| 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 | 44.2 | Very low | 48.2 | Very low | 239 Ų | 239 | 152.8 Ų | 152.8 | 100% | 1.177 | 83% | 0.83 | S | S | * | * | 0 | 111.5 | 0 | -60.9 | -169.3 | -158.6 | 0 | 0 | 107.3 | |||||
| 2 | M | 41.5 | Very low | 48.3 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -74.9 | 116.3 | 178.7 | -68 | -84.7 | 177.8 | 0 | 0 | 108.3 | Q4 | M2-Q4 PolarHBondContact O-N 3.09Š| ||
| 3 | L | 52.2 | Low | 48.7 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -86.6 | 103.9 | 171.7 | -78.5 | 166.3 | 0 | 0 | 0 | 108.4 | ||||
| 4 | Q | 52.2 | Low | 49.3 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.1 | 171.6 | -88.4 | 153 | -11.6 | 0 | 0 | 110.8 | M2 | M2-Q4 PolarHBondContact O-N 3.09Š|
| 5 | H | 43.6 | Very low | 49 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 122.2 | 160.4 | -60.9 | -68 | 0 | 0 | 0 | 108.2 | G7 | H5-G7 PolarHBondContact O-N 2.86Š|
| 6 | P | 53.1 | Low | 48.9 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 122.9 | 167.4 | 21.5 | -14.2 | 0 | 0 | 0 | 108.7 | F8 | P6-F8 PolarHBondContact O-N 3.48Š|
| 7 | G | 47.4 | Very low | 48.7 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | H5 | H5-G7 PolarHBondContact O-N 2.86Š|
| 8 | F | 45.3 | Very low | 48.7 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -89.5 | 112.1 | 169.1 | -91.8 | -92 | 0 | 0 | 0 | 108.9 | P6 | P6-F8 PolarHBondContact O-N 3.48Š| ||
| 9 | S | 46.6 | Very low | 49 | Very low | 84 Ų | 84 | 141 Ų | 141 | 59% | 0.587 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 142.1 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | S11 | S9-S11 PolarHBondContact O-N 3.17Š| ||
| 10 | L | 49.9 | Very low | 48.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 23.8 | -178.1 | -90.8 | 155 | 0 | 0 | 0 | 115.3 | ||
| 11 | S | 54.5 | Low | 48.8 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -6.9 | -166.7 | -44.8 | 0 | 0 | 0 | 0 | 116.3 | S9 | S9-S11 PolarHBondContact O-N 3.17Š|
| 12 | D | 48.9 | Very low | 49.2 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -110.9 | 45.4 | -174.4 | -64.4 | -36 | 0 | 0 | 0 | 113.6 | S14 | D12-S14 PolarHBondContact O-N 3.37Š| ||
| 13 | I | 54.2 | Low | 49.6 | Very low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 84.8 | 166.9 | -54.5 | 166.6 | 0 | 0 | 0 | 107.9 | ||||
| 14 | S | 56.7 | Low | 49.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -173.5 | 97.7 | 157.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | D12 | D12-S14 PolarHBondContact O-N 3.37Š| ||
| 15 | A | 44.4 | Very low | 49.6 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -158.8 | 110.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A17 | A15-A17 PolarHBondContact O-N 3.14Š| ||
| 16 | S | 47.8 | Very low | 50.1 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 117.5 | 178.4 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | L18 | S16-L18 PolarHBondContact O-N 2.95Š| ||
| 17 | A | 45.6 | Very low | 50.4 | Low | 95 Ų | 95 | 121.4 Ų | 121.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -85 | 92.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | A15 V19 | A15-A17 PolarHBondContact O-N 3.14Å; A17-V19 PolarHBondContact O-N 3.32Å; A17-V19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | L | 49.3 | Very low | 50.7 | Low | 160 Ų | 160 | 123.5 Ų | 123.5 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -71.2 | 101.2 | 167.7 | -76.5 | 162.9 | 0 | 0 | 0 | 108.2 | S16 P20 | S16-L18 PolarHBondContact O-N 2.95Å; L18-P20 WeakPolarHBondContact O-CD 3.28Å | ||
| 19 | V | 53.3 | Low | 51.5 | Low | 114 Ų | 114 | 116.6 Ų | 116.6 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -79.5 | 122.5 | 165.2 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | A17 C21 | A17-V19 PolarHBondContact O-N 3.32Å; A17-V19 VanDerWaalsContact O-N 3.13Å; V19-C21 VanDerWaalsContact C-N 3.34Å; V19-C21 PolarHBondContact O-N 2.98Å | ||
| 20 | P | 47 | Very low | 52.2 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -67.8 | 94.8 | 169.2 | -16.6 | 31.1 | 0 | 0 | 0 | 109 | L18 L22 | L18-P20 WeakPolarHBondContact O-CD 3.28Å; P20-L22 PolarHBondContact O-N 3.3Å; P20-L22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | C | 47.6 | Very low | 52.8 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -73.4 | 98 | 169.6 | 35.4 | 0 | 0 | 0 | 0 | 108.8 | V19 S23 | V19-C21 VanDerWaalsContact C-N 3.34Å; V19-C21 PolarHBondContact O-N 2.98Å; C21-S23 PolarHBondContact O-N 3.31Å | ||
| 22 | L | 51.2 | Low | 53.4 | Low | 175 Ų | 175 | 115.1 Ų | 115.1 | 92% | 0.916 | 71% | 0.71 | S | S | * | * | trans | -67.2 | 86.6 | 160 | -66.4 | 169.2 | 0 | 0 | 0 | 107.5 | P20 | P20-L22 PolarHBondContact O-N 3.3Å; P20-L22 VanDerWaalsContact O-N 3.11Å | ||
| 23 | S | 50.7 | Low | 54 | Low | 93 Ų | 93 | 114.2 Ų | 114.2 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -126.2 | 134.4 | 166 | -69.9 | 0 | 0 | 0 | 0 | 108.3 | C21 | C21-S23 PolarHBondContact O-N 3.31Š| ||
| 24 | P | 51.9 | Low | 54.6 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | trans | -60.1 | 149.7 | 178.4 | -9.4 | 21.7 | 0 | 0 | 0 | 109.5 | G26 | P24-G26 PolarHBondContact O-N 3.07Š| ||
| 25 | P | 51.8 | Low | 55.1 | Low | 145 Ų | 145 | 109.6 Ų | 109.6 | 94% | 0.942 | 67% | 0.67 | S | S | * | * | trans | -73.4 | 71.5 | 174.5 | 32.1 | -32.8 | 0 | 0 | 0 | 109.4 | ||||
| 26 | G | 55.8 | Low | 56.2 | Low | 54 Ų | 54 | 110.6 Ų | 110.6 | 56% | 0.557 | 66% | 0.656 | S | S | * | * | trans | -102.3 | 101.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | P24 L28 | P24-G26 PolarHBondContact O-N 3.07Å; G26-L28 VanDerWaalsContact C-N 3.31Å; G26-L28 PolarHBondContact O-N 3.44Å | ||
| 27 | T | 58 | Low | 57.4 | Low | 118 Ų | 118 | 109.3 Ų | 109.3 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | trans | -63.9 | 97 | 167.5 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | T29 | T27-T29 VanDerWaalsContact C-N 3.3Å; T27-T29 HydrophobicContact CG2-CG2 4.12Å; T27-T29 PolarHBondContact O-N 2.96Å | ||
| 28 | L | 54.1 | Low | 58.7 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | trans | -71.6 | 99.1 | 164 | -64.8 | -174 | 0 | 0 | 0 | 105.4 | G26 D32 | G26-L28 VanDerWaalsContact C-N 3.31Å; G26-L28 PolarHBondContact O-N 3.44Å; L28-D32 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 29 | T | 62.7 | Low | 60.1 | Low | 56 Ų | 56 | 106 Ų | 106 | 34% | 0.344 | 62% | 0.617 | S | S | . | * | trans | -72.7 | 158.8 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 109 | T27 E31 D32 | T27-T29 VanDerWaalsContact C-N 3.3Å; T27-T29 HydrophobicContact CG2-CG2 4.12Å; T27-T29 PolarHBondContact O-N 2.96Å; T29-E31 PolarHBondContact O-N 2.9Å; T29-E31 VanDerWaalsContact O-N 3.08Å; T29-D32 PolarHBondContact N-OD2 2.95Å; T29-D32 WeakPolarHBondContact O-CB 3.27Å; T29-D32 PolarHBondContact O-N 3.17Å; T29-D32 PolarHBondContact OG1-OD2 3.37Å | ||
| 30 | L | 60.8 | Low | 61.5 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -54.4 | -29.4 | 176.2 | -173.7 | 65.1 | 0 | 0 | 0 | 112 | D32 F33 T34 | L30-D32 VanDerWaalsContact C-N 3.28Å; L30-D32 PolarHBondContact O-N 3.02Å; L30-F33 PolarHBondContact O-N 2.75Å; L30-T34 PolarHBondContact O-N 3.13Å; L30-T34 VanDerWaalsContact O-N 3.1Å; L30-T34 PolarHBondContact O-OG1 2.89Å |
| 31 | E | 62.9 | Low | 63.3 | Low | 126 Ų | 126 | 106.7 Ų | 106.7 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59 | -35.4 | 174 | -59.3 | -69.3 | 148 | 0 | 0 | 112.4 | T29 T34 N35 | T29-E31 PolarHBondContact O-N 2.9Å; T29-E31 VanDerWaalsContact O-N 3.08Å; E31-T34 VanDerWaalsContact C-OG1 3.29Å; E31-T34 VanDerWaalsContact CA-OG1 3.23Å; E31-T34 WeakPolarHBondContact CA-OG1 3.39Å; E31-T34 PolarHBondContact O-N 3.03Å; E31-T34 PolarHBondContact O-OG1 3.39Å; E31-N35 WeakPolarHBondContact O-CB 3.35Å; E31-N35 PolarHBondContact O-N 3.46Å; E31-N35 PolarHBondContact O-ND2 3.19Å |
| 32 | D | 67.2 | Low | 65.1 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 26% | 0.257 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.7 | -43.9 | 178.1 | -63.8 | -46.5 | 0 | 0 | 0 | 110.6 | L28 T29 L30 T34 N35 F36 | L28-D32 WeakPolarHBondContact CA-OD2 3.36Å; T29-D32 PolarHBondContact N-OD2 2.95Å; T29-D32 WeakPolarHBondContact O-CB 3.27Å; T29-D32 PolarHBondContact O-N 3.17Å; T29-D32 PolarHBondContact OG1-OD2 3.37Å; L30-D32 VanDerWaalsContact C-N 3.28Å; L30-D32 PolarHBondContact O-N 3.02Å; D32-T34 VanDerWaalsContact C-N 3.33Å; D32-T34 PolarHBondContact O-N 3.5Å; D32-N35 PolarHBondContact O-N 3.01Å; D32-N35 VanDerWaalsContact O-N 3.15Å; D32-F36 HydrophobicContact CB-CD2 4.29Å; D32-F36 HydrophobicContact CB-CE2 3.99Å; D32-F36 WeakPolarHBondContact O-CD2 3.35Å; D32-F36 WeakPolarHBondContact O-CG 3.36Å; D32-F36 PolarHBondContact O-N 3.09Å |
| 33 | F | 61.2 | Low | 66.8 | Low | 132 Ų | 132 | 104 Ų | 104 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -38.8 | 174.7 | -84.3 | -89.9 | 0 | 0 | 0 | 112.3 | L30 N35 T37 | L30-F33 PolarHBondContact O-N 2.75Å; F33-N35 VanDerWaalsContact C-N 3.3Å; F33-N35 PolarHBondContact O-N 3.25Å; F33-T37 WeakPolarHBondContact O-CB 3.31Å; F33-T37 PolarHBondContact O-N 3.47Å; F33-T37 VanDerWaalsContact O-N 3.12Å; F33-T37 PolarHBondContact O-OG1 3.35Å |
| 34 | T | 66 | Low | 68.5 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.7 | -30.8 | 175.8 | 53 | 0 | 0 | 0 | 0 | 112.3 | L30 E31 D32 P38 | L30-T34 PolarHBondContact O-N 3.13Å; L30-T34 VanDerWaalsContact O-N 3.1Å; L30-T34 PolarHBondContact O-OG1 2.89Å; E31-T34 VanDerWaalsContact C-OG1 3.29Å; E31-T34 VanDerWaalsContact CA-OG1 3.23Å; E31-T34 WeakPolarHBondContact CA-OG1 3.39Å; E31-T34 PolarHBondContact O-N 3.03Å; E31-T34 PolarHBondContact O-OG1 3.39Å; D32-T34 VanDerWaalsContact C-N 3.33Å; D32-T34 PolarHBondContact O-N 3.5Å; T34-P38 WeakPolarHBondContact O-CD 3.49Å |
| 35 | N | 67.8 | Low | 70.3 | Confident | 94 Ų | 94 | 106.9 Ų | 106.9 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.1 | -35 | 176.9 | -74.6 | -39.1 | 0 | 0 | 0 | 113.2 | E31 D32 F33 P38 | E31-N35 WeakPolarHBondContact O-CB 3.35Å; E31-N35 PolarHBondContact O-N 3.46Å; E31-N35 PolarHBondContact O-ND2 3.19Å; D32-N35 PolarHBondContact O-N 3.01Å; D32-N35 VanDerWaalsContact O-N 3.15Å; F33-N35 VanDerWaalsContact C-N 3.3Å; F33-N35 PolarHBondContact O-N 3.25Å; N35-P38 VanDerWaalsContact O-CD 3.3Å; N35-P38 WeakPolarHBondContact O-CD 3.49Å; N35-P38 VanDerWaalsContact O-CG 3.29Å; N35-P38 WeakPolarHBondContact O-CG 3.33Å |
| 36 | F | 68.1 | Low | 72 | Confident | 121 Ų | 121 | 104.5 Ų | 104.5 | 53% | 0.531 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.8 | -32.2 | 177.5 | -71 | -61.9 | 0 | 0 | 0 | 113.5 | D32 L39 V40 | D32-F36 HydrophobicContact CB-CD2 4.29Å; D32-F36 HydrophobicContact CB-CE2 3.99Å; D32-F36 WeakPolarHBondContact O-CD2 3.35Å; D32-F36 WeakPolarHBondContact O-CG 3.36Å; D32-F36 PolarHBondContact O-N 3.09Å; F36-L39 PolarHBondContact O-N 3.49Å; F36-V40 WeakPolarHBondContact O-CG2 3.43Å; F36-V40 PolarHBondContact O-N 3.36Å |
| 37 | T | 71.9 | Confident | 73.6 | Confident | 86 Ų | 86 | 104.6 Ų | 104.6 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -54.6 | -45.8 | -179.2 | -60.9 | 0 | 0 | 0 | 0 | 114.4 | F33 K41 | F33-T37 WeakPolarHBondContact O-CB 3.31Å; F33-T37 PolarHBondContact O-N 3.47Å; F33-T37 VanDerWaalsContact O-N 3.12Å; F33-T37 PolarHBondContact O-OG1 3.35Å; T37-K41 WeakPolarHBondContact O-CB 3.44Å; T37-K41 PolarHBondContact O-N 3.22Å |
| 38 | P | 72.6 | Confident | 75 | Confident | 77 Ų | 77 | 102.7 Ų | 102.7 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.9 | 24.9 | -34.1 | 0 | 0 | 0 | 112.6 | T34 N35 K41 E42 | T34-P38 WeakPolarHBondContact O-CD 3.49Å; N35-P38 VanDerWaalsContact O-CD 3.3Å; N35-P38 WeakPolarHBondContact O-CD 3.49Å; N35-P38 VanDerWaalsContact O-CG 3.29Å; N35-P38 WeakPolarHBondContact O-CG 3.33Å; P38-K41 PolarHBondContact O-N 2.95Å; P38-E42 WeakPolarHBondContact O-CB 3.4Å; P38-E42 PolarHBondContact O-N 2.95Å |
| 39 | L | 80.4 | Confident | 76.6 | Confident | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -48.4 | 178.1 | -75.2 | 153.2 | 0 | 0 | 0 | 111.4 | F36 K41 E42 E43 | F36-L39 PolarHBondContact O-N 3.49Å; L39-K41 VanDerWaalsContact C-N 3.28Å; L39-K41 PolarHBondContact O-N 3.19Å; L39-E42 PolarHBondContact O-N 2.95Å; L39-E43 WeakPolarHBondContact O-CG 3.22Å; L39-E43 PolarHBondContact O-N 3.09Å |
| 40 | V | 82.4 | Confident | 77.7 | Confident | 90 Ų | 90 | 102 Ų | 102 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 111 | F36 L44 | F36-V40 WeakPolarHBondContact O-CG2 3.43Å; F36-V40 PolarHBondContact O-N 3.36Å; V40-L44 WeakPolarHBondContact O-CB 3.32Å; V40-L44 PolarHBondContact O-N 3.39Å |
| 41 | K | 83.3 | Confident | 78.9 | Confident | 156 Ų | 156 | 102.1 Ų | 102.1 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 176.1 | -173.7 | 179.1 | -179.2 | -177.1 | 0 | 111.7 | T37 P38 L39 R45 | T37-K41 WeakPolarHBondContact O-CB 3.44Å; T37-K41 PolarHBondContact O-N 3.22Å; P38-K41 PolarHBondContact O-N 2.95Å; L39-K41 VanDerWaalsContact C-N 3.28Å; L39-K41 PolarHBondContact O-N 3.19Å; K41-R45 WeakPolarHBondContact O-CB 3.47Å; K41-R45 PolarHBondContact O-N 3.16Å |
| 42 | E | 86 | Confident | 79.8 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.4 | -41.3 | 177.8 | -173 | 54.5 | -147.3 | 0 | 0 | 111.8 | P38 L39 L44 R45 Q46 | P38-E42 WeakPolarHBondContact O-CB 3.4Å; P38-E42 PolarHBondContact O-N 2.95Å; L39-E42 PolarHBondContact O-N 2.95Å; E42-L44 PolarHBondContact O-N 3.23Å; E42-R45 WeakPolarHBondContact O-CB 3.28Å; E42-R45 PolarHBondContact O-N 3.2Å; E42-Q46 WeakPolarHBondContact O-CB 3.35Å; E42-Q46 WeakPolarHBondContact O-CG 3.46Å; E42-Q46 PolarHBondContact O-N 3.08Å; E42-Q46 PolarHBondContact OE1-NE2 3.45Å |
| 43 | E | 86.3 | Confident | 80.3 | Confident | 143 Ų | 143 | 104.1 Ų | 104.1 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 173.5 | -73.8 | -159.8 | 161.6 | 0 | 0 | 111.8 | L39 R45 Q46 A47 | L39-E43 WeakPolarHBondContact O-CG 3.22Å; L39-E43 PolarHBondContact O-N 3.09Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 3.43Å; E43-Q46 PolarHBondContact O-N 3.34Å; E43-A47 WeakPolarHBondContact O-CB 3.3Å; E43-A47 PolarHBondContact O-N 3.39Å |
| 44 | L | 88.2 | Confident | 81 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 174.6 | -177.4 | 60.7 | 0 | 0 | 0 | 111.1 | V40 E42 A47 I48 | V40-L44 WeakPolarHBondContact O-CB 3.32Å; V40-L44 PolarHBondContact O-N 3.39Å; E42-L44 PolarHBondContact O-N 3.23Å; L44-A47 PolarHBondContact O-N 3.07Å; L44-I48 HydrophobicContact CD1-CD1 4.08Å; L44-I48 HydrophobicContact CD1-CG1 4.32Å; L44-I48 HydrophobicContact CG-CD1 3.88Å; L44-I48 WeakPolarHBondContact O-CB 3.34Å; L44-I48 WeakPolarHBondContact O-CD1 3.4Å; L44-I48 WeakPolarHBondContact O-CG1 3.46Å; L44-I48 PolarHBondContact O-N 2.97Å |
| 45 | R | 88.6 | Confident | 81.5 | Confident | 163 Ų | 163 | 101.2 Ų | 101.2 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -47.1 | 176.1 | -177.6 | -178 | 167.8 | 129 | -0.5 | 111.1 | K41 E42 E43 I48 Q49 | K41-R45 WeakPolarHBondContact O-CB 3.47Å; K41-R45 PolarHBondContact O-N 3.16Å; E42-R45 WeakPolarHBondContact O-CB 3.28Å; E42-R45 PolarHBondContact O-N 3.2Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 3.43Å; R45-I48 PolarHBondContact O-N 3.04Å; R45-Q49 VanDerWaalsContact O-CB 3.29Å; R45-Q49 WeakPolarHBondContact O-CB 3.48Å; R45-Q49 PolarHBondContact O-N 3.06Å |
| 46 | Q | 88.1 | Confident | 81.6 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 175.8 | -74 | -179.8 | 28.3 | 0 | 0 | 111.8 | E42 E43 I48 Q49 N50 | E42-Q46 WeakPolarHBondContact O-CB 3.35Å; E42-Q46 WeakPolarHBondContact O-CG 3.46Å; E42-Q46 PolarHBondContact O-N 3.08Å; E42-Q46 PolarHBondContact OE1-NE2 3.45Å; E43-Q46 PolarHBondContact O-N 3.34Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 2.93Å; Q46-Q49 PolarHBondContact O-N 3.28Å; Q46-N50 VanDerWaalsContact O-CB 3.22Å; Q46-N50 WeakPolarHBondContact O-CB 3.42Å; Q46-N50 VanDerWaalsContact O-CG 3.28Å; Q46-N50 PolarHBondContact O-N 3.21Å |
| 47 | A | 89 | Confident | 81.7 | Confident | 56 Ų | 56 | 98.3 Ų | 98.3 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E43 L44 K51 | E43-A47 WeakPolarHBondContact O-CB 3.3Å; E43-A47 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 3.07Å; A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 3.46Å |
| 48 | I | 88 | Confident | 81.4 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 174.6 | -70.1 | 165.1 | 0 | 0 | 0 | 110.5 | L44 R45 Q46 K51 R52 | L44-I48 HydrophobicContact CD1-CD1 4.08Å; L44-I48 HydrophobicContact CD1-CG1 4.32Å; L44-I48 HydrophobicContact CG-CD1 3.88Å; L44-I48 WeakPolarHBondContact O-CB 3.34Å; L44-I48 WeakPolarHBondContact O-CD1 3.4Å; L44-I48 WeakPolarHBondContact O-CG1 3.46Å; L44-I48 PolarHBondContact O-N 2.97Å; R45-I48 PolarHBondContact O-N 3.04Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 2.93Å; I48-K51 CarbonylContact O-C 3.59Å; I48-K51 PolarHBondContact O-N 2.94Å; I48-R52 HydrophobicContact CG2-CG 4.44Å; I48-R52 WeakPolarHBondContact O-CB 3.23Å; I48-R52 VanDerWaalsContact O-CG 3.26Å; I48-R52 WeakPolarHBondContact O-CG 3.33Å; I48-R52 PolarHBondContact O-N 3.32Å |
| 49 | Q | 87.3 | Confident | 81 | Confident | 67 Ų | 67 | 98.1 Ų | 98.1 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -49.3 | 179.6 | -174.8 | 175.5 | -1.9 | 0 | 0 | 111.3 | R45 Q46 K51 R52 L53 | R45-Q49 VanDerWaalsContact O-CB 3.29Å; R45-Q49 WeakPolarHBondContact O-CB 3.48Å; R45-Q49 PolarHBondContact O-N 3.06Å; Q46-Q49 PolarHBondContact O-N 3.28Å; Q49-K51 VanDerWaalsContact C-N 3.25Å; Q49-K51 PolarHBondContact O-N 2.97Å; Q49-R52 CarbonylContact O-C 3.54Å; Q49-R52 WeakPolarHBondContact O-CA 3.39Å; Q49-R52 WeakPolarHBondContact O-CB 3.31Å; Q49-R52 PolarHBondContact O-N 3.03Å; Q49-L53 HydrophobicContact CG-CD1 4.13Å; Q49-L53 HydrophobicContact CG-CG 4.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.4Å; Q49-L53 WeakPolarHBondContact O-CG 3.34Å; Q49-L53 PolarHBondContact O-N 3.36Å |
| 50 | N | 86 | Confident | 79.7 | Confident | 98 Ų | 98 | 99.3 Ų | 99.3 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 174.2 | -73.7 | -16.7 | 0 | 0 | 0 | 111.5 | Q46 R52 S54 | Q46-N50 VanDerWaalsContact O-CB 3.22Å; Q46-N50 WeakPolarHBondContact O-CB 3.42Å; Q46-N50 VanDerWaalsContact O-CG 3.28Å; Q46-N50 PolarHBondContact O-N 3.21Å; N50-R52 VanDerWaalsContact C-N 3.34Å; N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.48Å; N50-S54 PolarHBondContact O-N 3.01Å; N50-S54 PolarHBondContact O-OG 3.34Å |
| 51 | K | 85.4 | Confident | 78.5 | Confident | 142 Ų | 142 | 103 Ų | 103 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.3 | -30.7 | 173.3 | -169.9 | 168.2 | -175.7 | 175.3 | 0 | 112.6 | A47 I48 Q49 S54 N55 | A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 3.46Å; I48-K51 CarbonylContact O-C 3.59Å; I48-K51 PolarHBondContact O-N 2.94Å; Q49-K51 VanDerWaalsContact C-N 3.25Å; Q49-K51 PolarHBondContact O-N 2.97Å; K51-S54 WeakPolarHBondContact CA-OG 3.42Å; K51-S54 PolarHBondContact O-OG 3.49Å; K51-N55 WeakPolarHBondContact O-CB 3.37Å; K51-N55 PolarHBondContact O-N 3.31Å; K51-N55 VanDerWaalsContact O-N 3.17Å; K51-N55 PolarHBondContact O-ND2 3.46Å; K51-N55 PolarHBondContact O-OD1 3.44Å |
| 52 | R | 81.9 | Confident | 77.1 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 50% | 0.498 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.6 | -42.8 | 173.3 | -75.3 | 169.8 | 177.2 | -101.6 | 2.9 | 111.8 | I48 Q49 N50 N55 G56 L57 | I48-R52 HydrophobicContact CG2-CG 4.44Å; I48-R52 WeakPolarHBondContact O-CB 3.23Å; I48-R52 VanDerWaalsContact O-CG 3.26Å; I48-R52 WeakPolarHBondContact O-CG 3.33Å; I48-R52 PolarHBondContact O-N 3.32Å; Q49-R52 CarbonylContact O-C 3.54Å; Q49-R52 WeakPolarHBondContact O-CA 3.39Å; Q49-R52 WeakPolarHBondContact O-CB 3.31Å; Q49-R52 PolarHBondContact O-N 3.03Å; N50-R52 VanDerWaalsContact C-N 3.34Å; R52-N55 CarbonylContact O-C 3.59Å; R52-N55 WeakPolarHBondContact O-CA 3.28Å; R52-N55 WeakPolarHBondContact O-CB 3.44Å; R52-N55 PolarHBondContact O-N 3.37Å; R52-G56 PolarHBondContact O-N 3.36Å; R52-L57 HydrophobicContact CB-CB 4.38Å; R52-L57 PolarHBondContact O-N 3.33Å |
| 53 | L | 78.1 | Confident | 75.3 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 44% | 0.44 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -49.5 | 177.8 | -69.7 | 176.1 | 0 | 0 | 0 | 112 | Q49 N55 G56 | Q49-L53 HydrophobicContact CG-CD1 4.13Å; Q49-L53 HydrophobicContact CG-CG 4.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.4Å; Q49-L53 WeakPolarHBondContact O-CG 3.34Å; Q49-L53 PolarHBondContact O-N 3.36Å; L53-N55 PolarHBondContact O-N 3.3Å; L53-N55 VanDerWaalsContact O-N 3.12Å; L53-G56 PolarHBondContact O-N 3.47Å |
| 54 | S | 76.6 | Confident | 73.4 | Confident | 76 Ų | 76 | 103.3 Ų | 103.3 | 53% | 0.531 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -26.1 | 169.2 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | N50 K51 R80 | N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.48Å; N50-S54 PolarHBondContact O-N 3.01Å; N50-S54 PolarHBondContact O-OG 3.34Å; K51-S54 WeakPolarHBondContact CA-OG 3.42Å; K51-S54 PolarHBondContact O-OG 3.49Å; S54-R80 VanDerWaalsContact O-CZ 3.3Å; S54-R80 PolarHBondContact O-NH2 3.45Å |
| 55 | N | 75.9 | Confident | 71.4 | Confident | 68 Ų | 68 | 102.3 Ų | 102.3 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -2.3 | 173 | -68.1 | -5 | 0 | 0 | 0 | 117.8 | K51 R52 L53 L57 R80 | K51-N55 WeakPolarHBondContact O-CB 3.37Å; K51-N55 PolarHBondContact O-N 3.31Å; K51-N55 VanDerWaalsContact O-N 3.17Å; K51-N55 PolarHBondContact O-ND2 3.46Å; K51-N55 PolarHBondContact O-OD1 3.44Å; R52-N55 CarbonylContact O-C 3.59Å; R52-N55 WeakPolarHBondContact O-CA 3.28Å; R52-N55 WeakPolarHBondContact O-CB 3.44Å; R52-N55 PolarHBondContact O-N 3.37Å; L53-N55 PolarHBondContact O-N 3.3Å; L53-N55 VanDerWaalsContact O-N 3.12Å; N55-L57 VanDerWaalsContact C-N 3.26Å; N55-L57 PolarHBondContact O-N 3.3Å; N55-R80 WeakPolarHBondContact O-CD 2.94Å; N55-R80 PolarHBondContact O-NH1 3.38Å; N55-R80 VanDerWaalsContact OD1-CZ 3.24Å; N55-R80 PolarHBondContact OD1-NH1 2.93Å; N55-R80 PolarHBondContact OD1-NH2 2.93Å |
| 56 | G | 69.9 | Low | 69.4 | Low | 50 Ų | 50 | 100.3 Ų | 100.3 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.4 | 16.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R52 L53 | R52-G56 PolarHBondContact O-N 3.36Å; L53-G56 PolarHBondContact O-N 3.47Å |
| 57 | L | 70.3 | Confident | 67.3 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -94.2 | 105.4 | 169.7 | -111.9 | 71 | 0 | 0 | 0 | 107.8 | R52 N55 | R52-L57 HydrophobicContact CB-CB 4.38Å; R52-L57 PolarHBondContact O-N 3.33Å; N55-L57 VanDerWaalsContact C-N 3.26Å; N55-L57 PolarHBondContact O-N 3.3Å | ||
| 58 | S | 64.1 | Low | 65.5 | Low | 95 Ų | 95 | 103.5 Ų | 103.5 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | trans | -66 | 149 | 176 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 59 | T | 64.3 | Low | 63.5 | Low | 64 Ų | 64 | 104.1 Ų | 104.1 | 39% | 0.393 | 62% | 0.623 | S | S | . | * | trans | -99.3 | 66.1 | 179.9 | 0.7 | 0 | 0 | 0 | 0 | 109.4 | M61 | T59-M61 PolarHBondContact O-N 3.37Š| ||
| 60 | D | 53.2 | Low | 61.7 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | trans | -85.4 | 98.9 | 169.1 | -77.4 | -34.1 | 0 | 0 | 0 | 108.9 | S62 | D60-S62 PolarHBondContact O-N 2.91Š| ||
| 61 | M | 58.6 | Low | 59.7 | Low | 167 Ų | 167 | 113.8 Ų | 113.8 | 82% | 0.823 | 66% | 0.66 | S | S | * | * | trans | -81.7 | 99 | 157.3 | -65.6 | -68.2 | 98.4 | 0 | 0 | 106.5 | T59 | T59-M61 PolarHBondContact O-N 3.37Š| ||
| 62 | S | 53.3 | Low | 57.6 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | trans | -104.2 | 114.8 | 163.7 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | D60 C64 | D60-S62 PolarHBondContact O-N 2.91Å; S62-C64 PolarHBondContact O-N 3.32Å | ||
| 63 | D | 48.5 | Very low | 56 | Low | 167 Ų | 167 | 112.1 Ų | 112.1 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | trans | -63.2 | 114 | 165.2 | -69.4 | -45.4 | 0 | 0 | 0 | 108.6 | ||||
| 64 | C | 46.3 | Very low | 54.3 | Low | 118 Ų | 118 | 116.1 Ų | 116.1 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | trans | -152.5 | 115.7 | 167.5 | -177.2 | 0 | 0 | 0 | 0 | 111 | S62 | S62-C64 PolarHBondContact O-N 3.32Š| ||
| 65 | A | 46 | Very low | 52.8 | Low | 84 Ų | 84 | 116.4 Ų | 116.4 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | trans | -69.9 | 142.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 66 | S | 47.5 | Very low | 51.2 | Low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | 47.3 | 111.3 | 152.4 | -53.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 67 | S | 43.8 | Very low | 50.2 | Low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | -170.9 | 137.1 | 127.1 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 68 | S | 51.1 | Low | 49 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -56.9 | 141 | 172.8 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 69 | S | 46 | Very low | 48.2 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | 147.1 | 120.4 | 122.6 | 67 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 70 | D | 48.1 | Very low | 47.7 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 44.4 | 98 | 146.3 | -153.2 | 7.8 | 0 | 0 | 0 | 117.5 | ||||
| 71 | R | 44.5 | Very low | 47.7 | Very low | 224 Ų | 224 | 129.9 Ų | 129.9 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -134.3 | 103.6 | 163.9 | -62.3 | -64.4 | 161.5 | 179.2 | -1.4 | 109 | S73 | R71-S73 PolarHBondContact O-N 2.93Š| ||
| 72 | T | 41.7 | Very low | 47.5 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | -31.6 | 131.3 | 156.1 | 42.5 | 0 | 0 | 0 | 0 | 111.3 | E74 | T72-E74 PolarHBondContact O-N 3.47Š| ||
| 73 | S | 47.3 | Very low | 47.7 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -67 | 71.1 | 178.2 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | R71 | R71-S73 PolarHBondContact O-N 2.93Š| ||
| 74 | E | 43.6 | Very low | 48.4 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -95.8 | 85.5 | 164.8 | -76.8 | -77.5 | 147.5 | 0 | 0 | 107 | T72 | T72-E74 PolarHBondContact O-N 3.47Š| ||
| 75 | A | 45.8 | Very low | 49.5 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -58.6 | 127.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S77 | A75-S77 PolarHBondContact O-N 2.9Š| ||
| 76 | P | 42.2 | Very low | 51 | Low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | trans | -64.6 | 105.3 | 173.3 | 12 | -8 | 0 | 0 | 0 | 107.1 | V78 | P76-V78 HydrophobicContact CB-CG2 4.48Å; P76-V78 PolarHBondContact O-N 2.87Å | ||
| 77 | S | 48.9 | Very low | 52.6 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | trans | -62.2 | 73.8 | 164.4 | 156 | 0 | 0 | 0 | 0 | 107.6 | A75 K79 | A75-S77 PolarHBondContact O-N 2.9Å; S77-K79 VanDerWaalsContact C-N 3.25Å; S77-K79 PolarHBondContact O-N 3.34Å | ||
| 78 | V | 44.9 | Very low | 54.7 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 62% | 0.618 | 65% | 0.647 | S | S | * | * | trans | -65.1 | 100.6 | 161.1 | -176.4 | 0 | 0 | 0 | 0 | 104.2 | P76 R80 | P76-V78 HydrophobicContact CB-CG2 4.48Å; P76-V78 PolarHBondContact O-N 2.87Å; V78-R80 PolarHBondContact O-N 3.46Å | ||
| 79 | K | 47.5 | Very low | 56.7 | Low | 186 Ų | 186 | 122.6 Ų | 122.6 | 81% | 0.809 | 64% | 0.643 | S | S | * | * | trans | -60.7 | 75 | 166.8 | -71.3 | 175.3 | 179.8 | 175 | 0 | 106.9 | S77 E81 | S77-K79 VanDerWaalsContact C-N 3.25Å; S77-K79 PolarHBondContact O-N 3.34Å; K79-E81 VanDerWaalsContact C-N 3.27Å; K79-E81 PolarHBondContact O-N 3.17Å | ||
| 80 | R | 53 | Low | 58.9 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 40% | 0.4 | 63% | 0.633 | S | S | . | * | trans | -71 | 98.6 | 165 | -167.9 | 160.7 | 174 | -132.8 | -6.3 | 104.1 | S54 N55 V78 K82 | S54-R80 VanDerWaalsContact O-CZ 3.3Å; S54-R80 PolarHBondContact O-NH2 3.45Å; N55-R80 WeakPolarHBondContact O-CD 2.94Å; N55-R80 PolarHBondContact O-NH1 3.38Å; N55-R80 VanDerWaalsContact OD1-CZ 3.24Å; N55-R80 PolarHBondContact OD1-NH1 2.93Å; N55-R80 PolarHBondContact OD1-NH2 2.93Å; V78-R80 PolarHBondContact O-N 3.46Å; R80-K82 PolarHBondContact O-N 3.31Å | ||
| 81 | E | 52.9 | Low | 61.1 | Low | 189 Ų | 189 | 122.7 Ų | 122.7 | 88% | 0.883 | 62% | 0.622 | S | S | * | * | trans | -54.2 | 87.3 | 162.9 | -74.4 | -178.5 | 161.9 | 0 | 0 | 106.5 | K79 I83 | K79-E81 VanDerWaalsContact C-N 3.27Å; K79-E81 PolarHBondContact O-N 3.17Å; E81-I83 PolarHBondContact O-N 2.93Å | ||
| 82 | K | 54.1 | Low | 63.5 | Low | 79 Ų | 79 | 120.5 Ų | 120.5 | 34% | 0.343 | 61% | 0.613 | S | S | . | * | trans | -57.4 | 130 | 164.3 | -69.9 | 171.1 | -174.2 | 158.2 | 0 | 104.3 | R80 | R80-K82 PolarHBondContact O-N 3.31Š| ||
| 83 | I | 59 | Low | 66.1 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | trans | -37.9 | 120 | 164 | -61.5 | 162.6 | 0 | 0 | 0 | 106.2 | E81 E85 E86 S87 | E81-I83 PolarHBondContact O-N 2.93Å; I83-E85 HydrophobicContact CG2-CB 4.28Å; I83-E85 PolarHBondContact O-N 3.3Å; I83-E86 WeakPolarHBondContact O-CB 3.29Å; I83-E86 PolarHBondContact O-N 3.45Å; I83-S87 PolarHBondContact O-N 3.41Å | ||
| 84 | P | 63.1 | Low | 68.5 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 66% | 0.656 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -49 | -33.6 | -166.9 | -32.9 | 35.4 | 0 | 0 | 0 | 113.6 | E86 S87 D88 | P84-E86 PolarHBondContact O-N 2.9Å; P84-S87 WeakPolarHBondContact O-CB 3.35Å; P84-S87 PolarHBondContact O-N 3.46Å; P84-D88 PolarHBondContact O-N 3.49Å |
| 85 | E | 67.8 | Low | 71.1 | Confident | 158 Ų | 158 | 121.3 Ų | 121.3 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.2 | -39.4 | 175.2 | -162.5 | 179.3 | 175.8 | 0 | 0 | 114.5 | I83 R89 | I83-E85 HydrophobicContact CG2-CB 4.28Å; I83-E85 PolarHBondContact O-N 3.3Å; E85-R89 WeakPolarHBondContact O-CB 3.46Å; E85-R89 PolarHBondContact O-N 3.13Å; E85-R89 VanDerWaalsContact O-N 3.11Å |
| 86 | E | 77.7 | Confident | 73.6 | Confident | 102 Ų | 102 | 125.1 Ų | 125.1 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71 | -36.3 | 177.4 | -160.4 | -155.6 | 157.5 | 0 | 0 | 111.6 | I83 P84 R90 | I83-E86 WeakPolarHBondContact O-CB 3.29Å; I83-E86 PolarHBondContact O-N 3.45Å; P84-E86 PolarHBondContact O-N 2.9Å; E86-R90 WeakPolarHBondContact O-CB 2.97Å; E86-R90 PolarHBondContact O-N 3.42Å; E86-R90 VanDerWaalsContact O-N 3.08Å |
| 87 | S | 82.6 | Confident | 76.2 | Confident | 31 Ų | 31 | 125 Ų | 125 | 22% | 0.217 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -57.9 | -49.5 | 174 | 145.3 | 0 | 0 | 0 | 0 | 111.1 | I83 P84 R90 K91 | I83-S87 PolarHBondContact O-N 3.41Å; P84-S87 WeakPolarHBondContact O-CB 3.35Å; P84-S87 PolarHBondContact O-N 3.46Å; S87-R90 WeakPolarHBondContact O-CB 3.17Å; S87-R90 PolarHBondContact O-N 3.32Å; S87-R90 VanDerWaalsContact O-N 3.16Å; S87-K91 WeakPolarHBondContact O-CG 3.45Å; S87-K91 PolarHBondContact O-N 3.29Å; S87-K91 WeakPolarHBondContact OG-CE 3.41Å |
| 88 | D | 88 | Confident | 78.6 | Confident | 73 Ų | 73 | 128 Ų | 128 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.1 | -35.3 | -174.1 | -67.6 | -19.7 | 0 | 0 | 0 | 112 | P84 R90 K91 R92 | P84-D88 PolarHBondContact O-N 3.49Å; D88-R90 PolarHBondContact O-N 3.14Å; D88-K91 PolarHBondContact O-N 2.96Å; D88-K91 IonicContact OD1-NZ 2.86Å; D88-K91 PolarHBondContact OD1-NZ 2.9Å; D88-R92 WeakPolarHBondContact O-CG 3.46Å; D88-R92 PolarHBondContact O-N 3.17Å |
| 89 | R | 91.6 | Very high | 81.1 | Confident | 163 Ų | 163 | 127.7 Ų | 127.7 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.2 | -39.1 | 169.1 | -168.5 | 177.4 | -174.4 | -162.7 | 2.9 | 111.5 | E85 R93 | E85-R89 WeakPolarHBondContact O-CB 3.46Å; E85-R89 PolarHBondContact O-N 3.13Å; E85-R89 VanDerWaalsContact O-N 3.11Å; R89-R93 WeakPolarHBondContact O-CG 3.49Å; R89-R93 PolarHBondContact O-N 3.36Å |
| 90 | R | 92.4 | Very high | 83.6 | Confident | 117 Ų | 117 | 121.5 Ų | 121.5 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -39.5 | 176.8 | -167 | 170.8 | -174.6 | 172.9 | -3.8 | 112.2 | E86 S87 D88 R93 R94 | E86-R90 WeakPolarHBondContact O-CB 2.97Å; E86-R90 PolarHBondContact O-N 3.42Å; E86-R90 VanDerWaalsContact O-N 3.08Å; S87-R90 WeakPolarHBondContact O-CB 3.17Å; S87-R90 PolarHBondContact O-N 3.32Å; S87-R90 VanDerWaalsContact O-N 3.16Å; D88-R90 PolarHBondContact O-N 3.14Å; R90-R93 PolarHBondContact O-N 3.42Å; R90-R94 WeakPolarHBondContact O-CG 2.9Å; R90-R94 PolarHBondContact O-N 2.91Å; R90-R94 VanDerWaalsContact O-N 3.07Å |
| 91 | K | 94 | Very high | 85.7 | Confident | 122 Ų | 122 | 118.2 Ų | 118.2 | 53% | 0.53 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60 | -50 | 173.8 | -69.2 | 173.7 | -167 | 158.7 | 0 | 111.3 | S87 D88 R93 R94 E95 | S87-K91 WeakPolarHBondContact O-CG 3.45Å; S87-K91 PolarHBondContact O-N 3.29Å; S87-K91 WeakPolarHBondContact OG-CE 3.41Å; D88-K91 PolarHBondContact O-N 2.96Å; D88-K91 IonicContact OD1-NZ 2.86Å; D88-K91 PolarHBondContact OD1-NZ 2.9Å; K91-R93 PolarHBondContact O-N 3.39Å; K91-R94 PolarHBondContact O-N 3.43Å; K91-E95 PolarHBondContact O-N 2.97Å |
| 92 | R | 94.8 | Very high | 87.9 | Confident | 177 Ų | 177 | 111.4 Ų | 111.4 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -33.4 | 177 | -69.1 | 179.8 | -177.3 | -159.6 | -0.8 | 113.2 | D88 R96 | D88-R92 WeakPolarHBondContact O-CG 3.46Å; D88-R92 PolarHBondContact O-N 3.17Å; R92-R96 WeakPolarHBondContact O-CG 3.35Å; R92-R96 PolarHBondContact O-N 2.96Å; R92-R96 PolarHBondContact O-NE 2.9Å |
| 93 | R | 97.1 | Very high | 90 | Very high | 138 Ų | 138 | 115.1 Ų | 115.1 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 174.7 | -76.5 | 178.6 | 178 | -173.9 | -0.6 | 112 | R89 R90 K91 R96 N97 | R89-R93 WeakPolarHBondContact O-CG 3.49Å; R89-R93 PolarHBondContact O-N 3.36Å; R90-R93 PolarHBondContact O-N 3.42Å; K91-R93 PolarHBondContact O-N 3.39Å; R93-R96 PolarHBondContact O-N 3.42Å; R93-N97 WeakPolarHBondContact O-CB 3.43Å; R93-N97 PolarHBondContact O-N 2.78Å |
| 94 | R | 97.6 | Very high | 91.9 | Very high | 156 Ų | 156 | 113.7 Ų | 113.7 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 177.3 | -72 | 179.2 | 179.8 | -177.3 | -1.8 | 111.8 | R90 K91 N97 K98 | R90-R94 WeakPolarHBondContact O-CG 2.9Å; R90-R94 PolarHBondContact O-N 2.91Å; R90-R94 VanDerWaalsContact O-N 3.07Å; K91-R94 PolarHBondContact O-N 3.43Å; R94-N97 PolarHBondContact O-N 3.39Å; R94-K98 WeakPolarHBondContact O-CB 3.49Å; R94-K98 PolarHBondContact O-N 3.26Å |
| 95 | E | 97.3 | Very high | 93.6 | Very high | 130 Ų | 130 | 117.9 Ų | 117.9 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 177.8 | -172.5 | 170.6 | -160.9 | 0 | 0 | 111.6 | K91 N97 K98 V99 | K91-E95 PolarHBondContact O-N 2.97Å; E95-N97 VanDerWaalsContact C-N 3.34Å; E95-N97 PolarHBondContact O-N 3.08Å; E95-K98 WeakPolarHBondContact O-CB 3.3Å; E95-K98 PolarHBondContact O-N 3.18Å; E95-V99 WeakPolarHBondContact O-CG2 3.34Å; E95-V99 PolarHBondContact O-N 2.87Å |
| 96 | R | 98.3 | Very high | 95.1 | Very high | 162 Ų | 162 | 114.7 Ų | 114.7 | 61% | 0.611 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.9 | -43.3 | 172.6 | -77.1 | -176.3 | -75.6 | 154.8 | -14.7 | 112.7 | R92 R93 V99 A100 | R92-R96 WeakPolarHBondContact O-CG 3.35Å; R92-R96 PolarHBondContact O-N 2.96Å; R92-R96 PolarHBondContact O-NE 2.9Å; R93-R96 PolarHBondContact O-N 3.42Å; R96-V99 PolarHBondContact O-N 3.06Å; R96-A100 WeakPolarHBondContact O-CB 3.29Å; R96-A100 PolarHBondContact O-N 2.98Å |
| 97 | N | 98 | Very high | 96.1 | Very high | 115 Ų | 115 | 117.2 Ų | 117.2 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -37.1 | 177 | -177.7 | -101.1 | 0 | 0 | 0 | 112.1 | R93 R94 E95 A100 A101 | R93-N97 WeakPolarHBondContact O-CB 3.43Å; R93-N97 PolarHBondContact O-N 2.78Å; R94-N97 PolarHBondContact O-N 3.39Å; E95-N97 VanDerWaalsContact C-N 3.34Å; E95-N97 PolarHBondContact O-N 3.08Å; N97-A100 PolarHBondContact O-N 3.1Å; N97-A101 VanDerWaalsContact O-CB 3.3Å; N97-A101 WeakPolarHBondContact O-CB 3.22Å; N97-A101 PolarHBondContact O-N 2.74Å |
| 98 | K | 98.4 | Very high | 96.8 | Very high | 162 Ų | 162 | 123.2 Ų | 123.2 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.3 | -47.6 | 174.3 | -176.3 | -178.3 | 179.1 | -175.8 | 0 | 110.8 | R94 E95 A101 A102 | R94-K98 WeakPolarHBondContact O-CB 3.49Å; R94-K98 PolarHBondContact O-N 3.26Å; E95-K98 WeakPolarHBondContact O-CB 3.3Å; E95-K98 PolarHBondContact O-N 3.18Å; K98-A101 PolarHBondContact O-N 2.93Å; K98-A102 WeakPolarHBondContact O-CB 3.42Å; K98-A102 PolarHBondContact O-N 2.86Å |
| 99 | V | 98.3 | Very high | 97.4 | Very high | 96 Ų | 96 | 126 Ų | 126 | 58% | 0.582 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -44.2 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | E95 R96 A101 A102 K103 | E95-V99 WeakPolarHBondContact O-CG2 3.34Å; E95-V99 PolarHBondContact O-N 2.87Å; R96-V99 PolarHBondContact O-N 3.06Å; V99-A101 PolarHBondContact O-N 3.11Å; V99-A102 PolarHBondContact O-N 3.01Å; V99-K103 WeakPolarHBondContact O-CB 3.36Å; V99-K103 PolarHBondContact O-N 3.21Å |
| 100 | A | 98.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 124 Ų | 124 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R96 N97 K103 C104 | R96-A100 WeakPolarHBondContact O-CB 3.29Å; R96-A100 PolarHBondContact O-N 2.98Å; N97-A100 PolarHBondContact O-N 3.1Å; A100-K103 PolarHBondContact O-N 2.92Å; A100-C104 WeakPolarHBondContact O-CB 3.45Å; A100-C104 PolarHBondContact O-N 3.25Å |
| 101 | A | 98.6 | Very high | 98 | Very high | 37 Ų | 37 | 125.3 Ų | 125.3 | 31% | 0.306 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N97 K98 V99 C104 R105 | N97-A101 VanDerWaalsContact O-CB 3.3Å; N97-A101 WeakPolarHBondContact O-CB 3.22Å; N97-A101 PolarHBondContact O-N 2.74Å; K98-A101 PolarHBondContact O-N 2.93Å; V99-A101 PolarHBondContact O-N 3.11Å; A101-C104 PolarHBondContact O-N 3.2Å; A101-R105 WeakPolarHBondContact O-CG 3.35Å; A101-R105 PolarHBondContact O-N 3.47Å |
| 102 | A | 98.6 | Very high | 98.2 | Very high | 45 Ų | 45 | 123.4 Ų | 123.4 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.9 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | K98 V99 C104 R105 N106 | K98-A102 WeakPolarHBondContact O-CB 3.42Å; K98-A102 PolarHBondContact O-N 2.86Å; V99-A102 PolarHBondContact O-N 3.01Å; A102-C104 PolarHBondContact O-N 3.49Å; A102-R105 PolarHBondContact O-N 3.47Å; A102-N106 WeakPolarHBondContact O-CB 3.3Å; A102-N106 PolarHBondContact O-N 2.64Å; A102-N106 PolarHBondContact O-OD1 3.45Å |
| 103 | K | 98.7 | Very high | 98.4 | Very high | 157 Ų | 157 | 118.1 Ų | 118.1 | 68% | 0.683 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.5 | -40.1 | 176.8 | -170.3 | 174.4 | -176.1 | 175.4 | 0 | 112.4 | V99 A100 N106 K107 | V99-K103 WeakPolarHBondContact O-CB 3.36Å; V99-K103 PolarHBondContact O-N 3.21Å; A100-K103 PolarHBondContact O-N 2.92Å; K103-N106 PolarHBondContact O-N 2.97Å; K103-K107 VanDerWaalsContact O-CB 3.29Å; K103-K107 WeakPolarHBondContact O-CB 3.34Å; K103-K107 PolarHBondContact O-N 3.41Å |
| 104 | C | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 115.4 Ų | 115.4 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -46.4 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | A100 A101 A102 K107 K108 | A100-C104 WeakPolarHBondContact O-CB 3.45Å; A100-C104 PolarHBondContact O-N 3.25Å; A101-C104 PolarHBondContact O-N 3.2Å; A102-C104 PolarHBondContact O-N 3.49Å; C104-K107 PolarHBondContact O-N 2.92Å; C104-K108 WeakPolarHBondContact O-CB 3.39Å; C104-K108 PolarHBondContact O-N 2.94Å |
| 105 | R | 98.7 | Very high | 98.5 | Very high | 189 Ų | 189 | 112.7 Ų | 112.7 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.7 | -46.5 | 176.1 | -71 | 173.5 | -178.8 | 176.2 | -0.9 | 111.8 | A101 A102 K108 K109 | A101-R105 WeakPolarHBondContact O-CG 3.35Å; A101-R105 PolarHBondContact O-N 3.47Å; A102-R105 PolarHBondContact O-N 3.47Å; R105-K108 PolarHBondContact O-N 2.8Å; R105-K109 WeakPolarHBondContact O-CB 3.49Å; R105-K109 PolarHBondContact O-N 2.93Å |
| 106 | N | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 111.4 Ų | 111.4 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -45.9 | 178.3 | -75.3 | 8.9 | 0 | 0 | 0 | 111.5 | A102 K103 K108 K109 E110 | A102-N106 WeakPolarHBondContact O-CB 3.3Å; A102-N106 PolarHBondContact O-N 2.64Å; A102-N106 PolarHBondContact O-OD1 3.45Å; K103-N106 PolarHBondContact O-N 2.97Å; N106-K108 VanDerWaalsContact C-N 3.28Å; N106-K108 PolarHBondContact O-N 3.36Å; N106-K109 CarbonylContact O-C 3.21Å; N106-K109 WeakPolarHBondContact O-CB 3.4Å; N106-K109 PolarHBondContact O-N 2.92Å; N106-K109 VanDerWaalsContact O-N 3.1Å; N106-E110 WeakPolarHBondContact O-CB 3.4Å; N106-E110 WeakPolarHBondContact O-CG 3.38Å; N106-E110 PolarHBondContact O-N 3.49Å |
| 107 | K | 98.8 | Very high | 98.6 | Very high | 155 Ų | 155 | 109.9 Ų | 109.9 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -38.1 | 177.4 | -172.7 | 174.3 | -176.1 | 179.1 | 0 | 112.2 | K103 C104 K111 | K103-K107 VanDerWaalsContact O-CB 3.29Å; K103-K107 WeakPolarHBondContact O-CB 3.34Å; K103-K107 PolarHBondContact O-N 3.41Å; C104-K107 PolarHBondContact O-N 2.92Å; K107-K111 WeakPolarHBondContact O-CB 3.28Å; K107-K111 PolarHBondContact O-N 2.89Å; K107-K111 VanDerWaalsContact O-N 3.1Å |
| 108 | K | 98.7 | Very high | 98.6 | Very high | 157 Ų | 157 | 109.9 Ų | 109.9 | 68% | 0.683 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -46.2 | 174.1 | -172.1 | 178.6 | -179.3 | -177.4 | 0 | 110.8 | C104 R105 N106 K111 T112 | C104-K108 WeakPolarHBondContact O-CB 3.39Å; C104-K108 PolarHBondContact O-N 2.94Å; R105-K108 PolarHBondContact O-N 2.8Å; N106-K108 VanDerWaalsContact C-N 3.28Å; N106-K108 PolarHBondContact O-N 3.36Å; K108-K111 PolarHBondContact O-N 2.94Å; K108-T112 PolarHBondContact O-N 3.41Å; K108-T112 VanDerWaalsContact O-N 3.08Å; K108-T112 PolarHBondContact O-OG1 3.12Å |
| 109 | K | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 104.4 Ų | 104.4 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.1 | -52.5 | 177.5 | -175.8 | -177.8 | 174.9 | -175.1 | 0 | 111.5 | R105 N106 K111 T112 D113 | R105-K109 WeakPolarHBondContact O-CB 3.49Å; R105-K109 PolarHBondContact O-N 2.93Å; N106-K109 CarbonylContact O-C 3.21Å; N106-K109 WeakPolarHBondContact O-CB 3.4Å; N106-K109 PolarHBondContact O-N 2.92Å; N106-K109 VanDerWaalsContact O-N 3.1Å; K109-K111 VanDerWaalsContact C-N 3.28Å; K109-K111 PolarHBondContact O-N 3.15Å; K109-T112 CarbonylContact O-C 3.58Å; K109-T112 PolarHBondContact O-N 3.37Å; K109-D113 WeakPolarHBondContact CE-OD2 3.21Å; K109-D113 WeakPolarHBondContact O-CB 3.38Å; K109-D113 VanDerWaalsContact O-CG 3.26Å; K109-D113 PolarHBondContact O-N 2.93Å |
| 110 | E | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55.1 | -43 | 177.7 | -73.2 | 166.3 | -165.1 | 0 | 0 | 111.8 | N106 T112 D113 C114 | N106-E110 WeakPolarHBondContact O-CB 3.4Å; N106-E110 WeakPolarHBondContact O-CG 3.38Å; N106-E110 PolarHBondContact O-N 3.49Å; E110-T112 PolarHBondContact O-N 3.12Å; E110-D113 PolarHBondContact O-N 2.95Å; E110-C114 WeakPolarHBondContact O-CB 3.23Å; E110-C114 PolarHBondContact O-N 2.68Å; E110-C114 PolarHBondContact O-SG 2.92Å |
| 111 | K | 98.6 | Very high | 98.7 | Very high | 146 Ų | 146 | 107.1 Ų | 107.1 | 64% | 0.635 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 175.8 | -174.2 | 179.5 | -179.9 | -177.1 | 0 | 111.7 | K107 K108 K109 L115 | K107-K111 WeakPolarHBondContact O-CB 3.28Å; K107-K111 PolarHBondContact O-N 2.89Å; K107-K111 VanDerWaalsContact O-N 3.1Å; K108-K111 PolarHBondContact O-N 2.94Å; K109-K111 VanDerWaalsContact C-N 3.28Å; K109-K111 PolarHBondContact O-N 3.15Å; K111-L115 HydrophobicContact CG-CD1 4.45Å; K111-L115 WeakPolarHBondContact O-CG 3.44Å; K111-L115 PolarHBondContact O-N 3.14Å; K111-L115 VanDerWaalsContact O-N 3.15Å |
| 112 | T | 98.5 | Very high | 98.7 | Very high | 81 Ų | 81 | 110.6 Ų | 110.6 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 177.8 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | K108 K109 E110 C114 L115 Q116 | K108-T112 PolarHBondContact O-N 3.41Å; K108-T112 VanDerWaalsContact O-N 3.08Å; K108-T112 PolarHBondContact O-OG1 3.12Å; K109-T112 CarbonylContact O-C 3.58Å; K109-T112 PolarHBondContact O-N 3.37Å; E110-T112 PolarHBondContact O-N 3.12Å; T112-C114 VanDerWaalsContact C-N 3.32Å; T112-C114 PolarHBondContact O-N 3.35Å; T112-L115 PolarHBondContact O-N 3.35Å; T112-Q116 WeakPolarHBondContact O-CB 3.47Å; T112-Q116 PolarHBondContact O-N 3.05Å |
| 113 | D | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 114.1 Ų | 114.1 | 36% | 0.358 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | 178.8 | -66.5 | -5.9 | 0 | 0 | 0 | 111.3 | K109 E110 K117 | K109-D113 WeakPolarHBondContact CE-OD2 3.21Å; K109-D113 WeakPolarHBondContact O-CB 3.38Å; K109-D113 VanDerWaalsContact O-CG 3.26Å; K109-D113 PolarHBondContact O-N 2.93Å; E110-D113 PolarHBondContact O-N 2.95Å; D113-K117 VanDerWaalsContact O-CG 3.28Å; D113-K117 WeakPolarHBondContact O-CG 3.46Å; D113-K117 PolarHBondContact O-N 2.86Å |
| 114 | C | 98.5 | Very high | 98.7 | Very high | 81 Ų | 81 | 109.9 Ų | 109.9 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 174.6 | -73.2 | 0 | 0 | 0 | 0 | 112.1 | E110 T112 Q116 K117 E118 | E110-C114 WeakPolarHBondContact O-CB 3.23Å; E110-C114 PolarHBondContact O-N 2.68Å; E110-C114 PolarHBondContact O-SG 2.92Å; T112-C114 VanDerWaalsContact C-N 3.32Å; T112-C114 PolarHBondContact O-N 3.35Å; C114-Q116 VanDerWaalsContact C-N 3.31Å; C114-Q116 PolarHBondContact O-N 3.46Å; C114-K117 PolarHBondContact O-N 3.18Å; C114-E118 WeakPolarHBondContact O-CB 3.4Å; C114-E118 PolarHBondContact O-N 2.94Å |
| 115 | L | 98.8 | Very high | 98.6 | Very high | 99 Ų | 99 | 108.8 Ų | 108.8 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.8 | -69.8 | 172.5 | 0 | 0 | 0 | 111.8 | K111 T112 E118 S119 | K111-L115 HydrophobicContact CG-CD1 4.45Å; K111-L115 WeakPolarHBondContact O-CG 3.44Å; K111-L115 PolarHBondContact O-N 3.14Å; K111-L115 VanDerWaalsContact O-N 3.15Å; T112-L115 PolarHBondContact O-N 3.35Å; L115-E118 PolarHBondContact O-N 3.38Å; L115-S119 PolarHBondContact O-N 3.19Å |
| 116 | Q | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 103.6 Ų | 103.6 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 177.2 | -176.3 | 61.6 | 31 | 0 | 0 | 111.2 | T112 C114 E118 S119 E120 | T112-Q116 WeakPolarHBondContact O-CB 3.47Å; T112-Q116 PolarHBondContact O-N 3.05Å; C114-Q116 VanDerWaalsContact C-N 3.31Å; C114-Q116 PolarHBondContact O-N 3.46Å; Q116-E118 VanDerWaalsContact C-N 3.32Å; Q116-E118 PolarHBondContact O-N 3.3Å; Q116-S119 WeakPolarHBondContact O-CB 3.14Å; Q116-S119 PolarHBondContact O-N 3.33Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.45Å; Q116-E120 PolarHBondContact NE2-OE1 2.84Å; Q116-E120 VanDerWaalsContact NE2-OE1 3.11Å; Q116-E120 WeakPolarHBondContact O-CG 3.2Å; Q116-E120 PolarHBondContact O-N 2.97Å |
| 117 | K | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 102.6 Ų | 102.6 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 176.1 | -72.8 | 172.9 | -177.7 | -179.7 | 0 | 112.4 | D113 C114 S119 E120 I121 | D113-K117 VanDerWaalsContact O-CG 3.28Å; D113-K117 WeakPolarHBondContact O-CG 3.46Å; D113-K117 PolarHBondContact O-N 2.86Å; C114-K117 PolarHBondContact O-N 3.18Å; K117-S119 VanDerWaalsContact C-N 3.34Å; K117-E120 PolarHBondContact O-N 2.99Å; K117-I121 WeakPolarHBondContact O-CD1 3.47Å; K117-I121 VanDerWaalsContact O-CG1 3.23Å; K117-I121 WeakPolarHBondContact O-CG1 3.46Å; K117-I121 PolarHBondContact O-N 2.96Å |
| 118 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.1 | -172.7 | 174.3 | -175 | 0 | 0 | 111.2 | C114 L115 Q116 I121 L122 | C114-E118 WeakPolarHBondContact O-CB 3.4Å; C114-E118 PolarHBondContact O-N 2.94Å; L115-E118 PolarHBondContact O-N 3.38Å; Q116-E118 VanDerWaalsContact C-N 3.32Å; Q116-E118 PolarHBondContact O-N 3.3Å; E118-I121 PolarHBondContact O-N 3.38Å; E118-L122 HydrophobicContact CG-CD1 4.18Å; E118-L122 WeakPolarHBondContact O-CB 3.28Å; E118-L122 VanDerWaalsContact O-CG 3.28Å; E118-L122 WeakPolarHBondContact O-CG 3.41Å; E118-L122 PolarHBondContact O-N 3.49Å |
| 119 | S | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 97.6 Ų | 97.6 | 33% | 0.329 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 173 | -160.3 | 0 | 0 | 0 | 0 | 111.6 | L115 Q116 K117 I121 L122 E123 | L115-S119 PolarHBondContact O-N 3.19Å; Q116-S119 WeakPolarHBondContact O-CB 3.14Å; Q116-S119 PolarHBondContact O-N 3.33Å; K117-S119 VanDerWaalsContact C-N 3.34Å; S119-I121 VanDerWaalsContact C-N 3.33Å; S119-I121 PolarHBondContact O-N 3.39Å; S119-L122 PolarHBondContact O-N 3.02Å; S119-E123 WeakPolarHBondContact O-CB 3.19Å; S119-E123 WeakPolarHBondContact O-CG 3.29Å; S119-E123 PolarHBondContact O-N 2.94Å; S119-E123 PolarHBondContact OG-OE1 2.89Å |
| 120 | E | 98.7 | Very high | 98.6 | Very high | 103 Ų | 103 | 97.8 Ų | 97.8 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | -179.7 | -71.6 | 166.1 | -167.3 | 0 | 0 | 112.1 | Q116 K117 S124 | Q116-E120 WeakPolarHBondContact CG-OE1 3.45Å; Q116-E120 PolarHBondContact NE2-OE1 2.84Å; Q116-E120 VanDerWaalsContact NE2-OE1 3.11Å; Q116-E120 WeakPolarHBondContact O-CG 3.2Å; Q116-E120 PolarHBondContact O-N 2.97Å; K117-E120 PolarHBondContact O-N 2.99Å; E120-S124 WeakPolarHBondContact O-CB 3.36Å; E120-S124 PolarHBondContact O-N 3.37Å |
| 121 | I | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 94.8 Ų | 94.8 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 175.8 | -68.3 | 164.1 | 0 | 0 | 0 | 110.3 | K117 E118 S119 E123 S124 V125 | K117-I121 WeakPolarHBondContact O-CD1 3.47Å; K117-I121 VanDerWaalsContact O-CG1 3.23Å; K117-I121 WeakPolarHBondContact O-CG1 3.46Å; K117-I121 PolarHBondContact O-N 2.96Å; E118-I121 PolarHBondContact O-N 3.38Å; S119-I121 VanDerWaalsContact C-N 3.33Å; S119-I121 PolarHBondContact O-N 3.39Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-E123 PolarHBondContact O-N 3.46Å; I121-S124 WeakPolarHBondContact O-CB 3.5Å; I121-S124 PolarHBondContact O-N 3.34Å; I121-V125 HydrophobicContact CG2-CG2 4.41Å; I121-V125 WeakPolarHBondContact O-CG2 3.49Å; I121-V125 PolarHBondContact O-N 2.9Å |
| 122 | L | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 92.3 Ų | 92.3 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | -179.6 | -72.2 | 173.7 | 0 | 0 | 0 | 112 | E118 S119 N126 | E118-L122 HydrophobicContact CG-CD1 4.18Å; E118-L122 WeakPolarHBondContact O-CB 3.28Å; E118-L122 VanDerWaalsContact O-CG 3.28Å; E118-L122 WeakPolarHBondContact O-CG 3.41Å; E118-L122 PolarHBondContact O-N 3.49Å; S119-L122 PolarHBondContact O-N 3.02Å; L122-N126 WeakPolarHBondContact O-CB 3.41Å; L122-N126 PolarHBondContact O-N 3.11Å |
| 123 | E | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 174.9 | -76.2 | 169.1 | -147.2 | 0 | 0 | 111.6 | S119 I121 N126 S127 | S119-E123 WeakPolarHBondContact O-CB 3.19Å; S119-E123 WeakPolarHBondContact O-CG 3.29Å; S119-E123 PolarHBondContact O-N 2.94Å; S119-E123 PolarHBondContact OG-OE1 2.89Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-E123 PolarHBondContact O-N 3.46Å; E123-N126 PolarHBondContact O-N 3.18Å; E123-S127 WeakPolarHBondContact O-CB 3.29Å; E123-S127 PolarHBondContact O-N 3.26Å |
| 124 | S | 98.6 | Very high | 98.5 | Very high | 68 Ų | 68 | 93 Ų | 93 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -53.3 | 175 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | E120 I121 N126 S127 E128 | E120-S124 WeakPolarHBondContact O-CB 3.36Å; E120-S124 PolarHBondContact O-N 3.37Å; I121-S124 WeakPolarHBondContact O-CB 3.5Å; I121-S124 PolarHBondContact O-N 3.34Å; S124-N126 VanDerWaalsContact C-N 3.3Å; S124-N126 PolarHBondContact O-N 3.45Å; S124-S127 PolarHBondContact O-N 3.15Å; S124-S127 VanDerWaalsContact O-N 3.14Å; S124-S127 PolarHBondContact O-OG 3.37Å; S124-E128 PolarHBondContact O-N 3.25Å |
| 125 | V | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 94 Ų | 94 | 39% | 0.394 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | I121 E128 L129 | I121-V125 HydrophobicContact CG2-CG2 4.41Å; I121-V125 WeakPolarHBondContact O-CG2 3.49Å; I121-V125 PolarHBondContact O-N 2.9Å; V125-E128 PolarHBondContact O-N 2.92Å; V125-L129 HydrophobicContact CG1-CD1 3.95Å; V125-L129 HydrophobicContact CG1-CG 4.32Å; V125-L129 WeakPolarHBondContact O-CB 3.22Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.2Å |
| 126 | N | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 43% | 0.428 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.7 | -170.5 | -66 | 0 | 0 | 0 | 111.5 | L122 E123 S124 E128 L129 K130 | L122-N126 WeakPolarHBondContact O-CB 3.41Å; L122-N126 PolarHBondContact O-N 3.11Å; E123-N126 PolarHBondContact O-N 3.18Å; S124-N126 VanDerWaalsContact C-N 3.3Å; S124-N126 PolarHBondContact O-N 3.45Å; N126-E128 VanDerWaalsContact C-N 3.35Å; N126-L129 PolarHBondContact O-N 2.94Å; N126-K130 WeakPolarHBondContact O-CB 3.08Å; N126-K130 WeakPolarHBondContact O-CG 3.3Å; N126-K130 PolarHBondContact O-N 3.37Å; N126-K130 VanDerWaalsContact OD1-CD 3.29Å; N126-K130 WeakPolarHBondContact OD1-CD 3.34Å; N126-K130 WeakPolarHBondContact OD1-CE 3.49Å; N126-K130 PolarHBondContact OD1-NZ 3.37Å |
| 127 | S | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 94.7 Ų | 94.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | E123 S124 K130 A131 | E123-S127 WeakPolarHBondContact O-CB 3.29Å; E123-S127 PolarHBondContact O-N 3.26Å; S124-S127 PolarHBondContact O-N 3.15Å; S124-S127 VanDerWaalsContact O-N 3.14Å; S124-S127 PolarHBondContact O-OG 3.37Å; S127-K130 PolarHBondContact O-N 3.41Å; S127-A131 PolarHBondContact O-N 3.02Å |
| 128 | E | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 91.6 Ų | 91.6 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 177.3 | -171.4 | -175.3 | 168.5 | 0 | 0 | 111.6 | S124 V125 N126 K130 A131 Q132 | S124-E128 PolarHBondContact O-N 3.25Å; V125-E128 PolarHBondContact O-N 2.92Å; N126-E128 VanDerWaalsContact C-N 3.35Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 2.96Å; E128-A131 PolarHBondContact O-N 2.8Å; E128-Q132 WeakPolarHBondContact O-CG 3.48Å; E128-Q132 PolarHBondContact O-N 3.2Å; E128-Q132 PolarHBondContact OE1-NE2 2.97Å |
| 129 | L | 98.7 | Very high | 97.9 | Very high | 96 Ų | 96 | 90.1 Ų | 90.1 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 177.5 | -72.2 | 174.6 | 0 | 0 | 0 | 112 | V125 N126 Q132 V133 | V125-L129 HydrophobicContact CG1-CD1 3.95Å; V125-L129 HydrophobicContact CG1-CG 4.32Å; V125-L129 WeakPolarHBondContact O-CB 3.22Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.2Å; N126-L129 PolarHBondContact O-N 2.94Å; L129-Q132 PolarHBondContact O-N 3.4Å; L129-V133 VanDerWaalsContact O-CG2 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.38Å; L129-V133 PolarHBondContact O-N 3.43Å |
| 130 | K | 98.1 | Very high | 97.7 | Very high | 136 Ų | 136 | 94.1 Ų | 94.1 | 59% | 0.591 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 174.4 | -78.9 | 172.8 | 173.8 | 161.4 | 0 | 111.7 | N126 S127 E128 Q132 V133 E134 | N126-K130 WeakPolarHBondContact O-CB 3.08Å; N126-K130 WeakPolarHBondContact O-CG 3.3Å; N126-K130 PolarHBondContact O-N 3.37Å; N126-K130 VanDerWaalsContact OD1-CD 3.29Å; N126-K130 WeakPolarHBondContact OD1-CD 3.34Å; N126-K130 WeakPolarHBondContact OD1-CE 3.49Å; N126-K130 PolarHBondContact OD1-NZ 3.37Å; S127-K130 PolarHBondContact O-N 3.41Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 2.96Å; K130-Q132 VanDerWaalsContact C-N 3.35Å; K130-Q132 PolarHBondContact O-N 2.98Å; K130-V133 PolarHBondContact O-N 3.06Å; K130-E134 PolarHBondContact O-N 3.48Å |
| 131 | A | 98.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S127 E128 V133 E134 E135 | S127-A131 PolarHBondContact O-N 3.02Å; E128-A131 PolarHBondContact O-N 2.8Å; A131-V133 PolarHBondContact O-N 3.44Å; A131-E134 PolarHBondContact O-N 2.9Å; A131-E135 WeakPolarHBondContact O-CB 3.35Å; A131-E135 PolarHBondContact O-N 3.04Å |
| 132 | Q | 98.6 | Very high | 96.9 | Very high | 95 Ų | 95 | 95.3 Ų | 95.3 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.3 | -69.2 | -179.6 | 31 | 0 | 0 | 112.3 | E128 L129 K130 E134 E135 L136 | E128-Q132 WeakPolarHBondContact O-CG 3.48Å; E128-Q132 PolarHBondContact O-N 3.2Å; E128-Q132 PolarHBondContact OE1-NE2 2.97Å; L129-Q132 PolarHBondContact O-N 3.4Å; K130-Q132 VanDerWaalsContact C-N 3.35Å; K130-Q132 PolarHBondContact O-N 2.98Å; Q132-E134 VanDerWaalsContact C-N 3.35Å; Q132-E135 PolarHBondContact O-N 3.08Å; Q132-L136 WeakPolarHBondContact O-CB 3.41Å; Q132-L136 VanDerWaalsContact O-CG 3.28Å; Q132-L136 WeakPolarHBondContact O-CG 3.45Å; Q132-L136 PolarHBondContact O-N 3.29Å |
| 133 | V | 98.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 95 Ų | 95 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.6 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | L129 K130 A131 K137 | L129-V133 VanDerWaalsContact O-CG2 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.38Å; L129-V133 PolarHBondContact O-N 3.43Å; K130-V133 PolarHBondContact O-N 3.06Å; A131-V133 PolarHBondContact O-N 3.44Å; V133-K137 HydrophobicContact CG1-CD 4.23Å; V133-K137 WeakPolarHBondContact O-CB 3.36Å; V133-K137 VanDerWaalsContact O-CG 3.3Å; V133-K137 WeakPolarHBondContact O-CG 3.34Å; V133-K137 PolarHBondContact O-N 3.49Å |
| 134 | E | 97.6 | Very high | 96.1 | Very high | 87 Ų | 87 | 91.6 Ų | 91.6 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 177.5 | -175.4 | 170.1 | -157 | 0 | 0 | 111.8 | K130 A131 Q132 L136 K137 N138 | K130-E134 PolarHBondContact O-N 3.48Å; A131-E134 PolarHBondContact O-N 2.9Å; Q132-E134 VanDerWaalsContact C-N 3.35Å; E134-L136 PolarHBondContact O-N 2.82Å; E134-K137 WeakPolarHBondContact O-CB 3.46Å; E134-K137 PolarHBondContact O-N 2.86Å; E134-K137 VanDerWaalsContact O-N 3.14Å; E134-N138 PolarHBondContact O-N 3.44Å |
| 135 | E | 98.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.3 | 178.8 | 55.2 | -155.4 | 0 | 0 | 111.6 | A131 Q132 K137 N138 Q139 | A131-E135 WeakPolarHBondContact O-CB 3.35Å; A131-E135 PolarHBondContact O-N 3.04Å; Q132-E135 PolarHBondContact O-N 3.08Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 3.48Å; E135-N138 WeakPolarHBondContact O-CB 3.26Å; E135-N138 PolarHBondContact O-N 3.1Å; E135-N138 VanDerWaalsContact O-N 3.17Å; E135-Q139 WeakPolarHBondContact O-CG 3.4Å; E135-Q139 PolarHBondContact O-N 3.39Å; E135-Q139 PolarHBondContact OE1-NE2 2.78Å |
| 136 | L | 98.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 96.8 Ų | 96.8 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.9 | -36.2 | 176.8 | -71.8 | 172.4 | 0 | 0 | 0 | 112.6 | Q132 E134 K140 | Q132-L136 WeakPolarHBondContact O-CB 3.41Å; Q132-L136 VanDerWaalsContact O-CG 3.28Å; Q132-L136 WeakPolarHBondContact O-CG 3.45Å; Q132-L136 PolarHBondContact O-N 3.29Å; E134-L136 PolarHBondContact O-N 2.82Å; L136-K140 WeakPolarHBondContact O-CB 3.37Å; L136-K140 PolarHBondContact O-N 2.88Å |
| 137 | K | 95.2 | Very high | 94.2 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.2 | -78.2 | 175 | 177.2 | -178.5 | 0 | 110.9 | V133 E134 E135 K140 Q141 | V133-K137 HydrophobicContact CG1-CD 4.23Å; V133-K137 WeakPolarHBondContact O-CB 3.36Å; V133-K137 VanDerWaalsContact O-CG 3.3Å; V133-K137 WeakPolarHBondContact O-CG 3.34Å; V133-K137 PolarHBondContact O-N 3.49Å; E134-K137 WeakPolarHBondContact O-CB 3.46Å; E134-K137 PolarHBondContact O-N 2.86Å; E134-K137 VanDerWaalsContact O-N 3.14Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 3.48Å; K137-K140 PolarHBondContact O-N 2.79Å; K137-Q141 WeakPolarHBondContact O-CG 3.4Å; K137-Q141 PolarHBondContact O-N 3.38Å |
| 138 | N | 93.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 97.2 Ų | 97.2 | 34% | 0.342 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 178.1 | -70.2 | -19.5 | 0 | 0 | 0 | 111.3 | E134 E135 K140 Q141 Q142 | E134-N138 PolarHBondContact O-N 3.44Å; E135-N138 WeakPolarHBondContact O-CB 3.26Å; E135-N138 PolarHBondContact O-N 3.1Å; E135-N138 VanDerWaalsContact O-N 3.17Å; N138-K140 PolarHBondContact O-N 2.91Å; N138-Q141 PolarHBondContact O-N 3.01Å; N138-Q142 WeakPolarHBondContact O-CG 3.43Å; N138-Q142 PolarHBondContact O-N 3.1Å |
| 139 | Q | 95.9 | Very high | 92.4 | Very high | 84 Ų | 84 | 97.5 Ų | 97.5 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.7 | -70 | 177.2 | 6.6 | 0 | 0 | 111.9 | E135 Q141 Q142 L143 | E135-Q139 WeakPolarHBondContact O-CG 3.4Å; E135-Q139 PolarHBondContact O-N 3.39Å; E135-Q139 PolarHBondContact OE1-NE2 2.78Å; Q139-Q141 PolarHBondContact O-N 3.32Å; Q139-Q142 PolarHBondContact O-N 3.24Å; Q139-L143 WeakPolarHBondContact O-CG 3.49Å; Q139-L143 PolarHBondContact O-N 3.47Å |
| 140 | K | 93.4 | Very high | 91.6 | Very high | 131 Ų | 131 | 97.8 Ų | 97.8 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58 | -48.3 | 174.1 | 177.5 | -169.5 | 170.1 | -173.9 | 0 | 111.2 | L136 K137 N138 Q142 L143 V144 | L136-K140 WeakPolarHBondContact O-CB 3.37Å; L136-K140 PolarHBondContact O-N 2.88Å; K137-K140 PolarHBondContact O-N 2.79Å; N138-K140 PolarHBondContact O-N 2.91Å; K140-Q142 VanDerWaalsContact C-N 3.34Å; K140-Q142 PolarHBondContact O-N 3.29Å; K140-L143 PolarHBondContact O-N 3.29Å; K140-V144 HydrophobicContact CG-CG2 4.37Å; K140-V144 WeakPolarHBondContact O-CB 3.23Å; K140-V144 VanDerWaalsContact O-CG2 3.28Å; K140-V144 WeakPolarHBondContact O-CG2 3.16Å; K140-V144 PolarHBondContact O-N 3.28Å |
| 141 | Q | 90.8 | Very high | 90.5 | Very high | 106 Ų | 106 | 94.2 Ų | 94.2 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 179.8 | -73.9 | 175.5 | 9 | 0 | 0 | 111.5 | K137 N138 Q139 V144 Y145 | K137-Q141 WeakPolarHBondContact O-CG 3.4Å; K137-Q141 PolarHBondContact O-N 3.38Å; N138-Q141 PolarHBondContact O-N 3.01Å; Q139-Q141 PolarHBondContact O-N 3.32Å; Q141-V144 PolarHBondContact O-N 2.8Å; Q141-Y145 WeakPolarHBondContact O-CB 3.46Å; Q141-Y145 PolarHBondContact O-N 3.46Å |
| 142 | Q | 90.9 | Very high | 89.5 | Confident | 128 Ų | 128 | 96.6 Ų | 96.6 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 175.9 | -72.2 | -179 | -0 | 0 | 0 | 112.3 | N138 Q139 K140 Y145 M146 | N138-Q142 WeakPolarHBondContact O-CG 3.43Å; N138-Q142 PolarHBondContact O-N 3.1Å; Q139-Q142 PolarHBondContact O-N 3.24Å; K140-Q142 VanDerWaalsContact C-N 3.34Å; K140-Q142 PolarHBondContact O-N 3.29Å; Q142-Y145 WeakPolarHBondContact O-CB 3.33Å; Q142-Y145 PolarHBondContact O-N 2.74Å; Q142-M146 WeakPolarHBondContact O-CG 3.03Å; Q142-M146 PolarHBondContact O-N 3.33Å |
| 143 | L | 92.5 | Very high | 88.5 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.6 | -72.2 | 174.8 | 0 | 0 | 0 | 111.7 | Q139 K140 Y145 M146 L147 | Q139-L143 WeakPolarHBondContact O-CG 3.49Å; Q139-L143 PolarHBondContact O-N 3.47Å; K140-L143 PolarHBondContact O-N 3.29Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 3.47Å; L143-M146 HydrophobicContact CD2-CE 3.67Å; L143-M146 PolarHBondContact O-N 2.83Å; L143-L147 WeakPolarHBondContact O-CG 3.44Å; L143-L147 PolarHBondContact O-N 3.33Å |
| 144 | V | 85.9 | Confident | 87.7 | Confident | 49 Ų | 49 | 94.3 Ų | 94.3 | 30% | 0.297 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | K140 Q141 L147 N148 | K140-V144 HydrophobicContact CG-CG2 4.37Å; K140-V144 WeakPolarHBondContact O-CB 3.23Å; K140-V144 VanDerWaalsContact O-CG2 3.28Å; K140-V144 WeakPolarHBondContact O-CG2 3.16Å; K140-V144 PolarHBondContact O-N 3.28Å; Q141-V144 PolarHBondContact O-N 2.8Å; V144-L147 PolarHBondContact O-N 2.79Å; V144-N148 WeakPolarHBondContact O-CB 3.44Å; V144-N148 VanDerWaalsContact O-CG 3.25Å; V144-N148 PolarHBondContact O-N 2.99Å; V144-N148 PolarHBondContact O-ND2 3.49Å |
| 145 | Y | 82.9 | Confident | 86.5 | Confident | 132 Ų | 132 | 96.5 Ų | 96.5 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 175.7 | 173.1 | -102.1 | 0 | 0 | 0 | 111.9 | Q141 Q142 L143 L147 N148 L149 F171 | Q141-Y145 WeakPolarHBondContact O-CB 3.46Å; Q141-Y145 PolarHBondContact O-N 3.46Å; Q142-Y145 WeakPolarHBondContact O-CB 3.33Å; Q142-Y145 PolarHBondContact O-N 2.74Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 3.47Å; Y145-L147 PolarHBondContact O-N 2.91Å; Y145-N148 PolarHBondContact O-N 3.28Å; Y145-L149 PolarHBondContact O-N 2.85Å; Y145-F171 HydrophobicContact CD2-CZ 4.37Å |
| 146 | M | 88.6 | Confident | 85.2 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.8 | -71.6 | -165.8 | -62 | 0 | 0 | 112.4 | Q142 L143 N148 L149 H150 | Q142-M146 WeakPolarHBondContact O-CG 3.03Å; Q142-M146 PolarHBondContact O-N 3.33Å; L143-M146 HydrophobicContact CD2-CE 3.67Å; L143-M146 PolarHBondContact O-N 2.83Å; M146-N148 VanDerWaalsContact C-N 3.31Å; M146-N148 PolarHBondContact O-N 3.35Å; M146-L149 PolarHBondContact O-N 3.31Å; M146-H150 PolarHBondContact O-N 2.89Å |
| 147 | L | 86.1 | Confident | 83.5 | Confident | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 176.2 | -73.2 | 175.5 | 0 | 0 | 0 | 111.7 | L143 V144 Y145 L149 H150 R151 | L143-L147 WeakPolarHBondContact O-CG 3.44Å; L143-L147 PolarHBondContact O-N 3.33Å; V144-L147 PolarHBondContact O-N 2.79Å; Y145-L147 PolarHBondContact O-N 2.91Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-H150 PolarHBondContact O-N 3.43Å; L147-R151 PolarHBondContact O-N 3.49Å |
| 148 | N | 76.8 | Confident | 81.6 | Confident | 49 Ų | 49 | 95.7 Ų | 95.7 | 26% | 0.262 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 177.6 | -74.6 | -21.2 | 0 | 0 | 0 | 112.4 | V144 Y145 M146 H150 R151 P152 F171 | V144-N148 WeakPolarHBondContact O-CB 3.44Å; V144-N148 VanDerWaalsContact O-CG 3.25Å; V144-N148 PolarHBondContact O-N 2.99Å; V144-N148 PolarHBondContact O-ND2 3.49Å; Y145-N148 PolarHBondContact O-N 3.28Å; M146-N148 VanDerWaalsContact C-N 3.31Å; M146-N148 PolarHBondContact O-N 3.35Å; N148-H150 VanDerWaalsContact C-N 3.35Å; N148-R151 PolarHBondContact O-N 2.82Å; N148-P152 VanDerWaalsContact O-CD 3.31Å; N148-P152 WeakPolarHBondContact O-CD 3.42Å; N148-F171 WeakPolarHBondContact ND2-CD2 3.45Å |
| 149 | L | 81 | Confident | 79.8 | Confident | 118 Ų | 118 | 100.1 Ų | 100.1 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.5 | -35.6 | 174.6 | -168.6 | 67.5 | 0 | 0 | 0 | 112.2 | Y145 M146 L147 P152 | Y145-L149 PolarHBondContact O-N 2.85Å; M146-L149 PolarHBondContact O-N 3.31Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L149-P152 WeakPolarHBondContact O-CD 3.48Å |
| 150 | H | 82.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 102.7 Ų | 102.7 | 47% | 0.468 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75 | -32 | 176.3 | 178.8 | 65.8 | 0 | 0 | 0 | 113.2 | M146 L147 N148 P152 T153 C154 | M146-H150 PolarHBondContact O-N 2.89Å; L147-H150 PolarHBondContact O-N 3.43Å; N148-H150 VanDerWaalsContact C-N 3.35Å; H150-P152 VanDerWaalsContact C-CD 3.42Å; H150-P152 VanDerWaalsContact O-N 3.15Å; H150-T153 CarbonylContact O-C 3.5Å; H150-T153 PolarHBondContact O-N 3.38Å; H150-T153 PolarHBondContact O-OG1 2.88Å; H150-C154 PolarHBondContact O-N 3.47Å |
| 151 | R | 75.3 | Confident | 75.9 | Confident | 61 Ų | 61 | 99.2 Ų | 99.2 | 23% | 0.23 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -42.3 | -171.9 | -149.7 | -179.3 | -172.2 | 113.2 | -5.3 | 114.6 | L147 N148 C154 R157 T163 E167 | L147-R151 PolarHBondContact O-N 3.49Å; N148-R151 PolarHBondContact O-N 2.82Å; R151-C154 WeakPolarHBondContact O-CB 3.42Å; R151-R157 VanDerWaalsContact NE-CZ 3.26Å; R151-R157 VanDerWaalsContact NE-NH1 3.18Å; R151-T163 HydrophobicContact CG-CG2 4.24Å; R151-E167 IonicContact CZ-OE2 2.75Å; R151-E167 IonicContact NE-OE2 3.84Å; R151-E167 PolarHBondContact NE-OE2 3.4Å; R151-E167 VanDerWaalsContact NE-OE2 3.13Å; R151-E167 IonicContact NH2-OE1 2.87Å; R151-E167 PolarHBondContact NH2-OE1 2.95Å; R151-E167 IonicContact NH2-OE2 3.13Å; R151-E167 PolarHBondContact NH2-OE2 2.99Å |
| 152 | P | 76.7 | Confident | 74.2 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 69% | 0.688 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24.7 | 178.8 | -17.9 | 32.8 | 0 | 0 | 0 | 114.4 | N148 L149 H150 | N148-P152 VanDerWaalsContact O-CD 3.31Å; N148-P152 WeakPolarHBondContact O-CD 3.42Å; L149-P152 WeakPolarHBondContact O-CD 3.48Å; H150-P152 VanDerWaalsContact C-CD 3.42Å; H150-P152 VanDerWaalsContact O-N 3.15Å |
| 153 | T | 78.8 | Confident | 72.4 | Confident | 101 Ų | 101 | 99.4 Ų | 99.4 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -2.2 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | H150 I155 | H150-T153 CarbonylContact O-C 3.5Å; H150-T153 PolarHBondContact O-N 3.38Å; H150-T153 PolarHBondContact O-OG1 2.88Å; T153-I155 PolarHBondContact O-N 2.96Å |
| 154 | C | 80.7 | Confident | 70.9 | Confident | 22 Ų | 22 | 97.5 Ų | 97.5 | 15% | 0.149 | 53% | 0.528 | C | S | . | . | trans | -68.1 | 112.1 | -178.8 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | H150 R151 V156 R157 A158 | H150-C154 PolarHBondContact O-N 3.47Å; R151-C154 WeakPolarHBondContact O-CB 3.42Å; C154-V156 PolarHBondContact O-N 2.78Å; C154-V156 VanDerWaalsContact O-N 3.16Å; C154-R157 HydrophobicContact CB-CB 4.4Å; C154-R157 PolarHBondContact O-N 3.05Å; C154-A158 PolarHBondContact O-N 2.83Å | ||
| 155 | I | 71.1 | Confident | 69.6 | Low | 133 Ų | 133 | 101 Ų | 101 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.7 | -29.9 | -179.8 | -61 | 165 | 0 | 0 | 0 | 111.9 | T153 R157 A158 | T153-I155 PolarHBondContact O-N 2.96Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 3Å; I155-A158 PolarHBondContact O-N 2.68Å |
| 156 | V | 71.3 | Confident | 68.4 | Low | 118 Ų | 118 | 100.2 Ų | 100.2 | 72% | 0.715 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.3 | -30.1 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | C154 | C154-V156 PolarHBondContact O-N 2.78Å; C154-V156 VanDerWaalsContact O-N 3.16Å |
| 157 | R | 62.8 | Low | 67 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 39% | 0.389 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -92.2 | -23.1 | 175.6 | -75.2 | -170.9 | -174.5 | -120.1 | 0.5 | 113.8 | R151 C154 I155 Q159 N160 G161 E167 | R151-R157 VanDerWaalsContact NE-CZ 3.26Å; R151-R157 VanDerWaalsContact NE-NH1 3.18Å; C154-R157 HydrophobicContact CB-CB 4.4Å; C154-R157 PolarHBondContact O-N 3.05Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 3Å; R157-Q159 PolarHBondContact O-N 2.97Å; R157-N160 CarbonylContact O-C 3.56Å; R157-N160 PolarHBondContact O-N 3.32Å; R157-G161 PolarHBondContact O-N 3.19Å; R157-E167 IonicContact NH1-OE2 2.9Å |
| 158 | A | 56.4 | Low | 66 | Low | 81 Ų | 81 | 100 Ų | 100 | 67% | 0.669 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.7 | -22.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C154 I155 | C154-A158 PolarHBondContact O-N 2.83Å; I155-A158 PolarHBondContact O-N 2.68Å |
| 159 | Q | 54.1 | Low | 65.3 | Low | 157 Ų | 157 | 102 Ų | 102 | 73% | 0.734 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16.5 | 176 | -60.2 | -174.1 | 36.2 | 0 | 0 | 113.8 | R157 | R157-Q159 PolarHBondContact O-N 2.97Š|
| 160 | N | 55.9 | Low | 64.6 | Low | 138 Ų | 138 | 101.4 Ų | 101.4 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -123.8 | 34.3 | -176 | -66.8 | 42.6 | 0 | 0 | 0 | 111.3 | R157 Q162 | R157-N160 CarbonylContact O-C 3.56Å; R157-N160 PolarHBondContact O-N 3.32Å; N160-Q162 PolarHBondContact O-N 3.17Å |
| 161 | G | 53.1 | Low | 63.6 | Low | 57 Ų | 57 | 99.7 Ų | 99.7 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | trans | -42.4 | 112.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R157 | R157-G161 PolarHBondContact O-N 3.19Š| ||
| 162 | Q | 53.8 | Low | 63.2 | Low | 177 Ų | 177 | 101 Ų | 101 | 83% | 0.827 | 55% | 0.545 | S | S | * | . | trans | 168.2 | 122.3 | 132.2 | -90.9 | 174.2 | 20.1 | 0 | 0 | 106.7 | N160 P164 | N160-Q162 PolarHBondContact O-N 3.17Å; Q162-P164 VanDerWaalsContact O-CD 3.27Å; Q162-P164 WeakPolarHBondContact O-CD 3.39Å | ||
| 163 | T | 53.8 | Low | 62.8 | Low | 61 Ų | 61 | 101.4 Ų | 101.4 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | trans | -74.4 | 114.3 | 160.4 | 42.7 | 0 | 0 | 0 | 0 | 106.9 | R151 E165 | R151-T163 HydrophobicContact CG-CG2 4.24Å; T163-E165 PolarHBondContact O-N 3.31Å | ||
| 164 | P | 61.7 | Low | 62.1 | Low | 62 Ų | 62 | 101.8 Ų | 101.8 | 40% | 0.403 | 53% | 0.532 | S | S | . | . | trans | -57.6 | 138.8 | 177.2 | -21.1 | 33.1 | 0 | 0 | 0 | 109.7 | Q162 D166 E167 | Q162-P164 VanDerWaalsContact O-CD 3.27Å; Q162-P164 WeakPolarHBondContact O-CD 3.39Å; P164-D166 PolarHBondContact O-N 3.47Å; P164-D166 VanDerWaalsContact O-N 3.09Å; P164-E167 PolarHBondContact O-N 3.47Å | ||
| 165 | E | 58.3 | Low | 61.4 | Low | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.6 | -27.2 | -179.5 | -61 | -157.7 | 128.7 | 0 | 0 | 112.5 | T163 E167 R168 N169 | T163-E165 PolarHBondContact O-N 3.31Å; E165-E167 VanDerWaalsContact C-N 3.27Å; E165-E167 PolarHBondContact O-N 3.25Å; E165-R168 PolarHBondContact O-N 3.33Å; E165-R168 VanDerWaalsContact O-N 3.07Å; E165-R168 IonicContact OE1-NH2 3.21Å; E165-R168 PolarHBondContact OE1-NH2 3Å; E165-N169 PolarHBondContact O-N 2.79Å; E165-N169 PolarHBondContact O-ND2 3.4Å |
| 166 | D | 57.6 | Low | 61.2 | Low | 115 Ų | 115 | 105.2 Ų | 105.2 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -55 | -40 | 173.7 | -58.2 | -32.4 | 0 | 0 | 0 | 112.1 | P164 R168 N169 L170 | P164-D166 PolarHBondContact O-N 3.47Å; P164-D166 VanDerWaalsContact O-N 3.09Å; D166-R168 VanDerWaalsContact C-N 3.35Å; D166-R168 PolarHBondContact O-N 3.18Å; D166-N169 PolarHBondContact O-N 3.3Å; D166-L170 VanDerWaalsContact O-CD1 3.28Å; D166-L170 WeakPolarHBondContact O-CD1 3.41Å; D166-L170 PolarHBondContact O-N 3.29Å |
| 167 | E | 59 | Low | 60.9 | Low | 76 Ų | 76 | 104.4 Ų | 104.4 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.6 | -30.8 | 178.8 | -61.4 | -167.5 | 147.1 | 0 | 0 | 112.4 | R151 R157 P164 E165 F171 | R151-E167 IonicContact CZ-OE2 2.75Å; R151-E167 IonicContact NE-OE2 3.84Å; R151-E167 PolarHBondContact NE-OE2 3.4Å; R151-E167 VanDerWaalsContact NE-OE2 3.13Å; R151-E167 IonicContact NH2-OE1 2.87Å; R151-E167 PolarHBondContact NH2-OE1 2.95Å; R151-E167 IonicContact NH2-OE2 3.13Å; R151-E167 PolarHBondContact NH2-OE2 2.99Å; R157-E167 IonicContact NH1-OE2 2.9Å; P164-E167 PolarHBondContact O-N 3.47Å; E165-E167 VanDerWaalsContact C-N 3.27Å; E165-E167 PolarHBondContact O-N 3.25Å; E167-F171 PolarHBondContact O-N 2.91Å |
| 168 | R | 64.1 | Low | 60.8 | Low | 141 Ų | 141 | 100.6 Ų | 100.6 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.3 | -36.7 | 173.6 | -67.5 | -167.5 | -60.7 | -180 | -1.7 | 111.8 | E165 D166 F171 I172 | E165-R168 PolarHBondContact O-N 3.33Å; E165-R168 VanDerWaalsContact O-N 3.07Å; E165-R168 IonicContact OE1-NH2 3.21Å; E165-R168 PolarHBondContact OE1-NH2 3Å; D166-R168 VanDerWaalsContact C-N 3.35Å; D166-R168 PolarHBondContact O-N 3.18Å; R168-F171 WeakPolarHBondContact O-CB 3.45Å; R168-F171 PolarHBondContact O-N 2.87Å; R168-I172 PolarHBondContact O-N 3.48Å |
| 169 | N | 63.3 | Low | 60.9 | Low | 92 Ų | 92 | 100.6 Ų | 100.6 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 177.5 | -69.6 | -30.1 | 0 | 0 | 0 | 111.3 | E165 D166 F171 I172 Q173 | E165-N169 PolarHBondContact O-N 2.79Å; E165-N169 PolarHBondContact O-ND2 3.4Å; D166-N169 PolarHBondContact O-N 3.3Å; N169-F171 VanDerWaalsContact C-N 3.26Å; N169-F171 PolarHBondContact O-N 2.79Å; N169-I172 PolarHBondContact O-N 3.49Å; N169-Q173 PolarHBondContact O-N 3.48Å |
| 170 | L | 65 | Low | 60.9 | Low | 105 Ų | 105 | 98.1 Ų | 98.1 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.8 | -40.5 | 169.3 | -95.7 | 127.1 | 0 | 0 | 0 | 111.9 | D166 Q173 Q174 | D166-L170 VanDerWaalsContact O-CD1 3.28Å; D166-L170 WeakPolarHBondContact O-CD1 3.41Å; D166-L170 PolarHBondContact O-N 3.29Å; L170-Q173 PolarHBondContact O-N 3.12Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 PolarHBondContact O-N 3.21Å |
| 171 | F | 62.7 | Low | 60.8 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 177 | 175.1 | -105.6 | 0 | 0 | 0 | 113.1 | Y145 N148 E167 R168 N169 Q173 Q174 I175 | Y145-F171 HydrophobicContact CD2-CZ 4.37Å; N148-F171 WeakPolarHBondContact ND2-CD2 3.45Å; E167-F171 PolarHBondContact O-N 2.91Å; R168-F171 WeakPolarHBondContact O-CB 3.45Å; R168-F171 PolarHBondContact O-N 2.87Å; N169-F171 VanDerWaalsContact C-N 3.26Å; N169-F171 PolarHBondContact O-N 2.79Å; F171-Q173 VanDerWaalsContact C-N 3.31Å; F171-Q173 PolarHBondContact O-N 2.66Å; F171-Q174 PolarHBondContact O-N 3.07Å; F171-I175 HydrophobicContact CD1-CD1 4.27Å; F171-I175 HydrophobicContact CD2-CD1 4.38Å; F171-I175 HydrophobicContact CE1-CD1 3.64Å; F171-I175 HydrophobicContact CE2-CD1 3.78Å; F171-I175 HydrophobicContact CE2-CG1 4.36Å; F171-I175 HydrophobicContact CZ-CD1 3.38Å; F171-I175 HydrophobicContact CZ-CG1 4.4Å; F171-I175 WeakPolarHBondContact O-CG1 3.39Å; F171-I175 PolarHBondContact O-N 3.32Å; F171-I175 VanDerWaalsContact O-N 3.08Å |
| 172 | I | 67.4 | Low | 60.8 | Low | 89 Ų | 89 | 98.3 Ų | 98.3 | 46% | 0.456 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 177.9 | -64.8 | 177.1 | 0 | 0 | 0 | 110.8 | R168 N169 K176 | R168-I172 PolarHBondContact O-N 3.48Å; N169-I172 PolarHBondContact O-N 3.49Å; I172-K176 HydrophobicContact CG2-CD 4.29Å; I172-K176 WeakPolarHBondContact O-CG 3.36Å; I172-K176 PolarHBondContact O-N 2.9Å; I172-K176 VanDerWaalsContact O-N 3.09Å |
| 173 | Q | 67 | Low | 60.6 | Low | 113 Ų | 113 | 95.5 Ų | 95.5 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 177.3 | -173.1 | 168.7 | -1.2 | 0 | 0 | 111.7 | N169 L170 F171 I175 K176 E177 | N169-Q173 PolarHBondContact O-N 3.48Å; L170-Q173 PolarHBondContact O-N 3.12Å; F171-Q173 VanDerWaalsContact C-N 3.31Å; F171-Q173 PolarHBondContact O-N 2.66Å; Q173-I175 PolarHBondContact O-N 2.86Å; Q173-K176 PolarHBondContact O-N 3.05Å; Q173-E177 HydrophobicContact CG-CG 4.5Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.49Å; Q173-E177 PolarHBondContact NE2-OE1 2.96Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.14Å; Q173-E177 WeakPolarHBondContact O-CB 3.48Å; Q173-E177 WeakPolarHBondContact O-CG 3.5Å; Q173-E177 PolarHBondContact O-N 2.79Å |
| 174 | Q | 64.5 | Low | 60.3 | Low | 109 Ų | 109 | 98.6 Ų | 98.6 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70 | -32.2 | -178.9 | -137.5 | 155.8 | 16.7 | 0 | 0 | 113.1 | L170 F171 G178 | L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 PolarHBondContact O-N 3.21Å; F171-Q174 PolarHBondContact O-N 3.07Å; Q174-G178 PolarHBondContact O-N 2.97Å |
| 175 | I | 67.3 | Low | 59.7 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 170 | -70.9 | -174.5 | 0 | 0 | 0 | 110.6 | F171 Q173 E177 G178 T179 | F171-I175 HydrophobicContact CD1-CD1 4.27Å; F171-I175 HydrophobicContact CD2-CD1 4.38Å; F171-I175 HydrophobicContact CE1-CD1 3.64Å; F171-I175 HydrophobicContact CE2-CD1 3.78Å; F171-I175 HydrophobicContact CE2-CG1 4.36Å; F171-I175 HydrophobicContact CZ-CD1 3.38Å; F171-I175 HydrophobicContact CZ-CG1 4.4Å; F171-I175 WeakPolarHBondContact O-CG1 3.39Å; F171-I175 PolarHBondContact O-N 3.32Å; F171-I175 VanDerWaalsContact O-N 3.08Å; Q173-I175 PolarHBondContact O-N 2.86Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.16Å; I175-G178 PolarHBondContact O-N 3.34Å; I175-T179 PolarHBondContact O-N 3.08Å; I175-T179 PolarHBondContact O-OG1 2.92Å; I175-T179 VanDerWaalsContact O-OG1 3.07Å |
| 176 | K | 66.1 | Low | 59.2 | Low | 137 Ų | 137 | 99.4 Ų | 99.4 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 177.4 | -76.7 | 177.2 | 177.1 | -177.6 | 0 | 112.3 | I172 Q173 G178 T179 L180 | I172-K176 HydrophobicContact CG2-CD 4.29Å; I172-K176 WeakPolarHBondContact O-CG 3.36Å; I172-K176 PolarHBondContact O-N 2.9Å; I172-K176 VanDerWaalsContact O-N 3.09Å; Q173-K176 PolarHBondContact O-N 3.05Å; K176-G178 VanDerWaalsContact C-N 3.35Å; K176-T179 PolarHBondContact O-N 3.21Å; K176-L180 WeakPolarHBondContact O-CG 3.48Å; K176-L180 PolarHBondContact O-N 3.19Å; K176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | E | 64.3 | Low | 58.7 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 176.6 | -72.8 | 171.9 | -171.7 | 0 | 0 | 112.4 | Q173 I175 H181 | Q173-E177 HydrophobicContact CG-CG 4.5Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.49Å; Q173-E177 PolarHBondContact NE2-OE1 2.96Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.14Å; Q173-E177 WeakPolarHBondContact O-CB 3.48Å; Q173-E177 WeakPolarHBondContact O-CG 3.5Å; Q173-E177 PolarHBondContact O-N 2.79Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.16Å; E177-H181 PolarHBondContact O-N 3.21Å |
| 178 | G | 61.3 | Low | 58.2 | Low | 23 Ų | 23 | 105.1 Ų | 105.1 | 24% | 0.237 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q174 I175 K176 H181 M182 | Q174-G178 PolarHBondContact O-N 2.97Å; I175-G178 PolarHBondContact O-N 3.34Å; K176-G178 VanDerWaalsContact C-N 3.35Å; G178-H181 PolarHBondContact O-N 3.19Å; G178-M182 PolarHBondContact O-N 2.75Å |
| 179 | T | 58.5 | Low | 57.5 | Low | 81 Ų | 81 | 106 Ų | 106 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | I175 K176 H181 M182 E183 | I175-T179 PolarHBondContact O-N 3.08Å; I175-T179 PolarHBondContact O-OG1 2.92Å; I175-T179 VanDerWaalsContact O-OG1 3.07Å; K176-T179 PolarHBondContact O-N 3.21Å; T179-H181 VanDerWaalsContact C-N 3.3Å; T179-H181 PolarHBondContact O-N 2.81Å; T179-M182 PolarHBondContact O-N 2.89Å; T179-E183 PolarHBondContact O-N 2.69Å |
| 180 | L | 54 | Low | 56.6 | Low | 105 Ų | 105 | 107.2 Ų | 107.2 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -30.4 | 178.2 | -70.8 | 171.5 | 0 | 0 | 0 | 113.3 | K176 Q184 | K176-L180 WeakPolarHBondContact O-CG 3.48Å; K176-L180 PolarHBondContact O-N 3.19Å; K176-L180 VanDerWaalsContact O-N 3.09Å; L180-Q184 PolarHBondContact O-N 2.7Å |
| 181 | H | 54.9 | Low | 55.6 | Low | 104 Ų | 104 | 106.9 Ų | 106.9 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.9 | -28.4 | 178.9 | -137.8 | 92.9 | 0 | 0 | 0 | 112.7 | E177 G178 T179 | E177-H181 PolarHBondContact O-N 3.21Å; G178-H181 PolarHBondContact O-N 3.19Å; T179-H181 VanDerWaalsContact C-N 3.3Å; T179-H181 PolarHBondContact O-N 2.81Å |
| 182 | M | 52.1 | Low | 55 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 47% | 0.468 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71 | -39.7 | 173.1 | -78.5 | -96 | 67.7 | 0 | 0 | 111.7 | G178 T179 Q184 L185 | G178-M182 PolarHBondContact O-N 2.75Å; T179-M182 PolarHBondContact O-N 2.89Å; M182-Q184 VanDerWaalsContact C-N 3.28Å; M182-Q184 PolarHBondContact O-N 3.42Å; M182-L185 HydrophobicContact CE-CD1 4.22Å; M182-L185 PolarHBondContact O-N 3.32Å |
| 183 | E | 49.1 | Very low | 54.1 | Low | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65 | -27.9 | 176.1 | -101.9 | 175 | 111.5 | 0 | 0 | 113.7 | T179 | T179-E183 PolarHBondContact O-N 2.69Å |
| 184 | Q | 48.9 | Very low | 53.4 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 59% | 0.589 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.7 | -26.4 | 178.6 | -75.7 | 179.9 | -26 | 0 | 0 | 113.7 | L180 M182 | L180-Q184 PolarHBondContact O-N 2.7Å; M182-Q184 VanDerWaalsContact C-N 3.28Å; M182-Q184 PolarHBondContact O-N 3.42Å |
| 185 | L | 48.6 | Very low | 52.8 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 46% | 0.461 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76 | -33.6 | 175.8 | -84 | 154.2 | 0 | 0 | 0 | 111.8 | M182 H187 H188 | M182-L185 HydrophobicContact CE-CD1 4.22Å; M182-L185 PolarHBondContact O-N 3.32Å; L185-H187 VanDerWaalsContact C-N 3.35Å; L185-H187 PolarHBondContact O-N 2.79Å; L185-H188 PolarHBondContact O-N 3.19Å |
| 186 | D | 48.2 | Very low | 52.2 | Low | 114 Ų | 114 | 112.1 Ų | 112.1 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70 | -28.2 | 177.6 | -75.4 | -26.3 | 0 | 0 | 0 | 113.4 | H188 | D186-H188 PolarHBondContact O-N 2.9Å |
| 187 | H | 47.2 | Very low | 51.1 | Low | 153 Ų | 153 | 109 Ų | 109 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -17.4 | 177.9 | -94.5 | 68.3 | 0 | 0 | 0 | 114.5 | L185 | L185-H187 VanDerWaalsContact C-N 3.35Å; L185-H187 PolarHBondContact O-N 2.79Å |
| 188 | H | 48.2 | Very low | 50.4 | Low | 158 Ų | 158 | 112.8 Ų | 112.8 | 73% | 0.731 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -7.9 | -179.6 | -101.9 | -69.9 | 0 | 0 | 0 | 114.4 | L185 D186 | L185-H188 PolarHBondContact O-N 3.19Å; D186-H188 PolarHBondContact O-N 2.9Å |
| 189 | H | 48.3 | Very low | 49.7 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 73% | 0.731 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99 | -2.9 | 178.5 | -84.3 | -80.4 | 0 | 0 | 0 | 114.8 | ||
| 190 | T | 44.9 | Very low | 49.3 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | trans | -95.2 | -3.1 | -178.2 | 29 | 0 | 0 | 0 | 0 | 115.5 | V192 | T190-V192 PolarHBondContact O-N 3.11Š| ||
| 191 | S | 45.1 | Very low | 49 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -90.7 | 69.3 | 172.5 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | P193 | S191-P193 WeakPolarHBondContact O-CD 3.43Š| ||
| 192 | V | 48.5 | Very low | 48.7 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | -78.8 | 117.9 | 160.5 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | T190 T194 | T190-V192 PolarHBondContact O-N 3.11Å; V192-T194 PolarHBondContact O-N 3Å; V192-T194 VanDerWaalsContact O-N 3.12Å | ||
| 193 | P | 49.4 | Very low | 48.5 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | -72.3 | 108.1 | 171.7 | 27.9 | -29.1 | 0 | 0 | 0 | 108.9 | S191 T195 | S191-P193 WeakPolarHBondContact O-CD 3.43Å; P193-T195 PolarHBondContact O-N 3.49Å | ||
| 194 | T | 51.4 | Low | 48.5 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -64 | 97.8 | 162.8 | -56.9 | 0 | 0 | 0 | 0 | 108.3 | V192 C196 | V192-T194 PolarHBondContact O-N 3Å; V192-T194 VanDerWaalsContact O-N 3.12Å; T194-C196 PolarHBondContact O-N 3.33Å | ||
| 195 | T | 53.5 | Low | 48.4 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -82.2 | 105.3 | 166.3 | 57.5 | 0 | 0 | 0 | 0 | 108.4 | P193 G197 | P193-T195 PolarHBondContact O-N 3.49Å; T195-G197 PolarHBondContact O-N 2.87Å | ||
| 196 | C | 52.7 | Low | 48.4 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | trans | -51.2 | 133 | 168.6 | -74.2 | 0 | 0 | 0 | 0 | 111 | T194 | T194-C196 PolarHBondContact O-N 3.33Š| ||
| 197 | G | 44.8 | Very low | 48.4 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -64.7 | 142.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T195 | T195-G197 PolarHBondContact O-N 2.87Š| ||
| 198 | H | 49.4 | Very low | 48.5 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -127.4 | 138.8 | 156.5 | -87.5 | -65.5 | 0 | 0 | 0 | 109 | ||||
| 199 | H | 46.2 | Very low | 48.6 | Very low | 265 Ų | 265 | 133.5 Ų | 133.5 | 100% | 1.227 | 78% | 0.78 | S | S | * | * | trans | -52.9 | 0 | 176.1 | -76.7 | -101.7 | 0 | 0 | 0 | 113.8 |
Retrieved 199 of 199 residues in 239.4 ms
(Link to these results)