| 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 | 36.5 | Very low | 52.9 | Low | 233 Ų | 233 | 137.2 Ų | 137.2 | 100% | 1.148 | 72% | 0.719 | S | S | * | * | 0 | 109.7 | 0 | -51.4 | -57.3 | -169.5 | 0 | 0 | 106.5 | |||||
| 2 | S | 48.1 | Very low | 53.3 | Low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | cis | -155 | 122.5 | 14.1 | -69.2 | 0 | 0 | 0 | 0 | 107.8 | K4 | S2-K4 PolarHBondContact O-N 3.09Š| ||
| 3 | E | 49.5 | Very low | 53.4 | Low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | trans | -80.7 | 110.4 | 162.9 | -171.2 | 142.2 | 84.7 | 0 | 0 | 107 | K5 | E3-K5 HydrophobicContact CG-CG 4.39Š| ||
| 4 | K | 49.6 | Very low | 53.5 | Low | 178 Ų | 178 | 132.6 Ų | 132.6 | 77% | 0.774 | 69% | 0.69 | S | S | * | * | trans | -95.1 | 94.9 | 165.8 | -81.9 | -169.4 | 171.2 | 82.2 | 0 | 106.6 | S2 Q6 | S2-K4 PolarHBondContact O-N 3.09Å; K4-Q6 PolarHBondContact O-N 2.97Å | ||
| 5 | K | 57 | Low | 53.6 | Low | 180 Ų | 180 | 133.3 Ų | 133.3 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -60.9 | 103.3 | 162.3 | -76.1 | 178.8 | 177.5 | 178.7 | 0 | 107.2 | E3 | E3-K5 HydrophobicContact CG-CG 4.39Š| ||
| 6 | Q | 60.8 | Low | 53.7 | Low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -58.1 | 134.2 | 161.8 | -68.4 | -93.4 | -51.6 | 0 | 0 | 106.6 | K4 V8 | K4-Q6 PolarHBondContact O-N 2.97Å; Q6-V8 PolarHBondContact O-N 3.17Å | ||
| 7 | P | 54.6 | Low | 54 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | trans | -62.3 | 106.3 | 168.8 | 26.9 | -30.4 | 0 | 0 | 0 | 106.4 | D9 | P7-D9 PolarHBondContact O-N 2.94Š| ||
| 8 | V | 57.7 | Low | 54.7 | Low | 99 Ų | 99 | 134.1 Ų | 134.1 | 60% | 0.6 | 69% | 0.69 | S | S | * | * | trans | -62.1 | 127.8 | 170.7 | -177.7 | 0 | 0 | 0 | 0 | 105.8 | Q6 L10 L13 | Q6-V8 PolarHBondContact O-N 3.17Å; V8-L10 PolarHBondContact O-N 3.26Å; V8-L13 HydrophobicContact CG1-CD1 3.83Å; V8-L13 HydrophobicContact CG1-CG 4.41Å | ||
| 9 | D | 55.1 | Low | 54.9 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | trans | -63.9 | 100.3 | -177.5 | -165.8 | 16.6 | 0 | 0 | 0 | 108.7 | P7 G11 L12 | P7-D9 PolarHBondContact O-N 2.94Å; D9-G11 PolarHBondContact O-N 3.45Å; D9-G11 VanDerWaalsContact O-N 3.15Å; D9-L12 PolarHBondContact O-N 3.32Å; D9-L12 VanDerWaalsContact O-N 3.11Å | ||
| 10 | L | 56.1 | Low | 55.2 | Low | 110 Ų | 110 | 136.8 Ų | 136.8 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -18.9 | -169.1 | -65.7 | 171.5 | 0 | 0 | 0 | 112.7 | V8 L12 L13 E14 | V8-L10 PolarHBondContact O-N 3.26Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 3.01Å; L10-E14 WeakPolarHBondContact O-CG 3.28Å; L10-E14 PolarHBondContact O-N 3.29Å |
| 11 | G | 56.6 | Low | 55.8 | Low | 32 Ų | 32 | 138.8 Ų | 138.8 | 33% | 0.33 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -65.5 | -29.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D9 L13 E15 | D9-G11 PolarHBondContact O-N 3.45Å; D9-G11 VanDerWaalsContact O-N 3.15Å; G11-L13 VanDerWaalsContact C-N 3.32Å; G11-E15 VanDerWaalsContact O-CG 3.28Å; G11-E15 WeakPolarHBondContact O-CG 3.32Å; G11-E15 PolarHBondContact O-N 3.42Å |
| 12 | L | 58 | Low | 56.7 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.6 | -12.1 | 179.4 | -127.5 | 162.5 | 0 | 0 | 0 | 113 | D9 L10 | D9-L12 PolarHBondContact O-N 3.32Å; D9-L12 VanDerWaalsContact O-N 3.11Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.43Å |
| 13 | L | 54.2 | Low | 57.5 | Low | 92 Ų | 92 | 134.8 Ų | 134.8 | 48% | 0.482 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -100.4 | -31.8 | 174.9 | -65.1 | 176.7 | 0 | 0 | 0 | 111.7 | V8 L10 G11 E15 D16 | V8-L13 HydrophobicContact CG1-CD1 3.83Å; V8-L13 HydrophobicContact CG1-CG 4.41Å; L10-L13 PolarHBondContact O-N 3.01Å; G11-L13 VanDerWaalsContact C-N 3.32Å; L13-E15 VanDerWaalsContact C-N 3.31Å; L13-D16 PolarHBondContact O-N 3.15Å |
| 14 | E | 55.1 | Low | 58 | Low | 131 Ų | 131 | 131.3 Ų | 131.3 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.5 | -32.3 | 172.2 | -72.5 | 171.2 | -161.5 | 0 | 0 | 111.6 | L10 D16 E18 | L10-E14 WeakPolarHBondContact O-CG 3.28Å; L10-E14 PolarHBondContact O-N 3.29Å; E14-D16 VanDerWaalsContact C-N 3.3Å; E14-D16 PolarHBondContact O-N 3.11Å; E14-E18 PolarHBondContact O-N 3.19Å |
| 15 | E | 54.8 | Low | 58.5 | Low | 142 Ų | 142 | 129.2 Ų | 129.2 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.7 | -19.4 | 173.7 | -73.3 | 172.1 | -165.6 | 0 | 0 | 114.1 | G11 L13 | G11-E15 VanDerWaalsContact O-CG 3.28Å; G11-E15 WeakPolarHBondContact O-CG 3.32Å; G11-E15 PolarHBondContact O-N 3.42Å; L13-E15 VanDerWaalsContact C-N 3.31Å |
| 16 | D | 55 | Low | 58.5 | Low | 115 Ų | 115 | 128 Ų | 128 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.4 | -29.3 | 178.4 | -156.6 | 31.9 | 0 | 0 | 0 | 111.6 | L13 E14 | L13-D16 PolarHBondContact O-N 3.15Å; E14-D16 VanDerWaalsContact C-N 3.3Å; E14-D16 PolarHBondContact O-N 3.11Å |
| 17 | D | 60.1 | Low | 58.4 | Low | 131 Ų | 131 | 129.5 Ų | 129.5 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.3 | -26.8 | 173.1 | -83.1 | -21.8 | 0 | 0 | 0 | 112.3 | F19 E20 | D17-F19 VanDerWaalsContact C-N 3.28Å; D17-F19 PolarHBondContact O-N 2.97Å; D17-E20 PolarHBondContact O-N 2.97Å |
| 18 | E | 66.1 | Low | 58.6 | Low | 169 Ų | 169 | 127.9 Ų | 127.9 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -7.8 | -180 | -161.2 | 151 | -177.2 | 0 | 0 | 113.1 | E14 | E14-E18 PolarHBondContact O-N 3.19Š|
| 19 | F | 58.9 | Low | 58.5 | Low | 150 Ų | 150 | 126.1 Ų | 126.1 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -6.9 | 173.6 | -147.1 | -98.6 | 0 | 0 | 0 | 113.2 | D17 F22 | D17-F19 VanDerWaalsContact C-N 3.28Å; D17-F19 PolarHBondContact O-N 2.97Å; F19-F22 HydrophobicContact CD1-CE2 4.12Å; F19-F22 HydrophobicContact CD2-CE2 4.39Å; F19-F22 HydrophobicContact CE1-CE2 4.11Å; F19-F22 HydrophobicContact CE2-CE2 4.39Å; F19-F22 HydrophobicContact CE2-CZ 4.42Å; F19-F22 HydrophobicContact CG-CE2 4.27Å; F19-F22 HydrophobicContact CZ-CE2 4.25Å; F19-F22 HydrophobicContact CZ-CZ 4.43Å; F19-F22 VanDerWaalsContact O-CD2 3.3Å; F19-F22 WeakPolarHBondContact O-CD2 3.35Å; F19-F22 WeakPolarHBondContact O-CE2 3.3Å |
| 20 | E | 61.4 | Low | 58.6 | Low | 171 Ų | 171 | 127.5 Ų | 127.5 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -96.3 | -8.6 | 179.1 | -69.2 | -157.2 | 178.8 | 0 | 0 | 114.7 | D17 F22 | D17-E20 PolarHBondContact O-N 2.97Å; E20-F22 PolarHBondContact O-N 3.36Å |
| 21 | E | 66.3 | Low | 58.6 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 67% | 0.671 | S | S | * | * | trans | -97.8 | 49.4 | 176.8 | -155.6 | 174.2 | -159.5 | 0 | 0 | 112.4 | ||||
| 22 | F | 55 | Low | 58.5 | Low | 141 Ų | 141 | 132.7 Ų | 132.7 | 62% | 0.618 | 69% | 0.691 | S | S | * | * | trans | -72.6 | 133.4 | 160.8 | -75.9 | -81.1 | 0 | 0 | 0 | 108.6 | F19 E20 A24 | F19-F22 HydrophobicContact CD1-CE2 4.12Å; F19-F22 HydrophobicContact CD2-CE2 4.39Å; F19-F22 HydrophobicContact CE1-CE2 4.11Å; F19-F22 HydrophobicContact CE2-CE2 4.39Å; F19-F22 HydrophobicContact CE2-CZ 4.42Å; F19-F22 HydrophobicContact CG-CE2 4.27Å; F19-F22 HydrophobicContact CZ-CE2 4.25Å; F19-F22 HydrophobicContact CZ-CZ 4.43Å; F19-F22 VanDerWaalsContact O-CD2 3.3Å; F19-F22 WeakPolarHBondContact O-CD2 3.35Å; F19-F22 WeakPolarHBondContact O-CE2 3.3Å; E20-F22 PolarHBondContact O-N 3.36Å; F22-A24 PolarHBondContact O-N 2.94Å | ||
| 23 | P | 65.6 | Low | 58.4 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | trans | -53.5 | 132.4 | 166.3 | 24.4 | -31.7 | 0 | 0 | 0 | 107.3 | E25 | P23-E25 PolarHBondContact O-N 3.12Š| ||
| 24 | A | 61 | Low | 58.5 | Low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -60.6 | 97.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | F22 D26 | F22-A24 PolarHBondContact O-N 2.94Å; A24-D26 PolarHBondContact O-N 3.02Å; A24-D26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | E | 58.7 | Low | 58.4 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | trans | -57.9 | 117.8 | 168.3 | -167 | 110 | -139.7 | 0 | 0 | 105.1 | P23 W27 | P23-E25 PolarHBondContact O-N 3.12Å; E25-W27 HydrophobicContact CB-CZ2 4.45Å; E25-W27 HydrophobicContact CG-CD2 4.27Å; E25-W27 HydrophobicContact CG-CZ2 4.06Å; E25-W27 PolarHBondContact O-N 3.38Å | ||
| 26 | D | 58.3 | Low | 58.5 | Low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -72.7 | 77.5 | -179 | -140.9 | 1 | 0 | 0 | 0 | 106.1 | A24 A28 | A24-D26 PolarHBondContact O-N 3.02Å; A24-D26 VanDerWaalsContact O-N 3.12Å; D26-A28 PolarHBondContact O-N 3.22Å | ||
| 27 | W | 59 | Low | 58.6 | Low | 192 Ų | 192 | 128.9 Ų | 128.9 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -65.4 | 21.9 | 176.8 | -68.2 | 105.2 | 0 | 0 | 0 | 112.5 | E25 G29 | E25-W27 HydrophobicContact CB-CZ2 4.45Å; E25-W27 HydrophobicContact CG-CD2 4.27Å; E25-W27 HydrophobicContact CG-CZ2 4.06Å; E25-W27 PolarHBondContact O-N 3.38Å; W27-G29 PolarHBondContact O-N 3.5Å | ||
| 28 | A | 57.6 | Low | 58.6 | Low | 88 Ų | 88 | 126.4 Ų | 126.4 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -69.7 | 77.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D26 | D26-A28 PolarHBondContact O-N 3.22Š| ||
| 29 | G | 55.8 | Low | 58.5 | Low | 61 Ų | 61 | 128.1 Ų | 128.1 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 96.1 | 37.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117 | W27 | W27-G29 PolarHBondContact O-N 3.5Š|
| 30 | L | 56.3 | Low | 58.3 | Low | 152 Ų | 152 | 128.1 Ų | 128.1 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -104.7 | 96.3 | 156.5 | -91.3 | 165.6 | 0 | 0 | 0 | 108.8 | ||
| 31 | D | 56.5 | Low | 58.4 | Low | 91 Ų | 91 | 125 Ų | 125 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | trans | 49 | 63.6 | 159.8 | -61.2 | -31.1 | 0 | 0 | 0 | 116.8 | D33 E34 | D31-D33 PolarHBondContact O-N 3.3Å; D31-E34 HydrophobicContact CB-CB 3.96Å; D31-E34 PolarHBondContact O-N 3.47Å; D31-E34 VanDerWaalsContact O-N 3.08Å | ||
| 32 | E | 54.9 | Low | 58 | Low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -56.1 | -18.4 | 164.2 | -69.1 | -179.7 | 174.7 | 0 | 0 | 112.7 | ||
| 33 | D | 55.6 | Low | 58.8 | Low | 123 Ų | 123 | 127 Ų | 127 | 66% | 0.658 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.1 | -28.3 | 178.1 | -59.5 | -40 | 0 | 0 | 0 | 112.8 | D31 H37 | D31-D33 PolarHBondContact O-N 3.3Å; D33-H37 PolarHBondContact O-CD2 3.48Å |
| 34 | E | 55.9 | Low | 58.6 | Low | 135 Ų | 135 | 128.2 Ų | 128.2 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82 | -39 | -174.7 | -160.8 | 177.1 | -151.5 | 0 | 0 | 111.8 | D31 H37 | D31-E34 HydrophobicContact CB-CB 3.96Å; D31-E34 PolarHBondContact O-N 3.47Å; D31-E34 VanDerWaalsContact O-N 3.08Å; E34-H37 PolarHBondContact O-N 2.79Å |
| 35 | D | 54 | Low | 58.6 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 57% | 0.572 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.7 | -35.1 | 179.1 | -86 | -26.9 | 0 | 0 | 0 | 112.4 | H37 V38 | D35-H37 VanDerWaalsContact C-N 3.29Å; D35-H37 PolarHBondContact O-N 2.79Å; D35-V38 PolarHBondContact O-N 2.75Å |
| 36 | A | 55.8 | Low | 58.6 | Low | 50 Ų | 50 | 125.5 Ų | 125.5 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.8 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V38 W39 E40 | A36-V38 VanDerWaalsContact C-N 3.29Å; A36-V38 PolarHBondContact O-N 3.33Å; A36-W39 PolarHBondContact O-N 3.26Å; A36-E40 PolarHBondContact O-N 3.32Å |
| 37 | H | 58 | Low | 58.6 | Low | 111 Ų | 111 | 124.3 Ų | 124.3 | 51% | 0.514 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.3 | -29.3 | 177.2 | -79.4 | -48.8 | 0 | 0 | 0 | 113.3 | D33 E34 D35 W39 D41 | D33-H37 PolarHBondContact O-CD2 3.48Å; E34-H37 PolarHBondContact O-N 2.79Å; D35-H37 VanDerWaalsContact C-N 3.29Å; D35-H37 PolarHBondContact O-N 2.79Å; H37-W39 VanDerWaalsContact C-N 3.33Å; H37-W39 PolarHBondContact O-N 3.33Å; H37-D41 VanDerWaalsContact O-CB 3.3Å; H37-D41 WeakPolarHBondContact O-CB 3.38Å; H37-D41 PolarHBondContact O-N 2.76Å; H37-D41 VanDerWaalsContact O-N 3.08Å |
| 38 | V | 60.1 | Low | 58.6 | Low | 78 Ų | 78 | 118.7 Ų | 118.7 | 47% | 0.473 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.6 | -30.1 | -178.4 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | D35 A36 | D35-V38 PolarHBondContact O-N 2.75Å; A36-V38 VanDerWaalsContact C-N 3.29Å; A36-V38 PolarHBondContact O-N 3.33Å |
| 39 | W | 62.9 | Low | 58.6 | Low | 206 Ų | 206 | 121 Ų | 121 | 78% | 0.78 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -92.7 | -26.5 | -178 | -58.9 | 88.8 | 0 | 0 | 0 | 113.2 | A36 H37 | A36-W39 PolarHBondContact O-N 3.26Å; H37-W39 VanDerWaalsContact C-N 3.33Å; H37-W39 PolarHBondContact O-N 3.33Å |
| 40 | E | 55.8 | Low | 59 | Low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.6 | -38.7 | 174.5 | -69.6 | -166.7 | 170 | 0 | 0 | 112.7 | A36 | A36-E40 PolarHBondContact O-N 3.32Å |
| 41 | D | 62.2 | Low | 60.1 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.4 | -33.5 | -176.9 | -82 | -14.6 | 0 | 0 | 0 | 112.8 | H37 W43 D45 | H37-D41 VanDerWaalsContact O-CB 3.3Å; H37-D41 WeakPolarHBondContact O-CB 3.38Å; H37-D41 PolarHBondContact O-N 2.76Å; H37-D41 VanDerWaalsContact O-N 3.08Å; D41-W43 PolarHBondContact O-N 3Å; D41-D45 VanDerWaalsContact O-CB 3.25Å; D41-D45 WeakPolarHBondContact O-CB 3.07Å; D41-D45 PolarHBondContact O-N 3.46Å |
| 42 | N | 59.2 | Low | 60.9 | Low | 128 Ų | 128 | 121 Ų | 121 | 68% | 0.684 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -83.9 | -9.3 | -173 | -81.5 | 9.5 | 0 | 0 | 0 | 115.4 | ||
| 43 | W | 71.6 | Confident | 62.2 | Low | 233 Ų | 233 | 115.6 Ų | 115.6 | 88% | 0.883 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -92.9 | -28.6 | 178.7 | -164.2 | -59.5 | 0 | 0 | 0 | 112 | D41 | D41-W43 PolarHBondContact O-N 3Å |
| 44 | D | 61.5 | Low | 63.6 | Low | 134 Ų | 134 | 112.3 Ų | 112.3 | 72% | 0.717 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -106 | 2.3 | -179.6 | -151.1 | 21.9 | 0 | 0 | 0 | 113 | D46 | D44-D46 PolarHBondContact O-N 2.89Å |
| 45 | D | 61.6 | Low | 65 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 37% | 0.369 | 55% | 0.553 | S | S | . | * | trans | -77.2 | 59.5 | 174.2 | -165.5 | 5.1 | 0 | 0 | 0 | 111.9 | D41 N47 V48 | D41-D45 VanDerWaalsContact O-CB 3.25Å; D41-D45 WeakPolarHBondContact O-CB 3.07Å; D41-D45 PolarHBondContact O-N 3.46Å; D45-N47 PolarHBondContact O-N 3.31Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.25Å; D45-N47 PolarHBondContact OD1-N 3.15Å; D45-V48 PolarHBondContact O-N 3.06Å; D45-V48 PolarHBondContact OD1-N 3.08Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.2Å | ||
| 46 | D | 57.5 | Low | 66.6 | Low | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55.4 | -14.1 | 165.3 | -81.4 | -17.2 | 0 | 0 | 0 | 112 | D44 E49 D50 | D44-D46 PolarHBondContact O-N 2.89Å; D46-E49 PolarHBondContact O-N 3.45Å; D46-D50 PolarHBondContact O-N 2.91Å; D46-D50 VanDerWaalsContact O-N 3.1Å |
| 47 | N | 58.8 | Low | 68.1 | Low | 128 Ų | 128 | 116.3 Ų | 116.3 | 68% | 0.684 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.9 | -24.5 | -175.1 | 174.8 | 83.6 | 0 | 0 | 0 | 112.8 | D45 | D45-N47 PolarHBondContact O-N 3.31Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.25Å; D45-N47 PolarHBondContact OD1-N 3.15Å |
| 48 | V | 59.3 | Low | 69.7 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -79 | -35 | 171.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | D45 F52 | D45-V48 PolarHBondContact O-N 3.06Å; D45-V48 PolarHBondContact OD1-N 3.08Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.2Å; V48-F52 HydrophobicContact CG1-CD2 4.47Å; V48-F52 HydrophobicContact CG1-CE2 3.94Å; V48-F52 WeakPolarHBondContact O-CD2 3.3Å |
| 49 | E | 56.3 | Low | 71 | Confident | 137 Ų | 137 | 116.8 Ų | 116.8 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.7 | -34 | 176.3 | -169.6 | 175.2 | -160.4 | 0 | 0 | 112.3 | D46 S53 | D46-E49 PolarHBondContact O-N 3.45Å; E49-S53 WeakPolarHBondContact O-CB 3.3Å; E49-S53 PolarHBondContact O-N 3.48Å; E49-S53 PolarHBondContact O-OG 3.39Å; E49-S53 VanDerWaalsContact O-OG 3.08Å |
| 50 | D | 65.7 | Low | 72.2 | Confident | 80 Ų | 80 | 111.8 Ų | 111.8 | 43% | 0.428 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.9 | -34.2 | 178.4 | -164.7 | 40.4 | 0 | 0 | 0 | 112.6 | D46 S53 N54 | D46-D50 PolarHBondContact O-N 2.91Å; D46-D50 VanDerWaalsContact O-N 3.1Å; D50-S53 PolarHBondContact O-N 3.45Å; D50-N54 WeakPolarHBondContact O-CB 3.19Å; D50-N54 PolarHBondContact O-N 3.42Å; D50-N54 PolarHBondContact O-ND2 3.31Å; D50-N54 PolarHBondContact OD1-ND2 3.08Å; D50-N54 PolarHBondContact OD2-ND2 3.32Å |
| 51 | D | 77.8 | Confident | 73.8 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 179.1 | -170.7 | 41.9 | 0 | 0 | 0 | 112.4 | S53 N54 Q55 | D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 3.38Å; D51-N54 PolarHBondContact O-N 3.25Å; D51-Q55 WeakPolarHBondContact O-CB 3.19Å; D51-Q55 WeakPolarHBondContact O-CG 3.45Å; D51-Q55 PolarHBondContact O-N 3.14Å; D51-Q55 PolarHBondContact OD2-NE2 3.4Å |
| 52 | F | 74.5 | Confident | 75 | Confident | 139 Ų | 139 | 106.4 Ų | 106.4 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 174.4 | -70.5 | -70.5 | 0 | 0 | 0 | 111.9 | V48 L56 | V48-F52 HydrophobicContact CG1-CD2 4.47Å; V48-F52 HydrophobicContact CG1-CE2 3.94Å; V48-F52 WeakPolarHBondContact O-CD2 3.3Å; F52-L56 PolarHBondContact O-N 3.35Å; F52-L56 VanDerWaalsContact O-N 3.08Å |
| 53 | S | 82.9 | Confident | 76.4 | Confident | 45 Ų | 45 | 103.4 Ų | 103.4 | 32% | 0.315 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.2 | -68.5 | 0 | 0 | 0 | 0 | 112 | E49 D50 D51 L56 R57 | E49-S53 WeakPolarHBondContact O-CB 3.3Å; E49-S53 PolarHBondContact O-N 3.48Å; E49-S53 PolarHBondContact O-OG 3.39Å; E49-S53 VanDerWaalsContact O-OG 3.08Å; D50-S53 PolarHBondContact O-N 3.45Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 3.38Å; S53-L56 PolarHBondContact O-N 3.44Å; S53-R57 WeakPolarHBondContact O-CB 3.15Å; S53-R57 VanDerWaalsContact O-CG 3.23Å; S53-R57 WeakPolarHBondContact O-CG 3.37Å; S53-R57 PolarHBondContact O-N 3.3Å |
| 54 | N | 83.6 | Confident | 77.2 | Confident | 54 Ų | 54 | 97.5 Ų | 97.5 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 178.2 | -76 | -34.1 | 0 | 0 | 0 | 112 | D50 D51 L56 R57 H58 | D50-N54 WeakPolarHBondContact O-CB 3.19Å; D50-N54 PolarHBondContact O-N 3.42Å; D50-N54 PolarHBondContact O-ND2 3.31Å; D50-N54 PolarHBondContact OD1-ND2 3.08Å; D50-N54 PolarHBondContact OD2-ND2 3.32Å; D51-N54 PolarHBondContact O-N 3.25Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 2.77Å; N54-R57 PolarHBondContact O-N 3.41Å; N54-H58 VanDerWaalsContact O-CB 3.29Å; N54-H58 WeakPolarHBondContact O-CB 3.46Å; N54-H58 PolarHBondContact O-N 3.5Å |
| 55 | Q | 86.7 | Confident | 78.3 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 173.2 | -73.8 | 178.3 | 35.9 | 0 | 0 | 111.3 | D51 H58 S59 | D51-Q55 WeakPolarHBondContact O-CB 3.19Å; D51-Q55 WeakPolarHBondContact O-CG 3.45Å; D51-Q55 PolarHBondContact O-N 3.14Å; D51-Q55 PolarHBondContact OD2-NE2 3.4Å; Q55-H58 PolarHBondContact O-N 3.4Å; Q55-S59 WeakPolarHBondContact O-CB 3.29Å; Q55-S59 PolarHBondContact O-N 3.43Å |
| 56 | L | 86.3 | Confident | 79.2 | Confident | 110 Ų | 110 | 103.5 Ų | 103.5 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -45.1 | 178.4 | -175.5 | 62.2 | 0 | 0 | 0 | 112 | F52 S53 N54 H58 S59 I60 | F52-L56 PolarHBondContact O-N 3.35Å; F52-L56 VanDerWaalsContact O-N 3.08Å; S53-L56 PolarHBondContact O-N 3.44Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 2.77Å; L56-H58 PolarHBondContact O-N 3.04Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 3.08Å; L56-I60 HydrophobicContact CD1-CD1 4.2Å; L56-I60 HydrophobicContact CG-CD1 4.03Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 3.08Å |
| 57 | R | 88.4 | Confident | 80.3 | Confident | 161 Ų | 161 | 106.6 Ų | 106.6 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 175.6 | -74.6 | 173.1 | -179 | -159.7 | 3.5 | 111.4 | S53 N54 S59 I60 I61 | S53-R57 WeakPolarHBondContact O-CB 3.15Å; S53-R57 VanDerWaalsContact O-CG 3.23Å; S53-R57 WeakPolarHBondContact O-CG 3.37Å; S53-R57 PolarHBondContact O-N 3.3Å; N54-R57 PolarHBondContact O-N 3.41Å; R57-S59 PolarHBondContact O-N 3.25Å; R57-I60 PolarHBondContact O-N 2.84Å; R57-I61 VanDerWaalsContact O-CB 3.31Å; R57-I61 WeakPolarHBondContact O-CB 3.23Å; R57-I61 WeakPolarHBondContact O-CD1 3.38Å; R57-I61 WeakPolarHBondContact O-CG1 3.48Å; R57-I61 PolarHBondContact O-N 3.1Å |
| 58 | H | 91.3 | Very high | 81.1 | Confident | 134 Ų | 134 | 105.1 Ų | 105.1 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 175.6 | -86.6 | -164.1 | 0 | 0 | 0 | 112.3 | N54 Q55 L56 I61 S62 | N54-H58 VanDerWaalsContact O-CB 3.29Å; N54-H58 WeakPolarHBondContact O-CB 3.46Å; N54-H58 PolarHBondContact O-N 3.5Å; Q55-H58 PolarHBondContact O-N 3.4Å; L56-H58 PolarHBondContact O-N 3.04Å; H58-I61 PolarHBondContact O-N 2.85Å; H58-S62 WeakPolarHBondContact O-CB 3.18Å; H58-S62 PolarHBondContact O-N 3.44Å; H58-S62 PolarHBondContact O-OG 2.78Å |
| 59 | S | 87.1 | Confident | 81.9 | Confident | 64 Ų | 64 | 104.1 Ų | 104.1 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | Q55 L56 R57 S62 T63 | Q55-S59 WeakPolarHBondContact O-CB 3.29Å; Q55-S59 PolarHBondContact O-N 3.43Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 3.08Å; R57-S59 PolarHBondContact O-N 3.25Å; S59-S62 PolarHBondContact O-N 2.98Å; S59-S62 PolarHBondContact O-OG 2.77Å; S59-T63 WeakPolarHBondContact O-CB 3.37Å; S59-T63 VanDerWaalsContact O-CG2 3.23Å; S59-T63 WeakPolarHBondContact O-CG2 3.23Å; S59-T63 PolarHBondContact O-N 3.36Å; S59-T63 PolarHBondContact O-OG1 2.91Å |
| 60 | I | 88.9 | Confident | 82.7 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 178.7 | -65.1 | 168.8 | 0 | 0 | 0 | 111.4 | L56 R57 T63 H64 | L56-I60 HydrophobicContact CD1-CD1 4.2Å; L56-I60 HydrophobicContact CG-CD1 4.03Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 3.08Å; R57-I60 PolarHBondContact O-N 2.84Å; I60-T63 WeakPolarHBondContact CA-OG1 3.31Å; I60-T63 PolarHBondContact O-OG1 2.99Å; I60-H64 WeakPolarHBondContact O-CB 3.42Å; I60-H64 PolarHBondContact O-N 3.47Å |
| 61 | I | 89.1 | Confident | 82.8 | Confident | 78 Ų | 78 | 103 Ų | 103 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 179.7 | -68.8 | 165.9 | 0 | 0 | 0 | 110.9 | R57 H58 H64 K65 | R57-I61 VanDerWaalsContact O-CB 3.31Å; R57-I61 WeakPolarHBondContact O-CB 3.23Å; R57-I61 WeakPolarHBondContact O-CD1 3.38Å; R57-I61 WeakPolarHBondContact O-CG1 3.48Å; R57-I61 PolarHBondContact O-N 3.1Å; H58-I61 PolarHBondContact O-N 2.85Å; I61-H64 PolarHBondContact O-N 3.24Å; I61-K65 HydrophobicContact CG2-CD 3.88Å; I61-K65 VanDerWaalsContact CG2-CE 3.44Å; I61-K65 HydrophobicContact CG2-CG 4.37Å; I61-K65 WeakPolarHBondContact O-CB 3.12Å; I61-K65 VanDerWaalsContact O-CG 3.22Å; I61-K65 WeakPolarHBondContact O-CG 3.41Å; I61-K65 PolarHBondContact O-N 2.85Å |
| 62 | S | 87.9 | Confident | 82.1 | Confident | 65 Ų | 65 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 179.5 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | H58 S59 K65 R66 | H58-S62 WeakPolarHBondContact O-CB 3.18Å; H58-S62 PolarHBondContact O-N 3.44Å; H58-S62 PolarHBondContact O-OG 2.78Å; S59-S62 PolarHBondContact O-N 2.98Å; S59-S62 PolarHBondContact O-OG 2.77Å; S62-K65 PolarHBondContact O-N 3.01Å; S62-R66 VanDerWaalsContact O-CB 3.23Å; S62-R66 WeakPolarHBondContact O-CB 3.4Å; S62-R66 PolarHBondContact O-N 3.24Å |
| 63 | T | 87.7 | Confident | 81.5 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 173.6 | 53.6 | 0 | 0 | 0 | 0 | 111 | S59 I60 K65 R66 W67 | S59-T63 WeakPolarHBondContact O-CB 3.37Å; S59-T63 VanDerWaalsContact O-CG2 3.23Å; S59-T63 WeakPolarHBondContact O-CG2 3.23Å; S59-T63 PolarHBondContact O-N 3.36Å; S59-T63 PolarHBondContact O-OG1 2.91Å; I60-T63 WeakPolarHBondContact CA-OG1 3.31Å; I60-T63 PolarHBondContact O-OG1 2.99Å; T63-K65 PolarHBondContact O-N 3.49Å; T63-R66 PolarHBondContact O-N 3.45Å; T63-W67 WeakPolarHBondContact O-CB 3.34Å; T63-W67 PolarHBondContact O-N 3.35Å |
| 64 | H | 87.4 | Confident | 80.2 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 174.3 | -179.9 | 81.4 | 0 | 0 | 0 | 111.8 | I60 I61 R66 W67 H68 | I60-H64 WeakPolarHBondContact O-CB 3.42Å; I60-H64 PolarHBondContact O-N 3.47Å; I61-H64 PolarHBondContact O-N 3.24Å; H64-R66 VanDerWaalsContact C-N 3.35Å; H64-R66 PolarHBondContact O-N 2.82Å; H64-W67 PolarHBondContact O-N 2.93Å; H64-H68 AromaticContact CE1-CD2 3.4Å; H64-H68 PolarHBondContact CE1-CD2 2.96Å; H64-H68 VanDerWaalsContact CE1-CD2 3.4Å; H64-H68 AromaticContact CE1-NE2 3.84Å; H64-H68 AromaticContact NE2-CD2 3.29Å; H64-H68 PolarHBondContact NE2-CD2 3.48Å; H64-H68 VanDerWaalsContact NE2-CD2 3.29Å; H64-H68 AromaticContact NE2-NE2 3.81Å; H64-H68 WeakPolarHBondContact O-CB 3.17Å; H64-H68 PolarHBondContact O-N 2.95Å |
| 65 | K | 84.6 | Confident | 78.5 | Confident | 130 Ų | 130 | 119.4 Ų | 119.4 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -41.1 | 175.3 | -75.2 | 172.1 | 179.1 | 174.8 | 0 | 111.9 | I61 S62 T63 S69 | I61-K65 HydrophobicContact CG2-CD 3.88Å; I61-K65 VanDerWaalsContact CG2-CE 3.44Å; I61-K65 HydrophobicContact CG2-CG 4.37Å; I61-K65 WeakPolarHBondContact O-CB 3.12Å; I61-K65 VanDerWaalsContact O-CG 3.22Å; I61-K65 WeakPolarHBondContact O-CG 3.41Å; I61-K65 PolarHBondContact O-N 2.85Å; S62-K65 PolarHBondContact O-N 3.01Å; T63-K65 PolarHBondContact O-N 3.49Å; K65-S69 WeakPolarHBondContact O-CB 3.24Å; K65-S69 PolarHBondContact O-N 3.1Å; K65-S69 PolarHBondContact O-OG 3.45Å |
| 66 | R | 82.4 | Confident | 77.3 | Confident | 200 Ų | 200 | 118.4 Ų | 118.4 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 175.2 | 175.7 | 170.1 | -92.2 | -155.2 | -3.9 | 111 | S62 T63 H64 A70 | S62-R66 VanDerWaalsContact O-CB 3.23Å; S62-R66 WeakPolarHBondContact O-CB 3.4Å; S62-R66 PolarHBondContact O-N 3.24Å; T63-R66 PolarHBondContact O-N 3.45Å; H64-R66 VanDerWaalsContact C-N 3.35Å; H64-R66 PolarHBondContact O-N 2.82Å; R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 3.48Å |
| 67 | W | 79.1 | Confident | 76 | Confident | 173 Ų | 173 | 118.1 Ų | 118.1 | 66% | 0.655 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -46.6 | 174.3 | -89.2 | 105.7 | 0 | 0 | 0 | 112.4 | T63 H64 S69 A70 R71 | T63-W67 WeakPolarHBondContact O-CB 3.34Å; T63-W67 PolarHBondContact O-N 3.35Å; H64-W67 PolarHBondContact O-N 2.93Å; W67-S69 VanDerWaalsContact C-N 3.34Å; W67-S69 PolarHBondContact O-N 2.83Å; W67-A70 PolarHBondContact O-N 3.49Å; W67-R71 WeakPolarHBondContact O-CB 3.39Å; W67-R71 PolarHBondContact O-N 2.97Å |
| 68 | H | 76.9 | Confident | 74.3 | Confident | 98 Ų | 98 | 116.3 Ų | 116.3 | 45% | 0.454 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.3 | -46.1 | 176 | -115.8 | -91.6 | 0 | 0 | 0 | 110.6 | H64 R71 L72 | H64-H68 AromaticContact CE1-CD2 3.4Å; H64-H68 PolarHBondContact CE1-CD2 2.96Å; H64-H68 VanDerWaalsContact CE1-CD2 3.4Å; H64-H68 AromaticContact CE1-NE2 3.84Å; H64-H68 AromaticContact NE2-CD2 3.29Å; H64-H68 PolarHBondContact NE2-CD2 3.48Å; H64-H68 VanDerWaalsContact NE2-CD2 3.29Å; H64-H68 AromaticContact NE2-NE2 3.81Å; H64-H68 WeakPolarHBondContact O-CB 3.17Å; H64-H68 PolarHBondContact O-N 2.95Å; H68-R71 PolarHBondContact O-N 2.8Å; H68-L72 VanDerWaalsContact O-CB 3.26Å; H68-L72 WeakPolarHBondContact O-CB 3.19Å; H68-L72 VanDerWaalsContact O-CD1 3.3Å; H68-L72 WeakPolarHBondContact O-CD1 3.22Å; H68-L72 WeakPolarHBondContact O-CG 3.09Å; H68-L72 PolarHBondContact O-N 2.91Å |
| 69 | S | 74.7 | Confident | 72.4 | Confident | 53 Ų | 53 | 118.9 Ų | 118.9 | 37% | 0.371 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -39 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | K65 W67 R73 | K65-S69 WeakPolarHBondContact O-CB 3.24Å; K65-S69 PolarHBondContact O-N 3.1Å; K65-S69 PolarHBondContact O-OG 3.45Å; W67-S69 VanDerWaalsContact C-N 3.34Å; W67-S69 PolarHBondContact O-N 2.83Å; S69-R73 WeakPolarHBondContact O-CB 3.17Å; S69-R73 VanDerWaalsContact O-CG 3.24Å; S69-R73 WeakPolarHBondContact O-CG 3.3Å; S69-R73 PolarHBondContact O-N 2.86Å |
| 70 | A | 73.7 | Confident | 70.6 | Confident | 42 Ų | 42 | 121.3 Ų | 121.3 | 35% | 0.347 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.3 | -36 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R66 W67 R73 R74 | R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 3.48Å; W67-A70 PolarHBondContact O-N 3.49Å; A70-R73 PolarHBondContact O-N 3.35Å; A70-R74 WeakPolarHBondContact O-CB 3.26Å; A70-R74 PolarHBondContact O-N 2.81Å |
| 71 | R | 68 | Low | 68.9 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.9 | -29.6 | 174.7 | 178.2 | 169.6 | -83.7 | 163 | -5.2 | 112.4 | W67 H68 R74 | W67-R71 WeakPolarHBondContact O-CB 3.39Å; W67-R71 PolarHBondContact O-N 2.97Å; H68-R71 PolarHBondContact O-N 2.8Å; R71-R74 CarbonylContact C-O 3.54Å; R71-R74 CarbonylContact O-C 3.3Å; R71-R74 VanDerWaalsContact O-C 3.3Å |
| 72 | L | 62.1 | Low | 67.2 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 71% | 0.707 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.5 | -29.7 | 170.9 | -76.1 | 158.7 | 0 | 0 | 0 | 111.4 | H68 | H68-L72 VanDerWaalsContact O-CB 3.26Å; H68-L72 WeakPolarHBondContact O-CB 3.19Å; H68-L72 VanDerWaalsContact O-CD1 3.3Å; H68-L72 WeakPolarHBondContact O-CD1 3.22Å; H68-L72 WeakPolarHBondContact O-CG 3.09Å; H68-L72 PolarHBondContact O-N 2.91Å |
| 73 | R | 62.2 | Low | 65.9 | Low | 213 Ų | 213 | 134.6 Ų | 134.6 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -83.9 | -22.8 | 174.5 | -69.8 | 176.7 | -150.9 | -100 | 3.5 | 113.9 | S69 A70 | S69-R73 WeakPolarHBondContact O-CB 3.17Å; S69-R73 VanDerWaalsContact O-CG 3.24Å; S69-R73 WeakPolarHBondContact O-CG 3.3Å; S69-R73 PolarHBondContact O-N 2.86Å; A70-R73 PolarHBondContact O-N 3.35Å |
| 74 | R | 56.6 | Low | 64 | Low | 204 Ų | 204 | 137.5 Ų | 137.5 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -117.3 | 95.1 | 171.5 | -63.2 | -177.8 | -166.1 | -98.1 | 1.8 | 107.3 | A70 R71 | A70-R74 WeakPolarHBondContact O-CB 3.26Å; A70-R74 PolarHBondContact O-N 2.81Å; R71-R74 CarbonylContact C-O 3.54Å; R71-R74 CarbonylContact O-C 3.3Å; R71-R74 VanDerWaalsContact O-C 3.3Å |
| 75 | C | 47.3 | Very low | 62.1 | Low | 117 Ų | 117 | 137.2 Ų | 137.2 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -38.6 | 119.8 | 165.2 | -70.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 76 | P | 61.3 | Low | 60.5 | Low | 85 Ų | 85 | 138.2 Ų | 138.2 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 136.9 | 171.9 | 25.7 | -30.1 | 0 | 0 | 0 | 107.1 | ||
| 77 | P | 60.3 | Low | 58.6 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.9 | 164.6 | 26 | -31.6 | 0 | 0 | 0 | 107.4 | F79 | P77-F79 PolarHBondContact O-N 3.26Š|
| 78 | P | 52.8 | Low | 57.1 | Low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 133.6 | 170.7 | 25.1 | -32.3 | 0 | 0 | 0 | 107.2 | ||
| 79 | F | 49.8 | Very low | 55.5 | Low | 187 Ų | 187 | 135.2 Ų | 135.2 | 82% | 0.82 | 71% | 0.714 | S | S | * | * | trans | -28.4 | 126.7 | 178.1 | -102.5 | -105.2 | 0 | 0 | 0 | 112 | P77 E81 | P77-F79 PolarHBondContact O-N 3.26Å; F79-E81 PolarHBondContact O-N 3.47Å | ||
| 80 | P | 50.6 | Low | 54.1 | Low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -70.6 | 95.1 | 156.7 | 29.1 | -27.8 | 0 | 0 | 0 | 106.3 | S82 | P80-S82 PolarHBondContact O-N 2.78Š| ||
| 81 | E | 53.3 | Low | 52.7 | Low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -62.4 | 79.3 | 162.4 | -76.2 | -175.3 | 156.1 | 0 | 0 | 108.4 | F79 | F79-E81 PolarHBondContact O-N 3.47Š| ||
| 82 | S | 52.7 | Low | 52.2 | Low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -175.6 | 103.5 | 160.4 | -80.3 | 0 | 0 | 0 | 0 | 108.3 | P80 | P80-S82 PolarHBondContact O-N 2.78Š| ||
| 83 | R | 60 | Low | 51.5 | Low | 243 Ų | 243 | 146 Ų | 146 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 127.3 | 162.9 | -71.6 | 175.5 | 168.7 | -125.3 | -0.4 | 107.6 | S85 | R83-S85 PolarHBondContact O-N 3.25Å; R83-S85 VanDerWaalsContact O-N 3.1Å |
| 84 | P | 49.1 | Very low | 51.4 | Low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.7 | 176.2 | 25.9 | -31.3 | 0 | 0 | 0 | 109 | L86 | P84-L86 PolarHBondContact O-N 3.49Š|
| 85 | S | 46.1 | Very low | 51.3 | Low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127.5 | 168.9 | 35.3 | 0 | 0 | 0 | 0 | 108.9 | R83 T87 | R83-S85 PolarHBondContact O-N 3.25Å; R83-S85 VanDerWaalsContact O-N 3.1Å; S85-T87 PolarHBondContact O-N 2.84Å |
| 86 | L | 51.3 | Low | 51.8 | Low | 151 Ų | 151 | 134.4 Ų | 134.4 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -50.7 | 110.9 | 170.8 | -87.8 | 91.3 | 0 | 0 | 0 | 109.2 | P84 | P84-L86 PolarHBondContact O-N 3.49Š| ||
| 87 | T | 43.3 | Very low | 51.3 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -123.8 | 117.6 | 155.9 | 55.9 | 0 | 0 | 0 | 0 | 107.7 | S85 T89 | S85-T87 PolarHBondContact O-N 2.84Å; T87-T89 PolarHBondContact O-N 2.76Å | ||
| 88 | H | 48.1 | Very low | 51.1 | Low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | trans | -71.7 | 116.4 | 175.7 | -69.2 | 69.9 | 0 | 0 | 0 | 107.9 | ||||
| 89 | T | 42.6 | Very low | 51.1 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -115.8 | 96.3 | 162.2 | 50 | 0 | 0 | 0 | 0 | 109 | T87 T91 | T87-T89 PolarHBondContact O-N 2.76Å; T89-T91 PolarHBondContact O-N 3.43Å; T89-T91 VanDerWaalsContact O-N 3.14Å | ||
| 90 | R | 46.2 | Very low | 51.3 | Low | 235 Ų | 235 | 135.7 Ų | 135.7 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -54.2 | 106 | 158.6 | 171.9 | -174.7 | 178.2 | 179.1 | 0.3 | 108.3 | ||||
| 91 | T | 43.2 | Very low | 51.6 | Low | 95 Ų | 95 | 137.6 Ų | 137.6 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | trans | -122.8 | 110.8 | 163.3 | -54 | 0 | 0 | 0 | 0 | 108.9 | T89 E93 | T89-T91 PolarHBondContact O-N 3.43Å; T89-T91 VanDerWaalsContact O-N 3.14Å; T91-E93 HydrophobicContact CG2-CG 4.38Å; T91-E93 WeakPolarHBondContact CG2-OE1 3.19Å; T91-E93 PolarHBondContact O-N 2.88Å | ||
| 92 | T | 58.5 | Low | 51.9 | Low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -66.6 | 105.3 | 165.7 | 33.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 93 | E | 47.5 | Very low | 52.5 | Low | 148 Ų | 148 | 135 Ų | 135 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -145.3 | 107.4 | 162.6 | 50.5 | -156.6 | 126.7 | 0 | 0 | 108.9 | T91 S95 | T91-E93 HydrophobicContact CG2-CG 4.38Å; T91-E93 WeakPolarHBondContact CG2-OE1 3.19Å; T91-E93 PolarHBondContact O-N 2.88Å; E93-S95 PolarHBondContact O-N 2.75Å | ||
| 94 | A | 58.4 | Low | 52.8 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | trans | -60.4 | 96.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 95 | S | 55.9 | Low | 53.4 | Low | 68 Ų | 68 | 127.6 Ų | 127.6 | 48% | 0.476 | 73% | 0.725 | S | S | . | * | trans | -70.4 | 132.7 | 168.8 | -75.8 | 0 | 0 | 0 | 0 | 109.5 | E93 L97 V98 | E93-S95 PolarHBondContact O-N 2.75Å; S95-L97 PolarHBondContact O-N 3.05Å; S95-V98 PolarHBondContact O-N 2.81Å; S95-V98 VanDerWaalsContact O-N 3.15Å | ||
| 96 | P | 57.8 | Low | 54.2 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -14.2 | -178.4 | 26.3 | -35 | 0 | 0 | 0 | 113.2 | V98 | P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 3.38Å |
| 97 | L | 50.3 | Low | 54.6 | Low | 143 Ų | 143 | 131.9 Ų | 131.9 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -19.2 | 177.9 | -61.7 | -178.1 | 0 | 0 | 0 | 113.9 | S95 | S95-L97 PolarHBondContact O-N 3.05Š|
| 98 | V | 54.9 | Low | 55.3 | Low | 102 Ų | 102 | 131.4 Ų | 131.4 | 62% | 0.618 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -75.9 | -27.7 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | S95 P96 L100 L101 | S95-V98 PolarHBondContact O-N 2.81Å; S95-V98 VanDerWaalsContact O-N 3.15Å; P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 3.38Å; V98-L100 VanDerWaalsContact C-N 3.25Å; V98-L100 PolarHBondContact O-N 3.31Å; V98-L101 PolarHBondContact O-N 2.74Å |
| 99 | L | 54.6 | Low | 55.9 | Low | 137 Ų | 137 | 131.4 Ų | 131.4 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -70.8 | -18.3 | -179.8 | -112.6 | 124.8 | 0 | 0 | 0 | 113.6 | L101 V102 | L99-L101 PolarHBondContact O-N 3.48Å; L99-V102 PolarHBondContact O-N 2.84Å |
| 100 | L | 53.9 | Low | 56.6 | Low | 144 Ų | 144 | 133.4 Ų | 133.4 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -71 | -12.9 | 177.6 | -157.1 | 71.5 | 0 | 0 | 0 | 112.8 | V98 | V98-L100 VanDerWaalsContact C-N 3.25Å; V98-L100 PolarHBondContact O-N 3.31Å |
| 101 | L | 56.3 | Low | 57 | Low | 155 Ų | 155 | 129.8 Ų | 129.8 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -89.6 | -0.2 | 177.8 | -67.5 | 167.3 | 0 | 0 | 0 | 113.9 | V98 L99 | V98-L101 PolarHBondContact O-N 2.74Å; L99-L101 PolarHBondContact O-N 3.48Å |
| 102 | V | 58.6 | Low | 57.6 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -107.6 | 17.5 | -178 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | L99 P104 | L99-V102 PolarHBondContact O-N 2.84Å; V102-P104 WeakPolarHBondContact O-CD 3.43Å |
| 103 | T | 64.9 | Low | 57.6 | Low | 111 Ų | 111 | 129.4 Ų | 129.4 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | -106 | 101.8 | 170.5 | -37 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 104 | P | 67.1 | Low | 58.3 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | trans | -62.6 | 138 | 176.1 | 24.9 | -31.7 | 0 | 0 | 0 | 109.5 | V102 Q106 | V102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-Q106 PolarHBondContact O-N 2.79Å | ||
| 105 | P | 61.3 | Low | 58.1 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -63.3 | 121.8 | 175.8 | 26.4 | -32.4 | 0 | 0 | 0 | 108.5 | L107 | P105-L107 PolarHBondContact O-N 3.4Š| ||
| 106 | Q | 63.2 | Low | 58.1 | Low | 195 Ų | 195 | 137 Ų | 137 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -65.4 | 104.4 | 167.8 | -71.2 | -142.7 | -0.8 | 0 | 0 | 108.1 | P104 | P104-Q106 PolarHBondContact O-N 2.79Š| ||
| 107 | L | 60 | Low | 58.3 | Low | 146 Ų | 146 | 136 Ų | 136 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -62.4 | 129.8 | 167.3 | -65.6 | 172.9 | 0 | 0 | 0 | 107.7 | P105 L109 | P105-L107 PolarHBondContact O-N 3.4Å; L107-L109 PolarHBondContact O-N 2.85Å | ||
| 108 | P | 57.7 | Low | 58.7 | Low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -62.8 | 127.2 | 172 | 26 | -31.7 | 0 | 0 | 0 | 108.8 | I110 | P108-I110 PolarHBondContact O-N 3.29Š| ||
| 109 | L | 60.3 | Low | 58.7 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -59 | 99.3 | 173.5 | -69 | 164.5 | 0 | 0 | 0 | 109 | L107 H111 | L107-L109 PolarHBondContact O-N 2.85Å; L109-H111 PolarHBondContact O-N 3.4Å; L109-H111 VanDerWaalsContact O-N 3.17Å | ||
| 110 | I | 57.4 | Low | 58.2 | Low | 163 Ų | 163 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 109.8 | 168.7 | -60.1 | 168.9 | 0 | 0 | 0 | 106.4 | P108 | P108-I110 PolarHBondContact O-N 3.29Š| ||
| 111 | H | 55.4 | Low | 58.4 | Low | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 135.8 | 174.3 | -114.1 | -119.5 | 0 | 0 | 0 | 110.6 | L109 S113 | L109-H111 PolarHBondContact O-N 3.4Å; L109-H111 VanDerWaalsContact O-N 3.17Å; H111-S113 VanDerWaalsContact C-N 3.29Å; H111-S113 PolarHBondContact O-N 3.22Å | ||
| 112 | P | 55.1 | Low | 58.5 | Low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -80.3 | 81.9 | 172.2 | 33.5 | -30.8 | 0 | 0 | 0 | 108.2 | ||
| 113 | S | 59 | Low | 58.5 | Low | 89 Ų | 89 | 148.2 Ų | 148.2 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -158.1 | 136.5 | 167.8 | -157.1 | 0 | 0 | 0 | 0 | 108.4 | H111 | H111-S113 VanDerWaalsContact C-N 3.29Å; H111-S113 PolarHBondContact O-N 3.22Å | ||
| 114 | I | 61.2 | Low | 58.1 | Low | 154 Ų | 154 | 150.4 Ų | 150.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 93.8 | 65.9 | -175.5 | -43.3 | 152.3 | 0 | 0 | 0 | 112.7 | ||||
| 115 | Y | 56.2 | Low | 57.6 | Low | 228 Ų | 228 | 153.4 Ų | 153.4 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -78.5 | 124.4 | 141 | -68.1 | -84 | 0 | 0 | 0 | 107.5 | ||||
| 116 | P | 55.4 | Low | 57.3 | Low | 103 Ų | 103 | 156.1 Ų | 156.1 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | trans | -83.9 | 123.1 | 158.2 | 29.9 | -26.5 | 0 | 0 | 0 | 109.3 | W118 | P116-W118 PolarHBondContact O-N 2.92Å; P116-W118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | A | 62.5 | Low | 56.9 | Low | 92 Ų | 92 | 153.4 Ų | 153.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 91.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 118 | W | 58.7 | Low | 56.7 | Low | 227 Ų | 227 | 153.9 Ų | 153.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -132 | 57.8 | 161.3 | -63.3 | 90.3 | 0 | 0 | 0 | 109.5 | P116 | P116-W118 PolarHBondContact O-N 2.92Å; P116-W118 VanDerWaalsContact O-N 3.09Å | ||
| 119 | V | 54.8 | Low | 56.6 | Low | 136 Ų | 136 | 157.7 Ų | 157.7 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -101.8 | 96.5 | 144.7 | 166 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 120 | M | 43 | Very low | 56.2 | Low | 244 Ų | 244 | 156.6 Ų | 156.6 | 100% | 1.202 | 82% | 0.82 | S | S | * | * | trans | 160.7 | 0 | 150.7 | -91.5 | 163.5 | -177.9 | 0 | 0 | 110.1 |
Retrieved 120 of 120 residues in 17.1 ms
(Link to these results)