| 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 | 41 | Very low | 54.2 | Low | 232 Ų | 232 | 144.9 Ų | 144.9 | 100% | 1.143 | 78% | 0.784 | S | S | * | * | 0 | 126.3 | 0 | -67.2 | -63.4 | -86.2 | 0 | 0 | 108.1 | |||||
| 2 | P | 49.3 | Very low | 54.1 | Low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -86.4 | 149.5 | -173.2 | 35.2 | -31.3 | 0 | 0 | 0 | 110.9 | ||||
| 3 | V | 55.9 | Low | 54.7 | Low | 116 Ų | 116 | 147.5 Ų | 147.5 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | -129.8 | 89.5 | 155.8 | -168.8 | 0 | 0 | 0 | 0 | 107.1 | H5 | V3-H5 PolarHBondContact O-N 3.35Š| ||
| 4 | T | 60.6 | Low | 54.9 | Low | 121 Ų | 121 | 145.5 Ų | 145.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 113.8 | 161.3 | 41.3 | 0 | 0 | 0 | 0 | 106.7 | R6 | T4-R6 PolarHBondContact O-N 2.85Š| ||
| 5 | H | 55.2 | Low | 55.1 | Low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -72 | 88.9 | 171.9 | -74.9 | -83.5 | 0 | 0 | 0 | 108.9 | V3 K7 | V3-H5 PolarHBondContact O-N 3.35Å; H5-K7 VanDerWaalsContact C-N 3.31Å; H5-K7 PolarHBondContact O-N 2.99Å | ||
| 6 | R | 59.3 | Low | 54.8 | Low | 214 Ų | 214 | 141.6 Ų | 141.6 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -60.4 | 93.4 | 160.1 | -120.1 | -119.3 | 165.9 | -168.3 | -5.4 | 107.3 | T4 S8 | T4-R6 PolarHBondContact O-N 2.85Å; R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.46Å; R6-S8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | K | 55.3 | Low | 55.2 | Low | 201 Ų | 201 | 140.9 Ų | 140.9 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -74.2 | 94.5 | 160.9 | -73.4 | 176.6 | 173.8 | -179.3 | 0 | 105.7 | H5 D9 | H5-K7 VanDerWaalsContact C-N 3.31Å; H5-K7 PolarHBondContact O-N 2.99Å; K7-D9 PolarHBondContact O-N 3.07Å | ||
| 8 | S | 55.3 | Low | 54.6 | Low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | -62.3 | 128.2 | 171.6 | -62 | 0 | 0 | 0 | 0 | 109.1 | R6 A10 | R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.46Å; R6-S8 VanDerWaalsContact O-N 3.07Å; S8-A10 PolarHBondContact O-N 3.4Å | ||
| 9 | D | 56.6 | Low | 54.2 | Low | 168 Ų | 168 | 136.2 Ų | 136.2 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -46.2 | 119.2 | 149.6 | -132.1 | -75.9 | 0 | 0 | 0 | 109 | K7 | K7-D9 PolarHBondContact O-N 3.07Š| ||
| 10 | A | 55.5 | Low | 53.5 | Low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | trans | 164.9 | 108.4 | 157 | 0 | 0 | 0 | 0 | 0 | 109.7 | S8 | S8-A10 PolarHBondContact O-N 3.4Š| ||
| 11 | S | 52.2 | Low | 53.3 | Low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | -162.9 | 103.4 | 125.6 | 62.8 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 12 | D | 53.1 | Low | 53.7 | Low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | -8.1 | 121.7 | 153 | -53.7 | -85.9 | 0 | 0 | 0 | 114.3 | N14 | D12-N14 PolarHBondContact O-N 3.38Š| ||
| 13 | M | 61.6 | Low | 53.9 | Low | 177 Ų | 177 | 134.1 Ų | 134.1 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | -61.1 | 96.7 | 157.5 | -77.2 | -72.7 | 112.8 | 0 | 0 | 106.8 | S15 | M13-S15 PolarHBondContact O-N 2.85Å; M13-S15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | N | 58.3 | Low | 53.6 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | -62.4 | 110.8 | 160.3 | 80.8 | 74.4 | 0 | 0 | 0 | 105.7 | D12 D16 | D12-N14 PolarHBondContact O-N 3.38Å; N14-D16 VanDerWaalsContact C-N 3.32Å; N14-D16 PolarHBondContact O-N 3.2Å; N14-D16 PolarHBondContact OD1-OD2 3.09Å | ||
| 15 | S | 57.1 | Low | 53.2 | Low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -76.4 | 98.6 | 160.7 | -64.9 | 0 | 0 | 0 | 0 | 105 | M13 T17 | M13-S15 PolarHBondContact O-N 2.85Å; M13-S15 VanDerWaalsContact O-N 3.09Å; S15-T17 PolarHBondContact O-N 3.03Å | ||
| 16 | D | 51.6 | Low | 53.1 | Low | 129 Ų | 129 | 140 Ų | 140 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | -65 | 70.7 | 171.5 | -129.2 | -46.2 | 0 | 0 | 0 | 109 | N14 S18 | N14-D16 VanDerWaalsContact C-N 3.32Å; N14-D16 PolarHBondContact O-N 3.2Å; N14-D16 PolarHBondContact OD1-OD2 3.09Å; D16-S18 PolarHBondContact O-N 2.76Å | ||
| 17 | T | 61.3 | Low | 52.7 | Low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -78.8 | 62.4 | 159.2 | 56 | 0 | 0 | 0 | 0 | 107.5 | S15 P19 | S15-T17 PolarHBondContact O-N 3.03Å; T17-P19 VanDerWaalsContact O-CD 3.3Å; T17-P19 WeakPolarHBondContact O-CD 3.48Å | ||
| 18 | S | 44.5 | Very low | 53.4 | Low | 86 Ų | 86 | 137.7 Ų | 137.7 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | trans | -82.9 | 110.5 | 162.4 | -137 | 0 | 0 | 0 | 0 | 105.8 | D16 S20 | D16-S18 PolarHBondContact O-N 2.76Å; S18-S20 PolarHBondContact O-N 3.18Å | ||
| 19 | P | 45.5 | Very low | 53.2 | Low | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -68.9 | 96.2 | 165.2 | 30.1 | -27.7 | 0 | 0 | 0 | 104.3 | T17 C21 | T17-P19 VanDerWaalsContact O-CD 3.3Å; T17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-C21 PolarHBondContact O-N 3.11Å | ||
| 20 | S | 41.6 | Very low | 53.1 | Low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -61.3 | 90.6 | 165.7 | 160.8 | 0 | 0 | 0 | 0 | 106.3 | S18 R22 | S18-S20 PolarHBondContact O-N 3.18Å; S20-R22 PolarHBondContact O-N 2.71Å; S20-R22 WeakPolarHBondContact OG-CG 3.3Å | ||
| 21 | C | 49.8 | Very low | 52.9 | Low | 108 Ų | 108 | 134 Ų | 134 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -61.8 | 69.9 | 166.2 | -69.5 | 0 | 0 | 0 | 0 | 108.8 | P19 L23 | P19-C21 PolarHBondContact O-N 3.11Å; C21-L23 PolarHBondContact O-N 2.76Å; C21-L23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | R | 48.8 | Very low | 53.5 | Low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -82.2 | 82.5 | 160.9 | -77.6 | -174.4 | -175.8 | -134.1 | 2.2 | 105.9 | S20 R24 | S20-R22 PolarHBondContact O-N 2.71Å; S20-R22 WeakPolarHBondContact OG-CG 3.3Å; R22-R24 PolarHBondContact O-N 2.73Å | ||
| 23 | L | 53.5 | Low | 53.3 | Low | 162 Ų | 162 | 138.1 Ų | 138.1 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -47.1 | 91.3 | 151.1 | -92 | 129.9 | 0 | 0 | 0 | 106.9 | C21 A25 | C21-L23 PolarHBondContact O-N 2.76Å; C21-L23 VanDerWaalsContact O-N 3.11Å; L23-A25 PolarHBondContact O-N 2.83Å | ||
| 24 | R | 48.7 | Very low | 52.6 | Low | 232 Ų | 232 | 135.1 Ų | 135.1 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -66.3 | 116.9 | 168.7 | -82.6 | -170.2 | -165 | -132.9 | 4.2 | 105.4 | R22 F26 | R22-R24 PolarHBondContact O-N 2.73Å; R24-F26 PolarHBondContact O-N 3.36Å | ||
| 25 | A | 53 | Low | 53.2 | Low | 82 Ų | 82 | 141.2 Ų | 141.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -41.6 | 136.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L23 S27 | L23-A25 PolarHBondContact O-N 2.83Å; A25-S27 PolarHBondContact O-N 2.76Å | ||
| 26 | F | 53.4 | Low | 52.6 | Low | 212 Ų | 212 | 141.5 Ų | 141.5 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -59.7 | 82.6 | 169.7 | -63 | -84.2 | 0 | 0 | 0 | 110.1 | R24 R28 | R24-F26 PolarHBondContact O-N 3.36Å; F26-R28 PolarHBondContact O-N 3.47Å | ||
| 27 | S | 50.8 | Low | 52.6 | Low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -89.6 | 93.5 | 166.9 | -76.7 | 0 | 0 | 0 | 0 | 108.6 | A25 G29 | A25-S27 PolarHBondContact O-N 2.76Å; S27-G29 PolarHBondContact O-N 3.13Å; S27-G29 VanDerWaalsContact O-N 3.13Å | ||
| 28 | R | 69.9 | Low | 52 | Low | 256 Ų | 256 | 139.8 Ų | 139.8 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | trans | -12.6 | 102.6 | 146.3 | 177.7 | 173.6 | 146.2 | -145.8 | -3.4 | 113.1 | F26 | F26-R28 PolarHBondContact O-N 3.47Š| ||
| 29 | G | 50.4 | Low | 52.2 | Low | 74 Ų | 74 | 141 Ų | 141 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -174.6 | 98.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S27 | S27-G29 PolarHBondContact O-N 3.13Å; S27-G29 VanDerWaalsContact O-N 3.13Å | ||
| 30 | G | 54.5 | Low | 52.7 | Low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -70.3 | 147.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 31 | S | 52.4 | Low | 53.4 | Low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -153.8 | 87 | 149.2 | -166.1 | 0 | 0 | 0 | 0 | 107.8 | E33 | S31-E33 PolarHBondContact O-N 3.3Š| ||
| 32 | L | 63 | Low | 54.1 | Low | 169 Ų | 169 | 142.9 Ų | 142.9 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -83.5 | 83.5 | 170.9 | 18.7 | 130.9 | 0 | 0 | 0 | 107.7 | ||||
| 33 | E | 48.9 | Very low | 54.8 | Low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -136.9 | 128.5 | 168.1 | -83.7 | -176.9 | 93.9 | 0 | 0 | 111.8 | S31 | S31-E33 PolarHBondContact O-N 3.3Š| ||
| 34 | S | 47.7 | Very low | 55.5 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 85 | 75.1 | 166.1 | -53 | 0 | 0 | 0 | 0 | 117.3 | S36 | S34-S36 PolarHBondContact O-N 3.17Š| ||
| 35 | R | 69.9 | Low | 56.6 | Low | 248 Ų | 248 | 124.4 Ų | 124.4 | 94% | 0.936 | 71% | 0.714 | S | S | * | * | trans | -53.3 | 114.4 | 144 | -64.6 | 166.5 | 71.1 | -177.9 | 4.1 | 108.6 | ||||
| 36 | S | 46.1 | Very low | 57.4 | Low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -154 | 111.2 | 155 | -80.9 | 0 | 0 | 0 | 0 | 110 | S34 | S34-S36 PolarHBondContact O-N 3.17Š| ||
| 37 | S | 51.7 | Low | 58.6 | Low | 121 Ų | 121 | 123.7 Ų | 123.7 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 68.2 | 70.2 | 153.9 | -46.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 38 | S | 47.6 | Very low | 60.2 | Low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -147.4 | 92.9 | 131.2 | -171.7 | 0 | 0 | 0 | 0 | 106.8 | R40 | S38-R40 PolarHBondContact O-N 3.25Š| ||
| 39 | S | 49.4 | Very low | 61 | Low | 112 Ų | 112 | 116.7 Ų | 116.7 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -61.3 | 87.6 | 163.4 | -60.6 | 0 | 0 | 0 | 0 | 106.3 | S41 | S39-S41 WeakPolarHBondContact O-CA 3.25Å; S39-S41 PolarHBondContact O-N 2.99Å; S39-S41 PolarHBondContact O-OG 2.75Å | ||
| 40 | R | 55.1 | Low | 62.6 | Low | 150 Ų | 150 | 117 Ų | 117 | 57% | 0.566 | 67% | 0.667 | S | S | * | * | trans | 22.9 | 56.4 | 164.9 | -162.7 | 172.1 | 176.9 | 129.2 | -9.9 | 112.8 | S38 R42 D73 | S38-R40 PolarHBondContact O-N 3.25Å; R40-R42 HydrophobicContact CG-CG 3.99Å; R40-R42 VanDerWaalsContact NE-NE 3.14Å; R40-R42 VanDerWaalsContact NH2-NH2 3.12Å; R40-R42 PolarHBondContact O-N 3.28Å; R40-D73 IonicContact CZ-OD1 3.92Å; R40-D73 IonicContact CZ-OD2 3.11Å; R40-D73 IonicContact NE-OD2 3.21Å; R40-D73 PolarHBondContact NE-OD2 2.82Å; R40-D73 IonicContact NH2-OD1 2.82Å; R40-D73 PolarHBondContact NH2-OD1 3.31Å; R40-D73 IonicContact NH2-OD2 3.8Å; R40-D73 PolarHBondContact NH2-OD2 3.19Å | ||
| 41 | S | 56.1 | Low | 64.2 | Low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | trans | -85.9 | 77.8 | -178.9 | -65.3 | 0 | 0 | 0 | 0 | 105.9 | S39 S43 | S39-S41 WeakPolarHBondContact O-CA 3.25Å; S39-S41 PolarHBondContact O-N 2.99Å; S39-S41 PolarHBondContact O-OG 2.75Å; S41-S43 PolarHBondContact O-N 3.22Å | ||
| 42 | R | 65.1 | Low | 66.1 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 34% | 0.343 | 63% | 0.626 | S | S | . | * | trans | -78 | 67.9 | 170.6 | -42.7 | -172.4 | -147.1 | -144 | -101 | 107.5 | R40 F44 E66 D73 | R40-R42 HydrophobicContact CG-CG 3.99Å; R40-R42 VanDerWaalsContact NE-NE 3.14Å; R40-R42 VanDerWaalsContact NH2-NH2 3.12Å; R40-R42 PolarHBondContact O-N 3.28Å; R42-F44 VanDerWaalsContact C-N 3.32Å; R42-F44 PolarHBondContact O-N 3.46Å; R42-E66 WeakPolarHBondContact CB-OE1 3Å; R42-E66 WeakPolarHBondContact CD-OE1 3.19Å; R42-D73 IonicContact CZ-OD2 3.46Å; R42-D73 IonicContact NH1-OD1 3.96Å; R42-D73 IonicContact NH1-OD2 2.75Å; R42-D73 PolarHBondContact NH1-OD2 3.2Å | ||
| 43 | S | 62.8 | Low | 67.6 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 63% | 0.629 | 62% | 0.62 | S | S | * | * | trans | -88.6 | 85.6 | 173 | -167.3 | 0 | 0 | 0 | 0 | 106.3 | S41 T45 | S41-S43 PolarHBondContact O-N 3.22Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 2.58Å; S43-T45 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 44 | F | 69.4 | Low | 69.7 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 31% | 0.307 | 60% | 0.597 | S | S | . | * | trans | -71 | 92.4 | 164.4 | -177.5 | -97.2 | 0 | 0 | 0 | 107.5 | R42 L51 L62 L63 E66 | R42-F44 VanDerWaalsContact C-N 3.32Å; R42-F44 PolarHBondContact O-N 3.46Å; F44-L51 HydrophobicContact CD2-CD1 4.17Å; F44-L51 HydrophobicContact CE2-CD1 3.39Å; F44-L51 HydrophobicContact CE2-CD2 4.46Å; F44-L51 HydrophobicContact CZ-CD1 3.79Å; F44-L62 HydrophobicContact CE2-CB 4.25Å; F44-L63 HydrophobicContact CD1-CD1 4.09Å; F44-L63 HydrophobicContact CE1-CB 4.37Å; F44-L63 HydrophobicContact CE1-CD1 4.05Å; F44-E66 HydrophobicContact CB-CG 4.33Å | ||
| 45 | T | 71.1 | Confident | 72 | Confident | 61 Ų | 61 | 109.5 Ų | 109.5 | 37% | 0.374 | 58% | 0.581 | S | S | . | * | trans | -93 | 129.7 | 171.7 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | S43 D47 D48 | S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 2.58Å; S43-T45 WeakPolarHBondContact OG-CG2 3.45Å; T45-D47 PolarHBondContact O-N 3.09Å; T45-D48 WeakPolarHBondContact O-CB 3.45Å; T45-D48 PolarHBondContact O-N 3.08Å | ||
| 46 | L | 69.5 | Low | 73.2 | Confident | 134 Ų | 134 | 104.4 Ų | 104.4 | 70% | 0.702 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -19.2 | 176.5 | -138.2 | 158.7 | 0 | 0 | 0 | 112.3 | ||
| 47 | D | 78.7 | Confident | 75.6 | Confident | 144 Ų | 144 | 106.7 Ų | 106.7 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 10.4 | 178.6 | -52.5 | -63.8 | 0 | 0 | 0 | 114.4 | T45 E49 | T45-D47 PolarHBondContact O-N 3.09Å; D47-E49 PolarHBondContact O-N 3.26Å |
| 48 | D | 84.8 | Confident | 77.7 | Confident | 73 Ų | 73 | 105.3 Ų | 105.3 | 39% | 0.39 | 55% | 0.547 | S | S | . | . | trans | -70.7 | 116.1 | 174.6 | -175.6 | 10.7 | 0 | 0 | 0 | 111 | T45 S50 L51 | T45-D48 WeakPolarHBondContact O-CB 3.45Å; T45-D48 PolarHBondContact O-N 3.08Å; D48-S50 PolarHBondContact O-N 3.3Å; D48-S50 VanDerWaalsContact O-N 3.08Å; D48-S50 WeakPolarHBondContact OD1-CB 3.42Å; D48-S50 PolarHBondContact OD1-N 3.32Å; D48-S50 VanDerWaalsContact OD1-N 3.09Å; D48-S50 PolarHBondContact OD1-OG 3.03Å; D48-S50 WeakPolarHBondContact OD2-CB 3.4Å; D48-S50 PolarHBondContact OD2-OG 3.43Å; D48-L51 HydrophobicContact CB-CD1 4.12Å; D48-L51 HydrophobicContact CB-CG 4.23Å; D48-L51 WeakPolarHBondContact O-CB 2.96Å; D48-L51 PolarHBondContact O-N 3.29Å | ||
| 49 | E | 86.1 | Confident | 79.9 | Confident | 145 Ų | 145 | 103.4 Ų | 103.4 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -57.1 | -23.7 | 177.4 | -72.8 | -67.2 | 122.4 | 0 | 0 | 112.9 | D47 L51 K52 | D47-E49 PolarHBondContact O-N 3.26Å; E49-L51 PolarHBondContact O-N 3.3Å; E49-K52 VanDerWaalsContact O-CB 3.25Å; E49-K52 WeakPolarHBondContact O-CB 3.47Å; E49-K52 PolarHBondContact O-N 3.42Å |
| 50 | S | 84.6 | Confident | 81.9 | Confident | 80 Ų | 80 | 101.7 Ų | 101.7 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -61.5 | -24.6 | 175.7 | 87.3 | 0 | 0 | 0 | 0 | 112.9 | D48 | D48-S50 PolarHBondContact O-N 3.3Å; D48-S50 VanDerWaalsContact O-N 3.08Å; D48-S50 WeakPolarHBondContact OD1-CB 3.42Å; D48-S50 PolarHBondContact OD1-N 3.32Å; D48-S50 VanDerWaalsContact OD1-N 3.09Å; D48-S50 PolarHBondContact OD1-OG 3.03Å; D48-S50 WeakPolarHBondContact OD2-CB 3.4Å; D48-S50 PolarHBondContact OD2-OG 3.43Å |
| 51 | L | 88.6 | Confident | 83.8 | Confident | 19 Ų | 19 | 98.3 Ų | 98.3 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -93.5 | 3.9 | -177.2 | -53.4 | 174.9 | 0 | 0 | 0 | 112.8 | F44 D48 E49 Y53 L54 K59 L62 | F44-L51 HydrophobicContact CD2-CD1 4.17Å; F44-L51 HydrophobicContact CE2-CD1 3.39Å; F44-L51 HydrophobicContact CE2-CD2 4.46Å; F44-L51 HydrophobicContact CZ-CD1 3.79Å; D48-L51 HydrophobicContact CB-CD1 4.12Å; D48-L51 HydrophobicContact CB-CG 4.23Å; D48-L51 WeakPolarHBondContact O-CB 2.96Å; D48-L51 PolarHBondContact O-N 3.29Å; E49-L51 PolarHBondContact O-N 3.3Å; L51-Y53 PolarHBondContact O-N 3.05Å; L51-Y53 VanDerWaalsContact O-N 3.17Å; L51-L54 HydrophobicContact CB-CD1 4.24Å; L51-L54 HydrophobicContact CD2-CD1 3.55Å; L51-L54 HydrophobicContact CG-CD1 4.5Å; L51-L54 PolarHBondContact O-N 3.31Å; L51-K59 WeakPolarHBondContact O-CE 3.43Å; L51-K59 PolarHBondContact O-NZ 3.18Å; L51-L62 HydrophobicContact CD2-CD1 4.04Å |
| 52 | K | 91.2 | Very high | 85.6 | Confident | 129 Ų | 129 | 97.2 Ų | 97.2 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.6 | -176 | 176.1 | 175.4 | 179 | 176.7 | 0 | 113.9 | E49 | E49-K52 VanDerWaalsContact O-CB 3.25Å; E49-K52 WeakPolarHBondContact O-CB 3.47Å; E49-K52 PolarHBondContact O-N 3.42Å |
| 53 | Y | 94.3 | Very high | 86.8 | Confident | 198 Ų | 198 | 96.9 Ų | 96.9 | 78% | 0.776 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -1.8 | -174 | -55 | -72.4 | 0 | 0 | 0 | 113.8 | L51 | L51-Y53 PolarHBondContact O-N 3.05Å; L51-Y53 VanDerWaalsContact O-N 3.17Å |
| 54 | L | 93.7 | Very high | 88.2 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 29% | 0.293 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -82.5 | 142.4 | 178.8 | -60.9 | -179.6 | 0 | 0 | 0 | 111.1 | L51 E58 K59 L62 | L51-L54 HydrophobicContact CB-CD1 4.24Å; L51-L54 HydrophobicContact CD2-CD1 3.55Å; L51-L54 HydrophobicContact CG-CD1 4.5Å; L51-L54 PolarHBondContact O-N 3.31Å; L54-E58 HydrophobicContact CB-CB 4.24Å; L54-E58 HydrophobicContact CD2-CB 4.47Å; L54-K59 HydrophobicContact CB-CG 3.87Å; L54-K59 HydrophobicContact CD1-CG 4.42Å; L54-K59 WeakPolarHBondContact O-CE 3.43Å; L54-L62 HydrophobicContact CD1-CD1 3.49Å; L54-L62 VanDerWaalsContact CD1-CD1 3.49Å |
| 55 | T | 95.6 | Very high | 89.3 | Confident | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | trans | -66.7 | 161.8 | 169.4 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | E57 E58 K59 | T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 3.37Å; T55-E58 WeakPolarHBondContact CB-OE2 3.35Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.49Å; T55-E58 PolarHBondContact N-OE2 3.02Å; T55-E58 PolarHBondContact O-N 2.77Å; T55-E58 WeakPolarHBondContact OG1-CB 3.47Å; T55-E58 WeakPolarHBondContact OG1-CG 3.15Å; T55-E58 PolarHBondContact OG1-N 2.97Å; T55-E58 PolarHBondContact OG1-OE2 2.92Å; T55-K59 WeakPolarHBondContact O-CG 3.4Å; T55-K59 PolarHBondContact O-N 3.01Å | ||
| 56 | H | 95.8 | Very high | 90.1 | Very high | 140 Ų | 140 | 98.8 Ų | 98.8 | 65% | 0.648 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.5 | -43 | 175.8 | -179.3 | 18.8 | 0 | 0 | 0 | 111.4 | E58 K59 D60 | H56-E58 PolarHBondContact O-N 2.96Å; H56-K59 PolarHBondContact O-N 3.01Å; H56-D60 IonicContact CE1-OD1 3.45Å; H56-D60 PolarHBondContact CE1-OD1 3.1Å; H56-D60 IonicContact CE1-OD2 2.78Å; H56-D60 PolarHBondContact CE1-OD2 3.29Å; H56-D60 IonicContact ND1-OD1 3.08Å; H56-D60 PolarHBondContact ND1-OD1 3.25Å; H56-D60 VanDerWaalsContact ND1-OD1 3.08Å; H56-D60 IonicContact ND1-OD2 3.37Å; H56-D60 PolarHBondContact ND1-OD2 3.05Å; H56-D60 IonicContact NE2-OD2 3.61Å; H56-D60 PolarHBondContact O-N 3.21Å |
| 57 | E | 97.1 | Very high | 91 | Very high | 156 Ų | 156 | 98.4 Ų | 98.4 | 73% | 0.729 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 178.3 | -62 | 179.2 | -175.9 | 0 | 0 | 111.7 | T55 D60 V61 | T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 3.37Å; E57-D60 PolarHBondContact O-N 3.08Å; E57-V61 WeakPolarHBondContact O-CG2 3.41Å; E57-V61 PolarHBondContact O-N 2.8Å |
| 58 | E | 95.2 | Very high | 91.6 | Very high | 92 Ų | 92 | 93.8 Ų | 93.8 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 177.7 | -72.2 | 164.4 | 143.6 | 0 | 0 | 112.6 | L54 T55 H56 D60 V61 L62 | L54-E58 HydrophobicContact CB-CB 4.24Å; L54-E58 HydrophobicContact CD2-CB 4.47Å; T55-E58 WeakPolarHBondContact CB-OE2 3.35Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.49Å; T55-E58 PolarHBondContact N-OE2 3.02Å; T55-E58 PolarHBondContact O-N 2.77Å; T55-E58 WeakPolarHBondContact OG1-CB 3.47Å; T55-E58 WeakPolarHBondContact OG1-CG 3.15Å; T55-E58 PolarHBondContact OG1-N 2.97Å; T55-E58 PolarHBondContact OG1-OE2 2.92Å; H56-E58 PolarHBondContact O-N 2.96Å; E58-D60 VanDerWaalsContact C-N 3.3Å; E58-V61 PolarHBondContact O-N 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.38Å; E58-L62 PolarHBondContact O-N 3.47Å |
| 59 | K | 93.2 | Very high | 91.6 | Very high | 61 Ų | 61 | 93.1 Ų | 93.1 | 27% | 0.265 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174 | -70.5 | 176.9 | -177.3 | -176.1 | 0 | 111.4 | L51 L54 T55 H56 V61 L62 L63 | L51-K59 WeakPolarHBondContact O-CE 3.43Å; L51-K59 PolarHBondContact O-NZ 3.18Å; L54-K59 HydrophobicContact CB-CG 3.87Å; L54-K59 HydrophobicContact CD1-CG 4.42Å; L54-K59 WeakPolarHBondContact O-CE 3.43Å; T55-K59 WeakPolarHBondContact O-CG 3.4Å; T55-K59 PolarHBondContact O-N 3.01Å; H56-K59 PolarHBondContact O-N 3.01Å; K59-V61 VanDerWaalsContact C-N 3.33Å; K59-L62 PolarHBondContact O-N 2.88Å; K59-L63 WeakPolarHBondContact O-CB 3.49Å; K59-L63 PolarHBondContact O-N 3.42Å |
| 60 | D | 92.9 | Very high | 91.4 | Very high | 76 Ų | 76 | 90 Ų | 90 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.2 | -63.4 | -11.7 | 0 | 0 | 0 | 111.2 | H56 E57 E58 L63 F64 | H56-D60 IonicContact CE1-OD1 3.45Å; H56-D60 PolarHBondContact CE1-OD1 3.1Å; H56-D60 IonicContact CE1-OD2 2.78Å; H56-D60 PolarHBondContact CE1-OD2 3.29Å; H56-D60 IonicContact ND1-OD1 3.08Å; H56-D60 PolarHBondContact ND1-OD1 3.25Å; H56-D60 VanDerWaalsContact ND1-OD1 3.08Å; H56-D60 IonicContact ND1-OD2 3.37Å; H56-D60 PolarHBondContact ND1-OD2 3.05Å; H56-D60 IonicContact NE2-OD2 3.61Å; H56-D60 PolarHBondContact O-N 3.21Å; E57-D60 PolarHBondContact O-N 3.08Å; E58-D60 VanDerWaalsContact C-N 3.3Å; D60-L63 PolarHBondContact O-N 3Å; D60-F64 WeakPolarHBondContact O-CB 3.1Å; D60-F64 PolarHBondContact O-N 3.11Å |
| 61 | V | 95.1 | Very high | 91.5 | Very high | 78 Ų | 78 | 89.9 Ų | 89.9 | 47% | 0.473 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | E57 E58 K59 F64 F65 | E57-V61 WeakPolarHBondContact O-CG2 3.41Å; E57-V61 PolarHBondContact O-N 2.8Å; E58-V61 PolarHBondContact O-N 3.39Å; K59-V61 VanDerWaalsContact C-N 3.33Å; V61-F64 PolarHBondContact O-N 3.23Å; V61-F65 HydrophobicContact CG1-CD2 4.04Å; V61-F65 HydrophobicContact CG1-CE2 3.61Å; V61-F65 WeakPolarHBondContact O-CD2 3.45Å; V61-F65 PolarHBondContact O-N 2.91Å |
| 62 | L | 92.7 | Very high | 91.1 | Very high | 73 Ų | 73 | 92.8 Ų | 92.8 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.9 | -70.8 | 175 | 0 | 0 | 0 | 111.7 | F44 L51 L54 E58 K59 F64 F65 E66 | F44-L62 HydrophobicContact CE2-CB 4.25Å; L51-L62 HydrophobicContact CD2-CD1 4.04Å; L54-L62 HydrophobicContact CD1-CD1 3.49Å; L54-L62 VanDerWaalsContact CD1-CD1 3.49Å; E58-L62 WeakPolarHBondContact O-CG 3.38Å; E58-L62 PolarHBondContact O-N 3.47Å; K59-L62 PolarHBondContact O-N 2.88Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.21Å; L62-F65 PolarHBondContact O-N 3.45Å; L62-E66 PolarHBondContact O-N 3.23Å; L62-E66 VanDerWaalsContact O-N 3.1Å |
| 63 | L | 90 | Very high | 89.8 | Confident | 85 Ų | 85 | 89.5 Ų | 89.5 | 45% | 0.445 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.4 | -178.1 | 62.6 | 0 | 0 | 0 | 111.6 | F44 K59 D60 F65 E66 E67 | F44-L63 HydrophobicContact CD1-CD1 4.09Å; F44-L63 HydrophobicContact CE1-CB 4.37Å; F44-L63 HydrophobicContact CE1-CD1 4.05Å; K59-L63 WeakPolarHBondContact O-CB 3.49Å; K59-L63 PolarHBondContact O-N 3.42Å; D60-L63 PolarHBondContact O-N 3Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 2.78Å; L63-E66 PolarHBondContact O-N 2.91Å; L63-E67 PolarHBondContact O-N 3.38Å |
| 64 | F | 92.9 | Very high | 88.1 | Confident | 118 Ų | 118 | 88.2 Ų | 88.2 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 175.3 | 170.1 | -98.4 | 0 | 0 | 0 | 112.2 | D60 V61 L62 T68 | D60-F64 WeakPolarHBondContact O-CB 3.1Å; D60-F64 PolarHBondContact O-N 3.11Å; V61-F64 PolarHBondContact O-N 3.23Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.21Å; F64-T68 VanDerWaalsContact O-CB 3.23Å; F64-T68 WeakPolarHBondContact O-CB 3.33Å; F64-T68 PolarHBondContact O-N 2.75Å; F64-T68 PolarHBondContact O-OG1 2.82Å |
| 65 | F | 92.3 | Very high | 86.4 | Confident | 106 Ų | 106 | 92.6 Ų | 92.6 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 176.7 | -75.8 | -59.6 | 0 | 0 | 0 | 112.2 | V61 L62 L63 T68 I69 | V61-F65 HydrophobicContact CG1-CD2 4.04Å; V61-F65 HydrophobicContact CG1-CE2 3.61Å; V61-F65 WeakPolarHBondContact O-CD2 3.45Å; V61-F65 PolarHBondContact O-N 2.91Å; L62-F65 PolarHBondContact O-N 3.45Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 2.78Å; F65-T68 PolarHBondContact O-N 2.96Å; F65-I69 HydrophobicContact CB-CD1 4.43Å; F65-I69 WeakPolarHBondContact O-CB 3.26Å; F65-I69 WeakPolarHBondContact O-CD1 3.19Å; F65-I69 WeakPolarHBondContact O-CG1 3.23Å; F65-I69 PolarHBondContact O-N 2.7Å |
| 66 | E | 88.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 96 Ų | 96 | 17% | 0.168 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 178.3 | -168.5 | 64.3 | -173.2 | 0 | 0 | 110.9 | R42 F44 L62 L63 T68 I69 D70 | R42-E66 WeakPolarHBondContact CB-OE1 3Å; R42-E66 WeakPolarHBondContact CD-OE1 3.19Å; F44-E66 HydrophobicContact CB-CG 4.33Å; L62-E66 PolarHBondContact O-N 3.23Å; L62-E66 VanDerWaalsContact O-N 3.1Å; L63-E66 PolarHBondContact O-N 2.91Å; E66-T68 VanDerWaalsContact C-N 3.28Å; E66-T68 PolarHBondContact O-N 2.79Å; E66-I69 PolarHBondContact O-N 2.87Å; E66-D70 WeakPolarHBondContact O-CB 3.4Å; E66-D70 PolarHBondContact O-N 3.44Å |
| 67 | E | 88.4 | Confident | 82.6 | Confident | 127 Ų | 127 | 97.8 Ų | 97.8 | 59% | 0.593 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.7 | -42.7 | 174.7 | -178.1 | -175.7 | 176.7 | 0 | 0 | 111.8 | L63 S71 | L63-E67 PolarHBondContact O-N 3.38Å; E67-S71 WeakPolarHBondContact O-CB 3.48Å; E67-S71 PolarHBondContact O-N 2.9Å; E67-S71 PolarHBondContact O-OG 2.68Å |
| 68 | T | 90.1 | Very high | 80.5 | Confident | 46 Ų | 46 | 97.8 Ų | 97.8 | 28% | 0.282 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | F64 F65 E66 S71 L72 | F64-T68 VanDerWaalsContact O-CB 3.23Å; F64-T68 WeakPolarHBondContact O-CB 3.33Å; F64-T68 PolarHBondContact O-N 2.75Å; F64-T68 PolarHBondContact O-OG1 2.82Å; F65-T68 PolarHBondContact O-N 2.96Å; E66-T68 VanDerWaalsContact C-N 3.28Å; E66-T68 PolarHBondContact O-N 2.79Å; T68-S71 PolarHBondContact O-N 3.03Å; T68-L72 HydrophobicContact CG2-CD1 4.31Å; T68-L72 VanDerWaalsContact O-CG 3.26Å; T68-L72 WeakPolarHBondContact O-CG 3.39Å; T68-L72 PolarHBondContact O-N 3.04Å; T68-L72 VanDerWaalsContact O-N 3.1Å |
| 69 | I | 86.1 | Confident | 78.4 | Confident | 60 Ų | 60 | 98.8 Ų | 98.8 | 31% | 0.308 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.4 | -39.1 | -178.3 | -58 | 158.6 | 0 | 0 | 0 | 110.4 | F65 E66 S71 L72 D73 | F65-I69 HydrophobicContact CB-CD1 4.43Å; F65-I69 WeakPolarHBondContact O-CB 3.26Å; F65-I69 WeakPolarHBondContact O-CD1 3.19Å; F65-I69 WeakPolarHBondContact O-CG1 3.23Å; F65-I69 PolarHBondContact O-N 2.7Å; E66-I69 PolarHBondContact O-N 2.87Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.42Å; I69-L72 WeakPolarHBondContact O-CB 3.49Å; I69-L72 PolarHBondContact O-N 3.1Å; I69-D73 PolarHBondContact O-N 3.21Å |
| 70 | D | 82.6 | Confident | 76.7 | Confident | 80 Ų | 80 | 102 Ų | 102 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 174.4 | -74.5 | -17 | 0 | 0 | 0 | 111.3 | E66 L72 | E66-D70 WeakPolarHBondContact O-CB 3.4Å; E66-D70 PolarHBondContact O-N 3.44Å; D70-L72 VanDerWaalsContact C-N 3.29Å; D70-L72 PolarHBondContact O-N 3.41Å |
| 71 | S | 84.9 | Confident | 74.8 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -30.1 | 173.4 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | E67 T68 I69 | E67-S71 WeakPolarHBondContact O-CB 3.48Å; E67-S71 PolarHBondContact O-N 2.9Å; E67-S71 PolarHBondContact O-OG 2.68Å; T68-S71 PolarHBondContact O-N 3.03Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.42Å |
| 72 | L | 81.9 | Confident | 72.7 | Confident | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.424 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -81.3 | -37 | 178.9 | -72.7 | 174.8 | 0 | 0 | 0 | 112.4 | T68 I69 D70 E74 D75 F76 | T68-L72 HydrophobicContact CG2-CD1 4.31Å; T68-L72 VanDerWaalsContact O-CG 3.26Å; T68-L72 WeakPolarHBondContact O-CG 3.39Å; T68-L72 PolarHBondContact O-N 3.04Å; T68-L72 VanDerWaalsContact O-N 3.1Å; I69-L72 WeakPolarHBondContact O-CB 3.49Å; I69-L72 PolarHBondContact O-N 3.1Å; D70-L72 VanDerWaalsContact C-N 3.29Å; D70-L72 PolarHBondContact O-N 3.41Å; L72-E74 PolarHBondContact O-N 3.42Å; L72-D75 PolarHBondContact O-N 3.04Å; L72-F76 HydrophobicContact CB-CD2 4.15Å; L72-F76 HydrophobicContact CB-CE2 4Å; L72-F76 HydrophobicContact CD2-CE2 4.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 2.87Å |
| 73 | D | 63.8 | Low | 70.7 | Confident | 59 Ų | 59 | 111.9 Ų | 111.9 | 32% | 0.316 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.3 | -16.7 | 179.9 | -85 | -12.4 | 0 | 0 | 0 | 112.2 | R40 R42 I69 | R40-D73 IonicContact CZ-OD1 3.92Å; R40-D73 IonicContact CZ-OD2 3.11Å; R40-D73 IonicContact NE-OD2 3.21Å; R40-D73 PolarHBondContact NE-OD2 2.82Å; R40-D73 IonicContact NH2-OD1 2.82Å; R40-D73 PolarHBondContact NH2-OD1 3.31Å; R40-D73 IonicContact NH2-OD2 3.8Å; R40-D73 PolarHBondContact NH2-OD2 3.19Å; R42-D73 IonicContact CZ-OD2 3.46Å; R42-D73 IonicContact NH1-OD1 3.96Å; R42-D73 IonicContact NH1-OD2 2.75Å; R42-D73 PolarHBondContact NH1-OD2 3.2Å; I69-D73 PolarHBondContact O-N 3.21Å |
| 74 | E | 58.4 | Low | 69 | Low | 171 Ų | 171 | 111.5 Ų | 111.5 | 80% | 0.799 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -24.2 | 170.4 | -64.2 | -169.9 | 169.1 | 0 | 0 | 114.3 | L72 | L72-E74 PolarHBondContact O-N 3.42Š|
| 75 | D | 58 | Low | 66.4 | Low | 149 Ų | 149 | 112.9 Ų | 112.9 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -11.4 | -177 | -109.7 | -6.3 | 0 | 0 | 0 | 113.3 | L72 | L72-D75 PolarHBondContact O-N 3.04Š|
| 76 | F | 57.6 | Low | 65.1 | Low | 147 Ų | 147 | 113.3 Ų | 113.3 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | trans | -101.2 | 18.4 | -177.6 | -72.4 | -74.8 | 0 | 0 | 0 | 114.2 | L72 E78 | L72-F76 HydrophobicContact CB-CD2 4.15Å; L72-F76 HydrophobicContact CB-CE2 4Å; L72-F76 HydrophobicContact CD2-CE2 4.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 2.87Å; F76-E78 PolarHBondContact O-N 2.73Å | ||
| 77 | E | 53.8 | Low | 63.8 | Low | 177 Ų | 177 | 117.3 Ų | 117.3 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | -64.1 | 89.6 | 157.5 | -94.1 | -154.9 | 161.7 | 0 | 0 | 108.3 | ||||
| 78 | E | 51.3 | Low | 62.5 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | trans | -39.5 | 127.8 | 163.4 | -177.3 | 172 | -172.4 | 0 | 0 | 108.6 | F76 V80 | F76-E78 PolarHBondContact O-N 2.73Å; E78-V80 PolarHBondContact O-N 2.96Å | ||
| 79 | P | 52.8 | Low | 60.9 | Low | 113 Ų | 113 | 120.9 Ų | 120.9 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | -53.7 | 116.9 | 176.7 | 22.2 | -31.7 | 0 | 0 | 0 | 106.9 | L81 | P79-L81 PolarHBondContact O-N 2.83Š| ||
| 80 | V | 55.7 | Low | 59.3 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -41.4 | 110.5 | 169.2 | -179.2 | 0 | 0 | 0 | 0 | 105.7 | E78 C82 | E78-V80 PolarHBondContact O-N 2.96Å; V80-C82 PolarHBondContact O-N 3.26Å | ||
| 81 | L | 53.6 | Low | 57.7 | Low | 151 Ų | 151 | 127.7 Ų | 127.7 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -42.6 | 106.5 | 177.5 | -89.5 | 159.2 | 0 | 0 | 0 | 107 | P79 D83 | P79-L81 PolarHBondContact O-N 2.83Å; L81-D83 PolarHBondContact O-N 2.8Å | ||
| 82 | C | 51 | Low | 55.8 | Low | 129 Ų | 129 | 131.4 Ų | 131.4 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 97 | 167.3 | -72.7 | 0 | 0 | 0 | 0 | 104.7 | V80 G84 | V80-C82 PolarHBondContact O-N 3.26Å; C82-G84 VanDerWaalsContact C-N 3.31Å; C82-G84 PolarHBondContact O-N 2.91Å | ||
| 83 | D | 50.1 | Low | 53.8 | Low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 103.4 | 165.1 | -169.5 | 31.7 | 0 | 0 | 0 | 105.7 | L81 G85 | L81-D83 PolarHBondContact O-N 2.8Å; D83-G85 PolarHBondContact O-N 2.77Å | ||
| 84 | G | 54.6 | Low | 53 | Low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -70.7 | 110.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | C82 | C82-G84 VanDerWaalsContact C-N 3.31Å; C82-G84 PolarHBondContact O-N 2.91Å | ||
| 85 | G | 38.4 | Very low | 52.5 | Low | 147 Ų | 147 | 139 Ų | 139 | 100% | 1.515 | 85% | 0.846 | S | S | * | * | trans | -159.6 | 0 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D83 | D83-G85 PolarHBondContact O-N 2.77Š|
Retrieved 85 of 85 residues in 26.3 ms
(Link to these results)