| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.4 | Low | 53.7 | Low | 242 Ų | 242 | 145 Ų | 145 | 100% | 1.192 | 71% | 0.714 | S | S | * | * | 0 | 85.2 | 0 | -174.3 | 173.2 | -107.4 | 0 | 0 | 103.9 | |||||
| 2 | E | 49.7 | Very low | 53.6 | Low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -73 | 139.5 | -172.8 | -72.8 | 171.2 | 169.6 | 0 | 0 | 109.2 | M4 | E2-M4 VanDerWaalsContact C-N 3.34Å; E2-M4 PolarHBondContact O-N 3.04Å | ||
| 3 | D | 53.8 | Low | 53.7 | Low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | trans | -49.5 | 86.3 | -175.9 | -74.1 | -67.7 | 0 | 0 | 0 | 113.3 | N5 | D3-N5 PolarHBondContact O-N 3.48Š| ||
| 4 | M | 53.4 | Low | 53.8 | Low | 183 Ų | 183 | 135.6 Ų | 135.6 | 90% | 0.901 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 23.2 | 163.7 | -81.6 | 178.3 | 152.5 | 0 | 0 | 112.5 | E2 | E2-M4 VanDerWaalsContact C-N 3.34Å; E2-M4 PolarHBondContact O-N 3.04Å |
| 5 | N | 55.9 | Low | 54 | Low | 114 Ų | 114 | 137.1 Ų | 137.1 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -10.3 | 179.5 | -168.1 | 57.1 | 0 | 0 | 0 | 113.2 | D3 Y7 | D3-N5 PolarHBondContact O-N 3.48Å; N5-Y7 PolarHBondContact O-N 2.66Å |
| 6 | E | 52.4 | Low | 53.9 | Low | 152 Ų | 152 | 132.9 Ų | 132.9 | 71% | 0.71 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -71.2 | -16.1 | 178.8 | -76.8 | -171.5 | 153.6 | 0 | 0 | 113.5 | ||
| 7 | Y | 52.8 | Low | 54.1 | Low | 186 Ų | 186 | 127.5 Ų | 127.5 | 73% | 0.729 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -98.2 | -16.4 | 179.1 | -76.3 | -87.7 | 0 | 0 | 0 | 114.4 | N5 N9 I10 | N5-Y7 PolarHBondContact O-N 2.66Å; Y7-N9 PolarHBondContact O-N 2.88Å; Y7-I10 HydrophobicContact CD1-CD1 3.67Å; Y7-I10 HydrophobicContact CE1-CD1 4.05Å; Y7-I10 HydrophobicContact CG-CD1 4.41Å; Y7-I10 PolarHBondContact O-N 3.4Å |
| 8 | S | 55.4 | Low | 54.3 | Low | 71 Ų | 71 | 129.2 Ų | 129.2 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -67.7 | -21.1 | 177 | -63 | 0 | 0 | 0 | 0 | 113.1 | ||
| 9 | N | 54.1 | Low | 54.7 | Low | 84 Ų | 84 | 129.1 Ų | 129.1 | 45% | 0.449 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -81.7 | -29.2 | -177.4 | -153.1 | -108.1 | 0 | 0 | 0 | 111.8 | Y7 E11 E12 F13 | Y7-N9 PolarHBondContact O-N 2.88Å; N9-E11 PolarHBondContact O-N 3.16Å; N9-E12 PolarHBondContact O-N 3.18Å; N9-F13 WeakPolarHBondContact O-CD2 3.23Å; N9-F13 PolarHBondContact O-N 3.36Å; N9-F13 WeakPolarHBondContact OD1-CD2 3.11Å; N9-F13 WeakPolarHBondContact OD1-CE2 3.3Å |
| 10 | I | 56.3 | Low | 54.8 | Low | 97 Ų | 97 | 129.2 Ų | 129.2 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -73.4 | -33.8 | -173.1 | -42.2 | 175.1 | 0 | 0 | 0 | 111.4 | Y7 F13 A14 | Y7-I10 HydrophobicContact CD1-CD1 3.67Å; Y7-I10 HydrophobicContact CE1-CD1 4.05Å; Y7-I10 HydrophobicContact CG-CD1 4.41Å; Y7-I10 PolarHBondContact O-N 3.4Å; I10-F13 PolarHBondContact O-N 3.28Å; I10-A14 PolarHBondContact O-N 3.45Å |
| 11 | E | 54.1 | Low | 54.7 | Low | 147 Ų | 147 | 127.2 Ų | 127.2 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.7 | -42.3 | 175.7 | -169.6 | 166.8 | -158 | 0 | 0 | 111.6 | N9 F13 A14 E15 | N9-E11 PolarHBondContact O-N 3.16Å; E11-F13 VanDerWaalsContact C-N 3.29Å; E11-F13 PolarHBondContact O-N 3.2Å; E11-A14 PolarHBondContact O-N 3.11Å; E11-E15 WeakPolarHBondContact O-CB 3.14Å; E11-E15 PolarHBondContact O-N 3.32Å |
| 12 | E | 53.2 | Low | 54.6 | Low | 140 Ų | 140 | 119.7 Ų | 119.7 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.5 | -35.5 | 173.4 | -170.3 | 177.5 | 105.8 | 0 | 0 | 112 | N9 G16 | N9-E12 PolarHBondContact O-N 3.18Å; E12-G16 PolarHBondContact O-N 2.79Å |
| 13 | F | 54.8 | Low | 54.7 | Low | 91 Ų | 91 | 120.4 Ų | 120.4 | 40% | 0.399 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.5 | -41.5 | 176.2 | -91.6 | -108.8 | 0 | 0 | 0 | 113 | N9 I10 E11 S17 E44 | N9-F13 WeakPolarHBondContact O-CD2 3.23Å; N9-F13 PolarHBondContact O-N 3.36Å; N9-F13 WeakPolarHBondContact OD1-CD2 3.11Å; N9-F13 WeakPolarHBondContact OD1-CE2 3.3Å; I10-F13 PolarHBondContact O-N 3.28Å; E11-F13 VanDerWaalsContact C-N 3.29Å; E11-F13 PolarHBondContact O-N 3.2Å; F13-S17 WeakPolarHBondContact O-CB 3.15Å; F13-S17 PolarHBondContact O-N 2.62Å; F13-E44 WeakPolarHBondContact CE1-OE1 3.29Å |
| 14 | A | 55.3 | Low | 54.6 | Low | 72 Ų | 72 | 120.8 Ų | 120.8 | 60% | 0.595 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.8 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I10 E11 S17 | I10-A14 PolarHBondContact O-N 3.45Å; E11-A14 PolarHBondContact O-N 3.11Å; A14-S17 PolarHBondContact O-N 2.84Å |
| 15 | E | 56.2 | Low | 54.5 | Low | 159 Ų | 159 | 117 Ų | 117 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.5 | -32.8 | 179.3 | -161.3 | 163.6 | -159.9 | 0 | 0 | 112.3 | E11 | E11-E15 WeakPolarHBondContact O-CB 3.14Å; E11-E15 PolarHBondContact O-N 3.32Å |
| 16 | G | 51.9 | Low | 54.5 | Low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.8 | -26.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E12 K18 | E12-G16 PolarHBondContact O-N 2.79Å; G16-K18 VanDerWaalsContact C-N 3.25Å; G16-K18 PolarHBondContact O-N 3.15Å |
| 17 | S | 57.4 | Low | 54.5 | Low | 42 Ų | 42 | 119 Ų | 119 | 29% | 0.294 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | 29.2 | -179.1 | -160.3 | 0 | 0 | 0 | 0 | 113.4 | F13 A14 I19 | F13-S17 WeakPolarHBondContact O-CB 3.15Å; F13-S17 PolarHBondContact O-N 2.62Å; A14-S17 PolarHBondContact O-N 2.84Å; S17-I19 PolarHBondContact O-N 3.36Å |
| 18 | K | 58.6 | Low | 54.7 | Low | 158 Ų | 158 | 112.3 Ų | 112.3 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | trans | -76.1 | 68.8 | 166.3 | -158.7 | 172.6 | -179.4 | 174.6 | 0 | 109 | G16 N20 | G16-K18 VanDerWaalsContact C-N 3.25Å; G16-K18 PolarHBondContact O-N 3.15Å; K18-N20 PolarHBondContact O-N 3.2Å | ||
| 19 | I | 62.1 | Low | 54.7 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 65% | 0.646 | 60% | 0.597 | S | S | * | * | trans | -62.8 | 91.4 | 164.6 | 48 | 161.9 | 0 | 0 | 0 | 106.9 | S17 A21 | S17-I19 PolarHBondContact O-N 3.36Å; I19-A21 PolarHBondContact O-N 3.3Å | ||
| 20 | N | 55.9 | Low | 54.8 | Low | 131 Ų | 131 | 112 Ų | 112 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -60.6 | 91.2 | 168.7 | -66.2 | -60.5 | 0 | 0 | 0 | 106.3 | K18 S22 | K18-N20 PolarHBondContact O-N 3.2Å; N20-S22 PolarHBondContact O-N 3.49Å | ||
| 21 | A | 52.3 | Low | 54.9 | Low | 88 Ų | 88 | 112.6 Ų | 112.6 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | trans | -65.7 | 80.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | I19 K23 | I19-A21 PolarHBondContact O-N 3.3Å; A21-K23 PolarHBondContact O-N 3.46Å | ||
| 22 | S | 50.8 | Low | 55.2 | Low | 84 Ų | 84 | 109.7 Ų | 109.7 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | trans | -54.2 | 106.9 | 169.4 | 173.3 | 0 | 0 | 0 | 0 | 106.2 | N20 N24 | N20-S22 PolarHBondContact O-N 3.49Å; S22-N24 PolarHBondContact O-N 3.46Å | ||
| 23 | K | 52.4 | Low | 55.7 | Low | 200 Ų | 200 | 106.1 Ų | 106.1 | 87% | 0.87 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 19.4 | -167.4 | -151.1 | 171.5 | 174.6 | 177.1 | 0 | 113.3 | A21 | A21-K23 PolarHBondContact O-N 3.46Š|
| 24 | N | 52 | Low | 56.4 | Low | 143 Ų | 143 | 108.2 Ų | 108.2 | 77% | 0.765 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 10.9 | -169.8 | -78.3 | -13.1 | 0 | 0 | 0 | 114.9 | S22 | S22-N24 PolarHBondContact O-N 3.46Š|
| 25 | Q | 50.9 | Low | 57.4 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | trans | -148.6 | 67.3 | -172 | -115.6 | 153.4 | -85.6 | 0 | 0 | 110.5 | D27 D28 G29 | Q25-D27 PolarHBondContact O-N 2.93Å; Q25-D28 HydrophobicContact CB-CB 3.83Å; Q25-D28 HydrophobicContact CG-CB 3.71Å; Q25-D28 VanDerWaalsContact NE2-CG 3.26Å; Q25-D28 PolarHBondContact NE2-OD2 3.26Å; Q25-D28 CarbonylContact O-C 3.57Å; Q25-D28 PolarHBondContact O-N 2.98Å; Q25-D28 VanDerWaalsContact O-N 3.15Å; Q25-G29 PolarHBondContact O-N 3.43Å | ||
| 26 | Q | 55.2 | Low | 58.4 | Low | 192 Ų | 192 | 108.1 Ų | 108.1 | 90% | 0.897 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.2 | -22.3 | 172.7 | -66.6 | -168.9 | -74.6 | 0 | 0 | 112 | ||
| 27 | D | 53 | Low | 59.6 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81.9 | -31.8 | 173.6 | -153.9 | 51.7 | 0 | 0 | 0 | 113.3 | Q25 | Q25-D27 PolarHBondContact O-N 2.93Å |
| 28 | D | 56.5 | Low | 60.6 | Low | 47 Ų | 47 | 112.6 Ų | 112.6 | 25% | 0.251 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -87.6 | -11.2 | 172.8 | -66.4 | 7.3 | 0 | 0 | 0 | 112.7 | Q25 L30 K31 I32 | Q25-D28 HydrophobicContact CB-CB 3.83Å; Q25-D28 HydrophobicContact CG-CB 3.71Å; Q25-D28 VanDerWaalsContact NE2-CG 3.26Å; Q25-D28 PolarHBondContact NE2-OD2 3.26Å; Q25-D28 CarbonylContact O-C 3.57Å; Q25-D28 PolarHBondContact O-N 2.98Å; Q25-D28 VanDerWaalsContact O-N 3.15Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.16Å; D28-K31 HydrophobicContact CB-CB 4.49Å; D28-K31 HydrophobicContact CB-CD 4.21Å; D28-K31 CarbonylContact O-C 3.55Å; D28-K31 WeakPolarHBondContact O-CA 3.4Å; D28-K31 WeakPolarHBondContact O-CB 3.45Å; D28-K31 PolarHBondContact O-N 3.23Å; D28-K31 VanDerWaalsContact OD1-CD 3.3Å; D28-K31 WeakPolarHBondContact OD1-CD 3.46Å; D28-K31 WeakPolarHBondContact OD1-CE 3.39Å; D28-K31 IonicContact OD1-NZ 2.66Å; D28-K31 PolarHBondContact OD1-NZ 2.83Å; D28-I32 VanDerWaalsContact O-CG1 3.24Å; D28-I32 WeakPolarHBondContact O-CG1 3.42Å; D28-I32 PolarHBondContact O-N 3.17Å |
| 29 | G | 54.8 | Low | 61.4 | Low | 28 Ų | 28 | 109.6 Ų | 109.6 | 29% | 0.289 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.3 | -40.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q25 K31 I32 L33 | Q25-G29 PolarHBondContact O-N 3.43Å; G29-K31 VanDerWaalsContact C-N 3.31Å; G29-K31 PolarHBondContact O-N 3.1Å; G29-I32 WeakPolarHBondContact O-CB 3.24Å; G29-I32 PolarHBondContact O-N 2.95Å; G29-L33 WeakPolarHBondContact O-CG 3.37Å; G29-L33 PolarHBondContact O-N 3.07Å; G29-L33 VanDerWaalsContact O-N 3.11Å |
| 30 | L | 56.7 | Low | 62.2 | Low | 121 Ų | 121 | 109.2 Ų | 109.2 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -33.6 | 171.8 | -81.7 | 162.5 | 0 | 0 | 0 | 112.2 | D28 I32 L33 N34 | D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.16Å; L30-I32 VanDerWaalsContact C-N 3.34Å; L30-L33 HydrophobicContact CD2-CD1 4.47Å; L30-L33 PolarHBondContact O-N 3.08Å; L30-N34 PolarHBondContact O-N 2.92Å |
| 31 | K | 59.7 | Low | 63 | Low | 109 Ų | 109 | 104.6 Ų | 104.6 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70 | -34.8 | 176.3 | -54.2 | 179.7 | -165.1 | 167.2 | 0 | 111.3 | D28 G29 L33 N34 F35 | D28-K31 HydrophobicContact CB-CB 4.49Å; D28-K31 HydrophobicContact CB-CD 4.21Å; D28-K31 CarbonylContact O-C 3.55Å; D28-K31 WeakPolarHBondContact O-CA 3.4Å; D28-K31 WeakPolarHBondContact O-CB 3.45Å; D28-K31 PolarHBondContact O-N 3.23Å; D28-K31 VanDerWaalsContact OD1-CD 3.3Å; D28-K31 WeakPolarHBondContact OD1-CD 3.46Å; D28-K31 WeakPolarHBondContact OD1-CE 3.39Å; D28-K31 IonicContact OD1-NZ 2.66Å; D28-K31 PolarHBondContact OD1-NZ 2.83Å; G29-K31 VanDerWaalsContact C-N 3.31Å; G29-K31 PolarHBondContact O-N 3.1Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-N34 PolarHBondContact O-N 2.88Å; K31-N34 VanDerWaalsContact O-N 3.16Å; K31-F35 WeakPolarHBondContact O-CD2 3.44Å; K31-F35 VanDerWaalsContact O-CE2 3.23Å; K31-F35 WeakPolarHBondContact O-CE2 3.34Å |
| 32 | I | 60.5 | Low | 64.2 | Low | 86 Ų | 86 | 104.4 Ų | 104.4 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 172.4 | -68.3 | 164.9 | 0 | 0 | 0 | 110.2 | D28 G29 L30 N34 F35 I38 | D28-I32 VanDerWaalsContact O-CG1 3.24Å; D28-I32 WeakPolarHBondContact O-CG1 3.42Å; D28-I32 PolarHBondContact O-N 3.17Å; G29-I32 WeakPolarHBondContact O-CB 3.24Å; G29-I32 PolarHBondContact O-N 2.95Å; L30-I32 VanDerWaalsContact C-N 3.34Å; I32-N34 VanDerWaalsContact C-N 3.26Å; I32-N34 PolarHBondContact O-N 3.38Å; I32-F35 WeakPolarHBondContact O-CD2 3.24Å; I32-F35 PolarHBondContact O-N 2.99Å; I32-I38 HydrophobicContact CG2-CD1 3.37Å; I32-I38 WeakPolarHBondContact O-CD1 3.4Å |
| 33 | L | 63.6 | Low | 65.4 | Low | 64 Ų | 64 | 108.4 Ų | 108.4 | 34% | 0.335 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.5 | -22.5 | 174 | -62.9 | 176.7 | 0 | 0 | 0 | 113.6 | G29 L30 K31 F35 I38 Q39 M42 | G29-L33 WeakPolarHBondContact O-CG 3.37Å; G29-L33 PolarHBondContact O-N 3.07Å; G29-L33 VanDerWaalsContact O-N 3.11Å; L30-L33 HydrophobicContact CD2-CD1 4.47Å; L30-L33 PolarHBondContact O-N 3.08Å; K31-L33 VanDerWaalsContact C-N 3.32Å; L33-F35 VanDerWaalsContact C-N 3.26Å; L33-F35 PolarHBondContact O-N 3.46Å; L33-I38 HydrophobicContact CD2-CG2 4.47Å; L33-Q39 WeakPolarHBondContact O-CG 3.41Å; L33-Q39 PolarHBondContact O-NE2 3.41Å; L33-M42 HydrophobicContact CD2-CE 3.31Å; L33-M42 HydrophobicContact CD2-SD 3.59Å; L33-M42 VanDerWaalsContact CD2-SD 3.59Å |
| 34 | N | 67.9 | Low | 66.4 | Low | 136 Ų | 136 | 102.5 Ų | 102.5 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.6 | 179 | -165.7 | 59.9 | 0 | 0 | 0 | 113.7 | L30 K31 I32 P36 | L30-N34 PolarHBondContact O-N 2.92Å; K31-N34 PolarHBondContact O-N 2.88Å; K31-N34 VanDerWaalsContact O-N 3.16Å; I32-N34 VanDerWaalsContact C-N 3.26Å; I32-N34 PolarHBondContact O-N 3.38Å; N34-P36 WeakPolarHBondContact O-CD 3.23Å |
| 35 | F | 77.9 | Confident | 67.4 | Low | 119 Ų | 119 | 100.5 Ų | 100.5 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -75.7 | 123.8 | 174.2 | -70.6 | -83.5 | 0 | 0 | 0 | 110.2 | K31 I32 L33 W37 I38 Q39 | K31-F35 WeakPolarHBondContact O-CD2 3.44Å; K31-F35 VanDerWaalsContact O-CE2 3.23Å; K31-F35 WeakPolarHBondContact O-CE2 3.34Å; I32-F35 WeakPolarHBondContact O-CD2 3.24Å; I32-F35 PolarHBondContact O-N 2.99Å; L33-F35 VanDerWaalsContact C-N 3.26Å; L33-F35 PolarHBondContact O-N 3.46Å; F35-W37 PolarHBondContact O-N 3.27Å; F35-I38 HydrophobicContact CB-CB 4.45Å; F35-I38 HydrophobicContact CB-CD1 4.4Å; F35-I38 HydrophobicContact CB-CG1 4.27Å; F35-I38 PolarHBondContact O-N 3.05Å; F35-Q39 PolarHBondContact O-N 3.03Å; F35-Q39 VanDerWaalsContact O-N 3.17Å |
| 36 | P | 76.6 | Confident | 68.6 | Low | 109 Ų | 109 | 101 Ų | 101 | 71% | 0.708 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.7 | -31.1 | -178.8 | -27.7 | 35.1 | 0 | 0 | 0 | 113.8 | N34 K40 | N34-P36 WeakPolarHBondContact O-CD 3.23Å; P36-K40 PolarHBondContact O-N 3.04Å; P36-K40 VanDerWaalsContact O-N 3.1Å |
| 37 | W | 77.3 | Confident | 69.6 | Low | 167 Ų | 167 | 98.8 Ų | 98.8 | 63% | 0.633 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 175.4 | 179.6 | -109.2 | 0 | 0 | 0 | 112.5 | F35 K40 Q41 | F35-W37 PolarHBondContact O-N 3.27Å; W37-K40 HydrophobicContact CZ3-CD 4.36Å; W37-K40 WeakPolarHBondContact O-CB 3.44Å; W37-K40 PolarHBondContact O-N 3.18Å; W37-Q41 HydrophobicContact CZ2-CG 4.49Å; W37-Q41 WeakPolarHBondContact O-CG 3.37Å; W37-Q41 PolarHBondContact O-N 2.91Å; W37-Q41 VanDerWaalsContact O-N 3.08Å |
| 38 | I | 77.1 | Confident | 70.6 | Confident | 39 Ų | 39 | 96.8 Ų | 96.8 | 20% | 0.2 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -72.2 | -36 | -178.6 | -64.8 | -174.8 | 0 | 0 | 0 | 111 | I32 L33 F35 K40 Q41 M42 | I32-I38 HydrophobicContact CG2-CD1 3.37Å; I32-I38 WeakPolarHBondContact O-CD1 3.4Å; L33-I38 HydrophobicContact CD2-CG2 4.47Å; F35-I38 HydrophobicContact CB-CB 4.45Å; F35-I38 HydrophobicContact CB-CD1 4.4Å; F35-I38 HydrophobicContact CB-CG1 4.27Å; F35-I38 PolarHBondContact O-N 3.05Å; I38-K40 VanDerWaalsContact C-N 3.29Å; I38-K40 PolarHBondContact O-N 3.25Å; I38-Q41 PolarHBondContact O-N 2.91Å; I38-M42 PolarHBondContact O-N 2.71Å |
| 39 | Q | 75.7 | Confident | 71.6 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 171.2 | -66.3 | -69.3 | -77 | 0 | 0 | 112.4 | L33 F35 K43 | L33-Q39 WeakPolarHBondContact O-CG 3.41Å; L33-Q39 PolarHBondContact O-NE2 3.41Å; F35-Q39 PolarHBondContact O-N 3.03Å; F35-Q39 VanDerWaalsContact O-N 3.17Å; Q39-K43 PolarHBondContact O-N 3.38Å |
| 40 | K | 79.1 | Confident | 72.5 | Confident | 119 Ų | 119 | 101.6 Ų | 101.6 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.3 | -173.4 | -178.4 | 176.6 | -170.1 | 0 | 111.2 | P36 W37 I38 K43 E44 | P36-K40 PolarHBondContact O-N 3.04Å; P36-K40 VanDerWaalsContact O-N 3.1Å; W37-K40 HydrophobicContact CZ3-CD 4.36Å; W37-K40 WeakPolarHBondContact O-CB 3.44Å; W37-K40 PolarHBondContact O-N 3.18Å; I38-K40 VanDerWaalsContact C-N 3.29Å; I38-K40 PolarHBondContact O-N 3.25Å; K40-K43 PolarHBondContact O-N 3.4Å; K40-E44 PolarHBondContact O-N 3.4Å; K40-E44 VanDerWaalsContact O-N 3.16Å |
| 41 | Q | 73.3 | Confident | 73.3 | Confident | 34 Ų | 34 | 100.1 Ų | 100.1 | 16% | 0.159 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 177.7 | -65.5 | -61.4 | -72.5 | 0 | 0 | 111.8 | W37 I38 K43 E44 E45 | W37-Q41 HydrophobicContact CZ2-CG 4.49Å; W37-Q41 WeakPolarHBondContact O-CG 3.37Å; W37-Q41 PolarHBondContact O-N 2.91Å; W37-Q41 VanDerWaalsContact O-N 3.08Å; I38-Q41 PolarHBondContact O-N 2.91Å; Q41-K43 VanDerWaalsContact C-N 3.32Å; Q41-K43 PolarHBondContact O-N 3.11Å; Q41-E44 WeakPolarHBondContact O-CB 3.28Å; Q41-E44 PolarHBondContact O-N 2.91Å; Q41-E45 PolarHBondContact O-N 2.94Å |
| 42 | M | 76.9 | Confident | 74 | Confident | 84 Ų | 84 | 99.5 Ų | 99.5 | 41% | 0.414 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.5 | -75.9 | -172.4 | 159.2 | 0 | 0 | 113.2 | L33 I38 E44 E45 D46 | L33-M42 HydrophobicContact CD2-CE 3.31Å; L33-M42 HydrophobicContact CD2-SD 3.59Å; L33-M42 VanDerWaalsContact CD2-SD 3.59Å; I38-M42 PolarHBondContact O-N 2.71Å; M42-E44 VanDerWaalsContact C-N 3.3Å; M42-E44 PolarHBondContact O-N 2.71Å; M42-E45 PolarHBondContact O-N 2.81Å; M42-D46 WeakPolarHBondContact O-CB 3.37Å; M42-D46 PolarHBondContact O-N 3.12Å |
| 43 | K | 76.4 | Confident | 74.6 | Confident | 167 Ų | 167 | 101.6 Ų | 101.6 | 73% | 0.726 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -33.8 | 175.3 | -94.2 | -174.4 | 172.5 | -168.9 | 0 | 113.1 | Q39 K40 Q41 F47 | Q39-K43 PolarHBondContact O-N 3.38Å; K40-K43 PolarHBondContact O-N 3.4Å; Q41-K43 VanDerWaalsContact C-N 3.32Å; Q41-K43 PolarHBondContact O-N 3.11Å; K43-F47 VanDerWaalsContact O-CB 3.24Å; K43-F47 WeakPolarHBondContact O-CB 3.47Å; K43-F47 PolarHBondContact O-N 3.43Å |
| 44 | E | 73.7 | Confident | 74.8 | Confident | 76 Ų | 76 | 104.7 Ų | 104.7 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74 | -41.8 | 178.7 | -164.2 | 165.4 | 84.3 | 0 | 0 | 110.8 | F13 K40 Q41 M42 F47 V48 | F13-E44 WeakPolarHBondContact CE1-OE1 3.29Å; K40-E44 PolarHBondContact O-N 3.4Å; K40-E44 VanDerWaalsContact O-N 3.16Å; Q41-E44 WeakPolarHBondContact O-CB 3.28Å; Q41-E44 PolarHBondContact O-N 2.91Å; M42-E44 VanDerWaalsContact C-N 3.3Å; M42-E44 PolarHBondContact O-N 2.71Å; E44-F47 WeakPolarHBondContact O-CB 3.36Å; E44-F47 PolarHBondContact O-N 2.82Å; E44-V48 VanDerWaalsContact O-CG2 3.29Å; E44-V48 WeakPolarHBondContact O-CG2 3.2Å; E44-V48 PolarHBondContact O-N 3.48Å |
| 45 | E | 73.5 | Confident | 74.6 | Confident | 102 Ų | 102 | 105.4 Ų | 105.4 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 172.8 | -68.7 | -177 | 99.4 | 0 | 0 | 111.8 | Q41 M42 F47 V48 L49 | Q41-E45 PolarHBondContact O-N 2.94Å; M42-E45 PolarHBondContact O-N 2.81Å; E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 3.28Å; E45-V48 PolarHBondContact O-N 3.36Å; E45-L49 WeakPolarHBondContact O-CB 3.34Å; E45-L49 VanDerWaalsContact O-CG 3.28Å; E45-L49 WeakPolarHBondContact O-CG 3.47Å; E45-L49 PolarHBondContact O-N 3Å |
| 46 | D | 75.6 | Confident | 73.9 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -39.7 | 175 | -85.3 | -6.6 | 0 | 0 | 0 | 111.8 | M42 S50 | M42-D46 WeakPolarHBondContact O-CB 3.37Å; M42-D46 PolarHBondContact O-N 3.12Å; D46-S50 WeakPolarHBondContact O-CB 3.44Å; D46-S50 PolarHBondContact O-N 3.39Å |
| 47 | F | 75.3 | Confident | 72.8 | Confident | 147 Ų | 147 | 110 Ų | 110 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 177 | 177.6 | -99.9 | 0 | 0 | 0 | 111.9 | K43 E44 E45 S50 H51 | K43-F47 VanDerWaalsContact O-CB 3.24Å; K43-F47 WeakPolarHBondContact O-CB 3.47Å; K43-F47 PolarHBondContact O-N 3.43Å; E44-F47 WeakPolarHBondContact O-CB 3.36Å; E44-F47 PolarHBondContact O-N 2.82Å; E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 3.28Å; F47-S50 PolarHBondContact O-N 3.42Å; F47-H51 PolarHBondContact O-N 3.03Å |
| 48 | V | 74.9 | Confident | 72.6 | Confident | 73 Ų | 73 | 107.2 Ų | 107.2 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | E44 E45 S50 H51 I52 | E44-V48 VanDerWaalsContact O-CG2 3.29Å; E44-V48 WeakPolarHBondContact O-CG2 3.2Å; E44-V48 PolarHBondContact O-N 3.48Å; E45-V48 PolarHBondContact O-N 3.36Å; V48-S50 PolarHBondContact O-N 3.06Å; V48-H51 PolarHBondContact O-N 3.33Å; V48-I52 HydrophobicContact CG1-CD1 3.76Å; V48-I52 HydrophobicContact CG1-CG1 4.45Å; V48-I52 VanDerWaalsContact O-CG1 3.29Å; V48-I52 WeakPolarHBondContact O-CG1 3.37Å; V48-I52 PolarHBondContact O-N 3.01Å |
| 49 | L | 77.8 | Confident | 72.4 | Confident | 109 Ų | 109 | 110.7 Ų | 110.7 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 176.8 | -71.1 | 171.1 | 0 | 0 | 0 | 112 | E45 H51 I52 L53 | E45-L49 WeakPolarHBondContact O-CB 3.34Å; E45-L49 VanDerWaalsContact O-CG 3.28Å; E45-L49 WeakPolarHBondContact O-CG 3.47Å; E45-L49 PolarHBondContact O-N 3Å; L49-H51 VanDerWaalsContact C-N 3.3Å; L49-H51 PolarHBondContact O-N 3.1Å; L49-I52 PolarHBondContact O-N 2.98Å; L49-L53 WeakPolarHBondContact O-CB 2.9Å; L49-L53 PolarHBondContact O-N 3.29Å |
| 50 | S | 74.1 | Confident | 72.2 | Confident | 68 Ų | 68 | 111.7 Ų | 111.7 | 48% | 0.476 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.3 | -39.5 | 175.1 | -175 | 0 | 0 | 0 | 0 | 111.9 | D46 F47 V48 M54 | D46-S50 WeakPolarHBondContact O-CB 3.44Å; D46-S50 PolarHBondContact O-N 3.39Å; F47-S50 PolarHBondContact O-N 3.42Å; V48-S50 PolarHBondContact O-N 3.06Å; S50-M54 VanDerWaalsContact O-CB 3.23Å; S50-M54 WeakPolarHBondContact O-CB 3.29Å; S50-M54 PolarHBondContact O-N 3.17Å |
| 51 | H | 72.2 | Confident | 71.8 | Confident | 89 Ų | 89 | 111.2 Ų | 111.2 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -39.1 | 179.1 | -170.2 | 61 | 0 | 0 | 0 | 112.3 | F47 V48 L49 K55 | F47-H51 PolarHBondContact O-N 3.03Å; V48-H51 PolarHBondContact O-N 3.33Å; L49-H51 VanDerWaalsContact C-N 3.3Å; L49-H51 PolarHBondContact O-N 3.1Å; H51-K55 WeakPolarHBondContact NE2-CE 3.42Å; H51-K55 WeakPolarHBondContact O-CB 3.36Å; H51-K55 WeakPolarHBondContact O-CG 3.08Å; H51-K55 PolarHBondContact O-N 3.43Å; H51-K55 VanDerWaalsContact O-N 3.1Å |
| 52 | I | 75.5 | Confident | 71.7 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 176.1 | -65.8 | 166.1 | 0 | 0 | 0 | 110.8 | V48 L49 K55 S56 | V48-I52 HydrophobicContact CG1-CD1 3.76Å; V48-I52 HydrophobicContact CG1-CG1 4.45Å; V48-I52 VanDerWaalsContact O-CG1 3.29Å; V48-I52 WeakPolarHBondContact O-CG1 3.37Å; V48-I52 PolarHBondContact O-N 3.01Å; L49-I52 PolarHBondContact O-N 2.98Å; I52-K55 PolarHBondContact O-N 3.48Å; I52-S56 PolarHBondContact O-N 2.94Å; I52-S56 PolarHBondContact O-OG 3.43Å; I52-S56 VanDerWaalsContact O-OG 3.11Å |
| 53 | L | 72.2 | Confident | 71.3 | Confident | 129 Ų | 129 | 118.2 Ų | 118.2 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.1 | -43.6 | 178.2 | -176.3 | 67.1 | 0 | 0 | 0 | 111.5 | L49 K55 S56 | L49-L53 WeakPolarHBondContact O-CB 2.9Å; L49-L53 PolarHBondContact O-N 3.29Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.31Å; L53-S56 PolarHBondContact O-N 2.79Å; L53-S56 VanDerWaalsContact O-N 3.12Å |
| 54 | M | 68.6 | Low | 71 | Confident | 129 Ų | 129 | 114.7 Ų | 114.7 | 64% | 0.635 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.1 | -23.3 | -179 | -161 | 162.6 | 72.9 | 0 | 0 | 113 | S50 S56 | S50-M54 VanDerWaalsContact O-CB 3.23Å; S50-M54 WeakPolarHBondContact O-CB 3.29Å; S50-M54 PolarHBondContact O-N 3.17Å; M54-S56 VanDerWaalsContact C-N 3.33Å |
| 55 | K | 64 | Low | 70.7 | Confident | 151 Ų | 151 | 117.7 Ų | 117.7 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -10.3 | 171.1 | -78.7 | -176.5 | 163.6 | -172.3 | 0 | 114.3 | H51 I52 L53 | H51-K55 WeakPolarHBondContact NE2-CE 3.42Å; H51-K55 WeakPolarHBondContact O-CB 3.36Å; H51-K55 WeakPolarHBondContact O-CG 3.08Å; H51-K55 PolarHBondContact O-N 3.43Å; H51-K55 VanDerWaalsContact O-N 3.1Å; I52-K55 PolarHBondContact O-N 3.48Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.31Å |
| 56 | S | 62.6 | Low | 70.5 | Confident | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 12.5 | -179.3 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | I52 L53 M54 | I52-S56 PolarHBondContact O-N 2.94Å; I52-S56 PolarHBondContact O-OG 3.43Å; I52-S56 VanDerWaalsContact O-OG 3.11Å; L53-S56 PolarHBondContact O-N 2.79Å; L53-S56 VanDerWaalsContact O-N 3.12Å; M54-S56 VanDerWaalsContact C-N 3.33Å |
| 57 | Q | 53.6 | Low | 70.1 | Confident | 229 Ų | 229 | 119.7 Ų | 119.7 | 100% | 1.07 | 61% | 0.614 | S | S | * | * | trans | -105.9 | 0 | 169.5 | -71.4 | -171.1 | -48.6 | 0 | 0 | 110.5 |
Retrieved 57 of 57 residues in 47.5 ms
(Link to these results)