| 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 | 40.8 | Very low | 51.2 | Low | 238 Ų | 238 | 157.3 Ų | 157.3 | 100% | 1.172 | 82% | 0.816 | S | S | * | * | 0 | 101.5 | 0 | -80.6 | 165.3 | 138.9 | 0 | 0 | 104.8 | E3 | M1-E3 PolarHBondContact O-N 2.89Š| |||
| 2 | T | 48.7 | Very low | 52.4 | Low | 148 Ų | 148 | 160.8 Ų | 160.8 | 91% | 0.908 | 82% | 0.82 | S | S | * | * | trans | -86.6 | 107.8 | -174.3 | -44.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | E | 44 | Very low | 53.8 | Low | 185 Ų | 185 | 163.2 Ų | 163.2 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -76.8 | 117 | 175.1 | -62.8 | 177.5 | 153.9 | 0 | 0 | 107.8 | M1 | M1-E3 PolarHBondContact O-N 2.89Š| ||
| 4 | D | 52.9 | Low | 54.9 | Low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -79.9 | 123.4 | 173.4 | -160.1 | -18.8 | 0 | 0 | 0 | 108 | E6 | D4-E6 PolarHBondContact O-N 3.4Š| ||
| 5 | P | 52.9 | Low | 56.1 | Low | 110 Ų | 110 | 152.3 Ų | 152.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 114.3 | 179.8 | 28.4 | -31.9 | 0 | 0 | 0 | 110.4 | D7 | P5-D7 PolarHBondContact O-N 3.21Š| ||
| 6 | E | 46.3 | Very low | 57.4 | Low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -60 | 96.8 | 164.2 | -67 | -170.1 | 148.6 | 0 | 0 | 109.9 | D4 N8 | D4-E6 PolarHBondContact O-N 3.4Å; E6-N8 VanDerWaalsContact C-N 3.3Å; E6-N8 PolarHBondContact O-N 3.34Å | ||
| 7 | D | 48.2 | Very low | 58.5 | Low | 138 Ų | 138 | 148.1 Ų | 148.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -73.9 | 84.1 | 168.6 | -168.1 | 27.2 | 0 | 0 | 0 | 109.4 | P5 E9 | P5-D7 PolarHBondContact O-N 3.21Å; D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 2.98Å | ||
| 8 | N | 48.9 | Very low | 59.5 | Low | 129 Ų | 129 | 147.1 Ų | 147.1 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -94.7 | 59.9 | 173.8 | -165.9 | -3 | 0 | 0 | 0 | 110 | E6 K10 | E6-N8 VanDerWaalsContact C-N 3.3Å; E6-N8 PolarHBondContact O-N 3.34Å; N8-K10 PolarHBondContact O-N 3.26Å | ||
| 9 | E | 56.8 | Low | 60.3 | Low | 167 Ų | 167 | 143.8 Ų | 143.8 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | trans | -75.4 | 101.4 | 168.7 | -81.8 | -157.8 | 149.9 | 0 | 0 | 110.1 | D7 | D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 2.98Å | ||
| 10 | K | 60.9 | Low | 61 | Low | 176 Ų | 176 | 146.1 Ų | 146.1 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128 | 172 | -69.1 | 175.6 | -179.3 | 173.3 | 0 | 110.3 | N8 K12 | N8-K10 PolarHBondContact O-N 3.26Å; K10-K12 PolarHBondContact O-N 2.89Å |
| 11 | P | 62.9 | Low | 61.9 | Low | 104 Ų | 104 | 141 Ų | 141 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.9 | -178.1 | 21.1 | -30.2 | 0 | 0 | 0 | 111.7 | ||
| 12 | K | 65.7 | Low | 63.8 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.7 | 176 | -68.7 | 175.3 | -175.9 | 164.7 | 0 | 109.7 | K10 | K10-K12 PolarHBondContact O-N 2.89Š|
| 13 | K | 70.9 | Confident | 65.2 | Low | 192 Ų | 192 | 126.2 Ų | 126.2 | 84% | 0.835 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125.8 | -179.9 | -70 | 179.3 | 179.9 | 178.6 | 0 | 110.1 | ||
| 14 | P | 68.4 | Low | 67.1 | Low | 44 Ų | 44 | 122.2 Ų | 122.2 | 29% | 0.286 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 134.9 | 177.3 | 26.7 | -33.8 | 0 | 0 | 0 | 110.5 | E19 R20 A23 | P14-E19 HydrophobicContact CB-CB 3.57Å; P14-E19 WeakPolarHBondContact CB-O 3.44Å; P14-R20 HydrophobicContact CB-CB 4.29Å; P14-R20 HydrophobicContact CG-CB 4.27Å; P14-R20 HydrophobicContact CG-CG 4.23Å; P14-A23 HydrophobicContact CB-CB 4.22Å; P14-A23 HydrophobicContact CG-CB 3.98Å |
| 15 | T | 73.1 | Confident | 68.7 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 74% | 0.736 | 63% | 0.628 | S | S | * | * | trans | -106.2 | -23.9 | -173.8 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | E19 | T15-E19 PolarHBondContact N-OE2 2.91Å; T15-E19 PolarHBondContact OG1-OE2 3.26Å | ||
| 16 | T | 76.7 | Confident | 70 | Confident | 64 Ų | 64 | 122 Ų | 122 | 39% | 0.393 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -106.5 | 160.9 | 177.7 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | D18 E19 R20 | T16-D18 PolarHBondContact O-N 3.28Å; T16-E19 PolarHBondContact N-OE2 3.45Å; T16-E19 PolarHBondContact O-N 3.38Å; T16-E19 VanDerWaalsContact OG1-CB 3.32Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 VanDerWaalsContact OG1-CD 3.22Å; T16-E19 WeakPolarHBondContact OG1-CG 3.3Å; T16-E19 PolarHBondContact OG1-N 3.44Å; T16-E19 VanDerWaalsContact OG1-N 3.15Å; T16-R20 WeakPolarHBondContact O-CB 3.31Å; T16-R20 PolarHBondContact O-N 3.46Å |
| 17 | H | 76.8 | Confident | 71.8 | Confident | 169 Ų | 169 | 119.1 Ų | 119.1 | 78% | 0.782 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -56.8 | -41.5 | 175.3 | 176.2 | -87.3 | 0 | 0 | 0 | 111.3 | R20 G21 | H17-R20 PolarHBondContact O-N 3.24Å; H17-G21 PolarHBondContact O-N 3.06Å; H17-G21 VanDerWaalsContact O-N 3.16Å |
| 18 | D | 77.1 | Confident | 73.7 | Confident | 129 Ų | 129 | 118.1 Ų | 118.1 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71 | -40.8 | -178.7 | -58.6 | -23.8 | 0 | 0 | 0 | 111.8 | T16 R20 G21 A22 | T16-D18 PolarHBondContact O-N 3.28Å; D18-R20 VanDerWaalsContact C-N 3.26Å; D18-R20 PolarHBondContact O-N 3.08Å; D18-G21 PolarHBondContact O-N 3.44Å; D18-A22 WeakPolarHBondContact O-CB 3.42Å; D18-A22 PolarHBondContact O-N 2.99Å |
| 19 | E | 74.5 | Confident | 75.5 | Confident | 85 Ų | 85 | 117.8 Ų | 117.8 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.9 | -34 | 172.8 | -74.8 | 165.4 | -165.7 | 0 | 0 | 111.9 | P14 T15 T16 A23 | P14-E19 HydrophobicContact CB-CB 3.57Å; P14-E19 WeakPolarHBondContact CB-O 3.44Å; T15-E19 PolarHBondContact N-OE2 2.91Å; T15-E19 PolarHBondContact OG1-OE2 3.26Å; T16-E19 PolarHBondContact N-OE2 3.45Å; T16-E19 PolarHBondContact O-N 3.38Å; T16-E19 VanDerWaalsContact OG1-CB 3.32Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 VanDerWaalsContact OG1-CD 3.22Å; T16-E19 WeakPolarHBondContact OG1-CG 3.3Å; T16-E19 PolarHBondContact OG1-N 3.44Å; T16-E19 VanDerWaalsContact OG1-N 3.15Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.12Å |
| 20 | R | 73.8 | Confident | 77 | Confident | 189 Ų | 189 | 114.7 Ų | 114.7 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69 | -40.2 | 179 | -161.8 | 179.1 | -152.2 | 174.8 | 6.5 | 111.6 | P14 T16 H17 D18 D24 | P14-R20 HydrophobicContact CB-CB 4.29Å; P14-R20 HydrophobicContact CG-CB 4.27Å; P14-R20 HydrophobicContact CG-CG 4.23Å; T16-R20 WeakPolarHBondContact O-CB 3.31Å; T16-R20 PolarHBondContact O-N 3.46Å; H17-R20 PolarHBondContact O-N 3.24Å; D18-R20 VanDerWaalsContact C-N 3.26Å; D18-R20 PolarHBondContact O-N 3.08Å; R20-D24 PolarHBondContact O-N 3.29Å |
| 21 | G | 79.9 | Confident | 78.4 | Confident | 40 Ų | 40 | 116.1 Ų | 116.1 | 41% | 0.412 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.8 | -46.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | H17 D18 A23 D24 L25 | H17-G21 PolarHBondContact O-N 3.06Å; H17-G21 VanDerWaalsContact O-N 3.16Å; D18-G21 PolarHBondContact O-N 3.44Å; G21-A23 PolarHBondContact O-N 3.36Å; G21-D24 PolarHBondContact O-N 3.02Å; G21-L25 WeakPolarHBondContact O-CG 3.46Å; G21-L25 PolarHBondContact O-N 3.32Å |
| 22 | A | 81 | Confident | 79.6 | Confident | 59 Ų | 59 | 118.4 Ų | 118.4 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | D18 D24 L25 E26 | D18-A22 WeakPolarHBondContact O-CB 3.42Å; D18-A22 PolarHBondContact O-N 2.99Å; A22-D24 PolarHBondContact O-N 3.29Å; A22-L25 PolarHBondContact O-N 3.29Å; A22-E26 PolarHBondContact O-N 2.88Å; A22-E26 VanDerWaalsContact O-N 3.11Å |
| 23 | A | 78.1 | Confident | 80.8 | Confident | 16 Ų | 16 | 115.9 Ų | 115.9 | 13% | 0.132 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -68.5 | -22.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P14 E19 G21 R27 | P14-A23 HydrophobicContact CB-CB 4.22Å; P14-A23 HydrophobicContact CG-CB 3.98Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.12Å; G21-A23 PolarHBondContact O-N 3.36Å; A23-R27 PolarHBondContact O-NH1 3.02Å |
| 24 | D | 82.6 | Confident | 81.6 | Confident | 102 Ų | 102 | 114.9 Ų | 114.9 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.5 | -39.2 | 172.3 | -157.9 | 54.4 | 0 | 0 | 0 | 111.3 | R20 G21 A22 E26 R27 | R20-D24 PolarHBondContact O-N 3.29Å; G21-D24 PolarHBondContact O-N 3.02Å; A22-D24 PolarHBondContact O-N 3.29Å; D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.33Å; D24-R27 PolarHBondContact O-N 3.39Å; D24-R27 IonicContact OD1-NH1 3.5Å; D24-R27 PolarHBondContact OD1-NH1 3.08Å |
| 25 | L | 87.7 | Confident | 82.6 | Confident | 128 Ų | 128 | 121.1 Ų | 121.1 | 67% | 0.67 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -34.5 | 176.1 | -66.2 | 175.4 | 0 | 0 | 0 | 112.8 | G21 A22 R27 V28 | G21-L25 WeakPolarHBondContact O-CG 3.46Å; G21-L25 PolarHBondContact O-N 3.32Å; A22-L25 PolarHBondContact O-N 3.29Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 2.97Å; L25-V28 WeakPolarHBondContact O-CB 3.32Å; L25-V28 PolarHBondContact O-N 3.41Å |
| 26 | E | 80.3 | Confident | 83.3 | Confident | 125 Ų | 125 | 124.7 Ų | 124.7 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.6 | -38.6 | 177.7 | -170 | 172.6 | -155.9 | 0 | 0 | 112.1 | A22 D24 V28 T29 | A22-E26 PolarHBondContact O-N 2.88Å; A22-E26 VanDerWaalsContact O-N 3.11Å; D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.33Å; E26-V28 PolarHBondContact O-N 3.4Å; E26-T29 PolarHBondContact O-N 3.24Å; E26-T29 PolarHBondContact O-OG1 3.41Å |
| 27 | R | 84 | Confident | 83.5 | Confident | 127 Ų | 127 | 128.4 Ų | 128.4 | 48% | 0.479 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -67.6 | -17.1 | 178.9 | -64 | -174 | -162.9 | 94.4 | 16.6 | 114.2 | A23 D24 L25 T29 D30 | A23-R27 PolarHBondContact O-NH1 3.02Å; D24-R27 PolarHBondContact O-N 3.39Å; D24-R27 IonicContact OD1-NH1 3.5Å; D24-R27 PolarHBondContact OD1-NH1 3.08Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 2.97Å; R27-T29 PolarHBondContact O-N 2.95Å; R27-D30 PolarHBondContact O-N 2.98Å |
| 28 | V | 86.9 | Confident | 83.6 | Confident | 116 Ų | 116 | 126.7 Ų | 126.7 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -69.1 | -23.9 | 179.1 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | L25 E26 | L25-V28 WeakPolarHBondContact O-CB 3.32Å; L25-V28 PolarHBondContact O-N 3.41Å; E26-V28 PolarHBondContact O-N 3.4Å |
| 29 | T | 88.4 | Confident | 83.6 | Confident | 123 Ų | 123 | 124.9 Ų | 124.9 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -98.5 | -4 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 114 | E26 R27 | E26-T29 PolarHBondContact O-N 3.24Å; E26-T29 PolarHBondContact O-OG1 3.41Å; R27-T29 PolarHBondContact O-N 2.95Å |
| 30 | D | 87.9 | Confident | 83.8 | Confident | 102 Ų | 102 | 123 Ų | 123 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -63.8 | 152.9 | 177.5 | -75.3 | -19.3 | 0 | 0 | 0 | 110.9 | R27 F32 | R27-D30 PolarHBondContact O-N 2.98Å; D30-F32 PolarHBondContact O-N 3.42Å |
| 31 | Y | 89.9 | Confident | 83.9 | Confident | 206 Ų | 206 | 120.8 Ų | 120.8 | 81% | 0.808 | 64% | 0.637 | S | S | * | * | trans | -62 | 125.8 | 174.5 | 177.3 | -94.3 | 0 | 0 | 0 | 110.7 | E33 | Y31-E33 HydrophobicContact CE1-CB 4.38Š| ||
| 32 | F | 88.8 | Confident | 83.8 | Confident | 152 Ų | 152 | 125.2 Ų | 125.2 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | trans | -131.7 | 126.3 | 171.9 | 179.7 | -94.1 | 0 | 0 | 0 | 109.4 | D30 E34 | D30-F32 PolarHBondContact O-N 3.42Å; F32-E34 PolarHBondContact O-N 3.42Å | ||
| 33 | E | 90.3 | Very high | 83.6 | Confident | 145 Ų | 145 | 125 Ų | 125 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 120.2 | 175.5 | -174.6 | 174.3 | -164.5 | 0 | 0 | 110.1 | Y31 K35 | Y31-E33 HydrophobicContact CE1-CB 4.38Å; E33-K35 PolarHBondContact O-N 2.98Å |
| 34 | E | 88.5 | Confident | 83.5 | Confident | 171 Ų | 171 | 128.3 Ų | 128.3 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 134.7 | 177.8 | -65.9 | -168.1 | 150.9 | 0 | 0 | 110.9 | F32 E36 | F32-E34 PolarHBondContact O-N 3.42Å; E34-E36 PolarHBondContact O-N 2.74Å |
| 35 | K | 89.3 | Confident | 83.2 | Confident | 176 Ų | 176 | 129.5 Ų | 129.5 | 77% | 0.765 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123.2 | 176.1 | -72.3 | -175.7 | 179.7 | 175.9 | 0 | 110.2 | E33 L37 | E33-K35 PolarHBondContact O-N 2.98Å; K35-L37 PolarHBondContact O-N 3.49Å |
| 36 | E | 86.3 | Confident | 82.4 | Confident | 194 Ų | 194 | 125.8 Ų | 125.8 | 91% | 0.907 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130.8 | 170.8 | -63.3 | -168 | 161 | 0 | 0 | 110.9 | E34 | E34-E36 PolarHBondContact O-N 2.74Š|
| 37 | L | 81.1 | Confident | 82 | Confident | 143 Ų | 143 | 124.7 Ų | 124.7 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 125.1 | 168.7 | -64.7 | 175.3 | 0 | 0 | 0 | 108.5 | K35 V39 | K35-L37 PolarHBondContact O-N 3.49Å; L37-V39 HydrophobicContact CB-CG1 4.12Å; L37-V39 PolarHBondContact O-N 3.06Å |
| 38 | S | 79.8 | Confident | 81.2 | Confident | 132 Ų | 132 | 122.5 Ų | 122.5 | 92% | 0.923 | 66% | 0.662 | S | S | * | * | trans | -70.8 | 80.2 | 167.1 | 158 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 39 | V | 77.3 | Confident | 80.1 | Confident | 92 Ų | 92 | 122.4 Ų | 122.4 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | trans | -93.4 | 128.8 | 170.3 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | L37 V44 | L37-V39 HydrophobicContact CB-CG1 4.12Å; L37-V39 PolarHBondContact O-N 3.06Å; V39-V44 HydrophobicContact CG2-CG2 4.4Å | ||
| 40 | G | 78.2 | Confident | 78.9 | Confident | 46 Ų | 46 | 121.9 Ų | 121.9 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | trans | -65.9 | 149.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | D42 A43 | G40-D42 PolarHBondContact O-N 2.94Å; G40-A43 PolarHBondContact O-N 3.05Å | ||
| 41 | L | 76.2 | Confident | 77.4 | Confident | 141 Ų | 141 | 118.8 Ų | 118.8 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -51.7 | -29.6 | 177.5 | -177.2 | 62.2 | 0 | 0 | 0 | 112.8 | A43 V44 K45 | L41-A43 VanDerWaalsContact C-N 3.33Å; L41-A43 PolarHBondContact O-N 2.95Å; L41-V44 PolarHBondContact O-N 2.88Å; L41-K45 PolarHBondContact O-N 3.16Å |
| 42 | D | 77.5 | Confident | 76 | Confident | 134 Ų | 134 | 110.5 Ų | 110.5 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.2 | -36.1 | 178.3 | -61.7 | -34.6 | 0 | 0 | 0 | 113.1 | G40 K45 A46 | G40-D42 PolarHBondContact O-N 2.94Å; D42-K45 PolarHBondContact O-N 3.2Å; D42-A46 WeakPolarHBondContact O-CB 3.46Å; D42-A46 PolarHBondContact O-N 2.74Å |
| 43 | A | 75.6 | Confident | 74.8 | Confident | 54 Ų | 54 | 107.8 Ų | 107.8 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.8 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G40 L41 K45 A46 V47 | G40-A43 PolarHBondContact O-N 3.05Å; L41-A43 VanDerWaalsContact C-N 3.33Å; L41-A43 PolarHBondContact O-N 2.95Å; A43-K45 VanDerWaalsContact C-N 3.34Å; A43-A46 PolarHBondContact O-N 3.24Å; A43-V47 PolarHBondContact O-N 2.85Å |
| 44 | V | 77 | Confident | 73.6 | Confident | 86 Ų | 86 | 104.6 Ų | 104.6 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.7 | -43.5 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | V39 L41 V47 S48 | V39-V44 HydrophobicContact CG2-CG2 4.4Å; L41-V44 PolarHBondContact O-N 2.88Å; V44-V47 PolarHBondContact O-N 3.12Å; V44-S48 PolarHBondContact O-N 2.96Å; V44-S48 VanDerWaalsContact O-N 3.09Å |
| 45 | K | 75.4 | Confident | 72.9 | Confident | 127 Ų | 127 | 102.1 Ų | 102.1 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.6 | -40.8 | 176.6 | -171.1 | 179.2 | 176 | -170.7 | 0 | 112.1 | L41 D42 A43 V47 S48 D49 | L41-K45 PolarHBondContact O-N 3.16Å; D42-K45 PolarHBondContact O-N 3.2Å; A43-K45 VanDerWaalsContact C-N 3.34Å; K45-V47 VanDerWaalsContact C-N 3.29Å; K45-V47 PolarHBondContact O-N 3.49Å; K45-S48 CarbonylContact O-C 3.57Å; K45-S48 WeakPolarHBondContact O-CA 3.43Å; K45-S48 WeakPolarHBondContact O-CB 3.31Å; K45-S48 PolarHBondContact O-N 3.46Å; K45-S48 VanDerWaalsContact O-N 3.09Å; K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 3.44Å |
| 46 | A | 70.9 | Confident | 72.2 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -35.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D42 A43 D49 T50 | D42-A46 WeakPolarHBondContact O-CB 3.46Å; D42-A46 PolarHBondContact O-N 2.74Å; A43-A46 PolarHBondContact O-N 3.24Å; A46-D49 PolarHBondContact O-N 3.02Å; A46-T50 WeakPolarHBondContact O-CB 3.34Å; A46-T50 WeakPolarHBondContact O-CG2 3.47Å; A46-T50 PolarHBondContact O-N 3.08Å; A46-T50 PolarHBondContact O-OG1 3.5Å |
| 47 | V | 72.7 | Confident | 71.7 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 61% | 0.612 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.9 | -40.5 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | A43 V44 K45 D49 T50 A51 | A43-V47 PolarHBondContact O-N 2.85Å; V44-V47 PolarHBondContact O-N 3.12Å; K45-V47 VanDerWaalsContact C-N 3.29Å; K45-V47 PolarHBondContact O-N 3.49Å; V47-D49 VanDerWaalsContact C-N 3.29Å; V47-D49 PolarHBondContact O-N 3.03Å; V47-T50 WeakPolarHBondContact CA-OG1 3.38Å; V47-T50 PolarHBondContact O-N 2.95Å; V47-T50 PolarHBondContact O-OG1 3.22Å; V47-A51 PolarHBondContact O-N 2.91Å |
| 48 | S | 67.7 | Low | 71.5 | Confident | 82 Ų | 82 | 91.1 Ų | 91.1 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -32.4 | 175.4 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | V44 K45 | V44-S48 PolarHBondContact O-N 2.96Å; V44-S48 VanDerWaalsContact O-N 3.09Å; K45-S48 CarbonylContact O-C 3.57Å; K45-S48 WeakPolarHBondContact O-CA 3.43Å; K45-S48 WeakPolarHBondContact O-CB 3.31Å; K45-S48 PolarHBondContact O-N 3.46Å; K45-S48 VanDerWaalsContact O-N 3.09Å |
| 49 | D | 63.6 | Low | 71.5 | Confident | 113 Ų | 113 | 90.7 Ų | 90.7 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -84.5 | -26.4 | -179.4 | -69.8 | -20.7 | 0 | 0 | 0 | 112.3 | K45 A46 V47 | K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 3.44Å; A46-D49 PolarHBondContact O-N 3.02Å; V47-D49 VanDerWaalsContact C-N 3.29Å; V47-D49 PolarHBondContact O-N 3.03Å |
| 50 | T | 62.2 | Low | 71.6 | Confident | 113 Ų | 113 | 92.1 Ų | 92.1 | 69% | 0.693 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -86.7 | -21.7 | 176.8 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | A46 V47 G52 | A46-T50 WeakPolarHBondContact O-CB 3.34Å; A46-T50 WeakPolarHBondContact O-CG2 3.47Å; A46-T50 PolarHBondContact O-N 3.08Å; A46-T50 PolarHBondContact O-OG1 3.5Å; V47-T50 WeakPolarHBondContact CA-OG1 3.38Å; V47-T50 PolarHBondContact O-N 2.95Å; V47-T50 PolarHBondContact O-OG1 3.22Å; T50-G52 PolarHBondContact O-N 3.29Å |
| 51 | A | 57.2 | Low | 71.7 | Confident | 36 Ų | 36 | 97 Ų | 97 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -61.8 | 106.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | V47 D53 | V47-A51 PolarHBondContact O-N 2.91Å; A51-D53 PolarHBondContact O-N 3.16Å |
| 52 | G | 59.7 | Low | 71.9 | Confident | 33 Ų | 33 | 95.4 Ų | 95.4 | 34% | 0.34 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T50 A54 D55 K56 | T50-G52 PolarHBondContact O-N 3.29Å; G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 3.44Å; G52-D55 PolarHBondContact O-N 2.95Å; G52-K56 WeakPolarHBondContact O-CB 3.34Å; G52-K56 VanDerWaalsContact O-CG 3.25Å; G52-K56 WeakPolarHBondContact O-CG 2.98Å; G52-K56 PolarHBondContact O-N 3.3Å |
| 53 | D | 63.6 | Low | 72.1 | Confident | 94 Ų | 94 | 90.3 Ų | 90.3 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -31 | 176.9 | -69.9 | -16.5 | 0 | 0 | 0 | 111 | A51 A57 | A51-D53 PolarHBondContact O-N 3.16Å; D53-A57 WeakPolarHBondContact O-CA 3.4Å; D53-A57 WeakPolarHBondContact O-CB 3.49Å; D53-A57 PolarHBondContact O-N 3.37Å |
| 54 | A | 66.6 | Low | 72.4 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -50.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | G52 A57 Q58 | G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 3.44Å; A54-A57 PolarHBondContact O-N 3.03Å; A54-Q58 VanDerWaalsContact O-CB 3.29Å; A54-Q58 WeakPolarHBondContact O-CB 3.31Å; A54-Q58 PolarHBondContact O-N 3.2Å |
| 55 | D | 72.3 | Confident | 72.9 | Confident | 119 Ų | 119 | 98 Ų | 98 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.4 | -42 | 178.9 | -78.3 | -25.1 | 0 | 0 | 0 | 112.2 | G52 Q58 K59 | G52-D55 PolarHBondContact O-N 2.95Å; D55-Q58 PolarHBondContact O-N 3.27Å; D55-K59 WeakPolarHBondContact O-CB 3.45Å; D55-K59 PolarHBondContact O-N 3.21Å |
| 56 | K | 75.3 | Confident | 73.4 | Confident | 129 Ų | 129 | 94.1 Ų | 94.1 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 175.8 | -71.8 | 172.6 | -173.7 | 174.2 | 0 | 111.6 | G52 K59 Q60 | G52-K56 WeakPolarHBondContact O-CB 3.34Å; G52-K56 VanDerWaalsContact O-CG 3.25Å; G52-K56 WeakPolarHBondContact O-CG 2.98Å; G52-K56 PolarHBondContact O-N 3.3Å; K56-K59 PolarHBondContact O-N 3.44Å; K56-Q60 WeakPolarHBondContact O-CB 3.45Å; K56-Q60 VanDerWaalsContact O-CG 3.26Å; K56-Q60 WeakPolarHBondContact O-CG 3.41Å; K56-Q60 PolarHBondContact O-N 3.32Å; K56-Q60 PolarHBondContact O-NE2 3.33Å |
| 57 | A | 76.2 | Confident | 74.2 | Confident | 41 Ų | 41 | 101.3 Ų | 101.3 | 34% | 0.339 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D53 A54 Q60 K61 | D53-A57 WeakPolarHBondContact O-CA 3.4Å; D53-A57 WeakPolarHBondContact O-CB 3.49Å; D53-A57 PolarHBondContact O-N 3.37Å; A54-A57 PolarHBondContact O-N 3.03Å; A57-Q60 PolarHBondContact O-N 3.06Å; A57-K61 WeakPolarHBondContact O-CB 3.33Å; A57-K61 VanDerWaalsContact O-CG 3.31Å; A57-K61 WeakPolarHBondContact O-CG 3.45Å; A57-K61 PolarHBondContact O-N 3.18Å |
| 58 | Q | 77.5 | Confident | 75.1 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.5 | -178.9 | 168.2 | -51.4 | 0 | 0 | 111.5 | A54 D55 Q60 K61 Q62 | A54-Q58 VanDerWaalsContact O-CB 3.29Å; A54-Q58 WeakPolarHBondContact O-CB 3.31Å; A54-Q58 PolarHBondContact O-N 3.2Å; D55-Q58 PolarHBondContact O-N 3.27Å; Q58-Q60 PolarHBondContact O-N 3.04Å; Q58-K61 PolarHBondContact O-N 3.18Å; Q58-Q62 WeakPolarHBondContact O-CG 3.47Å; Q58-Q62 PolarHBondContact O-N 3.44Å |
| 59 | K | 79.1 | Confident | 76.3 | Confident | 122 Ų | 122 | 101 Ų | 101 | 53% | 0.53 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 175.7 | -173.4 | 176.6 | 178.1 | -178 | 0 | 111.3 | D55 K56 K61 Q62 M63 | D55-K59 WeakPolarHBondContact O-CB 3.45Å; D55-K59 PolarHBondContact O-N 3.21Å; K56-K59 PolarHBondContact O-N 3.44Å; K59-K61 PolarHBondContact O-N 2.94Å; K59-Q62 WeakPolarHBondContact O-CB 3.29Å; K59-Q62 PolarHBondContact O-N 3.48Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; K59-M63 HydrophobicContact CG-SD 4.23Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 3.46Å |
| 60 | Q | 78.4 | Confident | 77.7 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 176 | -75.5 | 174.3 | 77.8 | 0 | 0 | 112.2 | K56 A57 Q58 Q62 M63 L64 | K56-Q60 WeakPolarHBondContact O-CB 3.45Å; K56-Q60 VanDerWaalsContact O-CG 3.26Å; K56-Q60 WeakPolarHBondContact O-CG 3.41Å; K56-Q60 PolarHBondContact O-N 3.32Å; K56-Q60 PolarHBondContact O-NE2 3.33Å; A57-Q60 PolarHBondContact O-N 3.06Å; Q58-Q60 PolarHBondContact O-N 3.04Å; Q60-Q62 VanDerWaalsContact C-N 3.26Å; Q60-Q62 PolarHBondContact O-N 2.84Å; Q60-M63 PolarHBondContact O-N 2.97Å; Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 3.46Å |
| 61 | K | 81.8 | Confident | 79.3 | Confident | 148 Ų | 148 | 103.2 Ų | 103.2 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -35.9 | 175.1 | -76.7 | 175.4 | -178.9 | 177.9 | 0 | 112.6 | A57 Q58 K59 | A57-K61 WeakPolarHBondContact O-CB 3.33Å; A57-K61 VanDerWaalsContact O-CG 3.31Å; A57-K61 WeakPolarHBondContact O-CG 3.45Å; A57-K61 PolarHBondContact O-N 3.18Å; Q58-K61 PolarHBondContact O-N 3.18Å; K59-K61 PolarHBondContact O-N 2.94Å |
| 62 | Q | 80.2 | Confident | 81.1 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -44.7 | 174.9 | -68.1 | 176.4 | 31 | 0 | 0 | 111.3 | Q58 K59 Q60 L64 K65 | Q58-Q62 WeakPolarHBondContact O-CG 3.47Å; Q58-Q62 PolarHBondContact O-N 3.44Å; K59-Q62 WeakPolarHBondContact O-CB 3.29Å; K59-Q62 PolarHBondContact O-N 3.48Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; Q60-Q62 VanDerWaalsContact C-N 3.26Å; Q60-Q62 PolarHBondContact O-N 2.84Å; Q62-L64 VanDerWaalsContact C-N 3.25Å; Q62-L64 PolarHBondContact O-N 3.27Å; Q62-K65 WeakPolarHBondContact O-CB 3.25Å; Q62-K65 PolarHBondContact O-N 2.92Å |
| 63 | M | 82 | Confident | 82.8 | Confident | 26 Ų | 26 | 101.3 Ų | 101.3 | 13% | 0.128 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 177.7 | -69.5 | 173 | 68.7 | 0 | 0 | 113.1 | K59 Q60 K65 I66 R89 K92 E93 | K59-M63 HydrophobicContact CG-SD 4.23Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 3.46Å; Q60-M63 PolarHBondContact O-N 2.97Å; M63-K65 PolarHBondContact O-N 3.16Å; M63-I66 WeakPolarHBondContact O-CB 3.39Å; M63-I66 PolarHBondContact O-N 3.02Å; M63-R89 HydrophobicContact CE-CG 4.13Å; M63-K92 HydrophobicContact CB-CB 4.12Å; M63-K92 HydrophobicContact CE-CB 3.88Å; M63-K92 WeakPolarHBondContact O-CD 3.15Å; M63-E93 HydrophobicContact CE-CB 4.43Å; M63-E93 HydrophobicContact CE-CG 3.32Å; M63-E93 HydrophobicContact SD-CG 4.1Å |
| 64 | L | 80.6 | Confident | 84.3 | Confident | 129 Ų | 129 | 99.2 Ų | 99.2 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | 176.7 | -71.2 | 173.3 | 0 | 0 | 0 | 113.9 | Q60 Q62 I66 | Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 3.46Å; Q62-L64 VanDerWaalsContact C-N 3.25Å; Q62-L64 PolarHBondContact O-N 3.27Å; L64-I66 VanDerWaalsContact C-N 3.3Å |
| 65 | K | 87 | Confident | 85.6 | Confident | 174 Ų | 174 | 99 Ų | 99 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.8 | 177.1 | -62.8 | 177.4 | -178.5 | -179.9 | 0 | 112.5 | Q62 M63 K67 | Q62-K65 WeakPolarHBondContact O-CB 3.25Å; Q62-K65 PolarHBondContact O-N 2.92Å; M63-K65 PolarHBondContact O-N 3.16Å; K65-K67 PolarHBondContact O-N 2.83Å |
| 66 | I | 86.4 | Confident | 86.7 | Confident | 45 Ų | 45 | 93.3 Ų | 93.3 | 23% | 0.231 | 45% | 0.448 | C | S | . | . | trans | -80.6 | 117.5 | -176.6 | -60.7 | 171.6 | 0 | 0 | 0 | 108.5 | M63 L64 V68 K92 | M63-I66 WeakPolarHBondContact O-CB 3.39Å; M63-I66 PolarHBondContact O-N 3.02Å; L64-I66 VanDerWaalsContact C-N 3.3Å; I66-V68 HydrophobicContact CG2-CG1 4.39Å; I66-K92 HydrophobicContact CB-CG 4.5Å; I66-K92 WeakPolarHBondContact CD1-O 3.25Å | ||
| 67 | K | 88.8 | Confident | 87.7 | Confident | 200 Ų | 200 | 88.7 Ų | 88.7 | 87% | 0.87 | 43% | 0.432 | S | S | * | . | trans | -81 | 126.9 | 174.5 | -66.3 | -177.7 | 179.4 | 179.4 | 0 | 108.9 | K65 | K65-K67 PolarHBondContact O-N 2.83Š| ||
| 68 | V | 91.3 | Very high | 88.5 | Confident | 39 Ų | 39 | 93.1 Ų | 93.1 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | trans | -114.4 | 144 | 175.3 | -61 | 0 | 0 | 0 | 0 | 108.8 | I66 V73 L91 K92 | I66-V68 HydrophobicContact CG2-CG1 4.39Å; V68-V73 HydrophobicContact CG2-CG2 4.21Å; V68-L91 HydrophobicContact CB-CB 4.25Å; V68-L91 HydrophobicContact CB-CD1 4.41Å; V68-L91 HydrophobicContact CG1-CB 3.68Å; V68-K92 HydrophobicContact CG1-CG 3.89Å | ||
| 69 | K | 93 | Very high | 89.3 | Confident | 138 Ų | 138 | 94 Ų | 94 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | trans | -80.9 | 142.3 | 177.3 | -55.9 | 176.2 | -177.9 | 171.5 | 0 | 109.5 | E71 D72 V73 | K69-E71 VanDerWaalsContact C-N 3.29Å; K69-E71 PolarHBondContact O-N 3.33Å; K69-D72 HydrophobicContact CB-CB 4.36Å; K69-D72 WeakPolarHBondContact CB-OD2 3.38Å; K69-D72 PolarHBondContact O-N 3.38Å; K69-V73 WeakPolarHBondContact O-CG2 3.04Å; K69-V73 PolarHBondContact O-N 2.94Å | ||
| 70 | N | 93.2 | Very high | 90 | Very high | 119 Ų | 119 | 90.9 Ų | 90.9 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67 | -33.4 | 178.1 | -164.2 | -16.4 | 0 | 0 | 0 | 111.6 | D72 V73 S74 | N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.15Å; N70-V73 PolarHBondContact O-N 3.38Å; N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 2.77Å |
| 71 | E | 95.1 | Very high | 90.7 | Very high | 154 Ų | 154 | 93.7 Ų | 93.7 | 72% | 0.72 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -56.5 | -47 | 173.5 | -67.3 | 171.6 | -164.8 | 0 | 0 | 111.6 | K69 V73 S74 L75 | K69-E71 VanDerWaalsContact C-N 3.29Å; K69-E71 PolarHBondContact O-N 3.33Å; E71-V73 VanDerWaalsContact C-N 3.35Å; E71-V73 PolarHBondContact O-N 3.49Å; E71-S74 PolarHBondContact O-N 2.9Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 PolarHBondContact O-N 3.16Å |
| 72 | D | 94.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 88.5 Ų | 88.5 | 13% | 0.134 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178.5 | -58.2 | -17.2 | 0 | 0 | 0 | 111.7 | K69 N70 I76 L91 V98 | K69-D72 HydrophobicContact CB-CB 4.36Å; K69-D72 WeakPolarHBondContact CB-OD2 3.38Å; K69-D72 PolarHBondContact O-N 3.38Å; N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.15Å; D72-I76 WeakPolarHBondContact O-CD1 3.45Å; D72-I76 WeakPolarHBondContact O-CG1 3.44Å; D72-I76 PolarHBondContact O-N 3.34Å; D72-I76 VanDerWaalsContact O-N 3.12Å; D72-L91 HydrophobicContact CB-CD1 4.03Å; D72-L91 HydrophobicContact CB-CD2 4.28Å; D72-V98 HydrophobicContact CB-CG2 3.54Å; D72-V98 WeakPolarHBondContact OD1-CG2 3.28Å; D72-V98 WeakPolarHBondContact OD2-CG2 3.41Å |
| 73 | V | 95.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 86.3 Ų | 86.3 | 2% | 0.024 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | V68 K69 N70 E71 I76 C77 K84 A87 E88 L91 | V68-V73 HydrophobicContact CG2-CG2 4.21Å; K69-V73 WeakPolarHBondContact O-CG2 3.04Å; K69-V73 PolarHBondContact O-N 2.94Å; N70-V73 PolarHBondContact O-N 3.38Å; E71-V73 VanDerWaalsContact C-N 3.35Å; E71-V73 PolarHBondContact O-N 3.49Å; V73-I76 PolarHBondContact O-N 2.98Å; V73-C77 PolarHBondContact O-N 3.19Å; V73-C77 PolarHBondContact O-SG 3.26Å; V73-K84 HydrophobicContact CG1-CG 3.88Å; V73-A87 HydrophobicContact CG1-CB 4.16Å; V73-E88 HydrophobicContact CG1-CG 3.89Å; V73-E88 HydrophobicContact CG2-CG 3.74Å; V73-L91 HydrophobicContact CB-CD1 4.3Å; V73-L91 HydrophobicContact CG2-CD1 3.5Å; V73-L91 VanDerWaalsContact CG2-CD1 3.5Å |
| 74 | S | 94.7 | Very high | 92.5 | Very high | 50 Ų | 50 | 90.8 Ų | 90.8 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | -179.8 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | N70 E71 C77 Q78 | N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 2.77Å; E71-S74 PolarHBondContact O-N 2.9Å; S74-C77 PolarHBondContact O-N 3.35Å; S74-Q78 WeakPolarHBondContact O-CB 3.34Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 3.39Å; S74-Q78 PolarHBondContact O-N 3.38Å |
| 75 | L | 95.5 | Very high | 93.1 | Very high | 72 Ų | 72 | 91.1 Ų | 91.1 | 38% | 0.377 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.6 | -50.9 | 175.9 | -179.8 | 69 | 0 | 0 | 0 | 110.7 | E71 C77 Q78 E79 V98 | E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 PolarHBondContact O-N 3.16Å; L75-C77 VanDerWaalsContact C-N 3.34Å; L75-C77 PolarHBondContact O-N 3.3Å; L75-Q78 PolarHBondContact O-N 2.9Å; L75-E79 HydrophobicContact CD1-CG 3.78Å; L75-E79 HydrophobicContact CG-CG 4.25Å; L75-E79 WeakPolarHBondContact O-CB 3.26Å; L75-E79 VanDerWaalsContact O-CG 3.3Å; L75-E79 WeakPolarHBondContact O-CG 3.42Å; L75-E79 PolarHBondContact O-N 2.83Å; L75-V98 HydrophobicContact CD2-CG1 4.19Å |
| 76 | I | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 180 | -68.8 | 163.6 | 0 | 0 | 0 | 111.6 | D72 V73 Q78 L80 V82 A87 L91 T101 L102 L105 | D72-I76 WeakPolarHBondContact O-CD1 3.45Å; D72-I76 WeakPolarHBondContact O-CG1 3.44Å; D72-I76 PolarHBondContact O-N 3.34Å; D72-I76 VanDerWaalsContact O-N 3.12Å; V73-I76 PolarHBondContact O-N 2.98Å; I76-Q78 VanDerWaalsContact C-N 3.3Å; I76-Q78 PolarHBondContact O-N 3.39Å; I76-L80 HydrophobicContact CG2-CD1 4.37Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 PolarHBondContact O-N 2.77Å; I76-L80 VanDerWaalsContact O-N 3.08Å; I76-V82 HydrophobicContact CG2-CG2 3.62Å; I76-A87 HydrophobicContact CB-CB 4.07Å; I76-A87 HydrophobicContact CG2-CB 3.63Å; I76-L91 HydrophobicContact CD1-CD1 3.74Å; I76-L91 HydrophobicContact CD1-CD2 3.78Å; I76-L91 HydrophobicContact CD1-CG 3.61Å; I76-T101 HydrophobicContact CD1-CG2 3.59Å; I76-L102 HydrophobicContact CG1-CD2 4.01Å; I76-L105 HydrophobicContact CG2-CD1 3.74Å |
| 77 | C | 95.7 | Very high | 93.8 | Very high | 32 Ų | 32 | 83 Ų | 83 | 22% | 0.216 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 178.3 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | V73 S74 L75 E81 | V73-C77 PolarHBondContact O-N 3.19Å; V73-C77 PolarHBondContact O-SG 3.26Å; S74-C77 PolarHBondContact O-N 3.35Å; L75-C77 VanDerWaalsContact C-N 3.34Å; L75-C77 PolarHBondContact O-N 3.3Å; C77-E81 WeakPolarHBondContact O-CA 3.47Å; C77-E81 PolarHBondContact O-N 3.18Å |
| 78 | Q | 94.7 | Very high | 94 | Very high | 135 Ų | 135 | 76 Ų | 76 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -77.6 | -45.7 | -179.8 | -74.2 | 174.6 | -17.8 | 0 | 0 | 112.3 | S74 L75 I76 | S74-Q78 WeakPolarHBondContact O-CB 3.34Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 3.39Å; S74-Q78 PolarHBondContact O-N 3.38Å; L75-Q78 PolarHBondContact O-N 2.9Å; I76-Q78 VanDerWaalsContact C-N 3.3Å; I76-Q78 PolarHBondContact O-N 3.39Å |
| 79 | E | 93.3 | Very high | 94 | Very high | 131 Ų | 131 | 80.9 Ų | 80.9 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -78.7 | -31.6 | -173.2 | -63.4 | -61.2 | 144.8 | 0 | 0 | 113.1 | L75 | L75-E79 HydrophobicContact CD1-CG 3.78Å; L75-E79 HydrophobicContact CG-CG 4.25Å; L75-E79 WeakPolarHBondContact O-CB 3.26Å; L75-E79 VanDerWaalsContact O-CG 3.3Å; L75-E79 WeakPolarHBondContact O-CG 3.42Å; L75-E79 PolarHBondContact O-N 2.83Å |
| 80 | L | 93.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 77.5 Ų | 77.5 | 29% | 0.293 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -112.2 | 1.6 | -176.5 | -61.8 | 178.6 | 0 | 0 | 0 | 113.8 | I76 V82 L102 L105 | I76-L80 HydrophobicContact CG2-CD1 4.37Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 PolarHBondContact O-N 2.77Å; I76-L80 VanDerWaalsContact O-N 3.08Å; L80-V82 HydrophobicContact CB-CG1 4.15Å; L80-V82 HydrophobicContact CB-CG2 4.45Å; L80-V82 PolarHBondContact O-N 2.87Å; L80-L102 HydrophobicContact CD1-CD2 3.75Å; L80-L102 HydrophobicContact CG-CD2 4.32Å; L80-L105 HydrophobicContact CD1-CB 3.58Å; L80-L105 HydrophobicContact CD1-CD1 3.59Å; L80-L105 HydrophobicContact CD1-CG 4.21Å |
| 81 | E | 92.8 | Very high | 94.1 | Very high | 182 Ų | 182 | 71.9 Ų | 71.9 | 85% | 0.85 | 36% | 0.355 | S | S | * | . | trans | 51.7 | 31.3 | -179.1 | -58.2 | -169.6 | 150.8 | 0 | 0 | 114 | C77 | C77-E81 WeakPolarHBondContact O-CA 3.47Å; C77-E81 PolarHBondContact O-N 3.18Å | ||
| 82 | V | 93.6 | Very high | 94 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | trans | -90 | 154.5 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | I76 L80 T86 A87 | I76-V82 HydrophobicContact CG2-CG2 3.62Å; L80-V82 HydrophobicContact CB-CG1 4.15Å; L80-V82 HydrophobicContact CB-CG2 4.45Å; L80-V82 PolarHBondContact O-N 2.87Å; V82-T86 HydrophobicContact CB-CG2 4.39Å; V82-A87 HydrophobicContact CG2-CB 4.11Å | ||
| 83 | S | 95 | Very high | 93.8 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | trans | -61.9 | 149.2 | 174 | 86.6 | 0 | 0 | 0 | 0 | 111.4 | L85 T86 A87 | S83-L85 PolarHBondContact O-N 3.5Å; S83-L85 PolarHBondContact OG-N 3.11Å; S83-T86 WeakPolarHBondContact O-CA 3.39Å; S83-T86 WeakPolarHBondContact O-CB 3.35Å; S83-T86 PolarHBondContact O-N 3.33Å; S83-T86 PolarHBondContact OG-N 3.25Å; S83-T86 VanDerWaalsContact OG-N 3.12Å; S83-T86 PolarHBondContact OG-OG1 3.25Å; S83-A87 PolarHBondContact O-N 3.45Å | ||
| 84 | K | 94.3 | Very high | 93.7 | Very high | 119 Ų | 119 | 70.5 Ų | 70.5 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -53 | -39.4 | 174.1 | -175.2 | 178.5 | 175.4 | -179.9 | 0 | 112.6 | V73 T86 A87 E88 | V73-K84 HydrophobicContact CG1-CG 3.88Å; K84-T86 VanDerWaalsContact C-N 3.34Å; K84-T86 PolarHBondContact O-N 3.22Å; K84-A87 PolarHBondContact O-N 3.36Å; K84-E88 WeakPolarHBondContact CE-OE1 3.46Å; K84-E88 HydrophobicContact CG-CG 4.44Å; K84-E88 IonicContact NZ-OE1 3.9Å; K84-E88 WeakPolarHBondContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CG 2.97Å; K84-E88 PolarHBondContact O-N 3.23Å |
| 85 | L | 93.3 | Very high | 93.5 | Very high | 136 Ų | 136 | 76.1 Ų | 76.1 | 71% | 0.712 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63 | -42 | 177.9 | -175.9 | 68.6 | 0 | 0 | 0 | 111.4 | S83 R89 | S83-L85 PolarHBondContact O-N 3.5Å; S83-L85 PolarHBondContact OG-N 3.11Å; L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.13Å; L85-R89 PolarHBondContact O-N 3.19Å |
| 86 | T | 93 | Very high | 93.2 | Very high | 50 Ų | 50 | 73.6 Ų | 73.6 | 31% | 0.307 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -49.2 | 176.4 | -50.7 | 0 | 0 | 0 | 0 | 110.7 | V82 S83 K84 E88 R89 Y90 | V82-T86 HydrophobicContact CB-CG2 4.39Å; S83-T86 WeakPolarHBondContact O-CA 3.39Å; S83-T86 WeakPolarHBondContact O-CB 3.35Å; S83-T86 PolarHBondContact O-N 3.33Å; S83-T86 PolarHBondContact OG-N 3.25Å; S83-T86 VanDerWaalsContact OG-N 3.12Å; S83-T86 PolarHBondContact OG-OG1 3.25Å; K84-T86 VanDerWaalsContact C-N 3.34Å; K84-T86 PolarHBondContact O-N 3.22Å; T86-E88 PolarHBondContact O-N 2.96Å; T86-R89 PolarHBondContact O-N 3.27Å; T86-Y90 HydrophobicContact CG2-CD2 3.93Å; T86-Y90 HydrophobicContact CG2-CE2 3.91Å; T86-Y90 WeakPolarHBondContact O-CD2 3.29Å; T86-Y90 PolarHBondContact O-N 3.47Å |
| 87 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V73 I76 V82 S83 K84 R89 Y90 L91 | V73-A87 HydrophobicContact CG1-CB 4.16Å; I76-A87 HydrophobicContact CB-CB 4.07Å; I76-A87 HydrophobicContact CG2-CB 3.63Å; V82-A87 HydrophobicContact CG2-CB 4.11Å; S83-A87 PolarHBondContact O-N 3.45Å; K84-A87 PolarHBondContact O-N 3.36Å; A87-R89 VanDerWaalsContact C-N 3.32Å; A87-R89 PolarHBondContact O-N 3.5Å; A87-Y90 PolarHBondContact O-N 2.99Å; A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.45Å; A87-L91 PolarHBondContact O-N 2.64Å |
| 88 | E | 93 | Very high | 93 | Very high | 53 Ų | 53 | 76.5 Ų | 76.5 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 177.7 | -75.6 | -175.1 | -176.9 | 0 | 0 | 112.6 | V73 K84 T86 K92 | V73-E88 HydrophobicContact CG1-CG 3.89Å; V73-E88 HydrophobicContact CG2-CG 3.74Å; K84-E88 WeakPolarHBondContact CE-OE1 3.46Å; K84-E88 HydrophobicContact CG-CG 4.44Å; K84-E88 IonicContact NZ-OE1 3.9Å; K84-E88 WeakPolarHBondContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CG 2.97Å; K84-E88 PolarHBondContact O-N 3.23Å; T86-E88 PolarHBondContact O-N 2.96Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.41Å; E88-K92 PolarHBondContact O-N 3.01Å |
| 89 | R | 92.6 | Very high | 92.9 | Very high | 141 Ų | 141 | 77.3 Ų | 77.3 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -51.9 | 178 | 179.4 | -178.5 | 165.5 | -155.8 | -11.3 | 110.6 | M63 L85 T86 A87 K92 E93 | M63-R89 HydrophobicContact CE-CG 4.13Å; L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.13Å; L85-R89 PolarHBondContact O-N 3.19Å; T86-R89 PolarHBondContact O-N 3.27Å; A87-R89 VanDerWaalsContact C-N 3.32Å; A87-R89 PolarHBondContact O-N 3.5Å; R89-K92 PolarHBondContact O-N 3.38Å; R89-K92 VanDerWaalsContact O-N 3.16Å; R89-E93 IonicContact CZ-OE1 3.38Å; R89-E93 IonicContact NE-OE1 2.84Å; R89-E93 PolarHBondContact NE-OE1 3.32Å; R89-E93 IonicContact NH2-OE1 3.04Å; R89-E93 PolarHBondContact NH2-OE1 3.5Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.28Å |
| 90 | Y | 93.5 | Very high | 93 | Very high | 67 Ų | 67 | 75.7 Ų | 75.7 | 26% | 0.263 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | -179.8 | -86.9 | -101.6 | 0 | 0 | 0 | 111.9 | T86 A87 K92 E93 H94 A104 L105 | T86-Y90 HydrophobicContact CG2-CD2 3.93Å; T86-Y90 HydrophobicContact CG2-CE2 3.91Å; T86-Y90 WeakPolarHBondContact O-CD2 3.29Å; T86-Y90 PolarHBondContact O-N 3.47Å; A87-Y90 PolarHBondContact O-N 2.99Å; Y90-K92 VanDerWaalsContact C-N 3.26Å; Y90-K92 PolarHBondContact O-N 3.09Å; Y90-E93 PolarHBondContact O-N 3.19Å; Y90-E93 VanDerWaalsContact O-N 3.08Å; Y90-H94 PolarHBondContact O-CD2 3.2Å; Y90-H94 VanDerWaalsContact O-CD2 3.29Å; Y90-H94 PolarHBondContact O-N 3.09Å; Y90-A104 HydrophobicContact CD1-CB 4.44Å; Y90-L105 HydrophobicContact CD1-CD2 3.76Å; Y90-L105 HydrophobicContact CD1-CG 3.92Å; Y90-L105 HydrophobicContact CD2-CD2 3.84Å; Y90-L105 HydrophobicContact CE1-CD2 3.69Å; Y90-L105 HydrophobicContact CE1-CG 4.18Å; Y90-L105 HydrophobicContact CE2-CD2 3.78Å; Y90-L105 HydrophobicContact CG-CD2 3.82Å; Y90-L105 HydrophobicContact CG-CG 4.16Å |
| 91 | L | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.5 | -41 | 173.8 | -80 | 168.8 | 0 | 0 | 0 | 111.7 | V68 D72 V73 I76 A87 H94 Q95 G96 V98 T101 | V68-L91 HydrophobicContact CB-CB 4.25Å; V68-L91 HydrophobicContact CB-CD1 4.41Å; V68-L91 HydrophobicContact CG1-CB 3.68Å; D72-L91 HydrophobicContact CB-CD1 4.03Å; D72-L91 HydrophobicContact CB-CD2 4.28Å; V73-L91 HydrophobicContact CB-CD1 4.3Å; V73-L91 HydrophobicContact CG2-CD1 3.5Å; V73-L91 VanDerWaalsContact CG2-CD1 3.5Å; I76-L91 HydrophobicContact CD1-CD1 3.74Å; I76-L91 HydrophobicContact CD1-CD2 3.78Å; I76-L91 HydrophobicContact CD1-CG 3.61Å; A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.45Å; A87-L91 PolarHBondContact O-N 2.64Å; L91-H94 CarbonylContact O-C 3.44Å; L91-H94 PolarHBondContact O-N 3.44Å; L91-Q95 PolarHBondContact O-N 3.35Å; L91-G96 WeakPolarHBondContact O-CA 3.38Å; L91-G96 PolarHBondContact O-N 3.44Å; L91-V98 HydrophobicContact CD2-CG2 4.32Å; L91-T101 HydrophobicContact CD2-CG2 4.32Å; L91-T101 HydrophobicContact CG-CG2 4.27Å |
| 92 | K | 93.1 | Very high | 93 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.3 | -37 | 175.4 | -72.2 | 172.2 | -176.4 | 172.6 | 0 | 112.5 | M63 I66 V68 E88 R89 Y90 H94 Q95 | M63-K92 HydrophobicContact CB-CB 4.12Å; M63-K92 HydrophobicContact CE-CB 3.88Å; M63-K92 WeakPolarHBondContact O-CD 3.15Å; I66-K92 HydrophobicContact CB-CG 4.5Å; I66-K92 WeakPolarHBondContact CD1-O 3.25Å; V68-K92 HydrophobicContact CG1-CG 3.89Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.41Å; E88-K92 PolarHBondContact O-N 3.01Å; R89-K92 PolarHBondContact O-N 3.38Å; R89-K92 VanDerWaalsContact O-N 3.16Å; Y90-K92 VanDerWaalsContact C-N 3.26Å; Y90-K92 PolarHBondContact O-N 3.09Å; K92-H94 VanDerWaalsContact C-N 3.27Å; K92-H94 PolarHBondContact O-N 3.41Å; K92-Q95 PolarHBondContact O-N 2.96Å |
| 93 | E | 91.3 | Very high | 93 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 175.1 | -68 | -176.1 | -171.4 | 0 | 0 | 111.6 | M63 R89 Y90 | M63-E93 HydrophobicContact CE-CB 4.43Å; M63-E93 HydrophobicContact CE-CG 3.32Å; M63-E93 HydrophobicContact SD-CG 4.1Å; R89-E93 IonicContact CZ-OE1 3.38Å; R89-E93 IonicContact NE-OE1 2.84Å; R89-E93 PolarHBondContact NE-OE1 3.32Å; R89-E93 IonicContact NH2-OE1 3.04Å; R89-E93 PolarHBondContact NH2-OE1 3.5Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.28Å; Y90-E93 PolarHBondContact O-N 3.19Å; Y90-E93 VanDerWaalsContact O-N 3.08Å |
| 94 | H | 92.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 25.9 | 179.9 | -68.7 | -80.4 | 0 | 0 | 0 | 114.3 | Y90 L91 K92 G96 N97 E100 A104 | Y90-H94 PolarHBondContact O-CD2 3.2Å; Y90-H94 VanDerWaalsContact O-CD2 3.29Å; Y90-H94 PolarHBondContact O-N 3.09Å; L91-H94 CarbonylContact O-C 3.44Å; L91-H94 PolarHBondContact O-N 3.44Å; K92-H94 VanDerWaalsContact C-N 3.27Å; K92-H94 PolarHBondContact O-N 3.41Å; H94-G96 PolarHBondContact O-N 2.85Å; H94-N97 VanDerWaalsContact O-CB 3.31Å; H94-N97 WeakPolarHBondContact O-CB 3.43Å; H94-N97 PolarHBondContact O-N 2.78Å; H94-E100 HydrophobicContact CB-CB 4.28Å; H94-E100 IonicContact ND1-OE2 3.57Å; H94-A104 WeakPolarHBondContact NE2-CB 3.48Å |
| 95 | Q | 89 | Confident | 92.8 | Very high | 168 Ų | 168 | 61.9 Ų | 61.9 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26 | 174.2 | -53 | -177.9 | 12.6 | 0 | 0 | 115.2 | L91 K92 | L91-Q95 PolarHBondContact O-N 3.35Å; K92-Q95 PolarHBondContact O-N 2.96Å |
| 96 | G | 89.6 | Confident | 92.6 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 10.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L91 H94 V98 | L91-G96 WeakPolarHBondContact O-CA 3.38Å; L91-G96 PolarHBondContact O-N 3.44Å; H94-G96 PolarHBondContact O-N 2.85Å; G96-V98 PolarHBondContact O-N 3.37Å |
| 97 | N | 93.4 | Very high | 92 | Very high | 63 Ų | 63 | 68 Ų | 68 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | trans | -80.3 | 108.6 | 176.1 | -172.2 | -24.4 | 0 | 0 | 0 | 110.9 | H94 F99 E100 T101 | H94-N97 VanDerWaalsContact O-CB 3.31Å; H94-N97 WeakPolarHBondContact O-CB 3.43Å; H94-N97 PolarHBondContact O-N 2.78Å; N97-F99 PolarHBondContact O-N 2.92Å; N97-F99 PolarHBondContact OD1-N 3.48Å; N97-E100 HydrophobicContact CB-CB 4.17Å; N97-E100 HydrophobicContact CB-CG 4.38Å; N97-E100 PolarHBondContact ND2-OE1 3.43Å; N97-E100 VanDerWaalsContact ND2-OE1 3.16Å; N97-E100 PolarHBondContact OD1-N 3.27Å; N97-T101 WeakPolarHBondContact O-CB 3.43Å; N97-T101 PolarHBondContact O-N 3Å; N97-T101 PolarHBondContact O-OG1 3.34Å | ||
| 98 | V | 93.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 71.5 Ų | 71.5 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | D72 L75 L91 G96 T101 L102 | D72-V98 HydrophobicContact CB-CG2 3.54Å; D72-V98 WeakPolarHBondContact OD1-CG2 3.28Å; D72-V98 WeakPolarHBondContact OD2-CG2 3.41Å; L75-V98 HydrophobicContact CD2-CG1 4.19Å; L91-V98 HydrophobicContact CD2-CG2 4.32Å; G96-V98 PolarHBondContact O-N 3.37Å; V98-T101 PolarHBondContact O-N 3.23Å; V98-L102 HydrophobicContact CG1-CD1 3.9Å; V98-L102 HydrophobicContact CG1-CG 4.23Å; V98-L102 VanDerWaalsContact O-CG 3.31Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 3.42Å |
| 99 | F | 93.4 | Very high | 91.8 | Very high | 151 Ų | 151 | 72.4 Ų | 72.4 | 66% | 0.662 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.5 | -48.9 | -177 | 178 | -97 | 0 | 0 | 0 | 111.3 | N97 T101 L102 V103 | N97-F99 PolarHBondContact O-N 2.92Å; N97-F99 PolarHBondContact OD1-N 3.48Å; F99-T101 VanDerWaalsContact C-N 3.28Å; F99-T101 PolarHBondContact O-N 2.96Å; F99-L102 PolarHBondContact O-N 2.94Å; F99-V103 HydrophobicContact CD1-CG2 4.33Å; F99-V103 HydrophobicContact CE1-CG2 3.96Å; F99-V103 HydrophobicContact CE2-CG2 4.3Å; F99-V103 HydrophobicContact CZ-CG2 3.94Å; F99-V103 VanDerWaalsContact O-CG2 3.31Å; F99-V103 WeakPolarHBondContact O-CG2 3.48Å; F99-V103 PolarHBondContact O-N 3.43Å |
| 100 | E | 93.8 | Very high | 91.7 | Very high | 97 Ų | 97 | 68.6 Ų | 68.6 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.5 | -73.7 | -179.7 | -155.3 | 0 | 0 | 112 | H94 N97 V103 A104 | H94-E100 HydrophobicContact CB-CB 4.28Å; H94-E100 IonicContact ND1-OE2 3.57Å; N97-E100 HydrophobicContact CB-CB 4.17Å; N97-E100 HydrophobicContact CB-CG 4.38Å; N97-E100 PolarHBondContact ND2-OE1 3.43Å; N97-E100 VanDerWaalsContact ND2-OE1 3.16Å; N97-E100 PolarHBondContact OD1-N 3.27Å; E100-V103 PolarHBondContact O-N 3.48Å; E100-A104 VanDerWaalsContact O-CB 3.29Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.4Å |
| 101 | T | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 177 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | I76 L91 N97 V98 F99 A104 L105 | I76-T101 HydrophobicContact CD1-CG2 3.59Å; L91-T101 HydrophobicContact CD2-CG2 4.32Å; L91-T101 HydrophobicContact CG-CG2 4.27Å; N97-T101 WeakPolarHBondContact O-CB 3.43Å; N97-T101 PolarHBondContact O-N 3Å; N97-T101 PolarHBondContact O-OG1 3.34Å; V98-T101 PolarHBondContact O-N 3.23Å; F99-T101 VanDerWaalsContact C-N 3.28Å; F99-T101 PolarHBondContact O-N 2.96Å; T101-A104 PolarHBondContact O-N 2.86Å; T101-L105 HydrophobicContact CG2-CD1 3.86Å; T101-L105 WeakPolarHBondContact O-CG 3.21Å; T101-L105 PolarHBondContact O-N 3.41Å |
| 102 | L | 93.9 | Very high | 91.5 | Very high | 50 Ų | 50 | 73 Ų | 73 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.4 | -71.1 | 173 | 0 | 0 | 0 | 111.3 | I76 L80 V98 F99 A104 L105 C106 | I76-L102 HydrophobicContact CG1-CD2 4.01Å; L80-L102 HydrophobicContact CD1-CD2 3.75Å; L80-L102 HydrophobicContact CG-CD2 4.32Å; V98-L102 HydrophobicContact CG1-CD1 3.9Å; V98-L102 HydrophobicContact CG1-CG 4.23Å; V98-L102 VanDerWaalsContact O-CG 3.31Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 3.42Å; F99-L102 PolarHBondContact O-N 2.94Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.46Å; L102-L105 PolarHBondContact O-N 3.25Å; L102-C106 WeakPolarHBondContact O-CB 3.36Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 3.02Å |
| 103 | V | 94 | Very high | 91.4 | Very high | 58 Ų | 58 | 75.1 Ų | 75.1 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | F99 E100 K107 | F99-V103 HydrophobicContact CD1-CG2 4.33Å; F99-V103 HydrophobicContact CE1-CG2 3.96Å; F99-V103 HydrophobicContact CE2-CG2 4.3Å; F99-V103 HydrophobicContact CZ-CG2 3.94Å; F99-V103 VanDerWaalsContact O-CG2 3.31Å; F99-V103 WeakPolarHBondContact O-CG2 3.48Å; F99-V103 PolarHBondContact O-N 3.43Å; E100-V103 PolarHBondContact O-N 3.48Å; V103-K107 WeakPolarHBondContact O-CG 3.42Å |
| 104 | A | 92.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 75.8 Ų | 75.8 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -72.9 | -33.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y90 H94 E100 T101 L102 | Y90-A104 HydrophobicContact CD1-CB 4.44Å; H94-A104 WeakPolarHBondContact NE2-CB 3.48Å; E100-A104 VanDerWaalsContact O-CB 3.29Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.4Å; T101-A104 PolarHBondContact O-N 2.86Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.46Å |
| 105 | L | 90.6 | Very high | 91.3 | Very high | 37 Ų | 37 | 77.9 Ų | 77.9 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -79.8 | -25.3 | 178.3 | -73.9 | 168.4 | 0 | 0 | 0 | 113.4 | I76 L80 Y90 T101 L102 K107 | I76-L105 HydrophobicContact CG2-CD1 3.74Å; L80-L105 HydrophobicContact CD1-CB 3.58Å; L80-L105 HydrophobicContact CD1-CD1 3.59Å; L80-L105 HydrophobicContact CD1-CG 4.21Å; Y90-L105 HydrophobicContact CD1-CD2 3.76Å; Y90-L105 HydrophobicContact CD1-CG 3.92Å; Y90-L105 HydrophobicContact CD2-CD2 3.84Å; Y90-L105 HydrophobicContact CE1-CD2 3.69Å; Y90-L105 HydrophobicContact CE1-CG 4.18Å; Y90-L105 HydrophobicContact CE2-CD2 3.78Å; Y90-L105 HydrophobicContact CG-CD2 3.82Å; Y90-L105 HydrophobicContact CG-CG 4.16Å; T101-L105 HydrophobicContact CG2-CD1 3.86Å; T101-L105 WeakPolarHBondContact O-CG 3.21Å; T101-L105 PolarHBondContact O-N 3.41Å; L102-L105 PolarHBondContact O-N 3.25Å; L105-K107 VanDerWaalsContact C-N 3.32Å |
| 106 | C | 88.8 | Confident | 91.5 | Very high | 94 Ų | 94 | 70.4 Ų | 70.4 | 64% | 0.635 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.8 | 176.4 | -66.7 | 0 | 0 | 0 | 0 | 114.1 | L102 | L102-C106 WeakPolarHBondContact O-CB 3.36Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 3.02Å |
| 107 | K | 80.3 | Confident | 91.6 | Very high | 221 Ų | 221 | 75.1 Ų | 75.1 | 96% | 0.961 | 39% | 0.386 | S | S | * | . | trans | -96.7 | 0 | 175.5 | -79.3 | 175.6 | -178.7 | -179.7 | 0 | 110.9 | V103 L105 | V103-K107 WeakPolarHBondContact O-CG 3.42Å; L105-K107 VanDerWaalsContact C-N 3.32Å |
Retrieved 107 of 107 residues in 20.3 ms
(Link to these results)