicContact CB-CB 4.13Å; E77-F118 HydrophobicContact CB-CD1 3.68Å; E77-F118 HydrophobicContact CB-CD2 4.43Å; E77-F118 HydrophobicContact CB-CE1 4.21Å; E77-F118 HydrophobicContact CB-CG 3.83Å; E77-F118 HydrophobicContact CG-CB 3.86Å; E77-F118 HydrophobicContact CG-CD1 4.29Å; E77-F118 HydrophobicContact CG-CD2 4.29Å; E77-F118 HydrophobicContact CG-CG 3.91Å |
| 78 | K | 89.8 | Confident | 91.2 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | -175.9 | -73 | -167.1 | 178.5 | 178.7 | 0 | 114 | V73 E74 L80 E81 E82 | V73-K78 PolarHBondContact O-N 3.45Å; E74-K78 WeakPolarHBondContact OE1-CE 3.48Å; E74-K78 IonicContact OE1-NZ 3.79Å; E74-K78 PolarHBondContact OE1-NZ 3.03Å; E74-K78 WeakPolarHBondContact OE2-CD 3.32Å; E74-K78 VanDerWaalsContact OE2-CE 3.25Å; E74-K78 WeakPolarHBondContact OE2-CE 3.39Å; E74-K78 IonicContact OE2-NZ 2.83Å; E74-K78 PolarHBondContact OE2-NZ 2.94Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 2.89Å; K78-E81 PolarHBondContact O-N 3.46Å; K78-E82 WeakPolarHBondContact O-CG 3.35Å; K78-E82 PolarHBondContact O-N 3.09Å |
| 79 | P | 90.1 | Very high | 90.4 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 175.4 | -25.6 | 37.4 | 0 | 0 | 0 | 112.7 | L75 Y83 | L75-P79 WeakPolarHBondContact O-CG 3.26Å; P79-Y83 WeakPolarHBondContact O-CB 3.44Å; P79-Y83 PolarHBondContact O-N 2.95Å |
| 80 | L | 89.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 174.8 | 177.3 | 63.5 | 0 | 0 | 0 | 110.9 | I31 I34 L76 E77 K78 E82 Y83 L84 L115 F118 | I31-L80 HydrophobicContact CG1-CD1 4.41Å; I34-L80 HydrophobicContact CB-CD1 4.3Å; I34-L80 HydrophobicContact CD1-CD1 3.37Å; I34-L80 HydrophobicContact CG1-CD1 4.47Å; I34-L80 HydrophobicContact CG2-CD1 4.17Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 PolarHBondContact O-N 3.41Å; E77-L80 WeakPolarHBondContact O-CB 3.36Å; E77-L80 PolarHBondContact O-N 3.19Å; E77-L80 VanDerWaalsContact O-N 3.16Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 2.89Å; L80-E82 PolarHBondContact O-N 3.35Å; L80-Y83 PolarHBondContact O-N 2.9Å; L80-L84 HydrophobicContact CD1-CD1 4.38Å; L80-L84 HydrophobicContact CD1-CG 4.45Å; L80-L84 HydrophobicContact CG-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CG 3.42Å; L80-L84 PolarHBondContact O-N 3.42Å; L80-L115 HydrophobicContact CD2-CD2 3.85Å; L80-F118 HydrophobicContact CD2-CD2 4.35Å; L80-F118 HydrophobicContact CD2-CE2 3.62Å; L80-F118 HydrophobicContact CD2-CZ 4.34Å |
| 81 | E | 88.9 | Confident | 89.1 | Confident | 51 Ų | 51 | 61 Ų | 61 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57 | -47.6 | 175.8 | -176.3 | -177.1 | -168.6 | 0 | 0 | 111.2 | E77 K78 Y83 L84 M85 F91 M93 | E77-E81 PolarHBondContact O-N 3.33Å; K78-E81 PolarHBondContact O-N 3.46Å; E81-Y83 VanDerWaalsContact C-N 3.3Å; E81-Y83 PolarHBondContact O-N 2.59Å; E81-L84 PolarHBondContact O-N 3.37Å; E81-M85 HydrophobicContact CG-CE 3.67Å; E81-M85 HydrophobicContact CG-SD 4.34Å; E81-M85 WeakPolarHBondContact O-CB 3.32Å; E81-M85 WeakPolarHBondContact O-CG 3.45Å; E81-M85 PolarHBondContact O-N 2.74Å; E81-M85 WeakPolarHBondContact OE1-CE 3.28Å; E81-F91 HydrophobicContact CG-CE1 4.43Å; E81-M93 HydrophobicContact CG-SD 4.41Å |
| 82 | E | 88.9 | Confident | 88.5 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 51% | 0.514 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 178 | -77.3 | -170.3 | -168.9 | 0 | 0 | 112.8 | K78 L80 K86 | K78-E82 WeakPolarHBondContact O-CG 3.35Å; K78-E82 PolarHBondContact O-N 3.09Å; L80-E82 PolarHBondContact O-N 3.35Å; E82-K86 WeakPolarHBondContact O-CD 3.35Å; E82-K86 VanDerWaalsContact O-CG 3.24Å; E82-K86 WeakPolarHBondContact O-CG 3.28Å; E82-K86 PolarHBondContact O-N 3.2Å; E82-K86 VanDerWaalsContact O-N 3.17Å; E82-K86 IonicContact OE2-NZ 3.02Å; E82-K86 PolarHBondContact OE2-NZ 2.96Å |
| 83 | Y | 88 | Confident | 87.7 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 176.3 | -178.4 | -83.5 | 0 | 0 | 0 | 111 | C30 E33 I34 P79 L80 E81 M85 K86 K87 | C30-Y83 HydrophobicContact CB-CE1 4.31Å; E33-Y83 PolarHBondContact OE2-OH 3.22Å; I34-Y83 HydrophobicContact CD1-CD1 3.01Å; I34-Y83 HydrophobicContact CD1-CD2 4.33Å; I34-Y83 HydrophobicContact CD1-CE1 3.36Å; I34-Y83 HydrophobicContact CD1-CG 3.52Å; I34-Y83 HydrophobicContact CG1-CD1 3.58Å; I34-Y83 HydrophobicContact CG1-CD2 4.19Å; I34-Y83 HydrophobicContact CG1-CE1 3.51Å; I34-Y83 HydrophobicContact CG1-CE2 4.2Å; I34-Y83 HydrophobicContact CG1-CG 3.87Å; P79-Y83 WeakPolarHBondContact O-CB 3.44Å; P79-Y83 PolarHBondContact O-N 2.95Å; L80-Y83 PolarHBondContact O-N 2.9Å; E81-Y83 VanDerWaalsContact C-N 3.3Å; E81-Y83 PolarHBondContact O-N 2.59Å; Y83-M85 VanDerWaalsContact C-N 3.33Å; Y83-M85 PolarHBondContact O-N 3.43Å; Y83-K86 WeakPolarHBondContact O-CB 3.42Å; Y83-K86 PolarHBondContact O-N 3.26Å; Y83-K86 VanDerWaalsContact O-N 3.11Å; Y83-K87 HydrophobicContact CD1-CG 3.93Å; Y83-K87 HydrophobicContact CE1-CD 4.39Å; Y83-K87 HydrophobicContact CE1-CG 3.61Å; Y83-K87 PolarHBondContact O-N 3.35Å; Y83-K87 VanDerWaalsContact OH-CE 3.25Å; Y83-K87 WeakPolarHBondContact OH-CE 3.35Å; Y83-K87 PolarHBondContact OH-NZ 2.83Å |
| 84 | L | 88.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.8 | -67.1 | 175.6 | 0 | 0 | 0 | 111.5 | C30 I31 L80 E81 K86 K87 I88 F91 | C30-L84 HydrophobicContact CB-CD2 3.93Å; I31-L84 HydrophobicContact CD1-CD1 4.14Å; I31-L84 HydrophobicContact CG1-CD1 3.98Å; I31-L84 HydrophobicContact CG1-CD2 3.85Å; I31-L84 HydrophobicContact CG1-CG 4.46Å; L80-L84 HydrophobicContact CD1-CD1 4.38Å; L80-L84 HydrophobicContact CD1-CG 4.45Å; L80-L84 HydrophobicContact CG-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CG 3.42Å; L80-L84 PolarHBondContact O-N 3.42Å; E81-L84 PolarHBondContact O-N 3.37Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.15Å; L84-K87 PolarHBondContact O-N 3.47Å; L84-I88 WeakPolarHBondContact O-CB 3.47Å; L84-I88 PolarHBondContact O-N 3.16Å; L84-F91 HydrophobicContact CB-CD1 4.15Å; L84-F91 HydrophobicContact CB-CD2 4.24Å; L84-F91 HydrophobicContact CB-CE1 3.92Å; L84-F91 HydrophobicContact CB-CE2 4.01Å; L84-F91 HydrophobicContact CB-CG 4.3Å; L84-F91 HydrophobicContact CB-CZ 3.84Å; L84-F91 HydrophobicContact CD1-CE1 4.3Å; L84-F91 HydrophobicContact CD1-CE2 4.04Å; L84-F91 HydrophobicContact CD1-CZ 3.63Å; L84-F91 HydrophobicContact CG-CZ 4.38Å |
| 85 | M | 88.6 | Confident | 86.7 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 174.2 | -73.8 | -174.6 | 179.5 | 0 | 0 | 113.5 | E81 Y83 F91 | E81-M85 HydrophobicContact CG-CE 3.67Å; E81-M85 HydrophobicContact CG-SD 4.34Å; E81-M85 WeakPolarHBondContact O-CB 3.32Å; E81-M85 WeakPolarHBondContact O-CG 3.45Å; E81-M85 PolarHBondContact O-N 2.74Å; E81-M85 WeakPolarHBondContact OE1-CE 3.28Å; Y83-M85 VanDerWaalsContact C-N 3.33Å; Y83-M85 PolarHBondContact O-N 3.43Å; M85-F91 HydrophobicContact CE-CD1 4.46Å; M85-F91 HydrophobicContact CG-CB 4.35Å; M85-F91 HydrophobicContact CG-CD1 3.71Å; M85-F91 HydrophobicContact CG-CG 4.47Å |
| 86 | K | 88.3 | Confident | 86.2 | Confident | 157 Ų | 157 | 60.4 Ų | 60.4 | 68% | 0.683 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -73.2 | -34.2 | 176.7 | -73 | 163.6 | -170.2 | 153.3 | 0 | 112 | E82 Y83 L84 | E82-K86 WeakPolarHBondContact O-CD 3.35Å; E82-K86 VanDerWaalsContact O-CG 3.24Å; E82-K86 WeakPolarHBondContact O-CG 3.28Å; E82-K86 PolarHBondContact O-N 3.2Å; E82-K86 VanDerWaalsContact O-N 3.17Å; E82-K86 IonicContact OE2-NZ 3.02Å; E82-K86 PolarHBondContact OE2-NZ 2.96Å; Y83-K86 WeakPolarHBondContact O-CB 3.42Å; Y83-K86 PolarHBondContact O-N 3.26Å; Y83-K86 VanDerWaalsContact O-N 3.11Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.15Å |
| 87 | K | 84.6 | Confident | 85.8 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 47% | 0.47 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -84.5 | -34.9 | -177.6 | -71.1 | -73.3 | -179.3 | 123.8 | 0 | 113.1 | E33 Y83 L84 | E33-K87 IonicContact OE2-NZ 2.75Å; Y83-K87 HydrophobicContact CD1-CG 3.93Å; Y83-K87 HydrophobicContact CE1-CD 4.39Å; Y83-K87 HydrophobicContact CE1-CG 3.61Å; Y83-K87 PolarHBondContact O-N 3.35Å; Y83-K87 VanDerWaalsContact OH-CE 3.25Å; Y83-K87 WeakPolarHBondContact OH-CE 3.35Å; Y83-K87 PolarHBondContact OH-NZ 2.83Å; L84-K87 PolarHBondContact O-N 3.47Å |
| 88 | I | 83 | Confident | 85.5 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 21% | 0.205 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -117.4 | 102.4 | -172.8 | -54.7 | 175.7 | 0 | 0 | 0 | 108.8 | L27 L84 G90 F91 | L27-I88 HydrophobicContact CB-CD1 3.8Å; L27-I88 HydrophobicContact CD1-CD1 3.91Å; L27-I88 HydrophobicContact CG-CD1 3.7Å; L84-I88 WeakPolarHBondContact O-CB 3.47Å; L84-I88 PolarHBondContact O-N 3.16Å; I88-G90 PolarHBondContact O-N 3.41Å; I88-F91 HydrophobicContact CB-CB 4.1Å; I88-F91 HydrophobicContact CB-CD2 4.42Å; I88-F91 HydrophobicContact CD1-CD2 4.24Å; I88-F91 HydrophobicContact CG2-CB 4.25Å; I88-F91 VanDerWaalsContact O-CB 3.28Å; I88-F91 WeakPolarHBondContact O-CB 3.46Å; I88-F91 PolarHBondContact O-N 2.92Å; I88-F91 VanDerWaalsContact O-N 3.11Å |
| 89 | P | 81.8 | Confident | 85.2 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 81% | 0.812 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 127.8 | 177 | -22.9 | 33.3 | 0 | 0 | 0 | 111.6 | F91 | P89-F91 VanDerWaalsContact C-N 3.33Š|
| 90 | G | 81.4 | Confident | 85 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 85% | 0.845 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 12.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I88 N92 | I88-G90 PolarHBondContact O-N 3.41Å; G90-N92 PolarHBondContact O-N 3.02Å |
| 91 | F | 83.1 | Confident | 84.8 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 11% | 0.114 | 37% | 0.368 | C | S | . | . | trans | -53 | 137.8 | 172.5 | -177.9 | -97.8 | 0 | 0 | 0 | 111.9 | L27 E81 L84 M85 I88 P89 M93 F96 | L27-F91 HydrophobicContact CD1-CD2 4.21Å; L27-F91 HydrophobicContact CD1-CE2 3.77Å; L27-F91 HydrophobicContact CG-CE2 4.42Å; E81-F91 HydrophobicContact CG-CE1 4.43Å; L84-F91 HydrophobicContact CB-CD1 4.15Å; L84-F91 HydrophobicContact CB-CD2 4.24Å; L84-F91 HydrophobicContact CB-CE1 3.92Å; L84-F91 HydrophobicContact CB-CE2 4.01Å; L84-F91 HydrophobicContact CB-CG 4.3Å; L84-F91 HydrophobicContact CB-CZ 3.84Å; L84-F91 HydrophobicContact CD1-CE1 4.3Å; L84-F91 HydrophobicContact CD1-CE2 4.04Å; L84-F91 HydrophobicContact CD1-CZ 3.63Å; L84-F91 HydrophobicContact CG-CZ 4.38Å; M85-F91 HydrophobicContact CE-CD1 4.46Å; M85-F91 HydrophobicContact CG-CB 4.35Å; M85-F91 HydrophobicContact CG-CD1 3.71Å; M85-F91 HydrophobicContact CG-CG 4.47Å; I88-F91 HydrophobicContact CB-CB 4.1Å; I88-F91 HydrophobicContact CB-CD2 4.42Å; I88-F91 HydrophobicContact CD1-CD2 4.24Å; I88-F91 HydrophobicContact CG2-CB 4.25Å; I88-F91 VanDerWaalsContact O-CB 3.28Å; I88-F91 WeakPolarHBondContact O-CB 3.46Å; I88-F91 PolarHBondContact O-N 2.92Å; I88-F91 VanDerWaalsContact O-N 3.11Å; P89-F91 VanDerWaalsContact C-N 3.33Å; F91-M93 HydrophobicContact CE1-CB 4.39Å; F91-M93 HydrophobicContact CE1-SD 3.48Å; F91-M93 WeakPolarHBondContact CE1-SD 3.5Å; F91-M93 HydrophobicContact CZ-SD 3.43Å; F91-M93 WeakPolarHBondContact CZ-SD 3.43Å; F91-F96 HydrophobicContact CE2-CB 3.85Å; F91-F96 HydrophobicContact CE2-CG 4.12Å; F91-F96 HydrophobicContact CZ-CB 3.86Å; F91-F96 HydrophobicContact CZ-CD1 4.23Å; F91-F96 HydrophobicContact CZ-CG 4.07Å | ||
| 92 | N | 81.9 | Confident | 84.7 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | trans | -137.8 | 125.7 | 176.1 | 179.9 | -80.1 | 0 | 0 | 0 | 109.2 | G90 A94 S95 F96 | G90-N92 PolarHBondContact O-N 3.02Å; N92-A94 VanDerWaalsContact C-N 3.33Å; N92-A94 PolarHBondContact O-N 2.81Å; N92-A94 WeakPolarHBondContact OD1-CA 3.37Å; N92-A94 WeakPolarHBondContact OD1-CB 3.24Å; N92-A94 PolarHBondContact OD1-N 3.3Å; N92-S95 PolarHBondContact O-N 3.13Å; N92-S95 PolarHBondContact OD1-N 3.22Å; N92-F96 PolarHBondContact O-N 2.67Å | ||
| 93 | M | 80.7 | Confident | 84.5 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 14% | 0.143 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | -174.6 | -152.5 | 56.4 | 173.8 | 0 | 0 | 112.7 | E81 F91 S95 F96 T97 | E81-M93 HydrophobicContact CG-SD 4.41Å; F91-M93 HydrophobicContact CE1-CB 4.39Å; F91-M93 HydrophobicContact CE1-SD 3.48Å; F91-M93 WeakPolarHBondContact CE1-SD 3.5Å; F91-M93 HydrophobicContact CZ-SD 3.43Å; F91-M93 WeakPolarHBondContact CZ-SD 3.43Å; M93-S95 PolarHBondContact O-N 3.11Å; M93-F96 HydrophobicContact CE-CD1 3.86Å; M93-F96 HydrophobicContact CE-CE1 4.06Å; M93-F96 WeakPolarHBondContact O-CB 3.25Å; M93-F96 PolarHBondContact O-N 2.91Å; M93-F96 HydrophobicContact SD-CD1 3.68Å; M93-F96 HydrophobicContact SD-CE1 4.44Å; M93-F96 HydrophobicContact SD-CG 4.49Å; M93-T97 PolarHBondContact O-N 2.88Å; M93-T97 PolarHBondContact O-OG1 3.03Å |
| 94 | A | 82.5 | Confident | 84.3 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 49% | 0.488 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.3 | -33.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N92 Q98 | N92-A94 VanDerWaalsContact C-N 3.33Å; N92-A94 PolarHBondContact O-N 2.81Å; N92-A94 WeakPolarHBondContact OD1-CA 3.37Å; N92-A94 WeakPolarHBondContact OD1-CB 3.24Å; N92-A94 PolarHBondContact OD1-N 3.3Å; A94-Q98 PolarHBondContact O-N 3.21Å; A94-Q98 PolarHBondContact O-NE2 2.95Å |
| 95 | S | 83.4 | Confident | 84.2 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.9 | -40.1 | 170.9 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | N92 M93 Q98 L99 | N92-S95 PolarHBondContact O-N 3.13Å; N92-S95 PolarHBondContact OD1-N 3.22Å; M93-S95 PolarHBondContact O-N 3.11Å; S95-Q98 PolarHBondContact O-N 3.36Å; S95-L99 PolarHBondContact O-N 3.17Å; S95-L99 VanDerWaalsContact O-N 3.1Å |
| 96 | F | 84.2 | Confident | 84.1 | Confident | 9 Ų | 9 | 80.4 Ų | 80.4 | 4% | 0.039 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.1 | 167.8 | -116.1 | 0 | 0 | 0 | 112.2 | L27 I31 F91 N92 M93 Q98 L99 L100 L115 | L27-F96 HydrophobicContact CD1-CD2 3.72Å; L27-F96 HydrophobicContact CD1-CE2 4.3Å; L27-F96 HydrophobicContact CD1-CG 4.47Å; L27-F96 HydrophobicContact CD2-CD2 3.45Å; L27-F96 VanDerWaalsContact CD2-CD2 3.45Å; L27-F96 HydrophobicContact CD2-CE2 3.14Å; L27-F96 HydrophobicContact CD2-CG 4.46Å; L27-F96 HydrophobicContact CD2-CZ 3.93Å; L27-F96 HydrophobicContact CG-CD2 4.25Å; L27-F96 HydrophobicContact CG-CE2 4.36Å; I31-F96 HydrophobicContact CD1-CE1 4.19Å; I31-F96 HydrophobicContact CD1-CE2 3.97Å; I31-F96 HydrophobicContact CD1-CZ 3.45Å; I31-F96 VanDerWaalsContact CD1-CZ 3.45Å; F91-F96 HydrophobicContact CE2-CB 3.85Å; F91-F96 HydrophobicContact CE2-CG 4.12Å; F91-F96 HydrophobicContact CZ-CB 3.86Å; F91-F96 HydrophobicContact CZ-CD1 4.23Å; F91-F96 HydrophobicContact CZ-CG 4.07Å; N92-F96 PolarHBondContact O-N 2.67Å; M93-F96 HydrophobicContact CE-CD1 3.86Å; M93-F96 HydrophobicContact CE-CE1 4.06Å; M93-F96 WeakPolarHBondContact O-CB 3.25Å; M93-F96 PolarHBondContact O-N 2.91Å; M93-F96 HydrophobicContact SD-CD1 3.68Å; M93-F96 HydrophobicContact SD-CE1 4.44Å; M93-F96 HydrophobicContact SD-CG 4.49Å; F96-Q98 VanDerWaalsContact C-N 3.27Å; F96-Q98 PolarHBondContact O-N 3.43Å; F96-L99 PolarHBondContact O-N 3.31Å; F96-L99 VanDerWaalsContact O-N 3.14Å; F96-L100 HydrophobicContact CE1-CD2 4.3Å; F96-L100 HydrophobicContact CE2-CB 4.14Å; F96-L100 HydrophobicContact CE2-CD1 4.24Å; F96-L100 HydrophobicContact CZ-CB 4.29Å; F96-L100 HydrophobicContact CZ-CD1 4.14Å; F96-L100 HydrophobicContact CZ-CD2 4Å; F96-L100 HydrophobicContact CZ-CG 4.38Å; F96-L100 WeakPolarHBondContact O-CB 3.36Å; F96-L100 PolarHBondContact O-N 3.39Å; F96-L115 HydrophobicContact CZ-CD1 4.09Å |
| 97 | T | 83.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 30% | 0.301 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 178.7 | -51.7 | 0 | 0 | 0 | 0 | 112.1 | M93 L100 M101 | M93-T97 PolarHBondContact O-N 2.88Å; M93-T97 PolarHBondContact O-OG1 3.03Å; T97-L100 PolarHBondContact O-N 2.89Å; T97-M101 WeakPolarHBondContact O-CG 3.49Å; T97-M101 PolarHBondContact O-N 3.17Å; T97-M101 VanDerWaalsContact O-N 3.13Å |
| 98 | Q | 84.3 | Confident | 84.3 | Confident | 124 Ų | 124 | 71.3 Ų | 71.3 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.2 | -48.5 | 175.9 | -76.6 | 168.8 | 73.7 | 0 | 0 | 111.3 | A94 S95 F96 L100 M101 E102 | A94-Q98 PolarHBondContact O-N 3.21Å; A94-Q98 PolarHBondContact O-NE2 2.95Å; S95-Q98 PolarHBondContact O-N 3.36Å; F96-Q98 VanDerWaalsContact C-N 3.27Å; F96-Q98 PolarHBondContact O-N 3.43Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.84Å; Q98-M101 PolarHBondContact O-N 3.4Å; Q98-M101 VanDerWaalsContact O-N 3.15Å; Q98-E102 WeakPolarHBondContact O-CG 3.1Å; Q98-E102 PolarHBondContact O-N 3.43Å |
| 99 | L | 83.4 | Confident | 84.5 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 179.8 | -166.8 | 66.3 | 0 | 0 | 0 | 111.8 | F24 S95 F96 M101 E102 H103 | F24-L99 HydrophobicContact CB-CD2 4.05Å; F24-L99 HydrophobicContact CD2-CB 4.46Å; F24-L99 HydrophobicContact CD2-CD2 3.46Å; F24-L99 VanDerWaalsContact CD2-CD2 3.46Å; F24-L99 HydrophobicContact CD2-CG 3.53Å; F24-L99 HydrophobicContact CE2-CD2 4.3Å; F24-L99 HydrophobicContact CE2-CG 3.99Å; F24-L99 HydrophobicContact CG-CD2 4.15Å; F24-L99 HydrophobicContact CG-CG 4.26Å; S95-L99 PolarHBondContact O-N 3.17Å; S95-L99 VanDerWaalsContact O-N 3.1Å; F96-L99 PolarHBondContact O-N 3.31Å; F96-L99 VanDerWaalsContact O-N 3.14Å; L99-M101 VanDerWaalsContact C-N 3.31Å; L99-M101 PolarHBondContact O-N 3.24Å; L99-E102 PolarHBondContact O-N 2.97Å; L99-H103 VanDerWaalsContact CD1-CD2 3.5Å; L99-H103 WeakPolarHBondContact CD1-CD2 3.4Å; L99-H103 PolarHBondContact O-CD2 3.2Å; L99-H103 PolarHBondContact O-N 3.36Å |
| 100 | L | 86.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 175.5 | -174.1 | 68.6 | 0 | 0 | 0 | 112 | I28 F96 T97 Q98 K104 V107 F112 L115 | I28-L100 HydrophobicContact CD1-CD1 4.19Å; F96-L100 HydrophobicContact CE1-CD2 4.3Å; F96-L100 HydrophobicContact CE2-CB 4.14Å; F96-L100 HydrophobicContact CE2-CD1 4.24Å; F96-L100 HydrophobicContact CZ-CB 4.29Å; F96-L100 HydrophobicContact CZ-CD1 4.14Å; F96-L100 HydrophobicContact CZ-CD2 4Å; F96-L100 HydrophobicContact CZ-CG 4.38Å; F96-L100 WeakPolarHBondContact O-CB 3.36Å; F96-L100 PolarHBondContact O-N 3.39Å; T97-L100 PolarHBondContact O-N 2.89Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.84Å; L100-K104 WeakPolarHBondContact O-CA 3.4Å; L100-K104 PolarHBondContact O-N 3Å; L100-K104 VanDerWaalsContact O-N 3.15Å; L100-V107 HydrophobicContact CD1-CG2 3.95Å; L100-F112 HydrophobicContact CD1-CD2 4.15Å; L100-F112 HydrophobicContact CD2-CD2 4.5Å; L100-F112 HydrophobicContact CD2-CE2 4.49Å; L100-F112 HydrophobicContact CG-CD2 4.08Å; L100-F112 HydrophobicContact CG-CE2 4.02Å; L100-L115 HydrophobicContact CD1-CD1 4Å; L100-L115 HydrophobicContact CD2-CB 4.08Å; L100-L115 HydrophobicContact CD2-CD1 3.93Å |
| 101 | M | 85.8 | Confident | 85.1 | Confident | 87 Ų | 87 | 72.8 Ų | 72.8 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.9 | -35.8 | 176.8 | -67.2 | -59.9 | 107.5 | 0 | 0 | 112.6 | T97 Q98 L99 F112 | T97-M101 WeakPolarHBondContact O-CG 3.49Å; T97-M101 PolarHBondContact O-N 3.17Å; T97-M101 VanDerWaalsContact O-N 3.13Å; Q98-M101 PolarHBondContact O-N 3.4Å; Q98-M101 VanDerWaalsContact O-N 3.15Å; L99-M101 VanDerWaalsContact C-N 3.31Å; L99-M101 PolarHBondContact O-N 3.24Å; M101-F112 HydrophobicContact CE-CE2 3.41Å; M101-F112 VanDerWaalsContact CE-CE2 3.41Å; M101-F112 HydrophobicContact CE-CZ 3.37Å; M101-F112 HydrophobicContact SD-CE2 4.44Å; M101-F112 HydrophobicContact SD-CZ 4.07Å |
| 102 | E | 86.3 | Confident | 85.5 | Confident | 148 Ų | 148 | 73 Ų | 73 | 69% | 0.692 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.6 | -38.8 | 177.6 | -73.5 | 179.2 | 172.3 | 0 | 0 | 112.1 | Q98 L99 | Q98-E102 WeakPolarHBondContact O-CG 3.1Å; Q98-E102 PolarHBondContact O-N 3.43Å; L99-E102 PolarHBondContact O-N 2.97Å |
| 103 | H | 84.7 | Confident | 85.9 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 24.7 | -177.5 | -65.7 | -87.2 | 0 | 0 | 0 | 113.5 | F24 L99 E105 E106 | F24-H103 HydrophobicContact CD1-CB 3.97Å; F24-H103 HydrophobicContact CE1-CB 3.37Å; F24-H103 HydrophobicContact CE2-CB 4.28Å; F24-H103 HydrophobicContact CZ-CB 3.53Å; L99-H103 VanDerWaalsContact CD1-CD2 3.5Å; L99-H103 WeakPolarHBondContact CD1-CD2 3.4Å; L99-H103 PolarHBondContact O-CD2 3.2Å; L99-H103 PolarHBondContact O-N 3.36Å; H103-E105 PolarHBondContact O-N 3.22Å; H103-E106 IonicContact CE1-OE1 3.82Å; H103-E106 IonicContact CG-OE1 2.84Å; H103-E106 IonicContact ND1-OE1 2.8Å; H103-E106 PolarHBondContact ND1-OE1 2.82Å; H103-E106 IonicContact ND1-OE2 3.78Å; H103-E106 WeakPolarHBondContact O-CB 3.47Å; H103-E106 PolarHBondContact O-N 3Å |
| 104 | K | 84.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -54.1 | -31.4 | -176.1 | 71.6 | 175.2 | -171.4 | 168.9 | 0 | 113.8 | L100 E106 V107 F112 | L100-K104 WeakPolarHBondContact O-CA 3.4Å; L100-K104 PolarHBondContact O-N 3Å; L100-K104 VanDerWaalsContact O-N 3.15Å; K104-E106 PolarHBondContact O-N 3.07Å; K104-V107 PolarHBondContact O-N 3.12Å; K104-F112 HydrophobicContact CB-CD2 4.16Å; K104-F112 HydrophobicContact CB-CE2 3.61Å; K104-F112 HydrophobicContact CB-CZ 4.07Å |
| 105 | E | 86.5 | Confident | 86.8 | Confident | 179 Ų | 179 | 70.6 Ų | 70.6 | 84% | 0.836 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -75.8 | -13.1 | -177.3 | -58.3 | -171.6 | 168.5 | 0 | 0 | 112.7 | H103 | H103-E105 PolarHBondContact O-N 3.22Š|
| 106 | E | 86 | Confident | 87.2 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -96.5 | -12.7 | 179.7 | -60.9 | 172.4 | -139.8 | 0 | 0 | 112.1 | H103 K104 | H103-E106 IonicContact CE1-OE1 3.82Å; H103-E106 IonicContact CG-OE1 2.84Å; H103-E106 IonicContact ND1-OE1 2.8Å; H103-E106 PolarHBondContact ND1-OE1 2.82Å; H103-E106 IonicContact ND1-OE2 3.78Å; H103-E106 WeakPolarHBondContact O-CB 3.47Å; H103-E106 PolarHBondContact O-N 3Å; K104-E106 PolarHBondContact O-N 3.07Å |
| 107 | V | 87.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -95.6 | 132.6 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | F24 I28 L100 K104 D109 I111 F112 | F24-V107 HydrophobicContact CE1-CG2 3.92Å; F24-V107 HydrophobicContact CZ-CG2 3.58Å; I28-V107 HydrophobicContact CD1-CG1 4.32Å; I28-V107 HydrophobicContact CD1-CG2 3.75Å; I28-V107 HydrophobicContact CG1-CG2 4.13Å; L100-V107 HydrophobicContact CD1-CG2 3.95Å; K104-V107 PolarHBondContact O-N 3.12Å; V107-D109 PolarHBondContact O-N 2.98Å; V107-I111 HydrophobicContact CG1-CB 4.12Å; V107-I111 HydrophobicContact CG1-CG2 4.18Å; V107-F112 HydrophobicContact CB-CB 4.49Å; V107-F112 HydrophobicContact CG1-CB 4.1Å |
| 108 | P | 88.6 | Confident | 88 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | trans | -54.3 | 130.9 | 172.2 | -25.6 | 31.7 | 0 | 0 | 0 | 112.2 | D110 I111 F112 | P108-D110 VanDerWaalsContact C-N 3.32Å; P108-D110 PolarHBondContact O-N 3.42Å; P108-I111 HydrophobicContact CB-CD1 3.63Å; P108-I111 HydrophobicContact CB-CG1 4.18Å; P108-I111 HydrophobicContact CG-CD1 3.54Å; P108-I111 WeakPolarHBondContact O-CB 3.24Å; P108-I111 PolarHBondContact O-N 3.06Å; P108-F112 PolarHBondContact O-N 3.38Å; P108-F112 VanDerWaalsContact O-N 3.07Å | ||
| 109 | D | 88.5 | Confident | 88.2 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -48.8 | -49.5 | -174 | -64.9 | -15.1 | 0 | 0 | 0 | 112.5 | V107 I111 F112 D113 | V107-D109 PolarHBondContact O-N 2.98Å; D109-I111 PolarHBondContact O-N 3.44Å; D109-I111 VanDerWaalsContact O-N 3.13Å; D109-F112 PolarHBondContact O-N 2.86Å; D109-D113 WeakPolarHBondContact O-CB 3.49Å; D109-D113 PolarHBondContact O-N 2.83Å |
| 110 | D | 86.9 | Confident | 88.6 | Confident | 142 Ų | 142 | 66.1 Ų | 66.1 | 76% | 0.759 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.8 | -34.3 | -179.7 | -61.7 | -21.6 | 0 | 0 | 0 | 113.5 | P108 M114 | P108-D110 VanDerWaalsContact C-N 3.32Å; P108-D110 PolarHBondContact O-N 3.42Å; D110-M114 VanDerWaalsContact O-CB 3.28Å; D110-M114 WeakPolarHBondContact O-CB 3.43Å; D110-M114 PolarHBondContact O-N 2.88Å |
| 111 | I | 89.1 | Confident | 88.9 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -77.7 | -43.5 | 178.7 | -57.5 | 162.2 | 0 | 0 | 0 | 109.6 | I31 L32 I35 V107 P108 D109 M114 L115 | I31-I111 HydrophobicContact CG2-CG2 4.1Å; L32-I111 HydrophobicContact CD1-CD1 4.06Å; L32-I111 HydrophobicContact CD2-CD1 3.15Å; L32-I111 HydrophobicContact CD2-CG1 3.93Å; L32-I111 HydrophobicContact CG-CD1 3.56Å; I35-I111 HydrophobicContact CD1-CG2 4.15Å; V107-I111 HydrophobicContact CG1-CB 4.12Å; V107-I111 HydrophobicContact CG1-CG2 4.18Å; P108-I111 HydrophobicContact CB-CD1 3.63Å; P108-I111 HydrophobicContact CB-CG1 4.18Å; P108-I111 HydrophobicContact CG-CD1 3.54Å; P108-I111 WeakPolarHBondContact O-CB 3.24Å; P108-I111 PolarHBondContact O-N 3.06Å; D109-I111 PolarHBondContact O-N 3.44Å; D109-I111 VanDerWaalsContact O-N 3.13Å; I111-M114 PolarHBondContact O-N 3.44Å; I111-L115 HydrophobicContact CG2-CD1 3.89Å; I111-L115 HydrophobicContact CG2-CG 4.28Å; I111-L115 WeakPolarHBondContact O-CB 3.44Å; I111-L115 VanDerWaalsContact O-CG 3.24Å; I111-L115 WeakPolarHBondContact O-CG 3.49Å; I111-L115 PolarHBondContact O-N 2.91Å |
| 112 | F | 90.4 | Very high | 89.3 | Confident | 31 Ų | 31 | 69.1 Ų | 69.1 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 179 | -177.8 | -89.2 | 0 | 0 | 0 | 110.7 | L100 M101 K104 V107 P108 D109 M114 L115 L116 | L100-F112 HydrophobicContact CD1-CD2 4.15Å; L100-F112 HydrophobicContact CD2-CD2 4.5Å; L100-F112 HydrophobicContact CD2-CE2 4.49Å; L100-F112 HydrophobicContact CG-CD2 4.08Å; L100-F112 HydrophobicContact CG-CE2 4.02Å; M101-F112 HydrophobicContact CE-CE2 3.41Å; M101-F112 VanDerWaalsContact CE-CE2 3.41Å; M101-F112 HydrophobicContact CE-CZ 3.37Å; M101-F112 HydrophobicContact SD-CE2 4.44Å; M101-F112 HydrophobicContact SD-CZ 4.07Å; K104-F112 HydrophobicContact CB-CD2 4.16Å; K104-F112 HydrophobicContact CB-CE2 3.61Å; K104-F112 HydrophobicContact CB-CZ 4.07Å; V107-F112 HydrophobicContact CB-CB 4.49Å; V107-F112 HydrophobicContact CG1-CB 4.1Å; P108-F112 PolarHBondContact O-N 3.38Å; P108-F112 VanDerWaalsContact O-N 3.07Å; D109-F112 PolarHBondContact O-N 2.86Å; F112-M114 VanDerWaalsContact C-N 3.31Å; F112-M114 PolarHBondContact O-N 2.75Å; F112-L115 PolarHBondContact O-N 3.05Å; F112-L116 HydrophobicContact CE1-CD2 4.34Å; F112-L116 WeakPolarHBondContact O-CB 3.36Å; F112-L116 PolarHBondContact O-N 3.34Å |
| 113 | D | 90.6 | Very high | 89.7 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 178.1 | -70.9 | -18.5 | 0 | 0 | 0 | 110.8 | D109 L116 T117 | D109-D113 WeakPolarHBondContact O-CB 3.49Å; D109-D113 PolarHBondContact O-N 2.83Å; D113-L116 WeakPolarHBondContact O-CB 3.28Å; D113-L116 PolarHBondContact O-N 3.36Å; D113-T117 VanDerWaalsContact O-CG2 3.28Å; D113-T117 WeakPolarHBondContact O-CG2 3.29Å; D113-T117 PolarHBondContact O-N 3.19Å; D113-T117 VanDerWaalsContact O-N 3.15Å |
| 114 | M | 90.4 | Very high | 90.2 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 175.4 | -175.2 | -177.8 | 143.8 | 0 | 0 | 112.3 | I35 F40 D110 I111 F112 L116 T117 F118 | I35-M114 HydrophobicContact CD1-CE 3.65Å; I35-M114 HydrophobicContact CD1-SD 3.78Å; I35-M114 HydrophobicContact CG1-CE 3.7Å; I35-M114 HydrophobicContact CG1-SD 4.18Å; I35-M114 HydrophobicContact CG2-CE 4.11Å; I35-M114 HydrophobicContact CG2-SD 3.68Å; F40-M114 HydrophobicContact CD1-CE 4.34Å; F40-M114 HydrophobicContact CE1-CE 3.14Å; F40-M114 HydrophobicContact CE1-SD 4.28Å; F40-M114 HydrophobicContact CE2-CE 4.39Å; F40-M114 HydrophobicContact CZ-CE 3.17Å; D110-M114 VanDerWaalsContact O-CB 3.28Å; D110-M114 WeakPolarHBondContact O-CB 3.43Å; D110-M114 PolarHBondContact O-N 2.88Å; I111-M114 PolarHBondContact O-N 3.44Å; F112-M114 VanDerWaalsContact C-N 3.31Å; F112-M114 PolarHBondContact O-N 2.75Å; M114-L116 VanDerWaalsContact C-N 3.28Å; M114-L116 PolarHBondContact O-N 3.41Å; M114-T117 WeakPolarHBondContact O-CB 3.35Å; M114-T117 PolarHBondContact O-N 3.07Å; M114-T117 PolarHBondContact O-OG1 3.11Å; M114-F118 HydrophobicContact CE-CE2 4.41Å; M114-F118 HydrophobicContact CE-CZ 3.99Å |
| 115 | L | 91.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -36 | 177.2 | -71.3 | 170.8 | 0 | 0 | 0 | 111.6 | I31 L80 F96 L100 I111 F112 T117 F118 | I31-L115 HydrophobicContact CD1-CD1 4.12Å; I31-L115 HydrophobicContact CD1-CD2 4.26Å; I31-L115 HydrophobicContact CG2-CD1 4.38Å; I31-L115 HydrophobicContact CG2-CD2 4.14Å; L80-L115 HydrophobicContact CD2-CD2 3.85Å; F96-L115 HydrophobicContact CZ-CD1 4.09Å; L100-L115 HydrophobicContact CD1-CD1 4Å; L100-L115 HydrophobicContact CD2-CB 4.08Å; L100-L115 HydrophobicContact CD2-CD1 3.93Å; I111-L115 HydrophobicContact CG2-CD1 3.89Å; I111-L115 HydrophobicContact CG2-CG 4.28Å; I111-L115 WeakPolarHBondContact O-CB 3.44Å; I111-L115 VanDerWaalsContact O-CG 3.24Å; I111-L115 WeakPolarHBondContact O-CG 3.49Å; I111-L115 PolarHBondContact O-N 2.91Å; F112-L115 PolarHBondContact O-N 3.05Å; L115-T117 PolarHBondContact O-N 2.83Å; L115-F118 HydrophobicContact CD2-CD2 4.18Å; L115-F118 HydrophobicContact CD2-CE2 4.04Å; L115-F118 WeakPolarHBondContact O-CB 3.28Å; L115-F118 PolarHBondContact O-N 2.84Å; L115-F118 VanDerWaalsContact O-N 3.12Å |
| 116 | L | 91.3 | Very high | 91.1 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 177.2 | -171.9 | 61.5 | 0 | 0 | 0 | 110.9 | F112 D113 M114 F118 T119 D120 A123 | F112-L116 HydrophobicContact CE1-CD2 4.34Å; F112-L116 WeakPolarHBondContact O-CB 3.36Å; F112-L116 PolarHBondContact O-N 3.34Å; D113-L116 WeakPolarHBondContact O-CB 3.28Å; D113-L116 PolarHBondContact O-N 3.36Å; M114-L116 VanDerWaalsContact C-N 3.28Å; M114-L116 PolarHBondContact O-N 3.41Å; L116-F118 PolarHBondContact O-N 3.02Å; L116-T119 PolarHBondContact O-N 3.42Å; L116-T119 PolarHBondContact O-OG1 2.79Å; L116-D120 HydrophobicContact CD1-CB 3.83Å; L116-D120 HydrophobicContact CG-CB 3.89Å; L116-D120 WeakPolarHBondContact O-CB 3.43Å; L116-D120 PolarHBondContact O-N 3.42Å; L116-A123 HydrophobicContact CB-CB 4.37Å; L116-A123 HydrophobicContact CD2-CB 3.98Å; L116-A123 HydrophobicContact CG-CB 3.84Å |
| 117 | T | 93.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -18.2 | 176.2 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | F69 Y72 D113 M114 L115 A123 M127 | F69-T117 WeakPolarHBondContact CE2-O 3.03Å; Y72-T117 WeakPolarHBondContact CE1-OG1 3.25Å; Y72-T117 PolarHBondContact OH-OG1 3.46Å; D113-T117 VanDerWaalsContact O-CG2 3.28Å; D113-T117 WeakPolarHBondContact O-CG2 3.29Å; D113-T117 PolarHBondContact O-N 3.19Å; D113-T117 VanDerWaalsContact O-N 3.15Å; M114-T117 WeakPolarHBondContact O-CB 3.35Å; M114-T117 PolarHBondContact O-N 3.07Å; M114-T117 PolarHBondContact O-OG1 3.11Å; L115-T117 PolarHBondContact O-N 2.83Å; T117-A123 HydrophobicContact CG2-CB 4.44Å; T117-M127 HydrophobicContact CG2-CB 4.2Å; T117-M127 HydrophobicContact CG2-SD 4.06Å |
| 118 | F | 91.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.5 | -28 | 175.1 | -62.1 | -45.9 | 0 | 0 | 0 | 112.7 | F40 F69 Y72 L76 E77 L80 M114 L115 L116 | F40-F118 HydrophobicContact CZ-CZ 4.45Å; F69-F118 WeakPolarHBondContact CZ-O 3.47Å; Y72-F118 HydrophobicContact CD1-CD1 4.02Å; Y72-F118 HydrophobicContact CD1-CE1 4.29Å; Y72-F118 AromaticContact CE1-CD1 3.35Å; Y72-F118 HydrophobicContact CE1-CD1 3.35Å; Y72-F118 AromaticContact CE1-CE1 3.48Å; Y72-F118 HydrophobicContact CE1-CE1 3.48Å; Y72-F118 VanDerWaalsContact CE1-CE1 3.48Å; Y72-F118 HydrophobicContact CE1-CG 4.48Å; Y72-F118 AromaticContact CZ-CE1 3.69Å; L76-F118 HydrophobicContact CB-CE1 3.65Å; L76-F118 HydrophobicContact CB-CZ 4.11Å; E77-F118 HydrophobicContact CB-CB 4.13Å; E77-F118 HydrophobicContact CB-CD1 3.68Å; E77-F118 HydrophobicContact CB-CD2 4.43Å; E77-F118 HydrophobicContact CB-CE1 4.21Å; E77-F118 HydrophobicContact CB-CG 3.83Å; E77-F118 HydrophobicContact CG-CB 3.86Å; E77-F118 HydrophobicContact CG-CD1 4.29Å; E77-F118 HydrophobicContact CG-CD2 4.29Å; E77-F118 HydrophobicContact CG-CG 3.91Å; L80-F118 HydrophobicContact CD2-CD2 4.35Å; L80-F118 HydrophobicContact CD2-CE2 3.62Å; L80-F118 HydrophobicContact CD2-CZ 4.34Å; M114-F118 HydrophobicContact CE-CE2 4.41Å; M114-F118 HydrophobicContact CE-CZ 3.99Å; L115-F118 HydrophobicContact CD2-CD2 4.18Å; L115-F118 HydrophobicContact CD2-CE2 4.04Å; L115-F118 WeakPolarHBondContact O-CB 3.28Å; L115-F118 PolarHBondContact O-N 2.84Å; L115-F118 VanDerWaalsContact O-N 3.12Å; L116-F118 PolarHBondContact O-N 3.02Å |
| 119 | T | 88.9 | Confident | 92.2 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 53% | 0.528 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -114.7 | -26.4 | -172.1 | 63 | 0 | 0 | 0 | 0 | 113.5 | L116 | L116-T119 PolarHBondContact O-N 3.42Å; L116-T119 PolarHBondContact O-OG1 2.79Å |
| 120 | D | 91.9 | Very high | 92.4 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | trans | -108.8 | 115.2 | -177.9 | -169.4 | -67.1 | 0 | 0 | 0 | 110.4 | L116 M122 A123 F124 | L116-D120 HydrophobicContact CD1-CB 3.83Å; L116-D120 HydrophobicContact CG-CB 3.89Å; L116-D120 WeakPolarHBondContact O-CB 3.43Å; L116-D120 PolarHBondContact O-N 3.42Å; D120-M122 VanDerWaalsContact C-N 3.29Å; D120-M122 PolarHBondContact O-N 3.03Å; D120-M122 VanDerWaalsContact OD1-CA 3.29Å; D120-M122 WeakPolarHBondContact OD1-CA 3.48Å; D120-M122 VanDerWaalsContact OD1-CB 3.28Å; D120-M122 WeakPolarHBondContact OD1-CB 3.46Å; D120-M122 PolarHBondContact OD1-N 3.01Å; D120-A123 HydrophobicContact CB-CB 3.99Å; D120-A123 PolarHBondContact O-N 3.46Å; D120-A123 PolarHBondContact OD1-N 3.1Å; D120-F124 WeakPolarHBondContact O-CB 3.37Å; D120-F124 PolarHBondContact O-N 2.88Å | ||
| 121 | F | 93.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 43 Ų | 43 | 21% | 0.211 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -31.5 | -179.9 | 176.4 | -96 | 0 | 0 | 0 | 112.9 | Y65 F69 F124 K125 | Y65-F121 AromaticContact CD2-CZ 3.97Å; Y65-F121 HydrophobicContact CD2-CZ 3.97Å; Y65-F121 HydrophobicContact CG-CZ 4.27Å; F69-F121 HydrophobicContact CB-CD2 4.22Å; F69-F121 HydrophobicContact CB-CE2 4.36Å; F69-F121 HydrophobicContact CD2-CD2 4.27Å; F69-F121 HydrophobicContact CG-CD2 4.09Å; F121-F124 HydrophobicContact CD2-CD1 4.14Å; F121-F124 HydrophobicContact CE2-CD1 4.18Å; F121-F124 HydrophobicContact CE2-CE1 4.38Å; F121-K125 HydrophobicContact CE1-CD 4.5Å; F121-K125 WeakPolarHBondContact O-CB 3.47Å; F121-K125 PolarHBondContact O-N 3.39Å |
| 122 | M | 92.9 | Very high | 92.9 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.8 | -44.3 | 178.6 | -64.5 | -60 | 175.2 | 0 | 0 | 110.6 | D120 F124 K125 E126 | D120-M122 VanDerWaalsContact C-N 3.29Å; D120-M122 PolarHBondContact O-N 3.03Å; D120-M122 VanDerWaalsContact OD1-CA 3.29Å; D120-M122 WeakPolarHBondContact OD1-CA 3.48Å; D120-M122 VanDerWaalsContact OD1-CB 3.28Å; D120-M122 WeakPolarHBondContact OD1-CB 3.46Å; D120-M122 PolarHBondContact OD1-N 3.01Å; M122-F124 VanDerWaalsContact C-N 3.3Å; M122-F124 PolarHBondContact O-N 3.45Å; M122-K125 PolarHBondContact O-N 3.3Å; M122-K125 VanDerWaalsContact O-N 3.16Å; M122-E126 WeakPolarHBondContact O-CB 3.35Å; M122-E126 PolarHBondContact O-N 3.48Å |
| 123 | A | 94.7 | Very high | 93 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L116 T117 D120 K125 E126 M127 | L116-A123 HydrophobicContact CB-CB 4.37Å; L116-A123 HydrophobicContact CD2-CB 3.98Å; L116-A123 HydrophobicContact CG-CB 3.84Å; T117-A123 HydrophobicContact CG2-CB 4.44Å; D120-A123 HydrophobicContact CB-CB 3.99Å; D120-A123 PolarHBondContact O-N 3.46Å; D120-A123 PolarHBondContact OD1-N 3.1Å; A123-K125 PolarHBondContact O-N 3.3Å; A123-E126 PolarHBondContact O-N 3.46Å; A123-M127 PolarHBondContact O-N 2.95Å |
| 124 | F | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 173.9 | 166.8 | -99.5 | 0 | 0 | 0 | 113.4 | F47 F55 I68 F69 Y72 D120 F121 M122 M127 F128 | F47-F124 HydrophobicContact CE1-CE2 4.47Å; F55-F124 HydrophobicContact CE1-CD1 4.35Å; F55-F124 AromaticContact CE1-CE1 3.8Å; F55-F124 HydrophobicContact CE1-CE1 3.8Å; F55-F124 HydrophobicContact CZ-CD1 4.42Å; F55-F124 AromaticContact CZ-CE1 3.49Å; F55-F124 HydrophobicContact CZ-CE1 3.49Å; F55-F124 VanDerWaalsContact CZ-CE1 3.49Å; F55-F124 AromaticContact CZ-CZ 3.88Å; F55-F124 HydrophobicContact CZ-CZ 3.88Å; I68-F124 HydrophobicContact CG2-CZ 4.11Å; F69-F124 HydrophobicContact CB-CD1 4.19Å; F69-F124 HydrophobicContact CB-CE1 3.74Å; F69-F124 HydrophobicContact CB-CZ 4.02Å; F69-F124 HydrophobicContact CD2-CB 3.88Å; F69-F124 AromaticContact CD2-CD1 3.5Å; F69-F124 HydrophobicContact CD2-CD1 3.5Å; F69-F124 AromaticContact CD2-CD2 3.72Å; F69-F124 HydrophobicContact CD2-CD2 3.72Å; F69-F124 AromaticContact CD2-CE1 3.83Å; F69-F124 HydrophobicContact CD2-CE1 3.83Å; F69-F124 HydrophobicContact CD2-CE2 4.04Å; F69-F124 AromaticContact CD2-CG 3.42Å; F69-F124 HydrophobicContact CD2-CG 3.42Å; F69-F124 VanDerWaalsContact CD2-CG 3.42Å; F69-F124 HydrophobicContact CD2-CZ 4.09Å; F69-F124 HydrophobicContact CE2-CB 3.83Å; F69-F124 HydrophobicContact CE2-CD1 4.32Å; F69-F124 HydrophobicContact CE2-CD2 4.22Å; F69-F124 AromaticContact CE2-CG 3.89Å; F69-F124 HydrophobicContact CE2-CG 3.89Å; F69-F124 HydrophobicContact CG-CD1 4.27Å; F69-F124 HydrophobicContact CG-CE1 4.28Å; Y72-F124 AromaticContact CD1-CD2 3.73Å; Y72-F124 HydrophobicContact CD1-CD2 3.73Å; Y72-F124 AromaticContact CD1-CE2 3.79Å; Y72-F124 HydrophobicContact CD1-CE2 3.79Å; Y72-F124 HydrophobicContact CD2-CD2 4.43Å; Y72-F124 AromaticContact CD2-CE2 3.96Å; Y72-F124 HydrophobicContact CD2-CE2 3.96Å; Y72-F124 HydrophobicContact CE1-CD2 4.05Å; Y72-F124 HydrophobicContact CE1-CE2 4.44Å; Y72-F124 AromaticContact CG-CD2 3.95Å; Y72-F124 HydrophobicContact CG-CD2 3.95Å; Y72-F124 AromaticContact CG-CE2 3.51Å; Y72-F124 HydrophobicContact CG-CE2 3.51Å; D120-F124 WeakPolarHBondContact O-CB 3.37Å; D120-F124 PolarHBondContact O-N 2.88Å; F121-F124 HydrophobicContact CD2-CD1 4.14Å; F121-F124 HydrophobicContact CE2-CD1 4.18Å; F121-F124 HydrophobicContact CE2-CE1 4.38Å; M122-F124 VanDerWaalsContact C-N 3.3Å; M122-F124 PolarHBondContact O-N 3.45Å; F124-M127 HydrophobicContact CD2-CE 3.87Å; F124-M127 HydrophobicContact CE2-CE 4.25Å; F124-F128 HydrophobicContact CD2-CD2 4.41Å; F124-F128 HydrophobicContact CD2-CE2 4.29Å; F124-F128 HydrophobicContact CE1-CD2 4.19Å; F124-F128 HydrophobicContact CE1-CE2 4.21Å; F124-F128 AromaticContact CE2-CD2 3.95Å; F124-F128 HydrophobicContact CE2-CD2 3.95Å; F124-F128 AromaticContact CE2-CE2 3.46Å; F124-F128 HydrophobicContact CE2-CE2 3.46Å; F124-F128 VanDerWaalsContact CE2-CE2 3.46Å; F124-F128 AromaticContact CZ-CD2 3.83Å; F124-F128 HydrophobicContact CZ-CD2 3.83Å; F124-F128 AromaticContact CZ-CE2 3.41Å; F124-F128 HydrophobicContact CZ-CE2 3.41Å; F124-F128 VanDerWaalsContact CZ-CE2 3.41Å; F124-F128 PolarHBondContact O-N 2.95Å |
| 125 | K | 95.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.4 | 175.5 | -177.5 | 175.5 | -177 | 0 | 111 | F55 S58 N61 F121 M122 A123 F128 V129 | F55-K125 HydrophobicContact CD1-CG 4.12Å; S58-K125 WeakPolarHBondContact O-CE 3.49Å; S58-K125 PolarHBondContact O-NZ 3.03Å; N61-K125 PolarHBondContact OD1-NZ 3.27Å; F121-K125 HydrophobicContact CE1-CD 4.5Å; F121-K125 WeakPolarHBondContact O-CB 3.47Å; F121-K125 PolarHBondContact O-N 3.39Å; M122-K125 PolarHBondContact O-N 3.3Å; M122-K125 VanDerWaalsContact O-N 3.16Å; A123-K125 PolarHBondContact O-N 3.3Å; K125-F128 WeakPolarHBondContact O-CB 3.41Å; K125-F128 PolarHBondContact O-N 2.99Å; K125-F128 VanDerWaalsContact O-N 3.14Å; K125-V129 WeakPolarHBondContact O-CG2 3.45Å; K125-V129 PolarHBondContact O-N 3.5Å |
| 126 | E | 94.6 | Very high | 92.8 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 179.1 | -173.7 | 161.7 | -144.8 | 0 | 0 | 110.9 | M122 A123 F128 V129 E130 | M122-E126 WeakPolarHBondContact O-CB 3.35Å; M122-E126 PolarHBondContact O-N 3.48Å; A123-E126 PolarHBondContact O-N 3.46Å; E126-F128 PolarHBondContact O-N 3.39Å; E126-F128 VanDerWaalsContact O-N 3.17Å; E126-V129 PolarHBondContact O-N 2.81Å; E126-E130 HydrophobicContact CG-CG 4.37Å; E126-E130 WeakPolarHBondContact O-CG 3.44Å; E126-E130 PolarHBondContact O-N 3.14Å |
| 127 | M | 95.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 14% | 0.143 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -50.5 | -43.5 | 172.5 | 177 | -169.1 | 59.2 | 0 | 0 | 112.2 | L48 Y72 T117 A123 F124 Y131 | L48-M127 HydrophobicContact CD2-CE 3.72Å; L48-M127 HydrophobicContact CD2-CG 4.46Å; L48-M127 HydrophobicContact CD2-SD 4.13Å; Y72-M127 HydrophobicContact CE2-CE 3.88Å; T117-M127 HydrophobicContact CG2-CB 4.2Å; T117-M127 HydrophobicContact CG2-SD 4.06Å; A123-M127 PolarHBondContact O-N 2.95Å; F124-M127 HydrophobicContact CD2-CE 3.87Å; F124-M127 HydrophobicContact CE2-CE 4.25Å; M127-Y131 WeakPolarHBondContact O-CB 3.37Å; M127-Y131 PolarHBondContact O-N 3.39Å |
| 128 | F | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 177.7 | -93.6 | -70.2 | 0 | 0 | 0 | 113.6 | F47 L48 H51 F55 I68 F124 K125 E126 R132 | F47-F128 AromaticContact CD1-CZ 3.93Å; F47-F128 HydrophobicContact CD1-CZ 3.93Å; F47-F128 AromaticContact CE1-CE2 3.97Å; F47-F128 HydrophobicContact CE1-CE2 3.97Å; F47-F128 AromaticContact CE1-CZ 3.63Å; F47-F128 HydrophobicContact CE1-CZ 3.63Å; L48-F128 HydrophobicContact CB-CE1 4.43Å; L48-F128 HydrophobicContact CD2-CD1 3.91Å; L48-F128 HydrophobicContact CD2-CD2 4.36Å; L48-F128 HydrophobicContact CD2-CE1 3.59Å; L48-F128 HydrophobicContact CD2-CE2 4.01Å; L48-F128 HydrophobicContact CD2-CG 4.32Å; L48-F128 HydrophobicContact CD2-CZ 3.64Å; H51-F128 HydrophobicContact CB-CE1 3.59Å; H51-F128 HydrophobicContact CB-CZ 3.67Å; F55-F128 HydrophobicContact CB-CB 3.71Å; F55-F128 HydrophobicContact CB-CG 4.41Å; F55-F128 HydrophobicContact CD1-CB 3.81Å; F55-F128 HydrophobicContact CD1-CD2 4.35Å; F55-F128 HydrophobicContact CD1-CG 4.22Å; F55-F128 HydrophobicContact CD2-CB 3.65Å; F55-F128 AromaticContact CD2-CD1 3.62Å; F55-F128 HydrophobicContact CD2-CD1 3.62Å; F55-F128 AromaticContact CD2-CD2 3.81Å; F55-F128 HydrophobicContact CD2-CD2 3.81Å; F55-F128 HydrophobicContact CD2-CE1 4.12Å; F55-F128 HydrophobicContact CD2-CE2 4.32Å; F55-F128 AromaticContact CD2-CG 3.41Å; F55-F128 HydrophobicContact CD2-CG 3.41Å; F55-F128 VanDerWaalsContact CD2-CG 3.41Å; F55-F128 HydrophobicContact CD2-CZ 4.44Å; F55-F128 HydrophobicContact CE1-CB 4.34Å; F55-F128 HydrophobicContact CE1-CD2 4.05Å; F55-F128 HydrophobicContact CE1-CG 4.37Å; F55-F128 HydrophobicContact CE2-CB 4.21Å; F55-F128 AromaticContact CE2-CD1 3.93Å; F55-F128 HydrophobicContact CE2-CD1 3.93Å; F55-F128 AromaticContact CE2-CD2 3.47Å; F55-F128 HydrophobicContact CE2-CD2 3.47Å; F55-F128 VanDerWaalsContact CE2-CD2 3.47Å; F55-F128 HydrophobicContact CE2-CE1 4.06Å; F55-F128 AromaticContact CE2-CE2 3.66Å; F55-F128 HydrophobicContact CE2-CE2 3.66Å; F55-F128 AromaticContact CE2-CG 3.6Å; F55-F128 HydrophobicContact CE2-CG 3.6Å; F55-F128 AromaticContact CE2-CZ 3.93Å; F55-F128 HydrophobicContact CE2-CZ 3.93Å; F55-F128 HydrophobicContact CG-CB 3.43Å; F55-F128 VanDerWaalsContact CG-CB 3.43Å; F55-F128 HydrophobicContact CG-CD1 4.29Å; F55-F128 HydrophobicContact CG-CD2 4.24Å; F55-F128 AromaticContact CG-CG 3.75Å; F55-F128 HydrophobicContact CG-CG 3.75Å; F55-F128 AromaticContact CZ-CD2 3.61Å; F55-F128 HydrophobicContact CZ-CD2 3.61Å; F55-F128 AromaticContact CZ-CE2 3.93Å; F55-F128 HydrophobicContact CZ-CE2 3.93Å; F55-F128 HydrophobicContact CZ-CG 4.09Å; I68-F128 HydrophobicContact CG2-CE2 4.43Å; I68-F128 HydrophobicContact CG2-CZ 4.37Å; F124-F128 HydrophobicContact CD2-CD2 4.41Å; F124-F128 HydrophobicContact CD2-CE2 4.29Å; F124-F128 HydrophobicContact CE1-CD2 4.19Å; F124-F128 HydrophobicContact CE1-CE2 4.21Å; F124-F128 AromaticContact CE2-CD2 3.95Å; F124-F128 HydrophobicContact CE2-CD2 3.95Å; F124-F128 AromaticContact CE2-CE2 3.46Å; F124-F128 HydrophobicContact CE2-CE2 3.46Å; F124-F128 VanDerWaalsContact CE2-CE2 3.46Å; F124-F128 AromaticContact CZ-CD2 3.83Å; F124-F128 HydrophobicContact CZ-CD2 3.83Å; F124-F128 AromaticContact CZ-CE2 3.41Å; F124-F128 HydrophobicContact CZ-CE2 3.41Å; F124-F128 VanDerWaalsContact CZ-CE2 3.41Å; F124-F128 PolarHBondContact O-N 2.95Å; K125-F128 WeakPolarHBondContact O-CB 3.41Å; K125-F128 PolarHBondContact O-N 2.99Å; K125-F128 VanDerWaalsContact O-N 3.14Å; E126-F128 PolarHBondContact O-N 3.39Å; E126-F128 VanDerWaalsContact O-N 3.17Å; F128-R132 VanDerWaalsContact O-CB 3.27Å; F128-R132 WeakPolarHBondContact O-CB 3.32Å; F128-R132 PolarHBondContact O-N 2.9Å |
| 129 | V | 93.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | E57 K125 E126 R132 A133 | E57-V129 HydrophobicContact CB-CG1 4.03Å; E57-V129 HydrophobicContact CG-CG1 4.09Å; K125-V129 WeakPolarHBondContact O-CG2 3.45Å; K125-V129 PolarHBondContact O-N 3.5Å; E126-V129 PolarHBondContact O-N 2.81Å; V129-R132 PolarHBondContact O-N 2.97Å; V129-A133 WeakPolarHBondContact O-CB 3.43Å; V129-A133 PolarHBondContact O-N 3.07Å |
| 130 | E | 92.7 | Very high | 88.8 | Confident | 120 Ų | 120 | 64 Ų | 64 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 175.2 | -69.9 | -177.7 | 162.2 | 0 | 0 | 111.8 | E126 R132 A133 A134 | E126-E130 HydrophobicContact CG-CG 4.37Å; E126-E130 WeakPolarHBondContact O-CG 3.44Å; E126-E130 PolarHBondContact O-N 3.14Å; E130-R132 VanDerWaalsContact C-N 3.3Å; E130-R132 PolarHBondContact O-N 3.29Å; E130-A133 WeakPolarHBondContact O-CB 3.42Å; E130-A133 PolarHBondContact O-N 3.22Å; E130-A133 VanDerWaalsContact O-N 3.14Å; E130-A134 WeakPolarHBondContact O-CB 3.32Å; E130-A134 PolarHBondContact O-N 3.1Å |
| 131 | Y | 94 | Very high | 86.8 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 177.5 | -172.2 | -93.2 | 0 | 0 | 0 | 111.8 | L48 D49 Y52 M127 A134 K135 | L48-Y131 HydrophobicContact CB-CD1 3.95Å; L48-Y131 HydrophobicContact CB-CD2 4.15Å; L48-Y131 HydrophobicContact CB-CE1 3.74Å; L48-Y131 HydrophobicContact CB-CE2 3.93Å; L48-Y131 HydrophobicContact CB-CG 4.13Å; L48-Y131 HydrophobicContact CD1-CD2 3.6Å; L48-Y131 HydrophobicContact CD1-CE2 3.74Å; L48-Y131 HydrophobicContact CD1-CG 4.13Å; L48-Y131 HydrophobicContact CG-CD2 4.44Å; L48-Y131 HydrophobicContact CG-CE2 4.5Å; D49-Y131 VanDerWaalsContact CG-OH 3.28Å; D49-Y131 PolarHBondContact OD1-OH 3.01Å; Y52-Y131 HydrophobicContact CD1-CE1 4.46Å; Y52-Y131 HydrophobicContact CG-CD1 4.21Å; Y52-Y131 HydrophobicContact CG-CE1 4.39Å; M127-Y131 WeakPolarHBondContact O-CB 3.37Å; M127-Y131 PolarHBondContact O-N 3.39Å; Y131-A134 PolarHBondContact O-N 3.48Å; Y131-K135 HydrophobicContact CD1-CG 4.05Å; Y131-K135 HydrophobicContact CE1-CD 4.32Å; Y131-K135 HydrophobicContact CE1-CG 3.74Å; Y131-K135 WeakPolarHBondContact O-CB 3.49Å; Y131-K135 WeakPolarHBondContact O-CG 3.47Å; Y131-K135 PolarHBondContact O-N 3.38Å; Y131-K135 WeakPolarHBondContact OH-CE 3.36Å; Y131-K135 PolarHBondContact OH-NZ 3.07Å |
| 132 | R | 93.1 | Very high | 84.8 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 22% | 0.219 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.4 | 177.1 | 174.2 | -176.4 | -174.7 | -0.2 | 111.5 | Y52 F55 F128 V129 E130 A134 K135 E136 | Y52-R132 HydrophobicContact CD2-CB 3.89Å; Y52-R132 HydrophobicContact CD2-CG 3.88Å; Y52-R132 HydrophobicContact CE2-CG 4.43Å; F55-R132 WeakPolarHBondContact O-CD 3.42Å; F55-R132 PolarHBondContact O-NH1 3.18Å; F128-R132 VanDerWaalsContact O-CB 3.27Å; F128-R132 WeakPolarHBondContact O-CB 3.32Å; F128-R132 PolarHBondContact O-N 2.9Å; V129-R132 PolarHBondContact O-N 2.97Å; E130-R132 VanDerWaalsContact C-N 3.3Å; E130-R132 PolarHBondContact O-N 3.29Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3.24Å; R132-K135 PolarHBondContact O-N 2.97Å; R132-E136 HydrophobicContact CG-CG 4.45Å; R132-E136 WeakPolarHBondContact CG-OE1 3.34Å; R132-E136 IonicContact CZ-OE1 2.64Å; R132-E136 IonicContact NE-OE1 3.19Å; R132-E136 PolarHBondContact NE-OE1 3.01Å; R132-E136 IonicContact NH2-OE1 3.59Å; R132-E136 PolarHBondContact NH2-OE1 3.11Å; R132-E136 WeakPolarHBondContact O-CB 3.46Å; R132-E136 WeakPolarHBondContact O-CG 3.5Å; R132-E136 PolarHBondContact O-N 3.41Å |
| 133 | A | 91.6 | Very high | 83 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V129 E130 E136 G137 R138 G139 | V129-A133 WeakPolarHBondContact O-CB 3.43Å; V129-A133 PolarHBondContact O-N 3.07Å; E130-A133 WeakPolarHBondContact O-CB 3.42Å; E130-A133 PolarHBondContact O-N 3.22Å; E130-A133 VanDerWaalsContact O-N 3.14Å; A133-E136 PolarHBondContact O-N 3.15Å; A133-G137 PolarHBondContact O-N 3.15Å; A133-R138 HydrophobicContact CB-CB 4.2Å; A133-R138 CarbonylContact O-C 3.53Å; A133-R138 WeakPolarHBondContact O-CA 3.4Å; A133-R138 PolarHBondContact O-N 2.95Å; A133-G139 PolarHBondContact O-N 3.41Å |
| 134 | A | 90.5 | Very high | 81 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E130 Y131 R132 E136 G137 | E130-A134 WeakPolarHBondContact O-CB 3.32Å; E130-A134 PolarHBondContact O-N 3.1Å; Y131-A134 PolarHBondContact O-N 3.48Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3.24Å; A134-E136 VanDerWaalsContact C-N 3.32Å; A134-E136 PolarHBondContact O-N 3.13Å; A134-G137 PolarHBondContact O-N 3.5Å; A134-G137 VanDerWaalsContact O-N 3.16Å |
| 135 | K | 89.6 | Confident | 78.9 | Confident | 106 Ų | 106 | 81 Ų | 81 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 177.7 | -77.2 | -74.2 | -172.7 | 163 | 0 | 113.6 | D49 Y52 Y131 R132 G137 | D49-K135 WeakPolarHBondContact OD1-CE 3.46Å; D49-K135 IonicContact OD1-NZ 3.74Å; D49-K135 PolarHBondContact OD1-NZ 3.26Å; D49-K135 IonicContact OD2-NZ 3.8Å; Y52-K135 HydrophobicContact CE2-CB 4.32Å; Y131-K135 HydrophobicContact CD1-CG 4.05Å; Y131-K135 HydrophobicContact CE1-CD 4.32Å; Y131-K135 HydrophobicContact CE1-CG 3.74Å; Y131-K135 WeakPolarHBondContact O-CB 3.49Å; Y131-K135 WeakPolarHBondContact O-CG 3.47Å; Y131-K135 PolarHBondContact O-N 3.38Å; Y131-K135 WeakPolarHBondContact OH-CE 3.36Å; Y131-K135 PolarHBondContact OH-NZ 3.07Å; R132-K135 PolarHBondContact O-N 2.97Å; K135-G137 VanDerWaalsContact C-N 3.27Å |
| 136 | E | 89.6 | Confident | 76.9 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 6.5 | 179.3 | -65.7 | -173.9 | -153.3 | 0 | 0 | 113 | R132 A133 A134 R138 | R132-E136 HydrophobicContact CG-CG 4.45Å; R132-E136 WeakPolarHBondContact CG-OE1 3.34Å; R132-E136 IonicContact CZ-OE1 2.64Å; R132-E136 IonicContact NE-OE1 3.19Å; R132-E136 PolarHBondContact NE-OE1 3.01Å; R132-E136 IonicContact NH2-OE1 3.59Å; R132-E136 PolarHBondContact NH2-OE1 3.11Å; R132-E136 WeakPolarHBondContact O-CB 3.46Å; R132-E136 WeakPolarHBondContact O-CG 3.5Å; R132-E136 PolarHBondContact O-N 3.41Å; A133-E136 PolarHBondContact O-N 3.15Å; A134-E136 VanDerWaalsContact C-N 3.32Å; A134-E136 PolarHBondContact O-N 3.13Å; E136-R138 PolarHBondContact O-N 3.03Å; E136-R138 IonicContact OE1-NH2 2.64Å; E136-R138 IonicContact OE2-CZ 2.88Å; E136-R138 IonicContact OE2-NH1 2.76Å; E136-R138 PolarHBondContact OE2-NH1 2.83Å; E136-R138 IonicContact OE2-NH2 3.46Å; E136-R138 PolarHBondContact OE2-NH2 3.28Å |
| 137 | G | 82.3 | Confident | 74.9 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 70% | 0.701 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 20.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A133 A134 K135 | A133-G137 PolarHBondContact O-N 3.15Å; A134-G137 PolarHBondContact O-N 3.5Å; A134-G137 VanDerWaalsContact O-N 3.16Å; K135-G137 VanDerWaalsContact C-N 3.27Å |
| 138 | R | 78.1 | Confident | 73.1 | Confident | 156 Ų | 156 | 92.5 Ų | 92.5 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | trans | -96.2 | -7.5 | 172.9 | -63.2 | -159.3 | -74.7 | -92.4 | 2.1 | 113.2 | A133 E136 | A133-R138 HydrophobicContact CB-CB 4.2Å; A133-R138 CarbonylContact O-C 3.53Å; A133-R138 WeakPolarHBondContact O-CA 3.4Å; A133-R138 PolarHBondContact O-N 2.95Å; E136-R138 PolarHBondContact O-N 3.03Å; E136-R138 IonicContact OE1-NH2 2.64Å; E136-R138 IonicContact OE2-CZ 2.88Å; E136-R138 IonicContact OE2-NH1 2.76Å; E136-R138 PolarHBondContact OE2-NH1 2.83Å; E136-R138 IonicContact OE2-NH2 3.46Å; E136-R138 PolarHBondContact OE2-NH2 3.28Å | ||
| 139 | G | 63.5 | Low | 71.8 | Confident | 33 Ų | 33 | 98 Ų | 98 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -69.3 | 160.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A133 D141 | A133-G139 PolarHBondContact O-N 3.41Å; G139-D141 PolarHBondContact O-N 3.4Å; G139-D141 VanDerWaalsContact O-N 3.17Å |
| 140 | L | 56.4 | Low | 70.1 | Confident | 163 Ų | 163 | 101.9 Ų | 101.9 | 85% | 0.853 | 56% | 0.564 | S | S | * | * | trans | -56.6 | 119.1 | 177.8 | -68.2 | 169.6 | 0 | 0 | 0 | 110.3 | L142 | L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.02Å | ||
| 141 | D | 50.4 | Low | 68.5 | Low | 101 Ų | 101 | 104.3 Ų | 104.3 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | trans | -73.6 | 85.9 | 172.1 | 179.1 | 22.7 | 0 | 0 | 0 | 109.5 | G139 S143 Q144 | G139-D141 PolarHBondContact O-N 3.4Å; G139-D141 VanDerWaalsContact O-N 3.17Å; D141-S143 PolarHBondContact O-N 3.16Å; D141-S143 WeakPolarHBondContact OD1-CB 3.38Å; D141-S143 PolarHBondContact OD1-N 3.36Å; D141-S143 PolarHBondContact OD1-OG 2.91Å; D141-S143 PolarHBondContact OD2-OG 3.14Å; D141-S143 VanDerWaalsContact OD2-OG 3.07Å; D141-Q144 PolarHBondContact O-N 2.78Å | ||
| 142 | L | 51.5 | Low | 67.2 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 64% | 0.644 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -64.5 | -4.4 | 177.3 | -65.1 | 172.8 | 0 | 0 | 0 | 113.2 | L140 Q144 D145 | L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.02Å; L142-Q144 PolarHBondContact O-N 3.19Å; L142-D145 PolarHBondContact O-N 2.97Å |
| 143 | S | 55.7 | Low | 65.5 | Low | 85 Ų | 85 | 111.7 Ų | 111.7 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -65.1 | -15.7 | 174.7 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | D141 | D141-S143 PolarHBondContact O-N 3.16Å; D141-S143 WeakPolarHBondContact OD1-CB 3.38Å; D141-S143 PolarHBondContact OD1-N 3.36Å; D141-S143 PolarHBondContact OD1-OG 2.91Å; D141-S143 PolarHBondContact OD2-OG 3.14Å; D141-S143 VanDerWaalsContact OD2-OG 3.07Å |
| 144 | Q | 52.2 | Low | 63.8 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 67% | 0.673 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -89.1 | -19.7 | 176.8 | -58.8 | -153.7 | 20 | 0 | 0 | 114.7 | D141 L142 | D141-Q144 PolarHBondContact O-N 2.78Å; L142-Q144 PolarHBondContact O-N 3.19Å |
| 145 | D | 50.8 | Low | 62 | Low | 143 Ų | 143 | 115.3 Ų | 115.3 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -15.1 | -178.4 | -87 | -19.8 | 0 | 0 | 0 | 113.5 | L142 L147 | L142-D145 PolarHBondContact O-N 2.97Å; D145-L147 PolarHBondContact O-N 3.31Å |
| 146 | L | 53.8 | Low | 60.5 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -96.7 | 53.6 | 175.4 | -152 | 75.4 | 0 | 0 | 0 | 112.2 | V148 | L146-V148 VanDerWaalsContact C-N 3.34Å; L146-V148 PolarHBondContact O-N 2.98Å | ||
| 147 | L | 51.5 | Low | 58.7 | Low | 144 Ų | 144 | 117.5 Ų | 117.5 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -73.7 | 90.1 | 167.7 | -74.2 | 174 | 0 | 0 | 0 | 109.7 | D145 T149 | D145-L147 PolarHBondContact O-N 3.31Å; L147-T149 VanDerWaalsContact C-N 3.32Å; L147-T149 PolarHBondContact O-N 3.13Å | ||
| 148 | V | 59.1 | Low | 57.1 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | -62.9 | 97.2 | 166 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | L146 P150 | L146-V148 VanDerWaalsContact C-N 3.34Å; L146-V148 PolarHBondContact O-N 2.98Å; V148-P150 VanDerWaalsContact O-CD 3.23Å; V148-P150 WeakPolarHBondContact O-CD 3.27Å | ||
| 149 | T | 67.9 | Low | 55.5 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | trans | -77.7 | 115.3 | 172.1 | -48.6 | 0 | 0 | 0 | 0 | 107.4 | L147 L151 | L147-T149 VanDerWaalsContact C-N 3.32Å; L147-T149 PolarHBondContact O-N 3.13Å; T149-L151 PolarHBondContact O-N 3.38Å | ||
| 150 | P | 57.6 | Low | 54.4 | Low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -63.1 | 124.2 | 175.8 | 24 | -31.5 | 0 | 0 | 0 | 109.6 | V148 N152 | V148-P150 VanDerWaalsContact O-CD 3.23Å; V148-P150 WeakPolarHBondContact O-CD 3.27Å; P150-N152 PolarHBondContact O-N 3.45Å | ||
| 151 | L | 58.8 | Low | 54.3 | Low | 171 Ų | 171 | 128.9 Ų | 128.9 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -65.3 | 103.8 | 172.1 | -114.2 | 133.2 | 0 | 0 | 0 | 108.1 | T149 P153 | T149-L151 PolarHBondContact O-N 3.38Å; L151-P153 WeakPolarHBondContact O-CD 3.34Å | ||
| 152 | N | 67.3 | Low | 54.5 | Low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -69.9 | 113.7 | 173.3 | -169.5 | 19.9 | 0 | 0 | 0 | 108.3 | P150 A154 | P150-N152 PolarHBondContact O-N 3.45Å; N152-A154 PolarHBondContact O-N 3.16Å | ||
| 153 | P | 56.8 | Low | 54.7 | Low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 106.6 | 174.4 | 27.3 | -29.7 | 0 | 0 | 0 | 107.7 | L151 G155 | L151-P153 WeakPolarHBondContact O-CD 3.34Å; P153-G155 PolarHBondContact O-N 3Å; P153-G155 VanDerWaalsContact O-N 3.15Å | ||
| 154 | A | 55.6 | Low | 54.6 | Low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -49.7 | 123.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N152 S156 | N152-A154 PolarHBondContact O-N 3.16Å; A154-S156 PolarHBondContact O-N 3.37Å; A154-S156 VanDerWaalsContact O-N 3.16Å | ||
| 155 | G | 53.4 | Low | 54.8 | Low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -51.1 | 119.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P153 A157 | P153-G155 PolarHBondContact O-N 3Å; P153-G155 VanDerWaalsContact O-N 3.15Å; G155-A157 VanDerWaalsContact C-N 3.26Å; G155-A157 PolarHBondContact O-N 3.02Å | ||
| 156 | S | 57.6 | Low | 55 | Low | 127 Ų | 127 | 132.1 Ų | 132.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 86.1 | 163.4 | -26.2 | 0 | 0 | 0 | 0 | 107.8 | A154 | A154-S156 PolarHBondContact O-N 3.37Å; A154-S156 VanDerWaalsContact O-N 3.16Å | ||
| 157 | A | 52.1 | Low | 55.1 | Low | 100 Ų | 100 | 131.4 Ų | 131.4 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -101.4 | 98.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | G155 | G155-A157 VanDerWaalsContact C-N 3.26Å; G155-A157 PolarHBondContact O-N 3.02Å | ||
| 158 | G | 50 | Low | 55.4 | Low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | 102.1 | 98.5 | 58.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | Q160 | G158-Q160 PolarHBondContact O-N 3.2Š| |||
| 159 | H | 43.5 | Very low | 55.1 | Low | 190 Ų | 190 | 131.2 Ų | 131.2 | 88% | 0.88 | 83% | 0.825 | S | S | * | * | trans | -54.9 | 130.7 | 173.7 | -81.4 | 68.7 | 0 | 0 | 0 | 110.7 | ||||
| 160 | Q | 40.7 | Very low | 53.9 | Low | 272 Ų | 272 | 132.5 Ų | 132.5 | 100% | 1.271 | 84% | 0.835 | S | S | * | * | -169.6 | 0 | 126.2 | -103.6 | 168.6 | 90.8 | 0 | 0 | 110.6 | G158 | G158-Q160 PolarHBondContact O-N 3.2Š|
Retrieved 160 of 160 residues in 456.4 ms
(Link to these results)