| 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 | 35 | Very low | 36.5 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 100% | 1.202 | 76% | 0.758 | S | S | * | * | 0 | 132.8 | 0 | -70 | -63.1 | -87.7 | 0 | 0 | 108 | |||||
| 2 | S | 39.2 | Very low | 36.1 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -83.6 | 162.9 | -174.1 | 41.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | L | 35.8 | Very low | 35.8 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 168.9 | 99 | 135.4 | -88.9 | 167.3 | 0 | 0 | 0 | 107.5 | ||||
| 4 | Q | 39.2 | Very low | 35.3 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | 62.5 | 122.9 | 83 | -99.2 | -162.8 | 8.8 | 0 | 0 | 117.5 | |||||
| 5 | R | 41.8 | Very low | 35 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 69.5 | 160.9 | 144.7 | -71.4 | 179.7 | -174 | 156.1 | -0.5 | 117.7 | ||||
| 6 | L | 36.5 | Very low | 34.9 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | cis | -176.5 | 168 | -22.3 | -178.3 | 69.2 | 0 | 0 | 0 | 106.5 | ||||
| 7 | L | 37.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 75 | 132.4 | 172.7 | -66.7 | 108.4 | 0 | 0 | 0 | 115.9 | ||||
| 8 | Q | 37 | Very low | 34.4 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | 102.8 | 151.8 | 27.8 | -174.3 | -175.3 | 2.9 | 0 | 0 | 112.1 | ||||
| 9 | H | 34.3 | Very low | 34.1 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 78.9 | 129.4 | -176.2 | -73.9 | -83.9 | 0 | 0 | 0 | 115.2 | ||||
| 10 | S | 30.7 | Very low | 33.8 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | cis | 128 | 170.2 | 3 | 64.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | S | 35.2 | Very low | 33.7 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 85.7 | 104.7 | 169.1 | -165.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 12 | N | 31.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | 84.8 | 137.1 | 63.5 | -76.5 | -10.7 | 0 | 0 | 0 | 113.4 | |||||
| 13 | G | 32.6 | Very low | 34 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 135 | 99.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 14 | N | 29.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | 51 | 133.8 | 60.7 | -82.7 | 0.9 | 0 | 0 | 0 | 112 | |||||
| 15 | L | 30.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -169.3 | 139.5 | 14.7 | 164.4 | 69.2 | 0 | 0 | 0 | 109.8 | ||||
| 16 | A | 32.5 | Very low | 32.5 | Very low | 74 Ų | 74 | 124 Ų | 124 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | trans | 50 | 169.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 17 | D | 30.4 | Very low | 32.6 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | cis | -173.1 | 171.3 | 23.8 | -138 | -20.9 | 0 | 0 | 0 | 111.9 | ||||
| 18 | F | 31 | Very low | 32.2 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | trans | 56.9 | 108.5 | 157.1 | -71.6 | -66.4 | 0 | 0 | 0 | 125.1 | ||||
| 19 | C | 29.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | 68.4 | 143 | 117.5 | -83.8 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 20 | A | 28.1 | Very low | 32 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 79.6 | 128.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 21 | G | 31.2 | Very low | 32.3 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -91.6 | -152.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 22 | P | 47.4 | Very low | 32 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | cis | -136.9 | -174.5 | 5.8 | 42.5 | -24.9 | 0 | 0 | 0 | 115.8 | ||||
| 23 | A | 32.4 | Very low | 31.9 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | 86 | 141.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 24 | Y | 31.7 | Very low | 32.1 | Very low | 230 Ų | 230 | 129.3 Ų | 129.3 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 50.9 | 105.5 | 167.4 | -73.9 | -84.4 | 0 | 0 | 0 | 120 | ||||
| 25 | S | 26.7 | Very low | 33.1 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | -169.4 | 135.8 | 118.2 | -160.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 26 | S | 27.6 | Very low | 33.9 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | trans | 48.7 | 132.3 | 138.1 | -51 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 27 | Y | 38.3 | Very low | 34.8 | Very low | 218 Ų | 218 | 128.9 Ų | 128.9 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -12.2 | 131.4 | 146.6 | -22.7 | -85 | 0 | 0 | 0 | 116.3 | ||||
| 28 | S | 29.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -144.1 | 113.3 | 156.9 | -75.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 29 | T | 34.4 | Very low | 36.5 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -68.2 | 137.3 | 167.6 | -37.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 30 | L | 32.9 | Very low | 37.8 | Very low | 148 Ų | 148 | 129 Ų | 129 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 167.8 | 125.2 | 130.5 | -91.3 | 160.9 | 0 | 0 | 0 | 113 | ||||
| 31 | T | 35.9 | Very low | 39 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | 37.9 | 116.9 | 143.1 | 56.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 32 | G | 27.9 | Very low | 40.3 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | 167.6 | 112.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 33 | S | 30.2 | Very low | 40.5 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | 48.7 | 102.1 | 152.2 | -163.3 | 0 | 0 | 0 | 0 | 120.3 | T35 | S33-T35 PolarHBondContact O-N 3.38Š| ||
| 34 | L | 37.4 | Very low | 41.3 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | -73.5 | 95.6 | 163.7 | -85.9 | 162.9 | 0 | 0 | 0 | 111.9 | ||||
| 35 | T | 49 | Very low | 42.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | trans | -149 | 131.4 | 165.2 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | S33 | S33-T35 PolarHBondContact O-N 3.38Š| ||
| 36 | M | 49.1 | Very low | 43.6 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 77% | 0.768 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 108.9 | -17.9 | 159.2 | -59.2 | -154.9 | 74.1 | 0 | 0 | 120.9 | ||
| 37 | D | 51.1 | Low | 44.8 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -88.5 | -26.2 | -171.6 | -76 | -48.8 | 0 | 0 | 0 | 116.8 | N39 R40 R41 | D37-N39 VanDerWaalsContact C-N 3.29Å; D37-N39 PolarHBondContact O-N 2.99Å; D37-R40 PolarHBondContact O-N 3.22Å; D37-R41 PolarHBondContact O-N 2.99Å |
| 38 | D | 50.6 | Low | 45.7 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63.2 | -33 | -175.9 | -65.6 | -51.6 | 0 | 0 | 0 | 113.7 | R40 R41 I42 | D38-R40 PolarHBondContact O-N 2.97Å; D38-R41 PolarHBondContact O-N 3.06Å; D38-R41 VanDerWaalsContact O-N 3.13Å; D38-I42 WeakPolarHBondContact O-CG1 3.26Å; D38-I42 PolarHBondContact O-N 3.18Å |
| 39 | N | 46.8 | Very low | 46.9 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 65% | 0.647 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -60.9 | -32 | 176.6 | -69.4 | -48.3 | 0 | 0 | 0 | 112.3 | D37 Q43 | D37-N39 VanDerWaalsContact C-N 3.29Å; D37-N39 PolarHBondContact O-N 2.99Å; N39-Q43 WeakPolarHBondContact O-CB 3.45Å; N39-Q43 PolarHBondContact O-N 3.46Å |
| 40 | R | 56.6 | Low | 47.5 | Very low | 188 Ų | 188 | 121.1 Ų | 121.1 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.5 | -36.5 | 176.3 | -66.5 | -178.4 | -179.3 | -105.6 | 3.7 | 111.7 | D37 D38 Q43 M44 | D37-R40 PolarHBondContact O-N 3.22Å; D38-R40 PolarHBondContact O-N 2.97Å; R40-Q43 PolarHBondContact O-N 2.94Å; R40-M44 WeakPolarHBondContact O-CG 3.48Å; R40-M44 PolarHBondContact O-N 3.39Å; R40-M44 VanDerWaalsContact O-N 3.08Å |
| 41 | R | 53.2 | Low | 48.5 | Very low | 194 Ų | 194 | 121.3 Ų | 121.3 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.4 | -44.3 | 175.1 | -101.4 | -177.7 | 169.3 | -168.5 | -3 | 112.3 | D37 D38 Q43 M44 L45 | D37-R41 PolarHBondContact O-N 2.99Å; D38-R41 PolarHBondContact O-N 3.06Å; D38-R41 VanDerWaalsContact O-N 3.13Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 2.65Å; R41-M44 PolarHBondContact O-N 3.08Å; R41-L45 PolarHBondContact O-N 3.41Å |
| 42 | I | 56.7 | Low | 48.9 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.9 | -38.4 | 177.8 | -63.5 | 166.5 | 0 | 0 | 0 | 110.8 | D38 L45 A46 | D38-I42 WeakPolarHBondContact O-CG1 3.26Å; D38-I42 PolarHBondContact O-N 3.18Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-A46 PolarHBondContact O-N 3.36Å |
| 43 | Q | 51.8 | Low | 49.6 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 53% | 0.533 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -63.1 | -45 | 175.4 | -164.1 | 68.1 | 51.4 | 0 | 0 | 112.3 | N39 R40 R41 L45 A46 D47 | N39-Q43 WeakPolarHBondContact O-CB 3.45Å; N39-Q43 PolarHBondContact O-N 3.46Å; R40-Q43 PolarHBondContact O-N 2.94Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 2.65Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.49Å; Q43-A46 PolarHBondContact O-N 3.15Å; Q43-A46 VanDerWaalsContact O-N 3.14Å; Q43-D47 PolarHBondContact O-N 3.39Å |
| 44 | M | 49.7 | Very low | 50.8 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 67% | 0.665 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.4 | -34.9 | 178.4 | -73.2 | -74.9 | -69 | 0 | 0 | 113.5 | R40 R41 T48 | R40-M44 WeakPolarHBondContact O-CG 3.48Å; R40-M44 PolarHBondContact O-N 3.39Å; R40-M44 VanDerWaalsContact O-N 3.08Å; R41-M44 PolarHBondContact O-N 3.08Å; M44-T48 PolarHBondContact O-OG1 2.94Å |
| 45 | L | 52.3 | Low | 51 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.5 | -31.6 | 175 | -69.1 | 170.5 | 0 | 0 | 0 | 112.3 | R41 I42 Q43 T48 | R41-L45 PolarHBondContact O-N 3.41Å; I42-L45 PolarHBondContact O-N 3.47Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.49Å; L45-T48 PolarHBondContact O-OG1 3.47Å |
| 46 | A | 54 | Low | 51 | Low | 43 Ų | 43 | 128.1 Ų | 128.1 | 36% | 0.355 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -73.6 | -23.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | I42 Q43 | I42-A46 PolarHBondContact O-N 3.36Å; Q43-A46 PolarHBondContact O-N 3.15Å; Q43-A46 VanDerWaalsContact O-N 3.14Å |
| 47 | D | 53.9 | Low | 50.9 | Low | 95 Ų | 95 | 129.9 Ų | 129.9 | 51% | 0.508 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -96.2 | -10.5 | -177.9 | -69.2 | -33 | 0 | 0 | 0 | 113.5 | Q43 R54 | Q43-D47 PolarHBondContact O-N 3.39Å; D47-R54 IonicContact OD1-NH1 2.74Å; D47-R54 PolarHBondContact OD1-NH1 3.22Å |
| 48 | T | 57.2 | Low | 50.9 | Low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -92.9 | -15.2 | -178.8 | 38.4 | 0 | 0 | 0 | 0 | 114.9 | M44 L45 | M44-T48 PolarHBondContact O-OG1 2.94Å; L45-T48 PolarHBondContact O-OG1 3.47Å |
| 49 | V | 54.2 | Low | 50.8 | Low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -135.9 | 42.8 | -175.1 | -159.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 50 | A | 47 | Very low | 50.9 | Low | 55 Ų | 55 | 132.6 Ų | 132.6 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | trans | -144.4 | 76.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L52 | A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.36Å | ||
| 51 | T | 54.6 | Low | 50.5 | Low | 151 Ų | 151 | 131.2 Ų | 131.2 | 93% | 0.926 | 70% | 0.696 | S | S | * | * | trans | -76.7 | 71 | 165.2 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | L | 43.5 | Very low | 50 | Low | 146 Ų | 146 | 127.6 Ų | 127.6 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | -136.3 | 127.7 | 171.5 | -96.9 | 145.9 | 0 | 0 | 0 | 110.6 | A50 R54 | A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.36Å; L52-R54 PolarHBondContact O-N 2.97Å; L52-R54 VanDerWaalsContact O-N 3.1Å | ||
| 53 | P | 43.1 | Very low | 49.5 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -70.8 | 109.7 | -171.6 | 27.4 | -34.2 | 0 | 0 | 0 | 111.5 | G55 | P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G55 PolarHBondContact O-N 2.96Å | ||
| 54 | R | 54.2 | Low | 49.3 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | trans | -73.8 | 77.3 | 176.3 | -72.2 | 178.2 | 174.4 | 142.8 | -0.5 | 111.4 | D47 L52 R56 | D47-R54 IonicContact OD1-NH1 2.74Å; D47-R54 PolarHBondContact OD1-NH1 3.22Å; L52-R54 PolarHBondContact O-N 2.97Å; L52-R54 VanDerWaalsContact O-N 3.1Å; R54-R56 PolarHBondContact O-N 2.77Å | ||
| 55 | G | 41.7 | Very low | 49 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | trans | -66.3 | 76.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P53 K57 | P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G55 PolarHBondContact O-N 2.96Å; G55-K57 VanDerWaalsContact C-N 3.28Å; G55-K57 PolarHBondContact O-N 2.76Å | ||
| 56 | R | 48.8 | Very low | 48.5 | Very low | 215 Ų | 215 | 129.1 Ų | 129.1 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -68.7 | 80.4 | 176.3 | -99.5 | -170.1 | 176.6 | -171.4 | 2.8 | 111 | R54 Q58 | R54-R56 PolarHBondContact O-N 2.77Å; R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 2.95Å; R56-Q58 VanDerWaalsContact O-N 3.17Å | ||
| 57 | K | 48.3 | Very low | 48.2 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -71.5 | 99.4 | 144.7 | -75.2 | -170.4 | 178.9 | -177.6 | 0 | 106.5 | G55 L59 | G55-K57 VanDerWaalsContact C-N 3.28Å; G55-K57 PolarHBondContact O-N 2.76Å; K57-L59 PolarHBondContact O-N 2.88Å | ||
| 58 | Q | 50.8 | Low | 47.6 | Very low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -71.4 | 75.5 | 178.9 | -169.9 | 166.9 | -16.8 | 0 | 0 | 109 | R56 A60 | R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 2.95Å; R56-Q58 VanDerWaalsContact O-N 3.17Å; Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-A60 PolarHBondContact O-N 3.32Å | ||
| 59 | L | 47.5 | Very low | 46.6 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -59.6 | 103.4 | 160.2 | -73.3 | 175.2 | 0 | 0 | 0 | 105.8 | K57 L61 | K57-L59 PolarHBondContact O-N 2.88Å; L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.42Å | ||
| 60 | A | 50.2 | Low | 45.8 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | -60.9 | 97.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q58 T62 | Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-A60 PolarHBondContact O-N 3.32Å; A60-T62 PolarHBondContact O-N 3.22Å | ||
| 61 | L | 48.3 | Very low | 45.9 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -62.4 | 91.4 | 161.1 | -82.3 | 164 | 0 | 0 | 0 | 106 | L59 R63 | L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.42Å; L61-R63 PolarHBondContact O-N 3.01Å | ||
| 62 | T | 42 | Very low | 45.6 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -51.7 | 107.9 | 165.6 | -27.2 | 0 | 0 | 0 | 0 | 105.7 | A60 S64 | A60-T62 PolarHBondContact O-N 3.22Å; T62-S64 PolarHBondContact O-N 2.91Å | ||
| 63 | R | 46.4 | Very low | 46.3 | Very low | 237 Ų | 237 | 136 Ų | 136 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | trans | -73.2 | 65.9 | 177.1 | -71.6 | 179.5 | 63.3 | -138.9 | -1.6 | 108.7 | L61 S65 | L61-R63 PolarHBondContact O-N 3.01Å; R63-S65 PolarHBondContact O-N 2.82Å | ||
| 64 | S | 47.3 | Very low | 47.6 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -76.8 | 76.7 | 173.3 | -64.9 | 0 | 0 | 0 | 0 | 109.5 | T62 | T62-S64 PolarHBondContact O-N 2.91Š| ||
| 65 | S | 43.3 | Very low | 49.1 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -149.3 | 104 | 143.8 | 52.5 | 0 | 0 | 0 | 0 | 107.7 | R63 L67 | R63-S65 PolarHBondContact O-N 2.82Å; S65-L67 PolarHBondContact O-N 2.88Å | ||
| 66 | S | 42.8 | Very low | 51.3 | Low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | trans | -56.4 | 103.5 | 164.4 | 44.7 | 0 | 0 | 0 | 0 | 108.1 | S68 | S66-S68 PolarHBondContact O-N 3.41Š| ||
| 67 | L | 46.5 | Very low | 53.5 | Low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 68% | 0.684 | S | S | * | * | trans | -81 | 33.5 | 172.2 | -134.6 | 168.2 | 0 | 0 | 0 | 110.5 | S65 | S65-L67 PolarHBondContact O-N 2.88Š| ||
| 68 | S | 41.8 | Very low | 55.7 | Low | 75 Ų | 75 | 123.1 Ų | 123.1 | 52% | 0.524 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -131.1 | 112.3 | -179 | 52.7 | 0 | 0 | 0 | 0 | 104.8 | S66 | S66-S68 PolarHBondContact O-N 3.41Š|
| 69 | D | 37.2 | Very low | 57.9 | Low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 63% | 0.632 | S | S | * | * | trans | 61.3 | 61.9 | 173.6 | -43.7 | -35.8 | 0 | 0 | 0 | 115.3 | S71 | D69-S71 VanDerWaalsContact C-N 3.28Å; D69-S71 PolarHBondContact O-N 3.27Å | ||
| 70 | F | 36.8 | Very low | 60.3 | Low | 167 Ų | 167 | 111.6 Ų | 111.6 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -56.7 | 103.8 | 140.8 | -92.5 | -91.8 | 0 | 0 | 0 | 106.6 | W72 | F70-W72 PolarHBondContact O-N 2.72Š| ||
| 71 | S | 49.3 | Very low | 62.5 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | trans | -66.5 | 86 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | D69 S73 | D69-S71 VanDerWaalsContact C-N 3.28Å; D69-S71 PolarHBondContact O-N 3.27Å; S71-S73 CarbonylContact O-C 3.48Å; S71-S73 PolarHBondContact O-N 3.21Å | ||
| 72 | W | 48.1 | Very low | 64.7 | Low | 176 Ų | 176 | 108.7 Ų | 108.7 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -57.3 | -24.1 | -160.9 | -178.8 | -96.1 | 0 | 0 | 0 | 114.3 | F70 | F70-W72 PolarHBondContact O-N 2.72Š|
| 73 | S | 58.1 | Low | 67.3 | Low | 38 Ų | 38 | 109.8 Ų | 109.8 | 27% | 0.266 | 56% | 0.558 | S | S | . | * | trans | -135.6 | 116.7 | 158.3 | -51.2 | 0 | 0 | 0 | 0 | 108.6 | S71 R75 | S71-S73 CarbonylContact O-C 3.48Å; S71-S73 PolarHBondContact O-N 3.21Å; S73-R75 PolarHBondContact O-N 3.33Å | ||
| 74 | Q | 70.3 | Confident | 69.4 | Low | 152 Ų | 152 | 104.4 Ų | 104.4 | 71% | 0.71 | 55% | 0.546 | S | S | * | . | trans | -68.2 | 90.1 | 158.8 | -174 | 172.8 | 6.8 | 0 | 0 | 106.9 | ||||
| 75 | R | 85.4 | Confident | 71.4 | Confident | 151 Ų | 151 | 107.5 Ų | 107.5 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.2 | 178.6 | -57.1 | -146.4 | 179.4 | -178.6 | -4.6 | 108.8 | S73 E161 T162 L163 | S73-R75 PolarHBondContact O-N 3.33Å; R75-E161 WeakPolarHBondContact CD-OE1 3.43Å; R75-E161 IonicContact CZ-OE1 3.36Å; R75-E161 IonicContact NE-OE1 2.78Å; R75-E161 IonicContact NH1-OE1 3.16Å; R75-E161 PolarHBondContact NH1-OE1 2.8Å; R75-T162 CarbonylContact C-O 3.59Å; R75-T162 WeakPolarHBondContact CA-O 3.36Å; R75-L163 HydrophobicContact CB-CD2 4.31Å; R75-L163 HydrophobicContact CG-CD2 3.57Å |
| 76 | K | 89.3 | Confident | 73.8 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 37% | 0.374 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 113.1 | 178.8 | -171.1 | -170.5 | -180 | -178.4 | 0 | 108.9 | V78 G124 T162 | K76-V78 HydrophobicContact CD-CG2 3.65Å; K76-V78 HydrophobicContact CG-CG2 3.7Å; K76-G124 PolarHBondContact NZ-O 2.91Å; K76-T162 PolarHBondContact N-O 3.49Å; K76-T162 PolarHBondContact O-N 2.95Å; K76-T162 PolarHBondContact O-OG1 3.04Å |
| 77 | L | 93.7 | Very high | 76.3 | Confident | 119 Ų | 119 | 107 Ų | 107 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.2 | 168 | -168 | 66.8 | 0 | 0 | 0 | 108.5 | T159 E161 | L77-T159 HydrophobicContact CD1-CG2 3.59Å; L77-T159 HydrophobicContact CG-CG2 4.08Å; L77-E161 HydrophobicContact CD1-CB 4.07Å; L77-E161 HydrophobicContact CD1-CG 4.47Å |
| 78 | V | 95 | Very high | 78.7 | Confident | 7 Ų | 7 | 100 Ų | 100 | 4% | 0.042 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.1 | -177.6 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | K76 V80 A123 L125 T159 I160 | K76-V78 HydrophobicContact CD-CG2 3.65Å; K76-V78 HydrophobicContact CG-CG2 3.7Å; V78-V80 HydrophobicContact CG1-CG2 4.17Å; V78-A123 HydrophobicContact CG1-CB 3.51Å; V78-A123 VanDerWaalsContact CG1-O 3.3Å; V78-A123 WeakPolarHBondContact CG1-O 3.32Å; V78-L125 HydrophobicContact CB-CD2 3.92Å; V78-L125 HydrophobicContact CG1-CD2 3.98Å; V78-L125 HydrophobicContact CG1-CG 4.02Å; V78-L125 HydrophobicContact CG2-CD2 3.91Å; V78-T159 CarbonylContact O-C 3.55Å; V78-T159 WeakPolarHBondContact O-CA 3.38Å; V78-I160 PolarHBondContact N-O 2.77Å; V78-I160 PolarHBondContact O-N 3.36Å |
| 79 | T | 96.8 | Very high | 81.3 | Confident | 78 Ų | 78 | 96.7 Ų | 96.7 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.8 | 170.4 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | L157 | T79-L157 HydrophobicContact CG2-CD1 3.5Å; T79-L157 VanDerWaalsContact CG2-CD1 3.5Å; T79-L157 HydrophobicContact CG2-CG 4.22Å |
| 80 | V | 97.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 91 Ų | 91 | 1% | 0.006 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.2 | 176.7 | -162.7 | 0 | 0 | 0 | 0 | 108 | V78 F88 P119 A123 L125 L158 | V78-V80 HydrophobicContact CG1-CG2 4.17Å; V80-F88 HydrophobicContact CB-CD1 4.05Å; V80-F88 HydrophobicContact CB-CE1 4.44Å; V80-F88 HydrophobicContact CG1-CB 4.47Å; V80-F88 HydrophobicContact CG1-CD1 3.68Å; V80-F88 HydrophobicContact CG1-CE1 4.44Å; V80-P119 VanDerWaalsContact CG1-C 3.49Å; V80-P119 HydrophobicContact CG1-CB 3.59Å; V80-A123 HydrophobicContact CB-CB 4.42Å; V80-A123 HydrophobicContact CG1-CB 4.37Å; V80-A123 HydrophobicContact CG2-CB 3.89Å; V80-L125 HydrophobicContact CG2-CD1 3.81Å; V80-L158 PolarHBondContact N-O 3.4Å; V80-L158 PolarHBondContact O-N 2.99Å |
| 81 | E | 96.6 | Very high | 87 | Confident | 148 Ų | 148 | 87.5 Ų | 87.5 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.5 | 173 | -176.3 | 172.6 | -162.5 | 0 | 0 | 108.9 | P119 N156 L157 | E81-P119 WeakPolarHBondContact O-CB 3.38Å; E81-N156 WeakPolarHBondContact CA-O 3.48Å; E81-L157 HydrophobicContact CB-CD1 3.98Å; E81-L157 HydrophobicContact CG-CD1 4.34Å |
| 82 | K | 95.6 | Very high | 89.2 | Confident | 33 Ų | 33 | 84 Ų | 84 | 14% | 0.143 | 41% | 0.408 | C | S | . | . | trans | -130.8 | 155.1 | 179.4 | 79.7 | 173.7 | -155.3 | -52 | 0 | 111.9 | E86 F88 P119 G155 N156 | K82-E86 VanDerWaalsContact CA-OE1 3.28Å; K82-E86 WeakPolarHBondContact CA-OE1 3.28Å; K82-E86 HydrophobicContact CB-CG 3.81Å; K82-E86 WeakPolarHBondContact CB-OE1 3.38Å; K82-E86 HydrophobicContact CD-CG 4.32Å; K82-E86 WeakPolarHBondContact CD-O 3.42Å; K82-E86 WeakPolarHBondContact CE-O 3.4Å; K82-E86 HydrophobicContact CG-CG 4.29Å; K82-F88 HydrophobicContact CB-CD1 3.86Å; K82-F88 HydrophobicContact CB-CE1 3.93Å; K82-F88 HydrophobicContact CD-CD1 3.75Å; K82-F88 HydrophobicContact CD-CD2 4.05Å; K82-F88 HydrophobicContact CD-CE1 3.7Å; K82-F88 HydrophobicContact CD-CE2 4Å; K82-F88 HydrophobicContact CD-CG 3.93Å; K82-F88 HydrophobicContact CD-CZ 3.82Å; K82-F88 HydrophobicContact CG-CD1 3.96Å; K82-F88 HydrophobicContact CG-CE1 3.66Å; K82-F88 HydrophobicContact CG-CZ 4.08Å; K82-P119 HydrophobicContact CB-CB 4.43Å; K82-P119 HydrophobicContact CB-CG 4.09Å; K82-G155 PolarHBondContact NZ-O 2.95Å; K82-N156 HydrophobicContact CG-CB 4.38Å; K82-N156 PolarHBondContact N-O 3.05Å; K82-N156 PolarHBondContact NZ-OD1 3.37Å; K82-N156 WeakPolarHBondContact O-CB 3.35Å | ||
| 83 | Q | 95.8 | Very high | 91.3 | Very high | 142 Ų | 142 | 79.7 Ų | 79.7 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | trans | -71.6 | 164.6 | 172.9 | -60.8 | -177.2 | 58 | 0 | 0 | 112.7 | N85 E86 | Q83-N85 PolarHBondContact O-N 3.48Å; Q83-E86 HydrophobicContact CB-CG 4.16Å; Q83-E86 PolarHBondContact N-OE1 3.35Å; Q83-E86 PolarHBondContact O-N 3.38Å | ||
| 84 | D | 90.5 | Very high | 92.9 | Very high | 123 Ų | 123 | 79 Ų | 79 | 66% | 0.658 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 133.9 | 171.1 | -65.9 | -58.5 | 0 | 0 | 0 | 111.2 | E86 N156 | D84-E86 VanDerWaalsContact C-N 3.32Å; D84-E86 PolarHBondContact O-N 3Å; D84-N156 PolarHBondContact OD1-ND2 3.1Å |
| 85 | N | 89.8 | Confident | 93.5 | Very high | 173 Ų | 173 | 75.7 Ų | 75.7 | 93% | 0.925 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -1.3 | -177.1 | -46.7 | -63.3 | 0 | 0 | 0 | 117.6 | Q83 | Q83-N85 PolarHBondContact O-N 3.48Š|
| 86 | E | 93.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | trans | -91 | 173.4 | 169.8 | 83.7 | -174.4 | 175.8 | 0 | 0 | 112.6 | K82 Q83 D84 P119 | K82-E86 VanDerWaalsContact CA-OE1 3.28Å; K82-E86 WeakPolarHBondContact CA-OE1 3.28Å; K82-E86 HydrophobicContact CB-CG 3.81Å; K82-E86 WeakPolarHBondContact CB-OE1 3.38Å; K82-E86 HydrophobicContact CD-CG 4.32Å; K82-E86 WeakPolarHBondContact CD-O 3.42Å; K82-E86 WeakPolarHBondContact CE-O 3.4Å; K82-E86 HydrophobicContact CG-CG 4.29Å; Q83-E86 HydrophobicContact CB-CG 4.16Å; Q83-E86 PolarHBondContact N-OE1 3.35Å; Q83-E86 PolarHBondContact O-N 3.38Å; D84-E86 VanDerWaalsContact C-N 3.32Å; D84-E86 PolarHBondContact O-N 3Å; E86-P119 WeakPolarHBondContact OE1-CG 3.45Å | ||
| 87 | T | 95.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 74.7 Ų | 74.7 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | trans | -108.2 | 158.1 | 170.5 | 79 | 0 | 0 | 0 | 0 | 109.7 | G89 | T87-G89 PolarHBondContact O-N 2.82Å; T87-G89 VanDerWaalsContact O-N 3.08Å; T87-G89 PolarHBondContact OG1-N 3.04Å | ||
| 88 | F | 96.9 | Very high | 90.8 | Very high | 16 Ų | 16 | 78.3 Ų | 78.3 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | trans | -62.3 | -14.7 | 174.5 | -63.7 | -70.7 | 0 | 0 | 0 | 113.7 | V80 K82 F90 A120 I151 G155 L158 | V80-F88 HydrophobicContact CB-CD1 4.05Å; V80-F88 HydrophobicContact CB-CE1 4.44Å; V80-F88 HydrophobicContact CG1-CB 4.47Å; V80-F88 HydrophobicContact CG1-CD1 3.68Å; V80-F88 HydrophobicContact CG1-CE1 4.44Å; K82-F88 HydrophobicContact CB-CD1 3.86Å; K82-F88 HydrophobicContact CB-CE1 3.93Å; K82-F88 HydrophobicContact CD-CD1 3.75Å; K82-F88 HydrophobicContact CD-CD2 4.05Å; K82-F88 HydrophobicContact CD-CE1 3.7Å; K82-F88 HydrophobicContact CD-CE2 4Å; K82-F88 HydrophobicContact CD-CG 3.93Å; K82-F88 HydrophobicContact CD-CZ 3.82Å; K82-F88 HydrophobicContact CG-CD1 3.96Å; K82-F88 HydrophobicContact CG-CE1 3.66Å; K82-F88 HydrophobicContact CG-CZ 4.08Å; F88-F90 HydrophobicContact CB-CD1 3.59Å; F88-F90 HydrophobicContact CB-CE1 3.41Å; F88-F90 VanDerWaalsContact CB-CE1 3.41Å; F88-F90 HydrophobicContact CD2-CE1 4.33Å; F88-F90 HydrophobicContact CG-CE1 4.07Å; F88-A120 WeakPolarHBondContact O-CB 3.48Å; F88-A120 PolarHBondContact O-N 3.39Å; F88-I151 HydrophobicContact CD2-CG2 4.11Å; F88-I151 HydrophobicContact CE2-CG2 4.08Å; F88-G155 WeakPolarHBondContact CZ-O 3.47Å; F88-L158 HydrophobicContact CD1-CB 4.4Å; F88-L158 HydrophobicContact CD1-CD2 4.5Å; F88-L158 HydrophobicContact CD2-CD2 3.92Å; F88-L158 HydrophobicContact CE1-CB 3.72Å; F88-L158 HydrophobicContact CE1-CD2 4.46Å; F88-L158 HydrophobicContact CE2-CB 4.13Å; F88-L158 HydrophobicContact CE2-CD2 3.89Å; F88-L158 HydrophobicContact CG-CD2 4.25Å; F88-L158 HydrophobicContact CZ-CB 3.57Å; F88-L158 HydrophobicContact CZ-CD2 4.17Å; F88-L158 HydrophobicContact CZ-CG 4.42Å | ||
| 89 | G | 96.3 | Very high | 88.9 | Confident | 6 Ų | 6 | 81.4 Ų | 81.4 | 6% | 0.062 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 79.9 | 29.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T87 I114 Q115 S118 | T87-G89 PolarHBondContact O-N 2.82Å; T87-G89 VanDerWaalsContact O-N 3.08Å; T87-G89 PolarHBondContact OG1-N 3.04Å; G89-I114 WeakPolarHBondContact O-CA 3.25Å; G89-Q115 WeakPolarHBondContact O-CB 3.44Å; G89-Q115 PolarHBondContact O-N 3.38Å; G89-S118 PolarHBondContact O-OG 2.89Å |
| 90 | F | 96.9 | Very high | 86.8 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.1 | 173.2 | 68.9 | -88.5 | 0 | 0 | 0 | 112.3 | F88 I92 I111 K113 I114 A120 L125 I151 L158 I160 | F88-F90 HydrophobicContact CB-CD1 3.59Å; F88-F90 HydrophobicContact CB-CE1 3.41Å; F88-F90 VanDerWaalsContact CB-CE1 3.41Å; F88-F90 HydrophobicContact CD2-CE1 4.33Å; F88-F90 HydrophobicContact CG-CE1 4.07Å; F90-I92 HydrophobicContact CD2-CG2 3.82Å; F90-I92 HydrophobicContact CE2-CG2 3.68Å; F90-I111 HydrophobicContact CB-CG2 4.13Å; F90-I111 HydrophobicContact CD2-CG1 4.4Å; F90-K113 WeakPolarHBondContact CA-O 3.2Å; F90-I114 HydrophobicContact CB-CG1 4.14Å; F90-A120 HydrophobicContact CB-CB 4.08Å; F90-A120 HydrophobicContact CD1-CB 3.78Å; F90-A120 HydrophobicContact CG-CB 4.36Å; F90-L125 HydrophobicContact CD1-CD1 4.45Å; F90-I151 HydrophobicContact CE2-CD1 4.13Å; F90-I151 HydrophobicContact CZ-CD1 4.08Å; F90-L158 HydrophobicContact CE1-CD2 3.97Å; F90-L158 HydrophobicContact CZ-CD2 3.87Å; F90-I160 HydrophobicContact CE1-CD1 4.32Å; F90-I160 HydrophobicContact CZ-CD1 3.99Å |
| 91 | E | 96.5 | Very high | 84.6 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.7 | 171.5 | -66.8 | 179.9 | -143.9 | 0 | 0 | 109.8 | I111 C112 K113 | E91-I111 CarbonylContact O-C 3.53Å; E91-I111 WeakPolarHBondContact O-CA 3.3Å; E91-C112 VanDerWaalsContact CB-SG 3.52Å; E91-C112 PolarHBondContact O-N 3.45Å; E91-C112 PolarHBondContact O-SG 2.86Å; E91-K113 HydrophobicContact CB-CB 4.12Å; E91-K113 HydrophobicContact CG-CB 4.28Å; E91-K113 PolarHBondContact N-O 3.38Å; E91-K113 IonicContact OE1-NZ 2.7Å; E91-K113 PolarHBondContact OE1-NZ 2.79Å; E91-K113 IonicContact OE2-NZ 2.62Å; E91-K113 PolarHBondContact OE2-NZ 3.1Å |
| 92 | I | 95.3 | Very high | 82.4 | Confident | 19 Ų | 19 | 87.7 Ų | 87.7 | 10% | 0.097 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 154.3 | 175 | 48.6 | 160.3 | 0 | 0 | 0 | 112.2 | F90 T109 L110 I111 L131 Y144 V147 V148 I151 | F90-I92 HydrophobicContact CD2-CG2 3.82Å; F90-I92 HydrophobicContact CE2-CG2 3.68Å; I92-T109 HydrophobicContact CB-CG2 3.77Å; I92-T109 HydrophobicContact CD1-CG2 3.97Å; I92-T109 HydrophobicContact CG1-CG2 4.43Å; I92-T109 HydrophobicContact CG2-CG2 4.21Å; I92-L110 CarbonylContact C-O 3.45Å; I92-L110 VanDerWaalsContact CA-O 3.26Å; I92-L110 WeakPolarHBondContact CA-O 3.5Å; I92-I111 HydrophobicContact CG2-CG1 4.42Å; I92-L131 HydrophobicContact CG2-CD1 3.82Å; I92-L131 HydrophobicContact CG2-CD2 4.17Å; I92-Y144 HydrophobicContact CD1-CD2 4.34Å; I92-Y144 HydrophobicContact CD1-CE2 4.04Å; I92-Y144 HydrophobicContact CG1-CE2 3.87Å; I92-Y144 WeakPolarHBondContact O-CE2 3.33Å; I92-V147 HydrophobicContact CD1-CB 4.28Å; I92-V147 HydrophobicContact CD1-CG1 3.76Å; I92-V148 HydrophobicContact CD1-CG2 3.91Å; I92-I151 HydrophobicContact CD1-CD1 4.09Å |
| 93 | Q | 92.3 | Very high | 80.1 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 40% | 0.402 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.7 | 174.6 | -173.7 | 173.8 | -1.4 | 0 | 0 | 110.1 | Y95 T109 L110 C112 | Q93-Y95 HydrophobicContact CB-CE2 3.87Å; Q93-Y95 HydrophobicContact CG-CD2 4.21Å; Q93-Y95 HydrophobicContact CG-CE2 3.52Å; Q93-Y95 PolarHBondContact NE2-OH 2.81Å; Q93-Y95 PolarHBondContact OE1-OH 2.85Å; Q93-Y95 VanDerWaalsContact OE1-OH 3.11Å; Q93-T109 WeakPolarHBondContact O-CA 3.42Å; Q93-L110 HydrophobicContact CB-CD1 4.42Å; Q93-L110 PolarHBondContact N-O 2.95Å; Q93-L110 PolarHBondContact O-N 2.62Å; Q93-C112 HydrophobicContact CB-CB 4.05Å |
| 94 | S | 90.7 | Very high | 78.1 | Confident | 22 Ų | 22 | 85.8 Ų | 85.8 | 15% | 0.154 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.8 | 178.1 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | M107 F108 T109 Y144 | S94-M107 VanDerWaalsContact CB-CE 3.44Å; S94-F108 CarbonylContact C-O 3.56Å; S94-F108 WeakPolarHBondContact CA-O 2.94Å; S94-T109 WeakPolarHBondContact CB-OG1 3.03Å; S94-T109 PolarHBondContact OG-OG1 2.93Å; S94-Y144 WeakPolarHBondContact OG-CA 3.5Å; S94-Y144 WeakPolarHBondContact OG-CB 3.25Å |
| 95 | Y | 84.5 | Confident | 76.5 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.7 | -179.3 | -70.1 | -100.1 | 0 | 0 | 0 | 110.1 | Q93 M107 F108 L110 | Q93-Y95 HydrophobicContact CB-CE2 3.87Å; Q93-Y95 HydrophobicContact CG-CD2 4.21Å; Q93-Y95 HydrophobicContact CG-CE2 3.52Å; Q93-Y95 PolarHBondContact NE2-OH 2.81Å; Q93-Y95 PolarHBondContact OE1-OH 2.85Å; Q93-Y95 VanDerWaalsContact OE1-OH 3.11Å; Y95-M107 WeakPolarHBondContact O-CA 3.4Å; Y95-F108 HydrophobicContact CD2-CE2 4.31Å; Y95-F108 HydrophobicContact CG-CE2 4.25Å; Y95-F108 HydrophobicContact CG-CZ 4.26Å; Y95-F108 PolarHBondContact N-O 2.83Å; Y95-F108 PolarHBondContact O-N 2.65Å; Y95-L110 HydrophobicContact CD2-CD2 3.8Å; Y95-L110 HydrophobicContact CD2-CG 3.94Å; Y95-L110 HydrophobicContact CE2-CD1 3.93Å; Y95-L110 HydrophobicContact CE2-CD2 3.46Å; Y95-L110 VanDerWaalsContact CE2-CD2 3.46Å; Y95-L110 HydrophobicContact CE2-CG 3.58Å |
| 96 | R | 81.5 | Confident | 75.6 | Confident | 179 Ų | 179 | 80.5 Ų | 80.5 | 68% | 0.675 | 43% | 0.427 | S | S | * | . | trans | -110.6 | 114.4 | 167 | -175.5 | 176.2 | -65.9 | 159.7 | -0.5 | 108.3 | Q98 M107 | R96-Q98 PolarHBondContact O-N 3.13Å; R96-M107 HydrophobicContact CB-SD 3.88Å | ||
| 97 | P | 68.6 | Low | 75.1 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 24% | 0.24 | 42% | 0.421 | C | S | . | . | trans | -64.7 | 131.4 | 172.9 | 26.5 | -30.1 | 0 | 0 | 0 | 109.4 | N99 S104 E106 F108 | P97-N99 VanDerWaalsContact C-N 3.33Å; P97-S104 WeakPolarHBondContact CG-O 3.4Å; P97-E106 WeakPolarHBondContact CD-O 3.3Å; P97-F108 HydrophobicContact CG-CE1 4.32Å | ||
| 98 | Q | 61.5 | Low | 74.6 | Confident | 196 Ų | 196 | 76.2 Ų | 76.2 | 92% | 0.916 | 40% | 0.4 | S | S | * | . | trans | -90.6 | 13.5 | -178.3 | -88.1 | -170.5 | -11.8 | 0 | 0 | 113.9 | R96 | R96-Q98 PolarHBondContact O-N 3.13Š| ||
| 99 | N | 55.4 | Low | 74.4 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -98.4 | 114.2 | -171 | -155.4 | -21.9 | 0 | 0 | 0 | 111.2 | P97 N101 | P97-N99 VanDerWaalsContact C-N 3.33Å; N99-N101 PolarHBondContact O-N 3.23Å; N99-N101 VanDerWaalsContact O-N 3.13Å | ||
| 100 | Q | 52.6 | Low | 74.2 | Confident | 157 Ų | 157 | 75.5 Ų | 75.5 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | trans | -77.8 | 10.9 | -176.1 | -62.4 | -170.1 | 22.2 | 0 | 0 | 114.2 | ||||
| 101 | N | 49.9 | Very low | 74 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -107.9 | 81 | -170 | -66.8 | 4.8 | 0 | 0 | 0 | 111.9 | N99 C103 Q179 | N99-N101 PolarHBondContact O-N 3.23Å; N99-N101 VanDerWaalsContact O-N 3.13Å; N101-C103 PolarHBondContact O-N 3.16Å; N101-C103 VanDerWaalsContact O-N 3.12Å; N101-Q179 PolarHBondContact ND2-NE2 2.97Å |
| 102 | A | 49.7 | Very low | 73.8 | Confident | 109 Ų | 109 | 71.4 Ų | 71.4 | 90% | 0.901 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 48.6 | 42 | 156 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 103 | C | 49.4 | Very low | 73.8 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -153.1 | 103.2 | 156.6 | -142.6 | 0 | 0 | 0 | 0 | 109.2 | N101 R171 | N101-C103 PolarHBondContact O-N 3.16Å; N101-C103 VanDerWaalsContact O-N 3.12Å; C103-R171 PolarHBondContact SG-NH2 2.9Å |
| 104 | S | 52.3 | Low | 74 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 49% | 0.49 | 39% | 0.39 | S | S | . | . | trans | 34.5 | 96.8 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 117.3 | P97 E106 | P97-S104 WeakPolarHBondContact CG-O 3.4Å; S104-E106 VanDerWaalsContact CB-OE2 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.49Å; S104-E106 PolarHBondContact O-N 3.27Å | ||
| 105 | S | 57.1 | Low | 74.3 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | trans | -69.8 | 19.8 | 165.6 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 106 | E | 70.6 | Confident | 74.9 | Confident | 93 Ų | 93 | 82.1 Ų | 82.1 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | trans | -89.1 | 148.4 | -168.3 | -77.9 | 154.9 | 143.8 | 0 | 0 | 112 | P97 S104 F108 E140 | P97-E106 WeakPolarHBondContact CD-O 3.3Å; S104-E106 VanDerWaalsContact CB-OE2 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.49Å; S104-E106 PolarHBondContact O-N 3.27Å; E106-F108 PolarHBondContact O-N 2.81Å; E106-E140 HydrophobicContact CB-CG 4.37Å | ||
| 107 | M | 82.7 | Confident | 75.5 | Confident | 36 Ų | 36 | 80.5 Ų | 80.5 | 18% | 0.177 | 44% | 0.436 | C | S | . | . | trans | -67.6 | 128.9 | 174.1 | -155.8 | 92 | -176.7 | 0 | 0 | 108.7 | S94 Y95 R96 G141 F142 | S94-M107 VanDerWaalsContact CB-CE 3.44Å; Y95-M107 WeakPolarHBondContact O-CA 3.4Å; R96-M107 HydrophobicContact CB-SD 3.88Å; M107-G141 PolarHBondContact O-N 2.76Å; M107-F142 WeakPolarHBondContact CG-O 3.38Å | ||
| 108 | F | 87 | Confident | 76.9 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 151.2 | 169.8 | 66.2 | -89.8 | 0 | 0 | 0 | 110 | S94 Y95 P97 E106 L110 V130 L169 | S94-F108 CarbonylContact C-O 3.56Å; S94-F108 WeakPolarHBondContact CA-O 2.94Å; Y95-F108 HydrophobicContact CD2-CE2 4.31Å; Y95-F108 HydrophobicContact CG-CE2 4.25Å; Y95-F108 HydrophobicContact CG-CZ 4.26Å; Y95-F108 PolarHBondContact N-O 2.83Å; Y95-F108 PolarHBondContact O-N 2.65Å; P97-F108 HydrophobicContact CG-CE1 4.32Å; E106-F108 PolarHBondContact O-N 2.81Å; F108-L110 HydrophobicContact CE2-CD2 4.32Å; F108-V130 HydrophobicContact CB-CG1 4.47Å; F108-V130 HydrophobicContact CD2-CG2 4.15Å; F108-L169 HydrophobicContact CZ-CD2 4.5Å |
| 109 | T | 91.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.5 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | I92 Q93 S94 V130 L131 V147 | I92-T109 HydrophobicContact CB-CG2 3.77Å; I92-T109 HydrophobicContact CD1-CG2 3.97Å; I92-T109 HydrophobicContact CG1-CG2 4.43Å; I92-T109 HydrophobicContact CG2-CG2 4.21Å; Q93-T109 WeakPolarHBondContact O-CA 3.42Å; S94-T109 WeakPolarHBondContact CB-OG1 3.03Å; S94-T109 PolarHBondContact OG-OG1 2.93Å; T109-V130 WeakPolarHBondContact O-CA 3.26Å; T109-L131 HydrophobicContact CG2-CD1 4.34Å; T109-L131 WeakPolarHBondContact O-CD1 3.31Å; T109-L131 PolarHBondContact O-N 3.11Å; T109-V147 HydrophobicContact CG2-CG1 4.34Å |
| 110 | L | 91.4 | Very high | 80.5 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 157.3 | 178.4 | 64.8 | 78.9 | 0 | 0 | 0 | 111.8 | I92 Q93 Y95 F108 C112 D129 V130 L169 | I92-L110 CarbonylContact C-O 3.45Å; I92-L110 VanDerWaalsContact CA-O 3.26Å; I92-L110 WeakPolarHBondContact CA-O 3.5Å; Q93-L110 HydrophobicContact CB-CD1 4.42Å; Q93-L110 PolarHBondContact N-O 2.95Å; Q93-L110 PolarHBondContact O-N 2.62Å; Y95-L110 HydrophobicContact CD2-CD2 3.8Å; Y95-L110 HydrophobicContact CD2-CG 3.94Å; Y95-L110 HydrophobicContact CE2-CD1 3.93Å; Y95-L110 HydrophobicContact CE2-CD2 3.46Å; Y95-L110 VanDerWaalsContact CE2-CD2 3.46Å; Y95-L110 HydrophobicContact CE2-CG 3.58Å; F108-L110 HydrophobicContact CE2-CD2 4.32Å; L110-C112 HydrophobicContact CD1-CB 3.99Å; L110-D129 CarbonylContact C-O 3.52Å; L110-D129 WeakPolarHBondContact CA-O 3.05Å; L110-D129 WeakPolarHBondContact CB-O 3.46Å; L110-V130 HydrophobicContact CB-CG2 4.07Å; L110-L169 HydrophobicContact CD2-CD1 4.23Å; L110-L169 HydrophobicContact CD2-CD2 4.44Å |
| 111 | I | 93.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 117.1 | 170.1 | -56.4 | -178.9 | 0 | 0 | 0 | 107.9 | F90 E91 I92 K113 I114 L125 G128 D129 L131 | F90-I111 HydrophobicContact CB-CG2 4.13Å; F90-I111 HydrophobicContact CD2-CG1 4.4Å; E91-I111 CarbonylContact O-C 3.53Å; E91-I111 WeakPolarHBondContact O-CA 3.3Å; I92-I111 HydrophobicContact CG2-CG1 4.42Å; I111-K113 WeakPolarHBondContact CG2-O 3.48Å; I111-I114 HydrophobicContact CG2-CD1 3.97Å; I111-I114 HydrophobicContact CG2-CG1 3.58Å; I111-L125 HydrophobicContact CD1-CB 3.95Å; I111-L125 HydrophobicContact CD1-CD1 4.02Å; I111-L125 HydrophobicContact CD1-CD2 3.98Å; I111-L125 HydrophobicContact CD1-CG 4.2Å; I111-G128 PolarHBondContact O-N 2.83Å; I111-D129 HydrophobicContact CD1-CB 4.28Å; I111-D129 PolarHBondContact N-O 2.7Å; I111-L131 HydrophobicContact CG1-CD1 3.65Å; I111-L131 HydrophobicContact CG1-CG 4.49Å |
| 112 | C | 92.6 | Very high | 84.8 | Confident | 43 Ų | 43 | 65 Ų | 65 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -27.6 | -178.4 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | E91 Q93 L110 | E91-C112 VanDerWaalsContact CB-SG 3.52Å; E91-C112 PolarHBondContact O-N 3.45Å; E91-C112 PolarHBondContact O-SG 2.86Å; Q93-C112 HydrophobicContact CB-CB 4.05Å; L110-C112 HydrophobicContact CD1-CB 3.99Å |
| 113 | K | 94.8 | Very high | 86.9 | Confident | 111 Ų | 111 | 61.1 Ų | 61.1 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.2 | 170.9 | -52.2 | -158.1 | -157.1 | 84.4 | 0 | 111.6 | F90 E91 I111 | F90-K113 WeakPolarHBondContact CA-O 3.2Å; E91-K113 HydrophobicContact CB-CB 4.12Å; E91-K113 HydrophobicContact CG-CB 4.28Å; E91-K113 PolarHBondContact N-O 3.38Å; E91-K113 IonicContact OE1-NZ 2.7Å; E91-K113 PolarHBondContact OE1-NZ 2.79Å; E91-K113 IonicContact OE2-NZ 2.62Å; E91-K113 PolarHBondContact OE2-NZ 3.1Å; I111-K113 WeakPolarHBondContact CG2-O 3.48Å |
| 114 | I | 96.6 | Very high | 89 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.7 | 168.6 | -61.7 | -180 | 0 | 0 | 0 | 107.3 | G89 F90 I111 A120 H121 L125 | G89-I114 WeakPolarHBondContact O-CA 3.25Å; F90-I114 HydrophobicContact CB-CG1 4.14Å; I111-I114 HydrophobicContact CG2-CD1 3.97Å; I111-I114 HydrophobicContact CG2-CG1 3.58Å; I114-A120 HydrophobicContact CG2-CB 4.31Å; I114-H121 HydrophobicContact CG2-CB 3.87Å; I114-L125 HydrophobicContact CD1-CB 3.63Å; I114-L125 WeakPolarHBondContact CD1-O 3.19Å |
| 115 | Q | 97.4 | Very high | 90.9 | Very high | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 30% | 0.304 | S | S | * | . | trans | -80.8 | 133.7 | 175.5 | -179.4 | 178.4 | -10.5 | 0 | 0 | 109.5 | G89 S118 H121 | G89-Q115 WeakPolarHBondContact O-CB 3.44Å; G89-Q115 PolarHBondContact O-N 3.38Å; Q115-S118 VanDerWaalsContact O-CB 3.26Å; Q115-S118 WeakPolarHBondContact O-CB 3.39Å; Q115-S118 PolarHBondContact O-N 3.38Å; Q115-S118 PolarHBondContact O-OG 3.27Å; Q115-H121 WeakPolarHBondContact O-CB 3.3Å | ||
| 116 | E | 95.9 | Very high | 92.5 | Very high | 161 Ų | 161 | 58 Ų | 58 | 75% | 0.752 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 147.5 | 174.5 | -65.4 | 176.2 | 171.4 | 0 | 0 | 110.7 | S118 | E116-S118 PolarHBondContact O-N 3.43Š|
| 117 | D | 95.3 | Very high | 93.5 | Very high | 145 Ų | 145 | 56.4 Ų | 56.4 | 78% | 0.775 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 10.7 | -176.2 | -55.5 | -34.4 | 0 | 0 | 0 | 116.6 | ||
| 118 | S | 96.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -79.4 | 162.7 | 177.7 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | G89 Q115 E116 A120 H121 C122 | G89-S118 PolarHBondContact O-OG 2.89Å; Q115-S118 VanDerWaalsContact O-CB 3.26Å; Q115-S118 WeakPolarHBondContact O-CB 3.39Å; Q115-S118 PolarHBondContact O-N 3.38Å; Q115-S118 PolarHBondContact O-OG 3.27Å; E116-S118 PolarHBondContact O-N 3.43Å; S118-A120 VanDerWaalsContact C-N 3.27Å; S118-A120 PolarHBondContact O-N 2.63Å; S118-H121 WeakPolarHBondContact O-CA 3.37Å; S118-H121 WeakPolarHBondContact O-CB 3.43Å; S118-H121 PolarHBondContact O-N 2.76Å; S118-H121 PolarHBondContact OG-N 3.35Å; S118-C122 PolarHBondContact O-N 2.88Å; S118-C122 PolarHBondContact O-SG 2.86Å |
| 119 | P | 97.2 | Very high | 94 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.1 | -43.5 | 173.5 | -31.6 | 37.9 | 0 | 0 | 0 | 114.2 | V80 E81 K82 E86 H121 C122 A123 | V80-P119 VanDerWaalsContact CG1-C 3.49Å; V80-P119 HydrophobicContact CG1-CB 3.59Å; E81-P119 WeakPolarHBondContact O-CB 3.38Å; K82-P119 HydrophobicContact CB-CB 4.43Å; K82-P119 HydrophobicContact CB-CG 4.09Å; E86-P119 WeakPolarHBondContact OE1-CG 3.45Å; P119-H121 VanDerWaalsContact C-N 3.34Å; P119-H121 PolarHBondContact O-N 3.4Å; P119-C122 PolarHBondContact O-N 2.84Å; P119-A123 WeakPolarHBondContact O-CB 3.44Å; P119-A123 PolarHBondContact O-N 2.75Å |
| 120 | A | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F88 F90 I114 S118 G124 L125 | F88-A120 WeakPolarHBondContact O-CB 3.48Å; F88-A120 PolarHBondContact O-N 3.39Å; F90-A120 HydrophobicContact CB-CB 4.08Å; F90-A120 HydrophobicContact CD1-CB 3.78Å; F90-A120 HydrophobicContact CG-CB 4.36Å; I114-A120 HydrophobicContact CG2-CB 4.31Å; S118-A120 VanDerWaalsContact C-N 3.27Å; S118-A120 PolarHBondContact O-N 2.63Å; A120-G124 PolarHBondContact O-N 2.82Å; A120-L125 HydrophobicContact CB-CD1 3.84Å; A120-L125 WeakPolarHBondContact O-CB 3.27Å; A120-L125 PolarHBondContact O-N 2.86Å |
| 121 | H | 95.8 | Very high | 94 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 175.3 | -172.2 | 71 | 0 | 0 | 0 | 111.1 | I114 Q115 S118 P119 A123 G124 | I114-H121 HydrophobicContact CG2-CB 3.87Å; Q115-H121 WeakPolarHBondContact O-CB 3.3Å; S118-H121 WeakPolarHBondContact O-CA 3.37Å; S118-H121 WeakPolarHBondContact O-CB 3.43Å; S118-H121 PolarHBondContact O-N 2.76Å; S118-H121 PolarHBondContact OG-N 3.35Å; P119-H121 VanDerWaalsContact C-N 3.34Å; P119-H121 PolarHBondContact O-N 3.4Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.31Å; H121-G124 VanDerWaalsContact O-CA 3.3Å; H121-G124 WeakPolarHBondContact O-CA 3.49Å; H121-G124 PolarHBondContact O-N 2.86Å |
| 122 | C | 95.8 | Very high | 93.9 | Very high | 102 Ų | 102 | 55.2 Ų | 55.2 | 69% | 0.689 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.3 | -36.1 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | S118 P119 G124 | S118-C122 PolarHBondContact O-N 2.88Å; S118-C122 PolarHBondContact O-SG 2.86Å; P119-C122 PolarHBondContact O-N 2.84Å; C122-G124 PolarHBondContact O-N 2.83Å |
| 123 | A | 94.8 | Very high | 94 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V78 V80 P119 H121 | V78-A123 HydrophobicContact CG1-CB 3.51Å; V78-A123 VanDerWaalsContact CG1-O 3.3Å; V78-A123 WeakPolarHBondContact CG1-O 3.32Å; V80-A123 HydrophobicContact CB-CB 4.42Å; V80-A123 HydrophobicContact CG1-CB 4.37Å; V80-A123 HydrophobicContact CG2-CB 3.89Å; P119-A123 WeakPolarHBondContact O-CB 3.44Å; P119-A123 PolarHBondContact O-N 2.75Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.31Å |
| 124 | G | 92.1 | Very high | 94.1 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 27.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K76 A120 H121 C122 | K76-G124 PolarHBondContact NZ-O 2.91Å; A120-G124 PolarHBondContact O-N 2.82Å; H121-G124 VanDerWaalsContact O-CA 3.3Å; H121-G124 WeakPolarHBondContact O-CA 3.49Å; H121-G124 PolarHBondContact O-N 2.86Å; C122-G124 PolarHBondContact O-N 2.83Å |
| 125 | L | 93.2 | Very high | 94 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | trans | -61.1 | 153.3 | 165.1 | -68.4 | 171.8 | 0 | 0 | 0 | 109.5 | V78 V80 F90 I111 I114 A120 I160 T162 | V78-L125 HydrophobicContact CB-CD2 3.92Å; V78-L125 HydrophobicContact CG1-CD2 3.98Å; V78-L125 HydrophobicContact CG1-CG 4.02Å; V78-L125 HydrophobicContact CG2-CD2 3.91Å; V80-L125 HydrophobicContact CG2-CD1 3.81Å; F90-L125 HydrophobicContact CD1-CD1 4.45Å; I111-L125 HydrophobicContact CD1-CB 3.95Å; I111-L125 HydrophobicContact CD1-CD1 4.02Å; I111-L125 HydrophobicContact CD1-CD2 3.98Å; I111-L125 HydrophobicContact CD1-CG 4.2Å; I114-L125 HydrophobicContact CD1-CB 3.63Å; I114-L125 WeakPolarHBondContact CD1-O 3.19Å; A120-L125 HydrophobicContact CB-CD1 3.84Å; A120-L125 WeakPolarHBondContact O-CB 3.27Å; A120-L125 PolarHBondContact O-N 2.86Å; L125-I160 HydrophobicContact CD1-CD1 3.94Å; L125-T162 HydrophobicContact CD2-CG2 3.81Å | ||
| 126 | Q | 91.5 | Very high | 93.8 | Very high | 131 Ų | 131 | 48.1 Ų | 48.1 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | trans | -127.4 | 146 | 177.2 | -63.3 | -169.6 | -7 | 0 | 0 | 112.4 | G128 D129 | Q126-G128 PolarHBondContact O-N 3.17Å; Q126-D129 PolarHBondContact N-OD2 2.95Å; Q126-D129 VanDerWaalsContact O-CB 3.3Å; Q126-D129 WeakPolarHBondContact O-CB 3.47Å; Q126-D129 PolarHBondContact O-N 2.76Å; Q126-D129 VanDerWaalsContact O-N 3.1Å | ||
| 127 | A | 90.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 129.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 128 | G | 88.2 | Confident | 93.7 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -8.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I111 Q126 G165 | I111-G128 PolarHBondContact O-N 2.83Å; Q126-G128 PolarHBondContact O-N 3.17Å; G128-G165 CarbonylContact O-C 3.51Å; G128-G165 WeakPolarHBondContact O-CA 3.4Å; G128-G165 PolarHBondContact O-N 3.04Å; G128-G165 VanDerWaalsContact O-N 3.17Å |
| 129 | D | 91 | Very high | 93.5 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 135.1 | 171.3 | -78.4 | -22.9 | 0 | 0 | 0 | 111.4 | L110 I111 Q126 T162 | L110-D129 CarbonylContact C-O 3.52Å; L110-D129 WeakPolarHBondContact CA-O 3.05Å; L110-D129 WeakPolarHBondContact CB-O 3.46Å; I111-D129 HydrophobicContact CD1-CB 4.28Å; I111-D129 PolarHBondContact N-O 2.7Å; Q126-D129 PolarHBondContact N-OD2 2.95Å; Q126-D129 VanDerWaalsContact O-CB 3.3Å; Q126-D129 WeakPolarHBondContact O-CB 3.47Å; Q126-D129 PolarHBondContact O-N 2.76Å; Q126-D129 VanDerWaalsContact O-N 3.1Å; D129-T162 HydrophobicContact CB-CG2 4.06Å |
| 130 | V | 91.1 | Very high | 93.1 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.1 | 172.8 | 168.7 | 0 | 0 | 0 | 0 | 109.1 | F108 T109 L110 A132 T162 L163 I168 | F108-V130 HydrophobicContact CB-CG1 4.47Å; F108-V130 HydrophobicContact CD2-CG2 4.15Å; T109-V130 WeakPolarHBondContact O-CA 3.26Å; L110-V130 HydrophobicContact CB-CG2 4.07Å; V130-A132 PolarHBondContact O-N 2.88Å; V130-T162 CarbonylContact O-C 3.51Å; V130-T162 VanDerWaalsContact O-CA 3.22Å; V130-T162 WeakPolarHBondContact O-CA 3.37Å; V130-L163 HydrophobicContact CB-CB 4.43Å; V130-L163 PolarHBondContact N-O 2.83Å; V130-L163 PolarHBondContact O-N 2.8Å; V130-I168 HydrophobicContact CB-CD1 4.11Å; V130-I168 HydrophobicContact CG1-CD1 4.42Å; V130-I168 HydrophobicContact CG2-CD1 3.94Å |
| 131 | L | 92.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 118.4 | 173.7 | -63.3 | 81.6 | 0 | 0 | 0 | 108.4 | I92 T109 I111 I134 T139 V147 I160 | I92-L131 HydrophobicContact CG2-CD1 3.82Å; I92-L131 HydrophobicContact CG2-CD2 4.17Å; T109-L131 HydrophobicContact CG2-CD1 4.34Å; T109-L131 WeakPolarHBondContact O-CD1 3.31Å; T109-L131 PolarHBondContact O-N 3.11Å; I111-L131 HydrophobicContact CG1-CD1 3.65Å; I111-L131 HydrophobicContact CG1-CG 4.49Å; L131-I134 HydrophobicContact CD2-CD1 3.77Å; L131-I134 HydrophobicContact CD2-CG1 4.3Å; L131-T139 PolarHBondContact O-OG1 3.35Å; L131-V147 HydrophobicContact CD2-CG1 4.5Å; L131-I160 HydrophobicContact CB-CG2 4.47Å; L131-I160 HydrophobicContact CD2-CG2 4.2Å; L131-I160 HydrophobicContact CG-CG2 4.11Å |
| 132 | A | 92.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -49.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V130 S138 T139 E161 L163 | V130-A132 PolarHBondContact O-N 2.88Å; A132-S138 WeakPolarHBondContact O-CA 3.37Å; A132-T139 PolarHBondContact O-N 2.96Å; A132-T139 PolarHBondContact O-OG1 2.91Å; A132-T139 VanDerWaalsContact O-OG1 3.13Å; A132-E161 PolarHBondContact N-O 2.59Å; A132-L163 HydrophobicContact CB-CD1 4.13Å; A132-L163 HydrophobicContact CB-CD2 4.07Å; A132-L163 HydrophobicContact CB-CG 3.88Å |
| 133 | N | 94.6 | Very high | 92.3 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.8 | 174.9 | -63.4 | -43.5 | 0 | 0 | 0 | 110.9 | V137 S138 I160 E161 | N133-V137 CarbonylContact C-O 3.43Å; N133-V137 VanDerWaalsContact CA-O 3.24Å; N133-V137 WeakPolarHBondContact CA-O 3.5Å; N133-S138 WeakPolarHBondContact OD1-CA 3.18Å; N133-S138 WeakPolarHBondContact OD1-CB 3.32Å; N133-S138 PolarHBondContact OD1-N 2.83Å; N133-I160 WeakPolarHBondContact O-CA 3.44Å; N133-E161 HydrophobicContact CB-CB 3.84Å; N133-E161 PolarHBondContact N-O 2.75Å; N133-E161 PolarHBondContact ND2-OE2 3.12Å; N133-E161 PolarHBondContact O-N 3.08Å |
| 134 | I | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.1 | 169.7 | -59.5 | -180 | 0 | 0 | 0 | 108 | L131 G136 V137 T139 V147 L150 I151 L158 T159 | L131-I134 HydrophobicContact CD2-CD1 3.77Å; L131-I134 HydrophobicContact CD2-CG1 4.3Å; I134-G136 PolarHBondContact O-N 2.92Å; I134-G136 VanDerWaalsContact O-N 3.16Å; I134-V137 PolarHBondContact N-O 2.83Å; I134-V137 WeakPolarHBondContact O-CB 3.43Å; I134-V137 PolarHBondContact O-N 3.34Å; I134-T139 HydrophobicContact CB-CG2 4.33Å; I134-T139 HydrophobicContact CD1-CG2 3.79Å; I134-T139 HydrophobicContact CG1-CG2 3.83Å; I134-V147 HydrophobicContact CD1-CG1 3.77Å; I134-L150 HydrophobicContact CB-CD2 3.8Å; I134-L150 HydrophobicContact CB-CG 4.24Å; I134-L150 HydrophobicContact CD1-CD2 4.46Å; I134-L150 HydrophobicContact CG2-CD2 4.2Å; I134-L150 HydrophobicContact CG2-CG 4.06Å; I134-I151 HydrophobicContact CD1-CD1 4.05Å; I134-I151 HydrophobicContact CD1-CG1 3.72Å; I134-L158 HydrophobicContact CG2-CD1 3.54Å; I134-T159 CarbonylContact C-O 3.55Å; I134-T159 WeakPolarHBondContact CA-O 3.23Å |
| 135 | N | 95 | Very high | 92.4 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 38.4 | -173.5 | -73.9 | -21 | 0 | 0 | 0 | 113.2 | V137 S154 T159 | N135-V137 VanDerWaalsContact C-N 3.3Å; N135-V137 PolarHBondContact O-N 2.98Å; N135-S154 VanDerWaalsContact ND2-CB 3.27Å; N135-S154 WeakPolarHBondContact ND2-CB 3.5Å; N135-S154 PolarHBondContact ND2-OG 2.74Å; N135-T159 PolarHBondContact N-O 3.22Å; N135-T159 WeakPolarHBondContact OD1-CB 3.28Å; N135-T159 PolarHBondContact OD1-N 2.83Å |
| 136 | G | 92.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -2.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I134 | I134-G136 PolarHBondContact O-N 2.92Å; I134-G136 VanDerWaalsContact O-N 3.16Å |
| 137 | V | 95.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.6 | 176 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | N133 I134 N135 F142 L150 | N133-V137 CarbonylContact C-O 3.43Å; N133-V137 VanDerWaalsContact CA-O 3.24Å; N133-V137 WeakPolarHBondContact CA-O 3.5Å; I134-V137 PolarHBondContact N-O 2.83Å; I134-V137 WeakPolarHBondContact O-CB 3.43Å; I134-V137 PolarHBondContact O-N 3.34Å; N135-V137 VanDerWaalsContact C-N 3.3Å; N135-V137 PolarHBondContact O-N 2.98Å; V137-F142 HydrophobicContact CG1-CE2 4.36Å; V137-F142 HydrophobicContact CG1-CZ 4.12Å; V137-L150 HydrophobicContact CB-CD2 4.18Å; V137-L150 HydrophobicContact CG1-CD2 4.23Å |
| 138 | S | 93.3 | Very high | 93 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 134 | 174.5 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | A132 N133 E140 F142 | A132-S138 WeakPolarHBondContact O-CA 3.37Å; N133-S138 WeakPolarHBondContact OD1-CA 3.18Å; N133-S138 WeakPolarHBondContact OD1-CB 3.32Å; N133-S138 PolarHBondContact OD1-N 2.83Å; S138-E140 WeakPolarHBondContact OG-CB 3.16Å; S138-E140 PolarHBondContact OG-N 3.32Å; S138-F142 WeakPolarHBondContact O-CE1 3.42Å; S138-F142 WeakPolarHBondContact O-CZ 3.22Å |
| 139 | T | 92.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | trans | -99.3 | 9.7 | 175.2 | 51.2 | 0 | 0 | 0 | 0 | 113 | L131 A132 I134 G141 F142 V147 L150 | L131-T139 PolarHBondContact O-OG1 3.35Å; A132-T139 PolarHBondContact O-N 2.96Å; A132-T139 PolarHBondContact O-OG1 2.91Å; A132-T139 VanDerWaalsContact O-OG1 3.13Å; I134-T139 HydrophobicContact CB-CG2 4.33Å; I134-T139 HydrophobicContact CD1-CG2 3.79Å; I134-T139 HydrophobicContact CG1-CG2 3.83Å; T139-G141 PolarHBondContact O-N 3.48Å; T139-F142 HydrophobicContact CG2-CD2 4.33Å; T139-F142 WeakPolarHBondContact O-CB 3.02Å; T139-F142 PolarHBondContact O-N 3.4Å; T139-V147 HydrophobicContact CG2-CG2 4.25Å; T139-L150 HydrophobicContact CG2-CD2 4.06Å | ||
| 140 | E | 88.3 | Confident | 93.7 | Very high | 121 Ų | 121 | 51.7 Ų | 51.7 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 128.9 | 173.7 | -171.2 | 159.8 | -127.9 | 0 | 0 | 110.8 | E106 S138 F142 | E106-E140 HydrophobicContact CB-CG 4.37Å; S138-E140 WeakPolarHBondContact OG-CB 3.16Å; S138-E140 PolarHBondContact OG-N 3.32Å; E140-F142 PolarHBondContact O-N 3.49Å; E140-F142 VanDerWaalsContact O-N 3.13Å |
| 141 | G | 86.7 | Confident | 93.9 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -6.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | M107 T139 | M107-G141 PolarHBondContact O-N 2.76Å; T139-G141 PolarHBondContact O-N 3.48Å |
| 142 | F | 92.7 | Very high | 94 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | trans | -68.6 | 138.1 | -179.2 | -80.7 | 29.9 | 0 | 0 | 0 | 111.3 | M107 V137 S138 T139 E140 Q146 V147 L150 | M107-F142 WeakPolarHBondContact CG-O 3.38Å; V137-F142 HydrophobicContact CG1-CE2 4.36Å; V137-F142 HydrophobicContact CG1-CZ 4.12Å; S138-F142 WeakPolarHBondContact O-CE1 3.42Å; S138-F142 WeakPolarHBondContact O-CZ 3.22Å; T139-F142 HydrophobicContact CG2-CD2 4.33Å; T139-F142 WeakPolarHBondContact O-CB 3.02Å; T139-F142 PolarHBondContact O-N 3.4Å; E140-F142 PolarHBondContact O-N 3.49Å; E140-F142 VanDerWaalsContact O-N 3.13Å; F142-Q146 HydrophobicContact CB-CB 4.19Å; F142-Q146 HydrophobicContact CD2-CB 3.81Å; F142-Q146 HydrophobicContact CG-CB 4.2Å; F142-V147 HydrophobicContact CB-CG2 3.73Å; F142-V147 HydrophobicContact CD2-CG2 4.49Å; F142-L150 HydrophobicContact CE2-CD2 4.23Å | ||
| 143 | T | 92.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 65 Ų | 65 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | trans | -68.7 | 154 | 168.6 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | K145 Q146 V147 | T143-K145 PolarHBondContact O-N 3.19Å; T143-K145 VanDerWaalsContact O-N 3.08Å; T143-Q146 PolarHBondContact O-N 3Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.43Å; T143-Q146 PolarHBondContact OG1-N 2.88Å; T143-Q146 PolarHBondContact OG1-OE1 3.17Å; T143-V147 PolarHBondContact O-N 3.35Å; T143-V147 VanDerWaalsContact O-N 3.12Å | ||
| 144 | Y | 93.8 | Very high | 94.1 | Very high | 121 Ų | 121 | 64.6 Ų | 64.6 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -44.8 | -44.4 | 174.6 | 177.7 | -95.8 | 0 | 0 | 0 | 113 | I92 S94 V147 V148 | I92-Y144 HydrophobicContact CD1-CD2 4.34Å; I92-Y144 HydrophobicContact CD1-CE2 4.04Å; I92-Y144 HydrophobicContact CG1-CE2 3.87Å; I92-Y144 WeakPolarHBondContact O-CE2 3.33Å; S94-Y144 WeakPolarHBondContact OG-CA 3.5Å; S94-Y144 WeakPolarHBondContact OG-CB 3.25Å; Y144-V147 PolarHBondContact O-N 3.1Å; Y144-V148 HydrophobicContact CD1-CG2 4.17Å; Y144-V148 HydrophobicContact CE1-CG2 3.7Å; Y144-V148 HydrophobicContact CE2-CG2 4.23Å; Y144-V148 WeakPolarHBondContact O-CG2 3.34Å; Y144-V148 PolarHBondContact O-N 3.27Å |
| 145 | K | 95.6 | Very high | 94 | Very high | 142 Ų | 142 | 66.3 Ų | 66.3 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 179.2 | -175.1 | 179.8 | 174.7 | -174.7 | 0 | 112.1 | T143 V147 V148 D149 | T143-K145 PolarHBondContact O-N 3.19Å; T143-K145 VanDerWaalsContact O-N 3.08Å; K145-V147 VanDerWaalsContact C-N 3.31Å; K145-V147 PolarHBondContact O-N 3.19Å; K145-V148 PolarHBondContact O-N 3.28Å; K145-D149 VanDerWaalsContact CE-OD2 3.25Å; K145-D149 WeakPolarHBondContact CE-OD2 3.43Å; K145-D149 WeakPolarHBondContact CG-OD2 3.41Å; K145-D149 WeakPolarHBondContact O-CB 3.24Å; K145-D149 PolarHBondContact O-N 3.25Å |
| 146 | Q | 95.8 | Very high | 94.1 | Very high | 92 Ų | 92 | 65.6 Ų | 65.6 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 178.8 | -71.1 | 162 | -62.4 | 0 | 0 | 111.9 | F142 T143 L150 | F142-Q146 HydrophobicContact CB-CB 4.19Å; F142-Q146 HydrophobicContact CD2-CB 3.81Å; F142-Q146 HydrophobicContact CG-CB 4.2Å; T143-Q146 PolarHBondContact O-N 3Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.43Å; T143-Q146 PolarHBondContact OG1-N 2.88Å; T143-Q146 PolarHBondContact OG1-OE1 3.17Å; Q146-L150 VanDerWaalsContact O-CB 3.28Å; Q146-L150 WeakPolarHBondContact O-CB 2.86Å; Q146-L150 PolarHBondContact O-N 2.86Å |
| 147 | V | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | I92 T109 L131 I134 T139 F142 T143 Y144 K145 L150 I151 | I92-V147 HydrophobicContact CD1-CB 4.28Å; I92-V147 HydrophobicContact CD1-CG1 3.76Å; T109-V147 HydrophobicContact CG2-CG1 4.34Å; L131-V147 HydrophobicContact CD2-CG1 4.5Å; I134-V147 HydrophobicContact CD1-CG1 3.77Å; T139-V147 HydrophobicContact CG2-CG2 4.25Å; F142-V147 HydrophobicContact CB-CG2 3.73Å; F142-V147 HydrophobicContact CD2-CG2 4.49Å; T143-V147 PolarHBondContact O-N 3.35Å; T143-V147 VanDerWaalsContact O-N 3.12Å; Y144-V147 PolarHBondContact O-N 3.1Å; K145-V147 VanDerWaalsContact C-N 3.31Å; K145-V147 PolarHBondContact O-N 3.19Å; V147-L150 PolarHBondContact O-N 2.81Å; V147-I151 HydrophobicContact CG1-CD1 4.01Å; V147-I151 WeakPolarHBondContact O-CG1 3.25Å; V147-I151 PolarHBondContact O-N 3.45Å |
| 148 | V | 96.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | I92 Y144 K145 L150 I151 R152 | I92-V148 HydrophobicContact CD1-CG2 3.91Å; Y144-V148 HydrophobicContact CD1-CG2 4.17Å; Y144-V148 HydrophobicContact CE1-CG2 3.7Å; Y144-V148 HydrophobicContact CE2-CG2 4.23Å; Y144-V148 WeakPolarHBondContact O-CG2 3.34Å; Y144-V148 PolarHBondContact O-N 3.27Å; K145-V148 PolarHBondContact O-N 3.28Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 2.88Å; V148-I151 PolarHBondContact O-N 3.03Å; V148-R152 WeakPolarHBondContact O-CB 3.25Å; V148-R152 VanDerWaalsContact O-CG 3.31Å; V148-R152 WeakPolarHBondContact O-CG 3.46Å; V148-R152 PolarHBondContact O-N 3.02Å |
| 149 | D | 96.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | -179.9 | -68.3 | -17.6 | 0 | 0 | 0 | 110.8 | K145 R152 S153 | K145-D149 VanDerWaalsContact CE-OD2 3.25Å; K145-D149 WeakPolarHBondContact CE-OD2 3.43Å; K145-D149 WeakPolarHBondContact CG-OD2 3.41Å; K145-D149 WeakPolarHBondContact O-CB 3.24Å; K145-D149 PolarHBondContact O-N 3.25Å; D149-R152 PolarHBondContact O-N 2.89Å; D149-S153 PolarHBondContact O-N 2.91Å; D149-S153 PolarHBondContact O-OG 2.86Å |
| 150 | L | 96.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 174 | -175.4 | 62.6 | 0 | 0 | 0 | 113.1 | I134 V137 T139 F142 Q146 V147 V148 R152 S153 S154 | I134-L150 HydrophobicContact CB-CD2 3.8Å; I134-L150 HydrophobicContact CB-CG 4.24Å; I134-L150 HydrophobicContact CD1-CD2 4.46Å; I134-L150 HydrophobicContact CG2-CD2 4.2Å; I134-L150 HydrophobicContact CG2-CG 4.06Å; V137-L150 HydrophobicContact CB-CD2 4.18Å; V137-L150 HydrophobicContact CG1-CD2 4.23Å; T139-L150 HydrophobicContact CG2-CD2 4.06Å; F142-L150 HydrophobicContact CE2-CD2 4.23Å; Q146-L150 VanDerWaalsContact O-CB 3.28Å; Q146-L150 WeakPolarHBondContact O-CB 2.86Å; Q146-L150 PolarHBondContact O-N 2.86Å; V147-L150 PolarHBondContact O-N 2.81Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 2.88Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.26Å; L150-S153 PolarHBondContact O-OG 3.46Å; L150-S154 PolarHBondContact O-N 3.16Å; L150-S154 PolarHBondContact O-OG 2.72Å |
| 151 | I | 95.9 | Very high | 95 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 172.9 | -69.9 | 164.2 | 0 | 0 | 0 | 110.4 | F88 F90 I92 I134 V147 V148 S154 L158 | F88-I151 HydrophobicContact CD2-CG2 4.11Å; F88-I151 HydrophobicContact CE2-CG2 4.08Å; F90-I151 HydrophobicContact CE2-CD1 4.13Å; F90-I151 HydrophobicContact CZ-CD1 4.08Å; I92-I151 HydrophobicContact CD1-CD1 4.09Å; I134-I151 HydrophobicContact CD1-CD1 4.05Å; I134-I151 HydrophobicContact CD1-CG1 3.72Å; V147-I151 HydrophobicContact CG1-CD1 4.01Å; V147-I151 WeakPolarHBondContact O-CG1 3.25Å; V147-I151 PolarHBondContact O-N 3.45Å; V148-I151 PolarHBondContact O-N 3.03Å; I151-S154 WeakPolarHBondContact O-CB 3.41Å; I151-S154 PolarHBondContact O-N 2.85Å; I151-L158 HydrophobicContact CB-CD1 4.5Å; I151-L158 HydrophobicContact CG1-CD1 4.32Å; I151-L158 HydrophobicContact CG1-CD2 4.38Å; I151-L158 HydrophobicContact CG2-CD1 4.43Å; I151-L158 HydrophobicContact CG2-CD2 4.01Å |
| 152 | R | 94.6 | Very high | 95.3 | Very high | 193 Ų | 193 | 57 Ų | 57 | 73% | 0.728 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.6 | -38.8 | 179.6 | -73.4 | 177.9 | 119.4 | 129.6 | 3.9 | 113.3 | V148 D149 L150 S154 G155 | V148-R152 WeakPolarHBondContact O-CB 3.25Å; V148-R152 VanDerWaalsContact O-CG 3.31Å; V148-R152 WeakPolarHBondContact O-CG 3.46Å; V148-R152 PolarHBondContact O-N 3.02Å; D149-R152 PolarHBondContact O-N 2.89Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.26Å; R152-S154 PolarHBondContact O-N 2.92Å; R152-G155 PolarHBondContact O-N 2.74Å |
| 153 | S | 95.4 | Very high | 95.1 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.5 | -15.4 | 177.4 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | D149 L150 G155 | D149-S153 PolarHBondContact O-N 2.91Å; D149-S153 PolarHBondContact O-OG 2.86Å; L150-S153 PolarHBondContact O-OG 3.46Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 2.97Å |
| 154 | S | 94.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 55.3 Ų | 55.3 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.9 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 114 | N135 L150 I151 R152 N156 L158 | N135-S154 VanDerWaalsContact ND2-CB 3.27Å; N135-S154 WeakPolarHBondContact ND2-CB 3.5Å; N135-S154 PolarHBondContact ND2-OG 2.74Å; L150-S154 PolarHBondContact O-N 3.16Å; L150-S154 PolarHBondContact O-OG 2.72Å; I151-S154 WeakPolarHBondContact O-CB 3.41Å; I151-S154 PolarHBondContact O-N 2.85Å; R152-S154 PolarHBondContact O-N 2.92Å; S154-N156 PolarHBondContact O-N 3.04Å; S154-L158 WeakPolarHBondContact OG-CD1 3.36Å |
| 155 | G | 94.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 49.6 Ų | 49.6 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -123.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K82 F88 R152 S153 | K82-G155 PolarHBondContact NZ-O 2.95Å; F88-G155 WeakPolarHBondContact CZ-O 3.47Å; R152-G155 PolarHBondContact O-N 2.74Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 2.97Å |
| 156 | N | 96.5 | Very high | 92.3 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -12.4 | -174 | -70.6 | -8.5 | 0 | 0 | 0 | 114.6 | E81 K82 D84 S154 | E81-N156 WeakPolarHBondContact CA-O 3.48Å; K82-N156 HydrophobicContact CG-CB 4.38Å; K82-N156 PolarHBondContact N-O 3.05Å; K82-N156 PolarHBondContact NZ-OD1 3.37Å; K82-N156 WeakPolarHBondContact O-CB 3.35Å; D84-N156 PolarHBondContact OD1-ND2 3.1Å; S154-N156 PolarHBondContact O-N 3.04Å |
| 157 | L | 96.3 | Very high | 91.1 | Very high | 90 Ų | 90 | 47 Ų | 47 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.3 | -178.4 | -171.4 | 67.7 | 0 | 0 | 0 | 110.3 | T79 E81 | T79-L157 HydrophobicContact CG2-CD1 3.5Å; T79-L157 VanDerWaalsContact CG2-CD1 3.5Å; T79-L157 HydrophobicContact CG2-CG 4.22Å; E81-L157 HydrophobicContact CB-CD1 3.98Å; E81-L157 HydrophobicContact CG-CD1 4.34Å |
| 158 | L | 97.4 | Very high | 90 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 110.2 | -173.7 | -172.9 | 72.5 | 0 | 0 | 0 | 110.3 | V80 F88 F90 I134 I151 S154 I160 | V80-L158 PolarHBondContact N-O 3.4Å; V80-L158 PolarHBondContact O-N 2.99Å; F88-L158 HydrophobicContact CD1-CB 4.4Å; F88-L158 HydrophobicContact CD1-CD2 4.5Å; F88-L158 HydrophobicContact CD2-CD2 3.92Å; F88-L158 HydrophobicContact CE1-CB 3.72Å; F88-L158 HydrophobicContact CE1-CD2 4.46Å; F88-L158 HydrophobicContact CE2-CB 4.13Å; F88-L158 HydrophobicContact CE2-CD2 3.89Å; F88-L158 HydrophobicContact CG-CD2 4.25Å; F88-L158 HydrophobicContact CZ-CB 3.57Å; F88-L158 HydrophobicContact CZ-CD2 4.17Å; F88-L158 HydrophobicContact CZ-CG 4.42Å; F90-L158 HydrophobicContact CE1-CD2 3.97Å; F90-L158 HydrophobicContact CZ-CD2 3.87Å; I134-L158 HydrophobicContact CG2-CD1 3.54Å; I151-L158 HydrophobicContact CB-CD1 4.5Å; I151-L158 HydrophobicContact CG1-CD1 4.32Å; I151-L158 HydrophobicContact CG1-CD2 4.38Å; I151-L158 HydrophobicContact CG2-CD1 4.43Å; I151-L158 HydrophobicContact CG2-CD2 4.01Å; S154-L158 WeakPolarHBondContact OG-CD1 3.36Å; L158-I160 HydrophobicContact CD2-CD1 3.72Å; L158-I160 HydrophobicContact CD2-CG1 3.99Å; L158-I160 HydrophobicContact CG-CD1 4.17Å; L158-I160 HydrophobicContact CG-CG1 3.86Å |
| 159 | T | 97.4 | Very high | 89 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.7 | 172.7 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | L77 V78 I134 N135 | L77-T159 HydrophobicContact CD1-CG2 3.59Å; L77-T159 HydrophobicContact CG-CG2 4.08Å; V78-T159 CarbonylContact O-C 3.55Å; V78-T159 WeakPolarHBondContact O-CA 3.38Å; I134-T159 CarbonylContact C-O 3.55Å; I134-T159 WeakPolarHBondContact CA-O 3.23Å; N135-T159 PolarHBondContact N-O 3.22Å; N135-T159 WeakPolarHBondContact OD1-CB 3.28Å; N135-T159 PolarHBondContact OD1-N 2.83Å |
| 160 | I | 96.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.5 | -179.5 | -45.8 | -177.3 | 0 | 0 | 0 | 108.8 | V78 F90 L125 L131 N133 L158 T162 | V78-I160 PolarHBondContact N-O 2.77Å; V78-I160 PolarHBondContact O-N 3.36Å; F90-I160 HydrophobicContact CE1-CD1 4.32Å; F90-I160 HydrophobicContact CZ-CD1 3.99Å; L125-I160 HydrophobicContact CD1-CD1 3.94Å; L131-I160 HydrophobicContact CB-CG2 4.47Å; L131-I160 HydrophobicContact CD2-CG2 4.2Å; L131-I160 HydrophobicContact CG-CG2 4.11Å; N133-I160 WeakPolarHBondContact O-CA 3.44Å; L158-I160 HydrophobicContact CD2-CD1 3.72Å; L158-I160 HydrophobicContact CD2-CG1 3.99Å; L158-I160 HydrophobicContact CG-CD1 4.17Å; L158-I160 HydrophobicContact CG-CG1 3.86Å; I160-T162 HydrophobicContact CG2-CG2 3.71Å |
| 161 | E | 94.5 | Very high | 87.3 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.7 | 164.2 | -164.3 | -179.7 | 153.1 | 0 | 0 | 108.4 | R75 L77 A132 N133 | R75-E161 WeakPolarHBondContact CD-OE1 3.43Å; R75-E161 IonicContact CZ-OE1 3.36Å; R75-E161 IonicContact NE-OE1 2.78Å; R75-E161 IonicContact NH1-OE1 3.16Å; R75-E161 PolarHBondContact NH1-OE1 2.8Å; L77-E161 HydrophobicContact CD1-CB 4.07Å; L77-E161 HydrophobicContact CD1-CG 4.47Å; A132-E161 PolarHBondContact N-O 2.59Å; N133-E161 HydrophobicContact CB-CB 3.84Å; N133-E161 PolarHBondContact N-O 2.75Å; N133-E161 PolarHBondContact ND2-OE2 3.12Å; N133-E161 PolarHBondContact O-N 3.08Å |
| 162 | T | 91.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.3 | 179.2 | 60.4 | 0 | 0 | 0 | 0 | 112.6 | R75 K76 L125 D129 V130 I160 | R75-T162 CarbonylContact C-O 3.59Å; R75-T162 WeakPolarHBondContact CA-O 3.36Å; K76-T162 PolarHBondContact N-O 3.49Å; K76-T162 PolarHBondContact O-N 2.95Å; K76-T162 PolarHBondContact O-OG1 3.04Å; L125-T162 HydrophobicContact CD2-CG2 3.81Å; D129-T162 HydrophobicContact CB-CG2 4.06Å; V130-T162 CarbonylContact O-C 3.51Å; V130-T162 VanDerWaalsContact O-CA 3.22Å; V130-T162 WeakPolarHBondContact O-CA 3.37Å; I160-T162 HydrophobicContact CG2-CG2 3.71Å |
| 163 | L | 88.7 | Confident | 86 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 12% | 0.12 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.7 | 168 | -43.2 | 177.3 | 0 | 0 | 0 | 108 | R75 V130 A132 G165 I168 | R75-L163 HydrophobicContact CB-CD2 4.31Å; R75-L163 HydrophobicContact CG-CD2 3.57Å; V130-L163 HydrophobicContact CB-CB 4.43Å; V130-L163 PolarHBondContact N-O 2.83Å; V130-L163 PolarHBondContact O-N 2.8Å; A132-L163 HydrophobicContact CB-CD1 4.13Å; A132-L163 HydrophobicContact CB-CD2 4.07Å; A132-L163 HydrophobicContact CB-CG 3.88Å; L163-G165 PolarHBondContact O-N 3.08Å; L163-I168 HydrophobicContact CB-CD1 4.03Å; L163-I168 HydrophobicContact CD1-CD1 4.1Å |
| 164 | N | 82.2 | Confident | 85.5 | Confident | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | trans | -62.6 | 94 | 174.2 | 179.5 | -4.7 | 0 | 0 | 0 | 110.8 | T166 M167 | N164-T166 PolarHBondContact O-N 3.35Å; N164-T166 WeakPolarHBondContact OD1-CB 3.44Å; N164-T166 PolarHBondContact OD1-N 3.04Å; N164-T166 PolarHBondContact OD1-OG1 2.86Å; N164-M167 PolarHBondContact O-N 3.38Å | ||
| 165 | G | 70.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74 | -12 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G128 L163 M167 I168 L169 | G128-G165 CarbonylContact O-C 3.51Å; G128-G165 WeakPolarHBondContact O-CA 3.4Å; G128-G165 PolarHBondContact O-N 3.04Å; G128-G165 VanDerWaalsContact O-N 3.17Å; L163-G165 PolarHBondContact O-N 3.08Å; G165-M167 PolarHBondContact O-N 3.04Å; G165-I168 PolarHBondContact O-N 3.31Å; G165-I168 VanDerWaalsContact O-N 3.1Å; G165-L169 WeakPolarHBondContact O-CG 3.44Å; G165-L169 PolarHBondContact O-N 3.33Å |
| 166 | T | 71.6 | Confident | 84.6 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -32.4 | 169.3 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | N164 K170 | N164-T166 PolarHBondContact O-N 3.35Å; N164-T166 WeakPolarHBondContact OD1-CB 3.44Å; N164-T166 PolarHBondContact OD1-N 3.04Å; N164-T166 PolarHBondContact OD1-OG1 2.86Å; T166-K170 WeakPolarHBondContact O-CB 3.41Å; T166-K170 PolarHBondContact O-N 3.44Å |
| 167 | M | 71 | Confident | 84.4 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 51% | 0.507 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.1 | -39.4 | 174 | -62.7 | -82.3 | 74.6 | 0 | 0 | 111.9 | N164 G165 K170 R171 | N164-M167 PolarHBondContact O-N 3.38Å; G165-M167 PolarHBondContact O-N 3.04Å; M167-K170 HydrophobicContact CE-CD 4.24Å; M167-R171 VanDerWaalsContact O-CB 3.25Å; M167-R171 WeakPolarHBondContact O-CB 3.09Å; M167-R171 PolarHBondContact O-N 3.13Å |
| 168 | I | 73.1 | Confident | 84.2 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -45.8 | -179.3 | -61.2 | 171.8 | 0 | 0 | 0 | 111 | V130 L163 G165 R171 T172 | V130-I168 HydrophobicContact CB-CD1 4.11Å; V130-I168 HydrophobicContact CG1-CD1 4.42Å; V130-I168 HydrophobicContact CG2-CD1 3.94Å; L163-I168 HydrophobicContact CB-CD1 4.03Å; L163-I168 HydrophobicContact CD1-CD1 4.1Å; G165-I168 PolarHBondContact O-N 3.31Å; G165-I168 VanDerWaalsContact O-N 3.1Å; I168-R171 PolarHBondContact O-N 3.2Å; I168-T172 PolarHBondContact O-N 3.36Å; I168-T172 PolarHBondContact O-OG1 3.36Å |
| 169 | L | 74.6 | Confident | 83.8 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 37% | 0.372 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 176.2 | -66.3 | 175.5 | 0 | 0 | 0 | 111.8 | F108 L110 G165 R171 T172 E173 | F108-L169 HydrophobicContact CZ-CD2 4.5Å; L110-L169 HydrophobicContact CD2-CD1 4.23Å; L110-L169 HydrophobicContact CD2-CD2 4.44Å; G165-L169 WeakPolarHBondContact O-CG 3.44Å; G165-L169 PolarHBondContact O-N 3.33Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.44Å; L169-T172 PolarHBondContact O-N 3Å; L169-T172 PolarHBondContact O-OG1 3.25Å; L169-T172 VanDerWaalsContact O-OG1 3.04Å; L169-E173 PolarHBondContact O-N 3.43Å; L169-E173 VanDerWaalsContact O-N 3.08Å |
| 170 | K | 79.4 | Confident | 83.7 | Confident | 119 Ų | 119 | 63.2 Ų | 63.2 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -34.9 | 177.1 | -172.5 | 173.1 | -176.9 | 177.1 | 0 | 112.2 | T166 M167 L174 | T166-K170 WeakPolarHBondContact O-CB 3.41Å; T166-K170 PolarHBondContact O-N 3.44Å; M167-K170 HydrophobicContact CE-CD 4.24Å; K170-L174 HydrophobicContact CG-CD1 4.2Å; K170-L174 WeakPolarHBondContact O-CB 3.16Å; K170-L174 VanDerWaalsContact O-CG 3.23Å; K170-L174 WeakPolarHBondContact O-CG 3.46Å; K170-L174 PolarHBondContact O-N 2.87Å |
| 171 | R | 77.8 | Confident | 83.7 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -52.9 | 172.2 | 171.4 | 179.9 | -173.9 | -156.5 | -7.8 | 111.4 | C103 M167 I168 L169 E173 L174 E175 | C103-R171 PolarHBondContact SG-NH2 2.9Å; M167-R171 VanDerWaalsContact O-CB 3.25Å; M167-R171 WeakPolarHBondContact O-CB 3.09Å; M167-R171 PolarHBondContact O-N 3.13Å; I168-R171 PolarHBondContact O-N 3.2Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.44Å; R171-E173 VanDerWaalsContact C-N 3.25Å; R171-E173 PolarHBondContact O-N 3.06Å; R171-L174 CarbonylContact O-C 3.6Å; R171-L174 PolarHBondContact O-N 3.4Å; R171-E175 HydrophobicContact CG-CG 4.17Å; R171-E175 IonicContact CZ-OE1 2.72Å; R171-E175 IonicContact NE-OE1 2.66Å; R171-E175 PolarHBondContact NE-OE1 3.36Å; R171-E175 IonicContact NE-OE2 2.8Å; R171-E175 IonicContact NH2-OE1 3.69Å; R171-E175 PolarHBondContact NH2-OE1 3.03Å; R171-E175 WeakPolarHBondContact O-CG 3.43Å; R171-E175 PolarHBondContact O-N 3.28Å |
| 172 | T | 78.1 | Confident | 83.6 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | -176.2 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | I168 L169 A176 | I168-T172 PolarHBondContact O-N 3.36Å; I168-T172 PolarHBondContact O-OG1 3.36Å; L169-T172 PolarHBondContact O-N 3Å; L169-T172 PolarHBondContact O-OG1 3.25Å; L169-T172 VanDerWaalsContact O-OG1 3.04Å; T172-A176 WeakPolarHBondContact O-CB 3.31Å; T172-A176 PolarHBondContact O-N 3.43Å |
| 173 | E | 84.4 | Confident | 83.7 | Confident | 101 Ų | 101 | 77.4 Ų | 77.4 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 169.4 | -168.7 | -162.2 | 171.4 | 0 | 0 | 112.5 | L169 R171 A176 K177 | L169-E173 PolarHBondContact O-N 3.43Å; L169-E173 VanDerWaalsContact O-N 3.08Å; R171-E173 VanDerWaalsContact C-N 3.25Å; R171-E173 PolarHBondContact O-N 3.06Å; E173-A176 PolarHBondContact O-N 2.71Å; E173-K177 WeakPolarHBondContact O-CG 3.47Å; E173-K177 PolarHBondContact O-N 3.01Å; E173-K177 VanDerWaalsContact OE1-CE 3.25Å; E173-K177 WeakPolarHBondContact OE1-CE 3.44Å; E173-K177 IonicContact OE1-NZ 3.6Å; E173-K177 PolarHBondContact OE1-NZ 3.44Å |
| 174 | L | 85.9 | Confident | 84.1 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68 | -38 | 179.2 | -73.1 | 171.1 | 0 | 0 | 0 | 112.6 | K170 R171 K177 L178 | K170-L174 HydrophobicContact CG-CD1 4.2Å; K170-L174 WeakPolarHBondContact O-CB 3.16Å; K170-L174 VanDerWaalsContact O-CG 3.23Å; K170-L174 WeakPolarHBondContact O-CG 3.46Å; K170-L174 PolarHBondContact O-N 2.87Å; R171-L174 CarbonylContact O-C 3.6Å; R171-L174 PolarHBondContact O-N 3.4Å; L174-K177 PolarHBondContact O-N 2.81Å; L174-L178 VanDerWaalsContact O-CB 3.31Å; L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 PolarHBondContact O-N 3Å |
| 175 | E | 84.3 | Confident | 84.8 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 174.5 | -74.3 | 176.3 | 162.7 | 0 | 0 | 111.2 | R171 L178 Q179 | R171-E175 HydrophobicContact CG-CG 4.17Å; R171-E175 IonicContact CZ-OE1 2.72Å; R171-E175 IonicContact NE-OE1 2.66Å; R171-E175 PolarHBondContact NE-OE1 3.36Å; R171-E175 IonicContact NE-OE2 2.8Å; R171-E175 IonicContact NH2-OE1 3.69Å; R171-E175 PolarHBondContact NH2-OE1 3.03Å; R171-E175 WeakPolarHBondContact O-CG 3.43Å; R171-E175 PolarHBondContact O-N 3.28Å; E175-L178 PolarHBondContact O-N 3.13Å; E175-Q179 WeakPolarHBondContact O-CG 3.46Å; E175-Q179 PolarHBondContact O-N 2.72Å |
| 176 | A | 85.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | T172 E173 L178 Q179 V180 | T172-A176 WeakPolarHBondContact O-CB 3.31Å; T172-A176 PolarHBondContact O-N 3.43Å; E173-A176 PolarHBondContact O-N 2.71Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 2.78Å; A176-Q179 PolarHBondContact O-N 3.49Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 3.32Å |
| 177 | K | 91 | Very high | 87.1 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 46% | 0.457 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 174.8 | -71.9 | 173.5 | -174.4 | 171.6 | 0 | 112.4 | E173 L174 V180 L181 | E173-K177 WeakPolarHBondContact O-CG 3.47Å; E173-K177 PolarHBondContact O-N 3.01Å; E173-K177 VanDerWaalsContact OE1-CE 3.25Å; E173-K177 WeakPolarHBondContact OE1-CE 3.44Å; E173-K177 IonicContact OE1-NZ 3.6Å; E173-K177 PolarHBondContact OE1-NZ 3.44Å; L174-K177 PolarHBondContact O-N 2.81Å; K177-V180 PolarHBondContact O-N 2.99Å; K177-L181 WeakPolarHBondContact O-CG 3.35Å; K177-L181 PolarHBondContact O-N 2.96Å |
| 178 | L | 92.1 | Very high | 88.3 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 176.7 | 176.8 | 147.3 | 0 | 0 | 0 | 111.9 | L174 E175 A176 L181 K182 | L174-L178 VanDerWaalsContact O-CB 3.31Å; L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 PolarHBondContact O-N 3Å; E175-L178 PolarHBondContact O-N 3.13Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 2.78Å; L178-L181 PolarHBondContact O-N 3.36Å; L178-K182 HydrophobicContact CD2-CD 3.83Å; L178-K182 HydrophobicContact CD2-CG 4.47Å; L178-K182 WeakPolarHBondContact O-CG 3.38Å; L178-K182 PolarHBondContact O-N 2.93Å |
| 179 | Q | 89.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 92.2 Ų | 92.2 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.2 | -64.9 | -65.9 | 3.9 | 0 | 0 | 111.9 | N101 E175 A176 L181 K182 Q183 | N101-Q179 PolarHBondContact ND2-NE2 2.97Å; E175-Q179 WeakPolarHBondContact O-CG 3.46Å; E175-Q179 PolarHBondContact O-N 2.72Å; A176-Q179 PolarHBondContact O-N 3.49Å; Q179-L181 PolarHBondContact O-N 3.49Å; Q179-K182 PolarHBondContact O-N 2.87Å; Q179-Q183 PolarHBondContact O-N 3.37Å |
| 180 | V | 94.8 | Very high | 90.4 | Very high | 85 Ų | 85 | 93.6 Ų | 93.6 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | A176 K177 K182 Q183 T184 | A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 3.32Å; K177-V180 PolarHBondContact O-N 2.99Å; V180-K182 PolarHBondContact O-N 3.19Å; V180-Q183 PolarHBondContact O-N 3.44Å; V180-T184 PolarHBondContact O-N 3.27Å; V180-T184 PolarHBondContact O-OG1 3.13Å |
| 181 | L | 96.4 | Very high | 91.2 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 63% | 0.628 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 177.2 | -74.6 | 169.2 | 0 | 0 | 0 | 112.6 | K177 L178 Q179 Q183 T184 L185 | K177-L181 WeakPolarHBondContact O-CG 3.35Å; K177-L181 PolarHBondContact O-N 2.96Å; L178-L181 PolarHBondContact O-N 3.36Å; Q179-L181 PolarHBondContact O-N 3.49Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.88Å; L181-T184 PolarHBondContact O-N 3.47Å; L181-L185 WeakPolarHBondContact O-CB 3.49Å; L181-L185 PolarHBondContact O-N 3.43Å |
| 182 | K | 91.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 35% | 0.352 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 173.6 | -76.1 | 178.3 | 164.5 | -170.7 | 0 | 111.9 | L178 Q179 V180 L185 K186 F224 | L178-K182 HydrophobicContact CD2-CD 3.83Å; L178-K182 HydrophobicContact CD2-CG 4.47Å; L178-K182 WeakPolarHBondContact O-CG 3.38Å; L178-K182 PolarHBondContact O-N 2.93Å; Q179-K182 PolarHBondContact O-N 2.87Å; V180-K182 PolarHBondContact O-N 3.19Å; K182-L185 PolarHBondContact O-N 2.92Å; K182-K186 PolarHBondContact O-N 3.22Å; K182-K186 VanDerWaalsContact O-N 3.11Å; K182-F224 HydrophobicContact CB-CD1 4.46Å; K182-F224 HydrophobicContact CB-CE1 4.02Å; K182-F224 HydrophobicContact CD-CD1 4.05Å; K182-F224 HydrophobicContact CD-CE1 3.69Å; K182-F224 HydrophobicContact CG-CD1 4.49Å; K182-F224 HydrophobicContact CG-CE1 3.8Å |
| 183 | Q | 95 | Very high | 92.8 | Very high | 137 Ų | 137 | 95.5 Ų | 95.5 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 176.4 | -172.9 | 178.1 | 10.2 | 0 | 0 | 111.9 | Q179 V180 L181 L185 K186 Q187 | Q179-Q183 PolarHBondContact O-N 3.37Å; V180-Q183 PolarHBondContact O-N 3.44Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.88Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.12Å; Q183-K186 PolarHBondContact O-N 3.39Å; Q183-Q187 PolarHBondContact O-N 3.07Å |
| 184 | T | 97.5 | Very high | 93.3 | Very high | 63 Ų | 63 | 93.9 Ų | 93.9 | 39% | 0.387 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | V180 L181 Q187 K188 | V180-T184 PolarHBondContact O-N 3.27Å; V180-T184 PolarHBondContact O-OG1 3.13Å; L181-T184 PolarHBondContact O-N 3.47Å; T184-Q187 PolarHBondContact O-N 3.23Å; T184-K188 PolarHBondContact O-N 2.97Å |
| 185 | L | 96.6 | Very high | 93.7 | Very high | 112 Ų | 112 | 93.7 Ų | 93.7 | 59% | 0.586 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.3 | -49.8 | 176.7 | -177.1 | 65.6 | 0 | 0 | 0 | 111.2 | L181 K182 Q183 Q187 K188 W189 | L181-L185 WeakPolarHBondContact O-CB 3.49Å; L181-L185 PolarHBondContact O-N 3.43Å; K182-L185 PolarHBondContact O-N 2.92Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.12Å; L185-Q187 VanDerWaalsContact C-N 3.33Å; L185-Q187 PolarHBondContact O-N 3.28Å; L185-K188 PolarHBondContact O-N 2.94Å; L185-W189 PolarHBondContact O-N 3.14Å |
| 186 | K | 93.2 | Very high | 94.1 | Very high | 74 Ų | 74 | 93.3 Ų | 93.3 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -54.9 | -47.1 | 174.7 | -75.9 | -176.5 | 167.4 | -160 | 0 | 112.2 | K182 Q183 K188 W189 V190 F224 | K182-K186 PolarHBondContact O-N 3.22Å; K182-K186 VanDerWaalsContact O-N 3.11Å; Q183-K186 PolarHBondContact O-N 3.39Å; K186-K188 PolarHBondContact O-N 3.45Å; K186-W189 WeakPolarHBondContact O-CB 3.37Å; K186-W189 PolarHBondContact O-N 3.31Å; K186-V190 PolarHBondContact O-N 3.25Å; K186-V190 VanDerWaalsContact O-N 3.15Å; K186-F224 VanDerWaalsContact CE-CB 3.44Å |
| 187 | Q | 95.8 | Very high | 94.5 | Very high | 132 Ų | 132 | 95 Ų | 95 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 179.4 | -174.1 | 178 | 6.6 | 0 | 0 | 111.7 | Q183 T184 L185 W189 V190 E191 | Q183-Q187 PolarHBondContact O-N 3.07Å; T184-Q187 PolarHBondContact O-N 3.23Å; L185-Q187 VanDerWaalsContact C-N 3.33Å; L185-Q187 PolarHBondContact O-N 3.28Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-W189 PolarHBondContact O-N 3.44Å; Q187-V190 PolarHBondContact O-N 3.04Å; Q187-E191 PolarHBondContact O-N 3.24Å |
| 188 | K | 97.2 | Very high | 94.6 | Very high | 110 Ų | 110 | 94.3 Ų | 94.3 | 48% | 0.478 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.7 | -29.8 | 176.7 | -74.1 | -53 | -168.6 | -175.3 | 0 | 113.5 | T184 L185 K186 E191 Y192 | T184-K188 PolarHBondContact O-N 2.97Å; L185-K188 PolarHBondContact O-N 2.94Å; K186-K188 PolarHBondContact O-N 3.45Å; K188-E191 VanDerWaalsContact CD-OE2 3.27Å; K188-E191 WeakPolarHBondContact CD-OE2 3.32Å; K188-E191 WeakPolarHBondContact CE-OE2 3.38Å; K188-E191 IonicContact NZ-OE1 2.59Å; K188-E191 PolarHBondContact NZ-OE1 3.19Å; K188-E191 IonicContact NZ-OE2 3.68Å; K188-E191 PolarHBondContact NZ-OE2 3.08Å; K188-E191 PolarHBondContact O-N 3.06Å; K188-Y192 VanDerWaalsContact O-CB 3.29Å; K188-Y192 WeakPolarHBondContact O-CB 3.32Å; K188-Y192 PolarHBondContact O-N 3.11Å |
| 189 | W | 95.4 | Very high | 94.6 | Very high | 131 Ų | 131 | 95.8 Ų | 95.8 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 174 | -146.4 | 106.9 | 0 | 0 | 0 | 111.7 | L185 K186 Q187 Y192 R193 | L185-W189 PolarHBondContact O-N 3.14Å; K186-W189 WeakPolarHBondContact O-CB 3.37Å; K186-W189 PolarHBondContact O-N 3.31Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-W189 PolarHBondContact O-N 3.44Å; W189-Y192 PolarHBondContact O-N 2.91Å; W189-R193 HydrophobicContact CE3-CB 4.3Å; W189-R193 HydrophobicContact CZ3-CB 4.27Å; W189-R193 HydrophobicContact CZ3-CG 4.37Å; W189-R193 WeakPolarHBondContact O-CB 3.44Å; W189-R193 PolarHBondContact O-N 3.42Å |
| 190 | V | 96.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 96.7 Ų | 96.7 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | K186 Q187 R193 S194 | K186-V190 PolarHBondContact O-N 3.25Å; K186-V190 VanDerWaalsContact O-N 3.15Å; Q187-V190 PolarHBondContact O-N 3.04Å; V190-R193 PolarHBondContact O-N 3.46Å; V190-S194 PolarHBondContact O-N 3.47Å |
| 191 | E | 96.8 | Very high | 94.3 | Very high | 87 Ų | 87 | 99.1 Ų | 99.1 | 41% | 0.407 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 175.4 | -173.5 | -179 | 142.3 | 0 | 0 | 111.5 | Q187 K188 R193 S194 L195 | Q187-E191 PolarHBondContact O-N 3.24Å; K188-E191 VanDerWaalsContact CD-OE2 3.27Å; K188-E191 WeakPolarHBondContact CD-OE2 3.32Å; K188-E191 WeakPolarHBondContact CE-OE2 3.38Å; K188-E191 IonicContact NZ-OE1 2.59Å; K188-E191 PolarHBondContact NZ-OE1 3.19Å; K188-E191 IonicContact NZ-OE2 3.68Å; K188-E191 PolarHBondContact NZ-OE2 3.08Å; K188-E191 PolarHBondContact O-N 3.06Å; E191-R193 PolarHBondContact O-N 2.66Å; E191-S194 WeakPolarHBondContact O-CB 3.48Å; E191-S194 PolarHBondContact O-N 2.8Å; E191-L195 HydrophobicContact CG-CD1 4.5Å; E191-L195 WeakPolarHBondContact O-CG 3.42Å; E191-L195 PolarHBondContact O-N 3.35Å |
| 192 | Y | 94.9 | Very high | 93.9 | Very high | 133 Ų | 133 | 99.8 Ų | 99.8 | 52% | 0.522 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 175.1 | 172.5 | -109.3 | 0 | 0 | 0 | 112.2 | K188 W189 S194 L195 Q196 | K188-Y192 VanDerWaalsContact O-CB 3.29Å; K188-Y192 WeakPolarHBondContact O-CB 3.32Å; K188-Y192 PolarHBondContact O-N 3.11Å; W189-Y192 PolarHBondContact O-N 2.91Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 3.23Å; Y192-L195 PolarHBondContact O-N 3.32Å; Y192-L195 VanDerWaalsContact O-N 3.13Å; Y192-Q196 HydrophobicContact CD1-CG 4.39Å; Y192-Q196 HydrophobicContact CD2-CG 4.34Å; Y192-Q196 HydrophobicContact CE1-CG 4Å; Y192-Q196 VanDerWaalsContact CE1-OE1 3.26Å; Y192-Q196 HydrophobicContact CE2-CG 3.94Å; Y192-Q196 WeakPolarHBondContact O-CG 3.49Å; Y192-Q196 PolarHBondContact O-N 3Å; Y192-Q196 PolarHBondContact OH-NE2 3.39Å; Y192-Q196 VanDerWaalsContact OH-NE2 3.08Å |
| 193 | R | 94.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 101.7 Ų | 101.7 | 28% | 0.275 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 179.8 | -170.5 | 67.2 | -141.8 | 152.3 | 4.4 | 112.4 | W189 V190 E191 L197 L213 | W189-R193 HydrophobicContact CE3-CB 4.3Å; W189-R193 HydrophobicContact CZ3-CB 4.27Å; W189-R193 HydrophobicContact CZ3-CG 4.37Å; W189-R193 WeakPolarHBondContact O-CB 3.44Å; W189-R193 PolarHBondContact O-N 3.42Å; V190-R193 PolarHBondContact O-N 3.46Å; E191-R193 PolarHBondContact O-N 2.66Å; R193-L197 WeakPolarHBondContact O-CG 3.27Å; R193-L197 PolarHBondContact O-N 3.49Å; R193-L213 VanDerWaalsContact CZ-CD2 3.47Å |
| 194 | S | 93.7 | Very high | 92.9 | Very high | 68 Ų | 68 | 101 Ų | 101 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 172.7 | -171.5 | 0 | 0 | 0 | 0 | 112 | V190 E191 Y192 L197 Q198 | V190-S194 PolarHBondContact O-N 3.47Å; E191-S194 WeakPolarHBondContact O-CB 3.48Å; E191-S194 PolarHBondContact O-N 2.8Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 3.23Å; S194-L197 PolarHBondContact O-N 3.46Å; S194-Q198 PolarHBondContact O-N 2.93Å |
| 195 | L | 95.9 | Very high | 91.4 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.8 | -70.6 | 171.2 | 0 | 0 | 0 | 112.5 | E191 Y192 L197 Q198 E199 | E191-L195 HydrophobicContact CG-CD1 4.5Å; E191-L195 WeakPolarHBondContact O-CG 3.42Å; E191-L195 PolarHBondContact O-N 3.35Å; Y192-L195 PolarHBondContact O-N 3.32Å; Y192-L195 VanDerWaalsContact O-N 3.13Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.13Å; L195-Q198 WeakPolarHBondContact O-CB 3.47Å; L195-Q198 PolarHBondContact O-N 3.01Å; L195-Q198 VanDerWaalsContact O-N 3.11Å; L195-E199 WeakPolarHBondContact O-CB 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å |
| 196 | Q | 92.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 102.5 Ų | 102.5 | 26% | 0.262 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 173.8 | -70.8 | -170.1 | -64 | 0 | 0 | 112.1 | Y192 Q198 E199 H200 | Y192-Q196 HydrophobicContact CD1-CG 4.39Å; Y192-Q196 HydrophobicContact CD2-CG 4.34Å; Y192-Q196 HydrophobicContact CE1-CG 4Å; Y192-Q196 VanDerWaalsContact CE1-OE1 3.26Å; Y192-Q196 HydrophobicContact CE2-CG 3.94Å; Y192-Q196 WeakPolarHBondContact O-CG 3.49Å; Y192-Q196 PolarHBondContact O-N 3Å; Y192-Q196 PolarHBondContact OH-NE2 3.39Å; Y192-Q196 VanDerWaalsContact OH-NE2 3.08Å; Q196-Q198 VanDerWaalsContact C-N 3.33Å; Q196-E199 PolarHBondContact O-N 2.91Å; Q196-H200 PolarHBondContact O-N 3.31Å |
| 197 | L | 92.7 | Very high | 88 | Confident | 79 Ų | 79 | 102 Ų | 102 | 41% | 0.414 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -33.6 | 175.8 | -70.1 | 170.7 | 0 | 0 | 0 | 112 | R193 S194 L195 R201 | R193-L197 WeakPolarHBondContact O-CG 3.27Å; R193-L197 PolarHBondContact O-N 3.49Å; S194-L197 PolarHBondContact O-N 3.46Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.13Å; L197-R201 WeakPolarHBondContact O-CG 3.29Å; L197-R201 PolarHBondContact O-N 3.5Å; L197-R201 PolarHBondContact O-NH1 3.26Å |
| 198 | Q | 94 | Very high | 86.3 | Confident | 91 Ų | 91 | 100.4 Ų | 100.4 | 43% | 0.425 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -43.7 | 174.4 | -178.3 | 175.3 | -12.6 | 0 | 0 | 112.2 | S194 L195 Q196 R201 L202 | S194-Q198 PolarHBondContact O-N 2.93Å; L195-Q198 WeakPolarHBondContact O-CB 3.47Å; L195-Q198 PolarHBondContact O-N 3.01Å; L195-Q198 VanDerWaalsContact O-N 3.11Å; Q196-Q198 VanDerWaalsContact C-N 3.33Å; Q198-R201 PolarHBondContact O-N 3.03Å; Q198-L202 HydrophobicContact CG-CD1 4.08Å; Q198-L202 WeakPolarHBondContact O-CG 3.45Å; Q198-L202 PolarHBondContact O-N 2.94Å |
| 199 | E | 91.2 | Very high | 84.4 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.8 | -48 | 174.5 | 178.5 | 174.5 | -145.3 | 0 | 0 | 110.9 | L195 Q196 R201 L202 L203 | L195-E199 WeakPolarHBondContact O-CB 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å; Q196-E199 PolarHBondContact O-N 2.91Å; E199-R201 PolarHBondContact O-N 3.5Å; E199-L202 PolarHBondContact O-N 3.37Å; E199-L202 VanDerWaalsContact O-N 3.09Å; E199-L203 HydrophobicContact CG-CD1 3.7Å; E199-L203 HydrophobicContact CG-CG 4.28Å; E199-L203 WeakPolarHBondContact O-CG 3.46Å; E199-L203 PolarHBondContact O-N 3.47Å |
| 200 | H | 88.6 | Confident | 82.2 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 40% | 0.403 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 177.4 | -167.7 | -89.4 | 0 | 0 | 0 | 112.6 | Q196 L202 L203 H204 C210 | Q196-H200 PolarHBondContact O-N 3.31Å; H200-L202 VanDerWaalsContact C-N 3.31Å; H200-L202 PolarHBondContact O-N 3.15Å; H200-L203 PolarHBondContact O-N 3.24Å; H200-H204 AromaticContact CD2-CD2 3.59Å; H200-H204 AromaticContact NE2-CD2 3.58Å; H200-H204 PolarHBondContact O-N 3.48Å; H200-C210 PolarHBondContact CE1-SG 3.47Å |
| 201 | R | 90.1 | Very high | 80 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 175.6 | -73.4 | -173.3 | -59 | -92.8 | 3.3 | 113 | L197 Q198 E199 G205 | L197-R201 WeakPolarHBondContact O-CG 3.29Å; L197-R201 PolarHBondContact O-N 3.5Å; L197-R201 PolarHBondContact O-NH1 3.26Å; Q198-R201 PolarHBondContact O-N 3.03Å; E199-R201 PolarHBondContact O-N 3.5Å; R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 3.04Å |
| 202 | L | 89 | Confident | 77.8 | Confident | 134 Ų | 134 | 101 Ų | 101 | 70% | 0.702 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.3 | -34.6 | 179.8 | -71 | 171.5 | 0 | 0 | 0 | 112.9 | Q198 E199 H200 | Q198-L202 HydrophobicContact CG-CD1 4.08Å; Q198-L202 WeakPolarHBondContact O-CG 3.45Å; Q198-L202 PolarHBondContact O-N 2.94Å; E199-L202 PolarHBondContact O-N 3.37Å; E199-L202 VanDerWaalsContact O-N 3.09Å; H200-L202 VanDerWaalsContact C-N 3.31Å; H200-L202 PolarHBondContact O-N 3.15Å |
| 203 | L | 85.6 | Confident | 75.6 | Confident | 122 Ų | 122 | 100.5 Ų | 100.5 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -82.2 | -37.1 | -178.2 | -68.9 | 177 | 0 | 0 | 0 | 113.5 | E199 H200 | E199-L203 HydrophobicContact CG-CD1 3.7Å; E199-L203 HydrophobicContact CG-CG 4.28Å; E199-L203 WeakPolarHBondContact O-CG 3.46Å; E199-L203 PolarHBondContact O-N 3.47Å; H200-L203 PolarHBondContact O-N 3.24Å |
| 204 | H | 79.4 | Confident | 73.4 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -107.6 | -8 | -174 | -62.4 | -73.1 | 0 | 0 | 0 | 114.1 | H200 | H200-H204 AromaticContact CD2-CD2 3.59Å; H200-H204 AromaticContact NE2-CD2 3.58Å; H200-H204 PolarHBondContact O-N 3.48Å |
| 205 | G | 66.5 | Low | 71.4 | Confident | 40 Ų | 40 | 107.7 Ų | 107.7 | 41% | 0.412 | 59% | 0.592 | S | S | . | * | trans | 69.3 | -173.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R201 A207 | R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 3.04Å; G205-A207 PolarHBondContact O-N 3.08Å | ||
| 206 | D | 63.1 | Low | 69.3 | Low | 167 Ų | 167 | 110.8 Ų | 110.8 | 89% | 0.893 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -80.3 | 43.6 | 177.6 | -155.3 | 30.9 | 0 | 0 | 0 | 111.7 | A208 | D206-A208 PolarHBondContact O-N 3.17Š|
| 207 | A | 56.2 | Low | 67.3 | Low | 63 Ų | 63 | 112.7 Ų | 112.7 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | trans | -75.9 | 108 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109 | G205 D209 | G205-A207 PolarHBondContact O-N 3.08Å; A207-D209 PolarHBondContact O-N 3.18Å | ||
| 208 | A | 58.5 | Low | 65.1 | Low | 100 Ų | 100 | 116 Ų | 116 | 83% | 0.826 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -73.3 | 38.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D206 | D206-A208 PolarHBondContact O-N 3.17Š|
| 209 | D | 57 | Low | 62.9 | Low | 158 Ų | 158 | 117.2 Ų | 117.2 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | trans | -130.1 | 64.9 | 173.9 | -83 | -50.2 | 0 | 0 | 0 | 110.4 | A207 | A207-D209 PolarHBondContact O-N 3.18Š| ||
| 210 | C | 50.7 | Low | 60.9 | Low | 82 Ų | 82 | 116.1 Ų | 116.1 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | trans | -92 | 115.2 | 163.8 | -66.1 | 0 | 0 | 0 | 0 | 108.5 | H200 S212 | H200-C210 PolarHBondContact CE1-SG 3.47Å; C210-S212 PolarHBondContact O-N 3.42Å | ||
| 211 | P | 49.6 | Very low | 59.1 | Low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | trans | -59.8 | 131.5 | 167.6 | 26.2 | -32.6 | 0 | 0 | 0 | 108.5 | L213 | P211-L213 PolarHBondContact O-N 3.02Š| ||
| 212 | S | 51.4 | Low | 57.3 | Low | 78 Ų | 78 | 114.7 Ų | 114.7 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -61.1 | 112.8 | -167.4 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | C210 E214 | C210-S212 PolarHBondContact O-N 3.42Å; S212-E214 WeakPolarHBondContact CB-OE2 3.39Å; S212-E214 PolarHBondContact O-N 3.49Å | ||
| 213 | L | 48.1 | Very low | 55.3 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 64% | 0.644 | 66% | 0.655 | S | S | * | * | trans | -77.6 | 51.8 | 165.5 | -162.4 | 81 | 0 | 0 | 0 | 110.3 | R193 P211 | R193-L213 VanDerWaalsContact CZ-CD2 3.47Å; P211-L213 PolarHBondContact O-N 3.02Å | ||
| 214 | E | 48.1 | Very low | 53.3 | Low | 159 Ų | 159 | 112.9 Ų | 112.9 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | trans | -92.5 | -3.4 | 174.6 | -74.5 | -179.2 | 131.4 | 0 | 0 | 112.2 | S212 | S212-E214 WeakPolarHBondContact CB-OE2 3.39Å; S212-E214 PolarHBondContact O-N 3.49Å | ||
| 215 | N | 52.5 | Low | 51.4 | Low | 132 Ų | 132 | 110 Ų | 110 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | trans | -128.3 | 65.7 | -172.8 | -66.9 | -70.7 | 0 | 0 | 0 | 113.1 | ||||
| 216 | M | 51.2 | Low | 50.3 | Low | 158 Ų | 158 | 114.4 Ų | 114.4 | 78% | 0.778 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -154.7 | 113.2 | 148.1 | -93.7 | -61.5 | 101.3 | 0 | 0 | 108.7 | ||
| 217 | D | 50.2 | Low | 49.2 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 51% | 0.508 | 66% | 0.663 | S | S | . | * | trans | 53.8 | 80.6 | 166.2 | -69.3 | 2.8 | 0 | 0 | 0 | 120 | E220 | D217-E220 HydrophobicContact CB-CB 3.9Š| ||
| 218 | L | 47 | Very low | 48.5 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -67.6 | -18.8 | 139.7 | -171 | 60.7 | 0 | 0 | 0 | 111.7 | ||
| 219 | D | 48.2 | Very low | 47.4 | Very low | 117 Ų | 117 | 115 Ų | 115 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -78.6 | -24.3 | -176.1 | -78.9 | -31.8 | 0 | 0 | 0 | 115 | L221 S222 | D219-L221 PolarHBondContact O-N 3.4Å; D219-S222 WeakPolarHBondContact O-CB 3.46Å; D219-S222 PolarHBondContact O-N 2.82Å |
| 220 | E | 48.5 | Very low | 46.5 | Very low | 95 Ų | 95 | 114 Ų | 114 | 44% | 0.444 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | -21.9 | -179.5 | -164.5 | 177.3 | -167.7 | 0 | 0 | 112.4 | D217 | D217-E220 HydrophobicContact CB-CB 3.9Š|
| 221 | L | 50.3 | Low | 45.6 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 55% | 0.55 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | -24.4 | 173.3 | -70.8 | 173.5 | 0 | 0 | 0 | 113.3 | D219 L223 | D219-L221 PolarHBondContact O-N 3.4Å; L221-L223 VanDerWaalsContact C-N 3.3Å; L221-L223 PolarHBondContact O-N 3.3Å |
| 222 | S | 51.9 | Low | 45.7 | Very low | 87 Ų | 87 | 113.7 Ų | 113.7 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -17.5 | -176.6 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | D219 F224 | D219-S222 WeakPolarHBondContact O-CB 3.46Å; D219-S222 PolarHBondContact O-N 2.82Å; S222-F224 PolarHBondContact O-N 3.18Å; S222-F224 VanDerWaalsContact O-N 3.17Å |
| 223 | L | 46.6 | Very low | 44.6 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -3.2 | 176.3 | -78.4 | 166.2 | 0 | 0 | 0 | 114.7 | L221 | L221-L223 VanDerWaalsContact C-N 3.3Å; L221-L223 PolarHBondContact O-N 3.3Å |
| 224 | F | 45.3 | Very low | 44.2 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 31% | 0.311 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -127 | 94 | 179.1 | -61.4 | -90.7 | 0 | 0 | 0 | 108.5 | K182 K186 S222 | K182-F224 HydrophobicContact CB-CD1 4.46Å; K182-F224 HydrophobicContact CB-CE1 4.02Å; K182-F224 HydrophobicContact CD-CD1 4.05Å; K182-F224 HydrophobicContact CD-CE1 3.69Å; K182-F224 HydrophobicContact CG-CD1 4.49Å; K182-F224 HydrophobicContact CG-CE1 3.8Å; K186-F224 VanDerWaalsContact CE-CB 3.44Å; S222-F224 PolarHBondContact O-N 3.18Å; S222-F224 VanDerWaalsContact O-N 3.17Å |
| 225 | G | 38 | Very low | 43.7 | Very low | 61 Ų | 61 | 115.8 Ų | 115.8 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 164.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 226 | P | 44 | Very low | 42.8 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 142.4 | -165.5 | 27.5 | -35.7 | 0 | 0 | 0 | 113.6 | ||
| 227 | L | 40 | Very low | 41.9 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 138 | 168.9 | -79.6 | 159.3 | 0 | 0 | 0 | 110.8 | G229 | L227-G229 PolarHBondContact O-N 2.89Š|
| 228 | P | 41.5 | Very low | 41.2 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | -81.3 | 109 | 167.7 | 31.2 | -30.6 | 0 | 0 | 0 | 110.5 | ||||
| 229 | G | 35.3 | Very low | 40.6 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | trans | -171.5 | 134.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L227 | L227-G229 PolarHBondContact O-N 2.89Š| ||
| 230 | P | 37.2 | Very low | 40.1 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 90% | 0.903 | 74% | 0.735 | S | S | * | * | trans | -80.4 | 138.5 | -163.1 | 31.2 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 231 | G | 32.7 | Very low | 39.2 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -115.6 | -171.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 232 | P | 50.8 | Low | 38.5 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | cis | -127.3 | 167 | -1.2 | 39.9 | -25.9 | 0 | 0 | 0 | 114 | ||||
| 233 | A | 28.3 | Very low | 37.6 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -145.4 | 107.4 | 156 | 0 | 0 | 0 | 0 | 0 | 109.9 | V235 | A233-V235 PolarHBondContact O-N 3.11Š| ||
| 234 | L | 40.9 | Very low | 37.1 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -67.2 | 117.8 | 166.9 | -86.8 | 160.1 | 0 | 0 | 0 | 109 | ||||
| 235 | V | 37.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -130.2 | 98.9 | 153.8 | -176.5 | 0 | 0 | 0 | 0 | 108 | A233 R237 | A233-V235 PolarHBondContact O-N 3.11Å; V235-R237 PolarHBondContact O-N 3.13Å | ||
| 236 | D | 33.5 | Very low | 36.5 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -56.8 | 119.9 | 162.9 | 169.5 | 23 | 0 | 0 | 0 | 109.9 | ||||
| 237 | R | 31.6 | Very low | 36.1 | Very low | 202 Ų | 202 | 140 Ų | 140 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -156.6 | 92.9 | 144.1 | -154.1 | 159.4 | 80.9 | 172.4 | 4.7 | 113.3 | V235 R239 | V235-R237 PolarHBondContact O-N 3.13Å; R237-R239 PolarHBondContact O-N 2.97Å | ||
| 238 | N | 35.3 | Very low | 35.8 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -61.3 | 106.1 | 157.8 | -76.6 | -17 | 0 | 0 | 0 | 110.3 | ||||
| 239 | R | 35.7 | Very low | 35.6 | Very low | 206 Ų | 206 | 143.2 Ų | 143.2 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -138.5 | 108.2 | 153.6 | -80 | -163.5 | 177.4 | -114.1 | -2.7 | 110.1 | R237 | R237-R239 PolarHBondContact O-N 2.97Š| ||
| 240 | L | 38 | Very low | 35.4 | Very low | 176 Ų | 176 | 148 Ų | 148 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -61.2 | 130.7 | 164 | -60.7 | 167.2 | 0 | 0 | 0 | 108.8 | ||||
| 241 | S | 28.1 | Very low | 35.1 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -142.2 | 111.7 | 160.8 | -74.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 242 | S | 36.4 | Very low | 34.9 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -72.8 | 127.3 | 175.9 | -51 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 243 | E | 32.3 | Very low | 34.3 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -131.3 | 97.3 | 157.8 | -97.1 | -176.8 | 147.1 | 0 | 0 | 110.5 | ||||
| 244 | S | 36.1 | Very low | 35.6 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -73.6 | 131.5 | 166.7 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 245 | S | 37 | Very low | 35.4 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -143.8 | 104.1 | 154.9 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 246 | C | 34 | Very low | 35.2 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 125.4 | 173.2 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | S248 | C246-S248 PolarHBondContact O-N 3.37Š| ||
| 247 | K | 35.5 | Very low | 35.6 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -74 | 90.9 | 170.1 | -71.1 | 179.8 | 177.3 | 176.4 | 0 | 110 | W249 | K247-W249 PolarHBondContact O-N 3.01Š| ||
| 248 | S | 34.9 | Very low | 36 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 118.3 | 163.9 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | C246 | C246-S248 PolarHBondContact O-N 3.37Š| ||
| 249 | W | 35.9 | Very low | 36.2 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -85.1 | 135 | 157 | -76.7 | 49.3 | 0 | 0 | 0 | 107.6 | K247 | K247-W249 PolarHBondContact O-N 3.01Š| ||
| 250 | L | 31.1 | Very low | 36.1 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | 178.7 | 139 | 138.8 | -97.6 | 157.4 | 0 | 0 | 0 | 112 | ||||
| 251 | S | 32 | Very low | 35.9 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | 59.7 | 95.8 | 151.2 | -54 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 252 | S | 28.5 | Very low | 36.1 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -77.7 | 123.9 | 148.2 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | M | 38.4 | Very low | 35.8 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | trans | -101.1 | 152.2 | 160.5 | -72.7 | 179.8 | 62.4 | 0 | 0 | 109.6 | ||||
| 254 | T | 55.2 | Low | 35.7 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -89 | -176.4 | 180 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 255 | M | 37.2 | Very low | 35.4 | Very low | 163 Ų | 163 | 143 Ų | 143 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | trans | 89.9 | 140.9 | -173.3 | -52.3 | -61.1 | 89.3 | 0 | 0 | 112.5 | ||||
| 256 | D | 32.1 | Very low | 35.1 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -167.5 | 161.8 | -14.2 | -176.3 | 18.7 | 0 | 0 | 0 | 107.5 | ||||
| 257 | S | 43 | Very low | 35 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 23.6 | 154.6 | 154.2 | -61.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 258 | E | 39.7 | Very low | 34.7 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -168 | 161.9 | -11 | 55.6 | -169.8 | 159.8 | 0 | 0 | 109 | ||||
| 259 | D | 38.1 | Very low | 34.6 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 42.4 | 139.5 | 157.3 | -68.2 | -4.7 | 0 | 0 | 0 | 125.3 | ||||
| 260 | G | 34.3 | Very low | 34.5 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 173.8 | 100.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 261 | Y | 33.4 | Very low | 34.7 | Very low | 207 Ų | 207 | 138 Ų | 138 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -90.5 | 134.3 | -178.9 | -73.4 | -100.7 | 0 | 0 | 0 | 114.1 | ||||
| 262 | Q | 32.8 | Very low | 34.8 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 174.6 | 125.3 | 141.8 | -100.5 | 162.3 | -18.9 | 0 | 0 | 108.1 | ||||
| 263 | T | 29.4 | Very low | 35.1 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | 75.3 | 99 | 39.6 | -50.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 264 | C | 31.8 | Very low | 34.7 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 140.4 | 138.4 | 153.7 | -79.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 265 | V | 29.5 | Very low | 33.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | 173.2 | 130.2 | -22.4 | 135.1 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 266 | S | 30.5 | Very low | 33.3 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 57.4 | 152.9 | 159.3 | -65 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 267 | E | 31.7 | Very low | 33.3 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | -159 | 176.2 | -3.5 | -130.3 | 129.1 | -109.8 | 0 | 0 | 106.6 | ||||
| 268 | D | 29.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -153.7 | 174.4 | 3.2 | -177.3 | 31.7 | 0 | 0 | 0 | 109.1 | ||||
| 269 | S | 31.8 | Very low | 32.6 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 53 | 129.2 | 149 | -85.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 270 | S | 34.2 | Very low | 33.3 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | -169.4 | 158.5 | 19.1 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 271 | R | 36.2 | Very low | 33.5 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | 53.5 | 124.2 | 151.9 | -74.7 | 177.3 | 158.6 | -157.6 | -5.7 | 120.4 | ||||
| 272 | G | 33.5 | Very low | 33.6 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | 141.6 | 68.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 273 | A | 34.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | -71.4 | 143.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 274 | F | 30.8 | Very low | 34.1 | Very low | 220 Ų | 220 | 137.9 Ų | 137.9 | 97% | 0.965 | 78% | 0.776 | S | S | * | * | -159.9 | 140.7 | 120.3 | -84.5 | -58.9 | 0 | 0 | 0 | 110 | |||||
| 275 | S | 29 | Very low | 34.1 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -141.5 | 139.7 | -174.7 | -172.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 276 | R | 32.8 | Very low | 34.4 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | 36 | 153 | 137.2 | -59.5 | 172.1 | -177.9 | -98.3 | 4.3 | 119.5 | ||||
| 277 | Q | 32.8 | Very low | 34.8 | Very low | 147 Ų | 147 | 145 Ų | 145 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | cis | -165.2 | 177.8 | -7.5 | -111.7 | 170.7 | -77.3 | 0 | 0 | 107.8 | ||||
| 278 | T | 34.2 | Very low | 35 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -37.9 | 150.3 | 169.2 | 52.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 279 | S | 33.8 | Very low | 35 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -152.4 | 164.4 | 144.8 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 280 | T | 53.3 | Low | 35 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -113.3 | 168.2 | 175.6 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 281 | D | 37 | Very low | 34.9 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | 168.9 | 169.4 | 125.5 | -78.3 | -6.5 | 0 | 0 | 0 | 112.4 | |||||
| 282 | D | 35.8 | Very low | 34.7 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -111.6 | -180 | -159.1 | -101.5 | -62.7 | 0 | 0 | 0 | 115.4 | ||||
| 283 | E | 36.9 | Very low | 34.6 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 109.8 | 156.5 | 158.7 | -58.2 | -147 | 141.9 | 0 | 0 | 120.4 | ||||
| 284 | C | 36.1 | Very low | 34.7 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -113.3 | 167.4 | -143.8 | -51.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 285 | F | 31.6 | Very low | 34.8 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | 179.1 | 156.5 | 119.5 | -100.4 | -73.2 | 0 | 0 | 0 | 111.6 | |||||
| 286 | I | 37.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 156.9 Ų | 156.9 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -120.7 | 146.6 | -173.7 | -60.2 | 172.5 | 0 | 0 | 0 | 110.3 | ||||
| 287 | P | 38.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -128 | 159.7 | 118.4 | 2.7 | 19.1 | 0 | 0 | 0 | 114 | |||||
| 288 | K | 36.5 | Very low | 34.6 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 164.6 | 166.3 | -56.1 | 174.3 | 77.1 | -155.2 | 0 | 109.1 | ||||
| 289 | E | 29.3 | Very low | 34.5 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | cis | -175.3 | 155.4 | 44.9 | -146.3 | 136.6 | -132.7 | 0 | 0 | 109.4 | ||||
| 290 | G | 31.8 | Very low | 34.4 | Very low | 76 Ų | 76 | 154.6 Ų | 154.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 139.4 | 139.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 291 | D | 30.7 | Very low | 33.4 | Very low | 162 Ų | 162 | 160 Ų | 160 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -84.2 | 169.7 | -168.4 | -89.7 | -49.6 | 0 | 0 | 0 | 116.6 | ||||
| 292 | D | 32.2 | Very low | 33.1 | Very low | 130 Ų | 130 | 161 Ų | 161 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | 105.9 | 119 | 141.6 | -91.3 | -14.2 | 0 | 0 | 0 | 123.3 | ||||
| 293 | F | 32.4 | Very low | 33.2 | Very low | 178 Ų | 178 | 164.8 Ų | 164.8 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | 63 | 130 | 151.5 | -72.2 | -73.1 | 0 | 0 | 0 | 124.6 | ||||
| 294 | L | 36.5 | Very low | 32.9 | Very low | 161 Ų | 161 | 161.5 Ų | 161.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | 105.8 | 129.7 | 151.1 | -66.5 | 167.9 | 0 | 0 | 0 | 121.7 | ||||
| 295 | R | 32.2 | Very low | 33.2 | Very low | 222 Ų | 222 | 164.5 Ų | 164.5 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | 69.3 | 107.4 | 152.2 | -84.4 | -170.1 | 172.4 | -147.6 | 1.2 | 122.5 | ||||
| 296 | R | 30.1 | Very low | 33.2 | Very low | 211 Ų | 211 | 160.3 Ų | 160.3 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | 65.7 | 104.6 | 117.2 | -161 | 179.2 | -162.6 | -159.8 | 6.7 | 119.9 | |||||
| 297 | S | 29.8 | Very low | 33 | Very low | 107 Ų | 107 | 160.2 Ų | 160.2 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | 56.2 | 119.7 | 139.7 | -50.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 298 | S | 31.1 | Very low | 32.7 | Very low | 120 Ų | 120 | 160.1 Ų | 160.1 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | -171.5 | 168.6 | 93.2 | 70.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 299 | S | 31.6 | Very low | 32.6 | Very low | 91 Ų | 91 | 158.1 Ų | 158.1 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -66.8 | 142.3 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 300 | R | 31.4 | Very low | 32.8 | Very low | 242 Ų | 242 | 156.3 Ų | 156.3 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | -164.9 | 147.3 | 110.5 | -99.6 | 159.1 | -158.2 | -105.6 | 4.4 | 112.9 | |||||
| 301 | R | 33.1 | Very low | 32.7 | Very low | 231 Ų | 231 | 156.5 Ų | 156.5 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -94.6 | 140 | 178.3 | -57.3 | 168.2 | -177.6 | 149.2 | -1.2 | 108.9 | ||||
| 302 | N | 30.6 | Very low | 32.9 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -125.8 | 150.1 | 156.2 | -90.5 | -26.8 | 0 | 0 | 0 | 109.9 | ||||
| 303 | R | 37.3 | Very low | 33 | Very low | 244 Ų | 244 | 155.5 Ų | 155.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -87.5 | 139.7 | -168.3 | -67.5 | 168.7 | 165.6 | 145.5 | -8.2 | 111.6 | ||||
| 304 | S | 30.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -141.4 | 119 | 147.9 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 305 | I | 42.9 | Very low | 33.9 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | trans | -41.3 | 140.7 | 153.3 | 32.9 | 170.1 | 0 | 0 | 0 | 113.5 | ||||
| 306 | S | 32.3 | Very low | 33.7 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -148.4 | 153.2 | 154.2 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 307 | N | 32.1 | Very low | 34 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | -92.4 | 156.2 | -165.7 | -114.2 | 14.6 | 0 | 0 | 0 | 112.9 | ||||
| 308 | T | 32.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 76% | 0.761 | 83% | 0.828 | S | S | * | * | trans | 42.5 | 114.5 | 145.2 | 61.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 309 | S | 33.8 | Very low | 34.2 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -151 | 139.5 | 130.3 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 310 | S | 34.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -76.5 | 142.1 | -179.4 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 311 | G | 30.1 | Very low | 34.5 | Very low | 80 Ų | 80 | 150.1 Ų | 150.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -150.5 | 80.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 312 | S | 35.2 | Very low | 34.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | trans | -74.2 | 138.5 | 179.7 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 313 | M | 32.6 | Very low | 34.9 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -157.3 | 119.9 | 140.9 | -90.7 | -53 | 99.7 | 0 | 0 | 110.4 | ||||
| 314 | S | 37 | Very low | 35 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -142.1 | 144 | 162.7 | -55.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 315 | P | 50.9 | Low | 35.3 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | -152.2 | 164.5 | 74.7 | 39.5 | -21.3 | 0 | 0 | 0 | 116.1 | |||||
| 316 | L | 28.2 | Very low | 35.6 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | -156.7 | 136.2 | 125 | -164.9 | 58 | 0 | 0 | 0 | 109.2 | |||||
| 317 | W | 36.3 | Very low | 36.5 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 76% | 0.758 | 81% | 0.809 | S | S | * | * | trans | -139.4 | 128.7 | -175.9 | 50.9 | -82.1 | 0 | 0 | 0 | 109.6 | ||||
| 318 | E | 31.8 | Very low | 37.2 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -135.3 | 136.9 | 159.7 | -77.4 | -168.2 | 154.4 | 0 | 0 | 107.6 | ||||
| 319 | G | 32.8 | Very low | 37.9 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 137.8 | 61.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F321 | G319-F321 PolarHBondContact O-N 3.36Š| ||
| 320 | N | 37 | Very low | 39 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -64.7 | 121.6 | 165 | -99.9 | 8.6 | 0 | 0 | 0 | 110.1 | ||||
| 321 | F | 33.9 | Very low | 39.5 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 95% | 0.952 | 82% | 0.818 | S | S | * | * | trans | -153.1 | 146.8 | 134.6 | -76.1 | -59.6 | 0 | 0 | 0 | 110.1 | G319 | G319-F321 PolarHBondContact O-N 3.36Š| ||
| 322 | S | 37.6 | Very low | 40.2 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -94.4 | 168.2 | -167 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 323 | S | 34.3 | Very low | 41.2 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | 102.1 | 88.2 | 158.1 | -167.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 324 | A | 39.7 | Very low | 42.4 | Very low | 79 Ų | 79 | 154.8 Ų | 154.8 | 65% | 0.653 | 83% | 0.829 | S | S | * | * | 74.7 | 135.9 | 120.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 325 | F | 36.9 | Very low | 43.6 | Very low | 217 Ų | 217 | 152.4 Ų | 152.4 | 95% | 0.952 | 82% | 0.822 | S | S | * | * | trans | 59.6 | 112.2 | 167.1 | -72.9 | -80.5 | 0 | 0 | 0 | 119 | ||||
| 326 | G | 49.3 | Very low | 44.2 | Very low | 73 Ų | 73 | 150.7 Ų | 150.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -86 | 146.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 327 | T | 50.5 | Low | 45.9 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -140 | 145.5 | 146.8 | 46.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 328 | L | 46.1 | Very low | 47.1 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -61.9 | 144.1 | -179.3 | -73.8 | 153.5 | 0 | 0 | 0 | 111.8 | R330 | L328-R330 PolarHBondContact O-N 3.4Š| ||
| 329 | P | 47.2 | Very low | 48.7 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 105.2 | 179.4 | 26.9 | -33.8 | 0 | 0 | 0 | 110.9 | K331 | P329-K331 PolarHBondContact O-N 3.23Š| ||
| 330 | R | 56.8 | Low | 50.1 | Low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -68.5 | 100.9 | 173.3 | -81.7 | -179.5 | 165.8 | 157.8 | -3.3 | 110.1 | L328 S332 | L328-R330 PolarHBondContact O-N 3.4Å; R330-S332 PolarHBondContact O-N 3.05Å | ||
| 331 | K | 44.8 | Very low | 51.4 | Low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -28.1 | 115.8 | 165.7 | -168.3 | 173.6 | -174.1 | 173.9 | 0 | 111.6 | P329 R333 | P329-K331 PolarHBondContact O-N 3.23Å; K331-R333 PolarHBondContact O-N 3.42Å | ||
| 332 | S | 45.6 | Very low | 52.8 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -61.9 | 106.8 | -175.6 | 47.2 | 0 | 0 | 0 | 0 | 111 | R330 K334 | R330-S332 PolarHBondContact O-N 3.05Å; S332-K334 PolarHBondContact O-N 3.41Å | ||
| 333 | R | 55.2 | Low | 54.2 | Low | 242 Ų | 242 | 140.1 Ų | 140.1 | 91% | 0.913 | 73% | 0.73 | S | S | * | * | trans | -70.3 | 105.3 | 178.6 | -148.8 | 178.9 | -166.5 | -174.3 | 4.5 | 107.4 | K331 G335 | K331-R333 PolarHBondContact O-N 3.42Å; R333-G335 PolarHBondContact O-N 2.91Å | ||
| 334 | K | 58.6 | Low | 55.6 | Low | 202 Ų | 202 | 142.6 Ų | 142.6 | 88% | 0.878 | 73% | 0.727 | S | S | * | * | trans | -44.5 | 126 | 172.7 | -85.8 | -177.6 | 172.8 | 178.9 | 0 | 108.7 | S332 S336 | S332-K334 PolarHBondContact O-N 3.41Å; K334-S336 PolarHBondContact O-N 3.04Å | ||
| 335 | G | 61.2 | Low | 56.7 | Low | 63 Ų | 63 | 142.9 Ų | 142.9 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -53.7 | 133.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | R333 V337 | R333-G335 PolarHBondContact O-N 2.91Å; G335-V337 PolarHBondContact O-N 3.09Å; G335-V337 VanDerWaalsContact O-N 3.15Å | ||
| 336 | S | 64.7 | Low | 57.5 | Low | 71 Ų | 71 | 138.6 Ų | 138.6 | 50% | 0.497 | 71% | 0.711 | S | S | . | * | trans | -58.3 | 122.7 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | K334 R338 K339 | K334-S336 PolarHBondContact O-N 3.04Å; S336-R338 PolarHBondContact O-N 3.38Å; S336-K339 WeakPolarHBondContact O-CB 3.37Å; S336-K339 PolarHBondContact O-N 3.29Å | ||
| 337 | V | 62.9 | Low | 58.2 | Low | 99 Ų | 99 | 138.4 Ų | 138.4 | 60% | 0.6 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -52 | -32 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | G335 K339 Q340 L341 | G335-V337 PolarHBondContact O-N 3.09Å; G335-V337 VanDerWaalsContact O-N 3.15Å; V337-K339 VanDerWaalsContact C-N 3.34Å; V337-K339 PolarHBondContact O-N 3.01Å; V337-Q340 PolarHBondContact O-N 2.95Å; V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.17Å; V337-L341 PolarHBondContact O-N 3.18Å |
| 338 | R | 63.1 | Low | 58.5 | Low | 189 Ų | 189 | 137 Ų | 137 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -54.1 | -43.2 | 172.1 | -169.2 | 176.1 | 178.3 | -177.9 | -0.8 | 112.9 | S336 Q340 L341 L342 | S336-R338 PolarHBondContact O-N 3.38Å; R338-Q340 VanDerWaalsContact C-N 3.26Å; R338-Q340 PolarHBondContact O-N 3.33Å; R338-L341 PolarHBondContact O-N 3.23Å; R338-L342 HydrophobicContact CG-CD1 4.2Å; R338-L342 WeakPolarHBondContact O-CB 3.41Å; R338-L342 WeakPolarHBondContact O-CG 3.39Å; R338-L342 PolarHBondContact O-N 3.03Å |
| 339 | K | 64.3 | Low | 58.9 | Low | 164 Ų | 164 | 135.8 Ų | 135.8 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.2 | -21.2 | 176.9 | -68.4 | -165.7 | 175.2 | -166.7 | 0 | 113.3 | S336 V337 | S336-K339 WeakPolarHBondContact O-CB 3.37Å; S336-K339 PolarHBondContact O-N 3.29Å; V337-K339 VanDerWaalsContact C-N 3.34Å; V337-K339 PolarHBondContact O-N 3.01Å |
| 340 | Q | 62.8 | Low | 59.1 | Low | 131 Ų | 131 | 139.5 Ų | 139.5 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -87.6 | -36.2 | 177.2 | -163.7 | 161 | -5.7 | 0 | 0 | 111.3 | V337 R338 F344 | V337-Q340 PolarHBondContact O-N 2.95Å; R338-Q340 VanDerWaalsContact C-N 3.26Å; R338-Q340 PolarHBondContact O-N 3.33Å; Q340-F344 WeakPolarHBondContact O-CD2 3.34Å; Q340-F344 VanDerWaalsContact O-CE2 3.25Å; Q340-F344 WeakPolarHBondContact O-CE2 3.32Å |
| 341 | L | 63.4 | Low | 58.6 | Low | 106 Ų | 106 | 131.8 Ų | 131.8 | 56% | 0.555 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 173.2 | -72.4 | 170 | 0 | 0 | 0 | 113 | V337 R338 K343 F344 | V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.17Å; V337-L341 PolarHBondContact O-N 3.18Å; R338-L341 PolarHBondContact O-N 3.23Å; L341-K343 PolarHBondContact O-N 3.31Å; L341-K343 VanDerWaalsContact O-N 3.16Å; L341-F344 PolarHBondContact O-N 3.05Å |
| 342 | L | 64 | Low | 58.6 | Low | 49 Ų | 49 | 129 Ų | 129 | 26% | 0.257 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -60.9 | -25.5 | -179.7 | -74.4 | 170.4 | 0 | 0 | 0 | 113.8 | R338 F344 I345 L348 | R338-L342 HydrophobicContact CG-CD1 4.2Å; R338-L342 WeakPolarHBondContact O-CB 3.41Å; R338-L342 WeakPolarHBondContact O-CG 3.39Å; R338-L342 PolarHBondContact O-N 3.03Å; L342-F344 PolarHBondContact O-N 2.9Å; L342-I345 PolarHBondContact O-N 3.49Å; L342-L348 HydrophobicContact CD2-CB 4.35Å; L342-L348 HydrophobicContact CD2-CD2 3.4Å; L342-L348 HydrophobicContact CD2-CG 4.44Å |
| 343 | K | 66.9 | Low | 58.9 | Low | 157 Ų | 157 | 131.9 Ų | 131.9 | 68% | 0.683 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -66 | -15.7 | 173.7 | -68.5 | -174.4 | 174.2 | -169.5 | 0 | 114 | L341 | L341-K343 PolarHBondContact O-N 3.31Å; L341-K343 VanDerWaalsContact O-N 3.16Å |
| 344 | F | 63.3 | Low | 58.7 | Low | 162 Ų | 162 | 129.5 Ų | 129.5 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -100.5 | 5.7 | 179.7 | -60.5 | -77.8 | 0 | 0 | 0 | 113.1 | Q340 L341 L342 P346 | Q340-F344 WeakPolarHBondContact O-CD2 3.34Å; Q340-F344 VanDerWaalsContact O-CE2 3.25Å; Q340-F344 WeakPolarHBondContact O-CE2 3.32Å; L341-F344 PolarHBondContact O-N 3.05Å; L342-F344 PolarHBondContact O-N 2.9Å; F344-P346 WeakPolarHBondContact O-CD 3.49Å |
| 345 | I | 63.3 | Low | 58.5 | Low | 85 Ų | 85 | 128.8 Ų | 128.8 | 44% | 0.436 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -116.8 | 95.2 | 177 | -54.3 | 177.2 | 0 | 0 | 0 | 108.6 | L342 G347 L348 | L342-I345 PolarHBondContact O-N 3.49Å; I345-G347 PolarHBondContact O-N 3.34Å; I345-L348 HydrophobicContact CB-CB 4.38Å; I345-L348 HydrophobicContact CG2-CB 4.07Å; I345-L348 HydrophobicContact CG2-CD1 4.46Å; I345-L348 PolarHBondContact O-N 3.37Å |
| 346 | P | 52.8 | Low | 57.9 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 134.5 | 174.3 | -23.6 | 34.3 | 0 | 0 | 0 | 110.9 | F344 | F344-P346 WeakPolarHBondContact O-CD 3.49Š|
| 347 | G | 63.8 | Low | 56.9 | Low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.5 | -22.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I345 H349 | I345-G347 PolarHBondContact O-N 3.34Å; G347-H349 PolarHBondContact O-N 3.28Å; G347-H349 VanDerWaalsContact O-N 3.13Å |
| 348 | L | 58.5 | Low | 55.9 | Low | 113 Ų | 113 | 141.4 Ų | 141.4 | 59% | 0.592 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 15.7 | -178.3 | -130.1 | 86.4 | 0 | 0 | 0 | 115 | L342 I345 | L342-L348 HydrophobicContact CD2-CB 4.35Å; L342-L348 HydrophobicContact CD2-CD2 3.4Å; L342-L348 HydrophobicContact CD2-CG 4.44Å; I345-L348 HydrophobicContact CB-CB 4.38Å; I345-L348 HydrophobicContact CG2-CB 4.07Å; I345-L348 HydrophobicContact CG2-CD1 4.46Å; I345-L348 PolarHBondContact O-N 3.37Å |
| 349 | H | 53.2 | Low | 54.9 | Low | 135 Ų | 135 | 145.4 Ų | 145.4 | 63% | 0.625 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -0.8 | -177.1 | -93.9 | -72.7 | 0 | 0 | 0 | 114.5 | G347 A351 | G347-H349 PolarHBondContact O-N 3.28Å; G347-H349 VanDerWaalsContact O-N 3.13Å; H349-A351 PolarHBondContact O-N 2.82Å |
| 350 | R | 52.5 | Low | 54.5 | Low | 203 Ų | 203 | 144.5 Ų | 144.5 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -84.1 | 105 | 175.9 | -152.1 | 174.7 | -164.6 | -121.6 | -0.3 | 109.7 | ||||
| 351 | A | 45.8 | Very low | 54 | Low | 83 Ų | 83 | 145.2 Ų | 145.2 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -63 | 134.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | H349 E353 | H349-A351 PolarHBondContact O-N 2.82Å; A351-E353 VanDerWaalsContact C-N 3.27Å; A351-E353 PolarHBondContact O-N 3.05Å | ||
| 352 | V | 44.2 | Very low | 53.5 | Low | 142 Ų | 142 | 147.4 Ų | 147.4 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -89.6 | 73.5 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | ||
| 353 | E | 52.9 | Low | 52.9 | Low | 177 Ų | 177 | 153.2 Ų | 153.2 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -139.6 | 154.2 | 158.2 | -69.1 | -167.7 | 176.8 | 0 | 0 | 107 | A351 | A351-E353 VanDerWaalsContact C-N 3.27Å; A351-E353 PolarHBondContact O-N 3.05Å | ||
| 354 | E | 50.8 | Low | 52 | Low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | 70.4 | 66.6 | -172.8 | -55.6 | -178.4 | 177.7 | 0 | 0 | 115.4 | ||||
| 355 | E | 53.4 | Low | 51.3 | Low | 188 Ų | 188 | 152.3 Ų | 152.3 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -109.7 | 71.9 | 144.9 | -171.2 | 168.8 | -117 | 0 | 0 | 109 | ||||
| 356 | E | 48.5 | Very low | 50.4 | Low | 184 Ų | 184 | 157.1 Ų | 157.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -151.6 | 141.9 | 160.8 | -159.9 | 169.6 | -159.8 | 0 | 0 | 112.3 | ||||
| 357 | S | 44.6 | Very low | 50.2 | Low | 95 Ų | 95 | 159.5 Ų | 159.5 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | 87 | 123 | 167 | 84.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 358 | R | 42.6 | Very low | 49.1 | Very low | 219 Ų | 219 | 166.9 Ų | 166.9 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | 76.5 | 118.4 | 162 | -47.1 | 179.4 | -166.1 | -155.6 | 0 | 115.1 | ||||
| 359 | F | 41.7 | Very low | 48.2 | Very low | 273 Ų | 273 | 171.8 Ų | 171.8 | 100% | 1.197 | 83% | 0.826 | S | S | * | * | cis | -134.1 | 0 | 11.7 | -92.3 | -89.5 | 0 | 0 | 0 | 111.7 |
Retrieved 359 of 359 residues in 47 ms
(Link to these results)